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 1jz5_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 ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.088 176.300 -0.353 0.000 0.893 13 R CA 0.000 55.964 56.100 -0.226 0.000 0.921 13 R CB 0.000 30.168 30.300 -0.219 0.000 0.687 14 R N 1.827 122.003 120.500 -0.541 0.000 3.225 14 R HA -0.176 4.180 4.340 0.027 0.000 0.245 14 R C -0.078 175.682 176.300 -0.901 0.000 0.928 14 R CA 0.823 56.227 56.100 -1.160 0.000 0.632 14 R CB -1.168 28.631 30.300 -0.835 0.000 1.038 14 R HN 0.262 nan 8.270 nan 0.000 0.461 15 D N -0.139 119.912 120.400 -0.581 0.000 2.228 15 D HA -0.201 4.456 4.640 0.027 0.000 0.203 15 D C 1.615 177.819 176.300 -0.160 0.000 0.988 15 D CA 1.849 55.609 54.000 -0.399 0.000 0.864 15 D CB -0.164 40.202 40.800 -0.723 0.000 0.928 15 D HN 0.741 nan 8.370 nan 0.000 0.469 16 W N 1.350 122.677 121.300 0.045 0.000 3.077 16 W HA 0.151 4.827 4.660 0.026 0.000 0.245 16 W C 0.388 177.008 176.519 0.168 0.000 1.316 16 W CA -0.175 57.293 57.345 0.205 0.000 1.537 16 W CB -0.308 29.319 29.460 0.278 0.000 1.131 16 W HN -0.168 nan 8.180 nan 0.000 0.695 17 E N 1.159 121.241 120.200 -0.197 0.000 3.385 17 E HA 0.063 4.430 4.350 0.027 0.000 0.206 17 E C -0.700 175.768 176.600 -0.221 0.000 0.997 17 E CA -0.234 56.090 56.400 -0.127 0.000 1.278 17 E CB -0.195 29.457 29.700 -0.080 0.000 1.165 17 E HN 0.034 nan 8.360 nan 0.000 0.452 18 N N 1.189 119.785 118.700 -0.173 0.000 2.629 18 N HA 0.125 4.881 4.740 0.027 0.000 0.277 18 N C -2.399 172.964 175.510 -0.245 0.000 1.188 18 N CA -1.928 50.978 53.050 -0.240 0.000 0.835 18 N CB 1.492 39.850 38.487 -0.215 0.000 1.420 18 N HN -0.169 nan 8.380 nan 0.000 0.542 19 P HA 0.086 nan 4.420 nan 0.000 0.234 19 P C 1.066 178.133 177.300 -0.390 0.000 1.167 19 P CA 0.529 63.302 63.100 -0.546 0.000 0.763 19 P CB 0.122 31.012 31.700 -1.350 0.000 0.835 20 G N -0.286 108.325 108.800 -0.315 0.000 2.623 20 G HA2 0.021 3.998 3.960 0.027 0.000 0.214 20 G HA3 0.021 3.998 3.960 0.027 0.000 0.214 20 G C 0.382 175.204 174.900 -0.130 0.000 1.138 20 G CA 0.167 45.138 45.100 -0.216 0.000 0.794 20 G HN 0.212 nan 8.290 nan 0.000 0.535 21 V N 2.081 121.932 119.914 -0.104 0.000 2.257 21 V HA 0.247 4.383 4.120 0.027 0.000 0.269 21 V C 1.017 177.161 176.094 0.085 0.000 1.040 21 V CA 0.224 62.512 62.300 -0.020 0.000 0.813 21 V CB 0.799 32.589 31.823 -0.054 0.000 1.065 21 V HN 0.347 nan 8.190 nan 0.000 0.457 22 T N 0.599 115.197 114.554 0.073 0.000 3.060 22 T HA 0.335 4.701 4.350 0.027 0.000 0.249 22 T C 0.328 175.086 174.700 0.097 0.000 1.079 22 T CA 0.156 62.312 62.100 0.092 0.000 1.013 22 T CB 0.193 69.069 68.868 0.014 0.000 0.975 22 T HN 0.700 nan 8.240 nan 0.000 0.518 23 Q N 0.075 119.983 119.800 0.179 0.000 2.776 23 Q HA 0.648 5.005 4.340 0.027 0.000 0.289 23 Q C -2.314 173.831 176.000 0.241 0.000 0.912 23 Q CA -1.060 54.842 55.803 0.165 0.000 0.789 23 Q CB 0.709 29.452 28.738 0.007 0.000 1.498 23 Q HN 0.219 nan 8.270 nan 0.000 0.408 24 L N 1.700 123.088 121.223 0.276 0.000 2.470 24 L HA 0.615 4.971 4.340 0.027 0.000 0.268 24 L C -0.618 176.380 176.870 0.214 0.000 0.964 24 L CA -0.935 54.067 54.840 0.270 0.000 0.839 24 L CB 1.967 44.296 42.059 0.450 0.000 1.276 24 L HN 0.850 nan 8.230 nan 0.000 0.403 25 N N 0.762 119.555 118.700 0.156 0.000 2.741 25 N HA -0.214 4.542 4.740 0.027 0.000 0.251 25 N C 0.148 175.728 175.510 0.117 0.000 1.112 25 N CA 0.818 53.949 53.050 0.135 0.000 0.750 25 N CB -0.855 37.686 38.487 0.090 0.000 1.119 25 N HN 0.659 nan 8.380 nan 0.000 0.561 26 R N 0.817 121.308 120.500 -0.015 0.000 2.441 26 R HA 0.423 4.779 4.340 0.027 0.000 0.284 26 R C 0.524 176.683 176.300 -0.234 0.000 1.070 26 R CA -0.374 55.505 56.100 -0.369 0.000 1.047 26 R CB 0.547 30.644 30.300 -0.339 0.000 1.016 26 R HN 0.133 nan 8.270 nan 0.000 0.477 27 L N 2.931 123.988 121.223 -0.277 0.000 2.466 27 L HA 0.341 4.697 4.340 0.027 0.000 0.257 27 L C 0.663 177.485 176.870 -0.080 0.000 1.189 27 L CA -0.608 54.167 54.840 -0.109 0.000 0.813 27 L CB 0.735 42.768 42.059 -0.044 0.000 1.118 27 L HN 0.762 nan 8.230 nan 0.000 0.471 28 A N 1.185 123.999 122.820 -0.009 0.000 2.466 28 A HA 0.482 4.818 4.320 0.027 0.000 0.238 28 A C 0.321 177.913 177.584 0.014 0.000 1.074 28 A CA 0.052 52.091 52.037 0.003 0.000 0.774 28 A CB 0.098 19.124 19.000 0.043 0.000 1.015 28 A HN 0.799 nan 8.150 nan 0.000 0.498 29 A N 1.222 124.003 122.820 -0.064 0.000 2.332 29 A HA 0.679 5.016 4.320 0.027 0.000 0.258 29 A C 0.065 177.557 177.584 -0.152 0.000 1.087 29 A CA 0.490 52.412 52.037 -0.191 0.000 0.802 29 A CB -0.058 18.830 19.000 -0.186 0.000 1.042 29 A HN 2.062 nan 8.150 nan 0.000 0.489 30 H N -2.182 116.737 119.070 -0.251 0.000 2.969 30 H HA 0.593 5.165 4.556 0.027 0.000 0.304 30 H C -3.466 171.555 175.328 -0.511 0.000 1.400 30 H CA -1.694 54.135 56.048 -0.365 0.000 1.182 30 H CB 0.008 29.483 29.762 -0.478 0.000 1.865 30 H HN 0.374 nan 8.280 nan 0.000 0.512 31 P HA 0.194 nan 4.420 nan 0.000 0.273 31 P C -2.568 174.535 177.300 -0.328 0.000 1.250 31 P CA -1.274 61.600 63.100 -0.376 0.000 0.793 31 P CB -0.266 31.131 31.700 -0.504 0.000 1.011 32 P HA 0.039 nan 4.420 nan 0.000 0.261 32 P C -0.771 176.687 177.300 0.263 0.000 1.183 32 P CA 1.108 64.217 63.100 0.015 0.000 0.761 32 P CB -0.118 31.636 31.700 0.091 0.000 0.785 33 F N 1.312 121.364 119.950 0.170 0.000 2.556 33 F HA 0.612 5.155 4.527 0.027 0.000 0.327 33 F C 0.986 176.723 175.800 -0.105 0.000 1.059 33 F CA -1.031 57.014 58.000 0.075 0.000 0.953 33 F CB 2.196 41.195 39.000 -0.001 0.000 1.227 33 F HN 0.215 nan 8.300 nan 0.000 0.478 34 A N 0.318 123.085 122.820 -0.089 0.000 2.664 34 A HA 0.239 4.575 4.320 0.027 0.000 0.222 34 A C 0.548 177.863 177.584 -0.448 0.000 1.320 34 A CA 0.376 52.128 52.037 -0.475 0.000 1.029 34 A CB -0.108 18.166 19.000 -1.210 0.000 1.318 34 A HN 0.734 nan 8.150 nan 0.000 0.589 35 S N 0.585 116.131 115.700 -0.257 0.000 3.524 35 S HA -0.149 4.337 4.470 0.027 0.000 0.377 35 S C -0.002 174.551 174.600 -0.078 0.000 0.949 35 S CA 0.411 58.515 58.200 -0.161 0.000 1.264 35 S CB -1.499 61.596 63.200 -0.174 0.000 0.918 35 S HN 0.461 nan 8.310 nan 0.000 0.517 36 W N 2.084 123.365 121.300 -0.031 0.000 2.158 36 W HA 0.235 4.911 4.660 0.026 0.000 0.339 36 W C 1.388 177.886 176.519 -0.034 0.000 1.294 36 W CA -0.542 56.790 57.345 -0.022 0.000 1.231 36 W CB 0.285 29.733 29.460 -0.020 0.000 1.143 36 W HN 0.369 nan 8.180 nan 0.000 0.571 37 R N 1.810 122.440 120.500 0.216 0.000 2.509 37 R HA 0.082 4.438 4.340 0.027 0.000 0.300 37 R C -0.046 176.307 176.300 0.090 0.000 0.985 37 R CA -0.097 56.069 56.100 0.109 0.000 1.092 37 R CB -0.060 30.273 30.300 0.055 0.000 1.237 37 R HN 0.373 nan 8.270 nan 0.000 0.546 38 N N 0.226 118.993 118.700 0.112 0.000 2.430 38 N HA 0.117 4.873 4.740 0.027 0.000 0.290 38 N C -0.166 175.310 175.510 -0.055 0.000 1.063 38 N CA -0.010 53.055 53.050 0.025 0.000 0.883 38 N CB 1.863 40.367 38.487 0.028 0.000 1.465 38 N HN -0.255 nan 8.380 nan 0.000 0.493 39 S N 2.359 118.006 115.700 -0.089 0.000 2.402 39 S HA -0.150 4.336 4.470 0.027 0.000 0.229 39 S C 1.412 175.843 174.600 -0.281 0.000 1.021 39 S CA 1.026 59.127 58.200 -0.165 0.000 0.974 39 S CB -0.015 63.118 63.200 -0.110 0.000 0.800 39 S HN 0.750 nan 8.310 nan 0.000 0.484 40 E N 1.802 121.859 120.200 -0.238 0.000 2.110 40 E HA -0.155 4.211 4.350 0.027 0.000 0.193 40 E C 1.775 178.160 176.600 -0.358 0.000 0.988 40 E CA 1.389 57.613 56.400 -0.294 0.000 0.804 40 E CB -0.232 29.349 29.700 -0.199 0.000 0.745 40 E HN 0.579 nan 8.360 nan 0.000 0.458 41 E N -0.243 119.755 120.200 -0.336 0.000 2.077 41 E HA -0.175 4.192 4.350 0.027 0.000 0.193 41 E C 2.017 178.059 176.600 -0.930 0.000 0.989 41 E CA 1.017 57.167 56.400 -0.416 0.000 0.800 41 E CB -0.227 29.346 29.700 -0.212 0.000 0.746 41 E HN 0.398 nan 8.360 nan 0.000 0.452 42 A N 1.466 123.524 122.820 -1.271 0.000 1.933 42 A HA -0.211 4.125 4.320 0.027 0.000 0.218 42 A C 2.089 179.085 177.584 -0.980 0.000 1.175 42 A CA 1.469 52.418 52.037 -1.813 0.000 0.628 42 A CB -0.447 17.938 19.000 -1.024 0.000 0.814 42 A HN 0.090 nan 8.150 nan 0.000 0.444 43 R N -0.171 119.932 120.500 -0.661 0.000 2.096 43 R HA -0.122 4.234 4.340 0.027 0.000 0.235 43 R C 1.780 177.828 176.300 -0.420 0.000 1.127 43 R CA 2.003 57.773 56.100 -0.550 0.000 0.968 43 R CB -0.350 29.505 30.300 -0.741 0.000 0.861 43 R HN 0.614 nan 8.270 nan 0.000 0.440 44 T N -3.015 111.306 114.554 -0.388 0.000 3.086 44 T HA 0.084 4.451 4.350 0.027 0.000 0.250 44 T C 0.145 174.767 174.700 -0.130 0.000 1.074 44 T CA 0.369 62.333 62.100 -0.228 0.000 0.988 44 T CB 0.192 68.949 68.868 -0.186 0.000 0.988 44 T HN 0.327 nan 8.240 nan 0.000 0.530 45 D N 0.716 121.008 120.400 -0.180 0.000 2.835 45 D HA -0.148 4.508 4.640 0.027 0.000 0.230 45 D C -0.015 176.416 176.300 0.219 0.000 1.130 45 D CA 0.358 54.401 54.000 0.073 0.000 0.738 45 D CB -1.294 39.583 40.800 0.129 0.000 1.090 45 D HN 0.567 nan 8.370 nan 0.000 0.433 46 R N 0.234 120.837 120.500 0.172 0.000 2.577 46 R HA 0.540 4.896 4.340 0.027 0.000 0.269 46 R C -2.036 174.527 176.300 0.439 0.000 1.084 46 R CA -1.339 54.899 56.100 0.230 0.000 1.163 46 R CB 0.313 30.684 30.300 0.118 0.000 1.100 46 R HN 0.046 nan 8.270 nan 0.000 0.547 47 P HA -0.062 nan 4.420 nan 0.000 0.266 47 P C -0.875 176.581 177.300 0.259 0.000 1.193 47 P CA 0.293 63.526 63.100 0.221 0.000 0.770 47 P CB 0.740 32.523 31.700 0.139 0.000 0.836 48 S N 1.334 117.062 115.700 0.048 0.000 2.454 48 S HA 0.135 4.621 4.470 0.027 0.000 0.306 48 S C 0.965 175.570 174.600 0.009 0.000 1.100 48 S CA -0.563 57.600 58.200 -0.062 0.000 1.087 48 S CB 0.587 63.440 63.200 -0.578 0.000 1.019 48 S HN 0.252 nan 8.310 nan 0.000 0.480 49 Q N 2.508 122.352 119.800 0.073 0.000 2.291 49 Q HA -0.081 4.275 4.340 0.027 0.000 0.206 49 Q C 0.898 176.995 176.000 0.160 0.000 0.976 49 Q CA 1.335 57.212 55.803 0.123 0.000 0.875 49 Q CB -0.048 28.764 28.738 0.122 0.000 0.927 49 Q HN 0.701 nan 8.270 nan 0.000 0.450 50 Q N -0.273 119.540 119.800 0.022 0.000 2.403 50 Q HA 0.095 4.451 4.340 0.027 0.000 0.203 50 Q C -0.209 175.814 176.000 0.039 0.000 0.932 50 Q CA 0.158 55.916 55.803 -0.075 0.000 0.945 50 Q CB 0.391 29.014 28.738 -0.192 0.000 1.045 50 Q HN 0.041 nan 8.270 nan 0.000 0.511 51 L N 0.523 121.789 121.223 0.072 0.000 2.377 51 L HA 0.445 4.801 4.340 0.027 0.000 0.270 51 L C -1.223 175.724 176.870 0.128 0.000 0.991 51 L CA -0.394 54.493 54.840 0.078 0.000 0.851 51 L CB 1.057 43.075 42.059 -0.069 0.000 1.218 51 L HN -0.138 nan 8.230 nan 0.000 0.420 52 R N 2.446 123.064 120.500 0.195 0.000 2.604 52 R HA 0.615 4.971 4.340 0.027 0.000 0.287 52 R C -0.518 175.806 176.300 0.040 0.000 0.970 52 R CA -0.704 55.462 56.100 0.109 0.000 0.946 52 R CB 1.995 32.333 30.300 0.064 0.000 1.127 52 R HN 0.663 nan 8.270 nan 0.000 0.473 53 S N 1.949 117.662 115.700 0.022 0.000 2.525 53 S HA 0.285 4.771 4.470 0.027 0.000 0.278 53 S C 0.646 175.243 174.600 -0.005 0.000 1.234 53 S CA -0.656 57.547 58.200 0.004 0.000 1.058 53 S CB 0.572 63.785 63.200 0.021 0.000 0.983 53 S HN 0.554 nan 8.310 nan 0.000 0.495 54 L N 3.453 124.671 121.223 -0.010 0.000 2.769 54 L HA 0.287 4.643 4.340 0.027 0.000 0.240 54 L C 0.238 177.258 176.870 0.250 0.000 1.163 54 L CA -0.337 54.526 54.840 0.037 0.000 0.962 54 L CB -0.329 41.696 42.059 -0.057 0.000 1.258 54 L HN 0.512 nan 8.230 nan 0.000 0.513 55 N N 1.100 119.885 118.700 0.142 0.000 2.415 55 N HA 0.469 5.225 4.740 0.027 0.000 0.248 55 N C 0.689 176.327 175.510 0.213 0.000 1.271 55 N CA 1.055 54.192 53.050 0.146 0.000 0.913 55 N CB 1.128 39.637 38.487 0.036 0.000 1.129 55 N HN 0.272 nan 8.380 nan 0.000 0.444 56 G N 0.148 109.081 108.800 0.222 0.000 2.225 56 G HA2 -0.093 3.883 3.960 0.027 0.000 0.203 56 G HA3 -0.093 3.883 3.960 0.027 0.000 0.203 56 G C -1.574 173.530 174.900 0.340 0.000 1.335 56 G CA -0.769 44.463 45.100 0.219 0.000 1.183 56 G HN 0.480 nan 8.290 nan 0.000 0.488 57 E N 0.003 120.377 120.200 0.290 0.000 2.200 57 E HA 0.494 4.860 4.350 0.027 0.000 0.283 57 E C -1.012 175.831 176.600 0.405 0.000 1.015 57 E CA -0.249 56.335 56.400 0.306 0.000 0.819 57 E CB 1.268 31.068 29.700 0.167 0.000 1.081 57 E HN 0.364 nan 8.360 nan 0.000 0.397 58 W N 1.519 122.906 121.300 0.145 0.000 2.894 58 W HA 0.401 5.078 4.660 0.027 0.000 0.345 58 W C 0.158 176.807 176.519 0.217 0.000 1.152 58 W CA -0.729 56.734 57.345 0.197 0.000 1.089 58 W CB 0.842 30.472 29.460 0.284 0.000 1.454 58 W HN 0.185 nan 8.180 nan 0.000 0.589 59 R N 1.449 122.224 120.500 0.459 0.000 2.474 59 R HA 0.612 4.968 4.340 0.027 0.000 0.295 59 R C -1.478 175.090 176.300 0.447 0.000 0.980 59 R CA -0.909 55.406 56.100 0.357 0.000 0.934 59 R CB 1.281 31.732 30.300 0.252 0.000 1.101 59 R HN 0.499 nan 8.270 nan 0.000 0.469 60 F N 0.254 120.259 119.950 0.092 0.000 2.608 60 F HA 0.623 5.166 4.527 0.027 0.000 0.309 60 F C -1.666 173.988 175.800 -0.243 0.000 1.103 60 F CA -0.589 57.332 58.000 -0.131 0.000 0.954 60 F CB 1.938 40.764 39.000 -0.290 0.000 1.267 60 F HN 0.610 nan 8.300 nan 0.000 0.444 61 A N 4.410 126.499 122.820 -1.219 0.000 2.422 61 A HA 0.600 4.936 4.320 0.027 0.000 0.302 61 A C -2.343 174.242 177.584 -1.665 0.000 1.041 61 A CA -0.541 50.816 52.037 -1.133 0.000 0.708 61 A CB 0.798 19.434 19.000 -0.606 0.000 1.257 61 A HN 0.961 nan 8.150 nan 0.000 0.414 62 W N 2.355 122.732 121.300 -1.539 0.000 2.438 62 W HA 0.745 5.421 4.660 0.027 0.000 0.324 62 W C -1.640 174.155 176.519 -1.207 0.000 1.119 62 W CA -0.241 56.353 57.345 -1.252 0.000 1.221 62 W CB 1.029 30.053 29.460 -0.726 0.000 1.253 62 W HN 0.512 nan 8.180 nan 0.000 0.555 63 F N 5.059 124.301 119.950 -1.179 0.000 2.613 63 F HA 0.369 4.912 4.527 0.027 0.000 0.314 63 F C -1.362 173.516 175.800 -1.538 0.000 1.075 63 F CA -2.022 55.427 58.000 -0.918 0.000 0.945 63 F CB 1.978 40.589 39.000 -0.647 0.000 1.310 63 F HN 0.185 nan 8.300 nan 0.000 0.467 64 P HA 0.176 nan 4.420 nan 0.000 0.235 64 P C -0.536 176.625 177.300 -0.232 0.000 1.177 64 P CA 0.683 63.519 63.100 -0.440 0.000 0.785 64 P CB 0.797 32.534 31.700 0.062 0.000 0.885 65 A N -0.351 122.346 122.820 -0.205 0.000 2.605 65 A HA 0.517 4.853 4.320 0.027 0.000 0.294 65 A C -2.423 175.049 177.584 -0.186 0.000 1.062 65 A CA -1.028 50.931 52.037 -0.130 0.000 0.682 65 A CB 0.496 19.486 19.000 -0.017 0.000 1.278 65 A HN -0.296 nan 8.150 nan 0.000 0.410 66 P HA -0.150 nan 4.420 nan 0.000 0.218 66 P C 0.780 177.980 177.300 -0.167 0.000 1.148 66 P CA 1.571 64.538 63.100 -0.222 0.000 0.822 66 P CB 0.264 31.807 31.700 -0.262 0.000 0.784 67 E N 0.125 120.280 120.200 -0.075 0.000 2.204 67 E HA -0.075 4.291 4.350 0.027 0.000 0.195 67 E C 2.043 178.561 176.600 -0.137 0.000 0.990 67 E CA 1.321 57.686 56.400 -0.058 0.000 0.821 67 E CB -0.937 28.763 29.700 0.000 0.000 0.750 67 E HN 0.248 nan 8.360 nan 0.000 0.477 68 A N 0.346 123.049 122.820 -0.195 0.000 2.238 68 A HA 0.100 4.436 4.320 0.027 0.000 0.208 68 A C 0.594 177.831 177.584 -0.579 0.000 1.177 68 A CA -0.091 51.802 52.037 -0.240 0.000 0.804 68 A CB 0.197 19.139 19.000 -0.097 0.000 0.823 68 A HN 0.026 nan 8.150 nan 0.000 0.482 69 V N 2.655 122.152 119.914 -0.696 0.000 2.488 69 V HA 0.233 4.369 4.120 0.027 0.000 0.277 69 V C -2.202 173.556 176.094 -0.561 0.000 1.046 69 V CA -1.559 60.124 62.300 -1.029 0.000 0.986 69 V CB 0.848 32.157 31.823 -0.857 0.000 0.989 69 V HN 0.300 nan 8.190 nan 0.000 0.475 70 P HA 0.265 nan 4.420 nan 0.000 0.276 70 P C 0.370 177.605 177.300 -0.109 0.000 1.235 70 P CA -0.326 62.644 63.100 -0.218 0.000 0.772 70 P CB 1.160 32.784 31.700 -0.128 0.000 0.871 71 E N 1.435 121.585 120.200 -0.083 0.000 2.171 71 E HA -0.208 4.158 4.350 0.027 0.000 0.197 71 E C 1.969 178.544 176.600 -0.041 0.000 0.997 71 E CA 1.959 58.319 56.400 -0.067 0.000 0.810 71 E CB -0.480 29.184 29.700 -0.060 0.000 0.738 71 E HN 0.579 nan 8.360 nan 0.000 0.467 72 S N -0.263 115.430 115.700 -0.012 0.000 2.380 72 S HA -0.273 4.214 4.470 0.027 0.000 0.229 72 S C 1.884 176.505 174.600 0.035 0.000 1.043 72 S CA 1.232 59.436 58.200 0.007 0.000 1.038 72 S CB -0.991 62.225 63.200 0.026 0.000 0.872 72 S HN 0.600 nan 8.310 nan 0.000 0.456 73 W N 2.222 123.430 121.300 -0.155 0.000 2.364 73 W HA 0.049 4.725 4.660 0.027 0.000 0.281 73 W C 1.751 178.155 176.519 -0.193 0.000 1.219 73 W CA 0.972 58.224 57.345 -0.154 0.000 1.220 73 W CB -0.306 29.045 29.460 -0.181 0.000 1.127 73 W HN 0.279 nan 8.180 nan 0.000 0.556 74 L N 0.151 121.173 121.223 -0.334 0.000 2.141 74 L HA -0.147 4.209 4.340 0.027 0.000 0.209 74 L C 2.197 178.837 176.870 -0.385 0.000 1.094 74 L CA 1.688 56.166 54.840 -0.603 0.000 0.763 74 L CB -0.614 41.141 42.059 -0.506 0.000 0.908 74 L HN -0.021 nan 8.230 nan 0.000 0.437 75 E N -1.610 118.450 120.200 -0.234 0.000 2.201 75 E HA 0.012 4.378 4.350 0.027 0.000 0.193 75 E C 0.110 176.632 176.600 -0.129 0.000 0.957 75 E CA 0.173 56.485 56.400 -0.146 0.000 0.858 75 E CB 0.638 30.287 29.700 -0.085 0.000 0.816 75 E HN 0.290 nan 8.360 nan 0.000 0.475 76 C N 0.488 119.722 119.300 -0.111 0.000 2.712 76 C HA 0.421 4.897 4.460 0.027 0.000 0.308 76 C C -0.789 174.187 174.990 -0.024 0.000 1.201 76 C CA -1.128 57.854 59.018 -0.061 0.000 1.554 76 C CB 0.890 28.616 27.740 -0.023 0.000 2.117 76 C HN 0.423 nan 8.230 nan 0.000 0.480 77 D N 2.400 122.801 120.400 0.002 0.000 2.472 77 D HA 0.208 4.864 4.640 0.027 0.000 0.237 77 D C -0.364 176.016 176.300 0.133 0.000 1.141 77 D CA 0.473 54.520 54.000 0.078 0.000 0.875 77 D CB 0.591 41.427 40.800 0.060 0.000 1.192 77 D HN 0.526 nan 8.370 nan 0.000 0.450 78 L N 5.604 126.959 121.223 0.218 0.000 2.331 78 L HA 0.252 4.608 4.340 0.027 0.000 0.278 78 L C -1.152 175.781 176.870 0.105 0.000 1.106 78 L CA -1.415 53.524 54.840 0.166 0.000 0.824 78 L CB 1.207 43.372 42.059 0.176 0.000 1.142 78 L HN 0.544 nan 8.230 nan 0.000 0.443 79 P HA -0.127 nan 4.420 nan 0.000 0.223 79 P C 0.619 177.949 177.300 0.051 0.000 1.151 79 P CA 0.975 64.109 63.100 0.056 0.000 0.787 79 P CB 0.239 31.964 31.700 0.042 0.000 0.788 80 E N 0.061 120.289 120.200 0.046 0.000 2.427 80 E HA 0.143 4.509 4.350 0.027 0.000 0.196 80 E C 1.102 177.715 176.600 0.022 0.000 1.028 80 E CA 0.098 56.514 56.400 0.026 0.000 0.864 80 E CB -0.785 28.920 29.700 0.008 0.000 0.813 80 E HN 0.192 nan 8.360 nan 0.000 0.514 81 A N 1.504 124.347 122.820 0.039 0.000 2.507 81 A HA 0.085 4.421 4.320 0.027 0.000 0.235 81 A C -0.076 177.564 177.584 0.095 0.000 1.070 81 A CA -0.130 51.934 52.037 0.046 0.000 0.768 81 A CB 0.247 19.301 19.000 0.091 0.000 1.011 81 A HN -0.031 nan 8.150 nan 0.000 0.502 82 D N 0.086 120.577 120.400 0.151 0.000 2.326 82 D HA 0.490 5.147 4.640 0.027 0.000 0.251 82 D C -0.379 176.036 176.300 0.192 0.000 1.023 82 D CA 0.037 54.142 54.000 0.175 0.000 0.966 82 D CB 1.129 42.075 40.800 0.244 0.000 1.156 82 D HN 0.399 nan 8.370 nan 0.000 0.494 83 T N 0.525 115.168 114.554 0.149 0.000 2.771 83 T HA 0.509 4.875 4.350 0.027 0.000 0.291 83 T C 0.161 174.946 174.700 0.141 0.000 0.954 83 T CA -0.530 61.665 62.100 0.158 0.000 1.045 83 T CB 0.594 69.531 68.868 0.115 0.000 0.917 83 T HN 0.265 nan 8.240 nan 0.000 0.484 84 V N 1.152 121.180 119.914 0.189 0.000 3.160 84 V HA 0.792 4.928 4.120 0.027 0.000 0.310 84 V C -0.320 175.881 176.094 0.178 0.000 1.181 84 V CA -1.080 61.279 62.300 0.099 0.000 1.047 84 V CB 1.630 33.512 31.823 0.099 0.000 1.068 84 V HN 0.506 nan 8.190 nan 0.000 0.441 85 V N 1.383 121.374 119.914 0.129 0.000 2.607 85 V HA 0.587 4.723 4.120 0.027 0.000 0.289 85 V C -0.120 176.064 176.094 0.150 0.000 1.053 85 V CA -0.110 62.281 62.300 0.152 0.000 0.996 85 V CB 1.548 33.425 31.823 0.089 0.000 0.995 85 V HN 0.751 nan 8.190 nan 0.000 0.476 86 V N 6.728 126.646 119.914 0.008 0.000 2.638 86 V HA 0.455 4.591 4.120 0.027 0.000 0.306 86 V C -2.361 173.608 176.094 -0.208 0.000 1.052 86 V CA -1.637 60.516 62.300 -0.246 0.000 0.885 86 V CB 2.556 33.859 31.823 -0.866 0.000 0.999 86 V HN 0.758 nan 8.190 nan 0.000 0.424 87 P HA 0.473 nan 4.420 nan 0.000 0.277 87 P C -0.813 176.415 177.300 -0.121 0.000 1.240 87 P CA -0.112 62.859 63.100 -0.215 0.000 0.798 87 P CB 1.389 32.975 31.700 -0.190 0.000 0.979 88 S N 0.437 116.077 115.700 -0.100 0.000 2.615 88 S HA 0.410 4.896 4.470 0.027 0.000 0.268 88 S C -1.213 173.323 174.600 -0.108 0.000 1.146 88 S CA -1.034 57.089 58.200 -0.128 0.000 0.818 88 S CB 0.552 63.605 63.200 -0.246 0.000 1.111 88 S HN 0.344 nan 8.310 nan 0.000 0.465 89 N N 1.078 119.649 118.700 -0.215 0.000 2.444 89 N HA 0.389 5.145 4.740 0.027 0.000 0.262 89 N C 0.490 175.831 175.510 -0.282 0.000 0.974 89 N CA -0.849 52.044 53.050 -0.262 0.000 0.933 89 N CB 0.669 38.965 38.487 -0.318 0.000 1.137 89 N HN 0.843 nan 8.380 nan 0.000 0.498 90 W N 2.716 123.887 121.300 -0.215 0.000 2.387 90 W HA -0.128 4.548 4.660 0.027 0.000 0.272 90 W C 0.985 177.483 176.519 -0.035 0.000 1.224 90 W CA 0.773 57.997 57.345 -0.202 0.000 1.210 90 W CB -0.342 29.024 29.460 -0.157 0.000 1.125 90 W HN 0.501 nan 8.180 nan 0.000 0.572 91 Q N 0.328 120.109 119.800 -0.031 0.000 2.167 91 Q HA -0.114 4.242 4.340 0.027 0.000 0.202 91 Q C 2.156 178.092 176.000 -0.107 0.000 0.970 91 Q CA 1.732 57.508 55.803 -0.045 0.000 0.855 91 Q CB -0.574 28.012 28.738 -0.253 0.000 0.911 91 Q HN 0.230 nan 8.270 nan 0.000 0.438 92 M N -0.712 118.779 119.600 -0.181 0.000 2.630 92 M HA -0.050 4.446 4.480 0.027 0.000 0.254 92 M C 0.567 176.895 176.300 0.046 0.000 1.092 92 M CA 1.356 56.568 55.300 -0.146 0.000 1.087 92 M CB -0.573 31.918 32.600 -0.182 0.000 1.453 92 M HN 0.371 nan 8.290 nan 0.000 0.509 93 H N -1.342 117.743 119.070 0.026 0.000 2.586 93 H HA 0.311 4.883 4.556 0.027 0.000 0.273 93 H C 1.333 176.562 175.328 -0.165 0.000 0.997 93 H CA 0.153 56.199 56.048 -0.003 0.000 1.177 93 H CB 0.552 30.396 29.762 0.136 0.000 1.471 93 H HN 0.522 nan 8.280 nan 0.000 0.538 94 G N 0.544 109.348 108.800 0.006 0.000 2.176 94 G HA2 -0.367 3.609 3.960 0.027 0.000 0.253 94 G HA3 -0.367 3.609 3.960 0.027 0.000 0.253 94 G C 0.445 175.219 174.900 -0.210 0.000 0.979 94 G CA 0.334 45.362 45.100 -0.120 0.000 0.641 94 G HN 0.464 nan 8.290 nan 0.000 0.530 95 Y N 1.662 121.964 120.300 0.004 0.000 2.293 95 Y HA 0.259 4.825 4.550 0.027 0.000 0.291 95 Y C 1.659 177.329 175.900 -0.384 0.000 1.137 95 Y CA 1.585 59.562 58.100 -0.204 0.000 1.202 95 Y CB 0.227 38.611 38.460 -0.126 0.000 0.990 95 Y HN 0.629 nan 8.280 nan 0.000 0.537 96 D N -1.637 118.846 120.400 0.137 0.000 2.615 96 D HA 0.494 5.150 4.640 0.027 0.000 0.267 96 D C -1.208 175.186 176.300 0.156 0.000 1.236 96 D CA -0.884 53.207 54.000 0.151 0.000 0.839 96 D CB 0.896 41.909 40.800 0.355 0.000 1.380 96 D HN -0.048 nan 8.370 nan 0.000 0.433 97 A N 0.327 123.241 122.820 0.158 0.000 2.310 97 A HA 0.706 5.042 4.320 0.027 0.000 0.299 97 A C -2.336 175.278 177.584 0.050 0.000 1.147 97 A CA -1.224 50.877 52.037 0.107 0.000 0.818 97 A CB 0.191 19.319 19.000 0.213 0.000 1.096 97 A HN 0.564 nan 8.150 nan 0.000 0.495 98 P HA 0.418 nan 4.420 nan 0.000 0.278 98 P C -0.889 176.573 177.300 0.271 0.000 1.238 98 P CA 0.118 63.156 63.100 -0.103 0.000 0.794 98 P CB 0.768 32.135 31.700 -0.556 0.000 0.955 99 I N 2.640 123.464 120.570 0.423 0.000 2.433 99 I HA 0.264 4.450 4.170 0.027 0.000 0.292 99 I C -0.572 175.768 176.117 0.372 0.000 1.001 99 I CA -1.011 60.547 61.300 0.429 0.000 1.119 99 I CB 1.686 39.872 38.000 0.310 0.000 1.289 99 I HN 0.307 nan 8.210 nan 0.000 0.438 100 Y N 5.904 126.179 120.300 -0.042 0.000 2.478 100 Y HA 0.501 5.067 4.550 0.026 0.000 0.329 100 Y C -0.436 175.327 175.900 -0.227 0.000 0.967 100 Y CA -0.682 57.126 58.100 -0.487 0.000 1.255 100 Y CB 1.210 38.914 38.460 -1.261 0.000 1.103 100 Y HN 0.523 nan 8.280 nan 0.000 0.497 101 T N 5.255 119.355 114.554 -0.757 0.000 2.886 101 T HA 0.250 4.616 4.350 0.027 0.000 0.292 101 T C 0.295 174.570 174.700 -0.708 0.000 1.012 101 T CA -0.572 61.095 62.100 -0.722 0.000 0.982 101 T CB 1.019 69.687 68.868 -0.334 0.000 1.018 101 T HN 0.774 nan 8.240 nan 0.000 0.451 102 N N 3.243 121.549 118.700 -0.658 0.000 2.187 102 N HA 0.016 4.772 4.740 0.027 0.000 0.190 102 N C 1.502 176.801 175.510 -0.352 0.000 1.052 102 N CA 1.718 54.554 53.050 -0.357 0.000 0.863 102 N CB -0.603 37.728 38.487 -0.259 0.000 1.041 102 N HN 0.390 nan 8.380 nan 0.000 0.447 103 V N 0.070 119.702 119.914 -0.470 0.000 2.581 103 V HA 0.132 4.268 4.120 0.027 0.000 0.240 103 V C 0.387 176.199 176.094 -0.471 0.000 1.054 103 V CA 0.851 62.794 62.300 -0.593 0.000 1.076 103 V CB -0.605 30.736 31.823 -0.804 0.000 0.748 103 V HN 0.314 nan 8.190 nan 0.000 0.474 104 T N 1.115 115.453 114.554 -0.360 0.000 2.867 104 T HA 0.161 4.527 4.350 0.027 0.000 0.297 104 T C -0.366 174.219 174.700 -0.192 0.000 0.989 104 T CA 0.221 62.182 62.100 -0.233 0.000 1.159 104 T CB -0.202 68.556 68.868 -0.183 0.000 0.928 104 T HN 0.175 nan 8.240 nan 0.000 0.538 105 Y N 4.736 124.944 120.300 -0.152 0.000 2.683 105 Y HA 0.097 4.663 4.550 0.026 0.000 0.340 105 Y C -0.759 175.020 175.900 -0.202 0.000 1.245 105 Y CA -1.611 56.389 58.100 -0.168 0.000 1.485 105 Y CB 0.397 38.749 38.460 -0.180 0.000 1.328 105 Y HN 0.523 nan 8.280 nan 0.000 0.603 106 P HA -0.018 nan 4.420 nan 0.000 0.242 106 P C -0.358 176.726 177.300 -0.360 0.000 1.197 106 P CA 1.080 64.081 63.100 -0.165 0.000 0.765 106 P CB -0.054 31.582 31.700 -0.106 0.000 0.936 107 I N -5.313 115.017 120.570 -0.400 0.000 3.002 107 I HA 0.493 4.679 4.170 0.027 0.000 0.310 107 I C -0.541 175.439 176.117 -0.230 0.000 1.087 107 I CA -1.241 59.782 61.300 -0.462 0.000 1.017 107 I CB 1.732 39.269 38.000 -0.771 0.000 1.226 107 I HN -0.463 nan 8.210 nan 0.000 0.443 108 T N 2.824 117.288 114.554 -0.151 0.000 2.934 108 T HA 0.140 4.506 4.350 0.027 0.000 0.306 108 T C 0.215 174.895 174.700 -0.034 0.000 1.042 108 T CA -0.240 61.824 62.100 -0.059 0.000 1.145 108 T CB 0.586 69.444 68.868 -0.016 0.000 0.982 108 T HN 0.386 nan 8.240 nan 0.000 0.544 109 V N 4.810 124.720 119.914 -0.007 0.000 2.381 109 V HA 0.234 4.371 4.120 0.027 0.000 0.257 109 V C 0.668 176.812 176.094 0.083 0.000 1.057 109 V CA -0.143 62.175 62.300 0.029 0.000 1.013 109 V CB -0.289 31.538 31.823 0.007 0.000 1.069 109 V HN 0.898 nan 8.190 nan 0.000 0.484 110 N N 6.087 124.896 118.700 0.181 0.000 2.805 110 N HA 0.228 4.984 4.740 0.027 0.000 0.216 110 N C -3.007 172.588 175.510 0.143 0.000 1.447 110 N CA -1.050 52.095 53.050 0.157 0.000 0.785 110 N CB 1.573 40.191 38.487 0.219 0.000 1.458 110 N HN 0.270 nan 8.380 nan 0.000 0.547 111 P HA 0.261 nan 4.420 nan 0.000 0.271 111 P C -2.306 174.756 177.300 -0.396 0.000 1.216 111 P CA -0.797 61.919 63.100 -0.641 0.000 0.776 111 P CB 0.787 31.915 31.700 -0.954 0.000 0.881 112 P HA 0.240 nan 4.420 nan 0.000 0.266 112 P C -0.313 176.862 177.300 -0.208 0.000 1.561 112 P CA -0.395 62.477 63.100 -0.380 0.000 1.089 112 P CB 0.029 31.492 31.700 -0.396 0.000 1.534 113 F N 1.086 121.144 119.950 0.180 0.000 2.406 113 F HA 0.266 4.810 4.527 0.028 0.000 0.327 113 F C 1.437 177.400 175.800 0.273 0.000 1.153 113 F CA -0.472 57.640 58.000 0.187 0.000 1.218 113 F CB 0.813 39.876 39.000 0.104 0.000 1.215 113 F HN -0.182 nan 8.300 nan 0.000 0.570 114 V N -1.074 119.117 119.914 0.463 0.000 3.141 114 V HA 0.665 4.802 4.120 0.027 0.000 0.312 114 V C -2.841 173.415 176.094 0.269 0.000 1.157 114 V CA -2.824 59.666 62.300 0.316 0.000 1.041 114 V CB 1.361 33.426 31.823 0.403 0.000 1.071 114 V HN 0.438 nan 8.190 nan 0.000 0.441 115 P HA 0.263 nan 4.420 nan 0.000 0.269 115 P C 0.930 178.367 177.300 0.228 0.000 1.215 115 P CA 0.331 63.527 63.100 0.159 0.000 0.780 115 P CB 0.593 32.362 31.700 0.115 0.000 0.898 116 T N -2.086 112.573 114.554 0.176 0.000 2.985 116 T HA -0.046 4.320 4.350 0.027 0.000 0.266 116 T C 0.503 175.305 174.700 0.170 0.000 1.076 116 T CA 0.682 62.892 62.100 0.183 0.000 1.135 116 T CB -0.505 68.440 68.868 0.127 0.000 0.890 116 T HN 0.361 nan 8.240 nan 0.000 0.480 117 E N 2.706 123.006 120.200 0.167 0.000 1.932 117 E HA 0.252 4.619 4.350 0.027 0.000 0.275 117 E C -0.619 176.121 176.600 0.233 0.000 1.159 117 E CA -0.374 56.127 56.400 0.169 0.000 0.905 117 E CB 0.086 29.891 29.700 0.175 0.000 1.059 117 E HN 0.216 nan 8.360 nan 0.000 0.400 118 N N 4.415 123.224 118.700 0.182 0.000 2.524 118 N HA 0.248 5.004 4.740 0.027 0.000 0.261 118 N C -2.832 172.688 175.510 0.017 0.000 0.998 118 N CA -2.619 50.574 53.050 0.238 0.000 0.915 118 N CB 1.144 39.767 38.487 0.228 0.000 1.187 118 N HN 0.030 nan 8.380 nan 0.000 0.507 119 P HA 0.015 nan 4.420 nan 0.000 0.260 119 P C -0.833 176.323 177.300 -0.240 0.000 1.172 119 P CA 0.496 63.490 63.100 -0.176 0.000 0.760 119 P CB 0.327 32.221 31.700 0.324 0.000 0.773 120 T N 2.838 116.991 114.554 -0.668 0.000 2.812 120 T HA 0.587 4.954 4.350 0.027 0.000 0.282 120 T C 0.184 174.348 174.700 -0.894 0.000 0.990 120 T CA -0.566 61.214 62.100 -0.534 0.000 0.960 120 T CB 1.628 70.247 68.868 -0.415 0.000 0.948 120 T HN 0.338 nan 8.240 nan 0.000 0.438 121 G N 1.026 109.370 108.800 -0.760 0.000 2.437 121 G HA2 0.475 4.451 3.960 0.027 0.000 0.315 121 G HA3 0.475 4.451 3.960 0.027 0.000 0.315 121 G C -0.254 174.366 174.900 -0.466 0.000 1.210 121 G CA -0.377 44.144 45.100 -0.965 0.000 0.943 121 G HN 0.873 nan 8.290 nan 0.000 0.471 122 C N 3.469 122.288 119.300 -0.801 0.000 2.168 122 C HA 0.413 4.890 4.460 0.027 0.000 0.333 122 C C -0.394 174.553 174.990 -0.071 0.000 1.106 122 C CA -0.917 57.808 59.018 -0.488 0.000 1.574 122 C CB -2.058 25.027 27.740 -1.090 0.000 2.055 122 C HN 0.610 nan 8.230 nan 0.000 0.473 123 Y N 1.950 122.515 120.300 0.441 0.000 2.387 123 Y HA 0.598 5.164 4.550 0.027 0.000 0.330 123 Y C 0.869 177.192 175.900 0.706 0.000 1.133 123 Y CA -0.089 58.384 58.100 0.622 0.000 1.152 123 Y CB 1.335 40.167 38.460 0.620 0.000 1.215 123 Y HN 0.653 nan 8.280 nan 0.000 0.466 124 S N 2.298 118.439 115.700 0.736 0.000 2.579 124 S HA 0.810 5.296 4.470 0.027 0.000 0.272 124 S C -1.907 172.732 174.600 0.065 0.000 1.141 124 S CA -0.835 57.581 58.200 0.360 0.000 0.843 124 S CB 2.200 65.501 63.200 0.168 0.000 1.122 124 S HN 0.565 nan 8.310 nan 0.000 0.468 125 L N 0.873 121.957 121.223 -0.232 0.000 2.493 125 L HA 0.706 5.062 4.340 0.027 0.000 0.265 125 L C -1.025 175.766 176.870 -0.131 0.000 0.954 125 L CA 0.093 54.644 54.840 -0.483 0.000 0.844 125 L CB 2.286 43.535 42.059 -1.350 0.000 1.302 125 L HN 0.906 nan 8.230 nan 0.000 0.405 126 T N 5.860 120.373 114.554 -0.069 0.000 2.749 126 T HA 0.699 5.066 4.350 0.027 0.000 0.287 126 T C -0.789 173.949 174.700 0.063 0.000 0.970 126 T CA 0.052 62.151 62.100 -0.002 0.000 0.980 126 T CB 0.035 68.875 68.868 -0.046 0.000 0.924 126 T HN 0.445 nan 8.240 nan 0.000 0.456 127 F N 1.149 120.997 119.950 -0.170 0.000 2.626 127 F HA 0.735 5.278 4.527 0.027 0.000 0.311 127 F C -0.699 175.018 175.800 -0.138 0.000 1.088 127 F CA -1.560 56.341 58.000 -0.164 0.000 0.949 127 F CB 1.389 40.271 39.000 -0.197 0.000 1.322 127 F HN 0.341 nan 8.300 nan 0.000 0.461 128 N N 0.695 119.327 118.700 -0.114 0.000 2.509 128 N HA 0.623 5.380 4.740 0.027 0.000 0.287 128 N C -1.839 173.527 175.510 -0.240 0.000 1.121 128 N CA -0.379 52.534 53.050 -0.229 0.000 0.977 128 N CB 1.865 40.271 38.487 -0.134 0.000 1.167 128 N HN 0.639 nan 8.380 nan 0.000 0.476 129 V N 2.034 121.775 119.914 -0.288 0.000 2.638 129 V HA 0.257 4.393 4.120 0.027 0.000 0.306 129 V C -0.599 175.365 176.094 -0.216 0.000 1.052 129 V CA -0.900 61.237 62.300 -0.272 0.000 0.885 129 V CB 1.525 33.236 31.823 -0.187 0.000 0.999 129 V HN 0.777 nan 8.190 nan 0.000 0.424 130 D N 2.215 122.451 120.400 -0.273 0.000 2.302 130 D HA 0.209 4.865 4.640 0.027 0.000 0.248 130 D C 1.092 177.394 176.300 0.003 0.000 1.094 130 D CA -0.140 53.786 54.000 -0.123 0.000 0.897 130 D CB 1.512 42.248 40.800 -0.106 0.000 1.200 130 D HN 0.658 nan 8.370 nan 0.000 0.429 131 E N 1.551 121.763 120.200 0.020 0.000 2.171 131 E HA -0.228 4.139 4.350 0.027 0.000 0.197 131 E C 1.646 178.309 176.600 0.106 0.000 0.997 131 E CA 1.779 58.212 56.400 0.056 0.000 0.810 131 E CB -0.325 29.394 29.700 0.031 0.000 0.738 131 E HN 0.451 nan 8.360 nan 0.000 0.467 132 S N -1.137 114.637 115.700 0.124 0.000 2.399 132 S HA -0.163 4.323 4.470 0.027 0.000 0.231 132 S C 1.789 176.479 174.600 0.151 0.000 1.022 132 S CA 1.011 59.288 58.200 0.129 0.000 0.983 132 S CB -0.834 62.443 63.200 0.127 0.000 0.803 132 S HN 0.389 nan 8.310 nan 0.000 0.480 133 W N 1.642 122.873 121.300 -0.115 0.000 2.467 133 W HA 0.370 5.046 4.660 0.027 0.000 0.275 133 W C 1.914 178.478 176.519 0.075 0.000 1.239 133 W CA -0.080 57.178 57.345 -0.145 0.000 1.266 133 W CB -0.455 28.994 29.460 -0.019 0.000 1.112 133 W HN 0.311 nan 8.180 nan 0.000 0.576 134 L N -0.907 120.490 121.223 0.290 0.000 2.513 134 L HA 0.076 4.432 4.340 0.027 0.000 0.222 134 L C 2.137 179.095 176.870 0.147 0.000 1.096 134 L CA 0.353 55.322 54.840 0.214 0.000 0.857 134 L CB -0.656 41.498 42.059 0.157 0.000 1.026 134 L HN -0.120 nan 8.230 nan 0.000 0.469 135 Q N 0.306 120.179 119.800 0.122 0.000 2.167 135 Q HA -0.024 4.332 4.340 0.027 0.000 0.202 135 Q C 0.130 176.184 176.000 0.090 0.000 0.970 135 Q CA 1.090 56.944 55.803 0.085 0.000 0.855 135 Q CB 0.549 29.324 28.738 0.062 0.000 0.911 135 Q HN 0.283 nan 8.270 nan 0.000 0.438 136 E N -1.888 118.387 120.200 0.125 0.000 2.408 136 E HA 0.507 4.873 4.350 0.027 0.000 0.275 136 E C -0.376 176.349 176.600 0.207 0.000 0.935 136 E CA 0.146 56.621 56.400 0.125 0.000 0.775 136 E CB 1.779 31.541 29.700 0.104 0.000 1.277 136 E HN 0.251 nan 8.360 nan 0.000 0.455 137 G N 1.381 110.231 108.800 0.084 0.000 2.760 137 G HA2 -0.229 3.747 3.960 0.027 0.000 0.246 137 G HA3 -0.229 3.747 3.960 0.027 0.000 0.246 137 G C -0.677 174.159 174.900 -0.106 0.000 1.359 137 G CA -0.123 44.936 45.100 -0.068 0.000 0.861 137 G HN 0.505 nan 8.290 nan 0.000 0.541 138 Q N -0.586 119.007 119.800 -0.346 0.000 2.340 138 Q HA 0.660 5.016 4.340 0.027 0.000 0.268 138 Q C -0.890 174.987 176.000 -0.206 0.000 1.031 138 Q CA -0.519 55.177 55.803 -0.179 0.000 0.804 138 Q CB 1.548 30.193 28.738 -0.156 0.000 1.286 138 Q HN 0.622 nan 8.270 nan 0.000 0.448 139 T N 5.000 119.600 114.554 0.077 0.000 2.772 139 T HA 0.446 4.812 4.350 0.027 0.000 0.288 139 T C -0.622 174.204 174.700 0.211 0.000 0.994 139 T CA -0.639 61.607 62.100 0.243 0.000 0.951 139 T CB 0.474 69.632 68.868 0.483 0.000 0.933 139 T HN 0.632 nan 8.240 nan 0.000 0.447 140 R N 2.975 123.582 120.500 0.178 0.000 2.832 140 R HA 0.782 5.138 4.340 0.027 0.000 0.271 140 R C -1.030 175.367 176.300 0.162 0.000 0.996 140 R CA -0.961 55.237 56.100 0.165 0.000 0.977 140 R CB 1.473 31.845 30.300 0.120 0.000 1.168 140 R HN 0.552 nan 8.270 nan 0.000 0.482 141 I N 1.908 122.571 120.570 0.154 0.000 2.525 141 I HA 0.457 4.643 4.170 0.027 0.000 0.301 141 I C -1.115 175.030 176.117 0.046 0.000 0.992 141 I CA -1.245 60.086 61.300 0.052 0.000 1.162 141 I CB 1.413 39.433 38.000 0.034 0.000 1.332 141 I HN 0.623 nan 8.210 nan 0.000 0.458 142 I N 6.927 127.422 120.570 -0.125 0.000 2.478 142 I HA 0.290 4.476 4.170 0.027 0.000 0.287 142 I C -1.359 174.604 176.117 -0.257 0.000 1.042 142 I CA -0.258 60.994 61.300 -0.079 0.000 1.067 142 I CB 1.619 39.588 38.000 -0.051 0.000 1.233 142 I HN 0.373 nan 8.210 nan 0.000 0.431 143 F N 4.595 124.533 119.950 -0.021 0.000 2.308 143 F HA 0.282 4.825 4.527 0.027 0.000 