REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jz6_1_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 0.000 176.090 176.300 -0.350 0.000 0.893 13 R CA 0.000 55.962 56.100 -0.229 0.000 0.921 13 R CB 0.000 30.165 30.300 -0.224 0.000 0.687 14 R N 1.616 121.814 120.500 -0.504 0.000 3.158 14 R HA -0.189 4.168 4.340 0.028 0.000 0.244 14 R C -0.565 175.187 176.300 -0.913 0.000 0.900 14 R CA 0.806 56.216 56.100 -1.149 0.000 0.618 14 R CB -1.173 28.575 30.300 -0.920 0.000 1.061 14 R HN 0.393 nan 8.270 nan 0.000 0.471 15 D N -0.037 120.020 120.400 -0.572 0.000 2.218 15 D HA -0.183 4.474 4.640 0.028 0.000 0.204 15 D C 1.584 177.763 176.300 -0.202 0.000 0.976 15 D CA 1.749 55.496 54.000 -0.422 0.000 0.853 15 D CB -0.120 40.248 40.800 -0.722 0.000 0.939 15 D HN 0.732 nan 8.370 nan 0.000 0.481 16 W N 1.543 122.846 121.300 0.004 0.000 3.310 16 W HA 0.169 4.845 4.660 0.028 0.000 0.259 16 W C 0.270 176.867 176.519 0.129 0.000 1.324 16 W CA -0.268 57.181 57.345 0.173 0.000 1.636 16 W CB -0.346 29.267 29.460 0.255 0.000 1.104 16 W HN -0.196 nan 8.180 nan 0.000 0.722 17 E N 1.513 121.547 120.200 -0.276 0.000 3.646 17 E HA 0.071 4.438 4.350 0.028 0.000 0.211 17 E C -0.817 175.607 176.600 -0.293 0.000 1.034 17 E CA -0.258 56.008 56.400 -0.224 0.000 1.341 17 E CB -0.211 29.334 29.700 -0.257 0.000 1.202 17 E HN 0.064 nan 8.360 nan 0.000 0.447 18 N N 0.991 119.564 118.700 -0.211 0.000 2.839 18 N HA 0.096 4.853 4.740 0.028 0.000 0.258 18 N C -2.546 172.801 175.510 -0.272 0.000 1.150 18 N CA -1.542 51.339 53.050 -0.280 0.000 0.957 18 N CB 1.529 39.865 38.487 -0.251 0.000 1.560 18 N HN -0.165 nan 8.380 nan 0.000 0.588 19 P HA 0.121 nan 4.420 nan 0.000 0.237 19 P C 1.121 178.167 177.300 -0.423 0.000 1.178 19 P CA 0.558 63.295 63.100 -0.605 0.000 0.766 19 P CB 0.150 30.955 31.700 -1.493 0.000 0.876 20 G N -0.185 108.404 108.800 -0.352 0.000 2.511 20 G HA2 -0.017 3.960 3.960 0.028 0.000 0.217 20 G HA3 -0.017 3.960 3.960 0.028 0.000 0.217 20 G C 0.394 175.203 174.900 -0.151 0.000 1.133 20 G CA 0.210 45.167 45.100 -0.239 0.000 0.792 20 G HN 0.214 nan 8.290 nan 0.000 0.539 21 V N 2.015 121.851 119.914 -0.131 0.000 2.277 21 V HA 0.287 4.424 4.120 0.028 0.000 0.269 21 V C 0.984 177.118 176.094 0.067 0.000 1.036 21 V CA 0.343 62.618 62.300 -0.042 0.000 0.821 21 V CB 0.909 32.688 31.823 -0.073 0.000 1.052 21 V HN 0.373 nan 8.190 nan 0.000 0.462 22 T N 0.643 115.239 114.554 0.070 0.000 3.023 22 T HA 0.327 4.694 4.350 0.028 0.000 0.253 22 T C 0.295 175.057 174.700 0.104 0.000 1.038 22 T CA -0.011 62.150 62.100 0.102 0.000 0.962 22 T CB 0.325 69.203 68.868 0.017 0.000 1.018 22 T HN 0.640 nan 8.240 nan 0.000 0.521 23 Q N 0.445 120.341 119.800 0.161 0.000 2.578 23 Q HA 0.707 5.063 4.340 0.028 0.000 0.284 23 Q C -2.185 173.957 176.000 0.237 0.000 0.960 23 Q CA -1.056 54.836 55.803 0.147 0.000 0.809 23 Q CB 1.021 29.763 28.738 0.006 0.000 1.462 23 Q HN 0.236 nan 8.270 nan 0.000 0.392 24 L N 1.711 123.101 121.223 0.279 0.000 2.436 24 L HA 0.614 4.971 4.340 0.028 0.000 0.268 24 L C -0.482 176.512 176.870 0.207 0.000 0.974 24 L CA -0.906 54.092 54.840 0.265 0.000 0.826 24 L CB 1.931 44.246 42.059 0.426 0.000 1.291 24 L HN 0.826 nan 8.230 nan 0.000 0.406 25 N N 0.671 119.462 118.700 0.151 0.000 2.713 25 N HA -0.221 4.536 4.740 0.028 0.000 0.251 25 N C 0.212 175.843 175.510 0.201 0.000 1.117 25 N CA 0.863 53.995 53.050 0.137 0.000 0.770 25 N CB -0.783 37.712 38.487 0.013 0.000 1.137 25 N HN 0.659 nan 8.380 nan 0.000 0.566 26 R N 0.908 121.455 120.500 0.077 0.000 2.438 26 R HA 0.374 4.731 4.340 0.028 0.000 0.287 26 R C 0.532 176.709 176.300 -0.205 0.000 1.077 26 R CA -0.363 55.550 56.100 -0.311 0.000 1.034 26 R CB 0.531 30.619 30.300 -0.354 0.000 0.993 26 R HN 0.113 nan 8.270 nan 0.000 0.459 27 L N 3.023 124.090 121.223 -0.260 0.000 2.453 27 L HA 0.330 4.687 4.340 0.028 0.000 0.261 27 L C 0.704 177.522 176.870 -0.087 0.000 1.179 27 L CA -0.644 54.132 54.840 -0.106 0.000 0.813 27 L CB 0.673 42.707 42.059 -0.043 0.000 1.110 27 L HN 0.713 nan 8.230 nan 0.000 0.466 28 A N 1.340 124.150 122.820 -0.016 0.000 2.483 28 A HA 0.497 4.833 4.320 0.028 0.000 0.238 28 A C 0.420 178.007 177.584 0.005 0.000 1.070 28 A CA 0.039 52.073 52.037 -0.005 0.000 0.770 28 A CB 0.130 19.149 19.000 0.033 0.000 1.008 28 A HN 0.833 nan 8.150 nan 0.000 0.497 29 A N 1.319 124.096 122.820 -0.072 0.000 2.366 29 A HA 0.651 4.988 4.320 0.028 0.000 0.249 29 A C 0.135 177.621 177.584 -0.163 0.000 1.084 29 A CA 0.610 52.528 52.037 -0.198 0.000 0.794 29 A CB -0.118 18.767 19.000 -0.193 0.000 1.034 29 A HN 2.005 nan 8.150 nan 0.000 0.491 30 H N -2.596 116.320 119.070 -0.256 0.000 2.969 30 H HA 0.588 5.161 4.556 0.028 0.000 0.304 30 H C -3.422 171.597 175.328 -0.517 0.000 1.400 30 H CA -1.727 54.095 56.048 -0.377 0.000 1.182 30 H CB -0.009 29.430 29.762 -0.540 0.000 1.865 30 H HN 0.383 nan 8.280 nan 0.000 0.512 31 P HA 0.196 nan 4.420 nan 0.000 0.272 31 P C -2.569 174.527 177.300 -0.340 0.000 1.240 31 P CA -1.319 61.555 63.100 -0.377 0.000 0.791 31 P CB -0.232 31.164 31.700 -0.507 0.000 0.978 32 P HA 0.081 nan 4.420 nan 0.000 0.263 32 P C -0.713 176.773 177.300 0.311 0.000 1.195 32 P CA 1.014 64.137 63.100 0.038 0.000 0.762 32 P CB -0.063 31.706 31.700 0.116 0.000 0.799 33 F N 1.430 121.481 119.950 0.169 0.000 2.523 33 F HA 0.623 5.166 4.527 0.028 0.000 0.329 33 F C 1.054 176.790 175.800 -0.107 0.000 1.061 33 F CA -0.982 57.058 58.000 0.066 0.000 0.967 33 F CB 2.066 41.061 39.000 -0.008 0.000 1.218 33 F HN 0.215 nan 8.300 nan 0.000 0.480 34 A N 0.223 122.968 122.820 -0.125 0.000 2.710 34 A HA 0.226 4.563 4.320 0.028 0.000 0.212 34 A C 0.520 177.820 177.584 -0.473 0.000 1.358 34 A CA 0.399 52.144 52.037 -0.487 0.000 1.048 34 A CB -0.180 18.146 19.000 -1.124 0.000 1.345 34 A HN 0.737 nan 8.150 nan 0.000 0.583 35 S N 0.679 116.202 115.700 -0.296 0.000 3.405 35 S HA -0.150 4.337 4.470 0.028 0.000 0.373 35 S C -0.014 174.513 174.600 -0.122 0.000 0.939 35 S CA 0.442 58.526 58.200 -0.194 0.000 1.295 35 S CB -1.541 61.537 63.200 -0.203 0.000 0.919 35 S HN 0.456 nan 8.310 nan 0.000 0.535 36 W N 2.316 123.596 121.300 -0.032 0.000 2.158 36 W HA 0.222 4.898 4.660 0.027 0.000 0.339 36 W C 1.357 177.860 176.519 -0.028 0.000 1.294 36 W CA -0.583 56.752 57.345 -0.016 0.000 1.231 36 W CB 0.269 29.721 29.460 -0.014 0.000 1.143 36 W HN 0.381 nan 8.180 nan 0.000 0.571 37 R N 1.812 122.438 120.500 0.209 0.000 2.509 37 R HA 0.068 4.425 4.340 0.028 0.000 0.300 37 R C -0.038 176.325 176.300 0.104 0.000 0.985 37 R CA -0.076 56.093 56.100 0.115 0.000 1.092 37 R CB -0.203 30.137 30.300 0.066 0.000 1.237 37 R HN 0.365 nan 8.270 nan 0.000 0.546 38 N N 0.233 119.015 118.700 0.137 0.000 2.480 38 N HA 0.111 4.868 4.740 0.028 0.000 0.289 38 N C -0.062 175.440 175.510 -0.013 0.000 1.073 38 N CA 0.022 53.105 53.050 0.054 0.000 0.885 38 N CB 1.698 40.215 38.487 0.050 0.000 1.421 38 N HN -0.253 nan 8.380 nan 0.000 0.503 39 S N 2.555 118.221 115.700 -0.057 0.000 2.370 39 S HA -0.195 4.292 4.470 0.028 0.000 0.226 39 S C 1.415 175.868 174.600 -0.245 0.000 1.033 39 S CA 1.373 59.495 58.200 -0.129 0.000 1.011 39 S CB -0.053 63.095 63.200 -0.086 0.000 0.852 39 S HN 0.788 nan 8.310 nan 0.000 0.457 40 E N 1.523 121.594 120.200 -0.215 0.000 2.204 40 E HA -0.134 4.233 4.350 0.028 0.000 0.194 40 E C 1.819 178.216 176.600 -0.339 0.000 0.989 40 E CA 1.057 57.291 56.400 -0.276 0.000 0.824 40 E CB -0.116 29.466 29.700 -0.197 0.000 0.756 40 E HN 0.534 nan 8.360 nan 0.000 0.477 41 E N 0.089 120.087 120.200 -0.335 0.000 2.107 41 E HA -0.124 4.243 4.350 0.028 0.000 0.191 41 E C 2.085 178.104 176.600 -0.969 0.000 0.982 41 E CA 0.885 57.033 56.400 -0.420 0.000 0.809 41 E CB -0.195 29.404 29.700 -0.170 0.000 0.756 41 E HN 0.395 nan 8.360 nan 0.000 0.459 42 A N 2.111 124.162 122.820 -1.282 0.000 1.902 42 A HA -0.198 4.139 4.320 0.028 0.000 0.217 42 A C 2.207 179.192 177.584 -0.998 0.000 1.181 42 A CA 1.544 52.461 52.037 -1.865 0.000 0.623 42 A CB -0.529 17.917 19.000 -0.923 0.000 0.818 42 A HN 0.100 nan 8.150 nan 0.000 0.443 43 R N -0.126 119.991 120.500 -0.639 0.000 2.120 43 R HA -0.122 4.235 4.340 0.028 0.000 0.234 43 R C 1.861 177.916 176.300 -0.410 0.000 1.123 43 R CA 2.015 57.815 56.100 -0.501 0.000 0.975 43 R CB -0.408 29.519 30.300 -0.621 0.000 0.866 43 R HN 0.617 nan 8.270 nan 0.000 0.446 44 T N -2.878 111.436 114.554 -0.400 0.000 3.107 44 T HA 0.053 4.420 4.350 0.028 0.000 0.249 44 T C 0.303 174.909 174.700 -0.156 0.000 1.096 44 T CA 0.477 62.429 62.100 -0.246 0.000 1.012 44 T CB 0.104 68.854 68.868 -0.196 0.000 0.977 44 T HN 0.356 nan 8.240 nan 0.000 0.527 45 D N 0.593 120.857 120.400 -0.227 0.000 2.907 45 D HA -0.155 4.501 4.640 0.028 0.000 0.226 45 D C 0.077 176.487 176.300 0.183 0.000 1.141 45 D CA 0.414 54.427 54.000 0.023 0.000 0.779 45 D CB -1.149 39.712 40.800 0.103 0.000 1.095 45 D HN 0.558 nan 8.370 nan 0.000 0.430 46 R N 0.034 120.607 120.500 0.123 0.000 2.583 46 R HA 0.499 4.855 4.340 0.028 0.000 0.268 46 R C -2.044 174.543 176.300 0.478 0.000 1.101 46 R CA -1.383 54.852 56.100 0.225 0.000 1.180 46 R CB 0.247 30.611 30.300 0.107 0.000 1.128 46 R HN 0.061 nan 8.270 nan 0.000 0.568 47 P HA -0.059 nan 4.420 nan 0.000 0.267 47 P C -0.822 176.641 177.300 0.272 0.000 1.201 47 P CA 0.229 63.477 63.100 0.247 0.000 0.775 47 P CB 0.657 32.450 31.700 0.154 0.000 0.854 48 S N 0.996 116.729 115.700 0.054 0.000 2.502 48 S HA 0.177 4.663 4.470 0.028 0.000 0.304 48 S C 0.920 175.530 174.600 0.017 0.000 1.097 48 S CA -0.567 57.599 58.200 -0.056 0.000 1.045 48 S CB 0.772 63.605 63.200 -0.611 0.000 1.019 48 S HN 0.150 nan 8.310 nan 0.000 0.481 49 Q N 2.830 122.679 119.800 0.083 0.000 2.234 49 Q HA -0.096 4.261 4.340 0.028 0.000 0.206 49 Q C 1.206 177.318 176.000 0.186 0.000 0.980 49 Q CA 1.600 57.487 55.803 0.139 0.000 0.869 49 Q CB -0.348 28.474 28.738 0.140 0.000 0.912 49 Q HN 0.731 nan 8.270 nan 0.000 0.436 50 Q N -0.546 119.279 119.800 0.041 0.000 2.403 50 Q HA 0.136 4.493 4.340 0.028 0.000 0.203 50 Q C -0.377 175.633 176.000 0.017 0.000 0.932 50 Q CA 0.115 55.882 55.803 -0.060 0.000 0.945 50 Q CB 0.430 29.061 28.738 -0.178 0.000 1.045 50 Q HN 0.079 nan 8.270 nan 0.000 0.511 51 L N 0.878 122.142 121.223 0.069 0.000 2.401 51 L HA 0.420 4.776 4.340 0.028 0.000 0.263 51 L C -1.212 175.737 176.870 0.132 0.000 1.004 51 L CA -0.387 54.495 54.840 0.070 0.000 0.881 51 L CB 0.805 42.819 42.059 -0.075 0.000 1.219 51 L HN -0.101 nan 8.230 nan 0.000 0.441 52 R N 2.203 122.833 120.500 0.217 0.000 2.474 52 R HA 0.604 4.961 4.340 0.028 0.000 0.295 52 R C -0.320 176.024 176.300 0.074 0.000 0.980 52 R CA -0.688 55.500 56.100 0.146 0.000 0.934 52 R CB 1.869 32.249 30.300 0.133 0.000 1.101 52 R HN 0.607 nan 8.270 nan 0.000 0.469 53 S N 1.826 117.554 115.700 0.047 0.000 2.525 53 S HA 0.281 4.768 4.470 0.028 0.000 0.278 53 S C 0.658 175.267 174.600 0.014 0.000 1.234 53 S CA -0.662 57.554 58.200 0.026 0.000 1.058 53 S CB 0.545 63.767 63.200 0.037 0.000 0.983 53 S HN 0.571 nan 8.310 nan 0.000 0.495 54 L N 3.288 124.515 121.223 0.007 0.000 2.728 54 L HA 0.298 4.654 4.340 0.028 0.000 0.238 54 L C 0.196 177.210 176.870 0.241 0.000 1.143 54 L CA -0.340 54.520 54.840 0.033 0.000 0.937 54 L CB -0.229 41.776 42.059 -0.089 0.000 1.225 54 L HN 0.502 nan 8.230 nan 0.000 0.507 55 N N 1.336 120.129 118.700 0.154 0.000 2.441 55 N HA 0.405 5.162 4.740 0.028 0.000 0.251 55 N C 0.675 176.323 175.510 0.231 0.000 1.242 55 N CA 1.181 54.332 53.050 0.167 0.000 0.898 55 N CB 1.124 39.645 38.487 0.057 0.000 1.100 55 N HN 0.315 nan 8.380 nan 0.000 0.443 56 G N 0.740 109.695 108.800 0.257 0.000 2.240 56 G HA2 -0.103 3.874 3.960 0.028 0.000 0.199 56 G HA3 -0.103 3.874 3.960 0.028 0.000 0.199 56 G C -1.371 173.757 174.900 0.380 0.000 1.342 56 G CA -0.763 44.484 45.100 0.245 0.000 1.145 56 G HN 0.478 nan 8.290 nan 0.000 0.477 57 E N 0.044 120.430 120.200 0.310 0.000 2.229 57 E HA 0.487 4.854 4.350 0.028 0.000 0.283 57 E C -1.036 175.811 176.600 0.410 0.000 1.030 57 E CA -0.166 56.421 56.400 0.312 0.000 0.836 57 E CB 1.016 30.812 29.700 0.160 0.000 1.068 57 E HN 0.349 nan 8.360 nan 0.000 0.401 58 W N 1.512 122.889 121.300 0.128 0.000 3.017 58 W HA 0.390 5.067 4.660 0.028 0.000 0.341 58 W C -0.138 176.492 176.519 0.186 0.000 1.180 58 W CA -0.733 56.717 57.345 0.174 0.000 1.097 58 W CB 0.836 30.456 29.460 0.266 0.000 1.468 58 W HN 0.183 nan 8.180 nan 0.000 0.584 59 R N 1.755 122.509 120.500 0.424 0.000 2.312 59 R HA 0.561 4.918 4.340 0.028 0.000 0.311 59 R C -1.425 175.122 176.300 0.411 0.000 1.004 59 R CA -0.735 55.566 56.100 0.336 0.000 0.902 59 R CB 1.017 31.460 30.300 0.239 0.000 1.073 59 R HN 0.490 nan 8.270 nan 0.000 0.457 60 F N 0.693 120.686 119.950 0.071 0.000 2.591 60 F HA 0.646 5.189 4.527 0.028 0.000 0.309 60 F C -1.521 174.116 175.800 -0.271 0.000 1.098 60 F CA -0.565 57.329 58.000 -0.176 0.000 0.937 60 F CB 2.080 40.853 39.000 -0.378 0.000 1.250 60 F HN 0.615 nan 8.300 nan 0.000 0.447 61 A N 4.387 126.375 122.820 -1.387 0.000 2.488 61 A HA 0.482 4.819 4.320 0.028 0.000 0.295 61 A C -2.407 174.154 177.584 -1.704 0.000 1.045 61 A CA -0.482 50.854 52.037 -1.168 0.000 0.703 61 A CB 0.496 19.129 19.000 -0.611 0.000 1.271 61 A HN 0.939 nan 8.150 nan 0.000 0.400 62 W N 2.790 123.193 121.300 -1.496 0.000 2.365 62 W HA 0.725 5.402 4.660 0.028 0.000 0.316 62 W C -1.468 174.283 176.519 -1.280 0.000 1.164 62 W CA 0.081 56.694 57.345 -1.221 0.000 1.204 62 W CB 0.817 29.930 29.460 -0.578 0.000 1.213 62 W HN 0.513 nan 8.180 nan 0.000 0.539 63 F N 5.454 124.745 119.950 -1.098 0.000 2.620 63 F HA 0.392 4.935 4.527 0.028 0.000 0.320 63 F C -1.423 173.484 175.800 -1.488 0.000 1.069 63 F CA -2.133 55.346 58.000 -0.868 0.000 0.953 63 F CB 1.667 40.297 39.000 -0.617 0.000 1.322 63 F HN 0.165 nan 8.300 nan 0.000 0.479 64 P HA 0.228 nan 4.420 nan 0.000 0.239 64 P C -0.622 176.560 177.300 -0.197 0.000 1.188 64 P CA 0.569 63.417 63.100 -0.419 0.000 0.794 64 P CB 0.879 32.614 31.700 0.059 0.000 0.937 65 A N -0.468 122.250 122.820 -0.171 0.000 2.599 65 A HA 0.512 4.849 4.320 0.028 0.000 0.294 65 A C -2.454 175.031 177.584 -0.165 0.000 1.055 65 A CA -0.969 51.005 52.037 -0.105 0.000 0.683 65 A CB 0.374 19.374 19.000 -0.000 0.000 1.278 65 A HN -0.301 nan 8.150 nan 0.000 0.412 66 P HA -0.133 nan 4.420 nan 0.000 0.219 66 P C 0.728 177.931 177.300 -0.162 0.000 1.146 66 P CA 1.538 64.514 63.100 -0.207 0.000 0.808 66 P CB 0.261 31.826 31.700 -0.225 0.000 0.779 67 E N -0.137 120.017 120.200 -0.076 0.000 2.338 67 E HA -0.021 4.346 4.350 0.028 0.000 0.197 67 E C 2.066 178.584 176.600 -0.136 0.000 1.007 67 E CA 1.070 57.434 56.400 -0.061 0.000 0.849 67 E CB -0.749 28.953 29.700 0.003 0.000 0.774 67 E HN 0.231 nan 8.360 nan 0.000 0.506 68 A N 0.427 123.127 122.820 -0.201 0.000 2.169 68 A HA 0.065 4.402 4.320 0.028 0.000 0.212 68 A C 0.837 178.081 177.584 -0.567 0.000 1.153 68 A CA -0.058 51.833 52.037 -0.243 0.000 0.756 68 A CB 0.163 19.113 19.000 -0.084 0.000 0.813 68 A HN 0.045 nan 8.150 nan 0.000 0.471 69 V N 2.476 121.922 119.914 -0.781 0.000 2.572 69 V HA 0.182 4.319 4.120 0.028 0.000 0.291 69 V C -2.227 173.543 176.094 -0.540 0.000 1.039 69 V CA -1.266 60.392 62.300 -1.071 0.000 1.055 69 V CB 0.425 31.680 31.823 -0.946 0.000 0.969 69 V HN 0.287 nan 8.190 nan 0.000 0.482 70 P HA 0.271 nan 4.420 nan 0.000 0.282 70 P C 0.460 177.699 177.300 -0.101 0.000 1.262 70 P CA -0.304 62.681 63.100 -0.192 0.000 0.773 70 P CB 1.079 32.719 31.700 -0.101 0.000 0.879 71 E N 1.591 121.740 120.200 -0.084 0.000 2.219 71 E