0.370 143 F C 1.296 176.992 175.800 -0.174 0.000 1.100 143 F CA -0.474 57.442 58.000 -0.140 0.000 1.108 143 F CB 0.844 39.726 39.000 -0.197 0.000 1.293 143 F HN 0.471 nan 8.300 nan 0.000 0.478 144 D N 2.415 122.742 120.400 -0.122 0.000 2.309 144 D HA 0.021 4.677 4.640 0.027 0.000 0.212 144 D C 0.987 177.137 176.300 -0.251 0.000 0.968 144 D CA 0.907 54.790 54.000 -0.194 0.000 0.882 144 D CB 0.394 41.019 40.800 -0.291 0.000 0.918 144 D HN 0.631 nan 8.370 nan 0.000 0.503 145 G N -0.359 108.249 108.800 -0.319 0.000 2.269 145 G HA2 0.406 4.382 3.960 0.027 0.000 0.297 145 G HA3 0.406 4.382 3.960 0.027 0.000 0.297 145 G C -1.434 173.240 174.900 -0.377 0.000 1.340 145 G CA -0.454 44.355 45.100 -0.486 0.000 1.240 145 G HN -0.050 nan 8.290 nan 0.000 0.596 146 V N 2.628 122.519 119.914 -0.039 0.000 2.525 146 V HA 0.543 4.679 4.120 0.027 0.000 0.299 146 V C -0.777 175.421 176.094 0.174 0.000 1.034 146 V CA -1.161 61.130 62.300 -0.016 0.000 0.863 146 V CB 1.931 33.531 31.823 -0.372 0.000 0.999 146 V HN 0.693 nan 8.190 nan 0.000 0.423 147 N N 2.528 121.317 118.700 0.147 0.000 2.446 147 N HA 0.318 5.074 4.740 0.027 0.000 0.265 147 N C 0.613 176.071 175.510 -0.088 0.000 0.975 147 N CA 0.133 53.179 53.050 -0.007 0.000 0.928 147 N CB 2.190 40.520 38.487 -0.262 0.000 1.160 147 N HN 0.669 nan 8.380 nan 0.000 0.495 148 S N 1.890 117.573 115.700 -0.028 0.000 2.520 148 S HA 0.572 5.059 4.470 0.027 0.000 0.219 148 S C 0.384 175.046 174.600 0.102 0.000 1.028 148 S CA 0.073 58.303 58.200 0.051 0.000 0.921 148 S CB 0.351 63.598 63.200 0.078 0.000 0.844 148 S HN 0.651 nan 8.310 nan 0.000 0.495 149 A N 0.811 123.699 122.820 0.114 0.000 2.610 149 A HA 0.799 5.135 4.320 0.027 0.000 0.291 149 A C -1.326 176.329 177.584 0.119 0.000 1.086 149 A CA -0.966 51.089 52.037 0.031 0.000 0.677 149 A CB 0.897 19.942 19.000 0.075 0.000 1.278 149 A HN 1.123 nan 8.150 nan 0.000 0.414 150 F N -0.875 118.874 119.950 -0.336 0.000 2.744 150 F HA 0.711 5.254 4.527 0.027 0.000 0.311 150 F C -1.272 174.379 175.800 -0.249 0.000 1.144 150 F CA -0.790 57.107 58.000 -0.171 0.000 0.938 150 F CB 1.009 39.906 39.000 -0.171 0.000 1.292 150 F HN 0.646 nan 8.300 nan 0.000 0.444 151 H N 1.747 120.934 119.070 0.196 0.000 2.529 151 H HA 0.753 5.325 4.556 0.027 0.000 0.348 151 H C -1.451 173.811 175.328 -0.109 0.000 1.152 151 H CA -0.717 55.327 56.048 -0.007 0.000 1.202 151 H CB 2.470 32.219 29.762 -0.021 0.000 1.562 151 H HN 0.785 nan 8.280 nan 0.000 0.515 152 L N 2.573 123.558 121.223 -0.397 0.000 2.386 152 L HA 0.418 4.774 4.340 0.027 0.000 0.271 152 L C -1.632 174.938 176.870 -0.501 0.000 0.993 152 L CA -0.561 54.120 54.840 -0.264 0.000 0.819 152 L CB 1.599 43.393 42.059 -0.442 0.000 1.294 152 L HN 0.523 nan 8.230 nan 0.000 0.414 153 W N 4.007 125.281 121.300 -0.043 0.000 2.781 153 W HA 0.635 5.311 4.660 0.027 0.000 0.345 153 W C -1.122 175.346 176.519 -0.086 0.000 1.085 153 W CA -0.823 56.487 57.345 -0.059 0.000 1.198 153 W CB 2.050 31.517 29.460 0.012 0.000 1.423 153 W HN 0.650 nan 8.180 nan 0.000 0.532 154 C N 4.252 123.650 119.300 0.163 0.000 2.446 154 C HA 0.288 4.764 4.460 0.027 0.000 0.329 154 C C 0.242 175.357 174.990 0.208 0.000 1.166 154 C CA -0.383 58.717 59.018 0.136 0.000 1.341 154 C CB -0.511 27.237 27.740 0.014 0.000 1.970 154 C HN 0.815 nan 8.230 nan 0.000 0.452 155 N N 3.469 122.246 118.700 0.128 0.000 2.721 155 N HA -0.192 4.565 4.740 0.027 0.000 0.249 155 N C 1.013 176.585 175.510 0.104 0.000 1.072 155 N CA 2.166 55.267 53.050 0.084 0.000 0.710 155 N CB -1.266 37.276 38.487 0.092 0.000 0.993 155 N HN 1.896 nan 8.380 nan 0.000 0.547 156 G N -1.287 107.572 108.800 0.098 0.000 2.205 156 G HA2 -0.368 3.608 3.960 0.027 0.000 0.261 156 G HA3 -0.368 3.608 3.960 0.027 0.000 0.261 156 G C 0.141 175.210 174.900 0.281 0.000 0.980 156 G CA 0.649 45.804 45.100 0.091 0.000 0.632 156 G HN 0.543 nan 8.290 nan 0.000 0.533 157 R N -0.904 119.827 120.500 0.385 0.000 2.407 157 R HA 0.429 4.785 4.340 0.027 0.000 0.303 157 R C -0.198 176.459 176.300 0.595 0.000 0.981 157 R CA -0.818 55.583 56.100 0.501 0.000 0.905 157 R CB 1.106 31.706 30.300 0.501 0.000 1.099 157 R HN 0.215 nan 8.270 nan 0.000 0.459 158 W N 3.359 124.869 121.300 0.350 0.000 2.216 158 W HA 0.088 4.764 4.660 0.027 0.000 0.326 158 W C 0.114 176.607 176.519 -0.043 0.000 1.319 158 W CA 0.052 57.324 57.345 -0.121 0.000 1.213 158 W CB 0.708 30.058 29.460 -0.183 0.000 1.171 158 W HN 0.313 nan 8.180 nan 0.000 0.557 159 V N 4.973 124.220 119.914 -1.112 0.000 2.743 159 V HA 0.530 4.666 4.120 0.027 0.000 0.237 159 V C 0.991 176.154 176.094 -1.553 0.000 1.113 159 V CA 1.039 62.630 62.300 -1.182 0.000 1.141 159 V CB -0.198 30.918 31.823 -1.179 0.000 0.873 159 V HN 0.817 nan 8.190 nan 0.000 0.486 160 G N -1.766 105.883 108.800 -1.917 0.000 2.428 160 G HA2 0.480 4.456 3.960 0.027 0.000 0.304 160 G HA3 0.480 4.456 3.960 0.027 0.000 0.304 160 G C -2.421 172.047 174.900 -0.720 0.000 1.303 160 G CA -0.233 44.108 45.100 -1.264 0.000 0.825 160 G HN 0.010 nan 8.290 nan 0.000 0.484 161 Y N -0.648 119.417 120.300 -0.392 0.000 2.571 161 Y HA 0.709 5.275 4.550 0.027 0.000 0.341 161 Y C -0.127 175.519 175.900 -0.423 0.000 1.076 161 Y CA -0.033 57.759 58.100 -0.513 0.000 1.029 161 Y CB 2.196 40.519 38.460 -0.229 0.000 1.308 161 Y HN 1.310 nan 8.280 nan 0.000 0.461 162 G N 3.411 111.283 108.800 -1.546 0.000 2.720 162 G HA2 0.577 4.553 3.960 0.027 0.000 0.295 162 G HA3 0.577 4.553 3.960 0.027 0.000 0.295 162 G C -2.185 172.243 174.900 -0.787 0.000 1.437 162 G CA -0.877 43.673 45.100 -0.917 0.000 0.886 162 G HN 0.635 nan 8.290 nan 0.000 0.509 163 Q N -0.384 119.216 119.800 -0.333 0.000 2.668 163 Q HA 0.599 4.955 4.340 0.027 0.000 0.298 163 Q C -1.411 174.586 176.000 -0.004 0.000 1.071 163 Q CA -0.849 54.882 55.803 -0.120 0.000 0.789 163 Q CB 2.690 31.408 28.738 -0.032 0.000 1.497 163 Q HN 0.660 nan 8.270 nan 0.000 0.460 164 D N -0.123 120.314 120.400 0.061 0.000 4.370 164 D HA -0.093 4.563 4.640 0.027 0.000 0.238 164 D C -0.571 175.794 176.300 0.108 0.000 1.104 164 D CA 0.450 54.503 54.000 0.088 0.000 1.101 164 D CB -0.697 40.140 40.800 0.062 0.000 0.749 164 D HN 0.533 nan 8.370 nan 0.000 0.351 165 S N 3.176 118.954 115.700 0.130 0.000 2.595 165 S HA -0.062 4.424 4.470 0.027 0.000 0.235 165 S C 1.501 176.229 174.600 0.213 0.000 0.974 165 S CA 0.481 58.785 58.200 0.175 0.000 0.942 165 S CB 0.232 63.511 63.200 0.130 0.000 0.766 165 S HN 0.455 nan 8.310 nan 0.000 0.536 166 R N 0.192 120.783 120.500 0.151 0.000 2.596 166 R HA 0.434 4.790 4.340 0.027 0.000 0.369 166 R C -0.512 175.848 176.300 0.100 0.000 1.042 166 R CA 0.052 56.241 56.100 0.148 0.000 1.120 166 R CB 0.203 30.614 30.300 0.184 0.000 1.353 166 R HN 0.319 nan 8.270 nan 0.000 0.564 167 L N 1.263 122.517 121.223 0.053 0.000 2.350 167 L HA 0.523 4.879 4.340 0.027 0.000 0.260 167 L C -2.411 174.442 176.870 -0.029 0.000 1.015 167 L CA -2.284 52.557 54.840 0.002 0.000 0.821 167 L CB 2.986 45.036 42.059 -0.015 0.000 1.370 167 L HN -0.193 nan 8.230 nan 0.000 0.416 168 P HA 0.119 nan 4.420 nan 0.000 0.276 168 P C -1.010 176.257 177.300 -0.055 0.000 1.230 168 P CA -0.227 62.830 63.100 -0.071 0.000 0.776 168 P CB 1.155 32.773 31.700 -0.135 0.000 0.888 169 S N 2.212 117.939 115.700 0.046 0.000 2.433 169 S HA 0.295 4.781 4.470 0.027 0.000 0.310 169 S C -0.296 174.253 174.600 -0.084 0.000 1.097 169 S CA -0.565 57.626 58.200 -0.015 0.000 1.103 169 S CB 0.669 64.013 63.200 0.239 0.000 0.992 169 S HN 0.365 nan 8.310 nan 0.000 0.469 170 E N 2.155 122.119 120.200 -0.394 0.000 2.222 170 E HA 0.552 4.918 4.350 0.027 0.000 0.267 170 E C -1.382 174.865 176.600 -0.587 0.000 0.884 170 E CA -0.548 55.696 56.400 -0.260 0.000 0.764 170 E CB 1.620 31.274 29.700 -0.076 0.000 1.169 170 E HN 0.405 nan 8.360 nan 0.000 0.413 171 F N 0.574 120.579 119.950 0.091 0.000 2.576 171 F HA 0.212 4.755 4.527 0.027 0.000 0.313 171 F C 0.104 175.929 175.800 0.043 0.000 1.078 171 F CA -1.122 56.897 58.000 0.033 0.000 0.921 171 F CB 1.497 40.483 39.000 -0.024 0.000 1.232 171 F HN 0.285 nan 8.300 nan 0.000 0.459 172 D N 2.769 123.305 120.400 0.225 0.000 2.336 172 D HA 0.199 4.855 4.640 0.027 0.000 0.249 172 D C 0.291 176.734 176.300 0.239 0.000 1.213 172 D CA 0.287 54.403 54.000 0.193 0.000 0.870 172 D CB 0.891 41.789 40.800 0.164 0.000 1.076 172 D HN 0.556 nan 8.370 nan 0.000 0.483 173 L N 2.874 124.239 121.223 0.236 0.000 2.667 173 L HA 0.020 4.376 4.340 0.027 0.000 0.232 173 L C 2.061 179.165 176.870 0.390 0.000 1.138 173 L CA -0.136 54.873 54.840 0.283 0.000 0.921 173 L CB 0.050 42.242 42.059 0.222 0.000 1.180 173 L HN 0.291 nan 8.230 nan 0.000 0.487 174 S N 1.336 117.215 115.700 0.298 0.000 2.372 174 S HA -0.271 4.215 4.470 0.027 0.000 0.227 174 S C 2.007 176.728 174.600 0.202 0.000 1.044 174 S CA 1.874 60.212 58.200 0.230 0.000 1.050 174 S CB -0.112 63.181 63.200 0.156 0.000 0.901 174 S HN 0.573 nan 8.310 nan 0.000 0.447 175 A N -0.680 122.253 122.820 0.189 0.000 2.238 175 A HA 0.320 4.656 4.320 0.027 0.000 0.208 175 A C 1.258 178.779 177.584 -0.105 0.000 1.177 175 A CA 0.358 52.388 52.037 -0.012 0.000 0.804 175 A CB -0.375 18.513 19.000 -0.187 0.000 0.823 175 A HN 0.484 nan 8.150 nan 0.000 0.482 176 F N -0.863 119.132 119.950 0.074 0.000 2.720 176 F HA 0.384 4.927 4.527 0.027 0.000 0.301 176 F C 0.652 176.488 175.800 0.060 0.000 1.103 176 F CA -0.176 57.866 58.000 0.069 0.000 1.291 176 F CB 0.126 39.174 39.000 0.080 0.000 1.086 176 F HN -0.030 nan 8.300 nan 0.000 0.592 177 L N 1.318 122.690 121.223 0.249 0.000 2.416 177 L HA 0.506 4.862 4.340 0.027 0.000 0.262 177 L C 0.263 177.171 176.870 0.063 0.000 1.093 177 L CA -0.856 54.066 54.840 0.136 0.000 0.801 177 L CB 0.973 43.125 42.059 0.155 0.000 1.191 177 L HN -0.025 nan 8.230 nan 0.000 0.459 178 R N 1.476 121.973 120.500 -0.005 0.000 2.795 178 R HA 0.711 5.067 4.340 0.027 0.000 0.275 178 R C -1.206 175.063 176.300 -0.050 0.000 0.981 178 R CA -0.689 55.400 56.100 -0.018 0.000 0.917 178 R CB 1.622 31.908 30.300 -0.024 0.000 1.202 178 R HN 0.584 nan 8.270 nan 0.000 0.469 179 A N 1.289 124.091 122.820 -0.031 0.000 2.498 179 A HA 0.495 4.831 4.320 0.027 0.000 0.239 179 A C 1.011 178.544 177.584 -0.085 0.000 1.068 179 A CA 1.155 53.163 52.037 -0.048 0.000 0.766 179 A CB -0.603 18.383 19.000 -0.022 0.000 1.003 179 A HN 1.510 nan 8.150 nan 0.000 0.497 180 G N 1.216 109.947 108.800 -0.117 0.000 2.466 180 G HA2 -0.080 3.896 3.960 0.027 0.000 0.218 180 G HA3 -0.080 3.896 3.960 0.027 0.000 0.218 180 G C -0.448 174.330 174.900 -0.204 0.000 1.237 180 G CA -0.151 44.870 45.100 -0.132 0.000 0.954 180 G HN 0.927 nan 8.290 nan 0.000 0.580 181 E N 1.849 121.939 120.200 -0.184 0.000 2.384 181 E HA 0.342 4.708 4.350 0.027 0.000 0.266 181 E C 0.294 176.708 176.600 -0.310 0.000 1.012 181 E CA 0.119 56.371 56.400 -0.245 0.000 0.901 181 E CB 0.519 30.120 29.700 -0.164 0.000 0.967 181 E HN 0.487 nan 8.360 nan 0.000 0.435 182 N N 1.839 120.229 118.700 -0.517 0.000 2.357 182 N HA 0.401 5.157 4.740 0.027 0.000 0.284 182 N C -0.739 174.544 175.510 -0.379 0.000 1.236 182 N CA -0.670 52.068 53.050 -0.519 0.000 0.774 182 N CB 2.719 40.699 38.487 -0.845 0.000 1.534 182 N HN 0.229 nan 8.380 nan 0.000 0.478 183 R N 1.440 121.868 120.500 -0.120 0.000 2.532 183 R HA 0.499 4.855 4.340 0.027 0.000 0.297 183 R C -1.260 175.103 176.300 0.105 0.000 0.984 183 R CA -0.468 55.638 56.100 0.010 0.000 0.884 183 R CB 1.005 31.268 30.300 -0.061 0.000 1.182 183 R HN 0.484 nan 8.270 nan 0.000 0.442 184 L N 2.882 124.201 121.223 0.161 0.000 2.344 184 L HA 0.815 5.171 4.340 0.027 0.000 0.272 184 L C -0.303 176.607 176.870 0.067 0.000 1.035 184 L CA -1.043 53.889 54.840 0.153 0.000 0.807 184 L CB 1.948 44.092 42.059 0.141 0.000 1.237 184 L HN 0.788 nan 8.230 nan 0.000 0.442 185 A N 2.297 125.185 122.820 0.112 0.000 2.408 185 A HA 0.741 5.077 4.320 0.027 0.000 0.295 185 A C -1.244 176.619 177.584 0.465 0.000 1.040 185 A CA -0.422 51.605 52.037 -0.016 0.000 0.707 185 A CB 1.704 20.222 19.000 -0.804 0.000 1.235 185 A HN 0.349 nan 8.150 nan 0.000 0.418 186 V N 3.282 123.611 119.914 0.692 0.000 2.483 186 V HA 0.476 4.612 4.120 0.027 0.000 0.297 186 V C -0.161 176.426 176.094 0.822 0.000 1.027 186 V CA -0.268 62.434 62.300 0.669 0.000 0.855 186 V CB 1.655 33.681 31.823 0.339 0.000 0.995 186 V HN 0.962 nan 8.190 nan 0.000 0.424 187 M N 5.956 126.062 119.600 0.843 0.000 2.055 187 M HA 0.546 5.043 4.480 0.027 0.000 0.347 187 M C -1.383 175.169 176.300 0.419 0.000 1.123 187 M CA -0.363 55.285 55.300 0.579 0.000 1.035 187 M CB 1.006 34.007 32.600 0.668 0.000 1.484 187 M HN 0.484 nan 8.290 nan 0.000 0.428 188 V N 6.635 126.754 119.914 0.342 0.000 2.394 188 V HA 0.390 4.527 4.120 0.027 0.000 0.282 188 V C 0.004 176.248 176.094 0.250 0.000 1.031 188 V CA -0.712 61.793 62.300 0.342 0.000 0.881 188 V CB 1.474 33.585 31.823 0.480 0.000 0.982 188 V HN 0.783 nan 8.190 nan 0.000 0.451 189 L N 4.847 126.157 121.223 0.144 0.000 2.292 189 L HA 0.495 4.852 4.340 0.027 0.000 0.284 189 L C 1.547 178.435 176.870 0.032 0.000 1.065 189 L CA -0.357 54.494 54.840 0.019 0.000 0.806 189 L CB 1.110 43.102 42.059 -0.113 0.000 1.175 189 L HN 0.673 nan 8.230 nan 0.000 0.431 190 R N 2.865 123.334 120.500 -0.051 0.000 2.066 190 R HA -0.039 4.317 4.340 0.027 0.000 0.232 190 R C -0.255 175.715 176.300 -0.550 0.000 1.131 190 R CA 1.193 57.034 56.100 -0.432 0.000 0.955 190 R CB 0.189 30.092 30.300 -0.662 0.000 0.851 190 R HN 0.568 nan 8.270 nan 0.000 0.432 191 W N 0.358 121.719 121.300 0.102 0.000 2.627 191 W HA 0.411 5.087 4.660 0.026 0.000 0.339 191 W C -0.292 176.335 176.519 0.179 0.000 1.058 191 W CA -0.847 56.565 57.345 0.111 0.000 1.223 191 W CB 1.803 31.333 29.460 0.117 0.000 1.389 191 W HN 0.084 nan 8.180 nan 0.000 0.541 192 S N -1.074 114.912 115.700 0.476 0.000 2.688 192 S HA 0.208 4.694 4.470 0.027 0.000 0.275 192 S C 0.117 174.975 174.600 0.431 0.000 1.175 192 S CA -0.435 58.051 58.200 0.478 0.000 0.818 192 S CB 1.158 64.609 63.200 0.418 0.000 1.157 192 S HN 0.637 nan 8.310 nan 0.000 0.482 193 D N 0.335 120.995 120.400 0.433 0.000 2.263 193 D HA 0.063 4.720 4.640 0.027 0.000 0.208 193 D C 1.746 178.373 176.300 0.544 0.000 0.971 193 D CA 1.179 55.486 54.000 0.511 0.000 0.867 193 D CB -0.679 40.276 40.800 0.257 0.000 0.929 193 D HN 0.694 nan 8.370 nan 0.000 0.492 194 G N 0.070 109.100 108.800 0.382 0.000 2.471 194 G HA2 -0.232 3.744 3.960 0.027 0.000 0.219 194 G HA3 -0.232 3.744 3.960 0.027 0.000 0.219 194 G C 1.665 176.759 174.900 0.323 0.000 1.125 194 G CA 0.622 45.921 45.100 0.333 0.000 0.775 194 G HN 0.307 nan 8.290 nan 0.000 0.548 195 S N -0.109 115.767 115.700 0.293 0.000 2.442 195 S HA -0.080 4.406 4.470 0.027 0.000 0.236 195 S C 1.838 176.541 174.600 0.171 0.000 1.007 195 S CA 0.531 58.873 58.200 0.236 0.000 0.965 195 S CB -0.387 62.981 63.200 0.280 0.000 0.773 195 S HN 0.556 nan 8.310 nan 0.000 0.504 196 Y N 1.206 121.648 120.300 0.238 0.000 2.403 196 Y HA 0.059 4.625 4.550 0.027 0.000 0.291 196 Y C 1.662 177.685 175.900 0.204 0.000 1.143 196 Y CA 0.681 58.847 58.100 0.109 0.000 1.257 196 Y CB -0.181 38.219 38.460 -0.100 0.000 0.984 196 Y HN 0.209 nan 8.280 nan 0.000 0.550 197 L N -0.475 120.958 121.223 0.350 0.000 2.640 197 L HA 0.109 4.465 4.340 0.027 0.000 0.230 197 L C 0.061 177.080 176.870 0.248 0.000 1.123 197 L CA 0.391 55.389 54.840 0.263 0.000 0.900 197 L CB 0.106 42.322 42.059 0.261 0.000 1.146 197 L HN 0.123 nan 8.230 nan 0.000 0.484 198 E N -0.006 120.353 120.200 0.265 0.000 3.269 198 E HA 0.039 4.405 4.350 0.027 0.000 0.221 198 E C -0.429 176.288 176.600 0.195 0.000 1.113 198 E CA -0.097 56.442 56.400 0.232 0.000 1.385 198 E CB 0.424 30.251 29.700 0.212 0.000 1.345 198 E HN 0.022 nan 8.360 nan 0.000 0.435 199 D N 1.128 121.600 120.400 0.120 0.000 2.538 199 D HA 0.016 4.672 4.640 0.027 0.000 0.234 199 D C -0.232 176.072 176.300 0.008 0.000 1.191 199 D CA -0.113 53.846 54.000 -0.068 0.000 0.828 199 D CB 0.136 40.650 40.800 -0.476 0.000 0.981 199 D HN 0.083 nan 8.370 nan 0.000 0.490 200 Q N 0.555 120.452 119.800 0.161 0.000 2.349 200 Q HA 0.064 4.420 4.340 0.027 0.000 0.287 200 Q C -0.024 176.104 176.000 0.214 0.000 1.044 200 Q CA 0.245 56.210 55.803 0.269 0.000 0.918 200 Q CB 0.474 29.533 28.738 0.535 0.000 1.242 200 Q HN 0.045 nan 8.270 nan 0.000 0.405 201 D N 3.327 123.871 120.400 0.240 0.000 2.441 201 D HA 0.162 4.818 4.640 0.027 0.000 0.243 201 D C -0.750 175.719 176.300 0.282 0.000 1.257 201 D CA 0.152 54.291 54.000 0.230 0.000 1.027 201 D CB -0.455 40.488 40.800 0.239 0.000 1.084 201 D HN 0.499 nan 8.370 nan 0.000 0.514 202 M N 0.375 120.110 119.600 0.226 0.000 2.895 202 M HA 0.353 4.850 4.480 0.027 0.000 0.271 202 M C -1.303 175.088 176.300 0.151 0.000 1.174 202 M CA -1.162 54.174 55.300 0.061 0.000 0.816 202 M CB 0.968 33.535 32.600 -0.055 0.000 1.647 202 M HN -0.093 nan 8.290 nan 0.000 0.506 203 W N 1.858 123.231 121.300 0.123 0.000 2.231 203 W HA 0.266 4.942 4.660 0.027 0.000 0.341 203 W C 0.299 176.843 176.519 0.042 0.000 1.298 203 W CA -0.065 57.349 57.345 0.116 0.000 1.266 203 W CB 0.310 29.775 29.460 0.007 0.000 1.172 203 W HN 0.302 nan 8.180 nan 0.000 0.568 204 R N 4.597 125.287 120.500 0.316 0.000 2.204 204 R HA 0.430 4.786 4.340 0.027 0.000 0.341 204 R C -0.083 176.228 176.300 0.017 0.000 1.035 204 R CA -0.277 55.923 56.100 0.166 0.000 0.887 204 R CB 0.288 30.759 30.300 0.286 0.000 1.114 204 R HN 0.544 nan 8.270 nan 0.000 0.473 205 M N 0.212 119.705 119.600 -0.179 0.000 2.777 205 M HA 0.534 5.030 4.480 0.027 0.000 0.288 205 M C -0.105 175.829 176.300 -0.610 0.000 1.181 205 M CA -0.813 54.255 55.300 -0.387 0.000 0.758 205 M CB 2.367 34.739 32.600 -0.380 0.000 1.757 205 M HN 0.645 nan 8.290 nan 0.000 0.453 206 S N -1.159 114.036 115.700 -0.841 0.000 2.611 206 S HA 0.936 5.422 4.470 0.027 0.000 0.268 206 S C -0.640 173.431 174.600 -0.883 0.000 1.156 206 S CA -0.178 57.461 58.200 -0.935 0.000 0.817 206 S CB 1.816 64.290 63.200 -1.209 0.000 1.122 206 S HN 1.446 nan 8.310 nan 0.000 0.466 207 G N -0.081 108.477 108.800 -0.404 0.000 2.331 207 G HA2 0.205 4.181 3.960 0.027 0.000 0.402 207 G HA3 0.205 4.181 3.960 0.027 0.000 0.402 207 G C -1.503 173.429 174.900 0.054 0.000 1.275 207 G CA -0.627 44.547 45.100 0.124 0.000 1.003 207 G HN 1.160 nan 8.290 nan 0.000 0.500 208 I N 2.044 122.490 120.570 -0.206 0.000 2.256 208 I HA 0.281 4.467 4.170 0.027 0.000 0.294 208 I C 1.131 177.122 176.117 -0.211 0.000 1.127 208 I CA -0.235 60.828 61.300 -0.395 0.000 1.247 208 I CB -0.148 37.327 38.000 -0.874 0.000 1.460 208 I HN 0.520 nan 8.210 nan 0.000 0.511 209 F N 4.247 124.045 119.950 -0.253 0.000 2.695 209 F HA 0.459 5.002 4.527 0.026 0.000 0.303 209 F C 0.735 176.453 175.800 -0.137 0.000 1.091 209 F CA -0.537 57.347 58.000 -0.192 0.000 1.300 209 F CB 0.156 39.049 39.000 -0.179 0.000 1.071 209 F HN 0.138 nan 8.300 nan 0.000 0.578 210 R N 0.637 120.676 120.500 -0.768 0.000 2.939 210 R HA 0.238 4.594 4.340 0.027 0.000 0.254 210 R C -0.682 175.404 176.300 -0.356 0.000 1.123 210 R CA -1.136 54.632 56.100 -0.553 0.000 1.020 210 R CB 0.814 30.714 30.300 -0.666 0.000 1.206 210 R HN -0.010 nan 8.270 nan 0.000 0.491 211 D N 0.780 121.020 120.400 -0.268 0.000 2.419 211 D HA 0.086 4.742 4.640 0.027 0.000 0.236 211 D C -0.439 175.715 176.300 -0.243 0.000 1.165 211 D CA 0.420 54.296 54.000 -0.207 0.000 0.882 211 D CB 0.753 41.465 40.800 -0.146 0.000 1.201 211 D HN -0.010 nan 8.370 nan 0.000 0.443 212 V N 0.994 120.767 119.914 -0.235 0.000 2.495 212 V HA 0.545 4.682 4.120 0.027 0.000 0.298 212 V C 0.211 176.177 176.094 -0.215 0.000 1.031 212 V CA -0.565 61.535 62.300 -0.334 0.000 0.871 212 V CB 1.570 33.187 31.823 -0.343 0.000 0.988 212 V HN 0.749 nan 8.190 nan 0.000 0.432 213 S N 4.615 120.169 115.700 -0.243 0.000 2.651 213 S HA 0.879 5.365 4.470 0.027 0.000 0.279 213 S C -1.572 172.969 174.600 -0.098 0.000 1.148 213 S CA -0.827 57.299 58.200 -0.123 0.000 0.837 213 S CB 2.161 65.323 63.200 -0.064 0.000 1.138 213 S HN 0.444 nan 8.310 nan 0.000 0.478 214 L N 1.411 122.641 121.223 0.012 0.000 2.381 214 L HA 0.771 5.127 4.340 0.027 0.000 0.274 214 L C -1.457 175.595 176.870 0.304 0.000 0.988 214 L CA -0.697 54.223 54.840 0.133 0.000 0.824 214 L CB 1.568 43.688 42.059 0.102 0.000 1.263 214 L HN 0.860 nan 8.230 nan 0.000 0.410 215 L N 4.317 125.706 121.223 0.277 0.000 2.385 215 L HA 0.501 4.857 4.340 0.027 0.000 0.273 215 L C -1.091 175.822 176.870 0.072 0.000 0.990 215 L CA -0.184 54.756 54.840 0.166 0.000 0.821 215 L CB 1.337 43.449 42.059 0.089 0.000 1.279 215 L HN 0.626 nan 8.230 nan 0.000 0.412 216 H N 5.274 124.147 119.070 -0.328 0.000 2.488 216 H HA 0.482 5.054 4.556 0.027 0.000 0.322 216 H C -1.219 173.900 175.328 -0.347 0.000 1.078 216 H CA -0.585 55.139 56.048 -0.541 0.000 1.260 216 H CB 1.139 30.093 29.762 -1.346 0.000 1.425 216 H HN 0.527 nan 8.280 nan 0.000 0.471 217 K N 5.213 125.192 120.400 -0.702 0.000 2.395 217 K HA 0.393 4.729 4.320 0.027 0.000 0.247 217 K C -2.713 173.570 176.600 -0.528 0.000 0.973 217 K CA -2.055 53.963 56.287 -0.448 0.000 0.828 217 K CB 2.149 34.467 32.500 -0.302 0.000 1.272 217 K HN 0.487 nan 8.250 nan 0.000 0.439 218 P HA 0.191 nan 4.420 nan 0.000 0.276 218 P C 0.470 177.677 177.300 -0.155 0.000 1.252 218 P CA -0.218 62.785 63.100 -0.160 0.000 0.802 218 P CB 0.478 32.140 31.700 -0.064 0.000 1.035 219 T N -1.065 113.430 114.554 -0.098 0.000 2.746 219 T HA -0.056 4.311 4.350 0.027 0.000 0.267 219 T C 0.614 175.267 174.700 -0.078 0.000 1.039 219 T CA 1.633 63.686 62.100 -0.077 0.000 1.142 219 T CB -0.629 68.214 68.868 -0.041 0.000 0.866 219 T HN 0.428 nan 8.240 nan 0.000 0.444 220 T N 3.683 118.198 114.554 -0.066 0.000 2.738 220 T HA 0.455 4.821 4.350 0.027 0.000 0.298 220 T C -0.217 174.434 174.700 -0.081 0.000 0.962 220 T CA -0.613 61.441 62.100 -0.078 0.000 0.972 220 T CB 0.629 69.465 68.868 -0.054 0.000 0.928 220 T HN 0.486 nan 8.240 nan 0.000 0.474 221 Q N 2.355 122.092 119.800 -0.105 0.000 2.565 221 Q HA 0.592 4.948 4.340 0.027 0.000 0.294 221 Q C -1.239 174.696 176.000 -0.108 0.000 1.005 221 Q CA -1.166 54.565 55.803 -0.120 0.000 0.771 221 Q CB 1.277 29.915 28.738 -0.166 0.000 1.486 221 Q HN 0.451 nan 8.270 nan 0.000 0.422 222 I N 2.796 123.280 120.570 -0.143 0.000 2.406 222 I HA -0.004 4.182 4.170 0.027 0.000 0.293 222 I C 0.781 176.791 176.117 -0.179 0.000 1.101 222 I CA 0.117 61.351 61.300 -0.110 0.000 1.334 222 I CB 0.881 38.785 38.000 -0.160 0.000 1.421 222 I HN 0.846 nan 8.210 nan 0.000 0.513 223 S N 2.775 118.475 115.700 -0.000 0.000 2.503 223 S HA 0.182 4.669 4.470 0.027 0.000 0.215 223 S C 0.282 175.089 174.600 0.345 0.000 1.003 223 S CA -0.218 58.046 58.200 0.108 0.000 0.910 223 S CB 0.244 63.475 63.200 0.053 0.000 0.790 223 S HN 0.676 nan 8.310 nan 0.000 0.514 224 D N -0.316 120.275 120.400 0.319 0.000 2.683 224 D HA 0.543 5.199 4.640 0.027 0.000 0.246 224 D C -1.931 174.533 176.300 0.274 0.000 1.238 224 D CA -0.722 53.453 54.000 0.292 0.000 0.759 224 D CB 1.728 42.582 40.800 0.089 0.000 1.349 224 D HN 0.202 nan 8.370 nan 0.000 0.426 225 F N -0.741 119.256 119.950 0.078 0.000 2.654 225 F HA 0.571 5.114 4.527 0.027 0.000 0.314 225 F C -1.590 174.274 175.800 0.106 0.000 1.116 225 F CA -0.767 57.226 58.000 -0.012 0.000 1.017 225 F CB 1.090 40.128 39.000 0.064 0.000 1.285 225 F HN 0.243 nan 8.300 nan 0.000 0.448 226 H N 1.806 120.931 119.070 0.092 0.000 2.600 226 H HA 0.770 5.342 4.556 0.028 0.000 0.357 226 H C -1.314 174.050 175.328 0.059 0.000 1.106 226 H CA -1.513 54.528 56.048 -0.011 0.000 1.193 226 H CB 2.765 32.510 29.762 -0.029 0.000 1.594 226 H HN 0.609 nan 8.280 nan 0.000 0.526 227 V N 2.151 122.162 119.914 0.161 0.000 2.495 227 V HA 0.668 4.804 4.120 0.027 0.000 0.298 227 V C -0.301 175.785 176.094 -0.013 0.000 1.031 227 V CA -0.551 61.795 62.300 0.075 0.000 0.871 227 V CB 1.338 33.197 31.823 0.060 0.000 0.988 227 V HN 0.914 nan 8.190 nan 0.000 0.432 228 A N 3.182 125.971 122.820 -0.052 0.000 2.435 228 A HA 0.950 5.286 4.320 0.027 0.000 0.304 228 A C -0.198 177.283 177.584 -0.172 0.000 1.064 228 A CA -0.516 51.469 52.037 -0.087 0.000 0.727 228 A CB 2.046 21.017 19.000 -0.049 0.000 1.284 228 A HN 0.926 nan 8.150 nan 0.000 0.415 229 T N -0.339 114.098 114.554 -0.196 0.000 2.840 229 T HA 0.701 5.067 4.350 0.027 0.000 0.287 229 T C -0.476 174.028 174.700 -0.326 0.000 0.991 229 T CA -0.812 61.086 62.100 -0.338 0.000 0.964 229 T CB 1.080 69.649 68.868 -0.497 0.000 0.954 229 T HN 1.019 nan 8.240 nan 0.000 0.438 230 R N 2.477 122.696 120.500 -0.469 0.000 2.740 230 R HA 0.757 5.113 4.340 0.027 0.000 0.282 230 R C -1.844 174.073 176.300 -0.639 0.000 0.969 230 R CA -0.834 55.058 56.100 -0.346 0.000 0.918 230 R CB 1.331 31.565 30.300 -0.110 0.000 1.175 230 R HN 0.526 nan 8.270 nan 0.000 0.464 231 F N 1.034 120.937 119.950 -0.078 0.000 2.598 231 F HA 0.338 4.880 4.527 0.025 0.000 0.327 231 F C 0.513 176.151 175.800 -0.269 0.000 1.057 231 F CA -0.908 56.973 58.000 -0.197 0.000 0.957 231 F CB 1.529 40.245 39.000 -0.474 0.000 1.278 231 F HN 0.689 nan 8.300 nan 0.000 0.484 232 N N 0.140 118.799 118.700 -0.069 0.000 2.364 232 N HA 0.020 4.776 4.740 0.027 0.000 0.264 232 N C 0.463 175.841 175.510 -0.221 0.000 1.263 232 N CA -0.084 52.906 53.050 -0.099 0.000 0.959 232 N CB 0.146 38.604 38.487 -0.048 0.000 1.204 232 N HN 0.688 nan 8.380 nan 0.000 0.550 233 D N -1.362 118.960 120.400 -0.130 0.000 2.178 233 D HA -0.218 4.439 4.640 0.027 0.000 0.201 233 D C 0.382 176.641 176.300 -0.067 0.000 0.980 233 D CA 1.380 55.315 54.000 -0.110 0.000 0.842 233 D CB -0.493 40.293 40.800 -0.023 0.000 0.948 233 D HN 0.723 nan 8.370 nan 0.000 0.472 234 D N -1.375 119.019 120.400 -0.010 0.000 2.424 234 D HA 0.006 4.662 4.640 0.027 0.000 0.220 234 D C 0.137 176.606 176.300 0.282 0.000 1.150 234 D CA -0.817 53.277 54.000 0.156 0.000 0.831 234 D CB -0.837 40.040 40.800 0.128 0.000 0.981 234 D HN 0.200 nan 8.370 nan 0.000 0.500 235 F N 0.194 120.205 119.950 0.102 0.000 2.871 235 F HA -0.297 4.245 4.527 0.024 0.000 0.326 235 F C 1.712 177.597 175.800 0.141 0.000 0.675 235 F CA 0.819 58.887 58.000 0.114 0.000 1.188 235 F CB -2.558 36.393 39.000 -0.082 0.000 1.567 235 F HN 0.187 nan 8.300 nan 0.000 0.325 236 S N -0.853 114.951 115.700 0.174 0.000 2.527 236 S HA 0.249 4.735 4.470 0.027 0.000 0.222 236 S C 0.628 175.280 174.600 0.087 0.000 0.985 236 S CA 0.150 58.423 58.200 0.122 0.000 0.921 236 S CB 0.251 63.499 63.200 0.079 0.000 0.772 236 S HN 0.492 nan 8.310 nan 0.000 0.529 237 R N 0.106 120.659 120.500 0.089 0.000 2.651 237 R HA 0.802 5.159 4.340 0.027 0.000 0.278 237 R C -1.328 174.982 176.300 0.016 0.000 1.010 237 R CA -0.398 55.717 56.100 0.025 0.000 0.896 237 R CB 2.173 32.467 30.300 -0.010 0.000 1.211 237 R HN 0.214 nan 8.270 nan 0.000 0.456 238 A N 1.536 124.303 122.820 -0.088 0.000 2.556 238 A HA 0.761 5.097 4.320 0.027 0.000 0.294 238 A C -1.359 176.118 177.584 -0.179 0.000 1.091 238 A CA -0.700 51.176 52.037 -0.268 0.000 0.704 238 A CB 2.134 20.955 19.000 -0.297 0.000 1.300 238 A HN 0.331 nan 8.150 nan 0.000 0.406 239 V N 1.484 121.269 119.914 -0.215 0.000 2.483 239 V HA 0.418 4.554 4.120 0.027 0.000 0.297 239 V C -0.529 175.495 176.094 -0.116 0.000 1.027 239 V CA -0.356 61.870 62.300 -0.123 0.000 0.855 239 V CB 1.421 33.173 31.823 -0.119 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 4.941 126.138 121.223 -0.044 0.000 2.265 240 L HA 0.564 4.920 4.340 0.027 0.000 0.288 240 L C 0.142 176.966 176.870 -0.076 0.000 1.058 240 L CA 0.116 54.907 54.840 -0.083 0.000 0.809 240 L CB 0.837 42.880 42.059 -0.026 0.000 1.179 240 L HN 0.813 nan 8.230 nan 0.000 0.429 241 E N 5.131 125.280 120.200 -0.085 0.000 2.145 241 E HA 0.608 4.975 4.350 0.027 0.000 0.270 241 E C -1.482 175.107 176.600 -0.018 0.000 0.906 241 E CA -0.821 55.549 56.400 -0.049 0.000 0.761 241 E CB 1.627 31.300 29.700 -0.045 0.000 1.116 241 E HN 0.725 nan 8.360 nan 0.000 0.408 242 A N 4.845 127.662 122.820 -0.005 0.000 2.291 242 A HA 0.292 4.628 4.320 0.027 0.000 0.311 242 A C -0.591 177.003 177.584 0.017 0.000 1.224 242 A CA -0.697 51.360 52.037 0.034 0.000 0.821 242 A CB 0.999 20.016 19.000 0.028 0.000 1.172 242 A HN 0.761 nan 8.150 nan 0.000 0.494 243 E N 2.776 122.992 120.200 0.026 0.000 2.174 243 E HA 0.544 4.910 4.350 0.027 0.000 0.282 243 E C -1.369 175.208 176.600 -0.038 0.000 0.992 243 E CA -0.392 55.987 56.400 -0.034 0.000 0.803 243 E CB 1.198 30.851 29.700 -0.077 0.000 1.090 243 E HN 0.364 nan 8.360 nan 0.000 0.396 244 V N 4.731 124.634 119.914 -0.017 0.000 2.555 244 V HA 0.304 4.440 4.120 0.027 0.000 0.302 244 V C -0.452 175.708 176.094 0.110 0.000 1.038 244 V CA -0.773 61.558 62.300 0.052 0.000 0.887 244 V CB 1.663 33.494 31.823 0.013 0.000 0.991 244 V HN 0.749 nan 8.190 nan 0.000 0.434 245 Q N 4.225 124.097 119.800 0.120 0.000 2.377 245 Q HA 0.840 5.196 4.340 0.027 0.000 0.271 245 Q C -0.888 175.183 176.000 0.120 0.000 1.077 245 Q CA -0.879 54.996 55.803 0.121 0.000 0.820 245 Q CB 2.716 31.451 28.738 -0.006 0.000 1.347 245 Q HN 0.815 nan 8.270 nan 0.000 0.444 246 M N -0.934 118.662 119.600 -0.007 0.000 2.690 246 M HA 0.774 5.270 4.480 0.027 0.000 0.302 246 M C -1.250 174.954 176.300 -0.160 0.000 1.234 246 M CA -0.504 54.721 55.300 -0.124 0.000 0.853 246 M CB 1.597 33.971 32.600 -0.376 0.000 1.748 246 M HN 0.524 nan 8.290 nan 0.000 0.469 247 C N 0.516 119.733 119.300 -0.137 0.000 2.667 247 C HA 1.030 5.507 4.460 0.027 0.000 0.323 247 C C 0.675 175.586 174.990 -0.132 0.000 1.214 247 C CA 0.649 59.599 59.018 -0.112 0.000 1.721 247 C CB 1.113 28.814 27.740 -0.065 0.000 2.275 247 C HN 1.390 nan 8.230 nan 0.000 0.491 248 G N 1.492 110.224 108.800 -0.112 0.000 2.447 248 G HA2 -0.019 3.957 3.960 0.027 0.000 0.220 248 G HA3 -0.019 3.957 3.960 0.027 0.000 0.220 248 G C -1.006 173.820 174.900 -0.124 0.000 1.261 248 G CA -0.502 44.535 45.100 -0.104 0.000 1.000 248 G HN 0.874 nan 8.290 nan 0.000 0.515 249 E N 0.277 120.410 120.200 -0.111 0.000 2.152 249 E HA 0.435 4.801 4.350 0.027 0.000 0.285 249 E C 0.500 176.994 176.600 -0.175 0.000 1.043 249 E CA -0.452 55.877 56.400 -0.118 0.000 0.839 249 E CB 0.400 30.055 29.700 -0.075 0.000 1.069 249 E HN 0.436 nan 8.360 nan 0.000 0.399 250 L N 4.678 125.787 121.223 -0.190 0.000 2.456 250 L HA 0.155 4.511 4.340 0.027 0.000 0.272 250 L C 0.472 177.202 176.870 -0.233 0.000 1.189 250 L CA 0.331 55.029 54.840 -0.236 0.000 0.846 250 L CB 0.217 42.156 42.059 -0.200 0.000 1.111 250 L HN 0.376 nan 8.230 nan 0.000 0.475 251 R N 1.383 121.691 120.500 -0.319 0.000 2.668 251 R HA 0.185 4.541 4.340 0.027 0.000 0.272 251 R C -0.218 175.839 176.300 -0.406 0.000 1.019 251 R CA -0.837 54.998 56.100 -0.442 0.000 0.894 251 R CB 1.327 31.074 30.300 -0.922 0.000 1.228 251 R HN 0.469 nan 8.270 nan 0.000 0.460 252 D N 0.662 120.911 120.400 -0.252 0.000 2.263 252 D HA -0.134 4.523 4.640 0.027 0.000 0.208 252 D C 1.397 177.650 176.300 -0.078 0.000 0.971 252 D CA 1.450 55.387 54.000 -0.105 0.000 0.867 252 D CB 0.055 40.847 40.800 -0.012 0.000 0.929 252 D HN 0.570 nan 8.370 nan 0.000 0.492 253 Y N -0.618 119.694 120.300 0.020 0.000 2.529 253 Y HA 0.291 4.858 4.550 0.027 0.000 0.290 253 Y C 0.492 176.396 175.900 0.007 0.000 1.177 253 Y CA -0.468 57.640 58.100 0.014 0.000 1.305 253 Y CB -0.945 37.524 38.460 0.015 0.000 1.047 253 Y HN -0.196 nan 8.280 nan 0.000 0.522 254 L N 2.519 123.648 121.223 -0.157 0.000 2.452 254 L HA 0.314 4.670 4.340 0.027 0.000 0.267 254 L C 0.267 177.115 176.870 -0.036 0.000 1.188 254 L CA -0.098 54.735 54.840 -0.013 0.000 0.821 254 L CB 0.472 42.565 42.059 0.056 0.000 1.102 254 L HN 0.188 nan 8.230 nan 0.000 0.470 255 R N 1.491 121.866 120.500 -0.208 0.000 2.739 255 R HA 0.648 5.005 4.340 0.027 0.000 0.271 255 R C -1.577 174.378 176.300 -0.574 0.000 1.010 255 R CA -0.798 55.043 56.100 -0.432 0.000 0.897 255 R CB 2.136 32.073 30.300 -0.604 0.000 1.236 255 R HN 0.264 nan 8.270 nan 0.000 0.466 256 V N 1.096 120.717 119.914 -0.488 0.000 2.540 256 V HA 0.466 4.602 4.120 0.027 0.000 0.302 256 V C -0.323 175.711 176.094 -0.101 0.000 1.035 256 V CA -0.514 61.595 62.300 -0.319 0.000 0.873 256 V CB 2.211 33.771 31.823 -0.438 0.000 0.992 256 V HN 0.714 nan 8.190 nan 0.000 0.428 257 T N 4.266 118.875 114.554 0.091 0.000 2.807 257 T HA 0.634 5.001 4.350 0.027 0.000 0.279 257 T C -0.616 174.093 174.700 0.014 0.000 0.993 257 T CA -0.374 61.786 62.100 0.100 0.000 0.970 257 T CB 1.678 70.650 68.868 0.174 0.000 0.950 257 T HN 0.339 nan 8.240 nan 0.000 0.441 258 V N 3.741 123.646 119.914 -0.015 0.000 2.444 258 V HA 0.677 4.814 4.120 0.027 0.000 0.294 258 V C -0.074 176.016 176.094 -0.006 0.000 1.022 258 V CA -0.778 61.509 62.300 -0.021 0.000 0.850 258 V CB 1.733 33.533 31.823 -0.040 0.000 0.992 258 V HN 1.047 nan 8.190 nan 0.000 0.426 259 S N 5.247 120.966 115.700 0.031 0.000 2.536 259 S HA 0.874 5.360 4.470 0.027 0.000 0.298 259 S C -1.142 173.489 174.600 0.053 0.000 1.083 259 S CA -0.774 57.430 58.200 0.007 0.000 0.995 259 S CB 2.163 65.388 63.200 0.041 0.000 1.058 259 S HN 0.588 nan 8.310 nan 0.000 0.488 260 L N 2.377 123.539 121.223 -0.102 0.000 2.356 260 L HA 0.792 5.148 4.340 0.027 0.000 0.277 260 L C -1.977 174.817 176.870 -0.126 0.000 0.996 260 L CA -0.273 54.590 54.840 0.039 0.000 0.822 260 L CB 0.890 42.986 42.059 0.061 0.000 1.256 260 L HN 0.896 nan 8.230 nan 0.000 0.413 261 W N 3.607 125.006 121.300 0.165 0.000 2.761 261 W HA 0.590 5.266 4.660 0.027 0.000 0.340 261 W C -0.432 176.177 176.519 0.151 0.000 1.072 261 W CA -0.471 56.950 57.345 0.127 0.000 1.215 261 W CB 1.394 30.882 29.460 0.046 0.000 1.420 261 W HN 0.348 nan 8.180 nan 0.000 0.519 262 Q N 2.502 122.470 119.800 0.280 0.000 2.454 262 Q HA 0.439 4.795 4.340 0.027 0.000 0.255 262 Q C 0.570 176.595 176.000 0.042 0.000 1.034 262 Q CA 0.505 56.288 55.803 -0.033 0.000 0.736 262 Q CB 0.840 29.447 28.738 -0.217 0.000 1.210 262 Q HN 0.824 nan 8.270 nan 0.000 0.500 263 G N 3.620 112.450 108.800 0.050 0.000 2.550 263 G HA2 -0.319 3.657 3.960 0.027 0.000 0.277 263 G HA3 -0.319 3.657 3.960 0.027 0.000 0.277 263 G C 0.304 175.281 174.900 0.128 0.000 1.190 263 G CA 0.284 45.413 45.100 0.047 0.000 0.971 263 G HN 0.665 nan 8.290 nan 0.000 0.559 264 E N 0.926 121.194 120.200 0.113 0.000 2.465 264 E HA 0.155 4.521 4.350 0.027 0.000 0.191 264 E C 0.378 177.188 176.600 0.349 0.000 1.053 264 E CA 0.572 57.070 56.400 0.165 0.000 0.869 264 E CB 0.224 29.963 29.700 0.065 0.000 0.977 264 E HN 0.349 nan 8.360 nan 0.000 0.483 265 T N 1.522 116.260 114.554 0.307 0.000 2.767 265 T HA 0.133 4.499 4.350 0.027 0.000 0.288 265 T C -0.112 174.612 174.700 0.040 0.000 0.963 265 T CA -0.344 61.867 62.100 0.184 0.000 1.019 265 T CB 1.823 70.733 68.868 0.070 0.000 0.923 265 T HN 0.026 nan 8.240 nan 0.000 0.468 266 Q N 2.798 122.360 119.800 -0.397 0.000 2.279 266 Q HA 0.305 4.661 4.340 0.027 0.000 0.256 266 Q C 0.311 176.033 176.000 -0.463 0.000 0.937 266 Q CA -0.385 54.795 55.803 -1.038 0.000 0.933 266 Q CB 0.857 28.801 28.738 -1.324 0.000 1.189 266 Q HN 0.525 nan 8.270 nan 0.000 0.417 267 V N 2.694 122.401 119.914 -0.344 0.000 2.685 267 V HA 0.300 4.437 4.120 0.027 0.000 0.244 267 V C 0.226 176.221 176.094 -0.165 0.000 1.054 267 V CA 1.195 63.406 62.300 -0.147 0.000 1.076 267 V CB 0.424 32.251 31.823 0.006 0.000 0.725 267 V HN 0.819 nan 8.190 nan 0.000 0.467 268 A N -1.293 121.394 122.820 -0.222 0.000 2.586 268 A HA 0.758 5.094 4.320 0.027 0.000 0.291 268 A C -0.839 176.637 177.584 -0.179 0.000 1.062 268 A CA 0.042 51.980 52.037 -0.166 0.000 0.666 268 A CB 1.763 20.700 19.000 -0.105 0.000 1.281 268 A HN 0.050 nan 8.150 nan 0.000 0.421 269 S N -1.069 114.555 115.700 -0.126 0.000 2.550 269 S HA 0.831 5.318 4.470 0.027 0.000 0.270 269 S C -0.577 173.985 174.600 -0.064 0.000 1.145 269 S CA 0.224 58.364 58.200 -0.099 0.000 0.852 269 S CB 1.765 64.901 63.200 -0.106 0.000 1.119 269 S HN 2.375 nan 8.310 nan 0.000 0.465 270 G N 1.558 110.331 108.800 -0.045 0.000 2.746 270 G HA2 0.624 4.600 3.960 0.027 0.000 0.297 270 G HA3 0.624 4.600 3.960 0.027 0.000 0.297 270 G C -1.409 173.475 174.900 -0.027 0.000 1.426 270 G CA -0.389 44.688 45.100 -0.039 0.000 0.989 270 G HN 0.714 nan 8.290 nan 0.000 0.520 271 T N -0.173 114.367 114.554 -0.023 0.000 2.900 271 T HA 0.880 5.246 4.350 0.027 0.000 0.295 271 T C -0.318 174.348 174.700 -0.058 0.000 1.044 271 T CA -0.013 62.077 62.100 -0.016 0.000 0.995 271 T CB 1.889 70.783 68.868 0.043 0.000 1.072 271 T HN 1.603 nan 8.240 nan 0.000 0.473 272 A N 2.962 125.714 122.820 -0.114 0.000 2.612 272 A HA 0.905 5.241 4.320 0.027 0.000 0.293 272 A C -3.107 174.350 177.584 -0.211 0.000 1.075 272 A CA -1.569 50.388 52.037 -0.134 0.000 0.680 272 A CB 1.269 20.186 19.000 -0.139 0.000 1.279 272 A HN 0.535 nan 8.150 nan 0.000 0.411 273 P HA 0.552 nan 4.420 nan 0.000 0.278 273 P C -0.574 176.609 177.300 -0.196 0.000 1.266 273 P CA -0.301 62.711 63.100 -0.146 0.000 0.807 273 P CB 0.361 32.037 31.700 -0.040 0.000 1.094 274 F N -0.156 119.752 119.950 -0.070 0.000 2.440 274 F HA 0.474 5.017 4.527 0.026 0.000 0.323 274 F C 1.468 177.249 175.800 -0.032 0.000 1.192 274 F CA 1.507 59.476 58.000 -0.052 0.000 1.252 274 F CB 0.184 39.147 39.000 -0.061 0.000 1.214 274 F HN 0.578 nan 8.300 nan 0.000 0.578 275 G N 1.208 110.140 108.800 0.220 0.000 2.951 275 G HA2 0.361 4.337 3.960 0.027 0.000 0.508 275 G HA3 0.361 4.337 3.960 0.027 0.000 0.508 275 G C -0.593 174.363 174.900 0.093 0.000 1.203 275 G CA -0.744 44.434 45.100 0.129 0.000 1.209 275 G HN 1.026 nan 8.290 nan 0.000 0.552 276 G N 0.767 109.639 108.800 0.121 0.000 2.528 276 G HA2 0.749 4.725 3.960 0.027 0.000 0.289 276 G HA3 0.749 4.725 3.960 0.027 0.000 0.289 276 G C 0.453 175.398 174.900 0.076 0.000 1.192 276 G CA 0.015 45.176 45.100 0.102 0.000 0.921 276 G HN 1.123 nan 8.290 nan 0.000 0.512 277 E N -0.674 119.562 120.200 0.060 0.000 2.428 277 E HA 0.085 4.451 4.350 0.027 0.000 0.257 277 E C -0.424 176.203 176.600 0.044 0.000 1.197 277 E CA -0.664 55.761 56.400 0.041 0.000 0.974 277 E CB 0.470 30.189 29.700 0.031 0.000 0.976 277 E HN 0.063 nan 8.360 nan 0.000 0.463 278 I N 1.759 122.343 120.570 0.023 0.000 2.710 278 I HA -0.123 4.063 4.170 0.027 0.000 0.286 278 I C 1.067 177.196 176.117 0.019 0.000 1.181 278 I CA -0.041 61.265 61.300 0.010 0.000 1.430 278 I CB 0.203 38.203 38.000 0.001 0.000 1.367 278 I HN 0.638 nan 8.210 nan 0.000 0.577 279 I N 3.657 124.231 120.570 0.008 0.000 3.300 279 I HA 0.096 4.282 4.170 0.027 0.000 0.279 279 I C 0.488 176.607 176.117 0.004 0.000 1.172 279 I CA 0.725 62.039 61.300 0.025 0.000 1.431 279 I CB -0.562 37.456 38.000 0.029 0.000 1.240 279 I HN 0.659 nan 8.210 nan 0.000 0.453 280 D N -1.254 119.134 120.400 -0.021 0.000 2.921 280 D HA 0.130 4.786 4.640 0.027 0.000 0.329 280 D C 0.427 176.711 176.300 -0.026 0.000 1.293 280 D CA -0.406 53.582 54.000 -0.019 0.000 0.964 280 D CB 0.593 41.382 40.800 -0.019 0.000 1.435 280 D HN -0.284 nan 8.370 nan 0.000 0.548 281 E N -0.951 119.236 120.200 -0.022 0.000 2.209 281 E HA -0.061 4.305 4.350 0.027 0.000 0.196 281 E C 1.398 177.979 176.600 -0.031 0.000 0.993 281 E CA 1.061 57.447 56.400 -0.022 0.000 0.819 281 E CB -0.038 29.652 29.700 -0.017 0.000 0.745 281 E HN 0.228 nan 8.360 nan 0.000 0.477 282 R N -0.299 120.174 120.500 -0.046 0.000 2.317 282 R HA 0.285 4.641 4.340 0.027 0.000 0.208 282 R C 0.839 177.096 176.300 -0.070 0.000 0.914 282 R CA 0.712 56.778 56.100 -0.057 0.000 1.060 282 R CB 0.558 30.818 30.300 -0.067 0.000 1.015 282 R HN 0.208 nan 8.270 nan 0.000 0.498 283 G N -0.625 108.135 108.800 -0.067 0.000 2.341 283 G HA2 -0.066 3.910 3.960 0.027 0.000 0.196 283 G HA3 -0.066 3.910 3.960 0.027 0.000 0.196 283 G C -0.364 174.482 174.900 -0.090 0.000 1.231 283 G CA -0.637 44.423 45.100 -0.067 0.000 1.155 283 G HN 0.441 nan 8.290 nan 0.000 0.529 284 G N -1.975 106.767 108.800 -0.096 0.000 3.105 284 G HA2 0.634 4.610 3.960 0.027 0.000 0.277 284 G HA3 0.634 4.610 3.960 0.027 0.000 0.277 284 G C -1.515 173.277 174.900 -0.179 0.000 1.375 284 G CA -0.764 44.283 45.100 -0.089 0.000 0.962 284 G HN 0.750 nan 8.290 nan 0.000 0.541 285 Y N 1.146 121.455 120.300 0.014 0.000 2.504 285 Y HA 0.390 4.955 4.550 0.026 0.000 0.351 285 Y C 1.529 177.445 175.900 0.027 0.000 0.988 285 Y CA 0.185 58.294 58.100 0.017 0.000 1.239 285 Y CB 1.581 40.056 38.460 0.026 0.000 1.128 285 Y HN 0.544 nan 8.280 nan 0.000 0.525 286 A N 1.822 124.695 122.820 0.089 0.000 2.067 286 A HA -0.155 4.181 4.320 0.027 0.000 0.219 286 A C 1.379 179.010 177.584 0.077 0.000 1.158 286 A CA 1.437 53.515 52.037 0.068 0.000 0.661 286 A CB -0.277 18.724 19.000 0.003 0.000 0.801 286 A HN 0.792 nan 8.150 nan 0.000 0.452 287 D N -0.743 119.700 120.400 0.072 0.000 2.358 287 D HA 0.139 4.795 4.640 0.027 0.000 0.224 287 D C 0.473 176.840 176.300 0.110 0.000 1.123 287 D CA -0.028 53.932 54.000 -0.067 0.000 0.833 287 D CB -0.047 40.708 40.800 -0.076 0.000 0.946 287 D HN 0.429 nan 8.370 nan 0.000 0.505 288 R N -0.825 119.861 120.500 0.310 0.000 2.836 288 R HA 0.762 5.118 4.340 0.027 0.000 0.269 288 R C -1.553 174.912 176.300 0.276 0.000 1.010 288 R CA -1.157 55.129 56.100 0.310 0.000 0.930 288 R CB 3.003 33.352 30.300 0.081 0.000 1.218 288 R HN -0.028 nan 8.270 nan 0.000 0.473 289 V N 0.242 120.211 119.914 0.091 0.000 3.048 289 V HA 0.525 4.662 4.120 0.027 0.000 0.303 289 V C -1.527 174.526 176.094 -0.069 0.000 1.214 289 V CA -0.298 61.967 62.300 -0.058 0.000 0.984 289 V CB 2.798 34.463 31.823 -0.263 0.000 1.054 289 V HN 0.820 nan 8.190 nan 0.000 0.430 290 T N 7.105 121.624 114.554 -0.058 0.000 2.809 290 T HA 0.556 4.922 4.350 0.027 0.000 0.284 290 T C -0.860 173.805 174.700 -0.058 0.000 0.992 290 T CA -0.380 61.691 62.100 -0.048 0.000 0.957 290 T CB 1.017 69.869 68.868 -0.027 0.000 0.942 290 T HN 0.440 nan 8.240 nan 0.000 0.439 291 L N 3.654 124.841 121.223 -0.061 0.000 2.334 291 L HA 0.580 4.936 4.340 0.027 0.000 0.277 291 L C 0.511 177.353 176.870 -0.046 0.000 1.075 291 L CA -0.325 54.480 54.840 -0.059 0.000 0.804 291 L CB 1.164 43.186 42.059 -0.061 0.000 1.174 291 L HN 0.547 nan 8.230 nan 0.000 0.438 292 R N 4.161 124.634 120.500 -0.045 0.000 2.502 292 R HA 0.652 5.008 4.340 0.027 0.000 0.300 292 R C -1.259 175.014 176.300 -0.045 0.000 0.984 292 R CA -0.715 55.359 56.100 -0.044 0.000 0.882 292 R CB 2.067 32.341 30.300 -0.043 0.000 1.180 292 R HN 0.468 nan 8.270 nan 0.000 0.444 293 L N 2.878 124.076 121.223 -0.043 0.000 2.333 293 L HA 0.444 4.800 4.340 0.027 0.000 0.280 293 L C -0.448 176.395 176.870 -0.045 0.000 1.004 293 L CA -1.084 53.730 54.840 -0.043 0.000 0.820 293 L CB 1.939 43.977 42.059 -0.035 0.000 1.247 293 L HN 0.513 nan 8.230 nan 0.000 0.416 294 N N 1.714 120.382 118.700 -0.055 0.000 2.514 294 N HA 0.453 5.209 4.740 0.027 0.000 0.277 294 N C -1.015 174.447 175.510 -0.080 0.000 1.126 294 N CA -0.325 52.686 53.050 -0.064 0.000 0.978 294 N CB 1.687 40.139 38.487 -0.059 0.000 1.106 294 N HN 0.204 nan 8.380 nan 0.000 0.461 295 V N 1.471 121.321 119.914 -0.106 0.000 2.525 295 V HA 0.261 4.397 4.120 0.027 0.000 0.299 295 V C -0.488 175.519 176.094 -0.145 0.000 1.034 295 V CA -0.855 61.343 62.300 -0.170 0.000 0.863 295 V CB 1.525 33.144 31.823 -0.340 0.000 0.999 295 V HN 0.572 nan 8.190 nan 0.000 0.423 296 E N 2.959 123.099 120.200 -0.101 0.000 2.249 296 E HA 0.340 4.706 4.350 0.027 0.000 0.280 296 E C 0.223 176.795 176.600 -0.046 0.000 1.016 296 E CA -0.391 55.975 56.400 -0.057 0.000 0.830 296 E CB 0.841 30.519 29.700 -0.037 0.000 1.081 296 E HN 0.748 nan 8.360 nan 0.000 0.395 297 N N 0.746 119.440 118.700 -0.010 0.000 2.727 297 N HA -0.149 4.607 4.740 0.027 0.000 0.249 297 N C -2.479 173.034 175.510 0.004 0.000 1.048 297 N CA 0.346 53.406 53.050 0.018 0.000 0.714 297 N CB -1.275 37.225 38.487 0.021 0.000 0.959 297 N HN 0.353 nan 8.380 nan 0.000 0.544 298 P HA -0.040 nan 4.420 nan 0.000 0.266 298 P C -0.404 176.935 177.300 0.064 0.000 1.193 298 P CA 0.480 63.494 63.100 -0.144 0.000 0.770 298 P CB 0.679 32.115 31.700 -0.441 0.000 0.836 299 K N 2.640 123.161 120.400 0.202 0.000 2.310 299 K HA 0.273 4.609 4.320 0.027 0.000 0.290 299 K C 0.295 177.061 176.600 0.277 0.000 1.077 299 K CA -0.392 56.009 56.287 0.191 0.000 0.922 299 K CB 0.122 32.708 32.500 0.142 0.000 1.057 299 K HN 0.417 nan 8.250 nan 0.000 0.479 300 L N 2.357 123.678 121.223 0.163 0.000 2.436 300 L HA 0.264 4.620 4.340 0.027 0.000 0.265 300 L C 0.084 177.051 176.870 0.162 0.000 1.168 300 L CA -0.665 54.274 54.840 0.165 0.000 0.815 300 L CB 0.322 42.321 42.059 -0.101 0.000 1.109 300 L HN 0.608 nan 8.230 nan 0.000 0.462 301 W N 2.447 123.775 121.300 0.047 0.000 2.438 301 W HA 0.511 5.186 4.660 0.025 0.000 0.324 301 W C -0.091 176.376 176.519 -0.087 0.000 1.119 301 W CA 0.028 57.389 57.345 0.026 0.000 1.221 301 W CB 1.451 30.982 29.460 0.118 0.000 1.253 301 W HN 0.622 nan 8.180 nan 0.000 0.555 302 S N 2.724 117.902 115.700 -0.869 0.000 2.643 302 S HA 0.634 5.120 4.470 0.027 0.000 0.270 302 S C -0.068 173.737 174.600 -1.325 0.000 1.166 302 S CA -0.334 57.369 58.200 -0.828 0.000 0.815 302 S CB 1.059 64.062 63.200 -0.328 0.000 1.139 302 S HN 1.049 nan 8.310 nan 0.000 0.472 303 A N 0.214 122.451 122.820 -0.972 0.000 2.119 303 A HA 0.162 4.498 4.320 0.027 0.000 0.216 303 A C 1.688 178.949 177.584 -0.538 0.000 1.152 303 A CA 1.072 52.542 52.037 -0.945 0.000 0.708 303 A CB -0.824 17.491 19.000 -1.140 0.000 0.805 303 A HN 0.845 nan 8.150 nan 0.000 0.460 304 E N -0.720 119.298 120.200 -0.304 0.000 2.076 304 E HA 0.087 4.453 4.350 0.027 0.000 0.190 304 E C -0.296 176.161 176.600 -0.238 0.000 0.979 304 E CA 0.705 56.987 56.400 -0.196 0.000 0.807 304 E CB 0.078 29.794 29.700 0.027 0.000 0.761 304 E HN 0.567 nan 8.360 nan 0.000 0.454 305 I N 1.627 122.034 120.570 -0.273 0.000 2.576 305 I HA 0.135 4.321 4.170 0.027 0.000 0.279 305 I C -2.503 173.401 176.117 -0.354 0.000 1.114 305 I CA -1.762 59.402 61.300 -0.227 0.000 1.076 305 I CB 2.482 40.403 38.000 -0.132 0.000 1.212 305 I HN -0.194 nan 8.210 nan 0.000 0.472 306 P HA 0.063 nan 4.420 nan 0.000 0.225 306 P C -0.550 176.756 177.300 0.010 0.000 1.768 306 P CA -0.234 62.572 63.100 -0.490 0.000 0.943 306 P CB -0.306 31.258 31.700 -0.227 0.000 1.936 307 N N 1.499 120.223 118.700 0.039 0.000 2.411 307 N HA 0.074 4.830 4.740 0.027 0.000 0.261 307 N C 0.071 175.809 175.510 0.379 0.000 1.248 307 N CA 0.599 53.745 53.050 0.159 0.000 0.885 307 N CB 0.677 39.255 38.487 0.152 0.000 1.062 307 N HN 0.319 nan 8.380 nan 0.000 0.471 308 L N 2.586 123.955 121.223 0.244 0.000 2.381 308 L HA 0.454 4.810 4.340 0.027 0.000 0.268 308 L C -0.771 176.213 176.870 0.190 0.000 0.997 308 L CA -0.861 54.169 54.840 0.317 0.000 0.818 308 L CB 1.268 43.470 42.059 0.238 0.000 1.310 308 L HN 0.381 nan 8.230 nan 0.000 0.416 309 Y N 0.571 121.026 120.300 0.258 0.000 2.631 309 Y HA 0.646 5.213 4.550 0.027 0.000 0.328 309 Y C -0.105 175.915 175.900 0.200 0.000 1.118 309 Y CA -0.908 57.344 58.100 0.254 0.000 1.206 309 Y CB 1.428 40.108 38.460 0.366 0.000 1.337 309 Y HN 0.378 nan 8.280 nan 0.000 0.515 310 R N 0.964 121.695 120.500 0.386 0.000 2.409 310 R HA 0.772 5.128 4.340 0.027 0.000 0.313 310 R C -1.596 174.885 176.300 0.303 0.000 0.953 310 R CA -0.470 55.789 56.100 0.266 0.000 0.849 310 R CB 0.921 31.318 30.300 0.162 0.000 1.171 310 R HN 0.746 nan 8.270 nan 0.000 0.458 311 A N 3.887 126.829 122.820 0.203 0.000 2.274 311 A HA 0.609 4.945 4.320 0.027 0.000 0.309 311 A C -0.926 176.704 177.584 0.077 0.000 1.226 311 A CA -0.583 51.546 52.037 0.154 0.000 0.853 311 A CB 1.131 20.189 19.000 0.097 0.000 1.146 311 A HN 0.489 nan 8.150 nan 0.000 0.518 312 V N 3.454 123.418 119.914 0.085 0.000 2.495 312 V HA 0.400 4.536 4.120 0.027 0.000 0.298 312 V C -0.416 175.643 176.094 -0.058 0.000 1.031 312 V CA -0.474 61.816 62.300 -0.016 0.000 0.871 312 V CB 1.796 33.627 31.823 0.014 0.000 0.988 312 V HN 0.625 nan 8.190 nan 0.000 0.432 313 V N 4.647 124.463 119.914 -0.165 0.000 2.313 313 V HA 0.428 4.564 4.120 0.027 0.000 0.278 313 V C -0.069 175.963 176.094 -0.103 0.000 1.017 313 V CA -0.600 61.585 62.300 -0.192 0.000 0.823 313 V CB 1.158 32.719 31.823 -0.437 0.000 1.010 313 V HN 0.903 nan 8.190 nan 0.000 0.443 314 E N 3.740 123.931 120.200 -0.015 0.000 2.166 314 E HA 0.513 4.880 4.350 0.027 0.000 0.275 314 E C -1.040 175.649 176.600 0.148 0.000 0.941 314 E CA -0.878 55.562 56.400 0.068 0.000 0.784 314 E CB 2.516 32.276 29.700 0.099 0.000 1.115 314 E HN 0.467 nan 8.360 nan 0.000 0.399 315 L N 4.667 125.960 121.223 0.117 0.000 2.272 315 L HA 0.405 4.761 4.340 0.027 0.000 0.289 315 L C -0.927 176.041 176.870 0.165 0.000 1.032 315 L CA 0.134 55.028 54.840 0.090 0.000 0.810 315 L CB 0.116 42.215 42.059 0.066 0.000 1.205 315 L HN 0.706 nan 8.230 nan 0.000 0.422 316 H N 0.222 119.328 119.070 0.059 0.000 2.950 316 H HA 0.783 5.355 4.556 0.027 0.000 0.272 316 H C -0.835 174.562 175.328 0.116 0.000 1.495 316 H CA -0.494 55.596 56.048 0.070 0.000 1.183 316 H CB 0.659 30.444 29.762 0.039 0.000 1.867 316 H HN 0.485 nan 8.280 nan 0.000 0.597 317 T N -2.275 112.436 114.554 0.262 0.000 2.944 317 T HA 0.598 4.964 4.350 0.027 0.000 0.284 317 T C 1.263 176.118 174.700 0.258 0.000 1.010 317 T CA -0.420 61.830 62.100 0.250 0.000 1.025 317 T CB 1.654 70.635 68.868 0.188 0.000 1.079 317 T HN 0.929 nan 8.240 nan 0.000 0.516 318 A N 1.023 123.963 122.820 0.200 0.000 1.969 318 A HA -0.022 4.314 4.320 0.027 0.000 0.218 318 A C 1.759 179.413 177.584 0.116 0.000 1.169 318 A CA 1.514 53.643 52.037 0.154 0.000 0.635 318 A CB -1.002 18.075 19.000 0.128 0.000 0.810 318 A HN 0.963 nan 8.150 nan 0.000 0.445 319 D N -1.765 118.677 120.400 0.070 0.000 2.352 319 D HA 0.272 4.928 4.640 0.027 0.000 0.232 319 D C 1.051 177.376 176.300 0.041 0.000 1.055 319 D CA 0.787 54.804 54.000 0.028 0.000 0.891 319 D CB -0.720 40.065 40.800 -0.026 0.000 0.897 319 D HN 0.774 nan 8.370 nan 0.000 0.529 320 G N -0.837 108.019 108.800 0.092 0.000 2.131 320 G HA2 -0.224 3.752 3.960 0.027 0.000 0.223 320 G HA3 -0.224 3.752 3.960 0.027 0.000 0.223 320 G C 0.113 175.037 174.900 0.039 0.000 0.990 320 G CA 0.149 45.280 45.100 0.052 0.000 0.671 320 G HN 0.427 nan 8.290 nan 0.000 0.521 321 T N 1.157 115.758 114.554 0.079 0.000 2.767 321 T HA 0.539 4.905 4.350 0.027 0.000 0.288 321 T C 0.240 175.005 174.700 0.107 0.000 0.963 321 T CA -0.360 61.777 62.100 0.061 0.000 1.019 321 T CB 1.932 70.828 68.868 0.047 0.000 0.923 321 T HN 0.548 nan 8.240 nan 0.000 0.468 322 L N 4.752 126.015 121.223 0.066 0.000 2.380 322 L HA 0.378 4.734 4.340 0.027 0.000 0.273 322 L C 0.781 177.707 176.870 0.092 0.000 1.138 322 L CA 0.325 55.221 54.840 0.093 0.000 0.832 322 L CB 0.102 42.181 42.059 0.035 0.000 1.124 322 L HN 0.710 nan 8.230 nan 0.000 0.454 323 I N 2.441 123.078 120.570 0.111 0.000 2.512 323 I HA 0.111 4.297 4.170 0.027 0.000 0.247 323 I C 0.321 176.466 176.117 0.046 0.000 1.094 323 I CA 0.512 61.856 61.300 0.073 0.000 1.427 323 I CB 0.147 38.192 38.000 0.075 0.000 1.149 323 I HN 0.815 nan 8.210 nan 0.000 0.438 324 E N 0.183 120.411 120.200 0.047 0.000 2.422 324 E HA 0.698 5.064 4.350 0.027 0.000 0.280 324 E C -1.551 175.074 176.600 0.042 0.000 1.091 324 E CA -1.064 55.355 56.400 0.031 0.000 0.849 324 E CB 1.778 31.464 29.700 -0.024 0.000 1.353 324 E HN -0.010 nan 8.360 nan 0.000 0.449 325 A N 1.201 124.069 122.820 0.080 0.000 2.414 325 A HA 0.710 5.046 4.320 0.027 0.000 0.306 325 A C -0.974 176.720 177.584 0.184 0.000 1.054 325 A CA -0.707 51.382 52.037 0.085 0.000 0.724 325 A CB 1.678 20.724 19.000 0.077 0.000 1.267 325 A HN 0.522 nan 8.150 nan 0.000 0.418 326 E N -0.361 119.875 120.200 0.060 0.000 2.393 326 E HA 0.866 5.232 4.350 0.027 0.000 0.265 326 E C -0.445 176.179 176.600 0.039 0.000 0.941 326 E CA -0.467 56.030 56.400 0.162 0.000 0.801 326 E CB 2.380 32.073 29.700 -0.010 0.000 1.313 326 E HN 1.287 nan 8.360 nan 0.000 0.435 327 A N -0.308 122.638 122.820 0.210 0.000 2.515 327 A HA 0.690 5.026 4.320 0.027 0.000 0.292 327 A C -1.295 176.475 177.584 0.311 0.000 1.065 327 A CA -0.270 51.819 52.037 0.087 0.000 0.641 327 A CB 0.571 19.562 19.000 -0.015 0.000 1.306 327 A HN 0.909 nan 8.150 nan 0.000 0.441 328 C N -0.825 118.613 119.300 0.230 0.000 3.312 328 C HA 0.799 5.275 4.460 0.027 0.000 0.332 328 C C -1.408 173.678 174.990 0.159 0.000 1.340 328 C CA -0.910 58.249 59.018 0.236 0.000 1.265 328 C CB 0.968 28.866 27.740 0.264 0.000 1.563 328 C HN 0.838 nan 8.230 nan 0.000 0.471 329 D N 0.832 121.313 120.400 0.135 0.000 2.302 329 D HA 0.582 5.238 4.640 0.027 0.000 0.248 329 D C -0.441 175.914 176.300 0.091 0.000 1.094 329 D CA 0.159 54.238 54.000 0.131 0.000 0.897 329 D CB 1.840 42.721 40.800 0.136 0.000 1.200 329 D HN 0.566 nan 8.370 nan 0.000 0.429 330 V N 1.116 121.105 119.914 0.125 0.000 2.531 330 V HA 0.631 4.767 4.120 0.027 0.000 0.301 330 V C 0.513 176.678 176.094 0.118 0.000 1.034 330 V CA -0.898 61.422 62.300 0.034 0.000 0.865 330 V CB 2.023 33.848 31.823 0.003 0.000 0.995 330 V HN 0.601 nan 8.190 nan 0.000 0.424 331 G N 3.329 112.097 108.800 -0.052 0.000 2.468 331 G HA2 0.584 4.560 3.960 0.027 0.000 0.315 331 G HA3 0.584 4.560 3.960 0.027 0.000 0.315 331 G C -0.873 174.095 174.900 0.113 0.000 1.203 331 G CA -0.362 44.764 45.100 0.043 0.000 0.962 331 G HN 0.451 nan 8.290 nan 0.000 0.476 332 F N 4.057 124.190 119.950 0.306 0.000 2.468 332 F HA 0.396 4.939 4.527 0.026 0.000 0.356 332 F C 1.184 177.226 175.800 0.404 0.000 1.167 332 F CA 0.010 58.259 58.000 0.416 0.000 1.135 332 F CB 0.552 39.806 39.000 0.423 0.000 1.197 332 F HN 0.451 nan 8.300 nan 0.000 0.569 333 R N 3.218 123.995 120.500 0.462 0.000 2.634 333 R HA 0.369 4.725 4.340 0.027 0.000 0.263 333 R C -1.911 174.532 176.300 0.238 0.000 1.060 333 R CA -0.762 55.449 56.100 0.186 0.000 0.898 333 R CB 1.597 32.057 30.300 0.266 0.000 1.253 333 R HN 0.580 nan 8.270 nan 0.000 0.461 334 E N 2.425 122.692 120.200 0.111 0.000 2.183 334 E HA 0.484 4.851 4.350 0.027 0.000 0.271 334 E C -1.260 175.410 176.600 0.116 0.000 0.919 334 E CA -0.942 55.595 56.400 0.228 0.000 0.781 334 E CB 2.198 32.123 29.700 0.374 0.000 1.140 334 E HN 0.398 nan 8.360 nan 0.000 0.402 335 V N 5.410 125.384 119.914 0.100 0.000 2.444 335 V HA 0.557 4.693 4.120 0.027 0.000 0.294 335 V C -0.241 175.888 176.094 0.057 0.000 1.022 335 V CA -0.633 61.696 62.300 0.048 0.000 0.850 335 V CB 1.228 33.056 31.823 0.009 0.000 0.992 335 V HN 0.728 nan 8.190 nan 0.000 0.426 336 R N 4.448 124.979 120.500 0.051 0.000 2.710 336 R HA 0.714 5.070 4.340 0.027 0.000 0.270 336 R C -2.124 174.200 176.300 0.039 0.000 1.021 336 R CA -0.911 55.223 56.100 0.056 0.000 0.889 336 R CB 1.964 32.314 30.300 0.083 0.000 1.243 336 R HN 0.519 nan 8.270 nan 0.000 0.464 337 I N 1.315 121.908 120.570 0.038 0.000 2.354 337 I HA 0.374 4.560 4.170 0.027 0.000 0.292 337 I C -0.565 175.573 176.117 0.034 0.000 0.989 337 I CA -0.447 60.870 61.300 0.028 0.000 1.188 337 I CB 1.872 39.889 38.000 0.029 0.000 1.342 337 I HN 0.702 nan 8.210 nan 0.000 0.457 338 E N 5.492 125.709 120.200 0.027 0.000 2.304 338 E HA 0.247 4.613 4.350 0.027 0.000 0.277 338 E C -0.281 176.332 176.600 0.021 0.000 0.898 338 E CA -0.527 55.892 56.400 0.031 0.000 0.764 338 E CB 1.059 30.783 29.700 0.040 0.000 1.216 338 E HN 0.548 nan 8.360 nan 0.000 0.419 339 N N 3.011 121.724 118.700 0.021 0.000 2.714 339 N HA -0.243 4.513 4.740 0.027 0.000 0.250 339 N C 0.440 175.956 175.510 0.009 0.000 1.117 339 N CA 2.246 55.305 53.050 0.015 0.000 0.719 339 N CB -1.117 37.377 38.487 0.013 0.000 1.081 339 N HN 0.968 nan 8.380 nan 0.000 0.557 340 G N -2.534 106.272 108.800 0.009 0.000 2.176 340 G HA2 -0.253 3.723 3.960 0.027 0.000 0.232 340 G HA3 -0.253 3.723 3.960 0.027 0.000 0.232 340 G C -0.133 174.761 174.900 -0.010 0.000 0.986 340 G CA 0.336 45.438 45.100 0.002 0.000 0.643 340 G HN 0.432 nan 8.290 nan 0.000 0.522 341 L N 0.259 121.476 121.223 -0.009 0.000 2.346 341 L HA 0.743 5.099 4.340 0.027 0.000 0.274 341 L C 0.047 176.904 176.870 -0.022 0.000 1.007 341 L CA -1.329 53.496 54.840 -0.024 0.000 0.818 341 L CB 1.925 43.969 42.059 -0.025 0.000 1.284 341 L HN 0.100 nan 8.230 nan 0.000 0.424 342 L N 4.037 125.234 121.223 -0.043 0.000 2.278 342 L HA 0.440 4.796 4.340 0.027 0.000 0.287 342 L C -0.832 176.008 176.870 -0.049 0.000 1.072 342 L CA 0.405 55.219 54.840 -0.043 0.000 0.819 342 L CB 0.232 42.253 42.059 -0.064 0.000 1.176 342 L HN 0.384 nan 8.230 nan 0.000 0.435 343 L N 5.751 126.960 121.223 -0.023 0.000 2.334 343 L HA 0.557 4.913 4.340 0.027 0.000 0.273 343 L C -0.821 176.040 176.870 -0.015 0.000 1.013 343 L CA -0.877 53.954 54.840 -0.015 0.000 0.816 343 L CB 1.944 44.015 42.059 0.021 0.000 1.278 343 L HN 0.549 nan 8.230 nan 0.000 0.431 344 L N 3.440 124.662 121.223 -0.002 0.000 2.372 344 L HA 0.474 4.830 4.340 0.027 0.000 0.274 344 L C -0.357 176.499 176.870 -0.022 0.000 0.988 344 L CA -0.063 54.780 54.840 0.006 0.000 0.833 344 L CB 0.928 42.997 42.059 0.016 0.000 1.236 344 L HN 0.600 nan 8.230 nan 0.000 0.410 345 N N 4.095 122.641 118.700 -0.256 0.000 2.740 345 N HA -0.214 4.542 4.740 0.027 0.000 0.248 345 N C 0.932 175.998 175.510 -0.740 0.000 1.062 345 N CA 1.322 53.864 53.050 -0.845 0.000 0.704 345 N CB -1.282 36.642 38.487 -0.939 0.000 0.968 345 N HN 1.191 nan 8.380 nan 0.000 0.547 346 G N -1.736 106.933 108.800 -0.219 0.000 2.205 346 G HA2 -0.360 3.616 3.960 0.027 0.000 0.261 346 G HA3 -0.360 3.616 3.960 0.027 0.000 0.261 346 G C -0.066 174.843 174.900 0.015 0.000 0.980 346 G CA 0.960 46.070 45.100 0.018 0.000 0.632 346 G HN 0.466 nan 8.290 nan 0.000 0.533 347 K N 1.097 121.500 120.400 0.004 0.000 2.207 347 K HA 0.502 4.838 4.320 0.027 0.000 0.255 347 K C -2.895 173.672 176.600 -0.055 0.000 0.941 347 K CA -2.078 54.185 56.287 -0.040 0.000 0.825 347 K CB 2.664 35.079 32.500 -0.142 0.000 1.119 347 K HN 0.065 nan 8.250 nan 0.000 0.430 348 P HA 0.170 nan 4.420 nan 0.000 0.276 348 P C -0.095 177.138 177.300 -0.113 0.000 1.253 348 P CA -0.185 62.865 63.100 -0.084 0.000 0.766 348 P CB 0.470 32.126 31.700 -0.075 0.000 0.845 349 L N 3.409 124.561 121.223 -0.118 0.000 2.464 349 L HA 0.259 4.615 4.340 0.027 0.000 0.264 349 L C 0.641 177.426 176.870 -0.141 0.000 1.199 349 L CA -0.483 54.276 54.840 -0.134 0.000 0.818 349 L CB 0.249 42.188 42.059 -0.200 0.000 1.102 349 L HN 0.267 nan 8.230 nan 0.000 0.473 350 L N 3.580 124.736 121.223 -0.112 0.000 2.427 350 L HA 0.409 4.765 4.340 0.027 0.000 0.264 350 L C -0.499 176.318 176.870 -0.089 0.000 0.989 350 L CA -0.271 54.485 54.840 -0.139 0.000 0.865 350 L CB 0.890 42.893 42.059 -0.093 0.000 1.209 350 L HN 0.238 nan 8.230 nan 0.000 0.430 351 I N 4.714 125.162 120.570 -0.203 0.000 2.436 351 I HA 0.171 4.357 4.170 0.027 0.000 0.289 351 I C 0.592 176.670 176.117 -0.064 0.000 1.083 351 I CA 0.233 61.429 61.300 -0.173 0.000 1.372 351 I CB 0.378 38.161 38.000 -0.361 0.000 1.408 351 I HN 0.547 nan 8.210 nan 0.000 0.516 352 R N 4.735 125.279 120.500 0.075 0.000 2.937 352 R HA 0.437 4.793 4.340 0.027 0.000 0.264 352 R C 0.457 176.866 176.300 0.181 0.000 1.334 352 R CA -0.276 55.912 56.100 0.147 0.000 1.516 352 R CB 0.981 31.188 30.300 -0.154 0.000 1.187 352 R HN 0.780 nan 8.270 nan 0.000 0.609 353 G N 0.128 109.007 108.800 0.132 0.000 2.509 353 G HA2 0.588 4.564 3.960 0.027 0.000 0.328 353 G HA3 0.588 4.564 3.960 0.027 0.000 0.328 353 G C -1.284 173.906 174.900 0.482 0.000 1.194 353 G CA -0.466 44.700 45.100 0.111 0.000 0.967 353 G HN 0.232 nan 8.290 nan 0.000 0.488 354 V N 0.227 120.394 119.914 0.421 0.000 2.932 354 V HA 0.438 4.574 4.120 0.027 0.000 0.307 354 V C -1.044 175.155 176.094 0.174 0.000 1.147 354 V CA -1.212 61.212 62.300 0.206 0.000 0.951 354 V CB 2.132 33.772 31.823 -0.305 0.000 1.031 354 V HN 0.779 nan 8.190 nan 0.000 0.426 355 N N 4.451 123.172 118.700 0.034 0.000 2.530 355 N HA 0.421 5.177 4.740 0.027 0.000 0.273 355 N C -0.639 174.631 175.510 -0.400 0.000 1.173 355 N CA -0.201 52.717 53.050 -0.220 0.000 0.967 355 N CB 1.263 39.534 38.487 -0.360 0.000 1.109 355 N HN 0.632 nan 8.380 nan 0.000 0.453 356 R N 1.964 122.195 120.500 -0.449 0.000 2.512 356 R HA 0.187 4.543 4.340 0.027 0.000 0.291 356 R C -1.045 174.988 176.300 -0.446 0.000 1.097 356 R CA -0.546 55.317 56.100 -0.395 0.000 0.940 356 R CB 0.793 30.857 30.300 -0.393 0.000 1.198 356 R HN 0.605 nan 8.270 nan 0.000 0.429 357 H N 1.952 120.851 119.070 -0.285 0.000 2.546 357 H HA 0.136 4.708 4.556 0.027 0.000 0.365 357 H C -0.469 174.843 175.328 -0.027 0.000 1.220 357 H CA 0.068 56.051 56.048 -0.107 0.000 1.386 357 H CB 1.387 31.152 29.762 0.005 0.000 1.510 357 H HN 0.545 nan 8.280 nan 0.000 0.591 358 E N 1.621 122.006 120.200 0.308 0.000 1.941 358 E HA 0.089 4.456 4.350 0.027 0.000 0.275 358 E C -0.785 175.954 176.600 0.231 0.000 1.113 358 E CA -0.007 56.497 56.400 0.174 0.000 0.878 358 E CB 0.151 29.990 29.700 0.231 0.000 1.070 358 E HN 0.361 nan 8.360 nan 0.000 0.399 359 H N 1.761 120.879 119.070 0.081 0.000 2.856 359 H HA 0.253 4.825 4.556 0.027 0.000 0.355 359 H C -1.631 173.728 175.328 0.052 0.000 1.079 359 H CA -0.642 55.446 56.048 0.066 0.000 1.240 359 H CB 0.989 30.774 29.762 0.038 0.000 1.701 359 H HN 0.383 nan 8.280 nan 0.000 0.527 360 H N 6.375 125.087 119.070 -0.597 0.000 2.689 360 H HA 0.213 4.785 4.556 0.027 0.000 0.346 360 H C -2.260 172.734 175.328 -0.558 0.000 1.037 360 H CA -2.395 53.433 56.048 -0.366 0.000 1.234 360 H CB 2.645 32.309 29.762 -0.164 0.000 1.572 360 H HN 0.543 nan 8.280 nan 0.000 0.524 361 P HA -0.083 nan 4.420 nan 0.000 0.220 361 P C 1.144 178.345 177.300 -0.165 0.000 1.148 361 P CA 0.844 63.798 63.100 -0.244 0.000 0.803 361 P CB 0.752 32.354 31.700 -0.163 0.000 0.782 362 L N -1.951 119.272 121.223 0.001 0.000 2.388 362 L HA 0.125 4.482 4.340 0.027 0.000 0.209 362 L C 2.208 178.885 176.870 -0.321 0.000 1.061 362 L CA 0.657 55.363 54.840 -0.223 0.000 0.834 362 L CB -0.869 40.966 42.059 -0.374 0.000 1.029 362 L HN -0.010 nan 8.230 nan 0.000 0.473 363 H N -0.283 118.745 119.070 -0.070 0.000 2.539 363 H HA 0.259 4.831 4.556 0.027 0.000 0.269 363 H C 1.504 176.719 175.328 -0.189 0.000 0.980 363 H CA 0.208 56.129 56.048 -0.211 0.000 1.152 363 H CB 0.428 29.964 29.762 -0.377 0.000 1.407 363 H HN 0.392 nan 8.280 nan 0.000 0.564 364 G N 1.413 110.114 108.800 -0.165 0.000 2.609 364 G HA2 -0.389 3.587 3.960 0.027 0.000 0.288 364 G HA3 -0.389 3.587 3.960 0.027 0.000 0.288 364 G C 0.733 175.525 174.900 -0.179 0.000 1.211 364 G CA 0.418 45.358 45.100 -0.266 0.000 0.963 364 G HN 0.459 nan 8.290 nan 0.000 0.541 365 Q N -0.056 119.682 119.800 -0.105 0.000 2.219 365 Q HA 0.457 4.813 4.340 0.027 0.000 0.209 365 Q C 0.206 176.314 176.000 0.181 0.000 0.854 365 Q CA -0.071 55.724 55.803 -0.013 0.000 0.960 365 Q CB 1.574 30.186 28.738 -0.210 0.000 1.116 365 Q HN 0.372 nan 8.270 nan 0.000 0.500 366 V N 2.077 122.065 119.914 0.124 0.000 2.455 366 V HA 0.148 4.284 4.120 0.027 0.000 0.273 366 V C 0.067 176.211 176.094 0.083 0.000 1.045 366 V CA -0.001 62.371 62.300 0.119 0.000 0.976 366 V CB 0.782 32.611 31.823 0.009 0.000 0.993 366 V HN 0.281 nan 8.190 nan 0.000 0.475 367 M N 5.683 125.331 119.600 0.079 0.000 2.363 367 M HA 0.478 4.974 4.480 0.027 0.000 0.343 367 M C -0.259 176.000 176.300 -0.067 0.000 1.165 367 M CA -1.037 54.270 55.300 0.012 0.000 1.046 367 M CB 1.425 33.989 32.600 -0.061 0.000 1.648 367 M HN 0.861 nan 8.290 nan 0.000 0.452 368 D N 0.836 121.212 120.400 -0.040 0.000 2.477 368 D HA 0.210 4.866 4.640 0.027 0.000 0.234 368 D C 0.051 176.338 176.300 -0.021 0.000 1.048 368 D CA -0.426 53.548 54.000 -0.044 0.000 0.959 368 D CB 1.466 42.262 40.800 -0.006 0.000 1.408 368 D HN 0.724 nan 8.370 nan 0.000 0.496 369 E N 0.215 120.415 120.200 -0.001 0.000 2.077 369 E HA -0.271 4.095 4.350 0.027 0.000 0.193 369 E C 1.737 178.386 176.600 0.081 0.000 0.989 369 E CA 1.105 57.531 56.400 0.044 0.000 0.800 369 E CB 0.120 29.860 29.700 0.066 0.000 0.746 369 E HN 0.530 nan 8.360 nan 0.000 0.452 370 Q N -0.186 119.663 119.800 0.081 0.000 2.061 370 Q HA -0.164 4.192 4.340 0.027 0.000 0.204 370 Q C 2.014 178.080 176.000 0.109 0.000 0.984 370 Q CA 2.296 58.156 55.803 0.095 0.000 0.846 370 Q CB -0.047 28.747 28.738 0.094 0.000 0.902 370 Q HN 0.331 nan 8.270 nan 0.000 0.421 371 T N 0.834 115.464 114.554 0.126 0.000 2.777 371 T HA -0.132 4.234 4.350 0.027 0.000 0.266 371 T C 1.851 176.637 174.700 0.142 0.000 1.040 371 T CA 1.457 63.642 62.100 0.143 0.000 1.141 371 T CB -0.143 68.837 68.868 0.187 0.000 0.868 371 T HN 0.296 nan 8.240 nan 0.000 0.444 372 M N 0.568 120.257 119.600 0.150 0.000 2.065 372 M HA -0.107 4.389 4.480 0.027 0.000 0.259 372 M C 2.505 178.926 176.300 0.202 0.000 1.069 372 M CA 1.411 56.871 55.300 0.266 0.000 1.110 372 M CB -0.753 32.043 32.600 0.326 0.000 1.328 372 M HN 0.079 nan 8.290 nan 0.000 0.405 373 V N 0.341 120.319 119.914 0.106 0.000 2.287 373 V HA -0.322 3.814 4.120 0.027 0.000 0.248 373 V C 2.380 178.460 176.094 -0.023 0.000 1.053 373 V CA 2.247 64.546 62.300 -0.003 0.000 1.027 373 V CB -0.875 30.987 31.823 0.065 0.000 0.646 373 V HN 0.570 nan 8.190 nan 0.000 0.447 374 Q N -0.393 119.443 119.800 0.059 0.000 2.061 374 Q HA -0.286 4.070 4.340 0.027 0.000 0.204 374 Q C 1.977 178.042 176.000 0.108 0.000 0.984 374 Q CA 2.287 58.139 55.803 0.080 0.000 0.846 374 Q CB -0.171 28.632 28.738 0.107 0.000 0.902 374 Q HN 0.627 nan 8.270 nan 0.000 0.421 375 D N 0.241 120.727 120.400 0.143 0.000 2.097 375 D HA -0.143 4.513 4.640 0.027 0.000 0.195 375 D C 1.913 178.179 176.300 -0.057 0.000 0.989 375 D CA 1.173 55.264 54.000 0.152 0.000 0.827 375 D CB -0.197 40.682 40.800 0.132 0.000 0.966 375 D HN 0.359 nan 8.370 nan 0.000 0.456 376 I N 0.585 121.104 120.570 -0.085 0.000 2.226 376 I HA -0.235 3.951 4.170 0.027 0.000 0.245 376 I C 2.425 178.397 176.117 -0.241 0.000 1.100 376 I CA 0.587 61.733 61.300 -0.256 0.000 1.374 376 I CB -0.090 37.642 38.000 -0.446 0.000 1.057 376 I HN 0.004 nan 8.210 nan 0.000 0.413 377 L N 0.024 121.136 121.223 -0.186 0.000 2.017 377 L HA -0.237 4.119 4.340 0.027 0.000 0.208 377 L C 2.533 179.452 176.870 0.082 0.000 1.073 377 L CA 1.472 56.284 54.840 -0.046 0.000 0.745 377 L CB -0.522 41.533 42.059 -0.008 0.000 0.894 377 L HN 0.280 nan 8.230 nan 0.000 0.432 378 L N -1.172 120.128 121.223 0.128 0.000 2.093 378 L HA -0.229 4.127 4.340 0.027 0.000 0.208 378 L C 2.656 179.682 176.870 0.261 0.000 1.085 378 L CA 1.169 56.168 54.840 0.266 0.000 0.755 378 L CB -0.303 42.033 42.059 0.462 0.000 0.904 378 L HN 0.292 nan 8.230 nan 0.000 0.435 379 M N -0.592 118.995 119.600 -0.022 0.000 2.067 379 M HA -0.241 4.256 4.480 0.027 0.000 0.260 379 M C 2.322 178.710 176.300 0.147 0.000 1.069 379 M CA 1.879 57.091 55.300 -0.147 0.000 1.117 379 M CB -0.295 31.996 32.600 -0.515 0.000 1.334 379 M HN 0.080 nan 8.290 nan 0.000 0.407 380 K N -0.116 120.267 120.400 -0.027 0.000 2.097 380 K HA -0.177 4.159 4.320 0.027 0.000 0.206 380 K C 1.957 178.544 176.600 -0.022 0.000 1.049 380 K CA 1.288 57.453 56.287 -0.203 0.000 0.933 380 K CB -0.164 32.042 32.500 -0.490 0.000 0.717 380 K HN 0.447 nan 8.250 nan 0.000 0.442 381 Q N 0.363 120.311 119.800 0.247 0.000 2.224 381 Q HA -0.045 4.311 4.340 0.027 0.000 0.203 381 Q C 0.843 177.121 176.000 0.463 0.000 0.970 381 Q CA 0.828 56.885 55.803 0.423 0.000 0.865 381 Q CB 0.130 29.088 28.738 0.366 0.000 0.922 381 Q HN 0.267 nan 8.270 nan 0.000 0.445 382 N N 0.794 119.726 118.700 0.386 0.000 2.327 382 N HA 0.047 4.803 4.740 0.027 0.000 0.231 382 N C -0.622 174.973 175.510 0.142 0.000 1.130 382 N CA 0.041 53.306 53.050 0.359 0.000 0.845 382 N CB 0.613 39.384 38.487 0.473 0.000 1.073 382 N HN 0.186 nan 8.380 nan 0.000 0.496 383 N N -0.090 118.705 118.700 0.159 0.000 2.850 383 N HA -0.185 4.571 4.740 0.027 0.000 0.249 383 N C -0.771 174.617 175.510 -0.203 0.000 1.060 383 N CA 0.804 53.886 53.050 0.053 0.000 0.825 383 N CB -1.745 36.699 38.487 -0.071 0.000 1.132 383 N HN 0.268 nan 8.380 nan 0.000 0.564 384 F N 1.173 121.131 119.950 0.014 0.000 2.375 384 F HA 0.331 4.873 4.527 0.026 0.000 0.333 384 F C 1.735 177.514 175.800 -0.036 0.000 1.104 384 F CA -0.485 57.502 58.000 -0.022 0.000 1.149 384 F CB 0.873 39.822 39.000 -0.085 0.000 1.190 384 F HN 0.041 nan 8.300 nan 0.000 0.533 385 N N 0.620 119.419 118.700 0.165 0.000 2.143 385 N HA 0.412 5.168 4.740 0.027 0.000 0.222 385 N C -0.826 174.708 175.510 0.040 0.000 1.264 385 N CA -0.023 53.047 53.050 0.032 0.000 0.897 385 N CB 0.707 39.247 38.487 0.089 0.000 1.092 385 N HN 0.457 nan 8.380 nan 0.000 0.516 386 A N -0.424 122.506 122.820 0.183 0.000 2.587 386 A HA 0.792 5.128 4.320 0.027 0.000 0.293 386 A C -1.677 176.121 177.584 0.356 0.000 1.087 386 A CA -0.724 51.486 52.037 0.289 0.000 0.692 386 A CB 1.914 21.130 19.000 0.359 0.000 1.291 386 A HN 0.254 nan 8.150 nan 0.000 0.407 387 V N 0.934 121.110 119.914 0.436 0.000 2.888 387 V HA 0.793 4.930 4.120 0.027 0.000 0.309 387 V C -0.721 175.496 176.094 0.204 0.000 1.114 387 V CA -0.717 61.785 62.300 0.337 0.000 0.940 387 V CB 1.909 33.857 31.823 0.208 0.000 1.021 387 V HN 1.155 nan 8.190 nan 0.000 0.426 388 R N 4.923 125.385 120.500 -0.064 0.000 2.393 388 R HA 0.488 4.844 4.340 0.027 0.000 0.310 388 R C -0.777 175.358 176.300 -0.275 0.000 0.968 388 R CA -0.461 55.398 56.100 -0.401 0.000 0.867 388 R CB 1.182 30.966 30.300 -0.860 0.000 1.124 388 R HN 0.802 nan 8.270 nan 0.000 0.450 389 C N 4.500 123.674 119.300 -0.210 0.000 3.183 389 C HA 0.113 4.590 4.460 0.027 0.000 0.545 389 C C 0.555 175.248 174.990 -0.495 0.000 1.044 389 C CA -0.415 58.429 59.018 -0.289 0.000 1.117 389 C CB -2.075 25.610 27.740 -0.092 0.000 1.393 389 C HN 0.736 nan 8.230 nan 0.000 0.611 390 S N 1.444 116.732 115.700 -0.687 0.000 2.498 390 S HA 0.142 4.628 4.470 0.027 0.000 0.281 390 S C -0.135 173.559 174.600 -1.510 0.000 1.265 390 S CA 0.246 57.769 58.200 -1.129 0.000 1.071 390 S CB 0.133 62.628 63.200 -1.175 0.000 0.894 390 S HN 0.728 nan 8.310 nan 0.000 0.491 391 H N 3.810 122.329 119.070 -0.919 0.000 2.439 391 H HA 0.333 4.905 4.556 0.026 0.000 0.228 391 H C -1.161 174.088 175.328 -0.132 0.000 1.423 391 H CA -0.349 55.526 56.048 -0.288 0.000 1.386 391 H CB -0.118 29.659 29.762 0.025 0.000 1.641 391 H HN 0.894 nan 8.280 nan 0.000 0.508 392 Y N -2.640 117.758 120.300 0.164 0.000 2.765 392 Y HA 0.374 4.941 4.550 0.028 0.000 0.350 392 Y C -3.372 172.634 175.900 0.177 0.000 1.196 392 Y CA -2.951 55.258 58.100 0.183 0.000 1.119 392 Y CB 0.032 38.609 38.460 0.194 0.000 1.368 392 Y HN -0.056 nan 8.280 nan 0.000 0.463 393 