HA -0.216 4.151 4.350 0.028 0.000 0.198 71 E C 1.881 178.450 176.600 -0.052 0.000 0.998 71 E CA 1.896 58.251 56.400 -0.074 0.000 0.818 71 E CB -0.266 29.397 29.700 -0.061 0.000 0.741 71 E HN 0.537 nan 8.360 nan 0.000 0.477 72 S N -0.509 115.180 115.700 -0.018 0.000 2.400 72 S HA -0.234 4.252 4.470 0.028 0.000 0.232 72 S C 1.856 176.481 174.600 0.042 0.000 1.025 72 S CA 1.058 59.259 58.200 0.003 0.000 0.993 72 S CB -0.777 62.434 63.200 0.018 0.000 0.808 72 S HN 0.633 nan 8.310 nan 0.000 0.478 73 W N 1.936 123.142 121.300 -0.157 0.000 2.465 73 W HA 0.137 4.814 4.660 0.028 0.000 0.268 73 W C 1.508 177.915 176.519 -0.187 0.000 1.242 73 W CA 0.622 57.879 57.345 -0.146 0.000 1.248 73 W CB -0.148 29.227 29.460 -0.142 0.000 1.118 73 W HN 0.267 nan 8.180 nan 0.000 0.587 74 L N 0.349 121.410 121.223 -0.269 0.000 2.056 74 L HA -0.148 4.209 4.340 0.028 0.000 0.207 74 L C 2.623 179.281 176.870 -0.354 0.000 1.078 74 L CA 1.145 55.651 54.840 -0.558 0.000 0.749 74 L CB -0.757 40.968 42.059 -0.558 0.000 0.901 74 L HN -0.084 nan 8.230 nan 0.000 0.433 75 E N -0.208 119.870 120.200 -0.203 0.000 2.033 75 E HA -0.034 4.333 4.350 0.028 0.000 0.189 75 E C 0.607 177.141 176.600 -0.110 0.000 0.979 75 E CA 0.830 57.158 56.400 -0.120 0.000 0.802 75 E CB 0.080 29.739 29.700 -0.068 0.000 0.763 75 E HN 0.510 nan 8.360 nan 0.000 0.449 76 C N -0.180 119.067 119.300 -0.090 0.000 2.889 76 C HA 0.593 5.070 4.460 0.028 0.000 0.307 76 C C 0.096 175.075 174.990 -0.018 0.000 1.251 76 C CA -1.759 57.227 59.018 -0.053 0.000 1.593 76 C CB 1.078 28.806 27.740 -0.020 0.000 2.104 76 C HN 0.195 nan 8.230 nan 0.000 0.476 77 D N 0.664 121.065 120.400 0.003 0.000 2.488 77 D HA 0.205 4.862 4.640 0.028 0.000 0.238 77 D C -0.201 176.171 176.300 0.120 0.000 1.138 77 D CA 0.189 54.231 54.000 0.070 0.000 0.873 77 D CB 0.521 41.357 40.800 0.059 0.000 1.183 77 D HN 0.587 nan 8.370 nan 0.000 0.458 78 L N 6.006 127.353 121.223 0.207 0.000 2.369 78 L HA 0.174 4.531 4.340 0.028 0.000 0.279 78 L C -1.284 175.649 176.870 0.106 0.000 1.108 78 L CA -1.480 53.463 54.840 0.171 0.000 0.852 78 L CB 0.977 43.153 42.059 0.195 0.000 1.169 78 L HN 0.522 nan 8.230 nan 0.000 0.452 79 P HA -0.117 nan 4.420 nan 0.000 0.225 79 P C 0.661 177.992 177.300 0.052 0.000 1.148 79 P CA 0.920 64.055 63.100 0.058 0.000 0.779 79 P CB 0.328 32.055 31.700 0.045 0.000 0.780 80 E N -0.392 119.837 120.200 0.048 0.000 2.435 80 E HA 0.154 4.520 4.350 0.028 0.000 0.195 80 E C 1.029 177.648 176.600 0.031 0.000 1.029 80 E CA -0.005 56.414 56.400 0.031 0.000 0.865 80 E CB -0.685 29.023 29.700 0.013 0.000 0.833 80 E HN 0.152 nan 8.360 nan 0.000 0.510 81 A N 1.466 124.311 122.820 0.042 0.000 2.507 81 A HA 0.066 4.402 4.320 0.028 0.000 0.235 81 A C 0.020 177.660 177.584 0.093 0.000 1.070 81 A CA 0.037 52.105 52.037 0.051 0.000 0.768 81 A CB 0.226 19.282 19.000 0.094 0.000 1.011 81 A HN -0.016 nan 8.150 nan 0.000 0.502 82 D N -0.192 120.292 120.400 0.140 0.000 2.384 82 D HA 0.503 5.160 4.640 0.028 0.000 0.250 82 D C -0.605 175.791 176.300 0.161 0.000 1.029 82 D CA -0.030 54.059 54.000 0.148 0.000 0.990 82 D CB 1.211 42.128 40.800 0.195 0.000 1.175 82 D HN 0.393 nan 8.370 nan 0.000 0.532 83 T N 0.587 115.217 114.554 0.126 0.000 2.743 83 T HA 0.477 4.844 4.350 0.028 0.000 0.292 83 T C 0.232 174.998 174.700 0.111 0.000 0.972 83 T CA -0.574 61.608 62.100 0.137 0.000 0.967 83 T CB 0.636 69.565 68.868 0.102 0.000 0.926 83 T HN 0.265 nan 8.240 nan 0.000 0.459 84 V N 1.531 121.537 119.914 0.154 0.000 3.158 84 V HA 0.842 4.978 4.120 0.028 0.000 0.315 84 V C -0.268 175.912 176.094 0.143 0.000 1.148 84 V CA -0.974 61.361 62.300 0.059 0.000 1.042 84 V CB 1.617 33.450 31.823 0.016 0.000 1.101 84 V HN 0.477 nan 8.190 nan 0.000 0.448 85 V N 0.992 120.964 119.914 0.096 0.000 2.539 85 V HA 0.626 4.762 4.120 0.028 0.000 0.292 85 V C -0.175 176.003 176.094 0.141 0.000 1.045 85 V CA -0.259 62.121 62.300 0.135 0.000 0.945 85 V CB 1.540 33.408 31.823 0.076 0.000 0.993 85 V HN 0.755 nan 8.190 nan 0.000 0.464 86 V N 6.302 126.213 119.914 -0.006 0.000 2.709 86 V HA 0.468 4.604 4.120 0.028 0.000 0.308 86 V C -2.302 173.681 176.094 -0.186 0.000 1.062 86 V CA -1.650 60.493 62.300 -0.262 0.000 0.901 86 V CB 2.473 33.711 31.823 -0.975 0.000 1.003 86 V HN 0.748 nan 8.190 nan 0.000 0.425 87 P HA 0.453 nan 4.420 nan 0.000 0.274 87 P C -0.675 176.555 177.300 -0.116 0.000 1.246 87 P CA -0.064 62.910 63.100 -0.210 0.000 0.795 87 P CB 1.402 33.000 31.700 -0.171 0.000 1.006 88 S N -0.489 115.156 115.700 -0.091 0.000 2.656 88 S HA 0.349 4.836 4.470 0.028 0.000 0.265 88 S C -1.356 173.188 174.600 -0.093 0.000 1.132 88 S CA -1.032 57.098 58.200 -0.117 0.000 0.819 88 S CB 0.269 63.347 63.200 -0.204 0.000 1.119 88 S HN 0.395 nan 8.310 nan 0.000 0.476 89 N N 0.979 119.545 118.700 -0.223 0.000 2.446 89 N HA 0.416 5.173 4.740 0.028 0.000 0.265 89 N C 0.431 175.754 175.510 -0.313 0.000 0.975 89 N CA -0.815 52.077 53.050 -0.263 0.000 0.928 89 N CB 0.760 39.056 38.487 -0.318 0.000 1.160 89 N HN 0.831 nan 8.380 nan 0.000 0.495 90 W N 2.755 123.935 121.300 -0.199 0.000 2.424 90 W HA -0.136 4.541 4.660 0.028 0.000 0.264 90 W C 0.857 177.356 176.519 -0.034 0.000 1.229 90 W CA 0.779 58.004 57.345 -0.199 0.000 1.208 90 W CB -0.239 29.044 29.460 -0.296 0.000 1.127 90 W HN 0.514 nan 8.180 nan 0.000 0.588 91 Q N 0.263 119.944 119.800 -0.199 0.000 2.245 91 Q HA -0.056 4.301 4.340 0.028 0.000 0.201 91 Q C 2.187 178.094 176.000 -0.156 0.000 0.955 91 Q CA 1.458 57.173 55.803 -0.147 0.000 0.870 91 Q CB -0.498 28.057 28.738 -0.306 0.000 0.945 91 Q HN 0.255 nan 8.270 nan 0.000 0.461 92 M N -0.635 118.834 119.600 -0.218 0.000 2.476 92 M HA -0.052 4.445 4.480 0.028 0.000 0.262 92 M C 0.623 176.916 176.300 -0.012 0.000 1.079 92 M CA 1.421 56.613 55.300 -0.179 0.000 1.104 92 M CB -0.632 31.838 32.600 -0.217 0.000 1.409 92 M HN 0.382 nan 8.290 nan 0.000 0.467 93 H N -1.097 117.979 119.070 0.011 0.000 2.551 93 H HA 0.342 4.915 4.556 0.028 0.000 0.271 93 H C 1.308 176.526 175.328 -0.183 0.000 0.984 93 H CA 0.098 56.145 56.048 -0.002 0.000 1.164 93 H CB 0.293 30.136 29.762 0.134 0.000 1.437 93 H HN 0.526 nan 8.280 nan 0.000 0.550 94 G N 0.685 109.468 108.800 -0.030 0.000 2.143 94 G HA2 -0.374 3.603 3.960 0.028 0.000 0.248 94 G HA3 -0.374 3.603 3.960 0.028 0.000 0.248 94 G C 0.340 175.090 174.900 -0.250 0.000 0.991 94 G CA 0.375 45.393 45.100 -0.137 0.000 0.689 94 G HN 0.490 nan 8.290 nan 0.000 0.522 95 Y N 1.334 121.636 120.300 0.003 0.000 2.373 95 Y HA 0.266 4.833 4.550 0.028 0.000 0.293 95 Y C 1.627 177.274 175.900 -0.423 0.000 1.129 95 Y CA 1.504 59.497 58.100 -0.179 0.000 1.226 95 Y CB 0.275 38.709 38.460 -0.044 0.000 1.000 95 Y HN 0.667 nan 8.280 nan 0.000 0.549 96 D N -1.960 118.479 120.400 0.064 0.000 2.692 96 D HA 0.495 5.152 4.640 0.028 0.000 0.290 96 D C -1.212 175.137 176.300 0.082 0.000 1.281 96 D CA -0.822 53.214 54.000 0.060 0.000 0.804 96 D CB 0.735 41.687 40.800 0.252 0.000 1.331 96 D HN -0.075 nan 8.370 nan 0.000 0.432 97 A N -0.190 122.691 122.820 0.102 0.000 2.293 97 A HA 0.772 5.109 4.320 0.028 0.000 0.302 97 A C -2.420 175.168 177.584 0.007 0.000 1.119 97 A CA -1.244 50.830 52.037 0.062 0.000 0.823 97 A CB 0.435 19.535 19.000 0.167 0.000 1.097 97 A HN 0.561 nan 8.150 nan 0.000 0.491 98 P HA 0.533 nan 4.420 nan 0.000 0.286 98 P C -1.013 176.436 177.300 0.248 0.000 1.261 98 P CA -0.142 62.883 63.100 -0.124 0.000 0.821 98 P CB 1.038 32.414 31.700 -0.539 0.000 1.013 99 I N 2.439 123.265 120.570 0.426 0.000 2.433 99 I HA 0.264 4.450 4.170 0.028 0.000 0.292 99 I C -0.463 175.842 176.117 0.313 0.000 1.001 99 I CA -1.075 60.478 61.300 0.421 0.000 1.119 99 I CB 1.533 39.698 38.000 0.275 0.000 1.289 99 I HN 0.313 nan 8.210 nan 0.000 0.438 100 Y N 5.909 126.123 120.300 -0.143 0.000 2.434 100 Y HA 0.473 5.039 4.550 0.028 0.000 0.341 100 Y C -0.269 175.466 175.900 -0.275 0.000 0.965 100 Y CA -0.425 57.291 58.100 -0.641 0.000 1.205 100 Y CB 1.025 38.624 38.460 -1.436 0.000 1.121 100 Y HN 0.566 nan 8.280 nan 0.000 0.507 101 T N 5.959 120.026 114.554 -0.811 0.000 2.881 101 T HA 0.244 4.610 4.350 0.028 0.000 0.290 101 T C 0.265 174.510 174.700 -0.758 0.000 1.000 101 T CA -0.527 61.126 62.100 -0.744 0.000 0.978 101 T CB 0.906 69.565 68.868 -0.348 0.000 0.997 101 T HN 0.932 nan 8.240 nan 0.000 0.443 102 N N 3.030 121.288 118.700 -0.737 0.000 2.202 102 N HA -0.025 4.732 4.740 0.028 0.000 0.191 102 N C 1.358 176.628 175.510 -0.401 0.000 1.054 102 N CA 0.701 53.472 53.050 -0.464 0.000 0.877 102 N CB 0.108 38.369 38.487 -0.377 0.000 1.057 102 N HN 0.370 nan 8.380 nan 0.000 0.456 103 V N 0.791 120.413 119.914 -0.486 0.000 2.436 103 V HA 0.024 4.161 4.120 0.028 0.000 0.240 103 V C 0.641 176.451 176.094 -0.473 0.000 1.040 103 V CA 0.836 62.789 62.300 -0.577 0.000 1.052 103 V CB -0.331 31.033 31.823 -0.764 0.000 0.707 103 V HN 0.376 nan 8.190 nan 0.000 0.469 104 T N 1.027 115.360 114.554 -0.370 0.000 2.908 104 T HA 0.086 4.452 4.350 0.028 0.000 0.301 104 T C -0.394 174.170 174.700 -0.225 0.000 1.019 104 T CA 0.323 62.272 62.100 -0.251 0.000 1.152 104 T CB -0.261 68.488 68.868 -0.199 0.000 0.966 104 T HN 0.185 nan 8.240 nan 0.000 0.540 105 Y N 4.740 124.943 120.300 -0.161 0.000 2.597 105 Y HA 0.131 4.698 4.550 0.028 0.000 0.336 105 Y C -0.842 174.926 175.900 -0.220 0.000 1.216 105 Y CA -1.813 56.177 58.100 -0.184 0.000 1.463 105 Y CB 0.432 38.776 38.460 -0.193 0.000 1.303 105 Y HN 0.527 nan 8.280 nan 0.000 0.576 106 P HA -0.045 nan 4.420 nan 0.000 0.239 106 P C -0.278 176.803 177.300 -0.365 0.000 1.184 106 P CA 1.164 64.143 63.100 -0.202 0.000 0.760 106 P CB -0.009 31.576 31.700 -0.192 0.000 0.884 107 I N -5.289 115.053 120.570 -0.379 0.000 2.934 107 I HA 0.470 4.657 4.170 0.028 0.000 0.306 107 I C -0.682 175.314 176.117 -0.201 0.000 1.110 107 I CA -1.189 59.869 61.300 -0.404 0.000 1.019 107 I CB 2.010 39.632 38.000 -0.630 0.000 1.227 107 I HN -0.450 nan 8.210 nan 0.000 0.434 108 T N 2.967 117.444 114.554 -0.128 0.000 2.946 108 T HA 0.134 4.500 4.350 0.028 0.000 0.311 108 T C 0.239 174.921 174.700 -0.031 0.000 1.063 108 T CA -0.217 61.852 62.100 -0.051 0.000 1.139 108 T CB 0.744 69.602 68.868 -0.016 0.000 0.994 108 T HN 0.390 nan 8.240 nan 0.000 0.547 109 V N 4.370 124.283 119.914 -0.002 0.000 2.356 109 V HA 0.294 4.431 4.120 0.028 0.000 0.258 109 V C 0.647 176.786 176.094 0.075 0.000 1.065 109 V CA -0.217 62.103 62.300 0.033 0.000 0.935 109 V CB -0.027 31.803 31.823 0.012 0.000 1.061 109 V HN 0.924 nan 8.190 nan 0.000 0.484 110 N N 5.693 124.492 118.700 0.166 0.000 2.658 110 N HA 0.190 4.947 4.740 0.028 0.000 0.238 110 N C -2.918 172.719 175.510 0.211 0.000 1.495 110 N CA -0.991 52.156 53.050 0.162 0.000 0.883 110 N CB 1.289 39.886 38.487 0.182 0.000 1.463 110 N HN 0.291 nan 8.380 nan 0.000 0.531 111 P HA 0.170 nan 4.420 nan 0.000 0.264 111 P C -2.284 174.885 177.300 -0.219 0.000 1.183 111 P CA -0.554 62.226 63.100 -0.532 0.000 0.763 111 P CB 0.600 31.786 31.700 -0.857 0.000 0.807 112 P HA 0.262 nan 4.420 nan 0.000 0.262 112 P C -0.382 176.810 177.300 -0.180 0.000 1.651 112 P CA -0.413 62.553 63.100 -0.223 0.000 1.119 112 P CB -0.025 31.505 31.700 -0.283 0.000 1.552 113 F N 0.987 121.051 119.950 0.189 0.000 2.380 113 F HA 0.305 4.849 4.527 0.028 0.000 0.325 113 F C 1.349 177.310 175.800 0.269 0.000 1.136 113 F CA -0.538 57.576 58.000 0.189 0.000 1.171 113 F CB 0.878 39.943 39.000 0.109 0.000 1.230 113 F HN -0.198 nan 8.300 nan 0.000 0.554 114 V N -0.838 119.363 119.914 0.479 0.000 3.074 114 V HA 0.656 4.793 4.120 0.028 0.000 0.314 114 V C -2.719 173.554 176.094 0.299 0.000 1.117 114 V CA -2.796 59.716 62.300 0.354 0.000 1.014 114 V CB 1.367 33.460 31.823 0.450 0.000 1.057 114 V HN 0.466 nan 8.190 nan 0.000 0.438 115 P HA 0.176 nan 4.420 nan 0.000 0.268 115 P C 0.986 178.432 177.300 0.243 0.000 1.208 115 P CA 0.411 63.613 63.100 0.170 0.000 0.777 115 P CB 0.507 32.271 31.700 0.107 0.000 0.875 116 T N -1.238 113.429 114.554 0.188 0.000 2.857 116 T HA -0.088 4.279 4.350 0.028 0.000 0.266 116 T C 0.424 175.231 174.700 0.178 0.000 1.048 116 T CA 0.837 63.050 62.100 0.189 0.000 1.139 116 T CB -0.544 68.403 68.868 0.132 0.000 0.874 116 T HN 0.412 nan 8.240 nan 0.000 0.455 117 E N 2.741 123.044 120.200 0.173 0.000 1.941 117 E HA 0.319 4.686 4.350 0.028 0.000 0.275 117 E C -0.579 176.164 176.600 0.239 0.000 1.113 117 E CA -0.386 56.119 56.400 0.174 0.000 0.878 117 E CB 0.145 29.953 29.700 0.180 0.000 1.070 117 E HN 0.214 nan 8.360 nan 0.000 0.399 118 N N 4.332 123.150 118.700 0.197 0.000 2.623 118 N HA 0.216 4.973 4.740 0.028 0.000 0.256 118 N C -2.790 172.744 175.510 0.040 0.000 1.045 118 N CA -2.691 50.508 53.050 0.249 0.000 0.863 118 N CB 0.872 39.513 38.487 0.256 0.000 1.182 118 N HN 0.040 nan 8.380 nan 0.000 0.523 119 P HA -0.035 nan 4.420 nan 0.000 0.257 119 P C -0.755 176.436 177.300 -0.183 0.000 1.153 119 P CA 0.598 63.631 63.100 -0.112 0.000 0.762 119 P CB 0.232 32.178 31.700 0.410 0.000 0.743 120 T N 2.778 116.967 114.554 -0.607 0.000 2.824 120 T HA 0.597 4.964 4.350 0.028 0.000 0.282 120 T C 0.226 174.397 174.700 -0.881 0.000 0.993 120 T CA -0.539 61.259 62.100 -0.503 0.000 0.967 120 T CB 1.723 70.357 68.868 -0.389 0.000 0.960 120 T HN 0.363 nan 8.240 nan 0.000 0.441 121 G N 0.910 109.256 108.800 -0.757 0.000 2.422 121 G HA2 0.488 4.464 3.960 0.028 0.000 0.317 121 G HA3 0.488 4.464 3.960 0.028 0.000 0.317 121 G C -0.376 174.215 174.900 -0.516 0.000 1.210 121 G CA -0.360 44.123 45.100 -1.029 0.000 0.930 121 G HN 0.866 nan 8.290 nan 0.000 0.468 122 C N 3.375 122.171 119.300 -0.839 0.000 2.203 122 C HA 0.435 4.912 4.460 0.028 0.000 0.325 122 C C -0.489 174.460 174.990 -0.068 0.000 1.156 122 C CA -0.953 57.761 59.018 -0.508 0.000 1.597 122 C CB -1.839 25.238 27.740 -1.105 0.000 2.148 122 C HN 0.617 nan 8.230 nan 0.000 0.472 123 Y N 2.089 122.623 120.300 0.390 0.000 2.334 123 Y HA 0.574 5.141 4.550 0.028 0.000 0.328 123 Y C 0.880 177.192 175.900 0.687 0.000 1.130 123 Y CA -0.094 58.352 58.100 0.577 0.000 1.163 123 Y CB 1.266 40.080 38.460 0.589 0.000 1.207 123 Y HN 0.652 nan 8.280 nan 0.000 0.471 124 S N 2.548 118.688 115.700 0.734 0.000 2.588 124 S HA 0.839 5.326 4.470 0.028 0.000 0.275 124 S C -1.821 172.832 174.600 0.088 0.000 1.130 124 S CA -0.807 57.611 58.200 0.364 0.000 0.855 124 S CB 2.173 65.466 63.200 0.154 0.000 1.116 124 S HN 0.578 nan 8.310 nan 0.000 0.472 125 L N 0.973 122.079 121.223 -0.196 0.000 2.482 125 L HA 0.687 5.044 4.340 0.028 0.000 0.263 125 L C -1.085 175.712 176.870 -0.122 0.000 0.957 125 L CA 0.081 54.669 54.840 -0.419 0.000 0.836 125 L CB 2.443 43.790 42.059 -1.187 0.000 1.324 125 L HN 0.930 nan 8.230 nan 0.000 0.406 126 T N 5.557 120.073 114.554 -0.064 0.000 2.756 126 T HA 0.646 5.013 4.350 0.028 0.000 0.290 126 T C -0.698 174.051 174.700 0.082 0.000 0.985 126 T CA -0.068 62.043 62.100 0.018 0.000 0.955 126 T CB 0.059 68.910 68.868 -0.028 0.000 0.930 126 T HN 0.423 nan 8.240 nan 0.000 0.451 127 F N 1.408 121.259 119.950 -0.165 0.000 2.640 127 F HA 0.810 5.354 4.527 0.028 0.000 0.324 127 F C -0.536 175.182 175.800 -0.136 0.000 1.077 127 F CA -1.529 56.374 58.000 -0.162 0.000 0.965 127 F CB 1.419 40.302 39.000 -0.194 0.000 1.351 127 F HN 0.326 nan 8.300 nan 0.000 0.487 128 N N 0.152 118.702 118.700 -0.250 0.000 2.456 128 N HA 0.622 5.378 4.740 0.028 0.000 0.296 128 N C -1.918 173.344 175.510 -0.412 0.000 1.102 128 N CA -0.507 52.341 53.050 -0.337 0.000 0.924 128 N CB 1.993 40.364 38.487 -0.192 0.000 1.186 128 N HN 0.624 nan 8.380 nan 0.000 0.492 129 V N 2.110 121.774 119.914 -0.416 0.000 2.482 129 V HA 0.235 4.372 4.120 0.028 0.000 0.295 129 V C -0.480 175.429 176.094 -0.309 0.000 1.026 129 V CA -0.949 61.117 62.300 -0.390 0.000 0.856 129 V CB 1.133 32.782 31.823 -0.290 0.000 1.001 129 V HN 0.809 nan 8.190 nan 0.000 0.424 130 D N 2.565 122.717 120.400 -0.412 0.000 2.414 130 D HA 0.090 4.747 4.640 0.028 0.000 0.242 130 D C 1.212 177.467 176.300 -0.075 0.000 1.129 130 D CA -0.025 53.835 54.000 -0.234 0.000 0.885 130 D CB 1.302 41.962 40.800 -0.233 0.000 1.198 130 D HN 0.703 nan 8.370 nan 0.000 0.437 131 E N 1.605 121.792 120.200 -0.022 0.000 2.209 131 E HA -0.206 4.160 4.350 0.028 0.000 0.196 131 E C 1.601 178.256 176.600 0.091 0.000 0.993 131 E CA 1.678 58.097 56.400 0.031 0.000 0.819 131 E CB -0.244 29.465 29.700 0.015 0.000 0.745 131 E HN 0.457 nan 8.360 nan 0.000 0.477 132 S N -1.065 114.704 115.700 0.114 0.000 2.442 132 S HA -0.154 4.332 4.470 0.028 0.000 0.236 132 S C 1.591 176.290 174.600 0.165 0.000 1.007 132 S CA 0.901 59.185 58.200 0.139 0.000 0.965 132 S CB -0.709 62.586 63.200 0.157 0.000 0.773 132 S HN 0.407 nan 8.310 nan 0.000 0.504 133 W N 1.465 122.669 121.300 -0.160 0.000 2.576 133 W HA 0.428 5.105 4.660 0.028 0.000 0.270 133 W C 1.908 178.426 176.519 -0.002 0.000 1.255 133 W CA -0.301 56.906 57.345 -0.229 0.000 1.314 133 W CB -0.430 28.960 29.460 -0.116 0.000 1.101 133 W HN 0.290 nan 8.180 nan 0.000 0.595 134 L N -0.771 120.605 121.223 0.255 0.000 2.416 134 L HA 0.021 4.377 4.340 0.028 0.000 0.216 134 L C 2.226 179.175 176.870 0.131 0.000 1.098 134 L CA 0.558 55.510 54.840 0.186 0.000 0.840 134 L CB -0.701 41.437 42.059 0.133 0.000 0.981 134 L HN -0.107 nan 8.230 nan 0.000 0.462 135 Q N 0.224 120.088 119.800 0.106 0.000 2.170 135 Q HA -0.045 4.312 4.340 0.028 0.000 0.203 135 Q C 0.029 176.078 176.000 0.083 0.000 0.976 135 Q CA 1.072 56.921 55.803 0.077 0.000 0.858 135 Q CB 0.509 29.282 28.738 0.058 0.000 0.907 135 Q HN 0.371 nan 8.270 nan 0.000 0.433 136 E N -2.219 118.050 120.200 0.115 0.000 2.433 136 E HA 0.457 4.824 4.350 0.028 0.000 0.278 136 E C -0.257 176.464 176.600 0.202 0.000 0.976 136 E CA -0.032 56.440 56.400 0.120 0.000 0.793 136 E CB 1.656 31.417 29.700 0.102 0.000 1.311 136 E HN 0.248 nan 8.360 nan 0.000 0.460 137 G N 1.373 110.228 108.800 0.090 0.000 2.645 137 G HA2 -0.281 3.696 3.960 0.028 0.000 0.239 137 G HA3 -0.281 3.696 3.960 0.028 0.000 0.239 137 G C -0.490 174.376 174.900 -0.056 0.000 1.331 137 G CA 0.213 45.286 45.100 -0.045 0.000 0.890 137 G HN 0.526 nan 8.290 nan 0.000 0.572 138 Q N -0.590 119.035 119.800 -0.293 0.000 2.356 138 Q HA 0.643 5.000 4.340 0.028 0.000 0.270 138 Q C -1.025 174.875 176.000 -0.167 0.000 1.058 138 Q CA -0.458 55.255 55.803 -0.150 0.000 0.802 138 Q CB 1.628 30.294 28.738 -0.121 0.000 1.303 138 Q HN 0.646 nan 8.270 nan 0.000 0.444 139 T N 4.686 119.303 114.554 0.104 0.000 2.788 139 T HA 0.456 4.822 4.350 0.028 0.000 0.296 139 T C -0.574 174.253 174.700 0.211 0.000 1.009 139 T CA -0.645 61.606 62.100 0.252 0.000 0.949 139 T CB 0.527 69.687 68.868 0.487 0.000 0.946 139 T HN 0.626 nan 8.240 nan 0.000 0.453 140 R N 3.091 123.697 120.500 0.176 0.000 2.778 140 R HA 0.757 5.114 4.340 0.028 0.000 0.277 140 R C -1.119 175.283 176.300 0.170 0.000 0.977 140 R CA -0.921 55.275 56.100 0.160 0.000 0.950 140 R CB 1.390 31.753 30.300 0.104 0.000 1.165 140 R HN 0.581 nan 8.270 nan 0.000 0.474 141 I N 3.328 123.996 120.570 0.164 0.000 2.437 141 I HA 0.419 4.606 4.170 0.028 0.000 0.298 141 I C -1.026 175.131 176.117 0.066 0.000 0.984 141 I CA -1.073 60.279 61.300 0.086 0.000 1.214 141 I CB 1.160 39.217 38.000 0.096 0.000 1.365 141 I HN 0.634 nan 8.210 nan 0.000 0.469 142 I N 7.391 127.889 120.570 -0.120 0.000 2.468 142 I HA 0.278 4.465 4.170 0.028 0.000 0.285 142 I C -1.337 174.601 176.117 -0.298 0.000 1.039 142 I CA -0.340 60.907 61.300 -0.088 0.000 1.074 142 I CB 1.474 39.439 38.000 -0.059 0.000 1.228 142 I HN 0.364 nan 8.210 nan 0.000 0.436 143 F N 4.473 124.405 119.950 -0.030 0.000 2.332 143 F HA 0.286 4.830 4.527 0.028 0.000 0.368 143 F C 1.316 177.011 175.800 -0.174 0.000 1.110 143 F CA -0.464 57.452 58.000 -0.139 0.000 1.087 143 F CB 0.850 39.727 39.000 -0.204 0.000 1.235 143 F HN 0.447 nan 8.300 nan 0.000 0.470 144 D N 2.375 122.711 120.400 -0.107 0.000 2.264 144 D HA 0.056 4.713 4.640 0.028 0.000 0.208 144 D C 0.975 177.119 176.300 -0.259 0.000 0.966 144 D CA 0.861 54.749 54.000 -0.187 0.000 0.864 144 D CB 0.413 41.045 40.800 -0.280 0.000 0.933 144 D HN 0.638 nan 8.370 nan 0.000 0.499 145 G N -0.259 108.340 108.800 -0.334 0.000 2.334 145 G HA2 0.421 4.398 3.960 0.028 0.000 0.290 145 G HA3 0.421 4.398 3.960 0.028 0.000 0.290 145 G C -1.356 173.312 174.900 -0.386 0.000 1.310 145 G CA -0.440 44.335 45.100 -0.542 0.000 1.308 145 G HN -0.062 nan 8.290 nan 0.000 0.612 146 V N 2.542 122.411 119.914 -0.075 0.000 2.443 146 V HA 0.514 4.651 4.120 0.028 0.000 0.293 146 V C -0.675 175.512 176.094 0.155 0.000 1.021 146 V CA -1.237 61.026 62.300 -0.062 0.000 0.848 146 V CB 1.680 33.193 31.823 -0.516 0.000 0.998 146 V HN 0.669 nan 8.190 nan 0.000 0.424 147 N N 2.739 121.531 118.700 0.155 0.000 2.446 147 N HA 0.323 5.080 4.740 0.028 0.000 0.265 147 N C 0.677 176.152 175.510 -0.057 0.000 0.975 147 N CA 0.165 53.230 53.050 0.026 0.000 0.928 147 N CB 2.291 40.666 38.487 -0.186 0.000 1.160 147 N HN 0.674 nan 8.380 nan 0.000 0.495 148 S N 2.018 117.706 115.700 -0.020 0.000 2.520 148 S HA 0.560 5.046 4.470 0.028 0.000 0.219 148 S C 0.306 174.968 174.600 0.103 0.000 1.028 148 S CA 0.103 58.334 58.200 0.051 0.000 0.921 148 S CB 0.327 63.563 63.200 0.060 0.000 0.844 148 S HN 0.680 nan 8.310 nan 0.000 0.495 149 A N 0.780 123.665 122.820 0.110 0.000 2.604 149 A HA 0.746 5.083 4.320 0.028 0.000 0.295 149 A C -1.277 176.379 177.584 0.120 0.000 1.067 149 A CA -0.983 51.072 52.037 0.030 0.000 0.683 149 A CB 0.777 19.820 19.000 0.071 0.000 1.281 149 A HN 1.058 nan 8.150 nan 0.000 0.407 150 F N -0.513 119.241 119.950 -0.327 0.000 2.693 150 F HA 0.774 5.317 4.527 0.028 0.000 0.309 150 F C -1.050 174.616 175.800 -0.223 0.000 1.129 150 F CA -0.817 57.078 58.000 -0.174 0.000 0.948 150 F CB 1.201 40.091 39.000 -0.183 0.000 1.315 150 F HN 0.621 nan 8.300 nan 0.000 0.447 151 H N 1.720 120.938 119.070 0.247 0.000 2.529 151 H HA 0.739 5.312 4.556 0.028 0.000 0.348 151 H C -1.472 173.831 175.328 -0.042 0.000 1.152 151 H CA -0.738 55.351 56.048 0.069 0.000 1.202 151 H CB 2.512 32.315 29.762 0.068 0.000 1.562 151 H HN 0.819 nan 8.280 nan 0.000 0.515 152 L N 2.519 123.546 121.223 -0.326 0.000 2.408 152 L HA 0.435 4.792 4.340 0.028 0.000 0.268 152 L C -1.659 174.929 176.870 -0.470 0.000 0.986 152 L CA -0.479 54.225 54.840 -0.227 0.000 0.820 152 L CB 1.771 43.623 42.059 -0.345 0.000 1.303 152 L HN 0.503 nan 8.230 nan 0.000 0.411 153 W N 4.079 125.362 121.300 -0.029 0.000 2.781 153 W HA 0.630 5.307 4.660 0.028 0.000 0.345 153 W C -1.162 175.321 176.519 -0.060 0.000 1.085 153 W CA -0.811 56.514 57.345 -0.033 0.000 1.198 153 W CB 2.041 31.506 29.460 0.008 0.000 1.423 153 W HN 0.660 nan 8.180 nan 0.000 0.532 154 C N 4.630 124.061 119.300 0.218 0.000 2.446 154 C HA 0.296 4.773 4.460 0.028 0.000 0.329 154 C C 0.233 175.368 174.990 0.243 0.000 1.166 154 C CA -0.363 58.763 59.018 0.181 0.000 1.341 154 C CB -0.411 27.384 27.740 0.092 0.000 1.970 154 C HN 0.829 nan 8.230 nan 0.000 0.452 155 N N 3.635 122.427 118.700 0.152 0.000 2.721 155 N HA -0.194 4.563 4.740 0.028 0.000 0.249 155 N C 1.026 176.602 175.510 0.111 0.000 1.072 155 N CA 2.095 55.208 53.050 0.105 0.000 0.710 155 N CB -1.312 37.238 38.487 0.104 0.000 0.993 155 N HN 1.888 nan 8.380 nan 0.000 0.547 156 G N -0.973 107.888 108.800 0.103 0.000 2.320 156 G HA2 -0.370 3.607 3.960 0.028 0.000 0.242 156 G HA3 -0.370 3.607 3.960 0.028 0.000 0.242 156 G C 0.122 175.191 174.900 0.282 0.000 1.033 156 G CA 0.517 45.669 45.100 0.088 0.000 0.620 156 G HN 0.542 nan 8.290 nan 0.000 0.517 157 R N -0.426 120.298 120.500 0.373 0.000 2.357 157 R HA 0.408 4.764 4.340 0.028 0.000 0.296 157 R C 0.050 176.714 176.300 0.607 0.000 1.052 157 R CA -0.621 55.771 56.100 0.488 0.000 0.988 157 R CB 0.863 31.416 30.300 0.420 0.000 1.025 157 R HN 0.278 nan 8.270 nan 0.000 0.469 158 W N 3.554 125.050 121.300 0.326 0.000 2.264 158 W HA 0.028 4.705 4.660 0.028 0.000 0.331 158 W C 0.205 176.670 176.519 -0.091 0.000 1.364 158 W CA 0.085 57.303 57.345 -0.212 0.000 1.253 158 W CB 0.613 29.901 29.460 -0.287 0.000 1.215 158 W HN 0.329 nan 8.180 nan 0.000 0.561 159 V N 5.341 124.630 119.914 -1.042 0.000 2.690 159 V HA 0.504 4.641 4.120 0.028 0.000 0.240 159 V C 1.098 176.254 176.094 -1.563 0.000 1.078 159 V CA 1.181 62.782 62.300 -1.165 0.000 1.102 159 V CB -0.323 30.803 31.823 -1.162 0.000 0.800 159 V HN 0.843 nan 8.190 nan 0.000 0.479 160 G N -1.800 105.789 108.800 -2.019 0.000 2.340 160 G HA2 0.432 4.408 3.960 0.028 0.000 0.299 160 G HA3 0.432 4.408 3.960 0.028 0.000 0.299 160 G C -2.421 171.983 174.900 -0.828 0.000 1.291 160 G CA -0.270 43.940 45.100 -1.484 0.000 0.841 160 G HN -0.007 nan 8.290 nan 0.000 0.500 161 Y N -0.398 119.616 120.300 -0.478 0.000 2.534 161 Y HA 0.723 5.290 4.550 0.028 0.000 0.345 161 Y C -0.004 175.642 175.900 -0.423 0.000 1.031 161 Y CA -0.013 57.783 58.100 -0.506 0.000 1.022 161 Y CB 2.261 40.603 38.460 -0.197 0.000 1.292 161 Y HN 1.227 nan 8.280 nan 0.000 0.459 162 G N 3.653 111.497 108.800 -1.593 0.000 2.690 162 G HA2 0.590 4.567 3.960 0.028 0.000 0.293 162 G HA3 0.590 4.567 3.960 0.028 0.000 0.293 162 G C -2.088 172.293 174.900 -0.864 0.000 1.399 162 G CA -0.869 43.614 45.100 -1.028 0.000 0.890 162 G HN 0.625 nan 8.290 nan 0.000 0.485 163 Q N -0.411 119.174 119.800 -0.359 0.000 2.668 163 Q HA 0.571 4.928 4.340 0.028 0.000 0.298 163 Q C -1.413 174.587 176.000 0.000 0.000 1.071 163 Q CA -0.821 54.908 55.803 -0.124 0.000 0.789 163 Q CB 2.677 31.397 28.738 -0.029 0.000 1.497 163 Q HN 0.662 nan 8.270 nan 0.000 0.460 164 D N -0.138 120.303 120.400 0.069 0.000 4.370 164 D HA -0.098 4.559 4.640 0.028 0.000 0.238 164 D C -0.496 175.874 176.300 0.116 0.000 1.104 164 D CA 0.481 54.539 54.000 0.097 0.000 1.101 164 D CB -0.700 40.140 40.800 0.067 0.000 0.749 164 D HN 0.530 nan 8.370 nan 0.000 0.351 165 S N 3.033 118.818 115.700 0.141 0.000 2.537 165 S HA -0.101 4.386 4.470 0.028 0.000 0.240 165 S C 1.530 176.271 174.600 0.235 0.000 0.981 165 S CA 0.692 59.005 58.200 0.188 0.000 0.948 165 S CB 0.161 63.441 63.200 0.134 0.000 0.759 165 S HN 0.472 nan 8.310 nan 0.000 0.531 166 R N 0.042 120.643 120.500 0.168 0.000 2.577 166 R HA 0.417 4.774 4.340 0.028 0.000 0.344 166 R C -0.437 175.925 176.300 0.104 0.000 1.037 166 R CA 0.048 56.245 56.100 0.162 0.000 1.102 166 R CB 0.261 30.679 30.300 0.196 0.000 1.313 166 R HN 0.312 nan 8.270 nan 0.000 0.561 167 L N 1.453 122.709 121.223 0.055 0.000 2.350 167 L HA 0.510 4.867 4.340 0.028 0.000 0.260 167 L C -2.389 174.463 176.870 -0.030 0.000 1.015 167 L CA -2.374 52.468 54.840 0.003 0.000 0.821 167 L CB 2.897 44.950 42.059 -0.010 0.000 1.370 167 L HN -0.194 nan 8.230 nan 0.000 0.416 168 P HA 0.076 nan 4.420 nan 0.000 0.268 168 P C -0.978 176.284 177.300 -0.063 0.000 1.204 168 P CA -0.118 62.937 63.100 -0.075 0.000 0.768 168 P CB 0.894 32.510 31.700 -0.140 0.000 0.842 169 S N 2.365 118.085 115.700 0.032 0.000 2.474 169 S HA 0.272 4.759 4.470 0.028 0.000 0.321 169 S C -0.296 174.217 174.600 -0.145 0.000 1.080 169 S CA -0.554 57.618 58.200 -0.046 0.000 1.106 169 S CB 0.537 63.838 63.200 0.168 0.000 0.984 169 S HN 0.366 nan 8.310 nan 0.000 0.464 170 E N 2.245 122.182 120.200 -0.439 0.000 2.183 170 E HA 0.534 4.901 4.350 0.028 0.000 0.271 170 E C -1.290 174.915 176.600 -0.658 0.000 0.919 170 E CA -0.473 55.733 56.400 -0.324 0.000 0.781 170 E CB 1.463 31.096 29.700 -0.113 0.000 1.140 170 E HN 0.425 nan 8.360 nan 0.000 0.402 171 F N 0.714 120.716 119.950 0.087 0.000 2.563 171 F HA 0.226 4.770 4.527 0.028 0.000 0.316 171 F C 0.142 175.959 175.800 0.027 0.000 1.076 171 F CA -1.123 56.888 58.000 0.017 0.000 0.921 171 F CB 1.523 40.496 39.000 -0.045 0.000 1.209 171 F HN 0.271 nan 8.300 nan 0.000 0.462 172 D N 2.720 123.248 120.400 0.213 0.000 2.316 172 D HA 0.245 4.902 4.640 0.028 0.000 0.245 172 D C 0.300 176.722 176.300 0.204 0.000 1.171 172 D CA 0.162 54.270 54.000 0.179 0.000 0.856 172 D CB 1.089 41.983 40.800 0.156 0.000 1.090 172 D HN 0.558 nan 8.370 nan 0.000 0.476 173 L N 2.730 124.083 121.223 0.217 0.000 2.607 173 L HA 0.023 4.380 4.340 0.028 0.000 0.228 173 L C 2.158 179.261 176.870 0.389 0.000 1.123 173 L CA -0.177 54.826 54.840 0.271 0.000 0.890 173 L CB 0.025 42.225 42.059 0.235 0.000 1.103 173 L HN 0.281 nan 8.230 nan 0.000 0.468 174 S N 1.471 117.351 115.700 0.299 0.000 2.378 174 S HA -0.287 4.200 4.470 0.028 0.000 0.229 174 S C 1.953 176.686 174.600 0.221 0.000 1.052 174 S CA 1.962 60.304 58.200 0.237 0.000 1.084 174 S CB -0.185 63.114 63.200 0.164 0.000 0.950 174 S HN 0.563 nan 8.310 nan 0.000 0.440 175 A N -0.676 122.278 122.820 0.223 0.000 2.259 175 A HA 0.335 4.672 4.320 0.028 0.000 0.208 175 A C 1.144 178.691 177.584 -0.062 0.000 1.201 175 A CA 0.279 52.336 52.037 0.034 0.000 0.824 175 A CB -0.453 18.482 19.000 -0.108 0.000 0.838 175 A HN 0.460 nan 8.150 nan 0.000 0.485 176 F N -0.809 119.185 119.950 0.074 0.000 2.694 176 F HA 0.359 4.903 4.527 0.028 0.000 0.292 176 F C 0.900 176.736 175.800 0.060 0.000 1.121 176 F CA -0.280 57.761 58.000 0.069 0.000 1.352 176 F CB -0.074 38.974 39.000 0.079 0.000 1.107 176 F HN -0.003 nan 8.300 nan 0.000 0.597 177 L N 1.199 122.571 121.223 0.249 0.000 2.479 177 L HA 0.427 4.784 4.340 0.028 0.000 0.249 177 L C 0.398 177.301 176.870 0.054 0.000 1.178 177 L CA -0.685 54.232 54.840 0.128 0.000 0.811 177 L CB 0.688 42.829 42.059 0.137 0.000 1.187 177 L HN 0.009 nan 8.230 nan 0.000 0.480 178 R N 0.934 121.425 120.500 -0.015 0.000 2.707 178 R HA 0.618 4.975 4.340 0.028 0.000 0.272 178 R C -1.373 174.885 176.300 -0.070 0.000 1.011 178 R CA -0.680 55.404 56.100 -0.027 0.000 0.893 178 R CB 1.585 31.865 30.300 -0.034 0.000 1.233 178 R HN 0.585 nan 8.270 nan 0.000 0.464 179 A N 1.429 124.219 122.820 -0.049 0.000 2.540 179 A HA 0.472 4.808 4.320 0.028 0.000 0.239 179 A C 1.047 178.566 177.584 -0.109 0.000 1.061 179 A CA 1.344 53.337 52.037 -0.072 0.000 0.758 179 A CB -0.710 18.265 19.000 -0.042 0.000 0.991 179 A HN 1.566 nan 8.150 nan 0.000 0.502 180 G N 1.672 110.381 108.800 -0.151 0.000 2.464 180 G HA2 -0.075 3.902 3.960 0.028 0.000 0.216 180 G HA3 -0.075 3.902 3.960 0.028 0.000 0.216 180 G C -0.465 174.300 174.900 -0.225 0.000 1.186 180 G CA -0.161 44.844 45.100 -0.158 0.000 1.010 180 G HN 0.911 nan 8.290 nan 0.000 0.585 181 E N 1.847 121.937 120.200 -0.183 0.000 2.373 181 E HA 0.415 4.782 4.350 0.028 0.000 0.267 181 E C 0.161 176.608 176.600 -0.255 0.000 1.032 181 E CA 0.020 56.289 56.400 -0.218 0.000 0.889 181 E CB 0.660 30.275 29.700 -0.142 0.000 0.984 181 E HN 0.498 nan 8.360 nan 0.000 0.425 182 N N 1.783 120.264 118.700 -0.365 0.000 2.329 182 N HA 0.297 5.054 4.740 0.028 0.000 0.282 182 N C -0.883 174.541 175.510 -0.143 0.000 1.198 182 N CA -0.622 52.233 53.050 -0.325 0.000 0.790 182 N CB 2.770 40.909 38.487 -0.580 0.000 1.579 182 N HN 0.203 nan 8.380 nan 0.000 0.475 183 R N 1.874 122.370 120.500 -0.007 0.000 2.393 183 R HA 0.511 4.868 4.340 0.028 0.000 0.315 183 R C -0.982 175.379 176.300 0.102 0.000 0.952 183 R CA -0.466 55.663 56.100 0.048 0.000 0.842 183 R CB 1.015 31.295 30.300 -0.034 0.000 1.163 183 R HN 0.488 nan 8.270 nan 0.000 0.450 184 