P HA 0.178 nan 4.420 nan 0.000 0.271 393 P C -0.575 177.014 177.300 0.480 0.000 1.216 393 P CA 0.090 63.440 63.100 0.417 0.000 0.776 393 P CB 0.611 32.490 31.700 0.299 0.000 0.881 394 N N 0.493 119.497 118.700 0.507 0.000 2.448 394 N HA 0.086 4.842 4.740 0.027 0.000 0.274 394 N C 0.115 175.883 175.510 0.429 0.000 1.239 394 N CA -0.562 52.704 53.050 0.360 0.000 0.982 394 N CB 0.317 38.817 38.487 0.022 0.000 1.199 394 N HN 0.602 nan 8.380 nan 0.000 0.576 395 H N 2.334 121.524 119.070 0.199 0.000 3.001 395 H HA -0.001 4.571 4.556 0.027 0.000 0.334 395 H C -1.638 173.864 175.328 0.290 0.000 1.034 395 H CA -0.686 55.461 56.048 0.165 0.000 1.420 395 H CB 0.984 30.809 29.762 0.105 0.000 1.405 395 H HN 0.417 nan 8.280 nan 0.000 0.593 396 P HA -0.185 nan 4.420 nan 0.000 0.219 396 P C 1.714 179.327 177.300 0.523 0.000 1.146 396 P CA 0.583 63.918 63.100 0.392 0.000 0.808 396 P CB 0.246 32.023 31.700 0.129 0.000 0.779 397 L N -1.112 120.535 121.223 0.707 0.000 2.275 397 L HA -0.002 4.354 4.340 0.027 0.000 0.215 397 L C 2.332 179.378 176.870 0.293 0.000 1.119 397 L CA 1.188 56.284 54.840 0.428 0.000 0.790 397 L CB -1.382 40.880 42.059 0.337 0.000 0.919 397 L HN -0.003 nan 8.230 nan 0.000 0.443 398 W N -0.415 120.935 121.300 0.083 0.000 2.335 398 W HA -0.327 4.349 4.660 0.026 0.000 0.311 398 W C 2.047 178.436 176.519 -0.217 0.000 1.213 398 W CA 1.997 59.254 57.345 -0.147 0.000 1.274 398 W CB -0.401 28.874 29.460 -0.308 0.000 1.148 398 W HN 0.265 nan 8.180 nan 0.000 0.498 399 Y N 0.739 120.964 120.300 -0.125 0.000 2.181 399 Y HA -0.220 4.345 4.550 0.026 0.000 0.288 399 Y C 2.897 178.550 175.900 -0.412 0.000 1.146 399 Y CA 2.224 60.043 58.100 -0.469 0.000 1.164 399 Y CB -1.334 36.552 38.460 -0.956 0.000 0.982 399 Y HN -0.225 nan 8.280 nan 0.000 0.515 400 T N 0.629 115.174 114.554 -0.015 0.000 2.759 400 T HA -0.160 4.206 4.350 0.027 0.000 0.269 400 T C 1.975 176.699 174.700 0.040 0.000 1.042 400 T CA 1.341 63.513 62.100 0.119 0.000 1.140 400 T CB -0.495 68.499 68.868 0.211 0.000 0.864 400 T HN 0.231 nan 8.240 nan 0.000 0.455 401 L N 0.148 121.353 121.223 -0.030 0.000 2.072 401 L HA -0.073 4.283 4.340 0.027 0.000 0.205 401 L C 2.856 179.696 176.870 -0.051 0.000 1.079 401 L CA 0.863 55.709 54.840 0.009 0.000 0.752 401 L CB -0.608 41.422 42.059 -0.048 0.000 0.906 401 L HN 0.377 nan 8.230 nan 0.000 0.436 402 C N -0.195 118.909 119.300 -0.327 0.000 2.429 402 C HA -0.143 4.333 4.460 0.027 0.000 0.277 402 C C 2.397 177.418 174.990 0.051 0.000 1.262 402 C CA 0.415 59.275 59.018 -0.264 0.000 1.733 402 C CB -0.768 26.703 27.740 -0.448 0.000 2.010 402 C HN 0.533 nan 8.230 nan 0.000 0.483 403 D N 0.443 120.880 120.400 0.061 0.000 2.117 403 D HA -0.095 4.561 4.640 0.027 0.000 0.197 403 D C 2.407 178.915 176.300 0.346 0.000 0.987 403 D CA 1.168 55.287 54.000 0.197 0.000 0.829 403 D CB -0.329 40.542 40.800 0.118 0.000 0.961 403 D HN 0.527 nan 8.370 nan 0.000 0.460 404 R N -1.053 119.538 120.500 0.151 0.000 2.100 404 R HA 0.017 4.374 4.340 0.027 0.000 0.220 404 R C 2.021 178.285 176.300 -0.060 0.000 1.091 404 R CA 0.569 56.690 56.100 0.036 0.000 0.986 404 R CB -0.156 30.090 30.300 -0.090 0.000 0.888 404 R HN 0.291 nan 8.270 nan 0.000 0.444 405 Y N -0.096 120.216 120.300 0.020 0.000 2.490 405 Y HA 0.167 4.733 4.550 0.026 0.000 0.285 405 Y C 0.968 176.802 175.900 -0.111 0.000 1.117 405 Y CA 0.642 58.725 58.100 -0.029 0.000 1.262 405 Y CB 0.803 39.215 38.460 -0.081 0.000 1.043 405 Y HN 0.236 nan 8.280 nan 0.000 0.553 406 G N 1.321 110.160 108.800 0.066 0.000 2.894 406 G HA2 -0.160 3.816 3.960 0.027 0.000 0.263 406 G HA3 -0.160 3.816 3.960 0.027 0.000 0.263 406 G C -1.136 173.602 174.900 -0.271 0.000 1.013 406 G CA -0.524 44.478 45.100 -0.164 0.000 1.226 406 G HN 0.165 nan 8.290 nan 0.000 0.563 407 L N 0.707 121.847 121.223 -0.139 0.000 2.445 407 L HA 0.507 4.863 4.340 0.027 0.000 0.262 407 L C 0.038 176.891 176.870 -0.028 0.000 0.974 407 L CA -1.337 53.371 54.840 -0.219 0.000 0.822 407 L CB 2.038 44.004 42.059 -0.155 0.000 1.339 407 L HN 0.428 nan 8.230 nan 0.000 0.409 408 Y N 1.649 122.075 120.300 0.209 0.000 2.359 408 Y HA 0.366 4.934 4.550 0.030 0.000 0.330 408 Y C 0.181 176.209 175.900 0.213 0.000 1.143 408 Y CA -0.717 57.542 58.100 0.266 0.000 1.318 408 Y CB 1.291 39.884 38.460 0.222 0.000 1.234 408 Y HN 0.146 nan 8.280 nan 0.000 0.522 409 V N 4.285 124.390 119.914 0.318 0.000 2.604 409 V HA 0.312 4.448 4.120 0.027 0.000 0.305 409 V C -0.561 175.614 176.094 0.134 0.000 1.043 409 V CA -1.009 61.414 62.300 0.205 0.000 0.888 409 V CB 1.883 33.790 31.823 0.141 0.000 0.995 409 V HN 0.453 nan 8.190 nan 0.000 0.429 410 V N 3.193 123.150 119.914 0.071 0.000 2.333 410 V HA 0.341 4.477 4.120 0.027 0.000 0.274 410 V C -0.360 175.766 176.094 0.053 0.000 1.028 410 V CA -0.334 61.961 62.300 -0.010 0.000 0.851 410 V CB 1.467 33.176 31.823 -0.191 0.000 1.000 410 V HN 0.894 nan 8.190 nan 0.000 0.456 411 D N 4.148 124.629 120.400 0.134 0.000 2.232 411 D HA 0.362 5.019 4.640 0.027 0.000 0.242 411 D C -0.291 176.205 176.300 0.328 0.000 1.093 411 D CA -0.136 54.043 54.000 0.298 0.000 0.845 411 D CB 1.357 42.402 40.800 0.408 0.000 1.124 411 D HN 0.698 nan 8.370 nan 0.000 0.467 412 E N 2.030 122.382 120.200 0.253 0.000 2.222 412 E HA 0.642 5.008 4.350 0.027 0.000 0.267 412 E C -1.032 175.707 176.600 0.231 0.000 0.884 412 E CA -1.086 55.451 56.400 0.227 0.000 0.764 412 E CB 1.409 31.194 29.700 0.141 0.000 1.169 412 E HN 0.454 nan 8.360 nan 0.000 0.413 413 A N 3.660 126.609 122.820 0.215 0.000 2.483 413 A HA 0.063 4.399 4.320 0.027 0.000 0.238 413 A C 0.274 177.988 177.584 0.216 0.000 1.070 413 A CA -0.183 51.962 52.037 0.180 0.000 0.770 413 A CB 0.120 19.190 19.000 0.117 0.000 1.008 413 A HN 0.686 nan 8.150 nan 0.000 0.497 414 N N 1.191 120.026 118.700 0.225 0.000 3.050 414 N HA 0.303 5.059 4.740 0.027 0.000 0.289 414 N C -1.094 174.549 175.510 0.222 0.000 1.209 414 N CA 0.166 53.383 53.050 0.280 0.000 1.154 414 N CB -0.792 37.856 38.487 0.267 0.000 1.444 414 N HN 0.473 nan 8.380 nan 0.000 0.529 415 I N 0.987 121.684 120.570 0.210 0.000 2.497 415 I HA 0.274 4.461 4.170 0.027 0.000 0.284 415 I C -0.606 175.617 176.117 0.178 0.000 1.060 415 I CA -0.596 60.809 61.300 0.175 0.000 1.071 415 I CB 1.807 39.883 38.000 0.126 0.000 1.216 415 I HN 0.250 nan 8.210 nan 0.000 0.442 416 E N 4.360 124.659 120.200 0.166 0.000 2.287 416 E HA 0.355 4.721 4.350 0.027 0.000 0.274 416 E C -0.631 176.035 176.600 0.110 0.000 0.896 416 E CA -0.468 56.001 56.400 0.114 0.000 0.788 416 E CB 1.611 31.360 29.700 0.081 0.000 1.244 416 E HN 0.600 nan 8.360 nan 0.000 0.408 417 T N 0.735 115.347 114.554 0.096 0.000 3.374 417 T HA 0.171 4.538 4.350 0.027 0.000 0.267 417 T C 0.856 175.612 174.700 0.094 0.000 0.996 417 T CA -0.357 61.825 62.100 0.137 0.000 0.977 417 T CB -0.246 68.686 68.868 0.107 0.000 1.149 417 T HN 0.656 nan 8.240 nan 0.000 0.517 418 H N 1.156 120.143 119.070 -0.139 0.000 2.353 418 H HA -0.063 4.510 4.556 0.028 0.000 0.298 418 H C 2.304 177.519 175.328 -0.187 0.000 1.103 418 H CA 1.296 57.237 56.048 -0.177 0.000 1.293 418 H CB -0.134 29.490 29.762 -0.229 0.000 1.372 418 H HN 0.599 nan 8.280 nan 0.000 0.501 419 G N 0.145 108.806 108.800 -0.231 0.000 2.848 419 G HA2 -0.034 3.942 3.960 0.027 0.000 0.208 419 G HA3 -0.034 3.942 3.960 0.027 0.000 0.208 419 G C 0.483 175.499 174.900 0.195 0.000 1.152 419 G CA -0.165 44.846 45.100 -0.150 0.000 0.789 419 G HN 0.139 nan 8.290 nan 0.000 0.531 420 M N 0.408 120.168 119.600 0.267 0.000 2.226 420 M HA 0.295 4.791 4.480 0.027 0.000 0.324 420 M C -0.337 176.005 176.300 0.071 0.000 1.112 420 M CA -0.206 55.198 55.300 0.172 0.000 1.176 420 M CB 1.375 34.030 32.600 0.092 0.000 1.430 420 M HN -0.216 nan 8.290 nan 0.000 0.462 421 V N 4.023 123.956 119.914 0.031 0.000 2.443 421 V HA 0.376 4.512 4.120 0.027 0.000 0.293 421 V C -1.894 174.196 176.094 -0.006 0.000 1.021 421 V CA -1.304 61.000 62.300 0.006 0.000 0.848 421 V CB 1.815 33.636 31.823 -0.005 0.000 0.998 421 V HN 0.738 nan 8.190 nan 0.000 0.424 422 P HA 0.218 nan 4.420 nan 0.000 0.277 422 P C 0.965 178.272 177.300 0.012 0.000 1.276 422 P CA -0.484 62.616 63.100 0.000 0.000 0.788 422 P CB 1.034 32.735 31.700 0.000 0.000 1.114 423 M N 0.493 120.107 119.600 0.023 0.000 2.279 423 M HA -0.160 4.336 4.480 0.027 0.000 0.264 423 M C 1.110 177.437 176.300 0.045 0.000 1.062 423 M CA 1.727 57.051 55.300 0.041 0.000 1.099 423 M CB -0.479 32.138 32.600 0.028 0.000 1.394 423 M HN 0.358 nan 8.290 nan 0.000 0.426 424 N N -0.246 118.479 118.700 0.042 0.000 2.295 424 N HA -0.048 4.708 4.740 0.027 0.000 0.221 424 N C 1.060 176.557 175.510 -0.021 0.000 1.129 424 N CA 0.070 53.148 53.050 0.046 0.000 0.836 424 N CB -0.681 37.851 38.487 0.075 0.000 1.040 424 N HN 0.326 nan 8.380 nan 0.000 0.494 425 R N 0.390 120.863 120.500 -0.045 0.000 2.103 425 R HA -0.031 4.326 4.340 0.027 0.000 0.242 425 R C 1.398 177.600 176.300 -0.162 0.000 1.142 425 R CA 1.536 57.583 56.100 -0.088 0.000 0.960 425 R CB -0.052 30.193 30.300 -0.093 0.000 0.858 425 R HN 0.306 nan 8.270 nan 0.000 0.439 426 L N -0.939 120.126 121.223 -0.264 0.000 2.168 426 L HA 0.005 4.361 4.340 0.027 0.000 0.203 426 L C 2.429 179.152 176.870 -0.245 0.000 1.078 426 L CA 1.264 55.821 54.840 -0.472 0.000 0.780 426 L CB -0.515 40.987 42.059 -0.929 0.000 0.939 426 L HN 0.329 nan 8.230 nan 0.000 0.451 427 T N -4.356 110.097 114.554 -0.169 0.000 3.072 427 T HA -0.143 4.224 4.350 0.027 0.000 0.266 427 T C 1.225 175.847 174.700 -0.130 0.000 1.127 427 T CA 1.089 63.081 62.100 -0.181 0.000 1.107 427 T CB -0.217 68.505 68.868 -0.243 0.000 0.910 427 T HN 0.119 nan 8.240 nan 0.000 0.513 428 D N 0.995 121.351 120.400 -0.074 0.000 2.349 428 D HA 0.096 4.752 4.640 0.027 0.000 0.214 428 D C -0.219 176.066 176.300 -0.026 0.000 1.063 428 D CA -0.207 53.761 54.000 -0.054 0.000 0.847 428 D CB -0.047 40.727 40.800 -0.044 0.000 0.933 428 D HN 0.300 nan 8.370 nan 0.000 0.513 429 D N -0.030 120.368 120.400 -0.002 0.000 2.317 429 D HA 0.116 4.772 4.640 0.027 0.000 0.234 429 D C -1.665 174.690 176.300 0.093 0.000 1.112 429 D CA -2.198 51.839 54.000 0.061 0.000 0.840 429 D CB 1.970 42.846 40.800 0.127 0.000 1.078 429 D HN -0.012 nan 8.370 nan 0.000 0.486 430 P HA -0.085 nan 4.420 nan 0.000 0.225 430 P C 0.951 178.264 177.300 0.022 0.000 1.148 430 P CA 0.615 63.730 63.100 0.026 0.000 0.779 430 P CB 0.335 32.037 31.700 0.003 0.000 0.780 431 R N -1.714 118.809 120.500 0.038 0.000 2.235 431 R HA -0.051 4.305 4.340 0.027 0.000 0.213 431 R C 1.392 177.592 176.300 -0.167 0.000 1.059 431 R CA 0.999 57.052 56.100 -0.080 0.000 0.997 431 R CB -0.458 29.767 30.300 -0.126 0.000 0.884 431 R HN 0.327 nan 8.270 nan 0.000 0.462 432 W N -0.079 121.168 121.300 -0.088 0.000 3.278 432 W HA 0.132 4.807 4.660 0.026 0.000 0.308 432 W C 1.502 177.965 176.519 -0.093 0.000 1.253 432 W CA -0.515 56.777 57.345 -0.087 0.000 1.759 432 W CB 0.038 29.445 29.460 -0.088 0.000 1.093 432 W HN 0.010 nan 8.180 nan 0.000 0.648 433 L N 2.101 123.366 121.223 0.071 0.000 2.079 433 L HA -0.043 4.313 4.340 0.027 0.000 0.210 433 L C -0.761 176.082 176.870 -0.046 0.000 1.081 433 L CA 2.193 57.031 54.840 -0.005 0.000 0.752 433 L CB -1.568 40.475 42.059 -0.027 0.000 0.896 433 L HN -0.243 nan 8.230 nan 0.000 0.433 434 P HA -0.145 nan 4.420 nan 0.000 0.215 434 P C 1.608 178.861 177.300 -0.079 0.000 1.157 434 P CA 2.187 65.231 63.100 -0.092 0.000 0.868 434 P CB -0.203 31.430 31.700 -0.111 0.000 0.788 435 A N -1.221 121.569 122.820 -0.050 0.000 1.930 435 A HA -0.162 4.174 4.320 0.027 0.000 0.217 435 A C 2.211 179.812 177.584 0.028 0.000 1.175 435 A CA 1.708 53.746 52.037 0.002 0.000 0.627 435 A CB -1.398 17.640 19.000 0.063 0.000 0.815 435 A HN 0.101 nan 8.150 nan 0.000 0.443 436 M N 0.275 119.898 119.600 0.039 0.000 2.175 436 M HA -0.138 4.358 4.480 0.027 0.000 0.264 436 M C 2.536 178.786 176.300 -0.084 0.000 1.063 436 M CA 1.667 56.966 55.300 -0.002 0.000 1.119 436 M CB -0.349 32.229 32.600 -0.036 0.000 1.377 436 M HN 0.662 nan 8.290 nan 0.000 0.415 437 S N 0.393 116.016 115.700 -0.128 0.000 2.370 437 S HA -0.186 4.300 4.470 0.027 0.000 0.226 437 S C 1.586 176.022 174.600 -0.274 0.000 1.033 437 S CA 1.480 59.536 58.200 -0.240 0.000 1.011 437 S CB -0.615 62.414 63.200 -0.285 0.000 0.852 437 S HN 0.527 nan 8.310 nan 0.000 0.457 438 E N 0.992 121.082 120.200 -0.182 0.000 2.204 438 E HA -0.069 4.297 4.350 0.027 0.000 0.195 438 E C 2.410 178.929 176.600 -0.135 0.000 0.990 438 E CA 0.831 57.130 56.400 -0.168 0.000 0.821 438 E CB -0.121 29.515 29.700 -0.106 0.000 0.750 438 E HN 0.576 nan 8.360 nan 0.000 0.477 439 R N 0.025 120.474 120.500 -0.085 0.000 2.115 439 R HA -0.060 4.297 4.340 0.027 0.000 0.226 439 R C 2.233 178.496 176.300 -0.062 0.000 1.100 439 R CA 0.710 56.790 56.100 -0.033 0.000 0.980 439 R CB 0.076 30.395 30.300 0.031 0.000 0.875 439 R HN 0.025 nan 8.270 nan 0.000 0.445 440 V N 0.184 120.018 119.914 -0.134 0.000 2.426 440 V HA -0.167 3.969 4.120 0.027 0.000 0.242 440 V C 2.466 178.387 176.094 -0.289 0.000 1.036 440 V CA 2.094 64.295 62.300 -0.165 0.000 1.044 440 V CB -0.259 31.464 31.823 -0.167 0.000 0.688 440 V HN 0.504 nan 8.190 nan 0.000 0.462 441 T N -0.703 113.554 114.554 -0.495 0.000 2.788 441 T HA -0.229 4.137 4.350 0.027 0.000 0.268 441 T C 1.927 176.469 174.700 -0.264 0.000 1.044 441 T CA 1.364 63.089 62.100 -0.626 0.000 1.139 441 T CB -0.390 67.929 68.868 -0.916 0.000 0.867 441 T HN 0.402 nan 8.240 nan 0.000 0.454 442 R N 0.185 120.557 120.500 -0.213 0.000 2.148 442 R HA 0.235 4.591 4.340 0.027 0.000 0.223 442 R C 2.609 178.827 176.300 -0.136 0.000 1.088 442 R CA 1.259 57.268 56.100 -0.153 0.000 0.985 442 R CB -0.430 29.789 30.300 -0.135 0.000 0.880 442 R HN 0.474 nan 8.270 nan 0.000 0.451 443 M N 0.480 120.004 119.600 -0.126 0.000 2.123 443 M HA -0.121 4.375 4.480 0.027 0.000 0.263 443 M C 1.825 178.031 176.300 -0.156 0.000 1.069 443 M CA 1.578 56.828 55.300 -0.083 0.000 1.133 443 M CB 0.152 32.740 32.600 -0.019 0.000 1.356 443 M HN -0.024 nan 8.290 nan 0.000 0.415 444 V N 1.059 120.778 119.914 -0.326 0.000 2.343 444 V HA -0.284 3.852 4.120 0.027 0.000 0.247 444 V C 2.253 178.221 176.094 -0.211 0.000 1.051 444 V CA 1.981 63.953 62.300 -0.546 0.000 1.036 444 V CB -0.927 30.535 31.823 -0.602 0.000 0.654 444 V HN 0.586 nan 8.190 nan 0.000 0.451 445 Q N -0.624 119.099 119.800 -0.129 0.000 2.226 445 Q HA -0.217 4.139 4.340 0.027 0.000 0.204 445 Q C 2.445 178.356 176.000 -0.149 0.000 0.975 445 Q CA 1.495 57.237 55.803 -0.101 0.000 0.866 445 Q CB -0.169 28.533 28.738 -0.059 0.000 0.915 445 Q HN 0.534 nan 8.270 nan 0.000 0.440 446 R N 0.217 120.619 120.500 -0.163 0.000 2.112 446 R HA -0.074 4.282 4.340 0.027 0.000 0.216 446 R C 0.510 176.723 176.300 -0.145 0.000 1.080 446 R CA 1.129 57.106 56.100 -0.205 0.000 0.996 446 R CB 0.478 30.656 30.300 -0.204 0.000 0.902 446 R HN 0.132 nan 8.270 nan 0.000 0.449 447 D N -0.111 120.268 120.400 -0.034 0.000 2.398 447 D HA -0.008 4.649 4.640 0.027 0.000 0.210 447 D C 1.296 177.700 176.300 0.173 0.000 1.094 447 D CA 0.112 54.142 54.000 0.050 0.000 0.839 447 D CB 0.239 41.033 40.800 -0.010 0.000 0.963 447 D HN 0.340 nan 8.370 nan 0.000 0.506 448 R N 0.660 121.281 120.500 0.202 0.000 2.303 448 R HA -0.017 4.339 4.340 0.027 0.000 0.225 448 R C 0.611 176.909 176.300 -0.003 0.000 1.114 448 R CA 0.910 57.140 56.100 0.217 0.000 1.007 448 R CB -0.273 30.076 30.300 0.082 0.000 0.861 448 R HN -0.078 nan 8.270 nan 0.000 0.471 449 N N 0.211 118.836 118.700 -0.126 0.000 2.236 449 N HA 0.023 4.780 4.740 0.027 0.000 0.196 449 N C -0.637 174.746 175.510 -0.211 0.000 1.114 449 N CA 0.121 53.072 53.050 -0.166 0.000 0.859 449 N CB 0.203 38.568 38.487 -0.203 0.000 0.982 449 N HN 0.274 nan 8.380 nan 0.000 0.493 450 H N 1.236 120.246 119.070 -0.101 0.000 2.668 450 H HA 0.127 4.699 4.556 0.026 0.000 0.303 450 H C -1.238 173.939 175.328 -0.251 0.000 1.074 450 H CA -1.272 54.697 56.048 -0.131 0.000 1.406 450 H CB 1.562 31.284 29.762 -0.067 0.000 1.442 450 H HN 0.045 nan 8.280 nan 0.000 0.482 451 P HA -0.143 nan 4.420 nan 0.000 0.220 451 P C 1.439 178.271 177.300 -0.779 0.000 1.148 451 P CA 1.000 63.739 63.100 -0.602 0.000 0.803 451 P CB 0.297 31.373 31.700 -1.039 0.000 0.782 452 S N -0.585 114.774 115.700 -0.568 0.000 2.399 452 S HA -0.060 4.426 4.470 0.027 0.000 0.231 452 S C 1.160 175.738 174.600 -0.036 0.000 1.022 452 S CA 0.499 58.547 58.200 -0.253 0.000 0.983 452 S CB -1.612 61.578 63.200 -0.017 0.000 0.803 452 S HN -0.054 nan 8.310 nan 0.000 0.480 453 V N 3.893 123.757 119.914 -0.083 0.000 2.446 453 V HA 0.179 4.315 4.120 0.027 0.000 0.276 453 V C 1.207 177.165 176.094 -0.225 0.000 1.030 453 V CA 0.132 62.345 62.300 -0.146 0.000 1.033 453 V CB 0.203 31.840 31.823 -0.310 0.000 0.993 453 V HN 0.630 nan 8.190 nan 0.000 0.477 454 I N 2.854 123.350 120.570 -0.123 0.000 3.939 454 I HA 0.480 4.666 4.170 0.027 0.000 0.313 454 I C 0.443 176.441 176.117 -0.199 0.000 1.274 454 I CA 0.601 61.831 61.300 -0.117 0.000 1.301 454 I CB 0.442 38.451 38.000 0.016 0.000 1.105 454 I HN 0.324 nan 8.210 nan 0.000 0.427 455 I N -0.208 120.224 120.570 -0.231 0.000 2.802 455 I HA 0.365 4.551 4.170 0.027 0.000 0.298 455 I C -1.558 174.443 176.117 -0.194 0.000 1.176 455 I CA -0.493 60.705 61.300 -0.169 0.000 1.025 455 I CB 2.125 40.124 38.000 -0.002 0.000 1.243 455 I HN 0.007 nan 8.210 nan 0.000 0.424 456 W N 3.111 124.459 121.300 0.081 0.000 2.512 456 W HA 0.643 5.317 4.660 0.023 0.000 0.335 456 W C 0.348 176.932 176.519 0.110 0.000 1.088 456 W CA -0.649 56.751 57.345 0.091 0.000 1.236 456 W CB 1.648 31.158 29.460 0.084 0.000 1.307 456 W HN 0.304 nan 8.180 nan 0.000 0.567 457 S N 2.344 118.275 115.700 0.385 0.000 2.500 457 S HA 0.403 4.889 4.470 0.027 0.000 0.301 457 S C 0.165 174.937 174.600 0.287 0.000 1.092 457 S CA -0.711 57.665 58.200 0.293 0.000 1.030 457 S CB 0.807 64.133 63.200 0.211 0.000 1.031 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.145 125.534 121.223 0.277 0.000 2.650 458 L HA 0.337 4.693 4.340 0.027 0.000 0.235 458 L C 1.392 178.328 176.870 0.109 0.000 1.149 458 L CA 0.504 55.425 54.840 0.135 0.000 0.887 458 L CB -1.207 40.826 42.059 -0.043 0.000 1.021 458 L HN 1.006 nan 8.230 nan 0.000 0.441 459 G N -0.046 108.907 108.800 0.255 0.000 2.265 459 G HA2 -0.135 3.841 3.960 0.027 0.000 0.246 459 G HA3 -0.135 3.841 3.960 0.027 0.000 0.246 459 G C -1.595 173.520 174.900 0.357 0.000 1.299 459 G CA -0.573 44.686 45.100 0.266 0.000 1.117 459 G HN 0.180 nan 8.290 nan 0.000 0.485 460 N N 0.058 118.913 118.700 0.258 0.000 2.405 460 N HA 0.477 5.233 4.740 0.027 0.000 0.274 460 N C -0.574 174.913 175.510 -0.038 0.000 1.170 460 N CA 0.074 53.139 53.050 0.026 0.000 0.848 460 N CB 1.681 39.911 38.487 -0.428 0.000 1.629 460 N HN 0.891 nan 8.380 nan 0.000 0.481 461 E N 0.590 120.673 120.200 -0.195 0.000 2.202 461 E HA -0.180 4.186 4.350 0.027 0.000 0.169 461 E C -0.833 175.697 176.600 -0.115 0.000 1.536 461 E CA 0.797 56.995 56.400 -0.337 0.000 0.664 461 E CB -1.178 28.056 29.700 -0.777 0.000 1.064 461 E HN 0.431 nan 8.360 nan 0.000 0.327 462 S N 0.094 115.861 115.700 0.111 0.000 3.021 462 S HA 0.393 4.879 4.470 0.027 0.000 0.252 462 S C 0.612 175.378 174.600 0.275 0.000 0.996 462 S CA -0.201 58.121 58.200 0.203 0.000 1.084 462 S CB 1.392 64.765 63.200 0.287 0.000 1.021 462 S HN 0.868 nan 8.310 nan 0.000 0.566 463 G N 2.060 110.955 108.800 0.158 0.000 2.601 463 G HA2 -0.268 3.708 3.960 0.027 0.000 0.261 463 G HA3 -0.268 3.708 3.960 0.027 0.000 0.261 463 G C -0.492 174.590 174.900 0.304 0.000 1.289 463 G CA 0.019 45.214 45.100 0.158 0.000 0.920 463 G HN 0.669 nan 8.290 nan 0.000 0.571 464 H N 0.357 119.534 119.070 0.179 0.000 2.823 464 H HA 0.574 5.147 4.556 0.027 0.000 0.332 464 H C 0.283 175.773 175.328 0.269 0.000 0.980 464 H CA -0.123 56.067 56.048 0.238 0.000 1.286 464 H CB 0.753 30.597 29.762 0.136 0.000 1.541 464 H HN 1.067 nan 8.280 nan 0.000 0.521 465 G N 1.484 110.446 108.800 0.270 0.000 2.600 465 G HA2 0.455 4.431 3.960 0.027 0.000 0.303 465 G HA3 0.455 4.431 3.960 0.027 0.000 0.303 465 G C 0.540 175.367 174.900 -0.122 0.000 1.253 465 G CA -0.172 44.901 45.100 -0.045 0.000 0.974 465 G HN 0.676 nan 8.290 nan 0.000 0.483 466 A N 0.306 123.053 122.820 -0.121 0.000 2.019 466 A HA -0.079 4.257 4.320 0.027 0.000 0.219 466 A C 2.118 179.685 177.584 -0.027 0.000 1.164 466 A CA 1.792 53.791 52.037 -0.064 0.000 0.644 466 A CB -0.423 18.553 19.000 -0.040 0.000 0.805 466 A HN 0.534 nan 8.150 nan 0.000 0.449 467 N N -0.139 118.507 118.700 -0.091 0.000 2.205 467 N HA -0.160 4.596 4.740 0.027 0.000 0.186 467 N C 1.373 176.820 175.510 -0.104 0.000 1.015 467 N CA 1.751 54.730 53.050 -0.119 0.000 0.862 467 N CB -0.676 37.700 38.487 -0.185 0.000 0.986 467 N HN 0.786 nan 8.380 nan 0.000 0.429 468 H N 0.420 119.487 119.070 -0.004 0.000 2.321 468 H HA -0.041 4.531 4.556 0.026 0.000 0.300 468 H C 1.346 176.749 175.328 0.125 0.000 1.087 468 H CA 1.419 57.473 56.048 0.011 0.000 1.319 468 H CB 0.088 29.875 29.762 0.043 0.000 1.379 468 H HN 0.173 nan 8.280 nan 0.000 0.501 469 D N 0.296 120.864 120.400 0.281 0.000 2.123 469 D HA -0.147 4.509 4.640 0.027 0.000 0.196 469 D C 2.295 178.751 176.300 0.260 0.000 0.992 469 D CA 1.195 55.350 54.000 0.259 0.000 0.833 469 D CB -0.418 40.503 40.800 0.201 0.000 0.954 469 D HN 0.435 nan 8.370 nan 0.000 0.455 470 A N 0.751 123.674 122.820 0.172 0.000 1.877 470 A HA -0.130 4.206 4.320 0.027 0.000 0.216 470 A C 2.422 180.120 177.584 0.190 0.000 1.186 470 A CA 1.011 53.138 52.037 0.151 0.000 0.620 470 A CB -0.790 18.256 19.000 0.077 0.000 0.822 470 A HN 0.213 nan 8.150 nan 0.000 0.443 471 L N -2.120 119.199 121.223 0.159 0.000 2.156 471 L HA -0.134 4.223 4.340 0.027 0.000 0.208 471 L C 2.540 179.562 176.870 0.253 0.000 1.095 471 L CA 1.400 56.335 54.840 0.158 0.000 0.770 471 L CB -0.636 41.443 42.059 0.034 0.000 0.914 471 L HN 0.613 nan 8.230 nan 0.000 0.439 472 Y N 1.196 121.583 120.300 0.146 0.000 2.128 472 Y HA -0.320 4.242 4.550 0.021 0.000 0.284 472 Y C 2.815 178.802 175.900 0.144 0.000 1.154 472 Y CA 1.725 59.914 58.100 0.148 0.000 1.149 472 Y CB -0.110 38.437 38.460 0.146 0.000 0.976 472 Y HN -0.028 nan 8.280 nan 0.000 0.505 473 R N -0.057 120.574 120.500 0.219 0.000 2.092 473 R HA -0.196 4.161 4.340 0.027 0.000 0.231 473 R C 2.016 178.321 176.300 0.008 0.000 1.119 473 R CA 1.901 58.043 56.100 0.069 0.000 0.970 473 R CB -1.547 28.868 30.300 0.192 0.000 0.864 473 R HN 0.644 nan 8.270 nan 0.000 0.440 474 W N 0.639 121.903 121.300 -0.060 0.000 2.333 474 W HA -0.171 4.505 4.660 0.027 0.000 0.316 474 W C 1.696 178.129 176.519 -0.144 0.000 1.215 474 W CA 2.204 59.499 57.345 -0.084 0.000 1.278 474 W CB -0.345 29.069 29.460 -0.077 0.000 1.154 474 W HN 0.087 nan 8.180 nan 0.000 0.486 475 I N 0.842 121.431 120.570 0.032 0.000 2.127 475 I HA -0.375 3.811 4.170 0.027 0.000 0.241 475 I C 2.482 178.391 176.117 -0.346 0.000 1.075 475 I CA 1.542 62.690 61.300 -0.254 0.000 1.334 475 I CB -0.824 37.090 38.000 -0.142 0.000 1.040 475 I HN -0.100 nan 8.210 nan 0.000 0.405 476 K N 0.359 120.569 120.400 -0.318 0.000 2.160 476 K HA -0.201 4.135 4.320 0.027 0.000 0.206 476 K C 2.254 178.710 176.600 -0.241 0.000 1.047 476 K CA 1.602 57.722 56.287 -0.278 0.000 0.930 476 K CB -0.542 31.754 32.500 -0.341 0.000 0.720 476 K HN 0.292 nan 8.250 nan 0.000 0.450 477 S N 0.856 116.373 115.700 -0.305 0.000 2.362 477 S HA -0.082 4.404 4.470 0.027 0.000 0.221 477 S C 2.039 176.412 174.600 -0.378 0.000 1.032 477 S CA 1.151 59.171 58.200 -0.300 0.000 0.973 477 S CB -0.128 62.905 63.200 -0.279 0.000 0.849 477 S HN 0.180 nan 8.310 nan 0.000 0.465 478 V N -0.722 118.810 119.914 -0.635 0.000 2.871 478 V HA 0.231 4.367 4.120 0.027 0.000 0.256 478 V C 0.273 176.133 176.094 -0.389 0.000 1.082 478 V CA 1.459 63.398 62.300 -0.602 0.000 1.105 478 V CB -0.442 30.790 31.823 -0.984 0.000 0.713 478 V HN 0.452 nan 8.190 nan 0.000 0.473 479 D N 0.187 120.410 120.400 -0.295 0.000 2.381 479 D HA 0.385 5.041 4.640 0.027 0.000 0.245 479 D C -2.389 173.892 176.300 -0.031 0.000 1.297 479 D CA -1.690 52.243 54.000 -0.112 0.000 0.931 479 D CB 1.717 42.533 40.800 0.026 0.000 1.334 479 D HN 0.152 nan 8.370 nan 0.000 0.535 480 P HA -0.018 nan 4.420 nan 0.000 0.237 480 P C 1.189 178.502 177.300 0.022 0.000 1.178 480 P CA 0.439 63.528 63.100 -0.018 0.000 0.766 480 P CB 0.168 31.854 31.700 -0.023 0.000 0.876 481 S N -1.302 114.419 115.700 0.035 0.000 2.515 481 S HA 0.033 4.519 4.470 0.027 0.000 0.231 481 S C 0.853 175.473 174.600 0.033 0.000 0.987 481 S CA 0.069 58.293 58.200 0.041 0.000 0.936 481 S CB -0.399 62.819 63.200 0.030 0.000 0.766 481 S HN 0.068 nan 8.310 nan 0.000 0.528 482 R N 0.890 121.421 120.500 0.052 0.000 2.673 482 R HA 0.548 4.904 4.340 0.027 0.000 0.281 482 R C -3.227 173.113 176.300 0.066 0.000 0.991 482 R CA -2.266 53.830 56.100 -0.007 0.000 0.896 482 R CB 1.457 31.633 30.300 -0.206 0.000 1.201 482 R HN 0.120 nan 8.270 nan 0.000 0.457 483 P HA 0.075 nan 4.420 nan 0.000 0.270 483 P C -0.806 176.594 177.300 0.166 0.000 1.223 483 P CA -0.339 62.820 63.100 0.098 0.000 0.785 483 P CB 0.644 32.389 31.700 0.074 0.000 0.923 484 V N 2.491 122.534 119.914 0.215 0.000 2.495 484 V HA 0.403 4.539 4.120 0.027 0.000 0.298 484 V C 0.231 176.515 176.094 0.316 0.000 1.031 484 V CA -0.277 62.202 62.300 0.298 0.000 0.871 484 V CB 1.200 33.163 31.823 0.232 0.000 0.988 484 V HN 0.621 nan 8.190 nan 0.000 0.432 485 Q N 3.909 123.875 119.800 0.277 0.000 2.458 485 Q HA 0.810 5.166 4.340 0.027 0.000 0.282 485 Q C -1.872 174.291 176.000 0.273 0.000 1.106 485 Q CA -0.926 55.005 55.803 0.213 0.000 0.814 485 Q CB 2.998 31.807 28.738 0.119 0.000 1.425 485 Q HN 0.616 nan 8.270 nan 0.000 0.437 486 Y N 0.124 120.437 120.300 0.022 0.000 2.409 486 Y HA 0.157 4.721 4.550 0.024 0.000 0.321 486 Y C -0.694 175.151 175.900 -0.092 0.000 1.209 486 Y CA -0.818 57.264 58.100 -0.029 0.000 1.086 486 Y CB 2.062 40.495 38.460 -0.046 0.000 1.320 486 Y HN 0.955 nan 8.280 nan 0.000 0.440 487 E N 3.258 122.941 120.200 -0.862 0.000 2.400 487 E HA 0.160 4.526 4.350 0.027 0.000 0.195 487 E C 0.614 176.779 176.600 -0.724 0.000 1.012 487 E CA 0.680 56.704 56.400 -0.626 0.000 0.875 487 E CB 0.311 29.791 29.700 -0.368 0.000 0.859 487 E HN 0.881 nan 8.360 nan 0.000 0.498 488 G N -0.138 107.869 108.800 -1.322 0.000 2.559 488 G HA2 0.252 4.228 3.960 0.027 0.000 0.235 488 G HA3 0.252 4.228 3.960 0.027 0.000 0.235 488 G C 0.801 175.553 174.900 -0.247 0.000 1.266 488 G CA 0.267 44.979 45.100 -0.648 0.000 0.847 488 G HN 0.332 nan 8.290 nan 0.000 0.583 489 G N -0.843 107.925 108.800 -0.054 0.000 2.160 489 G HA2 0.225 4.201 3.960 0.027 0.000 0.251 489 G HA3 0.225 4.201 3.960 0.027 0.000 0.251 489 G C 1.270 176.185 174.900 0.024 0.000 1.008 489 G CA 1.054 46.186 45.100 0.054 0.000 0.724 489 G HN 2.607 nan 8.290 nan 0.000 0.514 490 G N -1.651 107.151 108.800 0.004 0.000 2.205 490 G HA2 0.427 4.403 3.960 0.027 0.000 0.180 490 G HA3 0.427 4.403 3.960 0.027 0.000 0.180 490 G C 1.039 176.049 174.900 0.184 0.000 1.004 490 G CA 1.298 46.462 45.100 0.108 0.000 0.670 490 G HN 2.336 nan 8.290 nan 0.000 0.496 491 A N -0.168 122.646 122.820 -0.009 0.000 3.721 491 A HA -0.156 4.180 4.320 0.027 0.000 0.270 491 A C 1.135 178.648 177.584 -0.117 0.000 1.036 491 A CA 2.653 54.628 52.037 -0.102 0.000 1.102 491 A CB -1.761 17.145 19.000 -0.157 0.000 1.100 491 A HN 2.110 nan 8.150 nan 0.000 0.887 492 D N -0.707 119.711 120.400 0.029 0.000 2.760 492 D HA 0.313 4.969 4.640 0.027 0.000 0.314 492 D C 0.405 176.702 176.300 -0.004 0.000 1.464 492 D CA 0.872 54.891 54.000 0.033 0.000 0.797 492 D CB -1.118 39.837 40.800 0.259 0.000 1.149 492 D HN 0.826 nan 8.370 nan 0.000 0.455 493 T N -2.370 112.112 114.554 -0.119 0.000 2.689 493 T HA 0.194 4.560 4.350 0.027 0.000 0.308 493 T C 1.575 176.141 174.700 -0.223 0.000 1.021 493 T CA 0.497 62.462 62.100 -0.226 0.000 0.973 493 T CB 0.647 69.143 68.868 -0.619 0.000 1.113 493 T HN 0.064 nan 8.240 nan 0.000 0.522 494 T N -2.470 111.946 114.554 -0.230 0.000 3.163 494 T HA 0.264 4.630 4.350 0.027 0.000 0.260 494 T C 1.433 175.883 174.700 -0.418 0.000 1.156 494 T CA 0.221 62.199 62.100 -0.203 0.000 1.072 494 T CB -0.466 68.369 68.868 -0.055 0.000 0.937 494 T HN 0.826 nan 8.240 nan 0.000 0.528 495 A N 0.492 123.062 122.820 -0.417 0.000 2.500 495 A HA 0.522 4.858 4.320 0.027 0.000 0.267 495 A C 0.765 178.153 177.584 -0.326 0.000 1.290 495 A CA -0.375 51.374 52.037 -0.480 0.000 0.928 495 A CB 0.135 19.113 19.000 -0.037 0.000 1.066 495 A HN 0.400 nan 8.150 nan 0.000 0.516 496 T N -1.184 113.202 114.554 -0.280 0.000 2.921 496 T HA 0.357 4.723 4.350 0.027 0.000 0.297 496 T C -0.590 174.127 174.700 0.028 0.000 1.013 496 T CA -0.431 61.657 62.100 -0.020 0.000 0.990 496 T CB 1.148 70.003 68.868 -0.023 0.000 1.023 496 T HN 0.103 nan 8.240 nan 0.000 0.447 497 D N 3.148 123.648 120.400 0.166 0.000 2.348 497 D HA 0.249 4.905 4.640 0.027 0.000 0.211 497 D C 0.327 176.659 176.300 0.052 0.000 0.998 497 D CA 0.667 54.749 54.000 0.138 0.000 0.873 497 D CB 0.434 41.339 40.800 0.176 0.000 0.925 497 D HN 0.544 nan 8.370 nan 0.000 0.524 498 I N 1.142 121.724 120.570 0.020 0.000 2.466 498 I HA 0.245 4.431 4.170 0.027 0.000 0.289 498 I C -0.153 175.897 176.117 -0.111 0.000 1.026 498 I CA -0.832 60.445 61.300 -0.038 0.000 1.078 498 I CB 2.698 40.688 38.000 -0.018 0.000 1.249 498 I HN -0.348 nan 8.210 nan 0.000 0.429 499 I N 6.128 126.586 120.570 -0.187 0.000 2.494 499 I HA 0.021 4.207 4.170 0.027 0.000 0.289 499 I C 0.340 176.244 176.117 -0.356 0.000 1.106 499 I CA 0.045 61.135 61.300 -0.351 0.000 1.369 499 I CB 0.047 37.724 38.000 -0.538 0.000 1.410 499 I HN 0.689 nan 8.210 nan 0.000 0.523 500 C N 5.743 124.855 119.300 -0.313 0.000 3.163 500 C HA 0.463 4.940 4.460 0.027 0.000 0.228 500 C C -2.001 172.855 174.990 -0.224 0.000 1.593 500 C CA -2.342 56.545 59.018 -0.218 0.000 1.489 500 C CB -1.097 26.572 27.740 -0.119 0.000 2.294 500 C HN 0.420 nan 8.230 nan 0.000 0.508 501 P HA 0.247 nan 4.420 nan 0.000 0.271 501 P C -0.422 176.828 177.300 -0.084 0.000 1.233 501 P CA 0.499 63.496 63.100 -0.172 0.000 0.789 501 P CB 0.689 32.302 31.700 -0.146 0.000 0.951 502 M N -0.005 119.579 119.600 -0.027 0.000 2.243 502 M HA 0.449 4.945 4.480 0.027 0.000 0.324 502 M C -0.709 175.579 176.300 -0.020 0.000 1.031 502 M CA -0.686 54.502 55.300 -0.187 0.000 0.949 502 M CB 1.287 33.787 32.600 -0.167 0.000 1.615 502 M HN 0.345 nan 8.290 nan 0.000 0.430 503 Y N -0.377 120.095 120.300 0.288 0.000 4.668 503 Y HA -0.229 4.338 4.550 0.028 0.000 0.234 503 Y C 0.584 176.659 175.900 0.292 0.000 1.056 503 Y CA 0.403 58.674 58.100 0.285 0.000 2.025 503 Y CB -2.219 36.386 38.460 0.242 0.000 1.613 503 Y HN 0.985 nan 8.280 nan 0.000 0.653 504 A N 1.310 124.346 122.820 0.361 0.000 2.477 504 A HA 0.531 4.868 4.320 0.027 0.000 0.246 504 A C 0.741 178.556 177.584 0.385 0.000 1.078 504 A CA -0.334 51.921 52.037 0.363 0.000 0.770 504 A CB 0.360 19.618 19.000 0.431 0.000 1.011 504 A HN 0.421 nan 8.150 nan 0.000 0.494 505 R N 1.429 122.083 120.500 0.256 0.000 2.546 505 R HA 0.354 4.710 4.340 0.027 0.000 0.266 505 R C 1.065 177.350 176.300 -0.025 0.000 1.086 505 R CA -0.731 55.459 56.100 0.150 0.000 1.160 505 R CB 0.515 30.863 30.300 0.081 0.000 1.138 505 R HN 0.473 nan 8.270 nan 0.000 0.567 506 V N 0.554 120.294 119.914 -0.289 0.000 2.244 506 V HA -0.211 3.925 4.120 0.027 0.000 0.244 506 V C 0.966 176.944 176.094 -0.193 0.000 1.042 506 V CA 1.875 63.953 62.300 -0.371 0.000 1.006 506 V CB -0.279 31.197 31.823 -0.578 0.000 0.641 506 V HN 0.743 nan 8.190 nan 0.000 0.446 507 D N -1.531 118.791 120.400 -0.130 0.000 2.473 507 D HA 0.109 4.765 4.640 0.027 0.000 0.230 507 D C 0.905 177.187 176.300 -0.029 0.000 1.097 507 D CA 0.052 54.009 54.000 -0.072 0.000 0.861 507 D CB 0.644 41.408 40.800 -0.060 0.000 1.114 507 D HN 0.473 nan 8.370 nan 0.000 0.500 508 E N 1.896 122.083 120.200 -0.022 0.000 2.194 508 E HA 0.091 4.457 4.350 0.027 0.000 0.284 508 E C -0.723 175.871 176.600 -0.009 0.000 1.035 508 E CA -0.530 55.864 56.400 -0.010 0.000 0.836 508 E CB 0.845 30.542 29.700 -0.004 0.000 1.070 508 E HN -0.134 nan 8.360 nan 0.000 0.401 509 D N 3.470 123.862 120.400 -0.013 0.000 2.329 509 D HA 0.143 4.799 4.640 0.027 0.000 0.246 509 D C -0.541 175.640 176.300 -0.199 0.000 1.111 509 D CA 0.107 54.084 54.000 -0.040 0.000 0.941 509 D CB 1.119 41.953 40.800 0.057 0.000 1.169 509 D HN 0.421 nan 8.370 nan 0.000 0.441 510 Q N 0.890 120.443 119.800 -0.411 0.000 2.891 510 Q HA 0.245 4.601 4.340 0.027 0.000 0.242 510 Q C -2.295 173.050 176.000 -1.091 0.000 0.959 510 Q CA -1.457 53.904 55.803 -0.737 0.000 0.707 510 Q CB 2.469 30.767 28.738 -0.732 0.000 1.283 510 Q HN 0.138 nan 8.270 nan 0.000 0.480 511 P HA 0.006 nan 4.420 nan 0.000 0.228 511 P C -0.633 176.375 177.300 -0.485 0.000 1.748 511 P CA -0.075 62.609 63.100 -0.694 0.000 0.909 511 P CB -0.584 30.905 31.700 -0.353 0.000 1.882 512 F N 1.409 121.190 119.950 -0.283 0.000 2.589 512 F HA 0.136 4.678 4.527 0.026 0.000 0.352 512 F C -1.244 174.452 175.800 -0.174 0.000 1.168 512 F CA -2.181 55.711 58.000 -0.181 0.000 1.353 512 F CB -0.715 38.200 39.000 -0.143 0.000 1.116 512 F HN 0.033 nan 8.300 nan 0.000 0.608 513 P HA 0.189 nan 4.420 nan 0.000 0.275 513 P C 0.209 177.529 177.300 0.034 0.000 1.227 513 P CA 0.830 63.951 63.100 0.035 0.000 0.781 513 P CB 1.343 33.062 31.700 0.031 0.000 0.906 514 A N 2.554 125.388 122.820 0.022 0.000 3.292 514 A HA -0.240 4.096 4.320 0.027 0.000 0.241 514 A C 0.713 178.315 177.584 0.030 0.000 0.569 514 A CA 2.146 54.202 52.037 0.032 0.000 1.149 514 A CB -2.658 16.360 19.000 0.030 0.000 1.321 514 A HN 0.678 nan 8.150 nan 0.000 0.679 515 V N -3.364 116.563 119.914 0.021 0.000 2.502 515 V HA 0.540 4.676 4.120 0.027 0.000 0.261 515 V C -2.414 173.674 176.094 -0.011 0.000 0.996 515 V CA -1.295 61.020 62.300 0.024 0.000 1.095 515 V CB 0.560 32.407 31.823 0.041 0.000 1.325 515 V HN 0.433 nan 8.190 nan 0.000 0.574 516 P HA 0.190 nan 4.420 nan 0.000 0.268 516 P C -0.530 176.341 177.300 -0.716 0.000 1.208 516 P CA 0.313 62.997 63.100 -0.692 0.000 0.777 516 P CB 0.866 31.622 31.700 -1.572 0.000 0.875 517 K N 2.124 122.124 120.400 -0.666 0.000 2.419 517 K HA 0.202 4.538 4.320 0.027 0.000 0.244 517 K C -0.418 175.866 176.600 -0.527 0.000 1.045 517 K CA -0.286 55.811 56.287 -0.317 0.000 1.004 517 K CB 0.348 32.913 32.500 0.110 0.000 1.376 517 K HN 0.455 nan 8.250 nan 0.000 0.460 518 W N 1.271 122.210 121.300 -0.602 0.000 2.093 518 W HA 0.056 4.733 4.660 0.028 0.000 0.352 518 W C 1.310 177.814 176.519 -0.025 0.000 1.294 518 W CA -0.466 56.632 57.345 -0.412 0.000 1.290 518 W CB 0.382 29.397 29.460 -0.742 0.000 1.149 518 W HN 0.362 nan 8.180 nan 0.000 0.606 519 S N 2.948 118.779 115.700 0.220 0.000 2.552 519 S HA -0.063 4.423 4.470 0.027 0.000 0.289 519 S C 1.167 175.905 174.600 0.229 0.000 1.304 519 S CA -0.188 58.101 58.200 0.148 0.000 1.063 519 S CB 0.117 63.353 63.200 0.061 0.000 0.848 519 S HN 0.528 nan 8.310 nan 0.000 0.499 520 I N 2.018 122.697 120.570 0.180 0.000 2.361 520 I HA -0.150 4.036 4.170 0.027 0.000 0.251 520 I C 2.034 178.168 176.117 0.029 0.000 1.133 520 I CA 1.293 