L N 2.713 124.004 121.223 0.113 0.000 2.344 184 L HA 0.745 5.101 4.340 0.028 0.000 0.272 184 L C -0.360 176.523 176.870 0.022 0.000 1.035 184 L CA -0.932 53.971 54.840 0.106 0.000 0.807 184 L CB 1.925 44.019 42.059 0.058 0.000 1.237 184 L HN 0.759 nan 8.230 nan 0.000 0.442 185 A N 2.654 125.513 122.820 0.066 0.000 2.402 185 A HA 0.704 5.041 4.320 0.028 0.000 0.291 185 A C -1.234 176.600 177.584 0.417 0.000 1.051 185 A CA -0.411 51.564 52.037 -0.103 0.000 0.716 185 A CB 1.534 20.074 19.000 -0.766 0.000 1.223 185 A HN 0.341 nan 8.150 nan 0.000 0.425 186 V N 2.907 123.224 119.914 0.672 0.000 2.483 186 V HA 0.544 4.681 4.120 0.028 0.000 0.297 186 V C -0.121 176.473 176.094 0.834 0.000 1.027 186 V CA -0.336 62.379 62.300 0.691 0.000 0.855 186 V CB 1.642 33.693 31.823 0.379 0.000 0.995 186 V HN 0.956 nan 8.190 nan 0.000 0.424 187 M N 5.853 125.933 119.600 0.800 0.000 2.044 187 M HA 0.564 5.061 4.480 0.028 0.000 0.333 187 M C -1.464 175.067 176.300 0.384 0.000 1.004 187 M CA -0.409 55.210 55.300 0.531 0.000 0.954 187 M CB 1.108 34.064 32.600 0.594 0.000 1.468 187 M HN 0.510 nan 8.290 nan 0.000 0.414 188 V N 6.329 126.422 119.914 0.297 0.000 2.439 188 V HA 0.432 4.569 4.120 0.028 0.000 0.282 188 V C -0.028 176.186 176.094 0.199 0.000 1.039 188 V CA -0.645 61.832 62.300 0.295 0.000 0.913 188 V CB 1.456 33.543 31.823 0.440 0.000 0.983 188 V HN 0.785 nan 8.190 nan 0.000 0.460 189 L N 4.501 125.794 121.223 0.116 0.000 2.317 189 L HA 0.543 4.900 4.340 0.028 0.000 0.281 189 L C 1.415 178.278 176.870 -0.011 0.000 1.024 189 L CA -0.565 54.267 54.840 -0.012 0.000 0.810 189 L CB 1.763 43.712 42.059 -0.184 0.000 1.240 189 L HN 0.640 nan 8.230 nan 0.000 0.427 190 R N 2.471 122.900 120.500 -0.118 0.000 2.062 190 R HA -0.049 4.307 4.340 0.028 0.000 0.231 190 R C -0.365 175.525 176.300 -0.682 0.000 1.136 190 R CA 1.494 57.267 56.100 -0.546 0.000 0.948 190 R CB 0.197 30.002 30.300 -0.824 0.000 0.845 190 R HN 0.557 nan 8.270 nan 0.000 0.430 191 W N -0.024 121.336 121.300 0.101 0.000 2.627 191 W HA 0.416 5.093 4.660 0.027 0.000 0.339 191 W C -0.374 176.252 176.519 0.178 0.000 1.058 191 W CA -0.799 56.615 57.345 0.115 0.000 1.223 191 W CB 1.827 31.360 29.460 0.121 0.000 1.389 191 W HN 0.057 nan 8.180 nan 0.000 0.541 192 S N -1.201 114.784 115.700 0.475 0.000 2.672 192 S HA 0.195 4.682 4.470 0.028 0.000 0.271 192 S C 0.102 174.966 174.600 0.440 0.000 1.171 192 S CA -0.469 58.026 58.200 0.491 0.000 0.817 192 S CB 1.166 64.626 63.200 0.433 0.000 1.150 192 S HN 0.648 nan 8.310 nan 0.000 0.478 193 D N 0.535 121.192 120.400 0.429 0.000 2.221 193 D HA 0.025 4.682 4.640 0.028 0.000 0.204 193 D C 1.757 178.394 176.300 0.562 0.000 0.982 193 D CA 1.313 55.615 54.000 0.503 0.000 0.857 193 D CB -0.712 40.247 40.800 0.265 0.000 0.934 193 D HN 0.711 nan 8.370 nan 0.000 0.475 194 G N 0.029 109.065 108.800 0.393 0.000 2.470 194 G HA2 -0.241 3.736 3.960 0.028 0.000 0.220 194 G HA3 -0.241 3.736 3.960 0.028 0.000 0.220 194 G C 1.668 176.768 174.900 0.333 0.000 1.121 194 G CA 0.660 45.969 45.100 0.348 0.000 0.766 194 G HN 0.308 nan 8.290 nan 0.000 0.553 195 S N 0.001 115.883 115.700 0.303 0.000 2.419 195 S HA -0.125 4.362 4.470 0.028 0.000 0.233 195 S C 1.890 176.592 174.600 0.170 0.000 1.016 195 S CA 0.748 59.093 58.200 0.242 0.000 0.974 195 S CB -0.423 62.966 63.200 0.316 0.000 0.786 195 S HN 0.551 nan 8.310 nan 0.000 0.492 196 Y N 1.449 121.903 120.300 0.257 0.000 2.333 196 Y HA 0.002 4.569 4.550 0.028 0.000 0.290 196 Y C 1.773 177.819 175.900 0.243 0.000 1.144 196 Y CA 0.742 58.928 58.100 0.143 0.000 1.228 196 Y CB -0.274 38.112 38.460 -0.123 0.000 0.985 196 Y HN 0.218 nan 8.280 nan 0.000 0.542 197 L N -0.422 121.019 121.223 0.364 0.000 2.592 197 L HA 0.067 4.424 4.340 0.028 0.000 0.227 197 L C 0.062 177.083 176.870 0.252 0.000 1.127 197 L CA 0.554 55.562 54.840 0.280 0.000 0.884 197 L CB -0.065 42.167 42.059 0.288 0.000 1.065 197 L HN 0.185 nan 8.230 nan 0.000 0.457 198 E N -0.069 120.289 120.200 0.264 0.000 3.582 198 E HA 0.043 4.410 4.350 0.028 0.000 0.217 198 E C -0.463 176.248 176.600 0.184 0.000 1.092 198 E CA -0.107 56.431 56.400 0.229 0.000 1.365 198 E CB 0.410 30.238 29.700 0.212 0.000 1.278 198 E HN 0.012 nan 8.360 nan 0.000 0.439 199 D N 1.279 121.747 120.400 0.114 0.000 2.519 199 D HA 0.009 4.666 4.640 0.028 0.000 0.238 199 D C -0.241 176.063 176.300 0.006 0.000 1.192 199 D CA -0.028 53.925 54.000 -0.078 0.000 0.835 199 D CB 0.106 40.628 40.800 -0.464 0.000 0.975 199 D HN 0.096 nan 8.370 nan 0.000 0.490 200 Q N 0.371 120.263 119.800 0.154 0.000 2.395 200 Q HA 0.112 4.469 4.340 0.028 0.000 0.271 200 Q C -0.030 176.083 176.000 0.187 0.000 1.026 200 Q CA 0.073 56.027 55.803 0.251 0.000 0.900 200 Q CB 0.495 29.549 28.738 0.526 0.000 1.266 200 Q HN 0.036 nan 8.270 nan 0.000 0.430 201 D N 2.800 123.332 120.400 0.221 0.000 2.441 201 D HA 0.205 4.862 4.640 0.028 0.000 0.243 201 D C -0.737 175.729 176.300 0.277 0.000 1.257 201 D CA 0.119 54.237 54.000 0.197 0.000 1.027 201 D CB -0.461 40.447 40.800 0.180 0.000 1.084 201 D HN 0.508 nan 8.370 nan 0.000 0.514 202 M N 0.391 120.126 119.600 0.225 0.000 3.069 202 M HA 0.346 4.843 4.480 0.028 0.000 0.274 202 M C -1.396 175.007 176.300 0.172 0.000 1.146 202 M CA -1.140 54.228 55.300 0.113 0.000 0.807 202 M CB 0.915 33.497 32.600 -0.031 0.000 1.621 202 M HN -0.084 nan 8.290 nan 0.000 0.521 203 W N 1.863 123.263 121.300 0.166 0.000 2.231 203 W HA 0.315 4.992 4.660 0.028 0.000 0.341 203 W C 0.309 176.848 176.519 0.033 0.000 1.298 203 W CA -0.007 57.410 57.345 0.121 0.000 1.266 203 W CB 0.289 29.758 29.460 0.014 0.000 1.172 203 W HN 0.307 nan 8.180 nan 0.000 0.568 204 R N 4.459 125.135 120.500 0.294 0.000 2.230 204 R HA 0.398 4.755 4.340 0.028 0.000 0.337 204 R C -0.110 176.210 176.300 0.034 0.000 1.063 204 R CA -0.220 55.986 56.100 0.177 0.000 0.935 204 R CB 0.021 30.509 30.300 0.315 0.000 1.121 204 R HN 0.527 nan 8.270 nan 0.000 0.486 205 M N 0.295 119.804 119.600 -0.151 0.000 2.821 205 M HA 0.533 5.030 4.480 0.028 0.000 0.294 205 M C 0.094 176.068 176.300 -0.543 0.000 1.195 205 M CA -0.824 54.262 55.300 -0.356 0.000 0.784 205 M CB 2.299 34.677 32.600 -0.370 0.000 1.755 205 M HN 0.628 nan 8.290 nan 0.000 0.477 206 S N -1.172 114.093 115.700 -0.725 0.000 2.636 206 S HA 0.942 5.429 4.470 0.028 0.000 0.268 206 S C -0.586 173.583 174.600 -0.718 0.000 1.159 206 S CA -0.116 57.606 58.200 -0.796 0.000 0.815 206 S CB 1.802 64.354 63.200 -1.079 0.000 1.130 206 S HN 1.466 nan 8.310 nan 0.000 0.471 207 G N -0.001 108.627 108.800 -0.287 0.000 2.331 207 G HA2 0.150 4.127 3.960 0.028 0.000 0.479 207 G HA3 0.150 4.127 3.960 0.028 0.000 0.479 207 G C -1.369 173.560 174.900 0.048 0.000 1.262 207 G CA -0.563 44.668 45.100 0.218 0.000 1.029 207 G HN 1.228 nan 8.290 nan 0.000 0.487 208 I N 2.189 122.626 120.570 -0.221 0.000 2.268 208 I HA 0.265 4.452 4.170 0.028 0.000 0.290 208 I C 1.205 177.203 176.117 -0.198 0.000 1.125 208 I CA -0.199 60.875 61.300 -0.377 0.000 1.236 208 I CB -0.318 37.202 38.000 -0.799 0.000 1.469 208 I HN 0.517 nan 8.210 nan 0.000 0.512 209 F N 3.652 123.466 119.950 -0.227 0.000 2.765 209 F HA 0.413 4.957 4.527 0.027 0.000 0.302 209 F C 0.766 176.494 175.800 -0.121 0.000 1.111 209 F CA -0.545 57.352 58.000 -0.172 0.000 1.359 209 F CB 0.092 38.996 39.000 -0.159 0.000 1.097 209 F HN 0.148 nan 8.300 nan 0.000 0.577 210 R N 0.670 120.776 120.500 -0.657 0.000 2.919 210 R HA 0.236 4.593 4.340 0.028 0.000 0.260 210 R C -0.727 175.382 176.300 -0.318 0.000 1.067 210 R CA -1.169 54.633 56.100 -0.498 0.000 1.003 210 R CB 0.871 30.796 30.300 -0.626 0.000 1.192 210 R HN -0.023 nan 8.270 nan 0.000 0.488 211 D N 0.813 121.072 120.400 -0.236 0.000 2.419 211 D HA 0.097 4.754 4.640 0.028 0.000 0.236 211 D C -0.369 175.794 176.300 -0.230 0.000 1.165 211 D CA 0.398 54.288 54.000 -0.184 0.000 0.882 211 D CB 0.743 41.467 40.800 -0.127 0.000 1.201 211 D HN 0.001 nan 8.370 nan 0.000 0.443 212 V N 0.780 120.566 119.914 -0.214 0.000 2.604 212 V HA 0.625 4.762 4.120 0.028 0.000 0.305 212 V C 0.127 176.099 176.094 -0.204 0.000 1.043 212 V CA -0.599 61.509 62.300 -0.320 0.000 0.888 212 V CB 1.672 33.303 31.823 -0.321 0.000 0.995 212 V HN 0.778 nan 8.190 nan 0.000 0.429 213 S N 4.060 119.612 115.700 -0.247 0.000 2.625 213 S HA 0.848 5.335 4.470 0.028 0.000 0.271 213 S C -1.648 172.908 174.600 -0.073 0.000 1.161 213 S CA -0.814 57.318 58.200 -0.113 0.000 0.820 213 S CB 2.024 65.193 63.200 -0.053 0.000 1.137 213 S HN 0.438 nan 8.310 nan 0.000 0.470 214 L N 1.392 122.645 121.223 0.051 0.000 2.362 214 L HA 0.768 5.125 4.340 0.028 0.000 0.275 214 L C -1.320 175.723 176.870 0.288 0.000 0.998 214 L CA -0.736 54.215 54.840 0.186 0.000 0.820 214 L CB 1.580 43.786 42.059 0.244 0.000 1.270 214 L HN 0.848 nan 8.230 nan 0.000 0.415 215 L N 4.246 125.603 121.223 0.224 0.000 2.341 215 L HA 0.495 4.851 4.340 0.028 0.000 0.278 215 L C -0.891 175.973 176.870 -0.009 0.000 1.005 215 L CA -0.160 54.742 54.840 0.104 0.000 0.818 215 L CB 1.281 43.373 42.059 0.055 0.000 1.259 215 L HN 0.627 nan 8.230 nan 0.000 0.418 216 H N 5.077 123.901 119.070 -0.411 0.000 2.458 216 H HA 0.520 5.093 4.556 0.028 0.000 0.330 216 H C -1.261 173.844 175.328 -0.372 0.000 1.111 216 H CA -0.660 55.024 56.048 -0.607 0.000 1.245 216 H CB 1.272 30.166 29.762 -1.447 0.000 1.456 216 H HN 0.522 nan 8.280 nan 0.000 0.488 217 K N 4.863 124.745 120.400 -0.863 0.000 2.435 217 K HA 0.345 4.682 4.320 0.028 0.000 0.251 217 K C -2.810 173.429 176.600 -0.602 0.000 0.954 217 K CA -2.033 53.932 56.287 -0.537 0.000 0.820 217 K CB 2.318 34.623 32.500 -0.326 0.000 1.292 217 K HN 0.499 nan 8.250 nan 0.000 0.436 218 P HA 0.130 nan 4.420 nan 0.000 0.274 218 P C 0.544 177.746 177.300 -0.162 0.000 1.231 218 P CA -0.126 62.858 63.100 -0.193 0.000 0.790 218 P CB 0.482 32.130 31.700 -0.086 0.000 0.951 219 T N -0.161 114.332 114.554 -0.102 0.000 2.699 219 T HA -0.078 4.289 4.350 0.028 0.000 0.268 219 T C 0.615 175.270 174.700 -0.075 0.000 1.036 219 T CA 1.721 63.778 62.100 -0.073 0.000 1.147 219 T CB -0.633 68.214 68.868 -0.034 0.000 0.862 219 T HN 0.473 nan 8.240 nan 0.000 0.446 220 T N 3.646 118.159 114.554 -0.067 0.000 2.781 220 T HA 0.467 4.834 4.350 0.028 0.000 0.305 220 T C -0.293 174.357 174.700 -0.083 0.000 1.001 220 T CA -0.655 61.398 62.100 -0.079 0.000 0.950 220 T CB 0.744 69.575 68.868 -0.061 0.000 0.955 220 T HN 0.473 nan 8.240 nan 0.000 0.471 221 Q N 2.380 122.116 119.800 -0.107 0.000 2.553 221 Q HA 0.596 4.953 4.340 0.028 0.000 0.293 221 Q C -1.220 174.710 176.000 -0.116 0.000 1.038 221 Q CA -1.184 54.544 55.803 -0.124 0.000 0.777 221 Q CB 1.416 30.055 28.738 -0.165 0.000 1.487 221 Q HN 0.453 nan 8.270 nan 0.000 0.426 222 I N 2.789 123.267 120.570 -0.154 0.000 2.347 222 I HA 0.013 4.200 4.170 0.028 0.000 0.294 222 I C 0.731 176.739 176.117 -0.182 0.000 1.090 222 I CA -0.034 61.188 61.300 -0.130 0.000 1.314 222 I CB 0.851 38.734 38.000 -0.195 0.000 1.423 222 I HN 0.818 nan 8.210 nan 0.000 0.503 223 S N 2.644 118.340 115.700 -0.006 0.000 2.548 223 S HA 0.153 4.639 4.470 0.028 0.000 0.215 223 S C 0.180 174.987 174.600 0.345 0.000 0.976 223 S CA -0.240 58.033 58.200 0.122 0.000 0.908 223 S CB 0.067 63.297 63.200 0.050 0.000 0.781 223 S HN 0.718 nan 8.310 nan 0.000 0.519 224 D N -0.343 120.264 120.400 0.345 0.000 2.766 224 D HA 0.475 5.132 4.640 0.028 0.000 0.244 224 D C -1.886 174.573 176.300 0.264 0.000 1.198 224 D CA -0.754 53.444 54.000 0.330 0.000 0.739 224 D CB 1.158 42.035 40.800 0.128 0.000 1.379 224 D HN 0.183 nan 8.370 nan 0.000 0.437 225 F N -0.315 119.670 119.950 0.058 0.000 2.615 225 F HA 0.629 5.173 4.527 0.028 0.000 0.312 225 F C -1.459 174.363 175.800 0.037 0.000 1.119 225 F CA -0.770 57.191 58.000 -0.064 0.000 0.979 225 F CB 1.200 40.222 39.000 0.036 0.000 1.266 225 F HN 0.261 nan 8.300 nan 0.000 0.444 226 H N 1.936 121.059 119.070 0.088 0.000 2.572 226 H HA 0.797 5.371 4.556 0.029 0.000 0.359 226 H C -1.274 174.095 175.328 0.069 0.000 1.134 226 H CA -1.571 54.473 56.048 -0.008 0.000 1.187 226 H CB 2.729 32.473 29.762 -0.030 0.000 1.597 226 H HN 0.607 nan 8.280 nan 0.000 0.524 227 V N 1.994 122.010 119.914 0.171 0.000 2.487 227 V HA 0.638 4.775 4.120 0.028 0.000 0.298 227 V C -0.454 175.632 176.094 -0.013 0.000 1.028 227 V CA -0.591 61.755 62.300 0.078 0.000 0.860 227 V CB 1.385 33.253 31.823 0.075 0.000 0.991 227 V HN 0.934 nan 8.190 nan 0.000 0.427 228 A N 3.209 125.995 122.820 -0.056 0.000 2.386 228 A HA 0.932 5.269 4.320 0.028 0.000 0.311 228 A C -0.124 177.346 177.584 -0.190 0.000 1.068 228 A CA -0.529 51.453 52.037 -0.092 0.000 0.743 228 A CB 1.853 20.823 19.000 -0.050 0.000 1.258 228 A HN 0.913 nan 8.150 nan 0.000 0.429 229 T N -0.271 114.145 114.554 -0.230 0.000 2.809 229 T HA 0.704 5.071 4.350 0.028 0.000 0.284 229 T C -0.394 174.094 174.700 -0.353 0.000 0.992 229 T CA -0.797 61.055 62.100 -0.413 0.000 0.957 229 T CB 0.928 69.375 68.868 -0.703 0.000 0.942 229 T HN 0.972 nan 8.240 nan 0.000 0.439 230 R N 1.796 122.039 120.500 -0.429 0.000 2.803 230 R HA 0.858 5.215 4.340 0.028 0.000 0.276 230 R C -1.607 174.413 176.300 -0.466 0.000 0.978 230 R CA -0.949 54.991 56.100 -0.267 0.000 0.939 230 R CB 1.272 31.530 30.300 -0.071 0.000 1.179 230 R HN 0.468 nan 8.270 nan 0.000 0.472 231 F N 0.294 120.236 119.950 -0.014 0.000 2.640 231 F HA 0.395 4.937 4.527 0.027 0.000 0.324 231 F C 0.202 175.882 175.800 -0.200 0.000 1.077 231 F CA -1.025 56.919 58.000 -0.093 0.000 0.965 231 F CB 1.413 40.289 39.000 -0.207 0.000 1.351 231 F HN 0.730 nan 8.300 nan 0.000 0.487 232 N N 0.053 118.756 118.700 0.006 0.000 2.364 232 N HA 0.049 4.805 4.740 0.028 0.000 0.264 232 N C 0.460 175.823 175.510 -0.244 0.000 1.263 232 N CA -0.085 52.914 53.050 -0.084 0.000 0.959 232 N CB 0.192 38.656 38.487 -0.037 0.000 1.204 232 N HN 0.691 nan 8.380 nan 0.000 0.550 233 D N -1.157 119.145 120.400 -0.164 0.000 2.182 233 D HA -0.240 4.417 4.640 0.028 0.000 0.201 233 D C 0.276 176.464 176.300 -0.187 0.000 0.986 233 D CA 1.564 55.459 54.000 -0.174 0.000 0.847 233 D CB -0.485 40.278 40.800 -0.062 0.000 0.942 233 D HN 0.731 nan 8.370 nan 0.000 0.467 234 D N -1.503 118.836 120.400 -0.102 0.000 2.462 234 D HA 0.022 4.679 4.640 0.028 0.000 0.221 234 D C 0.053 176.479 176.300 0.211 0.000 1.173 234 D CA -0.965 53.083 54.000 0.080 0.000 0.831 234 D CB -1.107 39.757 40.800 0.105 0.000 1.001 234 D HN 0.191 nan 8.370 nan 0.000 0.499 235 F N 0.644 120.642 119.950 0.080 0.000 3.057 235 F HA -0.280 4.263 4.527 0.026 0.000 0.287 235 F C 1.530 177.410 175.800 0.134 0.000 0.834 235 F CA 0.817 58.873 58.000 0.095 0.000 1.147 235 F CB -2.589 36.350 39.000 -0.103 0.000 1.245 235 F HN 0.202 nan 8.300 nan 0.000 0.509 236 S N -1.456 114.350 115.700 0.177 0.000 2.517 236 S HA 0.318 4.805 4.470 0.028 0.000 0.214 236 S C 0.607 175.266 174.600 0.099 0.000 0.991 236 S CA -0.158 58.119 58.200 0.128 0.000 0.906 236 S CB 0.490 63.739 63.200 0.082 0.000 0.789 236 S HN 0.458 nan 8.310 nan 0.000 0.513 237 R N 0.327 120.892 120.500 0.108 0.000 2.673 237 R HA 0.822 5.179 4.340 0.028 0.000 0.281 237 R C -1.220 175.121 176.300 0.068 0.000 0.991 237 R CA -0.386 55.746 56.100 0.054 0.000 0.896 237 R CB 2.174 32.480 30.300 0.011 0.000 1.201 237 R HN 0.242 nan 8.270 nan 0.000 0.457 238 A N 1.636 124.432 122.820 -0.039 0.000 2.532 238 A HA 0.794 5.131 4.320 0.028 0.000 0.290 238 A C -1.301 176.196 177.584 -0.144 0.000 1.143 238 A CA -0.706 51.207 52.037 -0.206 0.000 0.728 238 A CB 2.061 20.870 19.000 -0.317 0.000 1.317 238 A HN 0.341 nan 8.150 nan 0.000 0.414 239 V N 0.932 120.734 119.914 -0.186 0.000 2.588 239 V HA 0.470 4.607 4.120 0.028 0.000 0.304 239 V C -0.723 175.296 176.094 -0.125 0.000 1.042 239 V CA -0.401 61.833 62.300 -0.110 0.000 0.877 239 V CB 1.540 33.306 31.823 -0.095 0.000 0.996 239 V HN 0.794 nan 8.190 nan 0.000 0.425 240 L N 4.493 125.677 121.223 -0.065 0.000 2.272 240 L HA 0.615 4.972 4.340 0.028 0.000 0.289 240 L C -0.109 176.708 176.870 -0.089 0.000 1.032 240 L CA 0.066 54.837 54.840 -0.115 0.000 0.810 240 L CB 1.058 43.076 42.059 -0.069 0.000 1.205 240 L HN 0.752 nan 8.230 nan 0.000 0.422 241 E N 4.238 124.380 120.200 -0.096 0.000 2.165 241 E HA 0.667 5.034 4.350 0.028 0.000 0.266 241 E C -1.403 175.182 176.600 -0.025 0.000 0.889 241 E CA -0.728 55.639 56.400 -0.054 0.000 0.756 241 E CB 1.703 31.375 29.700 -0.048 0.000 1.131 241 E HN 0.704 nan 8.360 nan 0.000 0.411 242 A N 4.495 127.308 122.820 -0.011 0.000 2.319 242 A HA 0.347 4.683 4.320 0.028 0.000 0.310 242 A C -0.785 176.806 177.584 0.012 0.000 1.152 242 A CA -0.656 51.397 52.037 0.028 0.000 0.783 242 A CB 1.205 20.223 19.000 0.029 0.000 1.184 242 A HN 0.701 nan 8.150 nan 0.000 0.474 243 E N 2.513 122.727 120.200 0.023 0.000 2.156 243 E HA 0.559 4.925 4.350 0.028 0.000 0.279 243 E C -1.386 175.186 176.600 -0.047 0.000 0.965 243 E CA -0.391 55.988 56.400 -0.035 0.000 0.789 243 E CB 1.241 30.900 29.700 -0.067 0.000 1.098 243 E HN 0.401 nan 8.360 nan 0.000 0.397 244 V N 4.592 124.497 119.914 -0.016 0.000 2.604 244 V HA 0.327 4.464 4.120 0.028 0.000 0.305 244 V C -0.458 175.702 176.094 0.109 0.000 1.043 244 V CA -0.796 61.534 62.300 0.049 0.000 0.888 244 V CB 1.723 33.561 31.823 0.026 0.000 0.995 244 V HN 0.736 nan 8.190 nan 0.000 0.429 245 Q N 4.110 123.972 119.800 0.103 0.000 2.365 245 Q HA 0.827 5.184 4.340 0.028 0.000 0.269 245 Q C -0.857 175.187 176.000 0.073 0.000 1.061 245 Q CA -0.812 55.039 55.803 0.080 0.000 0.816 245 Q CB 2.755 31.478 28.738 -0.025 0.000 1.325 245 Q HN 0.846 nan 8.270 nan 0.000 0.446 246 M N -0.909 118.652 119.600 -0.066 0.000 2.690 246 M HA 0.772 5.268 4.480 0.028 0.000 0.302 246 M C -1.340 174.852 176.300 -0.179 0.000 1.234 246 M CA -0.443 54.762 55.300 -0.159 0.000 0.853 246 M CB 1.765 34.120 32.600 -0.409 0.000 1.748 246 M HN 0.516 nan 8.290 nan 0.000 0.469 247 C N 0.815 120.029 119.300 -0.144 0.000 2.667 247 C HA 1.023 5.500 4.460 0.028 0.000 0.323 247 C C 0.798 175.708 174.990 -0.132 0.000 1.214 247 C CA 0.743 59.691 59.018 -0.118 0.000 1.721 247 C CB 1.099 28.798 27.740 -0.068 0.000 2.275 247 C HN 1.388 nan 8.230 nan 0.000 0.491 248 G N 1.615 110.349 108.800 -0.109 0.000 2.451 248 G HA2 -0.063 3.913 3.960 0.028 0.000 0.208 248 G HA3 -0.063 3.913 3.960 0.028 0.000 0.208 248 G C -0.894 173.937 174.900 -0.115 0.000 1.248 248 G CA -0.502 44.539 45.100 -0.099 0.000 0.989 248 G HN 0.773 nan 8.290 nan 0.000 0.559 249 E N 0.613 120.751 120.200 -0.104 0.000 2.130 249 E HA 0.458 4.825 4.350 0.028 0.000 0.284 249 E C 0.471 176.971 176.600 -0.167 0.000 1.018 249 E CA -0.299 56.035 56.400 -0.111 0.000 0.817 249 E CB 0.785 30.446 29.700 -0.065 0.000 1.078 249 E HN 0.412 nan 8.360 nan 0.000 0.396 250 L N 4.118 125.232 121.223 -0.181 0.000 2.452 250 L HA 0.271 4.628 4.340 0.028 0.000 0.267 250 L C 0.576 177.321 176.870 -0.208 0.000 1.188 250 L CA 0.127 54.834 54.840 -0.222 0.000 0.821 250 L CB 0.410 42.355 42.059 -0.191 0.000 1.102 250 L HN 0.317 nan 8.230 nan 0.000 0.470 251 R N 0.825 121.160 120.500 -0.276 0.000 2.663 251 R HA 0.152 4.508 4.340 0.028 0.000 0.267 251 R C -0.331 175.805 176.300 -0.274 0.000 1.038 251 R CA -0.751 55.151 56.100 -0.330 0.000 0.886 251 R CB 1.095 30.954 30.300 -0.735 0.000 1.249 251 R HN 0.561 nan 8.270 nan 0.000 0.463 252 D N 0.934 121.266 120.400 -0.112 0.000 2.218 252 D HA -0.140 4.517 4.640 0.028 0.000 0.204 252 D C 1.425 177.735 176.300 0.016 0.000 0.976 252 D CA 1.695 55.684 54.000 -0.018 0.000 0.853 252 D CB 0.200 41.020 40.800 0.034 0.000 0.939 252 D HN 0.576 nan 8.370 nan 0.000 0.481 253 Y N 0.248 120.563 120.300 0.024 0.000 2.578 253 Y HA 0.231 4.798 4.550 0.028 0.000 0.297 253 Y C 0.892 176.798 175.900 0.009 0.000 1.176 253 Y CA -0.360 57.750 58.100 0.017 0.000 1.315 253 Y CB -0.715 37.757 38.460 0.021 0.000 1.031 253 Y HN -0.199 nan 8.280 nan 0.000 0.524 254 L N 2.629 123.730 121.223 -0.204 0.000 2.439 254 L HA 0.319 4.675 4.340 0.028 0.000 0.269 254 L C 0.236 177.042 176.870 -0.107 0.000 1.179 254 L CA -0.111 54.666 54.840 -0.104 0.000 0.828 254 L CB 0.510 42.559 42.059 -0.016 0.000 1.106 254 L HN 0.218 nan 8.230 nan 0.000 0.467 255 R N 1.637 121.966 120.500 -0.286 0.000 2.739 255 R HA 0.648 5.004 4.340 0.028 0.000 0.271 255 R C -1.607 174.297 176.300 -0.660 0.000 1.010 255 R CA -0.800 54.990 56.100 -0.516 0.000 0.897 255 R CB 2.190 32.104 30.300 -0.643 0.000 1.236 255 R HN 0.267 nan 8.270 nan 0.000 0.466 256 V N 1.126 120.701 119.914 -0.565 0.000 2.487 256 V HA 0.451 4.588 4.120 0.028 0.000 0.298 256 V C -0.299 175.699 176.094 -0.161 0.000 1.028 256 V CA -0.556 61.513 62.300 -0.384 0.000 0.860 256 V CB 2.155 33.703 31.823 -0.459 0.000 0.991 256 V HN 0.710 nan 8.190 nan 0.000 0.427 257 T N 4.299 118.873 114.554 0.035 0.000 2.792 257 T HA 0.599 4.965 4.350 0.028 0.000 0.280 257 T C -0.559 174.147 174.700 0.009 0.000 0.990 257 T CA -0.353 61.800 62.100 0.089 0.000 0.960 257 T CB 1.577 70.562 68.868 0.194 0.000 0.939 257 T HN 0.344 nan 8.240 nan 0.000 0.439 258 V N 4.139 124.039 119.914 -0.022 0.000 2.407 258 V HA 0.647 4.783 4.120 0.028 0.000 0.291 258 V C 0.018 176.101 176.094 -0.019 0.000 1.018 258 V CA -0.714 61.567 62.300 -0.032 0.000 0.842 258 V CB 1.445 33.237 31.823 -0.050 0.000 0.996 258 V HN 1.055 nan 8.190 nan 0.000 0.426 259 S N 5.184 120.894 115.700 0.016 0.000 2.634 259 S HA 0.917 5.404 4.470 0.028 0.000 0.296 259 S C -1.119 173.493 174.600 0.020 0.000 1.104 259 S CA -0.871 57.317 58.200 -0.021 0.000 0.920 259 S CB 2.413 65.592 63.200 -0.035 0.000 1.111 259 S HN 0.523 nan 8.310 nan 0.000 0.493 260 L N 1.099 122.244 121.223 -0.129 0.000 2.385 260 L HA 0.782 5.139 4.340 0.028 0.000 0.273 260 L C -2.150 174.594 176.870 -0.210 0.000 0.990 260 L CA -0.237 54.600 54.840 -0.006 0.000 0.821 260 L CB 1.288 43.369 42.059 0.037 0.000 1.279 260 L HN 0.907 nan 8.230 nan 0.000 0.412 261 W N 3.324 124.717 121.300 0.155 0.000 2.819 261 W HA 0.540 5.217 4.660 0.028 0.000 0.337 261 W C -0.489 176.128 176.519 0.163 0.000 1.077 261 W CA -0.445 56.976 57.345 0.125 0.000 1.226 261 W CB 1.549 31.036 29.460 0.046 0.000 1.419 261 W HN 0.418 nan 8.180 nan 0.000 0.502 262 Q N 2.915 122.889 119.800 0.290 0.000 2.563 262 Q HA 0.459 4.815 4.340 0.028 0.000 0.232 262 Q C 0.799 176.830 176.000 0.053 0.000 1.106 262 Q CA 0.647 56.441 55.803 -0.015 0.000 0.913 262 Q CB 0.105 28.759 28.738 -0.142 0.000 1.175 262 Q HN 0.800 nan 8.270 nan 0.000 0.540 263 G N 2.734 111.574 108.800 0.067 0.000 2.561 263 G HA2 -0.357 3.620 3.960 0.028 0.000 0.289 263 G HA3 -0.357 3.620 3.960 0.028 0.000 0.289 263 G C 0.443 175.408 174.900 0.108 0.000 1.169 263 G CA 0.292 45.421 45.100 0.048 0.000 0.980 263 G HN 0.648 nan 8.290 nan 0.000 0.550 264 E N 1.005 121.254 120.200 0.082 0.000 2.502 264 E HA 0.105 4.472 4.350 0.028 0.000 0.194 264 E C 0.517 177.301 176.600 0.305 0.000 1.062 264 E CA 0.762 57.217 56.400 0.092 0.000 0.867 264 E CB 0.005 29.715 29.700 0.018 0.000 0.888 264 E HN 0.357 nan 8.360 nan 0.000 0.510 265 T N 1.206 115.961 114.554 0.336 0.000 2.767 265 T HA 0.124 4.491 4.350 0.028 0.000 0.288 265 T C -0.172 174.675 174.700 0.246 0.000 0.963 265 T CA -0.306 61.968 62.100 0.291 0.000 1.019 265 T CB 1.598 70.532 68.868 0.110 0.000 0.923 265 T HN 0.034 nan 8.240 nan 0.000 0.468 266 Q N 3.159 122.809 119.800 -0.251 0.000 2.288 266 Q HA 0.304 4.661 4.340 0.028 0.000 0.258 266 Q C 0.226 175.932 176.000 -0.490 0.000 0.957 266 Q CA -0.385 54.758 55.803 -1.099 0.000 0.919 266 Q CB 0.776 28.463 28.738 -1.751 0.000 1.185 266 Q HN 0.517 nan 8.270 nan 0.000 0.408 267 V N 2.949 122.635 119.914 -0.381 0.000 2.685 267 V HA 0.309 4.446 4.120 0.028 0.000 0.244 267 V C 0.267 176.250 176.094 -0.184 0.000 1.054 267 V CA 1.228 63.428 62.300 -0.167 0.000 1.076 267 V CB 0.482 32.303 31.823 -0.004 0.000 0.725 267 V HN 0.828 nan 8.190 nan 0.000 0.467 268 A N -1.252 121.421 122.820 -0.245 0.000 2.610 268 A HA 0.791 5.128 4.320 0.028 0.000 0.291 268 A C -0.821 176.638 177.584 -0.208 0.000 1.086 268 A CA -0.018 51.910 52.037 -0.181 0.000 0.677 268 A CB 1.971 20.904 19.000 -0.112 0.000 1.278 268 A HN 0.079 nan 8.150 nan 0.000 0.414 269 S N -0.958 114.654 115.700 -0.146 0.000 2.537 269 S HA 0.784 5.271 4.470 0.028 0.000 0.271 269 S C -0.627 173.929 174.600 -0.074 0.000 1.148 269 S CA 0.242 58.372 58.200 -0.116 0.000 0.868 269 S CB 1.624 64.746 63.200 -0.130 0.000 1.115 269 S HN 2.357 nan 8.310 nan 0.000 0.461 270 G N 1.774 110.542 108.800 -0.054 0.000 2.746 270 G HA2 0.647 4.624 3.960 0.028 0.000 0.297 270 G HA3 0.647 4.624 3.960 0.028 0.000 0.297 270 G C -1.360 173.518 174.900 -0.037 0.000 1.426 270 G CA -0.401 44.671 45.100 -0.046 0.000 0.989 270 G HN 0.733 nan 8.290 nan 0.000 0.520 271 T N -0.347 114.186 114.554 -0.035 0.000 2.903 271 T HA 0.906 5.273 4.350 0.028 0.000 0.299 271 T C -0.402 174.255 174.700 -0.073 0.000 1.093 271 T CA 0.061 62.139 62.100 -0.036 0.000 1.002 271 T CB 1.929 70.809 68.868 0.021 0.000 1.127 271 T HN 1.800 nan 8.240 nan 0.000 0.488 272 A N 2.596 125.338 122.820 -0.131 0.000 2.597 272 A HA 0.827 5.164 4.320 0.028 0.000 0.292 272 A C -3.192 174.243 177.584 -0.247 0.000 1.057 272 A CA -1.394 50.553 52.037 -0.151 0.000 0.674 272 A CB 0.908 19.830 19.000 -0.130 0.000 1.278 272 A HN 0.528 nan 8.150 nan 0.000 0.416 273 P HA 0.495 nan 4.420 nan 0.000 0.276 273 P C -0.370 176.784 177.300 -0.244 0.000 1.252 273 P CA -0.170 62.817 63.100 -0.189 0.000 0.802 273 P CB 0.292 31.954 31.700 -0.063 0.000 1.035 274 F N 0.151 120.056 119.950 -0.076 0.000 2.490 274 F HA 0.408 4.952 4.527 0.027 0.000 0.336 274 F C 1.500 177.280 175.800 -0.033 0.000 1.178 274 F CA 1.739 59.703 58.000 -0.059 0.000 1.301 274 F CB 0.096 39.053 39.000 -0.072 0.000 1.175 274 F HN 0.590 nan 8.300 nan 0.000 0.593 275 G N 1.463 110.419 108.800 0.261 0.000 3.393 275 G HA2 0.337 4.313 3.960 0.028 0.000 0.676 275 G HA3 0.337 4.313 3.960 0.028 0.000 0.676 275 G C -0.647 174.313 174.900 0.101 0.000 1.224 275 G CA -0.755 44.433 45.100 0.146 0.000 1.109 275 G HN 1.048 nan 8.290 nan 0.000 0.519 276 G N 1.183 110.058 108.800 0.125 0.000 2.488 276 G HA2 0.810 4.787 3.960 0.028 0.000 0.318 276 G HA3 0.810 4.787 3.960 0.028 0.000 0.318 276 G C 0.387 175.335 174.900 0.080 0.000 1.188 276 G CA 0.010 45.173 45.100 0.105 0.000 0.944 276 G HN 1.060 nan 8.290 nan 0.000 0.495 277 E N -0.035 120.203 120.200 0.063 0.000 2.422 277 E HA -0.009 4.357 4.350 0.028 0.000 0.260 277 E C -0.338 176.288 176.600 0.045 0.000 1.108 277 E CA -0.436 55.989 56.400 0.043 0.000 0.943 277 E CB 0.589 30.308 29.700 0.032 0.000 0.961 277 E HN 0.055 nan 8.360 nan 0.000 0.443 278 I N 1.827 122.411 120.570 0.023 0.000 2.683 278 I HA -0.101 4.086 4.170 0.028 0.000 0.286 278 I C 1.324 177.450 176.117 0.015 0.000 1.175 278 I CA 0.150 61.455 61.300 0.009 0.000 1.429 278 I CB -0.151 37.849 38.000 0.000 0.000 1.371 278 I HN 0.627 nan 8.210 nan 0.000 0.569 279 I N 1.230 121.803 120.570 0.004 0.000 4.032 279 I HA 0.381 4.568 4.170 0.028 0.000 0.313 279 I C -0.279 175.837 176.117 -0.002 0.000 1.272 279 I CA -0.003 61.308 61.300 0.018 0.000 1.307 279 I CB 0.328 38.361 38.000 0.055 0.000 1.155 279 I HN 0.548 nan 8.210 nan 0.000 0.431 280 D N -0.324 120.060 120.400 -0.025 0.000 2.825 280 D HA 0.218 4.875 4.640 0.028 0.000 0.327 280 D C 0.276 176.559 176.300 -0.028 0.000 1.277 280 D CA -0.561 53.425 54.000 -0.024 0.000 0.950 280 D CB 0.630 41.413 40.800 -0.029 0.000 1.438 280 D HN -0.161 nan 8.370 nan 0.000 0.526 281 E N -0.901 119.285 120.200 -0.024 0.000 2.209 281 E HA -0.080 4.286 4.350 0.028 0.000 0.196 281 E C 1.323 177.904 176.600 -0.032 0.000 0.993 281 E CA 0.996 57.383 56.400 -0.023 0.000 0.819 281 E CB -0.047 29.642 29.700 -0.018 0.000 0.745 281 E HN 0.225 nan 8.360 nan 0.000 0.477 282 R N -0.104 120.368 120.500 -0.047 0.000 2.320 282 R HA 0.224 4.580 4.340 0.028 0.000 0.211 282 R C 0.946 177.203 176.300 -0.072 0.000 0.931 282 R CA 0.717 56.781 56.100 -0.060 0.000 1.071 282 R CB 0.104 30.362 30.300 -0.070 0.000 1.025 282 R HN 0.238 nan 8.270 nan 0.000 0.495 283 G N -0.497 108.265 108.800 -0.063 0.000 2.601 283 G HA2 -0.185 3.792 3.960 0.028 0.000 0.224 283 G HA3 -0.185 3.792 3.960 0.028 0.000 0.224 283 G C -0.028 174.824 174.900 -0.079 0.000 1.171 283 G CA -0.538 44.526 45.100 -0.060 0.000 1.009 283 G HN 0.567 nan 8.290 nan 0.000 0.589 284 G N -2.093 106.652 108.800 -0.092 0.000 2.921 284 G HA2 0.630 4.607 3.960 0.028 0.000 0.291 284 G HA3 0.630 4.607 3.960 0.028 0.000 0.291 284 G C -1.552 173.241 174.900 -0.178 0.000 1.370 284 G CA -0.597 44.444 45.100 -0.099 0.000 0.847 284 G HN 0.813 nan 8.290 nan 0.000 0.532 285 Y N 1.268 121.576 120.300 0.013 0.000 2.504 285 Y HA 0.402 4.968 4.550 0.027 0.000 0.351 285 Y C 1.511 177.423 175.900 0.021 0.000 0.988 285 Y CA 0.211 58.318 58.100 0.013 0.000 1.239 285 Y CB 1.609 40.082 38.460 0.022 0.000 1.128 285 Y HN 0.560 nan 8.280 nan 0.000 0.525 286 A N 1.889 124.770 122.820 0.102 0.000 2.014 286 A HA -0.142 4.195 4.320 0.028 0.000 0.218 286 A C 1.411 179.032 177.584 0.062 0.000 1.163 286 A CA 1.332 53.411 52.037 0.069 0.000 0.652 286 A CB -0.237 18.766 19.000 0.004 0.000 0.808 286 A HN 0.789 nan 8.150 nan 0.000 0.449 287 D N -0.668 119.750 120.400 0.029 0.000 2.434 287 D HA 0.175 4.832 4.640 0.028 0.000 0.232 287 D C 0.412 176.692 176.300 -0.032 0.000 1.166 287 D CA -0.048 53.852 54.000 -0.166 0.000 0.830 287 D CB -0.124 40.581 40.800 -0.157 0.000 0.960 287 D HN 0.412 nan 8.370 nan 0.000 0.497 288 R N -1.271 119.385 120.500 0.260 0.000 2.764 288 R HA 0.745 5.102 4.340 0.028 0.000 0.270 288 R C -1.757 174.735 176.300 0.320 0.000 1.014 288 R CA -1.146 55.138 56.100 0.306 0.000 0.904 288 R CB 2.761 33.102 30.300 0.069 0.000 1.236 288 R HN -0.024 nan 8.270 nan 0.000 0.466 289 V N 0.219 120.215 119.914 0.138 0.000 3.098 289 V HA 0.511 4.648 4.120 0.028 0.000 0.294 289 V C -1.657 174.411 176.094 -0.044 0.000 1.351 289 V CA -0.284 62.009 62.300 -0.011 0.000 0.999 289 V CB 2.766 34.472 31.823 -0.194 0.000 1.104 289 V HN 0.828 nan 8.190 nan 0.000 0.438 290 T N 7.046 121.575 114.554 -0.042 0.000 2.807 290 T HA 0.635 5.002 4.350 0.028 0.000 0.279 290 T C -1.043 173.626 174.700 -0.052 0.000 0.993 290 T CA -0.454 61.623 62.100 -0.039 0.000 0.970 290 T CB 1.275 70.131 68.868 -0.020 0.000 0.950 290 T HN 0.448 nan 8.240 nan 0.000 0.441 291 L N 3.258 124.448 121.223 -0.055 0.000 2.325 291 L HA 0.585 4.941 4.340 0.028 0.000 0.278 291 L C 0.326 177.168 176.870 -0.046 0.000 1.023 291 L CA -0.489 54.316 54.840 -0.059 0.000 0.811 291 L CB 1.602 43.621 42.059 -0.065 0.000 1.249 291 L HN 0.561 nan 8.230 nan 0.000 0.431 292 R N 4.135 124.607 120.500 -0.046 0.000 2.480 292 R HA 0.679 5.036 4.340 0.028 0.000 0.306 292 R C -1.191 175.081 176.300 -0.046 0.000 0.958 292 R CA -0.697 55.376 56.100 -0.045 0.000 0.861 292 R CB 2.109 32.385 30.300 -0.041 0.000 1.171 292 R HN 0.465 nan 8.270 nan 0.000 0.445 293 L N 3.128 124.324 121.223 -0.046 0.000 2.349 293 L HA 0.425 4.782 4.340 0.028 0.000 0.278 293 L C -0.522 176.323 176.870 -0.043 0.000 0.996 293 L CA -0.981 53.832 54.840 -0.045 0.000 0.825 293 L CB 1.933 43.968 42.059 -0.039 0.000 1.243 293 