62.703 61.300 0.183 0.000 1.413 520 I CB -0.406 37.653 38.000 0.099 0.000 1.073 520 I HN 0.592 nan 8.210 nan 0.000 0.424 521 K N 1.551 121.858 120.400 -0.156 0.000 2.057 521 K HA -0.161 4.176 4.320 0.027 0.000 0.206 521 K C 2.308 178.877 176.600 -0.052 0.000 1.050 521 K CA 1.776 57.867 56.287 -0.328 0.000 0.935 521 K CB -0.201 32.024 32.500 -0.459 0.000 0.715 521 K HN 0.374 nan 8.250 nan 0.000 0.439 522 K N -0.001 120.404 120.400 0.008 0.000 2.103 522 K HA -0.173 4.163 4.320 0.027 0.000 0.204 522 K C 1.884 178.508 176.600 0.039 0.000 1.052 522 K CA 0.887 57.175 56.287 0.003 0.000 0.945 522 K CB -0.090 32.385 32.500 -0.041 0.000 0.722 522 K HN 0.210 nan 8.250 nan 0.000 0.443 523 W N 2.147 123.430 121.300 -0.028 0.000 2.318 523 W HA -0.219 4.453 4.660 0.020 0.000 0.313 523 W C 1.630 178.124 176.519 -0.041 0.000 1.221 523 W CA 1.296 58.634 57.345 -0.012 0.000 1.266 523 W CB -0.731 28.790 29.460 0.102 0.000 1.150 523 W HN 0.096 nan 8.180 nan 0.000 0.496 524 L N 0.771 122.151 121.223 0.261 0.000 2.081 524 L HA -0.263 4.093 4.340 0.027 0.000 0.212 524 L C 2.216 179.151 176.870 0.108 0.000 1.080 524 L CA 2.025 56.950 54.840 0.141 0.000 0.754 524 L CB -1.078 41.046 42.059 0.108 0.000 0.893 524 L HN -0.006 nan 8.230 nan 0.000 0.433 525 S N -1.412 114.336 115.700 0.080 0.000 2.557 525 S HA 0.269 4.755 4.470 0.027 0.000 0.223 525 S C 0.608 175.196 174.600 -0.021 0.000 0.969 525 S CA -0.541 57.679 58.200 0.033 0.000 0.927 525 S CB -0.432 62.787 63.200 0.032 0.000 0.806 525 S HN 0.156 nan 8.310 nan 0.000 0.489 526 L N 1.818 123.015 121.223 -0.043 0.000 2.516 526 L HA 0.188 4.544 4.340 0.027 0.000 0.288 526 L C -2.252 174.579 176.870 -0.064 0.000 1.246 526 L CA -1.549 53.214 54.840 -0.129 0.000 0.844 526 L CB -0.519 41.421 42.059 -0.198 0.000 1.106 526 L HN 0.004 nan 8.230 nan 0.000 0.509 527 P HA -0.018 nan 4.420 nan 0.000 0.261 527 P C 0.760 178.049 177.300 -0.018 0.000 1.183 527 P CA 1.209 64.282 63.100 -0.046 0.000 0.761 527 P CB 0.610 32.278 31.700 -0.053 0.000 0.785 528 G N 1.954 110.751 108.800 -0.005 0.000 2.284 528 G HA2 -0.278 3.698 3.960 0.027 0.000 0.247 528 G HA3 -0.278 3.698 3.960 0.027 0.000 0.247 528 G C 0.355 175.269 174.900 0.023 0.000 1.012 528 G CA 0.117 45.222 45.100 0.009 0.000 0.618 528 G HN 0.613 nan 8.290 nan 0.000 0.521 529 E N 1.317 121.536 120.200 0.031 0.000 2.384 529 E HA 0.532 4.898 4.350 0.027 0.000 0.266 529 E C 1.368 177.991 176.600 0.038 0.000 1.012 529 E CA 1.050 57.480 56.400 0.051 0.000 0.901 529 E CB 0.681 30.438 29.700 0.095 0.000 0.967 529 E HN 0.647 nan 8.360 nan 0.000 0.435 530 T N 0.529 115.102 114.554 0.032 0.000 3.186 530 T HA 0.309 4.675 4.350 0.027 0.000 0.292 530 T C 0.496 175.203 174.700 0.013 0.000 0.915 530 T CA -0.510 61.604 62.100 0.023 0.000 0.902 530 T CB 0.057 68.938 68.868 0.021 0.000 1.192 530 T HN 0.257 nan 8.240 nan 0.000 0.563 531 R N 2.369 122.872 120.500 0.005 0.000 2.707 531 R HA 0.465 4.821 4.340 0.027 0.000 0.270 531 R C -2.503 173.774 176.300 -0.038 0.000 1.083 531 R CA -1.731 54.360 56.100 -0.014 0.000 1.182 531 R CB 0.086 30.371 30.300 -0.026 0.000 1.084 531 R HN 0.230 nan 8.270 nan 0.000 0.528 532 P HA 0.099 nan 4.420 nan 0.000 0.276 532 P C -1.089 176.141 177.300 -0.116 0.000 1.252 532 P CA -0.152 62.906 63.100 -0.071 0.000 0.802 532 P CB 0.704 32.363 31.700 -0.068 0.000 1.035 533 L N 2.154 123.290 121.223 -0.146 0.000 2.376 533 L HA 0.579 4.935 4.340 0.027 0.000 0.275 533 L C -1.092 175.639 176.870 -0.231 0.000 0.987 533 L CA -0.691 54.024 54.840 -0.209 0.000 0.828 533 L CB 0.745 42.674 42.059 -0.216 0.000 1.249 533 L HN 0.226 nan 8.230 nan 0.000 0.409 534 I N 5.735 126.173 120.570 -0.220 0.000 2.497 534 I HA 0.263 4.449 4.170 0.027 0.000 0.284 534 I C -0.773 175.257 176.117 -0.145 0.000 1.060 534 I CA -0.534 60.626 61.300 -0.234 0.000 1.071 534 I CB 1.928 39.847 38.000 -0.135 0.000 1.216 534 I HN 0.465 nan 8.210 nan 0.000 0.442 535 L N 5.501 126.607 121.223 -0.194 0.000 2.455 535 L HA 0.046 4.402 4.340 0.027 0.000 0.272 535 L C 1.500 178.455 176.870 0.141 0.000 1.174 535 L CA -0.134 54.664 54.840 -0.071 0.000 0.869 535 L CB 0.661 42.657 42.059 -0.105 0.000 1.130 535 L HN 0.863 nan 8.230 nan 0.000 0.474 536 C N 0.096 119.454 119.300 0.097 0.000 2.448 536 C HA 0.137 4.613 4.460 0.027 0.000 0.280 536 C C 0.628 175.762 174.990 0.240 0.000 1.398 536 C CA -0.188 58.933 59.018 0.171 0.000 1.774 536 C CB -1.072 26.682 27.740 0.023 0.000 1.888 536 C HN 0.821 nan 8.230 nan 0.000 0.519 537 E N -0.807 119.459 120.200 0.110 0.000 2.321 537 E HA 0.622 4.988 4.350 0.027 0.000 0.278 537 E C -1.383 175.148 176.600 -0.114 0.000 0.902 537 E CA -0.410 56.029 56.400 0.066 0.000 0.758 537 E CB 2.075 31.660 29.700 -0.192 0.000 1.213 537 E HN 0.666 nan 8.360 nan 0.000 0.426 538 Y N -1.170 119.106 120.300 -0.040 0.000 2.713 538 Y HA 0.603 5.170 4.550 0.029 0.000 0.335 538 Y C -0.771 175.296 175.900 0.279 0.000 1.222 538 Y CA -0.848 57.248 58.100 -0.008 0.000 1.061 538 Y CB 0.787 39.091 38.460 -0.259 0.000 1.314 538 Y HN 0.662 nan 8.280 nan 0.000 0.453 539 A N 1.986 124.893 122.820 0.145 0.000 2.251 539 A HA -0.271 4.066 4.320 0.027 0.000 0.283 539 A C -0.324 177.372 177.584 0.186 0.000 1.415 539 A CA 1.124 53.237 52.037 0.127 0.000 0.742 539 A CB -2.425 16.577 19.000 0.003 0.000 1.151 539 A HN 1.104 nan 8.150 nan 0.000 0.354 540 H N 0.677 119.889 119.070 0.237 0.000 3.138 540 H HA 0.266 4.838 4.556 0.027 0.000 0.275 540 H C 1.023 176.401 175.328 0.084 0.000 0.997 540 H CA 0.849 57.038 56.048 0.235 0.000 1.460 540 H CB 0.448 30.224 29.762 0.024 0.000 1.524 540 H HN 0.798 nan 8.280 nan 0.000 0.532 541 A N 6.917 129.613 122.820 -0.207 0.000 3.105 541 A HA 0.101 4.437 4.320 0.027 0.000 0.272 541 A C 0.733 178.173 177.584 -0.239 0.000 1.466 541 A CA -0.486 51.432 52.037 -0.199 0.000 1.101 541 A CB -0.502 18.370 19.000 -0.214 0.000 1.065 541 A HN 0.792 nan 8.150 nan 0.000 0.643 542 M N 1.525 120.971 119.600 -0.258 0.000 2.143 542 M HA 0.449 4.945 4.480 0.027 0.000 0.348 542 M C 0.995 177.179 176.300 -0.193 0.000 1.375 542 M CA 1.298 56.473 55.300 -0.207 0.000 1.124 542 M CB -0.006 32.525 32.600 -0.116 0.000 1.669 542 M HN 0.855 nan 8.290 nan 0.000 0.469 543 G N 4.373 113.035 108.800 -0.231 0.000 2.566 543 G HA2 -0.343 3.633 3.960 0.027 0.000 0.280 543 G HA3 -0.343 3.633 3.960 0.027 0.000 0.280 543 G C -0.184 174.247 174.900 -0.782 0.000 1.225 543 G CA 0.100 44.876 45.100 -0.540 0.000 0.966 543 G HN 0.846 nan 8.290 nan 0.000 0.560 544 N N 1.296 119.386 118.700 -1.016 0.000 2.466 544 N HA 0.488 5.244 4.740 0.027 0.000 0.263 544 N C 0.050 175.327 175.510 -0.387 0.000 1.178 544 N CA 1.098 53.714 53.050 -0.723 0.000 0.983 544 N CB 0.368 38.449 38.487 -0.676 0.000 1.331 544 N HN 0.828 nan 8.380 nan 0.000 0.500 545 S N 1.988 117.540 115.700 -0.247 0.000 2.998 545 S HA 0.605 5.091 4.470 0.027 0.000 0.321 545 S C -0.160 174.382 174.600 -0.097 0.000 1.171 545 S CA -0.348 57.758 58.200 -0.155 0.000 0.882 545 S CB 0.104 63.229 63.200 -0.126 0.000 1.301 545 S HN 0.331 nan 8.310 nan 0.000 0.629 546 L N 0.076 121.270 121.223 -0.047 0.000 4.639 546 L HA -0.043 4.313 4.340 0.027 0.000 0.402 546 L C 0.466 177.379 176.870 0.071 0.000 1.069 546 L CA 0.931 55.764 54.840 -0.011 0.000 1.105 546 L CB -1.745 40.219 42.059 -0.158 0.000 2.122 546 L HN 0.734 nan 8.230 nan 0.000 0.662 547 G N -0.843 107.972 108.800 0.025 0.000 2.378 547 G HA2 0.494 4.470 3.960 0.027 0.000 0.255 547 G HA3 0.494 4.470 3.960 0.027 0.000 0.255 547 G C 1.205 176.150 174.900 0.075 0.000 1.270 547 G CA 0.169 45.260 45.100 -0.014 0.000 0.876 547 G HN 1.395 nan 8.290 nan 0.000 0.521 548 G N 1.479 110.316 108.800 0.062 0.000 2.141 548 G HA2 -0.313 3.663 3.960 0.027 0.000 0.242 548 G HA3 -0.313 3.663 3.960 0.027 0.000 0.242 548 G C 0.951 176.039 174.900 0.312 0.000 0.982 548 G CA 0.724 45.918 45.100 0.156 0.000 0.662 548 G HN 0.751 nan 8.290 nan 0.000 0.527 549 F N 1.720 121.791 119.950 0.200 0.000 2.134 549 F HA 0.157 4.700 4.527 0.028 0.000 0.299 549 F C 2.671 178.686 175.800 0.358 0.000 1.097 549 F CA 2.342 60.538 58.000 0.327 0.000 1.264 549 F CB -0.554 38.580 39.000 0.222 0.000 1.001 549 F HN 0.346 nan 8.300 nan 0.000 0.479 550 A N -0.236 122.750 122.820 0.276 0.000 1.978 550 A HA -0.264 4.072 4.320 0.027 0.000 0.220 550 A C 2.323 179.924 177.584 0.028 0.000 1.170 550 A CA 1.867 53.990 52.037 0.144 0.000 0.636 550 A CB -0.849 18.238 19.000 0.145 0.000 0.810 550 A HN 0.446 nan 8.150 nan 0.000 0.448 551 K N -1.674 118.730 120.400 0.006 0.000 2.097 551 K HA -0.186 4.150 4.320 0.027 0.000 0.206 551 K C 1.739 178.105 176.600 -0.392 0.000 1.049 551 K CA 1.718 57.921 56.287 -0.139 0.000 0.933 551 K CB -0.308 32.120 32.500 -0.120 0.000 0.717 551 K HN 0.604 nan 8.250 nan 0.000 0.442 552 Y N -0.891 119.132 120.300 -0.462 0.000 2.163 552 Y HA -0.237 4.328 4.550 0.025 0.000 0.288 552 Y C 2.001 176.895 175.900 -1.677 0.000 1.136 552 Y CA 1.512 58.965 58.100 -1.078 0.000 1.147 552 Y CB -0.293 37.508 38.460 -1.098 0.000 0.987 552 Y HN 0.174 nan 8.280 nan 0.000 0.509 553 W N 0.037 120.866 121.300 -0.785 0.000 2.342 553 W HA -0.220 4.458 4.660 0.030 0.000 0.297 553 W C 2.612 178.933 176.519 -0.329 0.000 1.213 553 W CA 1.560 58.585 57.345 -0.533 0.000 1.251 553 W CB -0.623 28.616 29.460 -0.368 0.000 1.136 553 W HN 0.058 nan 8.180 nan 0.000 0.526 554 Q N 0.608 120.299 119.800 -0.182 0.000 2.124 554 Q HA -0.161 4.195 4.340 0.027 0.000 0.202 554 Q C 2.207 178.137 176.000 -0.117 0.000 0.977 554 Q CA 1.961 57.705 55.803 -0.098 0.000 0.850 554 Q CB -0.523 28.174 28.738 -0.068 0.000 0.901 554 Q HN 0.282 nan 8.270 nan 0.000 0.429 555 A N -0.051 122.611 122.820 -0.264 0.000 1.898 555 A HA -0.108 4.228 4.320 0.027 0.000 0.216 555 A C 2.017 179.585 177.584 -0.026 0.000 1.181 555 A CA 0.999 52.935 52.037 -0.168 0.000 0.620 555 A CB -1.052 17.723 19.000 -0.376 0.000 0.819 555 A HN 0.463 nan 8.150 nan 0.000 0.442 556 F N -0.264 119.516 119.950 -0.283 0.000 2.126 556 F HA -0.232 4.312 4.527 0.027 0.000 0.299 556 F C 2.754 178.449 175.800 -0.174 0.000 1.096 556 F CA 1.188 58.987 58.000 -0.335 0.000 1.255 556 F CB -0.166 38.418 39.000 -0.695 0.000 0.997 556 F HN 0.166 nan 8.300 nan 0.000 0.479 557 R N -0.034 120.507 120.500 0.068 0.000 2.115 557 R HA -0.151 4.205 4.340 0.027 0.000 0.226 557 R C 2.086 178.404 176.300 0.031 0.000 1.100 557 R CA 1.095 57.219 56.100 0.039 0.000 0.980 557 R CB -0.381 29.935 30.300 0.027 0.000 0.875 557 R HN 0.378 nan 8.270 nan 0.000 0.445 558 Q N -0.268 119.573 119.800 0.069 0.000 2.212 558 Q HA -0.048 4.308 4.340 0.027 0.000 0.199 558 Q C -0.428 175.554 176.000 -0.031 0.000 0.950 558 Q CA 0.897 56.716 55.803 0.027 0.000 0.863 558 Q CB 0.379 29.160 28.738 0.070 0.000 0.944 558 Q HN 0.207 nan 8.270 nan 0.000 0.465 559 Y N 0.265 120.541 120.300 -0.039 0.000 2.353 559 Y HA 0.260 4.824 4.550 0.024 0.000 0.340 559 Y C -1.783 174.089 175.900 -0.047 0.000 0.972 559 Y CA -2.659 55.419 58.100 -0.037 0.000 1.157 559 Y CB 1.521 39.964 38.460 -0.028 0.000 1.157 559 Y HN 0.135 nan 8.280 nan 0.000 0.495 560 P HA -0.201 nan 4.420 nan 0.000 0.216 560 P C 1.144 178.444 177.300 -0.000 0.000 1.157 560 P CA 1.904 65.003 63.100 -0.001 0.000 0.880 560 P CB 0.290 31.975 31.700 -0.026 0.000 0.791 561 R N -1.267 119.253 120.500 0.034 0.000 2.307 561 R HA 0.106 4.462 4.340 0.027 0.000 0.199 561 R C 0.461 176.742 176.300 -0.033 0.000 1.000 561 R CA 0.069 56.170 56.100 0.002 0.000 1.023 561 R CB -0.442 29.870 30.300 0.021 0.000 0.908 561 R HN 0.236 nan 8.270 nan 0.000 0.473 562 L N 1.905 123.128 121.223 -0.001 0.000 2.334 562 L HA 0.120 4.476 4.340 0.027 0.000 0.286 562 L C 0.574 177.305 176.870 -0.231 0.000 1.108 562 L CA 0.192 54.987 54.840 -0.075 0.000 0.875 562 L CB 1.027 43.119 42.059 0.056 0.000 1.246 562 L HN 0.089 nan 8.230 nan 0.000 0.439 563 Q N 2.587 122.175 119.800 -0.354 0.000 2.201 563 Q HA 0.294 4.650 4.340 0.027 0.000 0.217 563 Q C 0.846 176.428 176.000 -0.697 0.000 0.860 563 Q CA 0.117 55.671 55.803 -0.416 0.000 0.984 563 Q CB 0.934 29.519 28.738 -0.255 0.000 1.095 563 Q HN 0.945 nan 8.270 nan 0.000 0.477 564 G N -0.515 107.493 108.800 -1.320 0.000 2.378 564 G HA2 0.137 4.113 3.960 0.027 0.000 0.198 564 G HA3 0.137 4.113 3.960 0.027 0.000 0.198 564 G C -0.343 173.725 174.900 -1.387 0.000 1.223 564 G CA -0.754 43.226 45.100 -1.867 0.000 1.088 564 G HN 0.544 nan 8.290 nan 0.000 0.530 565 G N -2.220 106.059 108.800 -0.869 0.000 2.349 565 G HA2 0.633 4.610 3.960 0.027 0.000 0.294 565 G HA3 0.633 4.610 3.960 0.027 0.000 0.294 565 G C -1.898 172.935 174.900 -0.111 0.000 1.380 565 G CA -0.304 44.519 45.100 -0.461 0.000 0.811 565 G HN 1.152 nan 8.290 nan 0.000 0.519 566 F N 0.673 120.887 119.950 0.440 0.000 2.403 566 F HA 0.513 5.054 4.527 0.025 0.000 0.355 566 F C 0.776 176.815 175.800 0.398 0.000 1.119 566 F CA -0.728 57.513 58.000 0.401 0.000 1.007 566 F CB 2.098 41.232 39.000 0.224 0.000 1.194 566 F HN 0.267 nan 8.300 nan 0.000 0.443 567 V N 3.478 123.634 119.914 0.404 0.000 2.872 567 V HA -0.154 3.982 4.120 0.027 0.000 0.307 567 V C -0.248 175.950 176.094 0.173 0.000 1.072 567 V CA -0.109 62.221 62.300 0.050 0.000 1.148 567 V CB 0.732 32.607 31.823 0.086 0.000 0.954 567 V HN 0.737 nan 8.190 nan 0.000 0.490 568 W N 6.535 127.889 121.300 0.089 0.000 2.278 568 W HA 0.452 5.127 4.660 0.026 0.000 0.317 568 W C -0.769 175.721 176.519 -0.048 0.000 1.030 568 W CA -0.645 56.789 57.345 0.149 0.000 1.334 568 W CB 1.238 30.978 29.460 0.468 0.000 1.215 568 W HN 0.915 nan 8.180 nan 0.000 0.405 569 D N 2.647 122.745 120.400 -0.503 0.000 2.825 569 D HA 0.077 4.733 4.640 0.027 0.000 0.327 569 D C 0.639 176.690 176.300 -0.416 0.000 1.277 569 D CA -0.583 52.968 54.000 -0.748 0.000 0.950 569 D CB 0.190 39.890 40.800 -1.834 0.000 1.438 569 D HN 0.403 nan 8.370 nan 0.000 0.526 570 W N 0.522 121.480 121.300 -0.571 0.000 2.380 570 W HA 0.105 4.781 4.660 0.027 0.000 0.317 570 W C -0.115 176.154 176.519 -0.417 0.000 1.196 570 W CA 1.161 58.227 57.345 -0.466 0.000 1.307 570 W CB 0.311 29.518 29.460 -0.422 0.000 1.157 570 W HN 0.160 nan 8.180 nan 0.000 0.483 571 V N 2.649 122.287 119.914 -0.460 0.000 2.656 571 V HA 0.235 4.372 4.120 0.027 0.000 0.307 571 V C -0.805 175.057 176.094 -0.387 0.000 1.051 571 V CA -0.798 61.190 62.300 -0.520 0.000 0.893 571 V CB 1.515 33.130 31.823 -0.347 0.000 0.999 571 V HN -0.110 nan 8.190 nan 0.000 0.426 572 D N 3.998 124.171 120.400 -0.378 0.000 2.455 572 D HA 0.116 4.773 4.640 0.027 0.000 0.241 572 D C 0.297 176.407 176.300 -0.316 0.000 1.138 572 D CA 0.576 54.412 54.000 -0.273 0.000 0.877 572 D CB 0.961 41.690 40.800 -0.119 0.000 1.187 572 D HN 0.611 nan 8.370 nan 0.000 0.451 573 Q N 1.012 120.551 119.800 -0.436 0.000 2.894 573 Q HA 0.122 4.478 4.340 0.027 0.000 0.358 573 Q C -0.047 175.861 176.000 -0.153 0.000 1.155 573 Q CA -0.343 54.925 55.803 -0.892 0.000 0.960 573 Q CB 0.056 28.400 28.738 -0.657 0.000 1.428 573 Q HN 0.351 nan 8.270 nan 0.000 0.437 574 S N -0.267 115.481 115.700 0.081 0.000 2.610 574 S HA 0.586 5.072 4.470 0.027 0.000 0.273 574 S C -0.076 174.718 174.600 0.325 0.000 1.274 574 S CA -0.736 57.638 58.200 0.290 0.000 1.023 574 S CB 1.338 64.692 63.200 0.258 0.000 0.962 574 S HN 0.325 nan 8.310 nan 0.000 0.523 575 L N 1.778 123.117 121.223 0.193 0.000 2.342 575 L HA 0.533 4.889 4.340 0.027 0.000 0.271 575 L C -0.313 176.471 176.870 -0.142 0.000 1.008 575 L CA -1.206 53.613 54.840 -0.034 0.000 0.818 575 L CB 1.405 43.316 42.059 -0.247 0.000 1.296 575 L HN 0.550 nan 8.230 nan 0.000 0.427 576 I N 2.091 122.520 120.570 -0.235 0.000 2.519 576 I HA 0.285 4.471 4.170 0.027 0.000 0.287 576 I C 0.093 175.821 176.117 -0.648 0.000 1.047 576 I CA -0.033 61.008 61.300 -0.432 0.000 1.381 576 I CB 1.247 39.003 38.000 -0.405 0.000 1.417 576 I HN 0.593 nan 8.210 nan 0.000 0.540 577 K N 4.771 124.519 120.400 -1.087 0.000 2.444 577 K HA 0.562 4.898 4.320 0.027 0.000 0.252 577 K C -1.622 174.192 176.600 -1.310 0.000 0.993 577 K CA -0.655 54.901 56.287 -1.218 0.000 0.847 577 K CB 2.432 33.968 32.500 -1.606 0.000 1.340 577 K HN 0.224 nan 8.250 nan 0.000 0.446 578 Y N 0.645 120.748 120.300 -0.328 0.000 2.393 578 Y HA 0.172 4.738 4.550 0.027 0.000 0.341 578 Y C 0.101 176.104 175.900 0.171 0.000 0.988 578 Y CA -1.241 56.829 58.100 -0.051 0.000 1.078 578 Y CB 1.132 39.575 38.460 -0.029 0.000 1.203 578 Y HN 0.643 nan 8.280 nan 0.000 0.453 579 D N 0.314 120.966 120.400 0.419 0.000 2.383 579 D HA 0.064 4.720 4.640 0.027 0.000 0.248 579 D C 0.535 176.951 176.300 0.193 0.000 1.170 579 D CA -0.420 53.769 54.000 0.315 0.000 0.977 579 D CB 0.744 41.679 40.800 0.226 0.000 1.120 579 D HN 0.727 nan 8.370 nan 0.000 0.481 580 E N 0.103 120.377 120.200 0.123 0.000 2.086 580 E HA -0.281 4.085 4.350 0.027 0.000 0.200 580 E C 1.066 177.707 176.600 0.069 0.000 1.012 580 E CA 1.635 58.081 56.400 0.077 0.000 0.812 580 E CB -0.540 29.187 29.700 0.045 0.000 0.743 580 E HN 0.541 nan 8.360 nan 0.000 0.453 581 N N 0.312 119.056 118.700 0.073 0.000 2.501 581 N HA 0.024 4.780 4.740 0.027 0.000 0.195 581 N C 1.050 176.604 175.510 0.074 0.000 1.213 581 N CA 0.879 53.965 53.050 0.060 0.000 0.864 581 N CB 0.566 39.082 38.487 0.047 0.000 0.999 581 N HN 0.361 nan 8.380 nan 0.000 0.454 582 G N 0.081 108.947 108.800 0.110 0.000 2.157 582 G HA2 -0.263 3.713 3.960 0.027 0.000 0.248 582 G HA3 -0.263 3.713 3.960 0.027 0.000 0.248 582 G C -0.448 174.589 174.900 0.228 0.000 0.979 582 G CA -0.325 44.846 45.100 0.117 0.000 0.650 582 G HN 0.443 nan 8.290 nan 0.000 0.529 583 N N 1.755 120.597 118.700 0.237 0.000 2.518 583 N HA 0.450 5.206 4.740 0.027 0.000 0.283 583 N C -2.684 173.005 175.510 0.297 0.000 1.119 583 N CA -1.152 52.048 53.050 0.250 0.000 0.983 583 N CB 1.672 40.261 38.487 0.170 0.000 1.139 583 N HN 0.168 nan 8.380 nan 0.000 0.465 584 P HA 0.221 nan 4.420 nan 0.000 0.280 584 P C -0.509 176.786 177.300 -0.009 0.000 1.244 584 P CA -0.281 62.743 63.100 -0.126 0.000 0.784 584 P CB 0.517 32.149 31.700 -0.113 0.000 0.913 585 W N 0.192 121.284 121.300 -0.346 0.000 3.033 585 W HA 0.453 5.129 4.660 0.027 0.000 0.336 585 W C -1.321 175.023 176.519 -0.292 0.000 1.173 585 W CA -1.176 55.970 57.345 -0.331 0.000 1.185 585 W CB 0.474 29.543 29.460 -0.651 0.000 1.425 585 W HN 0.110 nan 8.180 nan 0.000 0.536 586 S N 1.751 117.545 115.700 0.157 0.000 2.455 586 S HA 0.514 5.000 4.470 0.027 0.000 0.278 586 S C 0.243 175.028 174.600 0.308 0.000 1.216 586 S CA -0.221 58.065 58.200 0.144 0.000 1.055 586 S CB 0.604 63.931 63.200 0.212 0.000 0.939 586 S HN 0.584 nan 8.310 nan 0.000 0.494 587 A N 3.194 126.032 122.820 0.030 0.000 2.320 587 A HA 0.880 5.217 4.320 0.027 0.000 0.334 587 A C -0.585 177.251 177.584 0.420 0.000 1.147 587 A CA -0.723 51.364 52.037 0.083 0.000 0.820 587 A CB 0.629 19.352 19.000 -0.461 0.000 1.218 587 A HN 0.846 nan 8.150 nan 0.000 0.482 588 Y N -0.874 119.730 120.300 0.507 0.000 3.068 588 Y HA 0.760 5.326 4.550 0.027 0.000 0.302 588 Y C 0.651 176.927 175.900 0.626 0.000 1.610 588 Y CA -1.309 57.111 58.100 0.533 0.000 1.078 588 Y CB -0.063 38.550 38.460 0.256 0.000 1.418 588 Y HN 0.931 nan 8.280 nan 0.000 0.525 589 G N -0.019 109.214 108.800 0.722 0.000 2.224 589 G HA2 0.355 4.331 3.960 0.027 0.000 0.239 589 G HA3 0.355 4.331 3.960 0.027 0.000 0.239 589 G C 1.004 176.222 174.900 0.529 0.000 1.240 589 G CA 0.514 45.953 45.100 0.565 0.000 0.896 589 G HN 1.996 nan 8.290 nan 0.000 0.496 590 G N 2.291 111.359 108.800 0.447 0.000 2.267 590 G HA2 -0.306 3.670 3.960 0.027 0.000 0.257 590 G HA3 -0.306 3.670 3.960 0.027 0.000 0.257 590 G C 0.971 176.036 174.900 0.274 0.000 0.998 590 G CA 0.746 46.040 45.100 0.323 0.000 0.620 590 G HN 0.655 nan 8.290 nan 0.000 0.529 591 D N -0.168 120.390 120.400 0.264 0.000 2.378 591 D HA 0.091 4.747 4.640 0.027 0.000 0.222 591 D C 1.392 177.505 176.300 -0.312 0.000 0.980 591 D CA 0.546 54.534 54.000 -0.020 0.000 0.907 591 D CB -0.219 40.521 40.800 -0.099 0.000 0.899 591 D HN 0.495 nan 8.370 nan 0.000 0.527 592 F N -0.789 119.276 119.950 0.191 0.000 2.639 592 F HA 0.299 4.842 4.527 0.027 0.000 0.302 592 F C 1.834 177.709 175.800 0.125 0.000 1.097 592 F CA -0.080 57.991 58.000 0.118 0.000 1.294 592 F CB 0.736 39.804 39.000 0.113 0.000 1.027 592 F HN -0.035 nan 8.300 nan 0.000 0.550 593 G N 0.243 109.177 108.800 0.223 0.000 2.176 593 G HA2 -0.268 3.708 3.960 0.027 0.000 0.253 593 G HA3 -0.268 3.708 3.960 0.027 0.000 0.253 593 G C -0.181 174.848 174.900 0.215 0.000 0.979 593 G CA 0.084 45.295 45.100 0.184 0.000 0.641 593 G HN 0.405 nan 8.290 nan 0.000 0.530 594 D N 0.542 121.120 120.400 0.296 0.000 2.417 594 D HA 0.481 5.138 4.640 0.027 0.000 0.250 594 D C 0.056 176.474 176.300 0.196 0.000 1.166 594 D CA 0.999 55.165 54.000 0.277 0.000 0.881 594 D CB 1.614 42.646 40.800 0.386 0.000 1.164 594 D HN 0.305 nan 8.370 nan 0.000 0.467 595 T N 1.364 116.005 114.554 0.146 0.000 3.097 595 T HA 0.414 4.780 4.350 0.027 0.000 0.332 595 T C -2.740 171.997 174.700 0.062 0.000 1.269 595 T CA -1.105 61.051 62.100 0.093 0.000 1.076 595 T CB 1.222 70.142 68.868 0.087 0.000 1.209 595 T HN 0.228 nan 8.240 nan 0.000 0.474 596 P HA 0.568 nan 4.420 nan 0.000 0.274 596 P C -0.966 176.322 177.300 -0.021 0.000 1.256 596 P CA -0.392 62.706 63.100 -0.002 0.000 0.795 596 P CB 0.427 32.100 31.700 -0.044 0.000 1.038 597 N N -2.135 116.539 118.700 -0.043 0.000 2.825 597 N HA 0.251 5.007 4.740 0.027 0.000 0.253 597 N C -1.183 174.239 175.510 -0.145 0.000 1.426 597 N CA -0.730 52.261 53.050 -0.098 0.000 0.851 597 N CB 0.592 39.113 38.487 0.056 0.000 1.470 597 N HN 0.065 nan 8.380 nan 0.000 0.517 598 D N -0.097 120.138 120.400 -0.274 0.000 2.525 598 D HA 0.205 4.862 4.640 0.027 0.000 0.229 598 D C 0.228 176.634 176.300 0.176 0.000 1.202 598 D CA -0.228 53.667 54.000 -0.175 0.000 0.828 598 D CB 0.107 40.666 40.800 -0.401 0.000 1.008 598 D HN 0.397 nan 8.370 nan 0.000 0.493 599 R N 1.010 121.665 120.500 0.258 0.000 3.750 599 R HA -0.248 4.108 4.340 0.027 0.000 0.495 599 R C 1.532 177.921 176.300 0.148 0.000 0.241 599 R CA 1.472 57.763 56.100 0.319 0.000 1.551 599 R CB -1.635 28.748 30.300 0.138 0.000 0.956 599 R HN 0.324 nan 8.270 nan 0.000 0.584 600 Q N 1.412 120.987 119.800 -0.375 0.000 2.444 600 Q HA -0.024 4.332 4.340 0.027 0.000 0.206 600 Q C 1.720 177.581 176.000 -0.231 0.000 0.948 600 Q CA 1.107 56.515 55.803 -0.658 0.000 0.946 600 Q CB -0.204 27.936 28.738 -0.995 0.000 1.027 600 Q HN 0.529 nan 8.270 nan 0.000 0.513 601 F N 2.309 122.187 119.950 -0.119 0.000 2.449 601 F HA -0.141 4.402 4.527 0.026 0.000 0.299 601 F C 1.941 177.707 175.800 -0.057 0.000 1.092 601 F CA 0.911 58.913 58.000 0.003 0.000 1.446 601 F CB -0.072 38.990 39.000 0.103 0.000 1.084 601 F HN 0.441 nan 8.300 nan 0.000 0.567 602 C N -0.963 118.043 119.300 -0.490 0.000 2.576 602 C HA 0.259 4.736 4.460 0.027 0.000 0.267 602 C C 0.995 175.712 174.990 -0.455 0.000 1.364 602 C CA -0.498 58.012 59.018 -0.847 0.000 1.723 602 C CB -1.908 24.732 27.740 -1.834 0.000 1.778 602 C HN 0.234 nan 8.230 nan 0.000 0.572 603 M N 2.630 122.029 119.600 -0.335 0.000 2.131 603 M HA 0.280 4.776 4.480 0.027 0.000 0.345 603 M C -0.424 175.731 176.300 -0.243 0.000 1.060 603 M CA 0.325 55.487 55.300 -0.230 0.000 1.011 603 M CB -0.030 32.501 32.600 -0.116 0.000 1.328 603 M HN 0.367 nan 8.290 nan 0.000 0.396 604 N N 0.837 119.372 118.700 -0.275 0.000 2.305 604 N HA 0.206 4.962 4.740 0.027 0.000 0.248 604 N C 0.350 175.637 175.510 -0.372 0.000 1.290 604 N CA -0.564 52.283 53.050 -0.338 0.000 0.873 604 N CB 1.221 39.520 38.487 -0.315 0.000 1.261 604 N HN 0.636 nan 8.380 nan 0.000 0.504 605 G N -0.050 108.504 108.800 -0.411 0.000 2.528 605 G HA2 0.343 4.319 3.960 0.027 0.000 0.289 605 G HA3 0.343 4.319 3.960 0.027 0.000 0.289 605 G C 0.690 175.164 174.900 -0.710 0.000 1.192 605 G CA -0.533 44.226 45.100 -0.569 0.000 0.921 605 G HN 0.110 nan 8.290 nan 0.000 0.512 606 L N -0.415 120.372 121.223 -0.727 0.000 2.418 606 L HA 0.149 4.505 4.340 0.027 0.000 0.218 606 L C 0.817 177.088 176.870 -0.999 0.000 1.125 606 L CA 0.313 54.746 54.840 -0.678 0.000 0.835 606 L CB -0.178 41.609 42.059 -0.453 0.000 0.953 606 L HN 0.381 nan 8.230 nan 0.000 0.454 607 V N -5.064 114.111 119.914 -1.233 0.000 2.962 607 V HA 0.470 4.606 4.120 0.027 0.000 0.313 607 V C -0.312 175.236 176.094 -0.910 0.000 1.099 607 V CA -1.266 60.399 62.300 -1.059 0.000 0.971 607 V CB 1.645 32.923 31.823 -0.909 0.000 1.028 607 V HN -0.135 nan 8.190 nan 0.000 0.430 608 F N 1.641 121.360 119.950 -0.385 0.000 2.490 608 F HA 0.532 5.075 4.527 0.028 0.000 0.336 608 F C 1.959 177.651 175.800 -0.180 0.000 1.178 608 F CA 0.610 58.535 58.000 -0.126 0.000 1.301 608 F CB 1.046 40.044 39.000 -0.003 0.000 1.175 608 F HN 0.805 nan 8.300 nan 0.000 0.593 609 A N 0.942 123.835 122.820 0.122 0.000 2.032 609 A HA -0.246 4.090 4.320 0.027 0.000 0.221 609 A C 1.636 179.197 177.584 -0.038 0.000 1.165 609 A CA 1.977 54.038 52.037 0.041 0.000 0.645 609 A CB -0.938 18.128 19.000 0.109 0.000 0.807 609 A HN 0.807 nan 8.150 nan 0.000 0.453 610 D N -3.261 117.138 120.400 -0.001 0.000 2.328 610 D HA 0.153 4.810 4.640 0.027 0.000 0.226 610 D C 0.714 176.997 176.300 -0.029 0.000 1.066 610 D CA 0.069 54.039 54.000 -0.050 0.000 0.861 610 D CB -0.017 40.759 40.800 -0.041 0.000 0.912 610 D HN 0.225 nan 8.370 nan 0.000 0.521 611 R N -1.940 118.537 120.500 -0.039 0.000 3.584 611 R HA -0.113 4.243 4.340 0.027 0.000 0.488 611 R C -0.246 176.042 176.300 -0.021 0.000 0.869 611 R CA 1.098 57.162 56.100 -0.059 0.000 1.325 611 R CB -3.123 27.178 30.300 0.002 0.000 2.015 611 R HN 0.261 nan 8.270 nan 0.000 0.489 612 T N 2.690 117.280 114.554 0.060 0.000 2.930 612 T HA 0.371 4.737 4.350 0.027 0.000 0.306 612 T C -2.327 172.460 174.700 0.144 0.000 1.045 612 T CA -0.675 61.493 62.100 0.114 0.000 1.134 612 T CB 1.052 70.008 68.868 0.147 0.000 0.961 612 T HN -0.085 nan 8.240 nan 0.000 0.545 613 P HA 0.272 nan 4.420 nan 0.000 0.281 613 P C -0.265 177.068 177.300 0.056 0.000 1.249 613 P CA -0.437 62.643 63.100 -0.034 0.000 0.810 613 P CB 0.542 32.233 31.700 -0.016 0.000 1.008 614 H N 2.025 120.920 119.070 -0.293 0.000 2.495 614 H HA 0.155 4.727 4.556 0.027 0.000 0.350 614 H C -1.276 173.950 175.328 -0.171 0.000 1.202 614 H CA -2.009 53.844 56.048 -0.325 0.000 1.322 614 H CB 0.522 30.041 29.762 -0.404 0.000 1.544 614 H HN 0.319 nan 8.280 nan 0.000 0.565 615 P HA -0.166 nan 4.420 nan 0.000 0.218 615 P C 1.121 178.419 177.300 -0.002 0.000 1.148 615 P CA 1.448 64.535 63.100 -0.021 0.000 0.822 615 P CB -0.017 31.666 31.700 -0.029 0.000 0.784 616 A N -0.588 122.234 122.820 0.004 0.000 2.070 616 A HA -0.174 4.163 4.320 0.027 0.000 0.220 616 A C 2.069 179.605 177.584 -0.080 0.000 1.159 616 A CA 1.144 53.150 52.037 -0.051 0.000 0.656 616 A CB -1.586 17.360 19.000 -0.089 0.000 0.800 616 A HN 0.156 nan 8.150 nan 0.000 0.453 617 L N -0.499 120.693 121.223 -0.051 0.000 2.079 617 L HA -0.137 4.219 4.340 0.027 0.000 0.210 617 L C 2.534 179.442 176.870 0.063 0.000 1.081 617 L CA 2.724 57.565 54.840 0.001 0.000 0.752 617 L CB -0.987 41.066 42.059 -0.010 0.000 0.896 617 L HN 0.390 nan 8.230 nan 0.000 0.433 618 T N -1.748 112.849 114.554 0.072 0.000 2.867 618 T HA -0.193 4.173 4.350 0.027 0.000 0.268 618 T C 1.802 176.607 174.700 0.176 0.000 1.057 618 T CA 1.392 63.587 62.100 0.159 0.000 1.136 618 T CB -0.123 68.823 68.868 0.129 0.000 0.874 618 T HN 0.482 nan 8.240 nan 0.000 0.466 619 E N 0.930 121.177 120.200 0.079 0.000 2.051 619 E HA -0.001 4.365 4.350 0.027 0.000 0.192 619 E C 2.225 178.841 176.600 0.028 0.000 0.991 619 E CA 1.537 57.985 56.400 0.079 0.000 0.799 619 E CB -0.691 29.023 29.700 0.025 0.000 0.748 619 E HN 0.540 nan 8.360 nan 0.000 0.449 620 A N 0.992 123.723 122.820 -0.148 0.000 1.877 620 A HA -0.250 4.086 4.320 0.027 0.000 0.216 620 A C 2.179 179.663 177.584 -0.167 0.000 1.186 620 A CA 2.023 53.936 52.037 -0.208 0.000 0.620 620 A CB -0.688 18.158 19.000 -0.255 0.000 0.822 620 A HN 0.285 nan 8.150 nan 0.000 0.443 621 K N -1.229 119.141 120.400 -0.050 0.000 2.032 621 K HA -0.300 4.036 4.320 0.027 0.000 0.209 621 K C 2.066 178.572 176.600 -0.156 0.000 1.048 621 K CA 2.085 58.353 56.287 -0.031 0.000 0.927 621 K CB -0.361 32.267 32.500 0.215 0.000 0.712 621 K HN 0.649 nan 8.250 nan 0.000 0.441 622 H N 0.434 119.337 119.070 -0.279 0.000 2.357 622 H HA -0.033 4.540 4.556 0.028 0.000 0.301 622 H C 1.975 177.028 175.328 -0.457 0.000 1.082 622 H CA 1.830 57.518 56.048 -0.600 0.000 1.342 622 H CB 0.072 29.508 29.762 -0.544 0.000 1.389 622 H HN 0.256 nan 8.280 nan 0.000 0.511 623 Q N 0.189 119.719 119.800 -0.450 0.000 2.224 623 Q HA -0.098 4.258 4.340 0.027 0.000 0.203 623 Q C 1.551 177.006 176.000 -0.908 0.000 0.970 623 Q CA 1.206 56.658 55.803 -0.585 0.000 0.865 623 Q CB 0.036 28.578 28.738 -0.327 0.000 0.922 623 Q HN 0.715 nan 8.270 nan 0.000 0.445 624 Q N 0.232 119.450 119.800 -0.970 0.000 2.280 624 Q HA 0.078 4.434 4.340 0.027 0.000 0.202 624 Q C -0.085 175.367 176.000 -0.915 0.000 0.903 624 Q CA -0.215 54.882 55.803 -1.178 0.000 0.948 624 Q CB 0.316 28.383 28.738 -1.119 0.000 1.058 624 Q HN 0.358 nan 8.270 nan 0.000 0.493 625 Q N -0.418 118.996 119.800 -0.644 0.000 2.386 625 Q HA -0.039 4.317 4.340 0.027 0.000 0.282 625 Q C -0.157 175.506 176.000 -0.562 0.000 1.050 625 Q CA 0.383 55.942 55.803 -0.406 0.000 0.918 625 Q CB 0.468 29.045 28.738 -0.268 0.000 1.266 625 Q HN 0.300 nan 8.270 nan 0.000 0.423 626 F N 0.509 120.240 119.950 -0.365 0.000 2.727 626 F HA 0.212 4.755 4.527 0.026 0.000 0.302 626 F C -0.198 175.056 175.800 -0.910 0.000 1.097 626 F CA -0.058 57.490 58.000 -0.754 0.000 1.330 626 F CB 0.509 38.710 39.000 -1.332 0.000 1.084 626 F HN 0.302 nan 8.300 nan 0.000 0.578 627 F N 0.676 120.548 119.950 -0.130 0.000 2.493 627 F HA 0.477 5.021 4.527 0.028 0.000 0.329 627 F C -0.011 175.436 175.800 -0.587 0.000 1.126 627 F CA -1.090 56.727 58.000 -0.306 0.000 0.937 627 F CB 1.170 40.019 39.000 -0.251 0.000 1.146 627 F HN -0.291 nan 8.300 nan 0.000 0.442 628 Q N 3.376 122.903 119.800 -0.455 0.000 2.266 628 Q HA 0.577 4.933 4.340 0.027 0.000 0.261 628 Q C -1.301 174.386 176.000 -0.522 0.000 0.985 628 Q CA -0.589 54.982 55.803 -0.387 0.000 0.873 628 Q CB 2.782 31.423 28.738 -0.161 0.000 1.306 628 Q HN 0.556 nan 8.270 nan 0.000 0.447 629 F N 0.340 120.422 119.950 0.220 0.000 2.576 629 F HA 0.589 5.132 4.527 0.028 0.000 0.313 629 F C 0.345 176.386 175.800 0.401 0.000 1.078 629 F CA -0.864 57.340 58.000 0.340 0.000 0.921 629 F CB 2.035 41.378 39.000 0.572 0.000 1.232 629 F HN 0.145 nan 8.300 nan 0.000 0.459 630 R N 1.621 122.415 120.500 0.491 0.000 2.795 630 R HA 0.755 5.111 4.340 0.027 0.000 0.275 630 R C -1.982 174.370 176.300 0.087 0.000 0.981 630 R CA -1.285 55.023 56.100 0.346 0.000 0.917 630 R CB 3.047 33.455 30.300 0.181 0.000 1.202 630 R HN 0.582 nan 8.270 nan 0.000 0.469 631 L N 0.467 121.627 121.223 -0.105 0.000 2.365 631 L HA 0.573 4.929 4.340 0.027 0.000 0.273 631 L C -1.079 175.648 176.870 -0.237 0.000 1.000 631 L CA -0.024 54.553 54.840 -0.437 0.000 0.819 631 L CB 2.185 43.547 42.059 -1.162 0.000 1.284 631 L HN 0.612 nan 8.230 nan 0.000 0.418 632 S N 3.967 119.545 115.700 -0.203 0.000 2.736 632 S HA 0.755 5.241 4.470 0.027 0.000 0.285 632 S C 0.147 174.661 174.600 -0.144 0.000 1.163 632 S CA 0.310 58.429 58.200 -0.134 0.000 1.025 632 S CB 0.460 63.613 63.200 -0.078 0.000 1.030 632 S HN 1.788 nan 8.310 nan 0.000 0.486 633 G N 4.898 113.616 108.800 -0.136 0.000 2.556 633 G HA2 -0.290 3.686 3.960 0.027 0.000 0.283 633 G HA3 -0.290 3.686 3.960 0.027 0.000 0.283 633 G C -0.123 174.672 174.900 -0.175 0.000 1.177 633 G CA 0.731 45.754 45.100 -0.129 0.000 0.978 633 G HN 1.064 nan 8.290 nan 0.000 0.554 634 Q N 0.549 120.248 119.800 -0.169 0.000 2.237 634 Q HA 0.499 4.855 4.340 0.027 0.000 0.252 634 Q C 0.272 176.139 176.000 -0.222 0.000 0.877 634 Q CA 0.596 56.270 55.803 -0.215 0.000 1.011 634 Q CB 0.147 28.769 28.738 -0.194 0.000 1.118 634 Q HN 0.473 nan 8.270 nan 0.000 0.458 635 T N 0.896 115.328 114.554 -0.203 0.000 2.791 635 T HA 0.553 4.919 4.350 0.027 0.000 0.288 635 T C -0.300 174.285 174.700 -0.192 0.000 0.999 635 T CA -0.464 61.535 62.100 -0.168 0.000 0.952 635 T CB 0.746 69.549 68.868 -0.109 0.000 0.938 635 T HN 0.219 nan 8.240 nan 0.000 0.444 636 I N 3.086 123.556 120.570 -0.167 0.000 2.331 636 I HA 0.285 4.471 4.170 0.027 0.000 0.292 636 I C 0.575 176.709 176.117 0.029 0.000 0.998 636 I CA -0.422 60.811 61.300 -0.112 0.000 1.267 636 I CB 0.996 38.958 38.000 -0.064 0.000 1.386 636 I HN 0.548 nan 8.210 nan 0.000 0.476 637 E N 6.887 127.140 120.200 0.089 0.000 2.133 637 E HA 0.420 4.786 4.350 0.027 0.000 0.274 637 E C -1.565 175.147 176.600 0.187 0.000 0.930 637 E CA -0.621 55.845 56.400 0.110 0.000 0.770 637 E CB 1.656 31.399 29.700 0.071 0.000 1.104 637 E HN 0.327 nan 8.360 nan 0.000 0.403 638 V N 4.180 124.190 119.914 0.159 0.000 2.394 638 V HA 0.325 4.461 4.120 0.027 0.000 0.282 638 V C -0.002 176.125 176.094 0.054 0.000 1.031 638 V CA -0.472 61.891 62.300 0.105 0.000 0.881 638 V CB 1.666 33.598 31.823 0.183 0.000 0.982 638 V HN 0.708 nan 8.190 nan 0.000 0.451 639 T N 3.397 117.936 114.554 -0.026 0.000 2.829 639 T HA 0.377 4.743 4.350 0.027 0.000 0.280 639 T C -0.110 174.576 174.700 -0.023 0.000 0.999 639 T CA -0.263 61.829 62.100 -0.013 0.000 0.983 639 T CB 1.628 70.467 68.868 -0.049 0.000 0.968 639 T HN 0.695 nan 8.240 nan 0.000 0.446 640 S N 1.627 117.318 115.700 -0.014 0.000 2.554 640 S HA 0.268 4.754 4.470 0.027 0.000 0.278 640 S C 0.641 175.104 174.600 -0.229 0.000 1.242 640 S CA -0.553 57.555 58.200 -0.154 0.000 1.051 640 S CB 0.699 63.881 63.200 -0.031 0.000 0.986 640 S HN 0.729 nan 8.310 nan 0.000 0.502 641 E N 2.502 122.471 120.200 -0.386 0.000 2.501 641 E HA 0.116 4.482 4.350 0.027 0.000 0.200 641 E C -0.855 175.572 176.600 -0.288 0.000 1.016 641 E CA -0.126 56.090 56.400 -0.307 0.000 0.921 641 E CB 0.334 29.838 29.700 -0.326 0.000 1.034 641 E HN 0.676 nan 8.360 nan 0.000 0.468 642 Y N 0.442 120.616 120.300 -0.210 0.000 2.411 642 Y HA 0.025 4.591 4.550 0.027 0.000 0.333 642 Y C 1.389 177.109 175.900 -0.300 0.000 1.186 642 Y CA -0.044 57.928 58.100 -0.215 0.000 1.381 642 Y CB 0.803 39.120 38.460 -0.238 0.000 1.273 642 Y HN -0.005 nan 8.280 nan 0.000 0.546 643 L N 1.759 122.785 121.223 -0.328 0.000 2.463 643 L HA 0.070 4.426 4.340 0.027 0.000 0.219 643 L C 0.655 177.069 176.870 -0.760 0.000 1.088 643 L CA 0.540 54.951 54.840 -0.716 0.000 0.849 643 L CB 0.049 41.332 42.059 -1.293 0.000 1.012 643 L HN 0.654 nan 8.230 nan 0.000 0.468 644 F N -0.339 119.620 119.950 0.014 0.000 2.667 644 F HA 0.216 4.758 4.527 0.025 0.000 0.288 644 F C 1.300 177.088 175.800 -0.020 0.000 1.086 644 F CA -0.747 57.239 58.000 -0.022 0.000 1.297 644 F CB 0.379 39.348 39.000 -0.051 0.000 1.059 644 F HN -0.120 nan 8.300 nan 0.000 0.624 645 R N -0.162 120.382 120.500 0.074 0.000 2.720 645 R HA 0.429 4.785 4.340 0.027 0.000 0.272 645 R C -0.670 175.636 176.300 0.011 0.000 0.991 645 R CA -0.683 55.429 56.100 0.020 0.000 1.010 645 R CB 0.864 31.076 30.300 -0.148 0.000 1.141 645 R HN 0.061 nan 8.270 nan 0.000 0.494 646 H N 0.315 119.380 119.070 -0.008 0.000 2.505 646 H HA 0.064 4.636 4.556 0.027 0.000 0.355 646 