L HN 0.536 nan 8.230 nan 0.000 0.412 294 N N 1.634 120.304 118.700 -0.050 0.000 2.529 294 N HA 0.459 5.216 4.740 0.028 0.000 0.278 294 N C -0.957 174.512 175.510 -0.068 0.000 1.146 294 N CA -0.251 52.766 53.050 -0.055 0.000 0.980 294 N CB 1.874 40.330 38.487 -0.051 0.000 1.124 294 N HN 0.204 nan 8.380 nan 0.000 0.458 295 V N 1.690 121.552 119.914 -0.087 0.000 2.483 295 V HA 0.289 4.426 4.120 0.028 0.000 0.297 295 V C -0.494 175.522 176.094 -0.131 0.000 1.027 295 V CA -0.841 61.369 62.300 -0.149 0.000 0.855 295 V CB 1.574 33.215 31.823 -0.304 0.000 0.995 295 V HN 0.568 nan 8.190 nan 0.000 0.424 296 E N 3.615 123.758 120.200 -0.094 0.000 2.216 296 E HA 0.356 4.723 4.350 0.028 0.000 0.279 296 E C 0.214 176.787 176.600 -0.044 0.000 0.997 296 E CA -0.422 55.947 56.400 -0.052 0.000 0.817 296 E CB 0.898 30.579 29.700 -0.031 0.000 1.096 296 E HN 0.664 nan 8.360 nan 0.000 0.393 297 N N 1.568 120.263 118.700 -0.008 0.000 2.716 297 N HA -0.126 4.631 4.740 0.028 0.000 0.250 297 N C -2.180 173.333 175.510 0.006 0.000 1.033 297 N CA 0.346 53.407 53.050 0.019 0.000 0.727 297 N CB -1.219 37.282 38.487 0.024 0.000 0.950 297 N HN 0.377 nan 8.380 nan 0.000 0.541 298 P HA -0.042 nan 4.420 nan 0.000 0.264 298 P C -0.052 177.284 177.300 0.059 0.000 1.179 298 P CA 0.689 63.699 63.100 -0.150 0.000 0.763 298 P CB 0.595 32.033 31.700 -0.436 0.000 0.806 299 K N 2.772 123.292 120.400 0.199 0.000 2.316 299 K HA 0.285 4.622 4.320 0.028 0.000 0.289 299 K C 0.257 177.014 176.600 0.261 0.000 1.070 299 K CA -0.480 55.913 56.287 0.176 0.000 0.928 299 K CB 0.165 32.730 32.500 0.107 0.000 1.039 299 K HN 0.404 nan 8.250 nan 0.000 0.480 300 L N 2.795 124.106 121.223 0.148 0.000 2.456 300 L HA 0.126 4.483 4.340 0.028 0.000 0.272 300 L C 0.162 177.116 176.870 0.140 0.000 1.189 300 L CA -0.388 54.532 54.840 0.134 0.000 0.846 300 L CB 0.173 42.144 42.059 -0.147 0.000 1.111 300 L HN 0.619 nan 8.230 nan 0.000 0.475 301 W N 4.070 125.416 121.300 0.077 0.000 2.381 301 W HA 0.490 5.165 4.660 0.026 0.000 0.329 301 W C -0.026 176.471 176.519 -0.037 0.000 1.157 301 W CA 0.084 57.464 57.345 0.058 0.000 1.240 301 W CB 1.268 30.811 29.460 0.138 0.000 1.199 301 W HN 0.636 nan 8.180 nan 0.000 0.579 302 S N 2.718 117.786 115.700 -1.054 0.000 2.611 302 S HA 0.584 5.071 4.470 0.028 0.000 0.268 302 S C -0.099 173.686 174.600 -1.357 0.000 1.156 302 S CA -0.389 57.235 58.200 -0.960 0.000 0.817 302 S CB 0.975 63.999 63.200 -0.294 0.000 1.122 302 S HN 1.113 nan 8.310 nan 0.000 0.466 303 A N 0.252 122.440 122.820 -1.053 0.000 2.119 303 A HA 0.128 4.465 4.320 0.028 0.000 0.217 303 A C 1.634 178.900 177.584 -0.530 0.000 1.153 303 A CA 1.211 52.674 52.037 -0.956 0.000 0.692 303 A CB -0.821 17.459 19.000 -1.200 0.000 0.799 303 A HN 0.847 nan 8.150 nan 0.000 0.458 304 E N -0.737 119.279 120.200 -0.307 0.000 2.112 304 E HA 0.125 4.491 4.350 0.028 0.000 0.190 304 E C -0.313 176.153 176.600 -0.223 0.000 0.979 304 E CA 0.642 56.929 56.400 -0.187 0.000 0.814 304 E CB 0.110 29.826 29.700 0.027 0.000 0.762 304 E HN 0.600 nan 8.360 nan 0.000 0.460 305 I N 1.676 122.089 120.570 -0.261 0.000 2.563 305 I HA 0.152 4.339 4.170 0.028 0.000 0.281 305 I C -2.554 173.349 176.117 -0.357 0.000 1.110 305 I CA -1.865 59.303 61.300 -0.221 0.000 1.073 305 I CB 2.479 40.398 38.000 -0.134 0.000 1.215 305 I HN -0.214 nan 8.210 nan 0.000 0.460 306 P HA 0.091 nan 4.420 nan 0.000 0.218 306 P C -0.681 176.646 177.300 0.045 0.000 1.793 306 P CA -0.273 62.580 63.100 -0.411 0.000 0.941 306 P CB -0.249 31.354 31.700 -0.163 0.000 1.919 307 N N 1.832 120.566 118.700 0.057 0.000 2.440 307 N HA 0.099 4.856 4.740 0.028 0.000 0.265 307 N C 0.127 175.852 175.510 0.358 0.000 1.239 307 N CA 0.487 53.631 53.050 0.157 0.000 0.909 307 N CB 0.829 39.394 38.487 0.130 0.000 1.066 307 N HN 0.324 nan 8.380 nan 0.000 0.474 308 L N 2.342 123.700 121.223 0.225 0.000 2.333 308 L HA 0.514 4.871 4.340 0.028 0.000 0.263 308 L C -0.837 176.138 176.870 0.175 0.000 1.014 308 L CA -0.922 54.105 54.840 0.312 0.000 0.820 308 L CB 1.259 43.460 42.059 0.238 0.000 1.352 308 L HN 0.374 nan 8.230 nan 0.000 0.421 309 Y N -0.014 120.429 120.300 0.238 0.000 2.598 309 Y HA 0.654 5.221 4.550 0.028 0.000 0.340 309 Y C -0.288 175.728 175.900 0.193 0.000 1.038 309 Y CA -0.928 57.313 58.100 0.236 0.000 1.100 309 Y CB 1.749 40.407 38.460 0.329 0.000 1.281 309 Y HN 0.366 nan 8.280 nan 0.000 0.488 310 R N 1.129 121.851 120.500 0.369 0.000 2.437 310 R HA 0.819 5.175 4.340 0.028 0.000 0.310 310 R C -1.549 174.918 176.300 0.278 0.000 0.955 310 R CA -0.495 55.755 56.100 0.250 0.000 0.851 310 R CB 1.050 31.442 30.300 0.153 0.000 1.161 310 R HN 0.773 nan 8.270 nan 0.000 0.446 311 A N 3.870 126.802 122.820 0.187 0.000 2.276 311 A HA 0.620 4.957 4.320 0.028 0.000 0.316 311 A C -1.035 176.587 177.584 0.064 0.000 1.229 311 A CA -0.637 51.483 52.037 0.139 0.000 0.851 311 A CB 1.260 20.315 19.000 0.091 0.000 1.165 311 A HN 0.491 nan 8.150 nan 0.000 0.513 312 V N 3.360 123.317 119.914 0.072 0.000 2.448 312 V HA 0.397 4.534 4.120 0.028 0.000 0.295 312 V C -0.413 175.647 176.094 -0.056 0.000 1.025 312 V CA -0.500 61.796 62.300 -0.007 0.000 0.859 312 V CB 1.654 33.495 31.823 0.031 0.000 0.988 312 V HN 0.620 nan 8.190 nan 0.000 0.431 313 V N 4.725 124.546 119.914 -0.156 0.000 2.313 313 V HA 0.430 4.566 4.120 0.028 0.000 0.278 313 V C -0.059 175.973 176.094 -0.103 0.000 1.017 313 V CA -0.572 61.609 62.300 -0.198 0.000 0.823 313 V CB 1.131 32.686 31.823 -0.446 0.000 1.010 313 V HN 0.915 nan 8.190 nan 0.000 0.443 314 E N 3.894 124.082 120.200 -0.020 0.000 2.151 314 E HA 0.531 4.897 4.350 0.028 0.000 0.275 314 E C -1.040 175.635 176.600 0.125 0.000 0.936 314 E CA -0.861 55.581 56.400 0.069 0.000 0.777 314 E CB 2.652 32.427 29.700 0.126 0.000 1.108 314 E HN 0.486 nan 8.360 nan 0.000 0.401 315 L N 4.623 125.905 121.223 0.098 0.000 2.287 315 L HA 0.404 4.761 4.340 0.028 0.000 0.287 315 L C -0.893 176.074 176.870 0.162 0.000 1.022 315 L CA 0.191 55.072 54.840 0.068 0.000 0.814 315 L CB 0.158 42.244 42.059 0.044 0.000 1.217 315 L HN 0.712 nan 8.230 nan 0.000 0.420 316 H N 0.159 119.254 119.070 0.041 0.000 2.950 316 H HA 0.782 5.355 4.556 0.028 0.000 0.272 316 H C -0.941 174.457 175.328 0.116 0.000 1.495 316 H CA -0.556 55.532 56.048 0.066 0.000 1.183 316 H CB 0.819 30.605 29.762 0.041 0.000 1.867 316 H HN 0.453 nan 8.280 nan 0.000 0.597 317 T N -2.209 112.557 114.554 0.352 0.000 2.945 317 T HA 0.589 4.956 4.350 0.028 0.000 0.286 317 T C 1.197 176.095 174.700 0.329 0.000 1.025 317 T CA -0.465 61.834 62.100 0.333 0.000 1.039 317 T CB 1.701 70.769 68.868 0.332 0.000 1.068 317 T HN 0.947 nan 8.240 nan 0.000 0.497 318 A N 1.225 124.189 122.820 0.240 0.000 2.125 318 A HA -0.050 4.287 4.320 0.028 0.000 0.219 318 A C 1.790 179.451 177.584 0.127 0.000 1.156 318 A CA 1.513 53.657 52.037 0.178 0.000 0.671 318 A CB -0.908 18.167 19.000 0.125 0.000 0.794 318 A HN 0.961 nan 8.150 nan 0.000 0.459 319 D N -2.221 118.236 120.400 0.094 0.000 2.349 319 D HA 0.233 4.889 4.640 0.028 0.000 0.224 319 D C 1.192 177.518 176.300 0.044 0.000 1.029 319 D CA 0.963 54.986 54.000 0.037 0.000 0.879 319 D CB -0.548 40.244 40.800 -0.013 0.000 0.906 319 D HN 0.761 nan 8.370 nan 0.000 0.528 320 G N -0.498 108.357 108.800 0.092 0.000 2.176 320 G HA2 -0.243 3.734 3.960 0.028 0.000 0.232 320 G HA3 -0.243 3.734 3.960 0.028 0.000 0.232 320 G C 0.305 175.213 174.900 0.014 0.000 0.986 320 G CA 0.193 45.306 45.100 0.022 0.000 0.643 320 G HN 0.426 nan 8.290 nan 0.000 0.522 321 T N 1.732 116.322 114.554 0.060 0.000 2.834 321 T HA 0.449 4.816 4.350 0.028 0.000 0.298 321 T C 0.339 175.097 174.700 0.096 0.000 0.966 321 T CA 0.006 62.139 62.100 0.055 0.000 1.141 321 T CB 1.654 70.556 68.868 0.056 0.000 0.905 321 T HN 0.584 nan 8.240 nan 0.000 0.535 322 L N 4.946 126.202 121.223 0.056 0.000 2.331 322 L HA 0.380 4.737 4.340 0.028 0.000 0.278 322 L C 0.721 177.646 176.870 0.091 0.000 1.106 322 L CA 0.231 55.119 54.840 0.079 0.000 0.824 322 L CB 0.174 42.249 42.059 0.027 0.000 1.142 322 L HN 0.689 nan 8.230 nan 0.000 0.443 323 I N 2.623 123.261 120.570 0.114 0.000 2.512 323 I HA 0.118 4.305 4.170 0.028 0.000 0.247 323 I C 0.356 176.499 176.117 0.044 0.000 1.094 323 I CA 0.573 61.919 61.300 0.077 0.000 1.427 323 I CB 0.167 38.213 38.000 0.077 0.000 1.149 323 I HN 0.828 nan 8.210 nan 0.000 0.438 324 E N -0.045 120.181 120.200 0.044 0.000 2.432 324 E HA 0.708 5.074 4.350 0.028 0.000 0.279 324 E C -1.538 175.083 176.600 0.035 0.000 1.099 324 E CA -1.116 55.299 56.400 0.024 0.000 0.859 324 E CB 1.659 31.338 29.700 -0.035 0.000 1.402 324 E HN -0.025 nan 8.360 nan 0.000 0.451 325 A N 0.924 123.783 122.820 0.066 0.000 2.486 325 A HA 0.690 5.027 4.320 0.028 0.000 0.300 325 A C -1.091 176.598 177.584 0.175 0.000 1.048 325 A CA -0.731 51.355 52.037 0.082 0.000 0.696 325 A CB 1.728 20.777 19.000 0.082 0.000 1.278 325 A HN 0.503 nan 8.150 nan 0.000 0.405 326 E N -0.274 119.961 120.200 0.058 0.000 2.393 326 E HA 0.880 5.247 4.350 0.028 0.000 0.265 326 E C -0.363 176.247 176.600 0.017 0.000 0.941 326 E CA -0.411 56.065 56.400 0.126 0.000 0.801 326 E CB 2.331 31.984 29.700 -0.078 0.000 1.313 326 E HN 1.435 nan 8.360 nan 0.000 0.435 327 A N -0.387 122.522 122.820 0.148 0.000 2.490 327 A HA 0.649 4.985 4.320 0.028 0.000 0.292 327 A C -1.267 176.495 177.584 0.297 0.000 1.047 327 A CA -0.276 51.799 52.037 0.064 0.000 0.632 327 A CB 0.354 19.351 19.000 -0.006 0.000 1.323 327 A HN 0.922 nan 8.150 nan 0.000 0.448 328 C N -1.039 118.400 119.300 0.231 0.000 3.320 328 C HA 0.815 5.292 4.460 0.028 0.000 0.335 328 C C -1.421 173.665 174.990 0.161 0.000 1.430 328 C CA -0.955 58.205 59.018 0.237 0.000 1.271 328 C CB 0.971 28.862 27.740 0.251 0.000 1.609 328 C HN 0.828 nan 8.230 nan 0.000 0.457 329 D N 1.056 121.536 120.400 0.133 0.000 2.308 329 D HA 0.547 5.203 4.640 0.028 0.000 0.251 329 D C -0.307 176.051 176.300 0.095 0.000 1.127 329 D CA 0.180 54.258 54.000 0.129 0.000 0.876 329 D CB 1.680 42.560 40.800 0.133 0.000 1.176 329 D HN 0.543 nan 8.370 nan 0.000 0.446 330 V N 1.197 121.195 119.914 0.140 0.000 2.555 330 V HA 0.708 4.845 4.120 0.028 0.000 0.302 330 V C 0.614 176.792 176.094 0.141 0.000 1.038 330 V CA -0.879 61.458 62.300 0.063 0.000 0.887 330 V CB 2.086 33.925 31.823 0.026 0.000 0.991 330 V HN 0.613 nan 8.190 nan 0.000 0.434 331 G N 2.970 111.761 108.800 -0.014 0.000 2.605 331 G HA2 0.591 4.567 3.960 0.028 0.000 0.304 331 G HA3 0.591 4.567 3.960 0.028 0.000 0.304 331 G C -0.941 174.066 174.900 0.178 0.000 1.333 331 G CA -0.393 44.783 45.100 0.126 0.000 0.973 331 G HN 0.423 nan 8.290 nan 0.000 0.507 332 F N 3.932 124.062 119.950 0.301 0.000 2.487 332 F HA 0.379 4.922 4.527 0.028 0.000 0.364 332 F C 1.237 177.322 175.800 0.475 0.000 1.126 332 F CA 0.063 58.302 58.000 0.399 0.000 1.135 332 F CB 0.523 39.758 39.000 0.393 0.000 1.127 332 F HN 0.462 nan 8.300 nan 0.000 0.559 333 R N 3.190 124.018 120.500 0.546 0.000 2.634 333 R HA 0.389 4.745 4.340 0.028 0.000 0.263 333 R C -1.905 174.559 176.300 0.273 0.000 1.060 333 R CA -0.781 55.485 56.100 0.276 0.000 0.898 333 R CB 1.713 32.208 30.300 0.325 0.000 1.253 333 R HN 0.582 nan 8.270 nan 0.000 0.461 334 E N 2.612 122.871 120.200 0.098 0.000 2.187 334 E HA 0.443 4.810 4.350 0.028 0.000 0.268 334 E C -1.295 175.362 176.600 0.095 0.000 0.896 334 E CA -0.898 55.611 56.400 0.180 0.000 0.766 334 E CB 2.261 32.134 29.700 0.288 0.000 1.142 334 E HN 0.410 nan 8.360 nan 0.000 0.408 335 V N 5.650 125.619 119.914 0.092 0.000 2.378 335 V HA 0.533 4.670 4.120 0.028 0.000 0.288 335 V C -0.123 176.005 176.094 0.057 0.000 1.016 335 V CA -0.627 61.702 62.300 0.047 0.000 0.840 335 V CB 1.037 32.870 31.823 0.016 0.000 0.994 335 V HN 0.698 nan 8.190 nan 0.000 0.431 336 R N 4.509 125.040 120.500 0.051 0.000 2.739 336 R HA 0.754 5.111 4.340 0.028 0.000 0.271 336 R C -1.948 174.375 176.300 0.038 0.000 1.010 336 R CA -0.934 55.200 56.100 0.055 0.000 0.897 336 R CB 2.082 32.429 30.300 0.079 0.000 1.236 336 R HN 0.502 nan 8.270 nan 0.000 0.466 337 I N 1.092 121.684 120.570 0.038 0.000 2.377 337 I HA 0.392 4.579 4.170 0.028 0.000 0.293 337 I C -0.611 175.526 176.117 0.033 0.000 0.987 337 I CA -0.526 60.791 61.300 0.028 0.000 1.185 337 I CB 1.951 39.968 38.000 0.029 0.000 1.341 337 I HN 0.724 nan 8.210 nan 0.000 0.455 338 E N 4.683 124.898 120.200 0.026 0.000 2.321 338 E HA 0.232 4.598 4.350 0.028 0.000 0.281 338 E C -0.405 176.207 176.600 0.020 0.000 0.910 338 E CA -0.512 55.906 56.400 0.029 0.000 0.770 338 E CB 1.052 30.775 29.700 0.038 0.000 1.225 338 E HN 0.536 nan 8.360 nan 0.000 0.417 339 N N 3.053 121.764 118.700 0.020 0.000 2.708 339 N HA -0.256 4.501 4.740 0.028 0.000 0.249 339 N C 0.471 175.987 175.510 0.009 0.000 1.097 339 N CA 2.335 55.394 53.050 0.014 0.000 0.710 339 N CB -1.071 37.424 38.487 0.013 0.000 1.032 339 N HN 0.954 nan 8.380 nan 0.000 0.551 340 G N -2.531 106.274 108.800 0.009 0.000 2.195 340 G HA2 -0.263 3.713 3.960 0.028 0.000 0.246 340 G HA3 -0.263 3.713 3.960 0.028 0.000 0.246 340 G C -0.098 174.796 174.900 -0.010 0.000 0.984 340 G CA 0.370 45.471 45.100 0.002 0.000 0.633 340 G HN 0.445 nan 8.290 nan 0.000 0.525 341 L N 0.396 121.613 121.223 -0.010 0.000 2.346 341 L HA 0.733 5.090 4.340 0.028 0.000 0.274 341 L C 0.173 177.029 176.870 -0.024 0.000 1.007 341 L CA -1.305 53.520 54.840 -0.024 0.000 0.818 341 L CB 1.881 43.925 42.059 -0.025 0.000 1.284 341 L HN 0.124 nan 8.230 nan 0.000 0.424 342 L N 4.215 125.410 121.223 -0.046 0.000 2.313 342 L HA 0.432 4.789 4.340 0.028 0.000 0.282 342 L C -0.892 175.947 176.870 -0.052 0.000 1.092 342 L CA 0.448 55.260 54.840 -0.046 0.000 0.831 342 L CB 0.301 42.321 42.059 -0.065 0.000 1.159 342 L HN 0.399 nan 8.230 nan 0.000 0.442 343 L N 5.981 127.188 121.223 -0.026 0.000 2.346 343 L HA 0.558 4.914 4.340 0.028 0.000 0.274 343 L C -0.886 175.974 176.870 -0.017 0.000 1.007 343 L CA -0.846 53.984 54.840 -0.018 0.000 0.818 343 L CB 1.951 44.022 42.059 0.019 0.000 1.284 343 L HN 0.562 nan 8.230 nan 0.000 0.424 344 L N 3.732 124.948 121.223 -0.011 0.000 2.349 344 L HA 0.496 4.853 4.340 0.028 0.000 0.278 344 L C -0.108 176.742 176.870 -0.034 0.000 0.996 344 L CA -0.007 54.833 54.840 -0.000 0.000 0.825 344 L CB 1.099 43.160 42.059 0.005 0.000 1.243 344 L HN 0.588 nan 8.230 nan 0.000 0.412 345 N N 4.124 122.662 118.700 -0.269 0.000 2.721 345 N HA -0.227 4.529 4.740 0.028 0.000 0.249 345 N C 0.929 175.928 175.510 -0.853 0.000 1.072 345 N CA 1.378 53.898 53.050 -0.884 0.000 0.710 345 N CB -1.305 36.621 38.487 -0.935 0.000 0.993 345 N HN 1.216 nan 8.380 nan 0.000 0.547 346 G N -1.951 106.708 108.800 -0.236 0.000 2.199 346 G HA2 -0.335 3.642 3.960 0.028 0.000 0.254 346 G HA3 -0.335 3.642 3.960 0.028 0.000 0.254 346 G C -0.098 174.814 174.900 0.021 0.000 0.982 346 G CA 0.783 45.903 45.100 0.032 0.000 0.632 346 G HN 0.427 nan 8.290 nan 0.000 0.529 347 K N 1.035 121.435 120.400 -0.001 0.000 2.270 347 K HA 0.494 4.830 4.320 0.028 0.000 0.255 347 K C -2.874 173.690 176.600 -0.061 0.000 0.936 347 K CA -2.049 54.214 56.287 -0.040 0.000 0.809 347 K CB 2.690 35.112 32.500 -0.131 0.000 1.131 347 K HN 0.021 nan 8.250 nan 0.000 0.427 348 P HA 0.125 nan 4.420 nan 0.000 0.271 348 P C -0.075 177.153 177.300 -0.120 0.000 1.233 348 P CA -0.086 62.961 63.100 -0.089 0.000 0.764 348 P CB 0.377 32.029 31.700 -0.080 0.000 0.825 349 L N 3.396 124.542 121.223 -0.128 0.000 2.464 349 L HA 0.218 4.575 4.340 0.028 0.000 0.264 349 L C 0.734 177.515 176.870 -0.148 0.000 1.199 349 L CA -0.403 54.346 54.840 -0.151 0.000 0.818 349 L CB 0.196 42.123 42.059 -0.220 0.000 1.102 349 L HN 0.272 nan 8.230 nan 0.000 0.473 350 L N 3.864 125.018 121.223 -0.116 0.000 2.401 350 L HA 0.406 4.763 4.340 0.028 0.000 0.263 350 L C -0.499 176.315 176.870 -0.093 0.000 1.004 350 L CA -0.217 54.542 54.840 -0.134 0.000 0.881 350 L CB 0.787 42.792 42.059 -0.090 0.000 1.219 350 L HN 0.250 nan 8.230 nan 0.000 0.441 351 I N 4.961 125.409 120.570 -0.204 0.000 2.494 351 I HA 0.146 4.333 4.170 0.028 0.000 0.289 351 I C 0.575 176.669 176.117 -0.039 0.000 1.106 351 I CA 0.289 61.490 61.300 -0.165 0.000 1.369 351 I CB 0.220 38.018 38.000 -0.336 0.000 1.410 351 I HN 0.557 nan 8.210 nan 0.000 0.523 352 R N 5.212 125.770 120.500 0.098 0.000 2.755 352 R HA 0.453 4.810 4.340 0.028 0.000 0.268 352 R C 0.493 176.909 176.300 0.195 0.000 1.295 352 R CA -0.317 55.891 56.100 0.180 0.000 1.379 352 R CB 0.640 30.869 30.300 -0.119 0.000 1.170 352 R HN 0.721 nan 8.270 nan 0.000 0.584 353 G N 0.341 109.205 108.800 0.107 0.000 2.509 353 G HA2 0.558 4.534 3.960 0.028 0.000 0.328 353 G HA3 0.558 4.534 3.960 0.028 0.000 0.328 353 G C -1.240 173.901 174.900 0.401 0.000 1.194 353 G CA -0.501 44.622 45.100 0.039 0.000 0.967 353 G HN 0.228 nan 8.290 nan 0.000 0.488 354 V N 0.192 120.325 119.914 0.364 0.000 2.971 354 V HA 0.477 4.613 4.120 0.028 0.000 0.309 354 V C -0.930 175.292 176.094 0.214 0.000 1.130 354 V CA -1.238 61.184 62.300 0.203 0.000 0.964 354 V CB 2.166 33.829 31.823 -0.267 0.000 1.029 354 V HN 0.765 nan 8.190 nan 0.000 0.427 355 N N 4.390 123.122 118.700 0.054 0.000 2.514 355 N HA 0.424 5.181 4.740 0.028 0.000 0.277 355 N C -0.715 174.570 175.510 -0.374 0.000 1.126 355 N CA -0.257 52.670 53.050 -0.205 0.000 0.978 355 N CB 1.337 39.599 38.487 -0.374 0.000 1.106 355 N HN 0.634 nan 8.380 nan 0.000 0.461 356 R N 2.173 122.431 120.500 -0.404 0.000 2.510 356 R HA 0.205 4.562 4.340 0.028 0.000 0.294 356 R C -1.145 174.927 176.300 -0.379 0.000 1.056 356 R CA -0.553 55.345 56.100 -0.337 0.000 0.918 356 R CB 0.821 30.921 30.300 -0.334 0.000 1.187 356 R HN 0.592 nan 8.270 nan 0.000 0.437 357 H N 2.106 121.029 119.070 -0.245 0.000 2.508 357 H HA 0.158 4.731 4.556 0.029 0.000 0.358 357 H C -0.488 174.840 175.328 -0.000 0.000 1.212 357 H CA -0.040 55.963 56.048 -0.076 0.000 1.356 357 H CB 1.512 31.291 29.762 0.028 0.000 1.525 357 H HN 0.567 nan 8.280 nan 0.000 0.578 358 E N 1.834 122.222 120.200 0.314 0.000 1.941 358 E HA 0.100 4.466 4.350 0.028 0.000 0.275 358 E C -0.681 176.053 176.600 0.223 0.000 1.113 358 E CA 0.019 56.522 56.400 0.172 0.000 0.878 358 E CB 0.229 30.044 29.700 0.192 0.000 1.070 358 E HN 0.384 nan 8.360 nan 0.000 0.399 359 H N 1.606 120.724 119.070 0.079 0.000 2.865 359 H HA 0.274 4.847 4.556 0.028 0.000 0.362 359 H C -1.618 173.750 175.328 0.068 0.000 1.114 359 H CA -0.718 55.372 56.048 0.070 0.000 1.208 359 H CB 1.175 30.968 29.762 0.053 0.000 1.727 359 H HN 0.372 nan 8.280 nan 0.000 0.534 360 H N 6.068 124.780 119.070 -0.596 0.000 2.782 360 H HA 0.211 4.784 4.556 0.028 0.000 0.347 360 H C -2.280 172.713 175.328 -0.559 0.000 1.038 360 H CA -2.481 53.334 56.048 -0.390 0.000 1.255 360 H CB 2.541 32.190 29.762 -0.189 0.000 1.623 360 H HN 0.551 nan 8.280 nan 0.000 0.525 361 P HA -0.108 nan 4.420 nan 0.000 0.219 361 P C 1.223 178.452 177.300 -0.118 0.000 1.146 361 P CA 0.940 63.941 63.100 -0.164 0.000 0.808 361 P CB 0.777 32.406 31.700 -0.118 0.000 0.779 362 L N -1.860 119.402 121.223 0.064 0.000 2.269 362 L HA 0.088 4.445 4.340 0.028 0.000 0.200 362 L C 2.387 179.094 176.870 -0.272 0.000 1.069 362 L CA 0.801 55.528 54.840 -0.189 0.000 0.804 362 L CB -0.866 40.944 42.059 -0.415 0.000 0.987 362 L HN 0.001 nan 8.230 nan 0.000 0.468 363 H N -0.572 118.364 119.070 -0.224 0.000 2.553 363 H HA 0.213 4.786 4.556 0.028 0.000 0.265 363 H C 1.612 176.807 175.328 -0.221 0.000 0.964 363 H CA 0.150 56.025 56.048 -0.288 0.000 1.156 363 H CB 0.455 29.938 29.762 -0.465 0.000 1.411 363 H HN 0.421 nan 8.280 nan 0.000 0.558 364 G N 1.587 110.295 108.800 -0.153 0.000 3.274 364 G HA2 -0.440 3.537 3.960 0.028 0.000 0.313 364 G HA3 -0.440 3.537 3.960 0.028 0.000 0.313 364 G C 0.894 175.683 174.900 -0.186 0.000 1.295 364 G CA 0.716 45.654 45.100 -0.271 0.000 1.004 364 G HN 0.467 nan 8.290 nan 0.000 0.614 365 Q N -0.014 119.715 119.800 -0.118 0.000 2.219 365 Q HA 0.483 4.840 4.340 0.028 0.000 0.209 365 Q C 0.250 176.352 176.000 0.170 0.000 0.854 365 Q CA -0.081 55.702 55.803 -0.033 0.000 0.960 365 Q CB 1.494 30.111 28.738 -0.200 0.000 1.116 365 Q HN 0.386 nan 8.270 nan 0.000 0.500 366 V N 2.308 122.296 119.914 0.125 0.000 2.427 366 V HA 0.128 4.264 4.120 0.028 0.000 0.268 366 V C 0.131 176.287 176.094 0.103 0.000 1.046 366 V CA 0.244 62.620 62.300 0.126 0.000 0.970 366 V CB 0.577 32.409 31.823 0.014 0.000 1.001 366 V HN 0.326 nan 8.190 nan 0.000 0.476 367 M N 5.083 124.745 119.600 0.104 0.000 2.363 367 M HA 0.456 4.952 4.480 0.028 0.000 0.343 367 M C -0.338 175.934 176.300 -0.047 0.000 1.165 367 M CA -0.523 54.796 55.300 0.032 0.000 1.046 367 M CB 1.441 34.014 32.600 -0.045 0.000 1.648 367 M HN 0.929 nan 8.290 nan 0.000 0.452 368 D N -0.763 119.625 120.400 -0.019 0.000 2.547 368 D HA 0.267 4.924 4.640 0.028 0.000 0.231 368 D C 0.465 176.761 176.300 -0.006 0.000 1.099 368 D CA -0.683 53.305 54.000 -0.019 0.000 0.901 368 D CB 1.407 42.228 40.800 0.035 0.000 1.478 368 D HN 0.665 nan 8.370 nan 0.000 0.471 369 E N 0.065 120.272 120.200 0.011 0.000 2.070 369 E HA -0.361 4.006 4.350 0.028 0.000 0.197 369 E C 1.697 178.347 176.600 0.082 0.000 1.004 369 E CA 1.484 57.915 56.400 0.051 0.000 0.805 369 E CB 0.050 29.794 29.700 0.074 0.000 0.744 369 E HN 0.607 nan 8.360 nan 0.000 0.451 370 Q N -0.164 119.689 119.800 0.088 0.000 2.045 370 Q HA -0.198 4.159 4.340 0.028 0.000 0.206 370 Q C 2.118 178.181 176.000 0.104 0.000 0.991 370 Q CA 2.559 58.421 55.803 0.097 0.000 0.851 370 Q CB -0.295 28.504 28.738 0.102 0.000 0.911 370 Q HN 0.341 nan 8.270 nan 0.000 0.418 371 T N 1.423 116.049 114.554 0.121 0.000 2.684 371 T HA -0.196 4.170 4.350 0.028 0.000 0.267 371 T C 1.954 176.727 174.700 0.123 0.000 1.036 371 T CA 1.864 64.038 62.100 0.123 0.000 1.148 371 T CB -0.239 68.722 68.868 0.154 0.000 0.863 371 T HN 0.317 nan 8.240 nan 0.000 0.436 372 M N 0.438 120.116 119.600 0.131 0.000 2.065 372 M HA -0.131 4.366 4.480 0.028 0.000 0.259 372 M C 2.532 178.939 176.300 0.178 0.000 1.071 372 M CA 1.550 56.991 55.300 0.235 0.000 1.109 372 M CB -0.793 31.967 32.600 0.268 0.000 1.313 372 M HN 0.089 nan 8.290 nan 0.000 0.408 373 V N 0.348 120.311 119.914 0.083 0.000 2.332 373 V HA -0.331 3.806 4.120 0.028 0.000 0.248 373 V C 2.363 178.429 176.094 -0.048 0.000 1.055 373 V CA 2.317 64.593 62.300 -0.039 0.000 1.038 373 V CB -0.919 30.922 31.823 0.031 0.000 0.651 373 V HN 0.581 nan 8.190 nan 0.000 0.450 374 Q N -0.200 119.625 119.800 0.042 0.000 2.045 374 Q HA -0.294 4.062 4.340 0.028 0.000 0.206 374 Q C 2.001 178.060 176.000 0.100 0.000 0.991 374 Q CA 2.449 58.294 55.803 0.071 0.000 0.851 374 Q CB -0.242 28.553 28.738 0.095 0.000 0.911 374 Q HN 0.610 nan 8.270 nan 0.000 0.418 375 D N 0.193 120.676 120.400 0.138 0.000 2.123 375 D HA -0.146 4.511 4.640 0.028 0.000 0.196 375 D C 1.931 178.184 176.300 -0.077 0.000 0.992 375 D CA 1.169 55.263 54.000 0.157 0.000 0.833 375 D CB -0.186 40.692 40.800 0.129 0.000 0.954 375 D HN 0.369 nan 8.370 nan 0.000 0.455 376 I N 0.480 120.995 120.570 -0.092 0.000 2.286 376 I HA -0.247 3.940 4.170 0.028 0.000 0.248 376 I C 2.228 178.199 176.117 -0.245 0.000 1.115 376 I CA 0.704 61.845 61.300 -0.265 0.000 1.392 376 I CB -0.054 37.668 38.000 -0.463 0.000 1.065 376 I HN -0.014 nan 8.210 nan 0.000 0.418 377 L N -0.360 120.763 121.223 -0.167 0.000 2.141 377 L HA -0.176 4.181 4.340 0.028 0.000 0.209 377 L C 2.388 179.312 176.870 0.091 0.000 1.094 377 L CA 1.013 55.838 54.840 -0.024 0.000 0.763 377 L CB -0.528 41.545 42.059 0.024 0.000 0.908 377 L HN 0.239 nan 8.230 nan 0.000 0.437 378 L N -0.973 120.325 121.223 0.126 0.000 2.093 378 L HA -0.169 4.187 4.340 0.028 0.000 0.208 378 L C 2.635 179.662 176.870 0.261 0.000 1.085 378 L CA 1.195 56.198 54.840 0.273 0.000 0.755 378 L CB -0.232 42.132 42.059 0.509 0.000 0.904 378 L HN 0.293 nan 8.230 nan 0.000 0.435 379 M N -0.596 118.984 119.600 -0.034 0.000 2.067 379 M HA -0.241 4.255 4.480 0.028 0.000 0.260 379 M C 2.282 178.657 176.300 0.125 0.000 1.069 379 M CA 1.869 57.073 55.300 -0.161 0.000 1.117 379 M CB -0.277 31.980 32.600 -0.572 0.000 1.334 379 M HN 0.052 nan 8.290 nan 0.000 0.407 380 K N -0.080 120.285 120.400 -0.058 0.000 2.097 380 K HA -0.196 4.141 4.320 0.028 0.000 0.206 380 K C 1.962 178.516 176.600 -0.076 0.000 1.049 380 K CA 1.358 57.494 56.287 -0.251 0.000 0.933 380 K CB -0.158 31.959 32.500 -0.638 0.000 0.717 380 K HN 0.443 nan 8.250 nan 0.000 0.442 381 Q N 0.263 120.188 119.800 0.209 0.000 2.224 381 Q HA -0.042 4.314 4.340 0.028 0.000 0.203 381 Q C 0.916 177.187 176.000 0.452 0.000 0.970 381 Q CA 0.827 56.861 55.803 0.386 0.000 0.865 381 Q CB 0.146 29.095 28.738 0.351 0.000 0.922 381 Q HN 0.276 nan 8.270 nan 0.000 0.445 382 N N 0.713 119.639 118.700 0.376 0.000 2.295 382 N HA 0.042 4.799 4.740 0.028 0.000 0.221 382 N C -0.575 175.011 175.510 0.128 0.000 1.129 382 N CA 0.062 53.324 53.050 0.353 0.000 0.836 382 N CB 0.601 39.378 38.487 0.483 0.000 1.040 382 N HN 0.188 nan 8.380 nan 0.000 0.494 383 N N -0.004 118.785 118.700 0.149 0.000 2.829 383 N HA -0.180 4.577 4.740 0.028 0.000 0.250 383 N C -0.831 174.587 175.510 -0.153 0.000 1.090 383 N CA 0.744 53.834 53.050 0.067 0.000 0.781 383 N CB -1.727 36.720 38.487 -0.066 0.000 1.124 383 N HN 0.251 nan 8.380 nan 0.000 0.559 384 F N 1.161 121.122 119.950 0.018 0.000 2.379 384 F HA 0.310 4.854 4.527 0.027 0.000 0.332 384 F C 1.748 177.533 175.800 -0.024 0.000 1.096 384 F CA -0.545 57.445 58.000 -0.016 0.000 1.105 384 F CB 0.843 39.795 39.000 -0.080 0.000 1.189 384 F HN 0.032 nan 8.300 nan 0.000 0.515 385 N N 0.783 119.596 118.700 0.188 0.000 2.170 385 N HA 0.452 5.209 4.740 0.028 0.000 0.222 385 N C -0.823 174.722 175.510 0.058 0.000 1.218 385 N CA -0.025 53.058 53.050 0.054 0.000 0.889 385 N CB 0.777 39.329 38.487 0.108 0.000 1.083 385 N HN 0.481 nan 8.380 nan 0.000 0.520 386 A N -0.651 122.272 122.820 0.171 0.000 2.612 386 A HA 0.759 5.096 4.320 0.028 0.000 0.293 386 A C -1.818 175.950 177.584 0.306 0.000 1.075 386 A CA -0.674 51.511 52.037 0.246 0.000 0.680 386 A CB 1.677 20.858 19.000 0.301 0.000 1.279 386 A HN 0.273 nan 8.150 nan 0.000 0.411 387 V N 0.804 120.968 119.914 0.416 0.000 2.888 387 V HA 0.796 4.933 4.120 0.028 0.000 0.309 387 V C -0.697 175.541 176.094 0.241 0.000 1.114 387 V CA -0.662 61.843 62.300 0.342 0.000 0.940 387 V CB 1.867 33.807 31.823 0.195 0.000 1.021 387 V HN 1.191 nan 8.190 nan 0.000 0.426 388 R N 5.132 125.604 120.500 -0.048 0.000 2.338 388 R HA 0.485 4.842 4.340 0.028 0.000 0.317 388 R C -0.732 175.405 176.300 -0.273 0.000 0.968 388 R CA -0.439 55.421 56.100 -0.399 0.000 0.849 388 R CB 1.116 30.879 30.300 -0.896 0.000 1.128 388 R HN 0.800 nan 8.270 nan 0.000 0.448 389 C N 4.567 123.743 119.300 -0.206 0.000 3.183 389 C HA 0.111 4.588 4.460 0.028 0.000 0.545 389 C C 0.468 175.167 174.990 -0.485 0.000 1.044 389 C CA -0.427 58.426 59.018 -0.274 0.000 1.117 389 C CB -2.094 25.602 27.740 -0.075 0.000 1.393 389 C HN 0.737 nan 8.230 nan 0.000 0.611 390 S N 1.554 116.838 115.700 -0.694 0.000 2.481 390 S HA 0.157 4.644 4.470 0.028 0.000 0.282 390 S C -0.100 173.567 174.600 -1.554 0.000 1.243 390 S CA 0.172 57.667 58.200 -1.175 0.000 1.078 390 S CB 0.070 62.575 63.200 -1.159 0.000 0.916 390 S HN 0.737 nan 8.310 nan 0.000 0.495 391 H N 3.510 121.986 119.070 -0.990 0.000 2.597 391 H HA 0.310 4.882 4.556 0.027 0.000 0.225 391 H C -1.197 173.996 175.328 -0.225 0.000 1.422 391 H CA -0.349 55.494 56.048 -0.342 0.000 1.335 391 H CB -0.108 29.648 29.762 -0.010 0.000 1.783 391 H HN 0.883 nan 8.280 nan 0.000 0.513 392 Y N -2.534 117.861 120.300 0.158 0.000 2.774 392 Y HA 0.441 5.008 4.550 0.029 0.000 0.346 392 Y C -3.237 172.769 175.900 0.178 0.000 1.222 392 Y CA -3.081 55.129 58.100 0.182 0.000 1.088 392 Y CB 0.064 38.641 38.460 0.194 0.000 1.354 392 Y HN -0.089 nan 8.280 nan 0.000 0.455 393 P HA 0.202 nan 4.420 nan 0.000 0.275 393 P C -0.714 176.875 177.300 0.481 0.000 1.227 393 P CA -0.039 63.311 63.100 0.417 0.000 0.781 393 P CB 0.650 32.534 31.700 0.306 0.000 0.906 394 N N 0.475 119.471 118.700 0.493 0.000 2.458 394 N HA 0.076 4.833 4.740 0.028 0.000 0.271 394 N C 0.184 175.951 175.510 0.428 0.000 1.210 394 N CA -0.539 52.721 53.050 0.351 0.000 0.978 394 N CB 0.341 38.843 38.487 0.025 0.000 1.206 394 N HN 0.607 nan 8.380 nan 0.000 0.536 395 H N 2.386 121.574 119.070 0.196 0.000 3.064 395 H HA -0.013 4.560 4.556 0.028 0.000 0.329 395 H C -1.642 173.856 175.328 0.283 0.000 1.020 395 H CA -0.657 55.487 56.048 0.162 0.000 1.402 395 H CB 0.953 30.776 29.762 0.103 0.000 1.379 395 H HN 0.438 nan 8.280 nan 0.000 0.594 396 P HA -0.197 nan 4.420 nan 0.000 0.219 396 P C 1.785 179.394 177.300 0.515 0.000 1.146 396 P CA 0.591 63.905 63.100 0.358 0.000 0.808 396 P CB 0.226 31.991 31.700 0.109 0.000 0.779 397 L N -0.852 120.783 121.223 0.686 0.000 2.141 397 L HA -0.037 4.319 4.340 0.028 0.000 0.209 397 L C 2.386 179.443 176.870 0.310 0.000 1.094 397 L CA 1.326 56.428 54.840 0.437 0.000 0.763 397 L CB -1.609 40.664 42.059 0.357 0.000 0.908 397 L HN 0.021 nan 8.230 nan 0.000 0.437 398 W N -0.212 121.151 121.300 0.106 0.000 2.304 398 W HA -0.379 4.297 4.660 0.027 0.000 0.315 398 W C 2.172 178.566 176.519 -0.209 0.000 1.233 398 W CA 2.316 59.584 57.345 -0.129 0.000 1.261 398 W CB -0.503 28.785 29.460 -0.287 0.000 1.150 398 W HN 0.290 nan 8.180 nan 0.000 0.494 399 Y N 0.541 120.776 120.300 -0.108 0.000 2.224 399 Y HA -0.201 4.365 4.550 0.027 0.000 0.289 399 Y C 2.857 178.521 175.900 -0.394 0.000 1.146 399 Y CA 2.058 59.871 58.100 -0.478 0.000 1.182 399 Y CB -1.379 36.481 38.460 -1.000 0.000 0.983 399 Y HN -0.202 nan 8.280 nan 0.000 0.524 400 T N 0.696 115.265 114.554 0.025 0.000 2.746 400 T HA -0.144 4.223 4.350 0.028 0.000 0.267 400 T C 2.004 176.742 174.700 0.064 0.000 1.039 400 T CA 1.366 63.554 62.100 0.146 0.000 1.142 400 T CB -0.512 68.488 68.868 0.220 0.000 0.866 400 T HN 0.227 nan 8.240 nan 0.000 0.444 401 L N 0.358 121.582 121.223 0.001 0.000 1.994 401 L HA -0.113 4.244 4.340 0.028 0.000 0.208 401 L C 2.937 179.782 176.870 -0.043 0.000 1.071 401 L CA 1.068 55.922 54.840 0.024 0.000 0.745 401 L CB -0.869 41.170 42.059 -0.034 0.000 0.892 401 L HN 0.358 nan 8.230 nan 0.000 0.431 402 C N -0.073 119.029 119.300 -0.330 0.000 2.413 402 C HA -0.168 4.309 4.460 0.028 0.000 0.277 402 C C 2.435 177.439 174.990 0.023 0.000 1.265 402 C CA 0.533 59.384 59.018 -0.278 0.000 1.752 402 C CB -0.901 26.567 27.740 -0.453 0.000 1.998 402 C HN 0.548 nan 8.230 nan 0.000 0.489 403 D N 0.565 120.987 120.400 0.037 0.000 2.092 403 D HA -0.115 4.541 4.640 0.028 0.000 0.193 403 D C 2.355 178.829 176.300 0.290 0.000 0.994 403 D CA 1.315 55.403 54.000 0.148 0.000 0.828 403 D CB -0.341 40.532 40.800 0.122 0.000 0.963 403 D HN 0.558 nan 8.370 nan 0.000 0.450 404 R N -0.949 119.633 120.500 0.136 0.000 2.093 404 R HA 0.001 4.357 4.340 0.028 0.000 0.224 404 R C 2.200 178.447 176.300 -0.088 0.000 1.101 404 R CA 0.628 56.745 56.100 0.029 0.000 0.979 404 R CB -0.348 29.914 30.300 -0.063 0.000 0.877 404 R HN 0.287 nan 8.270 nan 0.000 0.441 405 Y N 0.555 120.874 120.300 0.031 0.000 2.475 405 Y HA 0.163 4.730 4.550 0.027 