H C 0.124 175.480 175.328 0.047 0.000 1.179 646 H CA 0.165 56.238 56.048 0.041 0.000 1.343 646 H CB 1.690 31.479 29.762 0.045 0.000 1.501 646 H HN 0.756 nan 8.280 nan 0.000 0.569 647 S N 1.146 116.984 115.700 0.230 0.000 4.120 647 S HA -0.065 4.421 4.470 0.027 0.000 0.215 647 S C 0.435 175.141 174.600 0.177 0.000 1.347 647 S CA -0.589 57.768 58.200 0.262 0.000 0.889 647 S CB -0.722 62.684 63.200 0.344 0.000 1.585 647 S HN 0.599 nan 8.310 nan 0.000 0.447 648 D N 0.958 121.435 120.400 0.128 0.000 2.336 648 D HA 0.045 4.701 4.640 0.027 0.000 0.228 648 D C 0.299 176.638 176.300 0.064 0.000 1.120 648 D CA -0.290 53.764 54.000 0.090 0.000 0.839 648 D CB -0.364 40.478 40.800 0.071 0.000 0.932 648 D HN 0.518 nan 8.370 nan 0.000 0.509 649 N N 0.026 118.771 118.700 0.075 0.000 2.620 649 N HA 0.138 4.894 4.740 0.027 0.000 0.277 649 N C -1.600 173.958 175.510 0.079 0.000 1.726 649 N CA -0.205 52.881 53.050 0.060 0.000 0.840 649 N CB 0.326 38.838 38.487 0.042 0.000 1.379 649 N HN -0.055 nan 8.380 nan 0.000 0.506 650 E N -0.105 120.138 120.200 0.071 0.000 2.321 650 E HA 0.541 4.907 4.350 0.027 0.000 0.278 650 E C -1.477 175.142 176.600 0.031 0.000 0.902 650 E CA -0.748 55.678 56.400 0.043 0.000 0.758 650 E CB 1.992 31.691 29.700 -0.001 0.000 1.213 650 E HN 0.277 nan 8.360 nan 0.000 0.426 651 L N -0.042 121.199 121.223 0.030 0.000 2.371 651 L HA 0.738 5.094 4.340 0.027 0.000 0.262 651 L C -1.519 175.410 176.870 0.098 0.000 1.006 651 L CA -1.059 53.828 54.840 0.080 0.000 0.818 651 L CB 0.975 43.114 42.059 0.133 0.000 1.354 651 L HN 0.504 nan 8.230 nan 0.000 0.415 652 L N 2.107 123.430 121.223 0.167 0.000 2.282 652 L HA 0.608 4.964 4.340 0.027 0.000 0.288 652 L C -0.929 176.150 176.870 0.348 0.000 1.033 652 L CA 0.167 55.139 54.840 0.221 0.000 0.807 652 L CB 0.442 42.641 42.059 0.233 0.000 1.209 652 L HN 0.605 nan 8.230 nan 0.000 0.423 653 H N 5.143 124.280 119.070 0.111 0.000 2.488 653 H HA 0.476 5.048 4.556 0.027 0.000 0.322 653 H C -1.007 174.393 175.328 0.119 0.000 1.078 653 H CA -0.689 55.382 56.048 0.038 0.000 1.260 653 H CB 0.710 30.456 29.762 -0.026 0.000 1.425 653 H HN 0.602 nan 8.280 nan 0.000 0.471 654 W N 3.797 125.177 121.300 0.133 0.000 2.761 654 W HA 0.592 5.268 4.660 0.027 0.000 0.340 654 W C -1.364 175.199 176.519 0.074 0.000 1.072 654 W CA -1.455 55.951 57.345 0.102 0.000 1.215 654 W CB 1.241 30.746 29.460 0.075 0.000 1.420 654 W HN 0.588 nan 8.180 nan 0.000 0.519 655 M N 3.008 122.794 119.600 0.311 0.000 2.378 655 M HA 0.644 5.140 4.480 0.027 0.000 0.289 655 M C -2.555 173.943 176.300 0.330 0.000 1.136 655 M CA -0.531 54.859 55.300 0.149 0.000 0.917 655 M CB 2.104 34.704 32.600 -0.001 0.000 1.669 655 M HN 0.136 nan 8.290 nan 0.000 0.461 656 V N 3.700 123.807 119.914 0.322 0.000 2.417 656 V HA 1.002 5.138 4.120 0.027 0.000 0.291 656 V C -0.297 175.909 176.094 0.187 0.000 1.024 656 V CA -0.164 62.310 62.300 0.291 0.000 0.861 656 V CB 1.170 33.177 31.823 0.306 0.000 0.985 656 V HN 1.105 nan 8.190 nan 0.000 0.436 657 A N 4.587 127.523 122.820 0.193 0.000 2.435 657 A HA 0.891 5.228 4.320 0.027 0.000 0.304 657 A C -1.381 176.314 177.584 0.185 0.000 1.064 657 A CA -0.636 51.482 52.037 0.135 0.000 0.727 657 A CB 1.726 20.764 19.000 0.064 0.000 1.284 657 A HN 0.873 nan 8.150 nan 0.000 0.415 658 L N 1.407 122.711 121.223 0.136 0.000 2.276 658 L HA 0.539 4.895 4.340 0.027 0.000 0.286 658 L C -0.528 176.435 176.870 0.154 0.000 1.024 658 L CA 0.256 55.187 54.840 0.151 0.000 0.826 658 L CB 0.328 42.446 42.059 0.099 0.000 1.211 658 L HN 0.757 nan 8.230 nan 0.000 0.422 659 D N 4.663 125.214 120.400 0.252 0.000 2.701 659 D HA -0.216 4.440 4.640 0.027 0.000 0.235 659 D C 1.167 177.531 176.300 0.108 0.000 1.155 659 D CA 1.568 55.723 54.000 0.259 0.000 0.649 659 D CB -1.082 39.837 40.800 0.197 0.000 1.050 659 D HN 1.204 nan 8.370 nan 0.000 0.425 660 G N -0.864 107.964 108.800 0.046 0.000 2.199 660 G HA2 -0.374 3.602 3.960 0.027 0.000 0.254 660 G HA3 -0.374 3.602 3.960 0.027 0.000 0.254 660 G C 0.292 175.128 174.900 -0.107 0.000 0.982 660 G CA 0.465 45.481 45.100 -0.141 0.000 0.632 660 G HN 0.474 nan 8.290 nan 0.000 0.529 661 K N 2.141 122.525 120.400 -0.026 0.000 2.267 661 K HA 0.431 4.767 4.320 0.027 0.000 0.282 661 K C -2.457 174.140 176.600 -0.005 0.000 1.078 661 K CA -1.754 54.519 56.287 -0.023 0.000 0.903 661 K CB 1.498 34.000 32.500 0.003 0.000 1.111 661 K HN 0.085 nan 8.250 nan 0.000 0.475 662 P HA -0.051 nan 4.420 nan 0.000 0.270 662 P C 0.056 177.357 177.300 0.003 0.000 1.242 662 P CA -0.039 63.049 63.100 -0.019 0.000 0.768 662 P CB 0.733 32.399 31.700 -0.056 0.000 0.820 663 L N 2.316 123.561 121.223 0.037 0.000 2.316 663 L HA 0.388 4.744 4.340 0.027 0.000 0.207 663 L C 0.790 177.695 176.870 0.057 0.000 1.070 663 L CA 0.962 55.834 54.840 0.053 0.000 0.820 663 L CB -0.098 42.013 42.059 0.088 0.000 0.992 663 L HN 0.438 nan 8.230 nan 0.000 0.466 664 A N -1.337 121.522 122.820 0.065 0.000 2.549 664 A HA 0.553 4.889 4.320 0.027 0.000 0.291 664 A C -0.937 176.560 177.584 -0.146 0.000 1.034 664 A CA 0.222 52.280 52.037 0.035 0.000 0.655 664 A CB 1.017 20.163 19.000 0.244 0.000 1.299 664 A HN 0.180 nan 8.150 nan 0.000 0.427 665 S N -1.002 114.351 115.700 -0.579 0.000 2.627 665 S HA 0.927 5.413 4.470 0.027 0.000 0.268 665 S C -0.231 173.418 174.600 -1.586 0.000 1.130 665 S CA 0.020 57.325 58.200 -1.492 0.000 0.819 665 S CB 0.794 63.556 63.200 -0.730 0.000 1.100 665 S HN 2.638 nan 8.310 nan 0.000 0.465 666 G N -0.375 107.154 108.800 -2.118 0.000 2.682 666 G HA2 0.679 4.655 3.960 0.027 0.000 0.303 666 G HA3 0.679 4.655 3.960 0.027 0.000 0.303 666 G C -2.176 172.309 174.900 -0.690 0.000 1.341 666 G CA -0.731 43.790 45.100 -0.965 0.000 0.784 666 G HN 0.779 nan 8.290 nan 0.000 0.497 667 E N -1.251 118.811 120.200 -0.230 0.000 2.293 667 E HA 0.616 4.982 4.350 0.027 0.000 0.270 667 E C -1.350 175.328 176.600 0.131 0.000 0.879 667 E CA -0.677 55.687 56.400 -0.060 0.000 0.756 667 E CB 3.136 32.740 29.700 -0.161 0.000 1.208 667 E HN 0.283 nan 8.360 nan 0.000 0.428 668 V N 3.312 123.345 119.914 0.199 0.000 2.760 668 V HA 0.394 4.530 4.120 0.027 0.000 0.309 668 V C -2.458 173.723 176.094 0.145 0.000 1.077 668 V CA -2.099 60.306 62.300 0.173 0.000 0.910 668 V CB 2.076 34.024 31.823 0.208 0.000 1.008 668 V HN 0.574 nan 8.190 nan 0.000 0.424 669 P HA 0.287 nan 4.420 nan 0.000 0.271 669 P C -0.867 176.490 177.300 0.094 0.000 1.216 669 P CA -0.023 63.134 63.100 0.095 0.000 0.776 669 P CB 0.568 32.316 31.700 0.080 0.000 0.881 670 L N 3.342 124.614 121.223 0.081 0.000 2.282 670 L HA 0.359 4.715 4.340 0.027 0.000 0.288 670 L C 0.196 177.127 176.870 0.102 0.000 1.033 670 L CA -0.145 54.740 54.840 0.074 0.000 0.807 670 L CB 1.230 43.288 42.059 -0.001 0.000 1.209 670 L HN 0.318 nan 8.230 nan 0.000 0.423 671 D N 3.743 124.216 120.400 0.123 0.000 2.443 671 D HA 0.320 4.976 4.640 0.027 0.000 0.281 671 D C -1.209 175.199 176.300 0.181 0.000 1.210 671 D CA -0.196 53.902 54.000 0.163 0.000 0.875 671 D CB 0.992 41.875 40.800 0.137 0.000 1.125 671 D HN 0.049 nan 8.370 nan 0.000 0.503 672 V N 1.371 121.394 119.914 0.181 0.000 2.495 672 V HA 0.854 4.990 4.120 0.027 0.000 0.298 672 V C 0.912 176.938 176.094 -0.113 0.000 1.031 672 V CA -1.217 61.147 62.300 0.105 0.000 0.871 672 V CB 1.143 33.085 31.823 0.197 0.000 0.988 672 V HN 0.551 nan 8.190 nan 0.000 0.432 673 A N 6.597 129.231 122.820 -0.309 0.000 2.313 673 A HA 0.711 5.047 4.320 0.027 0.000 0.261 673 A C -2.288 175.080 177.584 -0.359 0.000 1.090 673 A CA -1.496 50.041 52.037 -0.834 0.000 0.807 673 A CB -0.117 18.636 19.000 -0.412 0.000 1.055 673 A HN 0.692 nan 8.150 nan 0.000 0.492 674 P HA 0.065 nan 4.420 nan 0.000 0.267 674 P C -0.466 176.762 177.300 -0.120 0.000 1.205 674 P CA 0.553 63.572 63.100 -0.136 0.000 0.765 674 P CB 0.859 32.492 31.700 -0.110 0.000 0.828 675 Q N -0.915 118.821 119.800 -0.106 0.000 2.342 675 Q HA -0.144 4.212 4.340 0.027 0.000 0.196 675 Q C 0.781 176.742 176.000 -0.066 0.000 0.629 675 Q CA 1.888 57.634 55.803 -0.095 0.000 1.365 675 Q CB -2.483 26.198 28.738 -0.094 0.000 1.406 675 Q HN 0.746 nan 8.270 nan 0.000 0.840 676 G N 0.276 109.040 108.800 -0.061 0.000 2.537 676 G HA2 0.562 4.538 3.960 0.027 0.000 0.297 676 G HA3 0.562 4.538 3.960 0.027 0.000 0.297 676 G C -0.225 174.675 174.900 0.000 0.000 1.310 676 G CA -0.475 44.608 45.100 -0.030 0.000 1.027 676 G HN -0.016 nan 8.290 nan 0.000 0.505 677 K N -0.848 119.563 120.400 0.019 0.000 2.395 677 K HA 0.490 4.826 4.320 0.027 0.000 0.247 677 K C -0.950 175.684 176.600 0.057 0.000 0.973 677 K CA -0.618 55.692 56.287 0.040 0.000 0.828 677 K CB 2.551 35.069 32.500 0.030 0.000 1.272 677 K HN 0.515 nan 8.250 nan 0.000 0.439 678 Q N 1.911 121.756 119.800 0.075 0.000 2.359 678 Q HA 0.447 4.803 4.340 0.027 0.000 0.274 678 Q C -1.681 174.363 176.000 0.072 0.000 1.074 678 Q CA -0.683 55.167 55.803 0.079 0.000 0.810 678 Q CB 1.599 30.396 28.738 0.100 0.000 1.342 678 Q HN 0.494 nan 8.270 nan 0.000 0.427 679 L N 4.766 126.021 121.223 0.054 0.000 2.307 679 L HA 0.596 4.952 4.340 0.027 0.000 0.284 679 L C -0.678 176.209 176.870 0.028 0.000 1.023 679 L CA -0.680 54.181 54.840 0.034 0.000 0.810 679 L CB 1.448 43.516 42.059 0.016 0.000 1.231 679 L HN 0.607 nan 8.230 nan 0.000 0.423 680 I N 2.771 123.348 120.570 0.012 0.000 2.498 680 I HA 0.297 4.483 4.170 0.027 0.000 0.290 680 I C -0.314 175.764 176.117 -0.064 0.000 1.032 680 I CA -0.485 60.814 61.300 -0.002 0.000 1.073 680 I CB 2.525 40.539 38.000 0.023 0.000 1.251 680 I HN 0.564 nan 8.210 nan 0.000 0.426 681 E N 6.246 126.403 120.200 -0.072 0.000 2.175 681 E HA 0.485 4.851 4.350 0.027 0.000 0.278 681 E C -1.109 175.370 176.600 -0.201 0.000 0.969 681 E CA -0.762 55.563 56.400 -0.124 0.000 0.796 681 E CB 1.808 31.454 29.700 -0.089 0.000 1.104 681 E HN 0.423 nan 8.360 nan 0.000 0.395 682 L N 4.720 125.760 121.223 -0.304 0.000 2.395 682 L HA 0.321 4.678 4.340 0.027 0.000 0.269 682 L C -1.990 174.703 176.870 -0.295 0.000 1.133 682 L CA -1.970 52.591 54.840 -0.465 0.000 0.812 682 L CB -0.020 41.593 42.059 -0.744 0.000 1.125 682 L HN 0.300 nan 8.230 nan 0.000 0.452 683 P HA -0.032 nan 4.420 nan 0.000 0.269 683 P C -0.469 176.767 177.300 -0.106 0.000 1.215 683 P CA -0.323 62.712 63.100 -0.107 0.000 0.780 683 P CB 0.378 32.082 31.700 0.007 0.000 0.898 684 E N 2.525 122.693 120.200 -0.055 0.000 2.529 684 E HA -0.038 4.328 4.350 0.027 0.000 0.259 684 E C -1.160 175.429 176.600 -0.020 0.000 0.966 684 E CA 0.305 56.679 56.400 -0.043 0.000 0.937 684 E CB 0.008 29.694 29.700 -0.024 0.000 0.923 684 E HN 0.266 nan 8.360 nan 0.000 0.468 685 L N 7.008 128.216 121.223 -0.025 0.000 2.313 685 L HA 0.407 4.763 4.340 0.027 0.000 0.283 685 L C -1.863 175.015 176.870 0.013 0.000 1.013 685 L CA -2.071 52.776 54.840 0.012 0.000 0.816 685 L CB 1.261 43.334 42.059 0.023 0.000 1.236 685 L HN 0.530 nan 8.230 nan 0.000 0.419 686 P HA -0.021 nan 4.420 nan 0.000 0.269 686 P C -0.916 176.398 177.300 0.023 0.000 1.205 686 P CA -0.320 62.794 63.100 0.024 0.000 0.780 686 P CB 0.555 32.276 31.700 0.033 0.000 0.858 687 Q N 1.707 121.517 119.800 0.017 0.000 2.267 687 Q HA 0.300 4.656 4.340 0.027 0.000 0.255 687 Q C -1.800 174.213 176.000 0.022 0.000 0.923 687 Q CA -1.454 54.358 55.803 0.016 0.000 0.925 687 Q CB -0.096 28.647 28.738 0.009 0.000 1.195 687 Q HN 0.373 nan 8.270 nan 0.000 0.417 688 P HA -0.125 nan 4.420 nan 0.000 0.267 688 P C -0.397 176.919 177.300 0.027 0.000 1.195 688 P CA 0.246 63.365 63.100 0.032 0.000 0.773 688 P CB 0.710 32.431 31.700 0.035 0.000 0.837 689 E N 0.045 120.262 120.200 0.028 0.000 2.533 689 E HA -0.002 4.364 4.350 0.027 0.000 0.201 689 E C 0.555 177.170 176.600 0.025 0.000 1.097 689 E CA 0.630 57.045 56.400 0.024 0.000 0.887 689 E CB -0.096 29.617 29.700 0.022 0.000 0.855 689 E HN 0.666 nan 8.360 nan 0.000 0.540 690 S N -1.528 114.189 115.700 0.028 0.000 2.705 690 S HA 0.219 4.705 4.470 0.027 0.000 0.285 690 S C -0.607 174.012 174.600 0.033 0.000 1.163 690 S CA -0.512 57.705 58.200 0.028 0.000 1.240 690 S CB 0.055 63.274 63.200 0.031 0.000 1.250 690 S HN 0.155 nan 8.310 nan 0.000 0.426 691 A N 0.491 123.332 122.820 0.035 0.000 2.520 691 A HA 0.657 4.993 4.320 0.027 0.000 0.235 691 A C 1.141 178.755 177.584 0.051 0.000 1.065 691 A CA 0.996 53.056 52.037 0.039 0.000 0.764 691 A CB -1.017 18.008 19.000 0.041 0.000 1.002 691 A HN 2.674 nan 8.150 nan 0.000 0.502 692 G N -0.088 108.741 108.800 0.049 0.000 2.359 692 G HA2 0.460 4.436 3.960 0.027 0.000 0.303 692 G HA3 0.460 4.436 3.960 0.027 0.000 0.303 692 G C -1.111 173.815 174.900 0.044 0.000 1.293 692 G CA -0.100 45.040 45.100 0.067 0.000 0.964 692 G HN 1.298 nan 8.290 nan 0.000 0.531 693 Q N -0.302 119.538 119.800 0.067 0.000 2.322 693 Q HA 0.746 5.103 4.340 0.027 0.000 0.265 693 Q C -0.558 175.474 176.000 0.053 0.000 0.985 693 Q CA -0.628 55.163 55.803 -0.020 0.000 0.849 693 Q CB 1.389 30.069 28.738 -0.096 0.000 1.274 693 Q HN 0.611 nan 8.270 nan 0.000 0.449 694 L N 3.860 125.067 121.223 -0.027 0.000 2.350 694 L HA 0.538 4.894 4.340 0.027 0.000 0.275 694 L C -0.773 176.087 176.870 -0.018 0.000 1.099 694 L CA -0.458 54.420 54.840 0.065 0.000 0.808 694 L CB 0.820 42.903 42.059 0.040 0.000 1.149 694 L HN 0.672 nan 8.230 nan 0.000 0.442 695 W N 3.719 125.058 121.300 0.066 0.000 2.785 695 W HA 0.519 5.194 4.660 0.026 0.000 0.333 695 W C -0.907 175.707 176.519 0.157 0.000 1.062 695 W CA -0.521 56.886 57.345 0.103 0.000 1.233 695 W CB 1.766 31.294 29.460 0.114 0.000 1.413 695 W HN 0.116 nan 8.180 nan 0.000 0.489 696 L N 3.439 124.934 121.223 0.454 0.000 2.296 696 L HA 0.745 5.101 4.340 0.027 0.000 0.286 696 L C -0.344 176.832 176.870 0.509 0.000 1.023 696 L CA 0.144 55.241 54.840 0.429 0.000 0.812 696 L CB 1.248 43.519 42.059 0.352 0.000 1.223 696 L HN 0.318 nan 8.230 nan 0.000 0.421 697 T N 5.184 119.981 114.554 0.404 0.000 2.824 697 T HA 0.673 5.039 4.350 0.027 0.000 0.282 697 T C -0.769 174.117 174.700 0.309 0.000 0.993 697 T CA -0.447 61.843 62.100 0.318 0.000 0.967 697 T CB 1.478 70.471 68.868 0.208 0.000 0.960 697 T HN 0.606 nan 8.240 nan 0.000 0.441 698 V N 1.602 121.669 119.914 0.255 0.000 2.735 698 V HA 0.836 4.972 4.120 0.027 0.000 0.310 698 V C -0.899 175.271 176.094 0.126 0.000 1.061 698 V CA -1.188 61.231 62.300 0.200 0.000 0.913 698 V CB 2.001 33.910 31.823 0.143 0.000 1.005 698 V HN 0.822 nan 8.190 nan 0.000 0.428 699 R N 2.452 123.045 120.500 0.155 0.000 2.628 699 R HA 0.742 5.099 4.340 0.027 0.000 0.288 699 R C -1.537 174.846 176.300 0.138 0.000 0.980 699 R CA -0.789 55.415 56.100 0.173 0.000 0.891 699 R CB 2.675 33.035 30.300 0.101 0.000 1.188 699 R HN 0.689 nan 8.270 nan 0.000 0.450 700 V N 3.896 123.927 119.914 0.195 0.000 2.406 700 V HA 0.261 4.397 4.120 0.027 0.000 0.272 700 V C -0.051 176.069 176.094 0.042 0.000 1.043 700 V CA -0.492 61.872 62.300 0.106 0.000 0.915 700 V CB 1.431 33.314 31.823 0.100 0.000 0.988 700 V HN 0.437 nan 8.190 nan 0.000 0.466 701 V N 5.481 125.355 119.914 -0.066 0.000 2.581 701 V HA 0.397 4.533 4.120 0.027 0.000 0.303 701 V C -0.139 175.944 176.094 -0.017 0.000 1.041 701 V CA -0.761 61.473 62.300 -0.111 0.000 0.907 701 V CB 1.911 33.519 31.823 -0.358 0.000 0.994 701 V HN 0.890 nan 8.190 nan 0.000 0.442 702 Q N 5.413 125.235 119.800 0.038 0.000 2.398 702 Q HA 0.281 4.637 4.340 0.027 0.000 0.251 702 Q C -1.862 174.147 176.000 0.014 0.000 0.999 702 Q CA -1.779 54.057 55.803 0.055 0.000 0.874 702 Q CB 1.839 30.630 28.738 0.089 0.000 1.215 702 Q HN 0.463 nan 8.270 nan 0.000 0.470 703 P HA -0.154 nan 4.420 nan 0.000 0.217 703 P C -0.485 176.812 177.300 -0.004 0.000 1.151 703 P CA 1.105 64.211 63.100 0.011 0.000 0.828 703 P CB 0.377 32.094 31.700 0.028 0.000 0.788 704 N N -0.602 118.089 118.700 -0.016 0.000 2.443 704 N HA 0.448 5.204 4.740 0.027 0.000 0.295 704 N C -0.362 175.098 175.510 -0.083 0.000 1.076 704 N CA -0.692 52.335 53.050 -0.038 0.000 0.919 704 N CB 1.043 39.513 38.487 -0.028 0.000 1.176 704 N HN -0.068 nan 8.380 nan 0.000 0.487 705 A N 0.902 123.667 122.820 -0.091 0.000 2.425 705 A HA 0.398 4.734 4.320 0.027 0.000 0.242 705 A C 0.577 178.043 177.584 -0.197 0.000 1.077 705 A CA -0.005 51.944 52.037 -0.147 0.000 0.781 705 A CB -0.011 18.927 19.000 -0.103 0.000 1.020 705 A HN 0.691 nan 8.150 nan 0.000 0.494 706 T N -2.550 111.800 114.554 -0.339 0.000 2.858 706 T HA 0.632 4.998 4.350 0.027 0.000 0.285 706 T C 1.016 175.563 174.700 -0.254 0.000 1.052 706 T CA 0.007 61.895 62.100 -0.354 0.000 1.009 706 T CB 1.209 69.660 68.868 -0.696 0.000 1.241 706 T HN 1.339 nan 8.240 nan 0.000 0.542 707 A N 0.030 122.801 122.820 -0.081 0.000 2.070 707 A HA 0.082 4.418 4.320 0.027 0.000 0.220 707 A C 1.631 179.346 177.584 0.219 0.000 1.159 707 A CA 1.143 53.238 52.037 0.098 0.000 0.656 707 A CB -0.866 18.250 19.000 0.192 0.000 0.800 707 A HN 0.928 nan 8.150 nan 0.000 0.453 708 W N -0.517 120.841 121.300 0.097 0.000 2.862 708 W HA 0.448 5.125 4.660 0.028 0.000 0.376 708 W C -0.282 176.196 176.519 -0.068 0.000 1.028 708 W CA 0.406 57.769 57.345 0.031 0.000 1.757 708 W CB -1.111 28.348 29.460 -0.001 0.000 1.128 708 W HN 0.395 nan 8.180 nan 0.000 0.566 709 S N -0.345 114.915 115.700 -0.734 0.000 2.570 709 S HA 0.424 4.910 4.470 0.027 0.000 0.270 709 S C -0.845 173.525 174.600 -0.383 0.000 1.149 709 S CA -0.757 57.043 58.200 -0.667 0.000 0.837 709 S CB 2.819 65.240 63.200 -1.299 0.000 1.124 709 S HN 0.080 nan 8.310 nan 0.000 0.465 710 E N 0.490 120.571 120.200 -0.197 0.000 2.318 710 E HA 0.555 4.921 4.350 0.027 0.000 0.265 710 E C 0.345 176.901 176.600 -0.073 0.000 1.069 710 E CA -0.585 55.758 56.400 -0.096 0.000 0.893 710 E CB 1.586 31.275 29.700 -0.019 0.000 1.076 710 E HN 0.875 nan 8.360 nan 0.000 0.414 711 A N 0.327 123.116 122.820 -0.052 0.000 2.531 711 A HA 0.368 4.704 4.320 0.027 0.000 0.236 711 A C 1.131 178.715 177.584 -0.001 0.000 1.062 711 A CA 0.905 52.923 52.037 -0.031 0.000 0.760 711 A CB -0.280 18.708 19.000 -0.021 0.000 0.995 711 A HN 0.782 nan 8.150 nan 0.000 0.501 712 G N 0.252 109.055 108.800 0.005 0.000 2.176 712 G HA2 -0.257 3.719 3.960 0.027 0.000 0.253 712 G HA3 -0.257 3.719 3.960 0.027 0.000 0.253 712 G C 0.303 175.214 174.900 0.019 0.000 0.979 712 G CA 0.751 45.851 45.100 -0.000 0.000 0.641 712 G HN 1.776 nan 8.290 nan 0.000 0.530 713 H N 0.682 119.731 119.070 -0.036 0.000 3.064 713 H HA 0.390 4.962 4.556 0.027 0.000 0.329 713 H C 0.681 176.040 175.328 0.053 0.000 1.020 713 H CA 0.613 56.665 56.048 0.007 0.000 1.402 713 H CB 0.146 29.893 29.762 -0.026 0.000 1.379 713 H HN 0.321 nan 8.280 nan 0.000 0.594 714 I N 4.432 124.713 120.570 -0.483 0.000 2.321 714 I HA 0.056 4.242 4.170 0.027 0.000 0.291 714 I C 0.835 176.772 176.117 -0.300 0.000 0.998 714 I CA 0.039 61.180 61.300 -0.264 0.000 1.227 714 I CB 1.537 39.457 38.000 -0.132 0.000 1.368 714 I HN 0.783 nan 8.210 nan 0.000 0.466 715 S N 4.205 119.954 115.700 0.082 0.000 2.512 715 S HA 0.573 5.059 4.470 0.027 0.000 0.216 715 S C 0.401 175.263 174.600 0.436 0.000 1.006 715 S CA -0.030 58.369 58.200 0.331 0.000 0.915 715 S CB 0.626 64.142 63.200 0.527 0.000 0.824 715 S HN 0.691 nan 8.310 nan 0.000 0.497 716 A N 0.497 123.604 122.820 0.478 0.000 2.605 716 A HA 0.676 5.012 4.320 0.027 0.000 0.294 716 A C -1.805 176.133 177.584 0.590 0.000 1.062 716 A CA -0.854 51.454 52.037 0.452 0.000 0.682 716 A CB 0.423 19.750 19.000 0.544 0.000 1.278 716 A HN 0.975 nan 8.150 nan 0.000 0.410 717 W N -0.126 121.345 121.300 0.285 0.000 3.059 717 W HA 0.789 5.466 4.660 0.028 0.000 0.329 717 W C -1.261 175.293 176.519 0.059 0.000 1.246 717 W CA -0.574 56.818 57.345 0.079 0.000 1.190 717 W CB 1.145 30.615 29.460 0.018 0.000 1.423 717 W HN 1.032 nan 8.180 nan 0.000 0.571 718 Q N 1.107 120.926 119.800 0.031 0.000 2.527 718 Q HA 0.447 4.803 4.340 0.027 0.000 0.280 718 Q C -1.592 174.222 176.000 -0.310 0.000 0.977 718 Q CA -0.431 55.230 55.803 -0.237 0.000 0.837 718 Q CB 2.390 30.790 28.738 -0.564 0.000 1.454 718 Q HN 0.640 nan 8.270 nan 0.000 0.387 719 Q N 1.193 120.750 119.800 -0.405 0.000 2.484 719 Q HA 0.675 5.032 4.340 0.027 0.000 0.285 719 Q C -1.155 174.694 176.000 -0.252 0.000 1.097 719 Q CA -0.746 55.013 55.803 -0.073 0.000 0.802 719 Q CB 2.393 31.292 28.738 0.268 0.000 1.444 719 Q HN 0.614 nan 8.270 nan 0.000 0.429 720 W N 0.506 121.965 121.300 0.264 0.000 3.118 720 W HA 0.448 5.124 4.660 0.026 0.000 0.328 720 W C -0.512 175.946 176.519 -0.101 0.000 1.239 720 W CA -0.672 56.736 57.345 0.105 0.000 1.176 720 W CB 1.673 31.152 29.460 0.032 0.000 1.433 720 W HN 0.419 nan 8.180 nan 0.000 0.562 721 R N 1.627 121.996 120.500 -0.218 0.000 2.390 721 R HA 0.447 4.803 4.340 0.027 0.000 0.291 721 R C 0.491 176.636 176.300 -0.258 0.000 1.070 721 R CA -0.176 55.522 56.100 -0.669 0.000 1.014 721 R CB 1.139 30.985 30.300 -0.757 0.000 1.007 721 R HN 0.287 nan 8.270 nan 0.000 0.466 722 L N 1.312 122.393 121.223 -0.236 0.000 2.719 722 L HA 0.506 4.862 4.340 0.027 0.000 0.182 722 L C 0.647 177.429 176.870 -0.146 0.000 1.940 722 L CA -0.891 53.872 54.840 -0.127 0.000 2.839 722 L CB -0.175 41.847 42.059 -0.060 0.000 2.949 722 L HN 0.581 nan 8.230 nan 0.000 0.669 723 A N 0.282 123.043 122.820 -0.097 0.000 2.407 723 A HA 0.260 4.597 4.320 0.027 0.000 0.248 723 A C -0.369 177.159 177.584 -0.093 0.000 1.082 723 A CA 0.108 52.095 52.037 -0.083 0.000 0.785 723 A CB 0.283 19.252 19.000 -0.051 0.000 1.020 723 A HN 0.590 nan 8.150 nan 0.000 0.489 724 E N 1.097 121.248 120.200 -0.082 0.000 2.222 724 E HA 0.324 4.691 4.350 0.027 0.000 0.267 724 E C -1.376 175.206 176.600 -0.031 0.000 0.884 724 E CA -0.704 55.656 56.400 -0.067 0.000 0.764 724 E CB 0.897 30.547 29.700 -0.083 0.000 1.169 724 E HN 0.668 nan 8.360 nan 0.000 0.413 725 N N 4.967 123.661 118.700 -0.010 0.000 2.564 725 N HA 0.264 5.020 4.740 0.027 0.000 0.248 725 N C -0.713 174.804 175.510 0.013 0.000 0.986 725 N CA -0.341 52.711 53.050 0.003 0.000 0.921 725 N CB 1.109 39.602 38.487 0.011 0.000 1.136 725 N HN 0.475 nan 8.380 nan 0.000 0.509 726 L N 0.815 122.045 121.223 0.012 0.000 2.453 726 L HA 0.111 4.468 4.340 0.027 0.000 0.272 726 L C 1.314 178.201 176.870 0.028 0.000 1.182 726 L CA 0.059 54.913 54.840 0.022 0.000 0.858 726 L CB 0.459 42.530 42.059 0.021 0.000 1.120 726 L HN 0.336 nan 8.230 nan 0.000 0.474 727 S N 1.788 117.510 115.700 0.037 0.000 2.488 727 S HA 0.201 4.688 4.470 0.027 0.000 0.278 727 S C 0.720 175.340 174.600 0.034 0.000 1.259 727 S CA -0.755 57.467 58.200 0.037 0.000 1.061 727 S CB 0.664 63.891 63.200 0.046 0.000 0.910 727 S HN 0.481 nan 8.310 nan 0.000 0.491 728 V N 2.468 122.399 119.914 0.029 0.000 3.528 728 V HA 0.327 4.464 4.120 0.027 0.000 0.294 728 V C 0.786 176.896 176.094 0.026 0.000 1.404 728 V CA 0.220 62.535 62.300 0.026 0.000 1.065 728 V CB -0.628 31.207 31.823 0.021 0.000 0.904 728 V HN 0.839 nan 8.190 nan 0.000 0.435 729 T N 1.373 115.944 114.554 0.028 0.000 2.856 729 T HA 0.654 5.020 4.350 0.027 0.000 0.292 729 T C -0.094 174.625 174.700 0.030 0.000 0.980 729 T CA -0.553 61.564 62.100 0.028 0.000 1.091 729 T CB 1.188 70.072 68.868 0.027 0.000 0.936 729 T HN 0.448 nan 8.240 nan 0.000 0.503 730 L N 2.956 124.195 121.223 0.028 0.000 2.410 730 L HA 0.426 4.782 4.340 0.027 0.000 0.273 730 L C -1.987 174.901 176.870 0.030 0.000 1.144 730 L CA -1.881 52.976 54.840 0.028 0.000 0.863 730 L CB -0.986 41.088 42.059 0.025 0.000 1.140 730 L HN 0.450 nan 8.230 nan 0.000 0.463 731 P HA 0.193 nan 4.420 nan 0.000 0.271 731 P C -0.201 177.117 177.300 0.030 0.000 1.220 731 P CA -0.347 62.772 63.100 0.031 0.000 0.768 731 P CB 0.949 32.667 31.700 0.030 0.000 0.848 732 A N 3.309 126.149 122.820 0.034 0.000 2.558 732 A HA 0.294 4.631 4.320 0.027 0.000 0.262 732 A C 0.876 178.477 177.584 0.029 0.000 1.049 732 A CA 0.187 52.251 52.037 0.045 0.000 0.804 732 A CB -0.887 18.148 19.000 0.059 0.000 0.957 732 A HN 0.677 nan 8.150 nan 0.000 0.520 733 A N 4.568 127.414 122.820 0.043 0.000 2.522 733 A HA 0.458 4.795 4.320 0.027 0.000 0.256 733 A C 1.015 178.619 177.584 0.032 0.000 1.086 733 A CA 0.197 52.255 52.037 0.035 0.000 0.763 733 A CB -0.471 18.555 19.000 0.044 0.000 1.024 733 A HN 1.480 nan 8.150 nan 0.000 0.502 734 S N 2.427 118.108 115.700 -0.031 0.000 2.715 734 S HA -0.081 4.405 4.470 0.027 0.000 0.318 734 S C 0.402 174.984 174.600 -0.029 0.000 1.242 734 S CA 0.789 58.925 58.200 -0.106 0.000 1.044 734 S CB -0.298 62.864 63.200 -0.063 0.000 0.760 734 S HN 0.804 nan 8.310 nan 0.000 0.501 735 H N 0.286 119.370 119.070 0.024 0.000 2.566 735 H HA 0.540 5.112 4.556 0.027 0.000 0.280 735 H C 0.533 175.875 175.328 0.024 0.000 1.042 735 H CA 0.149 56.209 56.048 0.021 0.000 1.168 735 H CB -0.117 29.656 29.762 0.018 0.000 1.340 735 H HN 0.721 nan 8.280 nan 0.000 0.597 736 A N 1.111 123.963 122.820 0.054 0.000 2.599 736 A HA 0.562 4.898 4.320 0.027 0.000 0.290 736 A C -1.586 176.019 177.584 0.034 0.000 1.101 736 A CA -0.891 51.175 52.037 0.049 0.000 0.674 736 A CB 1.202 20.231 19.000 0.048 0.000 1.277 736 A HN 0.271 nan 8.150 nan 0.000 0.419 737 I N -0.341 120.255 120.570 0.044 0.000 2.582 737 I HA 0.778 4.964 4.170 0.027 0.000 0.292 737 I C -2.890 173.262 176.117 0.058 0.000 1.066 737 I CA -2.118 59.203 61.300 0.036 0.000 1.053 737 I CB 2.278 40.295 38.000 0.028 0.000 1.241 737 I HN 0.330 nan 8.210 nan 0.000 0.421 738 P HA 0.155 nan 4.420 nan 0.000 0.272 738 P C -1.359 175.996 177.300 0.091 0.000 1.223 738 P CA 0.144 63.292 63.100 0.079 0.000 0.784 738 P CB 0.324 32.033 31.700 0.016 0.000 0.923 739 H N 2.325 121.425 119.070 0.050 0.000 2.459 739 H HA 0.410 4.982 4.556 0.027 0.000 0.332 739 H C -1.146 174.213 175.328 0.050 0.000 1.094 739 H CA -0.817 55.253 56.048 0.037 0.000 1.224 739 H CB 1.146 30.930 29.762 0.036 0.000 1.449 739 H HN 0.234 nan 8.280 nan 0.000 0.484 740 L N 4.552 125.391 121.223 -0.640 0.000 2.309 740 L HA 0.353 4.710 4.340 0.027 0.000 0.282 740 L C -0.691 175.989 176.870 -0.317 0.000 1.036 740 L CA -0.077 54.563 54.840 -0.333 0.000 0.806 740 L CB 1.692 43.593 42.059 -0.264 0.000 1.220 740 L HN 0.568 nan 8.230 nan 0.000 0.429 741 T N 2.854 117.408 114.554 0.000 0.000 2.824 741 T HA 0.507 4.873 4.350 0.027 0.000 0.282 741 T C -0.561 174.237 174.700 0.165 0.000 0.993 741 T CA -0.438 61.722 62.100 0.100 0.000 0.967 741 T CB 1.339 70.299 68.868 0.153 0.000 0.960 741 T HN 0.645 nan 8.240 nan 0.000 0.441 742 T N 3.095 117.749 114.554 0.168 0.000 2.779 742 T HA 0.665 5.031 4.350 0.027 0.000 0.280 742 T C -0.023 174.741 174.700 0.107 0.000 0.987 742 T CA -0.763 61.480 62.100 0.238 0.000 0.966 742 T CB 0.998 70.042 68.868 0.293 0.000 0.933 742 T HN 0.702 nan 8.240 nan 0.000 0.442 743 S N 1.983 117.705 115.700 0.038 0.000 2.634 743 S HA 0.469 4.955 4.470 0.027 0.000 0.296 743 S C 0.820 175.374 174.600 -0.075 0.000 1.104 743 S CA -1.044 57.153 58.200 -0.005 0.000 0.920 743 S CB 1.782 64.984 63.200 0.004 0.000 1.111 743 S HN 0.555 nan 8.310 nan 0.000 0.493 744 E N 0.351 120.516 120.200 -0.057 0.000 2.110 744 E HA -0.105 4.261 4.350 0.027 0.000 0.193 744 E C 1.111 177.634 176.600 -0.129 0.000 0.988 744 E CA 1.207 57.556 56.400 -0.086 0.000 0.804 744 E CB -0.240 29.432 29.700 -0.047 0.000 0.745 744 E HN 0.522 nan 8.360 nan 0.000 0.458 745 M N 0.436 119.981 119.600 -0.092 0.000 2.476 745 M HA 0.130 4.626 4.480 0.027 0.000 0.262 745 M C -0.224 176.015 176.300 -0.101 0.000 1.111 745 M CA 0.709 55.961 55.300 -0.080 0.000 1.127 745 M CB -0.288 32.296 32.600 -0.027 0.000 1.376 745 M HN -0.146 nan 8.290 nan 0.000 0.465 746 D N -2.040 118.284 120.400 -0.126 0.000 2.599 746 D HA 0.467 5.124 4.640 0.027 0.000 0.252 746 D C -1.473 174.778 176.300 -0.081 0.000 1.232 746 D CA -0.331 53.623 54.000 -0.077 0.000 0.819 746 D CB 1.929 42.762 40.800 0.055 0.000 1.401 746 D HN -0.121 nan 8.370 nan 0.000 0.429 747 F N 0.761 120.788 119.950 0.129 0.000 2.467 747 F HA 0.537 5.080 4.527 0.027 0.000 0.336 747 F C -0.320 175.591 175.800 0.185 0.000 1.123 747 F CA -0.740 57.320 58.000 0.100 0.000 0.964 747 F CB 1.210 40.227 39.000 0.029 0.000 1.136 747 F HN 0.147 nan 8.300 nan 0.000 0.447 748 C N 4.101 123.598 119.300 0.328 0.000 2.493 748 C HA 0.761 5.237 4.460 0.027 0.000 0.326 748 C C -0.518 174.628 174.990 0.260 0.000 1.200 748 C CA -0.810 58.385 59.018 0.295 0.000 1.739 748 C CB 1.280 29.139 27.740 0.199 0.000 2.300 748 C HN 0.507 nan 8.230 nan 0.000 0.500 749 I N 2.036 122.812 120.570 0.344 0.000 2.466 749 I HA 0.477 4.663 4.170 0.027 0.000 0.289 749 I C -0.259 176.124 176.117 0.443 0.000 1.026 749 I CA -0.247 61.257 61.300 0.341 0.000 1.078 749 I CB 1.451 39.638 38.000 0.311 0.000 1.249 749 I HN 0.607 nan 8.210 nan 0.000 0.429 750 E N 4.947 125.345 120.200 0.330 0.000 2.222 750 E HA 0.779 5.145 4.350 0.027 0.000 0.267 750 E C -1.645 175.126 176.600 0.285 0.000 0.884 750 E CA -0.657 55.906 56.400 0.272 0.000 0.764 750 E CB 1.922 31.720 29.700 0.163 0.000 1.169 750 E HN 0.483 nan 8.360 nan 0.000 0.413 751 L N 4.730 126.120 121.223 0.278 0.000 2.617 751 L HA 0.537 4.893 4.340 0.027 0.000 0.259 751 L C 0.183 177.137 176.870 0.139 0.000 0.995 751 L CA 0.732 55.714 54.840 0.236 0.000 0.899 751 L CB 0.944 43.200 42.059 0.328 0.000 1.181 751 L HN 0.696 nan 8.230 nan 0.000 0.437 752 G N 4.250 113.096 108.800 0.077 0.000 2.596 752 G HA2 -0.432 3.544 3.960 0.027 0.000 0.304 752 G HA3 -0.432 3.544 3.960 0.027 0.000 0.304 752 G C 0.591 175.490 174.900 -0.002 0.000 1.189 752 G CA 0.605 45.725 45.100 0.034 0.000 0.986 752 G HN 1.137 nan 8.290 nan 0.000 0.548 753 N N 1.706 120.394 118.700 -0.020 0.000 2.398 753 N HA 0.122 4.878 4.740 0.027 0.000 0.188 753 N C 0.525 175.977 175.510 -0.098 0.000 1.122 753 N CA 1.042 54.060 53.050 -0.053 0.000 0.866 753 N CB 0.194 38.651 38.487 -0.049 0.000 0.970 753 N HN 0.763 nan 8.380 nan 0.000 0.462 754 K N -0.009 120.317 120.400 -0.124 0.000 2.281 754 K HA 0.519 4.855 4.320 0.027 0.000 0.242 754 K C -0.705 175.698 176.600 -0.329 0.000 0.971 754 K CA -0.841 55.254 56.287 -0.321 0.000 0.834 754 K CB 2.425 34.624 32.500 -0.501 0.000 1.181 754 K HN 0.027 nan 8.250 nan 0.000 0.435 755 R N 0.923 121.149 120.500 -0.456 0.000 2.668 755 R HA 0.382 4.738 4.340 0.027 0.000 0.272 755 R C -1.845 174.317 176.300 -0.230 0.000 1.019 755 R CA -0.592 55.420 56.100 -0.147 0.000 0.894 755 R CB 1.386 31.656 30.300 -0.049 0.000 1.228 755 R HN 0.610 nan 8.270 nan 0.000 0.460 756 W N 3.591 124.988 121.300 0.160 0.000 2.683 756 W HA 0.341 5.018 4.660 0.027 0.000 0.329 756 W C -0.854 175.738 176.519 0.122 0.000 1.037 756 W CA -0.670 56.713 57.345 0.064 0.000 1.232 756 W CB 2.239 31.727 29.460 0.046 0.000 1.390 756 W HN 0.530 nan 8.180 nan 0.000 0.465 757 Q N 2.842 122.763 119.800 0.202 0.000 2.322 757 Q HA 0.430 4.786 4.340 0.027 0.000 0.265 757 Q C -1.789 174.170 176.000 -0.070 0.000 0.985 757 Q CA -0.445 55.480 55.803 0.203 0.000 0.849 757 Q CB 1.157 30.091 28.738 0.328 0.000 1.274 757 Q HN 0.357 nan 8.270 nan 0.000 0.449 758 F N 3.294 123.330 119.950 0.143 0.000 2.403 758 F HA 0.268 4.811 4.527 0.027 0.000 0.355 758 F C 0.459 176.298 175.800 0.065 0.000 1.119 758 F CA -0.942 57.109 58.000 0.085 0.000 1.007 758 F CB 1.171 40.216 39.000 0.076 0.000 1.194 758 F HN 0.516 nan 8.300 nan 0.000 0.443 759 N N 3.642 122.451 118.700 0.182 0.000 2.452 759 N HA 0.024 4.780 4.740 0.027 0.000 0.266 759 N C 1.045 176.593 175.510 0.064 0.000 1.209 759 N CA 0.304 53.419 53.050 0.110 0.000 0.929 759 N CB 0.673 39.229 38.487 0.116 0.000 1.063 759 N HN 0.670 nan 8.380 nan 0.000 0.472 760 R N 2.467 122.937 120.500 -0.050 0.000 2.235 760 R HA -0.064 4.292 4.340 0.027 0.000 0.213 760 R C 0.866 177.116 176.300 -0.083 0.000 1.059 760 R CA 0.966 56.979 56.100 -0.146 0.000 0.997 760 R CB 0.261 30.344 30.300 -0.362 0.000 0.884 760 R HN 0.581 nan 8.270 nan 0.000 0.462 761 Q N -0.604 119.177 119.800 -0.032 0.000 2.354 761 Q HA 0.008 4.364 4.340 0.027 0.000 0.203 761 Q C 1.896 177.904 176.000 0.013 0.000 0.933 761 Q CA 1.298 57.090 55.803 -0.018 0.000 0.901 761 Q CB 0.417 29.152 28.738 -0.004 0.000 1.007 761 Q HN 0.267 nan 8.270 nan 0.000 0.495 762 S N -1.919 113.823 115.700 0.070 0.000 2.483 762 S HA 0.305 4.791 4.470 0.027 0.000 0.221 762 S C 1.610 176.234 174.600 0.039 0.000 1.030 762 S CA 0.367 58.658 58.200 0.152 0.000 0.925 762 S CB 0.308 63.703 63.200 0.325 0.000 0.795 762 S HN 0.399 nan 8.310 nan 0.000 0.511 763 G N 0.479 109.282 108.800 0.005 0.000 2.157 763 G HA2 -0.210 3.766 3.960 0.027 0.000 0.248 763 G HA3 -0.210 3.766 3.960 0.027 0.000 0.248 763 G C -0.130 174.742 174.900 -0.046 0.000 0.979 763 G CA 0.165 45.224 45.100 -0.070 0.000 0.650 763 G HN 0.517 nan 8.290 nan 0.000 0.529 764 F N -0.890 119.238 119.950 0.297 0.000 2.507 764 F HA 0.648 5.191 4.527 0.027 0.000 0.327 764 F C 0.579 176.417 175.800 0.063 0.000 1.068 764 F CA -1.336 56.799 58.000 0.225 0.000 0.965 764 F CB 1.514 40.606 39.000 0.153 0.000 1.192 764 F HN 0.012 nan 8.300 nan 0.000 0.476 765 L N 2.496 123.769 121.223 0.084 0.000 2.623 765 L HA 0.112 4.468 4.340 0.027 0.000 0.281 765 L C 1.164 177.929 176.870 -0.175 0.000 1.150 765 L CA 0.443 54.996 54.840 -0.477 0.000 0.965 765 L CB -0.067 41.636 42.059 -0.594 0.000 1.303 765 L HN 0.719 nan 8.230 nan 0.000 0.467 766 S N 2.454 118.073 115.700 -0.135 0.000 2.470 766 S HA 0.138 4.624 4.470 0.027 0.000 0.225 766 S C 0.694 175.186 174.600 -0.180 0.000 1.006 766 S CA 0.172 58.325 58.200 -0.078 0.000 0.934 766 S CB 0.004 63.210 63.200 0.010 0.000 0.778 766 S HN 0.705 nan 8.310 nan 0.000 0.517 767 Q N -0.350 119.291 119.800 -0.266 0.000 2.472 767 Q HA 0.683 5.039 4.340 0.027 0.000 0.281 767 Q C -1.897 173.795 176.000 -0.514 0.000 0.997 767 Q CA -0.310 55.208 55.803 -0.475 0.000 0.828 767 Q CB 1.820 30.127 28.738 -0.717 0.000 1.443 767 Q HN 0.440 nan 8.270 nan 0.000 0.390 768 M N 1.710 120.902 119.600 -0.681 0.000 2.446 768 M HA 0.601 5.097 4.480 0.027 0.000 0.294 768 M C -1.578 174.366 176.300 -0.592 0.000 1.158 768 M CA -0.379 54.581 55.300 -0.566 0.000 0.899 768 M CB 2.074 34.321 32.600 -0.590 0.000 1.687 768 M HN 0.509 nan 8.290 nan 0.000 0.455 769 W N 3.682 124.738 121.300 -0.407 0.000 2.844 769 W HA 0.636 5.313 4.660 0.027 0.000 0.340 769 W C -1.343 174.970 176.519 -0.344 0.000 1.093 769 W CA -0.666 56.500 57.345 -0.298 0.000 1.212 769 W CB 1.683 31.011 29.460 -0.221 0.000 1.422 769 W HN 0.463 nan 8.180 nan 0.000 0.515 770 I N 2.626 123.181 120.570 -0.025 0.000 2.439 770 I HA 0.431 4.617 4.170 0.027 0.000 0.283 770 I C 0.771 176.873 176.117 -0.026 0.000 1.023 770 I CA 0.162 61.410 61.300 -0.087 0.000 1.100 770 I CB 1.217 39.138 38.000 -0.132 0.000 1.238 770 I HN 0.704 nan 8.210 nan 0.000 0.445 771 G N 5.785 114.566 108.800 -0.032 0.000 2.550 771 G HA2 -0.317 3.659 3.960 0.027 0.000 0.277 771 G HA3 -0.317 3.659 3.960 0.027 0.000 0.277 771 G C 0.194 175.105 174.900 0.018 0.000 1.190 771 G CA 0.535 45.623 45.100 -0.021 0.000 0.971 771 G HN 0.794 nan 8.290 nan 0.000 0.559 772 D N 0.492 120.910 120.400 0.030 0.000 2.342 772 D HA 0.223 4.879 4.640 0.027 0.000 0.221 772 D C 0.721 177.125 176.300 0.173 0.000 1.101 772 D CA 0.240 54.290 54.000 0.083 0.000 0.837 772 D CB 0.282 41.102 40.800 0.033 0.000 0.938 772 D HN 0.464 nan 8.370 nan 0.000 0.508 773 K N 1.350 121.822 120.400 0.119 0.000 2.248 773 K HA 0.196 4.532 4.320 0.027 0.000 0.281 773 K C -0.095 176.473 176.600 -0.052 0.000 1.054 773 K CA -0.520 55.792 56.287 0.042 0.000 0.903 773 K CB 1.161 33.650 32.500 -0.018 0.000 1.077 773 K HN -0.037 nan 8.250 nan 0.000 0.474 774 K N 2.567 122.857 120.400 -0.184 0.000 2.401 774 K HA -0.010 4.326 4.320 0.027 0.000 0.278 774 K C 1.048 177.453 176.600 -0.326 0.000 1.018 774 K CA -0.080 55.901 56.287 -0.510 0.000 0.981 774 K CB 0.798 33.000 32.500 -0.496 0.000 0.933 774 K HN 0.405 nan 8.250 nan 0.000 0.477 775 Q N 1.394 120.968 119.800 -0.377 0.000 2.373 775 Q HA 0.149 4.505 4.340 0.027 0.000 0.210 775 Q C 0.178 176.096 176.000 -0.137 0.000 0.913 775 Q CA 0.705 56.411 55.803 -0.161 0.000 0.911 775 Q CB 0.398 29.075 28.738 -0.101 0.000 1.040 775 Q HN 0.505 nan 8.270 nan 0.000 0.521 776 L N 0.824 121.897 121.223 -0.249 0.000 2.334 776 L HA 0.356 4.712 4.340 0.027 0.000 0.276 776 L C 1.107 177.844 176.870 -0.222 0.000 1.014 776 L CA -0.387 54.327 54.840 -0.211 0.000 0.815 776 L CB 1.556 43.484 42.059 -0.219 0.000 1.268 776 L HN -0.062 nan 8.230 nan 0.000 0.428 777 L N 0.812 121.901 121.223 -0.223 0.000 2.298 777 L HA 0.123 4.479 4.340 0.027 0.000 0.209 777 L C 0.827 177.577 176.870 -0.198 0.000 1.084 777 L CA 0.700 55.414 54.840 -0.211 0.000 0.816 777 L CB 0.132 42.048 42.059 -0.238 0.000 0.967 777 L HN 0.785 nan 8.230 nan 0.000 0.460 778 T N -3.325 111.087 114.554 -0.238 0.000 2.916 778 T HA 0.508 4.874 4.350 0.027 0.000 0.305 778 T C -2.880 171.736 174.700 -0.140 0.000 1.119 778 T CA -1.948 60.055 62.100 -0.160 0.000 1.008 778 T CB 2.381 71.161 68.868 -0.146 0.000 1.129 778 T HN -0.319 nan 8.240 nan 0.000 0.480 779 P HA 0.244 nan 4.420 nan 0.000 0.271 779 P C -0.594 176.664 177.300 -0.070 0.000 1.233 779 P CA -0.665 62.393 63.100 -0.070 0.000 0.789 779 P CB 0.287 31.962 31.700 -0.042 0.000 0.951 780 L N 3.184 124.409 121.223 0.003 0.000 2.278 780 L HA 0.304 4.660 4.340 0.027 0.000 0.287 780 L C 0.073 176.931 176.870 -0.020 0.000 1.072 780 L CA 0.516 55.401 54.840 0.076 0.000 0.819 780 L CB -0.468 41.744 42.059 0.256 0.000 1.176 780 L HN 0.288 nan 8.230 nan 0.000 0.435 781 R N 2.621 123.020 120.500 -0.168 0.000 2.837 781 R HA 0.473 4.829 4.340 0.027 0.000 0.271 781 R C -1.036 175.192 176.300 -0.120 0.000 0.993 781 R CA -0.991 54.872 56.100 -0.395 0.000 0.931 781 R CB 1.207 31.069 30.300 -0.729 0.000 1.206 781 R HN 0.548 nan 8.270 nan 0.000 0.474 782 D N 1.211 121.633 120.400 0.036 0.000 2.423 782 D HA 0.039 4.696 4.640 0.027 0.000 0.238 782 D C -0.466 175.469 176.300 -0.609 0.000 1.142 782 D CA 0.440 54.283 54.000 -0.262 0.000 0.884 782 D CB 0.642 41.254 40.800 -0.313 0.000 1.199 782 D HN 0.216 nan 8.370 nan 0.000 0.438 783 Q N 1.277 120.498 119.800 -0.966 0.000 2.305 783 Q HA 0.358 4.714 4.340 0.027 0.000 0.271 783 Q C -1.297 173.938 176.000 -1.277 0.000 1.046 783 Q CA -0.600 54.675 55.803 -0.880 0.000 0.798 783 Q CB 0.825 29.283 28.738 -0.468 0.000 1.286 783 Q HN 0.575 nan 8.270 nan 0.000 0.435 784 F N 0.722 120.288 119.950 -0.639 0.000 2.746 784 F HA 0.194 4.737 4.527 0.027 0.000 0.320 784 F C 0.550 175.914 175.800 -0.727 0.000 1.097 784 F CA -0.216 57.297 58.000 -0.811 0.000 1.195 784 F CB 1.629 39.813 39.000 -1.360 0.000 1.056 784 F HN 0.470 nan 8.300 nan 0.000 0.562 785 T N -0.708 113.534 114.554 -0.520 0.000 2.926 785 T HA 0.785 5.151 4.350 0.027 0.000 0.289 785 T C -0.538 173.916 174.700 -0.410 0.000 1.054 785 T CA -0.932 60.792 62.100 -0.627 0.000 1.015 785 T CB 2.704 71.105 68.868 -0.777 0.000 1.167 785 T HN 0.251 nan 8.240 nan 0.000 0.526 786 R N -0.084 120.228 120.500 -0.313 0.000 2.771 786 R HA 0.773 5.129 4.340 0.027 0.000 0.274 786 R C -0.891 175.465 176.300 0.094 0.000 0.987 786 R CA -1.254 54.787 56.100 -0.099 0.000 0.908 786 R CB 1.534 31.790 30.300 -0.073 0.000 1.213 786 R HN 0.815 nan 8.270 nan 0.000 0.468 787 A N 3.025 125.885 122.820 0.066 0.000 2.491 787 A HA 0.332 4.668 4.320 0.027 0.000 0.261 787 A C -2.100 175.552 177.584 0.114 0.000 1.101 787 A CA -1.428 50.651 52.037 0.071 0.000 0.772 787 A CB -0.391 18.595 19.000 -0.025 0.000 1.043 787 A HN 0.515 nan 8.150 nan 0.000 0.501 788 P HA 0.105 nan 4.420 nan 0.000 0.262 788 P C -0.292 177.132 177.300 0.205 0.000 1.182 788 P CA 0.432 63.694 63.100 0.270 0.000 0.761 788 P CB 0.266 32.149 31.700 0.306 0.000 0.795 789 L N 2.383 123.704 121.223 0.163 0.000 2.468 789 L HA 0.207 4.563 4.340 0.027 0.000 0.254 789 L C 1.710 178.656 176.870 0.127 0.000 1.171 789 L CA -0.528 54.360 54.840 0.080 0.000 0.809 789 L CB 0.038 42.064 42.059 -0.056 0.000 1.155 789 L HN 0.283 nan 8.230 nan 0.000 0.473 790 D N 0.351 120.794 120.400 0.073 0.000 2.133 790 D HA -0.165 4.491 4.640 0.027 0.000 0.195 790 D C 1.653 177.967 176.300 0.023 0.000 0.997 790 D CA 1.484 55.488 54.000 0.007 0.000 0.840 790 D CB -0.058 40.712 40.800 -0.050 0.000 0.947 790 D HN 0.491 nan 8.370 nan 0.000 0.452 791 N N 1.050 119.756 118.700 0.010 0.000 2.364 791 N HA -0.110 4.646 4.740 0.027 0.000 0.183 791 N C 1.112 176.657 175.510 0.057 0.000 1.022 791 N CA 0.697 53.759 53.050 0.020 0.000 0.883 791 N CB -0.142 38.338 38.487 -0.011 0.000 0.965 791 N HN 0.268 nan 8.380 nan 0.000 0.438 792 D N 0.309 120.763 120.400 0.089 0.000 2.234 792 D HA 0.076 4.732 4.640 0.027 0.000 0.205 792 D C 1.970 178.331 176.300 0.101 0.000 0.962 792 D CA 0.243 54.325 54.000 0.138 0.000 0.855 792 D CB 0.163 41.130 40.800 0.278 0.000 0.951 792 D HN 0.297 nan 8.370 nan 0.000 0.500 793 I N 0.376 120.996 120.570 0.084 0.000 2.406 793 I HA -0.020 4.166 4.170 0.027 0.000 0.249 793 I C 1.318 177.438 176.117 0.005 0.000 1.122 793 I CA 0.690 62.015 61.300 0.042 0.000 1.431 793 I CB -0.195 37.814 38.000 0.014 0.000 1.087 793 I HN 0.017 nan 8.210 nan 0.000 0.424 794 G N 2.271 111.081 108.800 0.018 0.000 2.333 794 G HA2 -0.155 3.821 3.960 0.027 0.000 0.296 794 G HA3 -0.155 3.821 3.960 0.027 0.000 0.296 794 G C -0.009 174.901 174.900 0.017 0.000 1.059 794 G CA 0.423 45.534 45.100 0.017 0.000 1.050 794 G HN 0.494 nan 8.290 nan 0.000 0.508 795 V N -2.791 117.128 119.914 0.008 0.000 2.876 795 V HA 0.944 5.080 4.120 0.027 0.000 0.312 795 V C 0.520 176.467 176.094 -0.246 0.000 1.085 795 V CA 0.320 62.562 62.300 -0.096 0.000 0.945 795 V CB 1.972 33.715 31.823 -0.134 0.000 1.017 795 V HN 1.208 nan 8.190 nan 0.000 0.428 796 S N 1.072 116.422 115.700 -0.582 0.000 2.666 796 S HA 0.445 4.931 4.470 0.027 0.000 0.239 796 S C 0.088 173.987 174.600 -1.169 0.000 1.031 796 S CA -0.244 57.040 58.200 -1.525 0.000 1.015 796 S CB -0.145 62.040 63.200 -1.692 0.000 0.981 796 S HN 0.876 nan 8.310 nan 0.000 0.547 797 E N 0.700 120.518 120.200 -0.637 0.000 2.260 797 E HA 0.573 4.939 4.350 0.027 0.000 0.266 797 E C 0.392 176.824 176.600 -0.279 0.000 0.887 797 E CA -0.336 55.798 56.400 -0.443 0.000 0.777 797 E CB 1.919 31.378 29.700 -0.402 0.000 1.205 797 E HN 0.189 nan 8.360 nan 0.000 0.414 798 A N 2.650 125.346 122.820 -0.206 0.000 1.917 798 A HA -0.232 4.104 4.320 0.027 0.000 0.219 798 A C 2.006 179.524 177.584 -0.109 0.000 1.182 798 A CA 2.515 54.480 52.037 -0.121 0.000 0.633 798 A CB -0.784 18.181 19.000 -0.058 0.000 0.819 798 A HN 0.661 nan 8.150 nan 0.000 0.448 799 T N 0.259 114.737 114.554 -0.126 0.000 2.622 799 T HA -0.125 4.241 4.350 0.027 0.000 0.266 799 T C 1.199 175.837 174.700 -0.104 0.000 1.047 799 T CA 1.365 63.402 62.100 -0.104 0.000 1.159 799 T CB -0.313 68.489 68.868 -0.111 0.000 0.863 799 T HN 0.564 nan 8.240 nan 0.000 0.422 800 R N 0.777 121.196 120.500 -0.135 0.000 2.801 800 R HA 0.543 4.899 4.340 0.027 0.000 0.273 800 R C -0.376 175.861 176.300 -0.105 0.000 1.080 800 R CA 0.094 56.120 56.100 -0.124 0.000 1.197 800 R CB 0.166 30.374 30.300 -0.152 0.000 1.109 800 R HN 0.332 nan 8.270 nan 0.000 0.535 801 I N -0.796 119.720 120.570 -0.089 0.000 2.894 801 I HA 0.229 4.416 4.170 0.027 0.000 0.302 801 I C -1.181 174.890 176.117 -0.076 0.000 1.188 801 I CA -0.839 60.416 61.300 -0.074 0.000 1.014 801 I CB 2.391 40.357 38.000 -0.058 0.000 1.242 801 I HN 0.396 nan 8.210 nan 0.000 0.430 802 D N 4.898 125.253 120.400 -0.075 0.000 2.505 802 D HA 0.384 5.040 4.640 0.027 0.000 0.250 802 D C -2.091 174.148 176.300 -0.102 0.000 1.164 802 D CA -2.247 51.701 54.000 -0.086 0.000 0.870 802 D CB 2.514 43.264 40.800 -0.083 0.000 1.160 802 D HN 0.062 nan 8.370 nan 0.000 0.549 803 P HA -0.094 nan 4.420 nan 0.000 0.218 803 P C 0.806 178.005 177.300 -0.169 0.000 1.148 803 P CA 0.767 63.799 63.100 -0.114 0.000 0.822 803 P CB 0.400 32.042 31.700 -0.096 0.000 0.784 804 N N -0.526 118.066 118.700 -0.179 0.000 2.521 804 N HA 0.059 4.815 4.740 0.027 0.000 0.188 804 N C 0.601 175.911 175.510 -0.333 0.000 1.146 804 N CA 0.156 53.053 53.050 -0.254 0.000 0.893 804 N CB -0.251 38.114 38.487 -0.204 0.000 0.975 804 N HN 0.101 nan 8.380 nan 0.000 0.451 805 A N -0.454 122.212 122.820 -0.256 0.000 2.388 805 A HA 0.146 4.482 4.320 0.027 0.000 0.257 805 A C 0.760 178.121 177.584 -0.372 0.000 1.095 805 A CA -0.530 51.357 52.037 -0.251 0.000 0.791 805 A CB 0.144 19.069 19.000 -0.124 0.000 1.029 805 A HN 0.313 nan 8.150 nan 0.000 0.489 806 W N 1.754 122.799 121.300 -0.426 0.000 2.321 806 W HA -0.201 4.475 4.660 0.026 0.000 0.306 806 W C 2.197 178.142 176.519 -0.956 0.000 1.217 806 W CA 1.874 58.700 57.345 -0.866 0.000 1.257 806 W CB -0.337 28.462 29.460 -1.103 0.000 1.145 806 W HN 0.556 nan 8.180 nan 0.000 0.509 807 V N 0.828 120.616 119.914 -0.210 0.000 2.392 807 V HA -0.277 3.859 4.120 0.027 0.000 0.249 807 V C 2.190 178.345 176.094 0.101 0.000 1.059 807 V CA 2.170 64.551 62.300 0.136 0.000 1.051 807 V CB -0.350 31.596 31.823 0.205 0.000 0.658 807 V HN 0.080 nan 8.190 nan 0.000 0.455 808 E N -0.040 120.131 120.200 -0.050 0.000 2.072 808 E HA -0.179 4.187 4.350 0.027 0.000 0.191 808 E C 2.351 178.910 176.600 -0.068 0.000 0.985 808 E CA 1.179 57.554 56.400 -0.043 0.000 0.801 808 E CB -0.383 29.262 29.700 -0.091 0.000 0.750 808 E HN 0.608 nan 8.360 nan 0.000 0.452 809 R N -0.182 120.191 120.500 -0.212 0.000 2.091 809 R HA -0.140 4.216 4.340 0.027 0.000 0.238 809 R C 2.301 178.535 176.300 -0.111 0.000 1.136 809 R CA 1.363 57.318 56.100 -0.242 0.000 0.959 809 R CB -0.221 29.807 30.300 -0.455 0.000 0.856 809 R HN 0.258 nan 8.270 nan 0.000 0.437 810 W N 1.439 122.701 121.300 -0.062 0.000 2.355 810 W HA -0.109 4.568 4.660 0.027 0.000 0.309 810 W C 2.031 178.523 176.519 -0.045 0.000 1.206 810 W CA 0.755 57.989 57.345 -0.185 0.000 1.284 810 W CB -0.746 28.758 29.460 0.072 0.000 1.145 810 W HN 0.103 nan 8.180 nan 0.000 0.502 811 K N 0.042 120.664 120.400 0.370 0.000 2.009 811 K HA -0.136 4.200 4.320 0.027 0.000 0.210 811 K C 2.262 178.924 176.600 0.103 0.000 1.049 811 K CA 2.023 58.475 56.287 0.275 0.000 0.929 811 K CB -0.694 31.914 32.500 0.180 0.000 0.714 811 K HN -0.004 nan 8.250 nan 0.000 0.440 812 A N 1.045 123.892 122.820 0.046 0.000 2.019 812 A HA -0.082 4.254 4.320 0.027 0.000 0.219 812 A C 2.174 179.747 177.584 -0.018 0.000 1.164 812 A CA 1.767 53.811 52.037 0.011 0.000 0.644 812 A CB -0.523 18.471 19.000 -0.010 0.000 0.805 812 A HN 0.360 nan 8.150 nan 0.000 0.449 813 A N -1.885 120.903 122.820 -0.054 0.000 2.208 813 A HA 0.404 4.740 4.320 0.027 0.000 0.209 813 A C 1.806 179.315 177.584 -0.125 0.000 1.161 813 A CA 1.206 53.213 52.037 -0.050 0.000 0.782 813 A CB -0.851 18.088 19.000 -0.103 0.000 0.816 813 A HN 1.860 nan 8.150 nan 0.000 0.477 814 G N -1.409 107.229 108.800 -0.270 0.000 2.143 814 G HA2 -0.312 3.664 3.960 0.027 0.000 0.249 814 G HA3 -0.312 3.664 3.960 0.027 0.000 0.249 814 G C 0.581 175.469 174.900 -0.020 0.000 0.981 814 G CA 0.684 45.416 45.100 -0.615 0.000 0.665 814 G HN 0.757 nan 8.290 nan 0.000 0.528 815 H N -1.559 117.493 119.070 -0.030 0.000 2.387 815 H HA -0.102 4.471 4.556 0.027 0.000 0.299 815 H C 2.141 177.449 175.328 -0.033 0.000 1.099 815 H CA 1.617 57.664 56.048 -0.002 0.000 1.315 815 H CB 0.084 29.791 29.762 -0.091 0.000 1.380 815 H HN 0.618 nan 8.280 nan 0.000 0.513 816 Y N 0.347 120.771 120.300 0.207 0.000 2.519 816 Y HA -0.031 4.535 4.550 0.027 0.000 0.287 816 Y C 2.019 178.006 175.900 0.146 0.000 1.128 816 Y CA 0.457 58.642 58.100 0.142 0.000 1.282 816 Y CB 0.411 38.937 38.460 0.109 0.000 1.027 816 Y HN 0.169 nan 8.280 nan 0.000 0.551 817 Q N -0.109 119.865 119.800 0.290 0.000 2.282 817 Q HA 0.282 4.639 4.340 0.027 0.000 0.206 817 Q C 0.611 176.808 176.000 0.328 0.000 0.878 817 Q CA -0.228 55.743 55.803 0.280 0.000 0.944 817 Q CB 0.503 29.408 28.738 0.277 0.000 1.100 817 Q HN 0.282 nan 8.270 nan 0.000 0.509 818 A N 2.366 125.397 122.820 0.352 0.000 2.540 818 A HA 0.004 4.340 4.320 0.027 0.000 0.239 818 A C -0.021 177.888 177.584 0.541 0.000 1.061 818 A CA 0.255 52.571 52.037 0.465 0.000 0.758 818 A CB 0.152 19.466 19.000 0.523 0.000 0.991 818 A HN 0.204 nan 8.150 nan 0.000 0.502 819 E N 1.773 122.215 120.200 0.404 0.000 2.158 819 E HA 0.538 4.904 4.350 0.027 0.000 0.271 819 E C -0.386 176.161 176.600 -0.089 0.000 0.911 819 E CA -0.721 55.810 56.400 0.218 0.000 0.767 819 E CB 1.582 31.367 29.700 0.142 0.000 1.120 819 E HN 0.700 nan 8.360 nan 0.000 0.405 820 A N 2.598 125.219 122.820 -0.333 0.000 2.488 820 A HA 0.452 4.788 4.320 0.027 0.000 0.249 820 A C -0.033 177.372 177.584 -0.298 0.000 1.083 820 A CA -0.029 51.509 52.037 -0.831 0.000 0.768 820 A CB 0.221 18.975 19.000 -0.409 0.000 1.017 820 A HN 0.689 nan 8.150 nan 0.000 0.496 821 A N 2.738 125.388 122.820 -0.283 0.000 2.318 821 A HA 0.582 4.918 4.320 0.027 0.000 0.317 821 A C -0.453 177.046 177.584 -0.141 0.000 1.159 821 A CA -0.584 51.382 52.037 -0.120 0.000 0.799 821 A CB 0.621 19.575 19.000 -0.077 0.000 1.194 821 A HN 1.338 nan 8.150 nan 0.000 0.479 822 L N 3.276 124.405 121.223 -0.157 0.000 2.360 822 L HA 0.341 4.697 4.340 0.027 0.000 0.276 822 L C 0.342 177.074 176.870 -0.229 0.000 1.121 822 L CA 0.327 54.963 54.840 -0.340 0.000 0.845 822 L CB 0.274 42.144 42.059 -0.316 0.000 1.143 822 L HN 0.760 nan 8.230 nan 0.000 0.452 823 L N 3.645 124.714 121.223 -0.257 0.000 2.470 823 L HA 0.342 4.698 4.340 0.027 0.000 0.219 823 L C 0.415 177.213 176.870 -0.120 0.000 1.071 823 L CA 0.025 54.785 54.840 -0.133 0.000 0.850 823 L CB -0.003 42.014 42.059 -0.071 0.000 1.040 823 L HN 0.769 nan 8.230 nan 0.000 0.475 824 Q N -0.498 119.195 119.800 -0.178 0.000 2.617 824 Q HA 0.276 4.632 4.340 0.027 0.000 0.270 824 Q C -2.174 173.761 176.000 -0.109 0.000 0.967 824 Q CA -0.573 55.167 55.803 -0.105 0.000 0.887 824 Q CB 2.604 31.312 28.738 -0.050 0.000 1.516 824 Q HN 0.029 nan 8.270 nan 0.000 0.395 825 C N 3.112 122.395 119.300 -0.029 0.000 2.727 825 C HA 0.827 5.303 4.460 0.027 0.000 0.369 825 C C -0.921 174.179 174.990 0.185 0.000 1.067 825 C CA 0.580 59.630 59.018 0.054 0.000 1.273 825 C CB 0.680 28.433 27.740 0.022 0.000 1.778 825 C HN 0.802 nan 8.230 nan 0.000 0.467 826 T N 2.512 117.137 114.554 0.118 0.000 2.896 826 T HA 0.881 5.248 4.350 0.027 0.000 0.297 826 T C -0.585 173.926 174.700 -0.316 0.000 1.108 826 T CA -0.314 61.804 62.100 0.031 0.000 1.004 826 T CB 1.891 70.745 68.868 -0.023 0.000 1.159 826 T HN 1.555 nan 8.240 nan 0.000 0.499 827 A N 1.783 124.198 122.820 -0.675 0.000 2.355 827 A HA 0.782 5.118 4.320 0.027 0.000 0.317 827 A C -0.968 176.346 177.584 -0.449 0.000 1.094 827 A CA -0.652 50.873 52.037 -0.854 0.000 0.764 827 A CB 1.100 19.102 19.000 -1.663 0.000 1.230 827 A HN 0.879 nan 8.150 nan 0.000 0.448 828 D N 0.422 120.619 120.400 -0.338 0.000 2.645 828 D HA 0.574 5.230 4.640 0.027 0.000 0.228 828 D C -1.062 175.122 176.300 -0.193 0.000 1.148 828 D CA 0.040 53.910 54.000 -0.217 0.000 0.860 828 D CB 2.504 43.212 40.800 -0.153 0.000 1.548 828 D HN 0.413 nan 8.370 nan 0.000 0.460 829 T N 1.342 115.810 114.554 -0.143 0.000 2.792 829 T HA 0.531 4.897 4.350 0.027 0.000 0.280 829 T C 0.434 175.084 174.700 -0.084 0.000 0.990 829 T CA -0.525 61.503 62.100 -0.120 0.000 0.960 829 T CB 1.036 69.838 68.868 -0.109 0.000 0.939 829 T HN 0.106 nan 8.240 nan 0.000 0.439 830 L N 1.270 122.447 121.223 -0.076 0.000 2.492 830 L HA 0.644 5.001 4.340 0.027 0.000 0.263 830 L C 1.893 178.739 176.870 -0.041 0.000 1.062 830 L CA -1.194 53.614 54.840 -0.054 0.000 0.817 830 L CB 0.353 42.380 42.059 -0.053 0.000 1.441 830 L HN 0.718 nan 8.230 nan 0.000 0.493 831 A N -0.012 122.792 122.820 -0.027 0.000 2.014 831 A HA -0.118 4.219 4.320 0.027 0.000 0.218 831 A C 1.059 178.636 177.584 -0.012 0.000 1.163 831 A CA 1.637 53.664 52.037 -0.016 0.000 0.652 831 A CB -0.436 18.559 19.000 -0.009 0.000 0.808 831 A HN 0.875 nan 8.150 nan 0.000 0.449 832 D N -2.423 117.966 120.400 -0.019 0.000 2.527 832 D HA 0.533 5.190 4.640 0.027 0.000 0.224 832 D C 0.246 176.527 176.300 -0.031 0.000 1.217 832 D CA 0.741 54.731 54.000 -0.016 0.000 0.819 832 D CB -0.086 40.708 40.800 -0.010 0.000 1.061 832 D HN 0.412 nan 8.370 nan 0.000 0.515 833 A N -0.474 122.317 122.820 -0.047 0.000 2.557 833 A HA 0.677 5.014 4.320 0.027 0.000 0.292 833 A C -1.767 175.758 177.584 -0.097 0.000 1.139 833 A CA -0.676 51.317 52.037 -0.073 0.000 0.665 833 A CB 1.441 20.395 19.000 -0.076 0.000 1.285 833 A HN -0.016 nan 8.150 nan 0.000 0.433 834 V N 0.344 120.179 119.914 -0.132 0.000 2.604 834 V HA 0.637 4.773 4.120 0.027 0.000 0.305 834 V C -1.147 174.838 176.094 -0.181 0.000 1.043 834 V CA -0.417 61.783 62.300 -0.166 0.000 0.888 834 V CB 1.484 33.200 31.823 -0.178 0.000 0.995 834 V HN 0.883 nan 8.190 nan 0.000 0.429 835 L N 6.151 127.258 121.223 -0.193 0.000 2.325 835 L HA 0.681 5.038 4.340 0.027 0.000 0.281 835 L C -1.039 175.681 176.870 -0.249 0.000 1.004 835 L CA -0.004 54.731 54.840 -0.176 0.000 0.823 835 L CB 1.243 43.229 42.059 -0.122 0.000 1.236 835 L HN 0.412 nan 8.230 nan 0.000 0.415 836 I N 4.100 124.517 120.570 -0.254 0.000 2.377 836 I HA 0.478 4.664 4.170 0.027 0.000 0.293 836 I C 0.012 176.084 176.117 -0.075 0.000 0.987 836 I CA -0.305 60.790 61.300 -0.341 0.000 1.185 836 I CB 1.583 39.092 38.000 -0.819 0.000 1.341 836 I HN 0.572 nan 8.210 nan 0.000 0.455 837 T N 5.064 119.578 114.554 -0.066 0.000 2.812 837 T HA 0.629 4.995 4.350 0.027 0.000 0.282 837 T C 0.144 174.878 174.700 0.057 0.000 0.990 837 T CA -0.538 61.575 62.100 0.021 0.000 0.960 837 T CB 1.537 70.392 68.868 -0.021 0.000 0.948 837 T HN 0.770 nan 8.240 nan 0.000 0.438 838 T N -0.219 114.408 114.554 0.122 0.000 2.907 838 T HA 0.916 5.282 4.350 0.027 0.000 0.290 838 T C -1.055 173.696 174.700 0.085 0.000 1.066 838 T CA -1.108 61.050 62.100 0.096 0.000 1.012 838 T CB 2.069 71.071 68.868 0.224 0.000 1.184 838 T HN 0.818 nan 8.240 nan 0.000 0.522 839 A N 1.240 124.047 122.820 -0.021 0.000 2.532 839 A HA 0.688 5.024 4.320 0.027 0.000 0.296 839 A C -1.593 175.921 177.584 -0.117 0.000 1.058 839 A CA -0.791 51.274 52.037 0.047 0.000 0.729 839 A CB 0.712 19.733 19.000 0.035 0.000 1.285 839 A HN 1.016 nan 8.150 nan 0.000 0.396 840 H N 0.027 119.125 119.070 0.047 0.000 2.895 840 H HA 0.812 5.384 4.556 0.027 0.000 0.373 840 H C -0.034 175.290 175.328 -0.007 0.000 1.174 840 H CA 0.307 56.299 56.048 -0.092 0.000 1.144 840 H CB 2.149 31.736 29.762 -0.292 0.000 1.793 840 H HN 1.085 nan 8.280 nan 0.000 0.551 841 A N 1.624 124.454 122.820 0.017 0.000 2.342 841 A HA 0.462 4.798 4.320 0.027 0.000 0.323 841 A C -1.330 176.273 177.584 0.032 0.000 1.125 841 A CA -0.688 51.428 52.037 0.132 0.000 0.785 841 A CB 1.126 20.174 19.000 0.081 0.000 1.221 841 A HN 0.573 nan 8.150 nan 0.000 0.463 842 W N 1.916 123.328 121.300 0.186 0.000 2.429 842 W HA 0.448 5.124 4.660 0.027 0.000 0.314 842 W C -0.410 176.139 176.519 0.051 0.000 1.062 842 W CA -0.145 57.309 57.345 0.182 0.000 1.211 842 W CB 1.791 31.425 29.460 0.290 0.000 1.305 842 W HN 0.808 nan 8.180 nan 0.000 0.476 843 Q N 1.417 121.366 119.800 0.247 0.000 2.528 843 Q HA 0.481 4.838 4.340 0.027 0.000 0.289 843 Q C -1.479 174.654 176.000 0.221 0.000 1.091 843 Q CA -1.114 54.786 55.803 0.161 0.000 0.797 843 Q CB 3.409 32.201 28.738 0.090 0.000 1.466 843 Q HN 0.427 nan 8.270 nan 0.000 0.436 844 H N 0.067 119.176 119.070 0.065 0.000 3.083 844 H HA 0.144 4.716 4.556 0.027 0.000 0.339 844 H C -1.327 174.035 175.328 0.055 0.000 1.020 844 H CA -0.144 55.950 56.048 0.077 0.000 1.360 844 H CB 1.027 30.844 29.762 0.092 0.000 1.811 844 H HN 0.719 nan 8.280 nan 0.000 0.493 845 Q N 3.778 123.332 119.800 -0.409 0.000 2.416 845 Q HA -0.256 4.100 4.340 0.027 0.000 0.319 845 Q C 1.036 176.992 176.000 -0.075 0.000 1.318 845 Q CA 1.242 56.896 55.803 -0.249 0.000 0.915 845 Q CB -1.396 27.189 28.738 -0.254 0.000 1.184 845 Q HN 1.264 nan 8.270 nan 0.000 0.444 846 G N -0.510 108.265 108.800 -0.041 0.000 2.205 846 G HA2 -0.385 3.591 3.960 0.027 0.000 0.261 846 G HA3 -0.385 3.591 3.960 0.027 0.000 0.261 846 G C 0.062 174.972 174.900 0.017 0.000 0.980 846 G CA 0.610 45.706 45.100 -0.006 0.000 0.632 846 G HN 0.375 nan 8.290 nan 0.000 0.533 847 K N 1.537 121.959 120.400 0.037 0.000 2.183 847 K HA 0.626 4.962 4.320 0.027 0.000 0.274 847 K C 0.047 176.671 176.600 0.040 0.000 1.009 847 K CA -0.135 56.178 56.287 0.044 0.000 0.888 847 K CB 0.860 33.399 32.500 0.065 0.000 1.078 847 K HN -0.012 nan 8.250 nan 0.000 0.459 848 T N 6.519 121.086 114.554 0.021 0.000 2.739 848 T HA 0.197 4.563 4.350 0.027 0.000 0.298 848 T C 1.164 175.824 174.700 -0.067 0.000 0.929 848 T CA -0.365 61.745 62.100 0.015 0.000 1.014 848 T CB 0.157 69.049 68.868 0.040 0.000 0.914 848 T HN 0.539 nan 8.240 nan 0.000 0.509 849 L N 2.550 123.650 121.223 -0.204 0.000 2.049 849 L HA 0.262 4.618 4.340 0.027 0.000 0.203 849 L C 0.132 176.597 176.870 -0.676 0.000 1.074 849 L CA 1.179 55.639 54.840 -0.633 0.000 0.749 849 L CB -0.064 41.271 42.059 -1.207 0.000 0.907 849 L HN 0.515 nan 8.230 nan 0.000 0.439 850 F N -1.318 118.593 119.950 -0.065 0.000 2.588 850 F HA 0.552 5.095 4.527 0.027 0.000 0.310 850 F C -0.465 175.421 175.800 0.143 0.000 1.082 850 F CA -0.841 57.068 58.000 -0.152 0.000 0.929 850 F CB 2.131 40.694 39.000 -0.728 0.000 1.254 850 F HN -0.311 nan 8.300 nan 0.000 0.455 851 I N 1.511 122.283 120.570 0.336 0.000 2.465 851 I HA 0.371 4.557 4.170 0.027 0.000 0.291 851 I C -0.717 175.648 176.117 0.413 0.000 1.014 851 I CA -0.502 61.021 61.300 0.371 0.000 1.093 851 I CB 2.180 40.319 38.000 0.233 0.000 1.267 851 I HN 0.518 nan 8.210 nan 0.000 0.431 852 S N 6.867 122.902 115.700 0.559 0.000 2.498 852 S HA 0.572 5.058 4.470 0.027 0.000 0.317 852 S C -0.693 174.135 174.600 0.380 0.000 1.090 852 S CA -0.690 57.813 58.200 0.506 0.000 1.089 852 S CB 0.611 64.219 63.200 0.679 0.000 0.997 852 S HN 0.551 nan 8.310 nan 0.000 0.470 853 R N 3.532 124.182 120.500 0.251 0.000 2.437 853 R HA 0.568 4.925 4.340 0.027 0.000 0.310 853 R C -0.662 175.701 176.300 0.104 0.000 0.955 853 R CA -0.742 55.461 56.100 0.171 0.000 0.851 853 R CB 1.774 32.151 30.300 0.128 0.000 1.161 853 R HN 0.578 nan 8.270 nan 0.000 0.446 854 K N 0.788 121.242 120.400 0.089 0.000 2.480 854 K HA 0.498 4.834 4.320 0.027 0.000 0.258 854 K C -0.825 175.742 176.600 -0.054 0.000 0.990 854 K CA -0.951 55.312 56.287 -0.040 0.000 0.857 854 K CB 2.542 34.981 32.500 -0.100 0.000 1.384 854 K HN 0.625 nan 8.250 nan 0.000 0.446 855 T N -1.395 113.050 114.554 -0.181 0.000 2.916 855 T HA 0.552 4.918 4.350 0.027 0.000 0.298 855 T C -1.338 173.226 174.700 -0.227 0.000 1.031 855 T CA -0.777 61.262 62.100 -0.102 0.000 0.993 855 T CB 0.471 69.308 68.868 -0.051 0.000 1.045 855 T HN 0.395 nan 8.240 nan 0.000 0.454 856 Y N 0.935 121.199 120.300 -0.060 0.000 2.350 856 Y HA 0.678 5.244 4.550 0.027 0.000 0.338 856 Y C 0.439 176.264 175.900 -0.125 0.000 0.961 856 Y CA -1.180 56.895 58.100 -0.042 0.000 1.100 856 Y CB 1.990 40.457 38.460 0.012 0.000 1.179 856 Y HN 0.722 nan 8.280 nan 0.000 0.454 857 R N 4.374 124.886 120.500 0.020 0.000 2.371 857 R HA 0.629 4.986 4.340 0.027 0.000 0.312 857 R C -1.778 174.456 176.300 -0.109 0.000 0.980 857 R CA -0.330 55.735 56.100 -0.058 0.000 0.867 857 R CB 0.524 30.800 30.300 -0.040 0.000 1.163 857 R HN 0.805 nan 8.270 nan 0.000 0.492 858 I N 5.034 125.481 120.570 -0.206 0.000 2.354 858 I HA 0.248 4.434 4.170 0.027 0.000 0.292 858 I C -0.307 175.680 176.117 -0.217 0.000 0.989 858 I CA -0.622 60.473 61.300 -0.341 0.000 1.188 858 I CB 1.473 39.073 38.000 -0.667 0.000 1.342 858 I HN 0.691 nan 8.210 nan 0.000 0.457 859 D N 4.223 124.532 120.400 -0.152 0.000 2.553 859 D HA 0.280 4.936 4.640 0.027 0.000 0.249 859 D C 1.167 177.441 176.300 -0.043 0.000 1.062 859 D CA -0.679 53.273 54.000 -0.080 0.000 1.085 859 D CB 0.872 41.645 40.800 -0.047 0.000 1.350 859 D HN 0.473 nan 8.370 nan 0.000 0.575 860 G N -0.429 108.358 108.800 -0.021 0.000 2.503 860 G HA2 -0.323 3.654 3.960 0.027 0.000 0.221 860 G HA3 -0.323 3.654 3.960 0.027 0.000 0.221 860 G C 1.328 176.221 174.900 -0.011 0.000 1.131 860 G CA 1.843 46.939 45.100 -0.007 0.000 0.756 860 G HN 0.662 nan 8.290 nan 0.000 0.572 861 S N -0.393 115.298 115.700 -0.016 0.000 2.555 861 S HA 0.319 4.805 4.470 0.027 0.000 0.230 861 S C 1.953 176.577 174.600 0.040 0.000 0.978 861 S CA 0.974 59.168 58.200 -0.011 0.000 0.934 861 S CB -0.235 62.962 63.200 -0.006 0.000 0.766 861 S HN 1.710 nan 8.310 nan 0.000 0.533 862 G N 0.206 109.053 108.800 0.079 0.000 2.176 862 G HA2 -0.239 3.737 3.960 0.027 0.000 0.253 862 G HA3 -0.239 3.737 3.960 0.027 0.000 0.253 862 G C -0.197 174.816 174.900 0.188 0.000 0.979 862 G CA 0.153 45.371 45.100 0.195 0.000 0.641 862 G HN 0.628 nan 8.290 nan 0.000 0.530 863 Q N -0.386 119.463 119.800 0.083 0.000 2.243 863 Q HA 0.634 4.990 4.340 0.027 0.000 0.252 863 Q C 0.212 176.221 176.000 0.015 0.000 0.909 863 Q CA -0.298 55.561 55.803 0.093 0.000 0.922 863 Q CB 1.535 30.320 28.738 0.078 0.000 1.215 863 Q HN 0.403 nan 8.270 nan 0.000 0.427 864 M N 2.406 122.056 119.600 0.083 0.000 2.055 864 M HA 0.434 4.930 4.480 0.027 0.000 0.346 864 M C -1.193 175.197 176.300 0.150 0.000 1.074 864 M CA -0.468 54.851 55.300 0.032 0.000 1.009 864 M CB 0.638 33.281 32.600 0.072 0.000 1.423 864 M HN 0.704 nan 8.290 nan 0.000 0.410 865 A N 6.786 129.657 122.820 0.084 0.000 2.309 865 A HA 0.607 4.943 4.320 0.027 0.000 0.290 865 A C -0.589 177.029 177.584 0.056 0.000 1.206 865 A CA -0.485 51.605 52.037 0.089 0.000 0.850 865 A CB -0.063 18.968 19.000 0.052 0.000 1.118 865 A HN 0.912 nan 8.150 nan 0.000 0.523 866 I N 2.536 123.132 120.570 0.043 0.000 2.362 866 I HA 0.298 4.484 4.170 0.027 0.000 0.289 866 I C -0.153 175.853 176.117 -0.185 0.000 0.994 866 I CA -0.229 60.994 61.300 -0.129 0.000 1.158 866 I CB 1.964 39.919 38.000 -0.075 0.000 1.315 866 I HN 0.476 nan 8.210 nan 0.000 0.451 867 T N 5.903 120.307 114.554 -0.249 0.000 2.758 867 T HA 0.501 4.867 4.350 0.027 0.000 0.285 867 T C -0.174 174.317 174.700 -0.348 0.000 0.981 867 T CA -0.463 61.486 62.100 -0.253 0.000 0.965 867 T CB 1.542 70.358 68.868 -0.086 0.000 0.927 867 T HN 0.220 nan 8.240 nan 0.000 0.448 868 V N 3.750 123.320 119.914 -0.573 0.000 2.495 868 V HA 0.486 4.622 4.120 0.027 0.000 0.298 868 V C -0.578 175.328 176.094 -0.312 0.000 1.031 868 V CA -0.901 61.094 62.300 -0.508 0.000 0.871 868 V CB 1.969 33.279 31.823 -0.854 0.000 0.988 868 V HN 0.829 nan 8.190 nan 0.000 0.432 869 D N 3.379 123.770 120.400 -0.016 0.000 2.505 869 D HA 0.464 5.121 4.640 0.027 0.000 0.250 869 D C -0.922 175.496 176.300 0.197 0.000 1.164 869 D CA -0.082 54.011 54.000 0.155 0.000 0.870 869 D CB 2.603 43.521 40.800 0.197 0.000 1.160 869 D HN 0.249 nan 8.370 nan 0.000 0.549 870 V N 2.270 122.341 119.914 0.263 0.000 2.547 870 V HA 0.307 4.443 4.120 0.027 0.000 0.299 870 V C 0.220 176.452 176.094 0.230 0.000 1.040 870 V CA -0.603 61.864 62.300 0.279 0.000 0.913 870 V CB 2.359 34.390 31.823 0.347 0.000 0.992 870 V HN 0.358 nan 8.190 nan 0.000 0.449 871 E N 2.229 122.548 120.200 0.199 0.000 2.199 871 E HA 0.596 4.962 4.350 0.027 0.000 0.269 871 E C -1.560 175.145 176.600 0.176 0.000 0.899 871 E CA -0.586 55.910 56.400 0.160 0.000 0.772 871 E CB 2.484 32.264 29.700 0.133 0.000 1.155 871 E HN 0.422 nan 8.360 nan 0.000 0.408 872 V N 2.406 122.429 119.914 0.181 0.000 2.378 872 V HA 0.346 4.482 4.120 0.027 0.000 0.288 872 V C 0.127 176.316 176.094 0.157 0.000 1.016 872 V CA -0.912 61.521 62.300 0.222 0.000 0.840 872 V CB 1.255 33.247 31.823 0.281 0.000 0.994 872 V HN 0.830 nan 8.190 nan 0.000 0.431 873 A N 3.763 126.640 122.820 0.096 0.000 2.567 873 A HA 0.225 4.561 4.320 0.027 0.000 0.240 873 A C 1.718 179.376 177.584 0.123 0.000 1.053 873 A CA 0.665 52.747 52.037 0.075 0.000 0.755 873 A CB 0.202 19.217 19.000 0.024 0.000 0.978 873 A HN 1.378 nan 8.150 nan 0.000 0.507 874 S N 1.388 117.154 115.700 0.111 0.000 2.419 874 S HA -0.197 4.289 4.470 0.027 0.000 0.235 874 S C 0.928 175.614 174.600 0.144 0.000 1.019 874 S CA 1.546 59.829 58.200 0.139 0.000 0.982 874 S CB -0.355 62.904 63.200 0.099 0.000 0.789 874 S HN 0.839 nan 8.310 nan 0.000 0.490 875 D N 0.018 120.477 120.400 0.098 0.000 2.349 875 D HA 0.154 4.810 4.640 0.027 0.000 0.214 875 D C 0.595 176.938 176.300 0.072 0.000 1.063 875 D CA 0.053 54.095 54.000 0.069 0.000 0.847 875 D CB -0.510 40.315 40.800 0.042 0.000 0.933 875 D HN 0.313 nan 8.370 nan 0.000 0.513 876 T N 1.262 115.887 114.554 0.118 0.000 2.913 876 T HA 0.383 4.750 4.350 0.027 0.000 0.287 876 T C -2.553 172.265 174.700 0.198 0.000 1.008 876 T CA -1.867 60.327 62.100 0.156 0.000 1.067 876 T CB 1.007 69.994 68.868 0.200 0.000 0.996 876 T HN -0.159 nan 8.240 nan 0.000 0.513 877 P HA 0.085 nan 4.420 nan 0.000 0.266 877 P C -0.608 177.006 177.300 0.522 0.000 1.195 877 P CA 0.133 63.328 63.100 0.160 0.000 0.768 877 P CB -0.047 31.740 31.700 0.145 0.000 0.838 878 H N 3.390 122.832 119.070 0.620 0.000 3.034 878 H HA 0.063 4.635 4.556 0.027 0.000 0.324 878 H C -1.631 174.074 175.328 0.627 0.000 1.015 878 H CA -1.295 55.071 56.048 0.531 0.000 1.429 878 H CB -0.481 29.525 29.762 0.407 0.000 1.429 878 H HN 0.381 nan 8.280 nan 0.000 0.585 879 P HA 0.023 nan 4.420 nan 0.000 0.274 879 P C 0.110 177.344 177.300 -0.109 0.000 1.237 879 P CA -0.336 62.862 63.100 0.164 0.000 0.793 879 P CB 0.976 32.590 31.700 -0.143 0.000 0.977 880 A N 2.456 124.946 122.820 -0.551 0.000 2.014 880 A HA -0.059 4.277 4.320 0.027 0.000 0.218 880 A C 0.949 178.161 177.584 -0.621 0.000 1.163 880 A CA 1.245 52.919 52.037 -0.605 0.000 0.652 880 A CB -0.542 17.901 19.000 -0.928 0.000 0.808 880 A HN 0.734 nan 8.150 nan 0.000 0.449 881 R N -2.718 117.456 120.500 -0.544 0.000 2.712 881 R HA 0.701 5.058 4.340 0.027 0.000 0.272 881 R C -1.726 174.343 176.300 -0.384 0.000 1.032 881 R CA -0.775 55.009 56.100 -0.526 0.000 0.874 881 R CB 0.716 30.652 30.300 -0.607 0.000 1.256 881 R HN -0.014 nan 8.270 nan 0.000 0.468 882 I N 1.410 121.791 120.570 -0.315 0.000 2.493 882 I HA 0.661 4.847 4.170 0.027 0.000 0.279 882 I C -0.290 175.609 176.117 -0.364 0.000 1.045 882 I CA -0.294 60.858 61.300 -0.247 0.000 1.106 882 I CB 1.783 39.722 38.000 -0.101 0.000 1.216 882 I HN 0.974 nan 8.210 nan 0.000 0.459 883 G N 5.815 114.332 108.800 -0.472 0.000 2.664 883 G HA2 0.732 4.708 3.960 0.027 0.000 0.303 883 G HA3 0.732 4.708 3.960 0.027 0.000 0.303 883 G C -1.657 173.077 174.900 -0.278 0.000 1.243 883 G CA -0.578 44.286 45.100 -0.394 0.000 0.826 883 G HN 0.270 nan 8.290 nan 0.000 0.498 884 L N 0.733 121.842 121.223 -0.189 0.000 2.309 884 L HA 0.673 5.029 4.340 0.027 0.000 0.261 884 L C -0.698 176.078 176.870 -0.158 0.000 1.021 884 L CA -1.147 53.616 54.840 -0.128 0.000 0.823 884 L CB 2.480 44.548 42.059 0.016 0.000 1.366 884 L HN 0.802 nan 8.230 nan 0.000 0.423 885 N N 0.421 119.058 118.700 -0.105 0.000 2.525 885 N HA 0.741 5.497 4.740 0.027 0.000 0.270 885 N C -1.245 174.277 175.510 0.020 0.000 1.321 885 N CA -0.608 52.412 53.050 -0.050 0.000 0.797 885 N CB 2.292 40.777 38.487 -0.004 0.000 1.529 885 N HN 0.897 nan 8.380 nan 0.000 0.491 886 C N -1.380 117.947 119.300 0.045 0.000 3.303 886 C HA 0.555 5.031 4.460 0.027 0.000 0.340 886 C C -1.362 173.453 174.990 -0.291 0.000 1.274 886 C CA -0.825 58.163 59.018 -0.051 0.000 1.234 886 C CB 0.915 28.658 27.740 0.005 0.000 1.532 886 C HN 0.871 nan 8.230 nan 0.000 0.483 887 Q N 1.715 121.109 119.800 -0.676 0.000 2.372 887 Q HA 0.665 5.022 4.340 0.027 0.000 0.259 887 Q C -0.916 174.781 176.000 -0.505 0.000 0.993 887 Q CA -0.437 54.720 55.803 -1.077 0.000 0.854 887 Q CB 0.865 28.622 28.738 -1.635 0.000 1.231 887 Q HN 0.766 nan 8.270 nan 0.000 0.462 888 L N 2.219 123.255 121.223 -0.311 0.000 2.418 888 L HA 0.315 4.671 4.340 0.027 0.000 0.265 888 L C 1.221 178.024 176.870 -0.112 0.000 1.143 888 L CA -0.218 54.558 54.840 -0.107 0.000 0.809 888 L CB 0.726 42.830 42.059 0.075 0.000 1.124 888 L HN 0.777 nan 8.230 nan 0.000 0.456 889 A N 1.468 124.252 122.820 -0.060 0.000 2.014 889 A HA -0.093 4.244 4.320 0.027 0.000 0.218 889 A C 1.117 178.690 177.584 -0.018 0.000 1.163 889 A CA 0.656 52.653 52.037 -0.067 0.000 0.652 889 A CB -0.276 18.676 19.000 -0.080 0.000 0.808 889 A HN 0.806 nan 8.150 nan 0.000 0.449 890 Q N -0.466 119.362 119.800 0.047 0.000 2.368 890 Q HA 0.469 4.825 4.340 0.027 0.000 0.237 890 Q C -1.303 174.749 176.000 0.087 0.000 0.987 890 Q CA -0.048 55.781 55.803 0.042 0.000 0.896 890 Q CB 1.053 29.817 28.738 0.043 0.000 1.241 890 Q HN 0.113 nan 8.270 nan 0.000 0.485 891 V N 2.942 122.870 119.914 0.025 0.000 2.419 891 V HA 0.707 4.843 4.120 0.027 0.000 0.287 891 V C -0.704 175.379 176.094 -0.019 0.000 1.017 891 V CA -0.306 62.040 62.300 0.077 0.000 0.844 891 V CB 0.895 32.739 31.823 0.035 0.000 1.011 891 V HN 0.891 nan 8.190 nan 0.000 0.429 892 A N 3.304 126.074 122.820 -0.082 0.000 2.309 892 A HA 0.766 5.102 4.320 0.027 0.000 0.317 892 A C 0.712 178.309 177.584 0.021 0.000 1.134 892 A CA -0.440 51.477 52.037 -0.200 0.000 0.866 892 A CB 1.227 19.838 19.000 -0.648 0.000 1.329 892 A HN 0.756 nan 8.150 nan 0.000 0.477 893 E N -0.256 119.947 120.200 0.005 0.000 2.076 893 E HA -0.025 4.341 4.350 0.027 0.000 0.190 893 E C 0.098 176.770 176.600 0.120 0.000 0.979 893 E CA 0.715 57.151 56.400 0.062 0.000 0.807 893 E CB 0.127 29.845 29.700 0.030 0.000 0.761 893 E HN 0.390 nan 8.360 nan 0.000 0.454 894 R N 0.390 120.972 120.500 0.137 0.000 2.778 894 R HA 0.489 4.845 4.340 0.027 0.000 0.277 894 R C -0.826 175.657 176.300 0.305 0.000 0.977 894 R CA -0.829 55.382 56.100 0.185 0.000 0.950 894 R CB 1.814 32.192 30.300 0.131 0.000 1.165 894 R HN -0.152 nan 8.270 nan 0.000 0.474 895 V N 2.351 122.455 119.914 0.317 0.000 2.444 895 V HA 0.358 4.494 4.120 0.027 0.000 0.294 895 V C -0.188 176.175 176.094 0.450 0.000 1.022 895 V CA -0.894 61.629 62.300 0.372 0.000 0.850 895 V CB 1.735 33.714 31.823 0.259 0.000 0.992 895 V HN 0.634 nan 8.190 nan 0.000 0.426 896 N N 4.734 123.675 118.700 0.402 0.000 2.354 896 N HA 0.540 5.296 4.740 0.027 0.000 0.287 896 N C -1.390 174.375 175.510 0.424 0.000 1.016 896 N CA -0.424 52.835 53.050 0.348 0.000 0.871 896 N CB 2.658 41.247 38.487 0.170 0.000 1.299 896 N HN 0.820 nan 8.380 nan 0.000 0.482 897 W N 3.330 124.657 121.300 0.045 0.000 3.118 897 W HA 0.570 5.246 4.660 0.027 0.000 0.328 897 W C -2.117 174.358 176.519 -0.073 0.000 1.239 897 W CA -1.099 56.243 57.345 -0.004 0.000 1.176 897 W CB 0.723 30.185 29.460 0.003 0.000 1.433 897 W HN 0.233 nan 8.180 nan 0.000 0.562 898 L N 4.330 125.534 121.223 -0.032 0.000 2.295 898 L HA 0.912 5.268 4.340 0.027 0.000 0.281 898 L C 0.034 176.719 176.870 -0.307 0.000 1.018 898 L CA 0.462 55.099 54.840 -0.339 0.000 0.841 898 L CB 0.668 42.604 42.059 -0.205 0.000 1.218 898 L HN 1.009 nan 8.230 nan 0.000 0.424 899 G N 3.686 112.123 108.800 -0.605 0.000 2.360 899 G HA2 0.196 4.172 3.960 0.027 0.000 0.276 899 G HA3 0.196 4.172 3.960 0.027 0.000 0.276 899 G C -1.685 173.165 174.900 -0.084 0.000 1.256 899 G CA -1.012 43.908 45.100 -0.301 0.000 0.890 899 G HN 0.421 nan 8.290 nan 0.000 0.486 900 L N 1.031 122.371 121.223 0.194 0.000 2.349 900 L HA 0.671 5.027 4.340 0.027 0.000 0.275 900 L C 1.048 178.019 176.870 0.168 0.000 1.115 900 L CA 0.600 55.541 54.840 0.167 0.000 0.820 900 L CB 0.890 43.006 42.059 0.094 0.000 1.135 900 L HN 1.220 nan 8.230 nan 0.000 0.445 901 G N 2.372 111.064 108.800 -0.180 0.000 2.364 901 G HA2 0.220 4.196 3.960 0.027 0.000 0.286 901 G HA3 0.220 4.196 3.960 0.027 0.000 0.286 901 G C -2.715 171.373 174.900 -1.354 0.000 1.241 901 G CA -0.234 44.452 45.100 -0.690 0.000 0.887 901 G HN 0.312 nan 8.290 nan 0.000 0.484 902 P HA 0.060 nan 4.420 nan 0.000 0.227 902 P C 0.543 177.651 177.300 -0.321 0.000 1.161 902 P CA 0.706 63.163 63.100 -1.072 0.000 0.788 902 P CB 0.344 31.572 31.700 -0.786 0.000 0.822 903 Q N 0.477 120.081 119.800 -0.327 0.000 2.396 903 Q HA 0.121 4.477 4.340 0.027 0.000 0.221 903 Q C 0.405 176.295 176.000 -0.184 0.000 1.025 903 Q CA -0.534 55.154 55.803 -0.193 0.000 0.946 903 Q CB 0.538 29.181 28.738 -0.159 0.000 1.224 903 Q HN 0.145 nan 8.270 nan 0.000 0.539 904 E N 1.209 121.305 120.200 -0.174 0.000 2.568 904 E HA -0.125 4.241 4.350 0.027 0.000 0.262 904 E C -1.100 175.406 176.600 -0.157 0.000 0.961 904 E CA 0.302 56.582 56.400 -0.201 0.000 0.945 904 E CB 0.262 29.910 29.700 -0.087 0.000 0.924 904 E HN 0.583 nan 8.360 nan 0.000 0.467 905 N N 2.569 121.100 118.700 -0.280 0.000 2.367 905 N HA 0.296 5.052 4.740 0.027 0.000 0.278 905 N C -1.898 173.371 175.510 -0.403 0.000 1.117 905 N CA -0.658 52.280 53.050 -0.187 0.000 0.867 905 N CB 0.680 39.084 38.487 -0.139 0.000 1.649 905 N HN 0.225 nan 8.380 nan 0.000 0.479 906 Y N 0.280 120.485 120.300 -0.159 0.000 2.630 906 Y HA 0.527 5.093 4.550 0.027 0.000 0.337 906 Y C -1.604 174.219 175.900 -0.128 0.000 1.051 906 Y CA -2.095 55.899 58.100 -0.177 0.000 1.121 906 Y CB 1.594 39.946 38.460 -0.180 0.000 1.299 906 Y HN 0.429 nan 8.280 nan 0.000 0.498 907 P HA -0.179 nan 4.420 nan 0.000 0.216 907 P C 0.398 177.556 177.300 -0.236 0.000 1.153 907 P CA 2.173 65.297 63.100 0.040 0.000 0.858 907 P CB 0.186 32.025 31.700 0.232 0.000 0.789 908 D N -2.303 117.760 120.400 -0.562 0.000 2.342 908 D HA 0.011 4.667 4.640 0.027 0.000 0.221 908 D C 0.669 176.809 176.300 -0.266 0.000 1.101 908 D CA 0.054 53.510 54.000 -0.907 0.000 0.837 908 D CB -0.230 39.780 40.800 -1.316 0.000 0.938 908 D HN 0.115 nan 8.370 nan 0.000 0.508 909 R N 0.986 121.434 120.500 -0.087 0.000 2.734 909 R HA 0.184 4.540 4.340 0.027 0.000 0.242 909 R C -0.656 175.673 176.300 0.048 0.000 1.617 909 R CA -0.134 55.979 56.100 0.022 0.000 1.572 909 R CB 0.083 30.404 30.300 0.034 0.000 1.477 909 R HN 0.102 nan 8.270 nan 0.000 0.707 910 L N -1.850 119.407 121.223 0.058 0.000 3.386 910 L HA 0.332 4.688 4.340 0.027 0.000 0.307 910 L C 1.370 178.298 176.870 0.097 0.000 1.235 910 L CA 0.065 54.939 54.840 0.055 0.000 1.056 910 L CB 0.212 42.291 42.059 0.034 0.000 1.453 910 L HN 0.081 nan 8.230 nan 0.000 0.615 911 T N -2.531 112.109 114.554 0.143 0.000 2.867 911 T HA 0.001 4.367 4.350 0.027 0.000 0.268 911 T C 1.802 176.577 174.700 0.126 0.000 1.057 911 T CA 1.307 63.521 62.100 0.189 0.000 1.136 911 T CB -0.297 68.728 68.868 0.262 0.000 0.874 911 T HN 0.381 nan 8.240 nan 0.000 0.466 912 A N 1.694 124.597 122.820 0.139 0.000 2.066 912 A HA 0.617 4.953 4.320 0.027 0.000 0.218 912 A C 1.670 179.341 177.584 0.145 0.000 1.157 912 A CA 0.606 52.695 52.037 0.086 0.000 0.670 912 A CB -1.025 18.143 19.000 0.280 0.000 0.804 912 A HN 0.856 nan 8.150 nan 0.000 0.453 913 A N -1.220 121.631 122.820 0.053 0.000 2.406 913 A HA 0.434 4.770 4.320 0.027 0.000 0.243 913 A C 0.064 177.667 177.584 0.031 0.000 1.082 913 A CA 0.058 52.082 52.037 -0.022 0.000 0.786 913 A CB -0.121 18.845 19.000 -0.057 0.000 1.029 913 A HN 0.515 nan 8.150 nan 0.000 0.495 914 C N 0.020 119.329 119.300 0.015 0.000 2.561 914 C HA 0.533 5.009 4.460 0.027 0.000 0.319 914 C C -0.166 174.925 174.990 0.168 0.000 1.198 914 C CA -0.498 58.593 59.018 0.121 0.000 1.665 914 C CB 0.844 28.687 27.740 0.171 0.000 2.258 914 C HN 0.781 nan 8.230 nan 0.000 0.493 915 F N 3.793 123.586 119.950 -0.263 0.000 2.444 915 F HA 0.450 4.993 4.527 0.027 0.000 0.360 915 F C 0.390 175.855 175.800 -0.560 0.000 1.106 915 F CA 1.181 58.854 58.000 -0.545 0.000 1.170 915 F CB -0.071 38.054 39.000 -1.458 0.000 1.113 915 F HN 0.639 nan 8.300 nan 0.000 0.521 916 D N 3.686 123.515 120.400 -0.953 0.000 2.865 916 D HA 0.181 4.837 4.640 0.027 0.000 0.343 916 D C -1.613 173.838 176.300 -1.416 0.000 1.372 916 D CA -0.760 52.580 54.000 -1.100 0.000 0.862 916 D CB 1.705 41.666 40.800 -1.398 0.000 1.425 916 D HN 0.523 nan 8.370 nan 0.000 0.501 917 R N 0.709 120.453 120.500 -1.259 0.000 2.229 917 R HA 0.515 4.871 4.340 0.027 0.000 0.332 917 R C -1.429 174.140 176.300 -1.218 0.000 0.989 917 R CA -0.329 55.170 56.100 -1.002 0.000 0.842 917 R CB 0.428 30.396 30.300 -0.554 0.000 1.119 917 R HN 0.278 nan 8.270 nan 0.000 0.456 918 W N 2.519 123.300 121.300 -0.865 0.000 2.639 918 W HA 0.403 5.080 4.660 0.027 0.000 0.347 918 W C -0.497 175.652 176.519 -0.617 0.000 1.067 918 W CA -0.690 56.110 57.345 -0.908 0.000 1.218 918 W CB 1.796 30.224 29.460 -1.720 0.000 1.393 918 W HN 0.398 nan 8.180 nan 0.000 0.557 919 D N 2.728 123.091 120.400 -0.061 0.000 2.602 919 D HA 0.451 5.107 4.640 0.027 0.000 0.245 919 D C -1.428 174.965 176.300 0.155 0.000 1.325 919 D CA -0.125 53.924 54.000 0.080 0.000 0.952 919 D CB 0.952 41.766 40.800 0.023 0.000 1.317 919 D HN 0.371 nan 8.370 nan 0.000 0.577 920 L N 2.899 124.282 121.223 0.267 0.000 2.327 920 L HA 0.589 4.945 4.340 0.027 0.000 0.258 920 L C -2.333 174.650 176.870 0.188 0.000 1.024 920 L CA -2.229 52.738 54.840 0.211 0.000 0.825 920 L CB 2.656 44.874 42.059 0.265 0.000 1.386 920 L HN 0.171 nan 8.230 nan 0.000 0.417 921 P HA 0.048 nan 4.420 nan 0.000 0.271 921 P C 0.536 177.912 177.300 0.127 0.000 1.216 921 P CA -0.341 62.830 63.100 0.118 0.000 0.776 921 P CB 0.992 32.742 31.700 0.084 0.000 0.881 922 L N 3.440 124.744 121.223 0.136 0.000 2.081 922 L HA -0.262 4.094 4.340 0.027 0.000 0.212 922 L C 2.166 179.080 176.870 0.074 0.000 1.080 922 L CA 2.600 57.506 54.840 0.111 0.000 0.754 922 L CB -1.312 40.829 42.059 0.137 0.000 0.893 922 L HN 0.400 nan 8.230 nan 0.000 0.433 923 S N -1.407 114.339 115.700 0.078 0.000 2.383 923 S HA -0.206 4.280 4.470 0.027 0.000 0.229 923 S C 1.597 176.262 174.600 0.107 0.000 1.030 923 S CA 1.240 59.498 58.200 0.096 0.000 1.002 923 S CB -0.858 62.395 63.200 0.088 0.000 0.829 923 S HN 0.519 nan 8.310 nan 0.000 0.467 924 D N 1.292 121.735 120.400 0.073 0.000 2.378 924 D HA 0.054 4.710 4.640 0.027 0.000 0.222 924 D C 1.208 177.513 176.300 0.008 0.000 0.980 924 D CA 0.615 54.638 54.000 0.038 0.000 0.907 924 D CB -0.174 40.656 40.800 0.049 0.000 0.899 924 D HN 0.417 nan 8.370 nan 0.000 0.527 925 M N -0.531 119.083 119.600 0.023 0.000 2.494 925 M HA 0.063 4.559 4.480 0.027 0.000 0.232 925 M C -0.004 176.292 176.300 -0.006 0.000 1.137 925 M CA -0.028 55.243 55.300 -0.048 0.000 1.012 925 M CB -0.685 31.865 32.600 -0.083 0.000 1.567 925 M HN -0.053 nan 8.290 nan 0.000 0.486 926 Y N 0.233 120.486 120.300 -0.079 0.000 2.376 926 Y HA 0.490 5.056 4.550 0.027 0.000 0.340 926 Y C -0.817 175.029 175.900 -0.089 0.000 0.965 926 Y CA -0.869 57.201 58.100 -0.051 0.000 1.078 926 Y CB 1.384 39.870 38.460 0.042 0.000 1.193 926 Y HN -0.122 nan 8.280 nan 0.000 0.452 927 T N 9.043 123.157 114.554 -0.734 0.000 2.770 927 T HA 0.284 4.651 4.350 0.027 0.000 0.297 927 T C -2.707 171.244 174.700 -1.249 0.000 0.997 927 T CA -1.469 60.118 62.100 -0.856 0.000 0.949 927 T CB 1.016 69.424 68.868 -0.765 0.000 0.941 927 T HN 0.458 nan 8.240 nan 0.000 0.457 928 P HA 0.140 nan 4.420 nan 0.000 0.220 928 P C -0.651 176.509 177.300 -0.234 0.000 1.806 928 P CA -0.467 62.184 63.100 -0.749 0.000 0.976 928 P CB -0.614 30.836 31.700 -0.418 0.000 1.952 929 Y N -0.138 120.094 120.300 -0.114 0.000 2.712 929 Y HA -0.105 4.461 4.550 0.027 0.000 0.333 929 Y C 2.312 178.268 175.900 0.093 0.000 1.225 929 Y CA -0.428 57.671 58.100 -0.002 0.000 1.499 929 Y CB 0.518 38.903 38.460 -0.126 0.000 1.288 929 Y HN -0.059 nan 8.280 nan 0.000 0.575 930 V N 3.418 123.568 119.914 0.393 0.000 2.332 930 V HA -0.308 3.828 4.120 0.027 0.000 0.248 930 V C 0.501 176.776 176.094 0.301 0.000 1.055 930 V CA 1.521 64.028 62.300 0.345 0.000 1.038 930 V CB -0.540 31.518 31.823 0.393 0.000 0.651 930 V HN 0.589 nan 8.190 nan 0.000 0.450 931 F N 2.997 123.008 119.950 0.101 0.000 2.371 931 F HA 0.541 5.084 4.527 0.027 0.000 0.363 931 F C -2.561 173.266 175.800 0.045 0.000 1.122 931 F CA -3.425 54.586 58.000 0.018 0.000 1.129 931 F CB 0.885 39.798 39.000 -0.144 0.000 1.173 931 F HN -0.028 nan 8.300 nan 0.000 0.489 932 P HA 0.284 nan 4.420 nan 0.000 0.271 932 P C -1.048 175.928 177.300 -0.541 0.000 1.218 932 P CA 0.042 62.893 63.100 -0.415 0.000 0.780 932 P CB 1.359 32.875 31.700 -0.307 0.000 0.901 933 S N -0.028 115.550 115.700 -0.203 0.000 2.703 933 S HA 0.420 4.906 4.470 0.027 0.000 0.273 933 S C -0.838 173.754 174.600 -0.013 0.000 1.178 933 S CA -0.948 57.175 58.200 -0.128 0.000 0.838 933 S CB 0.344 63.494 63.200 -0.084 0.000 1.178 933 S HN 0.330 nan 8.310 nan 0.000 0.494 934 E N 1.175 121.378 120.200 0.004 0.000 2.502 934 E HA 0.364 4.730 4.350 0.027 0.000 0.261 934 E C -0.188 176.465 176.600 0.087 0.000 0.974 934 E CA 0.757 57.186 56.400 0.050 0.000 0.936 934 E CB -0.233 29.518 29.700 0.085 0.000 0.926 934 E HN 0.779 nan 8.360 nan 0.000 0.459 935 N N 1.578 120.361 118.700 0.139 0.000 3.046 935 N HA 0.502 5.258 4.740 0.027 0.000 0.243 935 N C 0.218 175.782 175.510 0.090 0.000 1.452 935 N CA -0.590 52.580 53.050 0.200 0.000 0.882 935 N CB 0.994 39.596 38.487 0.191 0.000 1.425 935 N HN 0.698 nan 8.380 nan 0.000 0.517 936 G N -1.348 107.469 108.800 0.030 0.000 2.184 936 G HA2 -0.267 3.709 3.960 0.027 0.000 0.264 936 G HA3 -0.267 3.709 3.960 0.027 0.000 0.264 936 G C -0.220 174.412 174.900 -0.448 0.000 0.975 936 G CA 0.401 45.390 45.100 -0.185 0.000 0.642 936 G HN 0.679 nan 8.290 nan 0.000 0.536 937 L N 0.241 121.117 121.223 -0.579 0.000 2.506 937 L HA 0.640 4.996 4.340 0.027 0.000 0.281 937 L C 0.732 177.013 176.870 -0.983 0.000 1.228 937 L CA 0.501 54.755 54.840 -0.977 0.000 0.850 937 L CB 0.549 41.685 42.059 -1.539 0.000 1.110 937 L HN 0.266 nan 8.230 nan 0.000 0.496 938 R N 2.370 122.216 120.500 -1.090 0.000 2.513 938 R HA 0.487 4.843 4.340 0.027 0.000 0.301 938 R C -0.995 174.947 176.300 -0.596 0.000 0.968 938 R CA -0.275 55.307 56.100 -0.864 0.000 0.872 938 R CB 1.282 30.856 30.300 -1.209 0.000 1.177 938 R HN 0.708 nan 8.270 nan 0.000 0.444 939 C N 0.542 119.639 119.300 -0.339 0.000 2.380 939 C HA 0.683 5.159 4.460 0.027 0.000 0.393 939 C C 1.337 176.295 174.990 -0.054 0.000 1.284 939 C CA -0.030 58.872 59.018 -0.193 0.000 2.033 939 C CB 1.266 28.921 27.740 -0.141 0.000 2.165 939 C HN 1.030 nan 8.230 nan 0.000 0.540 940 G N 1.739 110.526 108.800 -0.022 0.000 2.379 940 G HA2 -0.195 3.781 3.960 0.027 0.000 0.297 940 G HA3 -0.195 3.781 3.960 0.027 0.000 0.297 940 G C -0.014 174.927 174.900 0.068 0.000 1.004 940 G CA 0.641 45.782 45.100 0.069 0.000 0.921 940 G HN 0.807 nan 8.290 nan 0.000 0.511 941 T N 0.031 114.490 114.554 -0.159 0.000 2.817 941 T HA 0.497 4.863 4.350 0.027 0.000 0.293 941 T C 1.343 175.730 174.700 -0.522 0.000 0.964 941 T CA -0.433 61.496 62.100 -0.283 0.000 1.085 941 T CB 1.234 69.936 68.868 -0.277 0.000 0.921 941 T HN 0.265 nan 8.240 nan 0.000 0.502 942 R N 1.547 121.952 120.500 -0.159 0.000 2.373 942 R HA 0.289 4.645 4.340 0.027 0.000 0.221 942 R C 0.397 176.739 176.300 0.070 0.000 0.893 942 R CA 0.070 56.152 56.100 -0.030 0.000 1.049 942 R CB 0.546 30.957 30.300 0.185 0.000 1.119 942 R HN 0.719 nan 8.270 nan 0.000 0.535 943 E N 0.682 120.922 120.200 0.067 0.000 2.321 943 E HA 0.330 4.696 4.350 0.027 0.000 0.281 943 E C -1.865 174.868 176.600 0.222 0.000 0.910 943 E CA -0.670 55.850 56.400 0.201 0.000 0.770 943 E CB 1.521 31.307 29.700 0.143 0.000 1.225 943 E HN -0.085 nan 8.360 nan 0.000 0.417 944 L N 4.068 125.481 121.223 0.318 0.000 2.385 944 L HA 0.616 4.972 4.340 0.027 0.000 0.273 944 L C -1.794 175.261 176.870 0.309 0.000 0.990 944 L CA -0.412 54.546 54.840 0.196 0.000 0.821 944 L CB 1.780 43.809 42.059 -0.050 0.000 1.279 944 L HN 0.516 nan 8.230 nan 0.000 0.412 945 N N 4.325 123.182 118.700 0.263 0.000 2.296 945 N HA 0.428 5.185 4.740 0.027 0.000 0.294 945 N C -2.017 173.721 175.510 0.381 0.000 1.033 945 N CA -0.280 52.934 53.050 0.273 0.000 0.839 945 N CB 2.329 40.917 38.487 0.169 0.000 1.395 945 N HN 0.592 nan 8.380 nan 0.000 0.479 946 Y N 0.982 121.430 120.300 0.247 0.000 2.358 946 Y HA 0.406 4.972 4.550 0.027 0.000 0.324 946 Y C 0.577 176.592 175.900 0.192 0.000 1.123 946 Y CA 0.210 58.451 58.100 0.235 0.000 1.067 946 Y CB 0.693 39.352 38.460 0.331 0.000 1.230 946 Y HN 0.854 nan 8.280 nan 0.000 0.429 947 G N 6.428 115.019 108.800 -0.348 0.000 2.574 947 G HA2 -0.291 3.686 3.960 0.027 0.000 0.286 947 G HA3 -0.291 3.686 3.960 0.027 0.000 0.286 947 G C -1.767 173.015 174.900 -0.196 0.000 1.212 947 G CA 0.075 44.985 45.100 -0.317 0.000 0.979 947 G HN 0.596 nan 8.290 nan 0.000 0.557 948 P HA 0.145 nan 4.420 nan 0.000 0.249 948 P C 0.175 177.220 177.300 -0.425 0.000 1.229 948 P CA 0.726 63.611 63.100 -0.357 0.000 0.788 948 P CB 0.002 31.417 31.700 -0.475 0.000 1.072 949 H N 0.417 119.405 119.070 -0.136 0.000 2.467 949 H HA 0.450 5.022 4.556 0.027 0.000 0.331 949 H C -0.101 174.934 175.328 -0.489 0.000 1.120 949 H CA -0.105 55.719 56.048 -0.374 0.000 1.270 949 H CB 1.779 31.061 29.762 -0.800 0.000 1.466 949 H HN 0.079 nan 8.280 nan 0.000 0.504 950 Q N 2.689 122.238 119.800 -0.419 0.000 2.347 950 Q HA 0.267 4.623 4.340 0.027 0.000 0.271 950 Q C -1.604 174.198 176.000 -0.331 0.000 1.064 950 Q CA -0.732 54.940 55.803 -0.217 0.000 0.800 950 Q CB 2.146 30.870 28.738 -0.023 0.000 1.304 950 Q HN 0.576 nan 8.270 nan 0.000 0.438 951 W N 3.522 124.785 121.300 -0.061 0.000 2.785 951 W HA 0.582 5.258 4.660 0.027 0.000 0.333 951 W C -0.293 176.300 176.519 0.123 0.000 1.062 951 W CA -0.740 56.538 57.345 -0.112 0.000 1.233 951 W CB 2.163 31.349 29.460 -0.457 0.000 1.413 951 W HN 0.570 nan 8.180 nan 0.000 0.489 952 R N 0.406 121.134 120.500 0.380 0.000 2.807 952 R HA 0.801 5.157 4.340 0.027 0.000 0.276 952 R C 0.187 176.768 176.300 0.468 0.000 0.979 952 R CA -0.369 55.978 56.100 0.413 0.000 0.928 952 R CB 2.445 32.900 30.300 0.258 0.000 1.191 952 R HN 0.749 nan 8.270 nan 0.000 0.471 953 G N 0.579 109.652 108.800 0.455 0.000 2.534 953 G HA2 -0.002 3.974 3.960 0.027 0.000 0.142 953 G HA3 -0.002 3.974 3.960 0.027 0.000 0.142 953 G C -1.776 173.303 174.900 0.300 0.000 1.178 953 G CA -0.363 44.982 45.100 0.408 0.000 1.037 953 G HN 0.507 nan 8.290 nan 0.000 0.474 954 D N 0.137 120.733 120.400 0.326 0.000 2.381 954 D HA 0.594 5.250 4.640 0.027 0.000 0.245 954 D C -0.576 175.765 176.300 0.068 0.000 1.297 954 D CA -0.461 53.590 54.000 0.085 0.000 0.931 954 D CB 0.052 40.920 40.800 0.113 0.000 1.334 954 D HN 0.565 nan 8.370 nan 0.000 0.535 955 F N -0.384 119.566 119.950 -0.001 0.000 2.894 955 F HA 0.715 5.258 4.527 0.027 0.000 0.332 955 F C -0.919 174.837 175.800 -0.073 0.000 1.192 955 F CA -1.063 56.870 58.000 -0.111 0.000 0.980 955 F CB 0.650 39.576 39.000 -0.124 0.000 1.448 955 F HN -0.174 nan 8.300 nan 0.000 0.514 956 Q N 1.420 121.293 119.800 0.121 0.000 2.348 956 Q HA 0.642 4.998 4.340 0.027 0.000 0.271 956 Q C -1.277 174.794 176.000 0.118 0.000 1.067 956 Q CA -0.537 55.248 55.803 -0.030 0.000 0.839 956 Q CB 2.687 31.309 28.738 -0.193 0.000 1.354 956 Q HN 0.845 nan 8.270 nan 0.000 0.447 957 F N -1.072 118.757 119.950 -0.203 0.000 2.668 957 F HA 0.732 5.275 4.527 0.027 0.000 0.309 957 F C -1.627 173.951 175.800 -0.370 0.000 1.117 957 F CA -1.091 56.754 58.000 -0.257 0.000 0.951 957 F CB 1.550 40.432 39.000 -0.196 0.000 1.323 957 F HN 0.572 nan 8.300 nan 0.000 0.451 958 N N 1.786 120.272 118.700 -0.358 0.000 2.262 958 N HA 0.742 5.498 4.740 0.027 0.000 0.295 958 N C -2.074 173.362 175.510 -0.124 0.000 1.161 958 N CA -0.751 52.075 53.050 -0.372 0.000 0.767 958 N CB 2.649 40.940 38.487 -0.327 0.000 1.499 958 N HN 1.121 nan 8.380 nan 0.000 0.476 959 I N 0.517 121.009 120.570 -0.129 0.000 2.649 959 I HA 0.646 4.833 4.170 0.027 0.000 0.289 959 I C -1.418 174.607 176.117 -0.155 0.000 1.222 959 I CA 0.099 61.297 61.300 -0.170 0.000 1.046 959 I CB 1.222 39.066 38.000 -0.259 0.000 1.272 959 I HN 1.059 nan 8.210 nan 0.000 0.425 960 S N 6.222 121.843 115.700 -0.133 0.000 2.683 960 S HA 0.516 5.002 4.470 0.027 0.000 0.269 960 S C -0.293 174.186 174.600 -0.201 0.000 1.165 960 S CA -0.979 57.129 58.200 -0.153 0.000 0.840 960 S CB 1.620 64.774 63.200 -0.076 0.000 1.169 960 S HN 0.607 nan 8.310 nan 0.000 0.490 961 R N -0.089 120.117 120.500 -0.488 0.000 2.356 961 R HA 0.269 4.625 4.340 0.027 0.000 0.234 961 R C -0.943 175.023 176.300 -0.557 0.000 0.929 961 R CA 0.268 56.062 56.100 -0.510 0.000 1.084 961 R CB -0.902 28.995 30.300 -0.671 0.000 1.105 961 R HN 0.662 nan 8.270 nan 0.000 0.515 962 Y N 0.118 120.380 120.300 -0.063 0.000 2.350 962 Y HA 0.241 4.807 4.550 0.027 0.000 0.338 962 Y C 0.656 176.348 175.900 -0.346 0.000 0.961 962 Y CA -1.165 56.814 58.100 -0.202 0.000 1.100 962 Y CB 1.391 39.675 38.460 -0.293 0.000 1.179 962 Y HN -0.104 nan 8.280 nan 0.000 0.454 963 S N 1.473 116.815 115.700 -0.596 0.000 2.593 963 S HA 0.059 4.545 4.470 0.027 0.000 0.269 963 S C 0.939 175.187 174.600 -0.587 0.000 1.334 963 S CA -0.798 56.676 58.200 -1.209 0.000 1.015 963 S CB 1.147 63.371 63.200 -1.627 0.000 0.912 963 S HN 0.716 nan 8.310 nan 0.000 0.541 964 Q N 0.700 120.178 119.800 -0.536 0.000 2.135 964 Q HA -0.224 4.133 4.340 0.027 0.000 0.204 964 Q C 2.200 178.057 176.000 -0.239 0.000 0.981 964 Q CA 1.957 57.589 55.803 -0.285 0.000 0.856 964 Q CB -0.548 28.058 28.738 -0.220 0.000 0.902 964 Q HN 0.964 nan 8.270 nan 0.000 0.425 965 Q N 0.436 120.050 119.800 -0.310 0.000 2.084 965 Q HA -0.214 4.142 4.340 0.027 0.000 0.202 965 Q C 2.124 178.020 176.000 -0.174 0.000 0.978 965 Q CA 1.596 57.282 55.803 -0.196 0.000 0.844 965 Q CB 0.030 28.651 28.738 -0.195 0.000 0.898 965 Q HN 0.431 nan 8.270 nan 0.000 0.426 966 Q N 0.028 119.694 119.800 -0.223 0.000 2.079 966 Q HA -0.157 4.199 4.340 0.027 0.000 0.200 966 Q C 2.142 178.030 176.000 -0.188 0.000 0.974 966 Q CA 1.202 56.893 55.803 -0.185 0.000 0.840 966 Q CB -0.077 28.529 28.738 -0.219 0.000 0.898 966 Q HN 0.479 nan 8.270 nan 0.000 0.430 967 L N 0.834 121.939 121.223 -0.198 0.000 2.083 967 L HA -0.203 4.153 4.340 0.027 0.000 0.209 967 L C 2.736 179.492 176.870 -0.190 0.000 1.083 967 L CA 1.550 56.271 54.840 -0.198 0.000 0.752 967 L CB -0.471 41.500 42.059 -0.147 0.000 0.899 967 L HN 0.502 nan 8.230 nan 0.000 0.433 968 M N -1.642 117.873 119.600 -0.142 0.000 2.492 968 M HA -0.086 4.410 4.480 0.027 0.000 0.262 968 M C 1.191 177.434 176.300 -0.095 0.000 1.090 968 M CA 1.578 56.811 55.300 -0.112 0.000 1.110 968 M CB -0.291 32.256 32.600 -0.088 0.000 1.407 968 M HN 0.153 nan 8.290 nan 0.000 0.470 969 E N 0.987 121.129 120.200 -0.097 0.000 2.474 969 E HA 0.123 4.489 4.350 0.027 0.000 0.195 969 E C -0.404 176.166 176.600 -0.050 0.000 1.039 969 E CA 0.051 56.416 56.400 -0.059 0.000 0.881 969 E CB 0.604 30.273 29.700 -0.051 0.000 0.970 969 E HN 0.402 nan 8.360 nan 0.000 0.486 970 T N 0.199 114.695 114.554 -0.096 0.000 2.797 970 T HA 0.121 4.487 4.350 0.027 0.000 0.279 970 T C 0.960 175.607 174.700 -0.088 0.000 0.991 970 T CA -0.518 61.525 62.100 -0.094 0.000 0.979 970 T CB 1.685 70.457 68.868 -0.160 0.000 0.943 970 T HN 0.012 nan 8.240 nan 0.000 0.444 971 S N 1.574 117.331 115.700 0.094 0.000 2.503 971 S HA 0.138 4.624 4.470 0.027 0.000 0.215 971 S C 0.200 174.953 174.600 0.254 0.000 1.003 971 S CA 0.081 58.452 58.200 0.285 0.000 0.910 971 S CB -0.163 63.333 63.200 0.494 0.000 0.790 971 S HN 0.729 nan 8.310 nan 0.000 0.514 972 H N 0.759 119.890 119.070 0.102 0.000 2.759 972 H HA 0.487 5.059 4.556 0.027 0.000 0.354 972 H C 0.912 176.246 175.328 0.010 0.000 1.074 972 H CA -0.795 55.363 56.048 0.184 0.000 1.226 972 H CB 1.535 31.411 29.762 0.189 0.000 1.648 972 H HN 0.127 nan 8.280 nan 0.000 0.529 973 R N 2.036 122.657 120.500 0.202 0.000 2.127 973 R HA -0.183 4.173 4.340 0.027 0.000 0.238 973 R C 1.306 177.619 176.300 0.023 0.000 1.134 973 R CA 1.902 58.047 56.100 0.074 0.000 0.975 973 R CB -0.468 29.915 30.300 0.138 0.000 0.865 973 R HN 0.776 nan 8.270 nan 0.000 0.447 974 H N 1.380 120.468 119.070 0.030 0.000 2.489 974 H HA -0.024 4.548 4.556 0.027 0.000 0.293 974 H C 1.424 176.681 175.328 -0.118 0.000 1.066 974 H CA 0.993 57.017 56.048 -0.041 0.000 1.305 974 H CB -0.227 29.512 29.762 -0.039 0.000 1.386 974 H HN 0.337 nan 8.280 nan 0.000 0.551 975 L N 0.968 121.781 121.223 -0.683 0.000 2.611 975 L HA 0.226 4.583 4.340 0.027 0.000 0.229 975 L C 0.621 177.345 176.870 -0.245 0.000 1.137 975 L CA -0.206 54.329 54.840 -0.508 0.000 0.901 975 L CB 0.046 41.793 42.059 -0.520 0.000 1.098 975 L HN 0.025 nan 8.230 nan 0.000 0.456 976 L N 0.699 121.767 121.223 -0.258 0.000 2.436 976 L HA 0.196 4.552 4.340 0.027 0.000 0.265 976 L C 0.172 176.991 176.870 -0.084 0.000 1.168 976 L CA -0.170 54.480 54.840 -0.315 0.000 0.815 976 L CB 0.424 42.015 42.059 -0.779 0.000 1.109 976 L HN 0.215 nan 8.230 nan 0.000 0.462 977 H N 1.224 120.295 119.070 0.002 0.000 2.759 977 H HA 0.549 5.122 4.556 0.027 0.000 0.354 977 H C -0.925 174.561 175.328 0.263 0.000 1.074 977 H CA -1.222 54.895 56.048 0.115 0.000 1.226 977 H CB 1.261 31.039 29.762 0.026 0.000 1.648 977 H HN 0.677 nan 8.280 nan 0.000 0.529 978 A N 3.768 126.708 122.820 0.198 0.000 2.548 978 A HA 0.090 4.426 4.320 0.027 0.000 0.247 978 A C 0.413 178.007 177.584 0.017 0.000 1.067 978 A CA -0.090 51.899 52.037 -0.081 0.000 0.757 978 A CB -0.098 18.848 19.000 -0.092 0.000 0.996 978 A HN 0.833 nan 8.150 nan 0.000 0.504 979 E N 1.114 121.300 120.200 -0.023 0.000 2.385 979 E HA 0.193 4.559 4.350 0.027 0.000 0.254 979 E C 0.002 176.631 176.600 0.047 0.000 1.228 979 E CA -0.625 55.839 56.400 0.106 0.000 0.956 979 E CB 0.638 30.486 29.700 0.247 0.000 1.116 979 E HN 0.797 nan 8.360 nan 0.000 0.507 980 E N -0.042 120.187 120.200 0.049 0.000 2.392 980 E HA 0.218 4.584 4.350 0.027 0.000 0.264 980 E C 0.306 176.860 176.600 -0.078 0.000 1.024 980 E CA 0.565 56.958 56.400 -0.012 0.000 0.903 980 E CB 0.469 30.160 29.700 -0.017 0.000 0.963 980 E HN 0.659 nan 8.360 nan 0.000 0.432 981 G N 2.529 111.284 108.800 -0.075 0.000 2.645 981 G HA2 -0.233 3.743 3.960 0.027 0.000 0.239 981 G HA3 -0.233 3.743 3.960 0.027 0.000 0.239 981 G C -0.625 174.206 174.900 -0.116 0.000 1.331 981 G CA -0.140 44.896 45.100 -0.107 0.000 0.890 981 G HN 0.611 nan 8.290 nan 0.000 0.572 982 T N 0.089 114.549 114.554 -0.155 0.000 2.928 982 T HA 0.490 4.856 4.350 0.027 0.000 0.296 982 T C -0.877 173.677 174.700 -0.244 0.000 1.000 982 T CA -0.199 61.821 62.100 -0.133 0.000 0.989 982 T CB 1.349 70.216 68.868 -0.000 0.000 1.005 982 T HN 0.580 nan 8.240 nan 0.000 0.442 983 W N 3.246 124.448 121.300 -0.164 0.000 2.335 983 W HA 0.597 5.274 4.660 0.027 0.000 0.306 983 W C -0.306 176.078 176.519 -0.225 0.000 1.216 983 W CA -0.683 56.563 57.345 -0.166 0.000 1.237 983 W CB 0.723 30.096 29.460 -0.146 0.000 1.243 983 W HN 0.340 nan 8.180 nan 0.000 0.493 984 L N 5.863 127.065 121.223 -0.035 0.000 2.305 984 L HA 0.472 4.828 4.340 0.027 0.000 0.284 984 L C -0.845 175.925 176.870 -0.166 0.000 1.013 984 L CA -0.512 54.197 54.840 -0.218 0.000 0.819 984 L CB 0.689 42.480 42.059 -0.447 0.000 1.227 984 L HN 0.315 nan 8.230 nan 0.000 0.417 985 N N 6.991 125.583 118.700 -0.179 0.000 2.479 985 N HA 0.426 5.182 4.740 0.027 0.000 0.261 985 N C -1.141 174.228 175.510 -0.236 0.000 0.979 985 N CA -0.289 52.654 53.050 -0.177 0.000 0.930 985 N CB 2.168 40.575 38.487 -0.133 0.000 1.172 985 N HN 0.508 nan 8.380 nan 0.000 0.499 986 I N 2.066 122.452 120.570 -0.306 0.000 2.354 986 I HA 0.227 4.413 4.170 0.027 0.000 0.286 986 I C -0.574 175.354 176.117 -0.316 0.000 1.007 986 I CA -0.478 60.601 61.300 -0.368 0.000 1.167 986 I CB 1.471 39.100 38.000 -0.619 0.000 1.320 986 I HN 0.171 nan 8.210 nan 0.000 0.458 987 D N 4.665 124.919 120.400 -0.243 0.000 2.217 987 D HA 0.286 4.942 4.640 0.027 0.000 0.243 987 D C 1.043 177.046 176.300 -0.496 0.000 1.054 987 D CA -0.208 53.586 54.000 -0.344 0.000 0.838 987 D CB 2.530 43.227 40.800 -0.171 0.000 1.162 987 D HN 0.692 nan 8.370 nan 0.000 0.472 988 G N 1.276 109.471 108.800 -1.009 0.000 2.430 988 G HA2 -0.014 3.962 3.960 0.027 0.000 0.216 988 G HA3 -0.014 3.962 3.960 0.027 0.000 0.216 988 G C 0.125 174.294 174.900 -1.218 0.000 1.146 988 G CA 0.522 44.883 45.100 -1.232 0.000 0.793 988 G HN 0.370 nan 8.290 nan 0.000 0.537 989 F N -2.060 117.692 119.950 -0.331 0.000 2.601 989 F HA 0.590 5.133 4.527 0.027 0.000 0.309 989 F C -0.547 175.155 175.800 -0.163 0.000 1.089 989 F CA -1.149 56.736 58.000 -0.192 0.000 0.940 989 F CB 2.183 40.984 39.000 -0.332 0.000 1.273 989 F HN 0.015 nan 8.300 nan 0.000 0.450 990 H N 1.898 120.976 119.070 0.012 0.000 2.771 990 H HA 0.535 5.107 4.556 0.027 0.000 0.361 990 H C -0.826 174.530 175.328 0.046 0.000 1.108 990 H CA -0.882 55.153 56.048 -0.021 0.000 1.201 990 H CB 1.877 31.613 29.762 -0.044 0.000 1.681 990 H HN 0.762 nan 8.280 nan 0.000 0.534 991 M N 3.347 122.891 119.600 -0.094 0.000 2.240 991 M HA 0.306 4.803 4.480 0.027 0.000 0.333 991 M C 0.431 176.859 176.300 0.214 0.000 1.110 991 M CA 0.187 55.516 55.300 0.049 0.000 1.173 991 M CB 0.409 32.945 32.600 -0.106 0.000 1.458 991 M HN 0.833 nan 8.290 nan 0.000 0.458 992 G N 2.847 111.743 108.800 0.161 0.000 2.664 992 G HA2 0.261 4.237 3.960 0.027 0.000 0.242 992 G HA3 0.261 4.237 3.960 0.027 0.000 0.242 992 G C 0.598 175.484 174.900 -0.023 0.000 1.225 992 G CA -0.372 44.753 45.100 0.042 0.000 0.849 992 G HN 0.977 nan 8.290 nan 0.000 0.581 993 I N -1.387 119.120 120.570 -0.105 0.000 3.645 993 I HA 0.410 4.596 4.170 0.027 0.000 0.300 993 I C 1.216 177.270 176.117 -0.104 0.000 1.260 993 I CA 0.412 61.614 61.300 -0.164 0.000 1.365 993 I CB -0.574 37.230 38.000 -0.326 0.000 1.077 993 I HN 0.938 nan 8.210 nan 0.000 0.439 994 G N 1.572 110.331 108.800 -0.068 0.000 2.645 994 G HA2 0.033 4.009 3.960 0.027 0.000 0.246 994 G HA3 0.033 4.009 3.960 0.027 0.000 0.246 994 G C 0.546 175.449 174.900 0.004 0.000 1.322 994 G CA 0.109 45.206 45.100 -0.005 0.000 0.898 994 G HN 1.341 nan 8.290 nan 0.000 0.573 995 G N -2.418 106.401 108.800 0.031 0.000 2.559 995 G HA2 0.014 3.990 3.960 0.027 0.000 0.202 995 G HA3 0.014 3.990 3.960 0.027 0.000 0.202 995 G C 0.674 175.637 174.900 0.104 0.000 0.992 995 G CA 0.912 46.041 45.100 0.048 0.000 0.764 995 G HN 0.965 nan 8.290 nan 0.000 0.525 996 D N 1.296 121.778 120.400 0.137 0.000 2.172 996 D HA 0.059 4.715 4.640 0.027 0.000 0.196 996 D C 1.055 177.400 176.300 0.075 0.000 0.999 996 D CA 2.143 56.285 54.000 0.236 0.000 0.856 996 D CB 0.102 41.046 40.800 0.241 0.000 0.934 996 D HN 0.815 nan 8.370 nan 0.000 0.453 997 D N -3.466 116.774 120.400 -0.266 0.000 2.596 997 D HA 0.384 5.040 4.640 0.027 0.000 0.262 997 D C -0.670 175.177 176.300 -0.754 0.000 1.210 997 D CA -0.729 52.693 54.000 -0.963 0.000 0.873 997 D CB 1.088 40.738 40.800 -1.917 0.000 1.408 997 D HN -0.304 nan 8.370 nan 0.000 0.441 998 S N -0.709 114.432 115.700 -0.931 0.000 2.664 998 S HA 0.209 4.695 4.470 0.027 0.000 0.245 998 S C -0.527 174.062 174.600 -0.018 0.000 1.019 998 S CA -0.683 57.411 58.200 -0.175 0.000 0.996 998 S CB -0.416 62.944 63.200 0.267 0.000 0.878 998 S HN 0.629 nan 8.310 nan 0.000 0.493 999 W N 1.450 122.683 121.300 -0.110 0.000 2.467 999 W HA 0.595 5.270 4.660 0.025 0.000 0.369 999 W C -0.026 176.428 176.519 -0.109 0.000 0.938 999 W CA -0.604 56.655 57.345 -0.143 0.000 1.845 999 W CB -0.543 28.770 29.460 -0.245 0.000 1.167 999 W HN 0.147 nan 8.180 nan 0.000 0.558 1000 S N -1.279 114.294 115.700 -0.211 0.000 2.565 1000 S HA 0.628 5.114 4.470 0.027 0.000 0.269 1000 S C -3.197 171.345 174.600 -0.096 0.000 1.153 1000 S CA -1.631 56.494 58.200 -0.125 0.000 0.835 1000 S CB 1.702 64.847 63.200 -0.093 0.000 1.122 1000 S HN -0.215 nan 8.310 nan 0.000 0.462 1001 P HA 0.230 nan 4.420 nan 0.000 0.266 1001 P C 0.339 177.694 177.300 0.092 0.000 1.215 1001 P CA -0.040 63.087 63.100 0.044 0.000 0.763 1001 P CB 0.788 32.415 31.700 -0.121 0.000 0.806 1002 S N 0.872 116.666 115.700 0.157 0.000 2.733 1002 S HA 0.132 4.618 4.470 0.027 0.000 0.247 1002 S C 0.231 174.919 174.600 0.145 0.000 1.043 1002 S CA -0.257 58.003 58.200 0.099 0.000 1.066 1002 S CB -0.196 63.013 63.200 0.015 0.000 1.045 1002 S HN 0.106 nan 8.310 nan 0.000 0.586 1003 V N 2.966 123.006 119.914 0.211 0.000 2.427 1003 V HA 0.392 4.528 4.120 0.027 0.000 0.268 1003 V C 0.761 177.001 176.094 0.243 0.000 1.046 1003 V CA -0.303 62.103 62.300 0.176 0.000 0.970 1003 V CB 0.877 32.730 31.823 0.050 0.000 1.001 1003 V HN 0.504 nan 8.190 nan 0.000 0.476 1004 S N 4.100 119.961 115.700 0.267 0.000 2.568 1004 S HA 0.301 4.787 4.470 0.027 0.000 0.282 1004 S C 1.580 176.322 174.600 0.236 0.000 1.338 1004 S CA 0.081 58.435 58.200 0.257 0.000 1.045 1004 S CB 1.139 64.522 63.200 0.305 0.000 0.873 1004 S HN 0.994 nan 8.310 nan 0.000 0.516 1005 A N 3.601 126.516 122.820 0.160 0.000 1.958 1005 A HA -0.170 4.166 4.320 0.027 0.000 0.221 1005 A C 2.013 179.624 177.584 0.044 0.000 1.178 1005 A CA 1.971 54.086 52.037 0.130 0.000 0.642 1005 A CB -0.706 18.353 19.000 0.099 0.000 0.816 1005 A HN 0.959 nan 8.150 nan 0.000 0.453 1006 E N -0.883 119.272 120.200 -0.074 0.000 2.409 1006 E HA -0.117 4.249 4.350 0.027 0.000 0.198 1006 E C 0.652 177.003 176.600 -0.416 0.000 1.024 1006 E CA 0.720 56.955 56.400 -0.276 0.000 0.861 1006 E CB -0.463 28.971 29.700 -0.444 0.000 0.788 1006 E HN 0.677 nan 8.360 nan 0.000 0.521 1007 F N 1.245 121.249 119.950 0.089 0.000 2.647 1007 F HA 0.282 4.825 4.527 0.026 0.000 0.300 1007 F C 0.742 176.582 175.800 0.067 0.000 1.106 1007 F CA -0.506 57.546 58.000 0.086 0.000 1.313 1007 F CB 0.501 39.550 39.000 0.082 0.000 1.007 1007 F HN -0.197 nan 8.300 nan 0.000 0.536 1008 Q N 1.085 120.990 119.800 0.175 0.000 2.230 1008 Q HA 0.424 4.780 4.340 0.027 0.000 0.248 1008 Q C -0.202 175.851 176.000 0.090 0.000 0.915 1008 Q CA -0.521 55.377 55.803 0.159 0.000 0.900 1008 Q CB 1.870 30.803 28.738 0.325 0.000 1.229 1008 Q HN 0.257 nan 8.270 nan 0.000 0.439 1009 L N 2.428 123.693 121.223 0.071 0.000 2.422 1009 L HA 0.133 4.490 4.340 0.027 0.000 0.256 1009 L C 0.639 177.477 176.870 -0.054 0.000 1.202 1009 L CA -0.076 54.779 54.840 0.025 0.000 1.119 1009 L CB -0.264 41.700 42.059 -0.159 0.000 1.383 1009 L HN 0.697 nan 8.230 nan 0.000 0.411 1010 S N -0.961 114.606 115.700 -0.222 0.000 2.554 1010 S HA 0.142 4.628 4.470 0.027 0.000 0.226 1010 S C 1.629 176.115 174.600 -0.189 0.000 0.980 1010 S CA 0.184 58.028 58.200 -0.594 0.000 0.939 1010 S CB 0.711 63.475 63.200 -0.727 0.000 0.832 1010 S HN 0.518 nan 8.310 nan 0.000 0.486 1011 A N 1.370 124.135 122.820 -0.092 0.000 2.121 1011 A HA 0.448 4.784 4.320 0.027 0.000 0.218 1011 A C 2.070 179.467 177.584 -0.311 0.000 1.154 1011 A CA 1.260 53.096 52.037 -0.336 0.000 0.679 1011 A CB -1.251 17.279 19.000 -0.782 0.000 0.795 1011 A HN 1.476 nan 8.150 nan 0.000 0.458 1012 G N -1.113 107.610 108.800 -0.128 0.000 3.329 1012 G HA2 -0.294 3.682 3.960 0.027 0.000 0.220 1012 G HA3 -0.294 3.682 3.960 0.027 0.000 0.220 1012 G C 0.446 175.308 174.900 -0.062 0.000 1.358 1012 G CA 0.322 45.396 45.100 -0.044 0.000 0.856 1012 G HN 0.677 nan 8.290 nan 0.000 0.551 1013 R N -0.148 120.195 120.500 -0.261 0.000 2.480 1013 R HA 0.675 5.031 4.340 0.027 0.000 0.306 1013 R C -1.489 174.521 176.300 -0.483 0.000 0.958 1013 R CA -0.509 55.471 56.100 -0.200 0.000 0.861 1013 R CB 1.415 31.657 30.300 -0.095 0.000 1.171 1013 R HN 0.318 nan 8.270 nan 0.000 0.445 1014 Y N 0.534 120.823 120.300 -0.018 0.000 2.462 1014 Y HA 0.349 4.915 4.550 0.027 0.000 0.346 1014 Y C -0.322 175.733 175.900 0.258 0.000 0.976 1014 Y CA -0.826 57.230 58.100 -0.072 0.000 1.044 1014 Y CB 2.199 40.492 38.460 -0.277 0.000 1.230 1014 Y HN 0.579 nan 8.280 nan 0.000 0.455 1015 H N 2.851 122.210 119.070 0.482 0.000 2.771 1015 H HA 0.576 5.148 4.556 0.027 0.000 0.361 1015 H C -1.754 173.941 175.328 0.611 0.000 1.108 1015 H CA -0.882 55.419 56.048 0.422 0.000 1.201 1015 H CB 1.236 31.140 29.762 0.238 0.000 1.681 1015 H HN 0.582 nan 8.280 nan 0.000 0.534 1016 Y N 1.621 121.791 120.300 -0.216 0.000 2.625 1016 Y HA 0.455 5.022 4.550 0.027 0.000 0.338 1016 Y C -1.935 173.783 175.900 -0.302 0.000 1.123 1016 Y CA -1.136 56.881 58.100 -0.140 0.000 1.046 1016 Y CB 1.500 39.946 38.460 -0.023 0.000 1.299 1016 Y HN 0.744 nan 8.280 nan 0.000 0.464 1017 Q N 2.779 122.570 119.800 -0.016 0.000 2.289 1017 Q HA 0.738 5.094 4.340 0.027 0.000 0.270 1017 Q C -2.286 173.793 176.000 0.131 0.000 1.038 1017 Q CA -0.942 54.844 55.803 -0.029 0.000 0.812 1017 Q CB 2.973 31.718 28.738 0.011 0.000 1.300 1017 Q HN 0.881 nan 8.270 nan 0.000 0.427 1018 L N 1.523 122.803 121.223 0.095 0.000 2.370 1018 L HA 0.761 5.118 4.340 0.027 0.000 0.266 1018 L C -0.821 176.154 176.870 0.175 0.000 1.002 1018 L CA -1.318 53.611 54.840 0.148 0.000 0.818 1018 L CB 2.483 44.601 42.059 0.098 0.000 1.325 1018 L HN 0.470 nan 8.230 nan 0.000 0.418 1019 V N 0.927 120.973 119.914 0.220 0.000 2.409 1019 V HA 0.401 4.537 4.120 0.027 0.000 0.291 1019 V C -1.184 175.089 176.094 0.298 0.000 1.020 1019 V CA -0.405 62.033 62.300 0.230 0.000 0.848 1019 V CB 1.967 33.902 31.823 0.186 0.000 0.990 1019 V HN 0.604 nan 8.190 nan 0.000 0.430 1020 W N 6.943 128.310 121.300 0.111 0.000 2.529 1020 W HA 0.740 5.417 4.660 0.027 0.000 0.321 1020 W C -0.291 176.239 176.519 0.019 0.000 1.047 1020 W CA -1.096 56.253 57.345 0.007 0.000 1.216 1020 W CB 1.525 31.036 29.460 0.086 0.000 1.357 1020 W HN 0.886 nan 8.180 nan 0.000 0.489 1021 C N 3.402 122.994 119.300 0.487 0.000 3.314 1021 C HA 0.557 5.034 4.460 0.027 0.000 0.344 1021 C C -0.529 174.573 174.990 0.186 0.000 1.461 1021 C CA -0.874 58.321 59.018 0.295 0.000 1.249 1021 C CB 1.433 29.281 27.740 0.180 0.000 1.632 1021 C HN 0.686 nan 8.230 nan 0.000 0.452 1022 Q N 1.107 120.961 119.800 0.090 0.000 2.312 1022 Q HA 0.400 4.756 4.340 0.027 0.000 0.236 1022 Q C -0.168 175.817 176.000 -0.026 0.000 0.965 1022 Q CA -0.157 55.639 55.803 -0.012 0.000 0.894 1022 Q CB 1.014 29.732 28.738 -0.033 0.000 1.225 1022 Q HN 0.557 nan 8.270 nan 0.000 0.478 1023 K N 0.000 120.358 120.400 -0.070 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.027 0.000 0.191 1023 K CA 0.000 56.260 56.287 -0.046 0.000 0.838 1023 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543