0.000 0.289 405 Y C 1.039 176.882 175.900 -0.095 0.000 1.121 405 Y CA 0.794 58.886 58.100 -0.013 0.000 1.257 405 Y CB 0.401 38.817 38.460 -0.073 0.000 1.026 405 Y HN 0.254 nan 8.280 nan 0.000 0.555 406 G N 1.319 110.172 108.800 0.089 0.000 3.129 406 G HA2 -0.174 3.802 3.960 0.028 0.000 0.385 406 G HA3 -0.174 3.802 3.960 0.028 0.000 0.385 406 G C -1.181 173.596 174.900 -0.204 0.000 1.046 406 G CA -0.486 44.579 45.100 -0.058 0.000 0.933 406 G HN 0.186 nan 8.290 nan 0.000 0.424 407 L N 1.498 122.668 121.223 -0.088 0.000 2.482 407 L HA 0.440 4.797 4.340 0.028 0.000 0.263 407 L C -0.096 176.778 176.870 0.008 0.000 0.957 407 L CA -1.218 53.514 54.840 -0.180 0.000 0.836 407 L CB 2.034 44.005 42.059 -0.147 0.000 1.324 407 L HN 0.551 nan 8.230 nan 0.000 0.406 408 Y N 2.039 122.467 120.300 0.214 0.000 2.377 408 Y HA 0.333 4.901 4.550 0.031 0.000 0.330 408 Y C 0.293 176.316 175.900 0.204 0.000 1.108 408 Y CA -0.670 57.595 58.100 0.274 0.000 1.308 408 Y CB 1.248 39.839 38.460 0.218 0.000 1.216 408 Y HN 0.168 nan 8.280 nan 0.000 0.518 409 V N 4.538 124.629 119.914 0.295 0.000 2.581 409 V HA 0.313 4.450 4.120 0.028 0.000 0.303 409 V C -0.455 175.723 176.094 0.139 0.000 1.041 409 V CA -0.975 61.441 62.300 0.193 0.000 0.907 409 V CB 1.925 33.816 31.823 0.114 0.000 0.994 409 V HN 0.452 nan 8.190 nan 0.000 0.442 410 V N 3.277 123.250 119.914 0.098 0.000 2.311 410 V HA 0.312 4.449 4.120 0.028 0.000 0.275 410 V C -0.361 175.766 176.094 0.054 0.000 1.022 410 V CA -0.423 61.885 62.300 0.012 0.000 0.830 410 V CB 1.419 33.150 31.823 -0.154 0.000 1.012 410 V HN 0.879 nan 8.190 nan 0.000 0.452 411 D N 4.244 124.721 120.400 0.129 0.000 2.280 411 D HA 0.311 4.968 4.640 0.028 0.000 0.243 411 D C -0.220 176.270 176.300 0.316 0.000 1.129 411 D CA -0.005 54.168 54.000 0.288 0.000 0.848 411 D CB 1.198 42.228 40.800 0.382 0.000 1.107 411 D HN 0.667 nan 8.370 nan 0.000 0.471 412 E N 1.996 122.339 120.200 0.239 0.000 2.210 412 E HA 0.609 4.976 4.350 0.028 0.000 0.266 412 E C -0.946 175.785 176.600 0.217 0.000 0.883 412 E CA -1.071 55.456 56.400 0.212 0.000 0.761 412 E CB 1.338 31.114 29.700 0.126 0.000 1.156 412 E HN 0.480 nan 8.360 nan 0.000 0.412 413 A N 3.874 126.818 122.820 0.206 0.000 2.520 413 A HA -0.004 4.333 4.320 0.028 0.000 0.235 413 A C 0.361 178.069 177.584 0.207 0.000 1.065 413 A CA -0.087 52.053 52.037 0.173 0.000 0.764 413 A CB 0.077 19.146 19.000 0.114 0.000 1.002 413 A HN 0.694 nan 8.150 nan 0.000 0.502 414 N N 1.282 120.112 118.700 0.216 0.000 2.971 414 N HA 0.270 5.027 4.740 0.028 0.000 0.294 414 N C -1.020 174.622 175.510 0.220 0.000 1.210 414 N CA 0.224 53.436 53.050 0.271 0.000 1.157 414 N CB -0.849 37.797 38.487 0.265 0.000 1.450 414 N HN 0.474 nan 8.380 nan 0.000 0.527 415 I N 1.001 121.696 120.570 0.209 0.000 2.497 415 I HA 0.282 4.468 4.170 0.028 0.000 0.284 415 I C -0.636 175.585 176.117 0.174 0.000 1.060 415 I CA -0.627 60.778 61.300 0.176 0.000 1.071 415 I CB 1.806 39.884 38.000 0.129 0.000 1.216 415 I HN 0.247 nan 8.210 nan 0.000 0.442 416 E N 4.254 124.551 120.200 0.162 0.000 2.307 416 E HA 0.337 4.704 4.350 0.028 0.000 0.280 416 E C -0.651 176.014 176.600 0.110 0.000 0.900 416 E CA -0.483 55.984 56.400 0.111 0.000 0.790 416 E CB 1.605 31.348 29.700 0.071 0.000 1.261 416 E HN 0.604 nan 8.360 nan 0.000 0.405 417 T N 0.659 115.269 114.554 0.093 0.000 3.355 417 T HA 0.169 4.536 4.350 0.028 0.000 0.276 417 T C 0.915 175.675 174.700 0.100 0.000 1.003 417 T CA -0.261 61.917 62.100 0.129 0.000 0.943 417 T CB -0.305 68.625 68.868 0.105 0.000 1.158 417 T HN 0.665 nan 8.240 nan 0.000 0.513 418 H N 1.250 120.256 119.070 -0.106 0.000 2.362 418 H HA -0.108 4.465 4.556 0.029 0.000 0.294 418 H C 2.341 177.572 175.328 -0.161 0.000 1.113 418 H CA 1.439 57.395 56.048 -0.154 0.000 1.253 418 H CB -0.202 29.425 29.762 -0.226 0.000 1.363 418 H HN 0.585 nan 8.280 nan 0.000 0.494 419 G N 0.117 108.831 108.800 -0.144 0.000 2.679 419 G HA2 -0.073 3.903 3.960 0.028 0.000 0.212 419 G HA3 -0.073 3.903 3.960 0.028 0.000 0.212 419 G C 0.449 175.458 174.900 0.181 0.000 1.137 419 G CA -0.092 44.928 45.100 -0.133 0.000 0.787 419 G HN 0.140 nan 8.290 nan 0.000 0.534 420 M N 0.515 120.254 119.600 0.233 0.000 2.240 420 M HA 0.277 4.774 4.480 0.028 0.000 0.333 420 M C -0.313 176.023 176.300 0.060 0.000 1.110 420 M CA -0.359 55.032 55.300 0.153 0.000 1.173 420 M CB 1.361 34.004 32.600 0.071 0.000 1.458 420 M HN -0.217 nan 8.290 nan 0.000 0.458 421 V N 4.868 124.798 119.914 0.025 0.000 2.407 421 V HA 0.384 4.520 4.120 0.028 0.000 0.291 421 V C -1.862 174.224 176.094 -0.012 0.000 1.018 421 V CA -1.327 60.973 62.300 0.000 0.000 0.842 421 V CB 1.604 33.422 31.823 -0.009 0.000 0.996 421 V HN 0.742 nan 8.190 nan 0.000 0.426 422 P HA 0.255 nan 4.420 nan 0.000 0.275 422 P C 1.054 178.359 177.300 0.008 0.000 1.266 422 P CA -0.549 62.548 63.100 -0.005 0.000 0.793 422 P CB 1.003 32.700 31.700 -0.005 0.000 1.074 423 M N 0.876 120.488 119.600 0.021 0.000 2.106 423 M HA -0.233 4.264 4.480 0.028 0.000 0.259 423 M C 1.315 177.643 176.300 0.046 0.000 1.068 423 M CA 2.359 57.683 55.300 0.040 0.000 1.100 423 M CB -0.566 32.051 32.600 0.028 0.000 1.351 423 M HN 0.400 nan 8.290 nan 0.000 0.404 424 N N 0.039 118.768 118.700 0.049 0.000 2.421 424 N HA -0.099 4.657 4.740 0.028 0.000 0.201 424 N C 1.120 176.622 175.510 -0.014 0.000 1.198 424 N CA 0.361 53.444 53.050 0.055 0.000 0.838 424 N CB -0.736 37.805 38.487 0.089 0.000 1.011 424 N HN 0.399 nan 8.380 nan 0.000 0.463 425 R N 0.410 120.885 120.500 -0.042 0.000 2.113 425 R HA -0.055 4.302 4.340 0.028 0.000 0.244 425 R C 1.550 177.751 176.300 -0.164 0.000 1.142 425 R CA 1.658 57.703 56.100 -0.091 0.000 0.953 425 R CB -0.136 30.104 30.300 -0.101 0.000 0.860 425 R HN 0.327 nan 8.270 nan 0.000 0.438 426 L N -0.686 120.383 121.223 -0.257 0.000 2.202 426 L HA -0.007 4.350 4.340 0.028 0.000 0.205 426 L C 2.518 179.255 176.870 -0.221 0.000 1.083 426 L CA 1.277 55.849 54.840 -0.448 0.000 0.790 426 L CB -0.557 41.024 42.059 -0.797 0.000 0.942 426 L HN 0.405 nan 8.230 nan 0.000 0.452 427 T N -4.067 110.394 114.554 -0.154 0.000 2.929 427 T HA -0.192 4.175 4.350 0.028 0.000 0.271 427 T C 1.350 175.976 174.700 -0.124 0.000 1.085 427 T CA 1.362 63.358 62.100 -0.173 0.000 1.125 427 T CB -0.268 68.461 68.868 -0.230 0.000 0.874 427 T HN 0.109 nan 8.240 nan 0.000 0.494 428 D N 1.130 121.490 120.400 -0.066 0.000 2.339 428 D HA 0.082 4.739 4.640 0.028 0.000 0.217 428 D C -0.061 176.227 176.300 -0.020 0.000 1.050 428 D CA -0.068 53.906 54.000 -0.044 0.000 0.856 428 D CB -0.205 40.574 40.800 -0.035 0.000 0.922 428 D HN 0.304 nan 8.370 nan 0.000 0.518 429 D N 0.019 120.419 120.400 -0.001 0.000 2.339 429 D HA 0.072 4.729 4.640 0.028 0.000 0.241 429 D C -1.555 174.802 176.300 0.094 0.000 1.183 429 D CA -2.131 51.907 54.000 0.063 0.000 0.859 429 D CB 1.735 42.615 40.800 0.134 0.000 1.067 429 D HN 0.009 nan 8.370 nan 0.000 0.484 430 P HA -0.174 nan 4.420 nan 0.000 0.217 430 P C 0.955 178.276 177.300 0.035 0.000 1.148 430 P CA 1.013 64.131 63.100 0.031 0.000 0.828 430 P CB 0.195 31.900 31.700 0.009 0.000 0.783 431 R N -1.967 118.564 120.500 0.051 0.000 2.293 431 R HA -0.088 4.269 4.340 0.028 0.000 0.219 431 R C 1.534 177.762 176.300 -0.120 0.000 1.091 431 R CA 1.040 57.114 56.100 -0.042 0.000 1.004 431 R CB -0.639 29.612 30.300 -0.082 0.000 0.865 431 R HN 0.339 nan 8.270 nan 0.000 0.469 432 W N -0.210 121.044 121.300 -0.078 0.000 3.220 432 W HA 0.151 4.827 4.660 0.027 0.000 0.328 432 W C 1.463 177.933 176.519 -0.082 0.000 1.205 432 W CA -0.568 56.731 57.345 -0.077 0.000 1.773 432 W CB 0.039 29.454 29.460 -0.076 0.000 1.086 432 W HN -0.015 nan 8.180 nan 0.000 0.622 433 L N 2.441 123.705 121.223 0.069 0.000 2.012 433 L HA -0.093 4.264 4.340 0.028 0.000 0.210 433 L C -0.569 176.276 176.870 -0.041 0.000 1.073 433 L CA 2.282 57.122 54.840 -0.000 0.000 0.748 433 L CB -1.783 40.262 42.059 -0.023 0.000 0.891 433 L HN -0.214 nan 8.230 nan 0.000 0.431 434 P HA -0.174 nan 4.420 nan 0.000 0.215 434 P C 1.568 178.820 177.300 -0.080 0.000 1.157 434 P CA 2.303 65.348 63.100 -0.092 0.000 0.874 434 P CB -0.261 31.373 31.700 -0.109 0.000 0.790 435 A N -1.247 121.540 122.820 -0.054 0.000 1.930 435 A HA -0.131 4.206 4.320 0.028 0.000 0.217 435 A C 2.277 179.877 177.584 0.027 0.000 1.175 435 A CA 1.703 53.736 52.037 -0.007 0.000 0.627 435 A CB -1.396 17.626 19.000 0.036 0.000 0.815 435 A HN 0.108 nan 8.150 nan 0.000 0.443 436 M N 0.213 119.836 119.600 0.039 0.000 2.200 436 M HA -0.127 4.370 4.480 0.028 0.000 0.265 436 M C 2.471 178.726 176.300 -0.075 0.000 1.066 436 M CA 1.613 56.918 55.300 0.008 0.000 1.127 436 M CB -0.209 32.382 32.600 -0.016 0.000 1.379 436 M HN 0.645 nan 8.290 nan 0.000 0.420 437 S N 0.020 115.647 115.700 -0.121 0.000 2.402 437 S HA -0.141 4.345 4.470 0.028 0.000 0.229 437 S C 1.546 175.986 174.600 -0.267 0.000 1.021 437 S CA 1.208 59.269 58.200 -0.231 0.000 0.974 437 S CB -0.504 62.528 63.200 -0.281 0.000 0.800 437 S HN 0.516 nan 8.310 nan 0.000 0.484 438 E N 0.988 121.081 120.200 -0.178 0.000 2.204 438 E HA -0.032 4.335 4.350 0.028 0.000 0.194 438 E C 2.348 178.867 176.600 -0.135 0.000 0.989 438 E CA 0.695 56.995 56.400 -0.167 0.000 0.824 438 E CB -0.069 29.567 29.700 -0.107 0.000 0.756 438 E HN 0.567 nan 8.360 nan 0.000 0.477 439 R N -0.040 120.408 120.500 -0.086 0.000 2.115 439 R HA -0.055 4.302 4.340 0.028 0.000 0.226 439 R C 2.230 178.493 176.300 -0.063 0.000 1.100 439 R CA 0.684 56.765 56.100 -0.032 0.000 0.980 439 R CB 0.028 30.350 30.300 0.036 0.000 0.875 439 R HN 0.017 nan 8.270 nan 0.000 0.445 440 V N 0.347 120.179 119.914 -0.136 0.000 2.300 440 V HA -0.197 3.939 4.120 0.028 0.000 0.241 440 V C 2.515 178.424 176.094 -0.308 0.000 1.034 440 V CA 2.208 64.400 62.300 -0.180 0.000 1.021 440 V CB -0.536 31.175 31.823 -0.187 0.000 0.662 440 V HN 0.513 nan 8.190 nan 0.000 0.458 441 T N -0.608 113.626 114.554 -0.533 0.000 2.759 441 T HA -0.266 4.101 4.350 0.028 0.000 0.269 441 T C 1.925 176.455 174.700 -0.283 0.000 1.042 441 T CA 1.613 63.306 62.100 -0.678 0.000 1.140 441 T CB -0.427 67.886 68.868 -0.925 0.000 0.864 441 T HN 0.393 nan 8.240 nan 0.000 0.455 442 R N 0.110 120.477 120.500 -0.222 0.000 2.148 442 R HA 0.246 4.603 4.340 0.028 0.000 0.223 442 R C 2.624 178.846 176.300 -0.130 0.000 1.088 442 R CA 1.262 57.269 56.100 -0.154 0.000 0.985 442 R CB -0.429 29.791 30.300 -0.134 0.000 0.880 442 R HN 0.475 nan 8.270 nan 0.000 0.451 443 M N 0.377 119.906 119.600 -0.118 0.000 2.099 443 M HA -0.141 4.356 4.480 0.028 0.000 0.262 443 M C 1.833 178.064 176.300 -0.115 0.000 1.067 443 M CA 1.629 56.888 55.300 -0.068 0.000 1.124 443 M CB 0.114 32.709 32.600 -0.008 0.000 1.353 443 M HN -0.003 nan 8.290 nan 0.000 0.410 444 V N 0.843 120.587 119.914 -0.283 0.000 2.343 444 V HA -0.283 3.854 4.120 0.028 0.000 0.247 444 V C 2.258 178.246 176.094 -0.177 0.000 1.051 444 V CA 1.941 63.948 62.300 -0.489 0.000 1.036 444 V CB -0.840 30.652 31.823 -0.552 0.000 0.654 444 V HN 0.584 nan 8.190 nan 0.000 0.451 445 Q N -0.689 119.044 119.800 -0.112 0.000 2.170 445 Q HA -0.232 4.125 4.340 0.028 0.000 0.203 445 Q C 2.478 178.395 176.000 -0.137 0.000 0.976 445 Q CA 1.646 57.394 55.803 -0.093 0.000 0.858 445 Q CB -0.164 28.540 28.738 -0.057 0.000 0.907 445 Q HN 0.520 nan 8.270 nan 0.000 0.433 446 R N 0.175 120.587 120.500 -0.147 0.000 2.080 446 R HA -0.087 4.269 4.340 0.028 0.000 0.222 446 R C 0.603 176.825 176.300 -0.130 0.000 1.107 446 R CA 1.289 57.276 56.100 -0.187 0.000 0.980 446 R CB 0.404 30.594 30.300 -0.184 0.000 0.879 446 R HN 0.159 nan 8.270 nan 0.000 0.439 447 D N -0.108 120.274 120.400 -0.030 0.000 2.379 447 D HA -0.022 4.635 4.640 0.028 0.000 0.208 447 D C 1.363 177.772 176.300 0.182 0.000 1.065 447 D CA 0.210 54.244 54.000 0.057 0.000 0.848 447 D CB 0.141 40.916 40.800 -0.042 0.000 0.949 447 D HN 0.349 nan 8.370 nan 0.000 0.509 448 R N 0.779 121.411 120.500 0.220 0.000 2.355 448 R HA -0.017 4.339 4.340 0.028 0.000 0.219 448 R C 0.657 176.957 176.300 0.001 0.000 1.107 448 R CA 0.928 57.159 56.100 0.218 0.000 1.021 448 R CB -0.346 30.017 30.300 0.106 0.000 0.852 448 R HN -0.036 nan 8.270 nan 0.000 0.475 449 N N 0.195 118.821 118.700 -0.123 0.000 2.280 449 N HA 0.002 4.759 4.740 0.028 0.000 0.192 449 N C -0.544 174.826 175.510 -0.233 0.000 1.109 449 N CA 0.124 53.070 53.050 -0.173 0.000 0.855 449 N CB 0.169 38.545 38.487 -0.185 0.000 0.974 449 N HN 0.278 nan 8.380 nan 0.000 0.482 450 H N 1.758 120.773 119.070 -0.091 0.000 2.800 450 H HA 0.103 4.675 4.556 0.027 0.000 0.291 450 H C -1.163 174.020 175.328 -0.241 0.000 1.076 450 H CA -1.202 54.773 56.048 -0.121 0.000 1.452 450 H CB 1.434 31.159 29.762 -0.061 0.000 1.461 450 H HN 0.063 nan 8.280 nan 0.000 0.488 451 P HA -0.158 nan 4.420 nan 0.000 0.218 451 P C 1.512 178.375 177.300 -0.729 0.000 1.149 451 P CA 1.135 63.903 63.100 -0.553 0.000 0.817 451 P CB 0.288 31.452 31.700 -0.894 0.000 0.785 452 S N -0.565 114.797 115.700 -0.564 0.000 2.400 452 S HA -0.067 4.419 4.470 0.028 0.000 0.232 452 S C 1.116 175.682 174.600 -0.057 0.000 1.025 452 S CA 0.551 58.576 58.200 -0.291 0.000 0.993 452 S CB -1.611 61.547 63.200 -0.070 0.000 0.808 452 S HN -0.051 nan 8.310 nan 0.000 0.478 453 V N 3.720 123.577 119.914 -0.094 0.000 2.446 453 V HA 0.208 4.345 4.120 0.028 0.000 0.276 453 V C 1.169 177.127 176.094 -0.227 0.000 1.030 453 V CA 0.115 62.325 62.300 -0.151 0.000 1.033 453 V CB 0.271 31.899 31.823 -0.324 0.000 0.993 453 V HN 0.640 nan 8.190 nan 0.000 0.477 454 I N 2.646 123.140 120.570 -0.127 0.000 4.035 454 I HA 0.506 4.692 4.170 0.028 0.000 0.321 454 I C 0.384 176.393 176.117 -0.181 0.000 1.289 454 I CA 0.582 61.818 61.300 -0.106 0.000 1.236 454 I CB 0.431 38.452 38.000 0.035 0.000 1.076 454 I HN 0.333 nan 8.210 nan 0.000 0.418 455 I N -0.074 120.359 120.570 -0.229 0.000 2.752 455 I HA 0.347 4.533 4.170 0.028 0.000 0.295 455 I C -1.638 174.389 176.117 -0.151 0.000 1.219 455 I CA -0.388 60.822 61.300 -0.150 0.000 1.030 455 I CB 2.011 40.019 38.000 0.013 0.000 1.259 455 I HN 0.009 nan 8.210 nan 0.000 0.423 456 W N 3.711 125.057 121.300 0.077 0.000 2.496 456 W HA 0.650 5.324 4.660 0.024 0.000 0.327 456 W C 0.373 176.952 176.519 0.100 0.000 1.086 456 W CA -0.694 56.702 57.345 0.085 0.000 1.222 456 W CB 1.741 31.245 29.460 0.073 0.000 1.304 456 W HN 0.318 nan 8.180 nan 0.000 0.547 457 S N 2.741 118.665 115.700 0.372 0.000 2.482 457 S HA 0.401 4.888 4.470 0.028 0.000 0.303 457 S C 0.250 175.008 174.600 0.264 0.000 1.091 457 S CA -0.713 57.657 58.200 0.282 0.000 1.057 457 S CB 0.777 64.100 63.200 0.205 0.000 1.031 457 S HN 0.584 nan 8.310 nan 0.000 0.485 458 L N 4.192 125.561 121.223 0.244 0.000 2.650 458 L HA 0.333 4.690 4.340 0.028 0.000 0.235 458 L C 1.352 178.271 176.870 0.083 0.000 1.149 458 L CA 0.444 55.345 54.840 0.102 0.000 0.887 458 L CB -1.276 40.730 42.059 -0.088 0.000 1.021 458 L HN 0.999 nan 8.230 nan 0.000 0.441 459 G N -0.074 108.861 108.800 0.225 0.000 2.331 459 G HA2 -0.144 3.832 3.960 0.028 0.000 0.479 459 G HA3 -0.144 3.832 3.960 0.028 0.000 0.479 459 G C -1.602 173.499 174.900 0.334 0.000 1.262 459 G CA -0.732 44.510 45.100 0.238 0.000 1.029 459 G HN 0.150 nan 8.290 nan 0.000 0.487 460 N N 0.229 119.064 118.700 0.226 0.000 2.235 460 N HA 0.503 5.260 4.740 0.028 0.000 0.293 460 N C -0.334 175.148 175.510 -0.047 0.000 1.083 460 N CA -0.071 52.980 53.050 0.000 0.000 0.801 460 N CB 1.669 39.879 38.487 -0.462 0.000 1.559 460 N HN 0.823 nan 8.380 nan 0.000 0.472 461 E N 0.711 120.786 120.200 -0.208 0.000 2.024 461 E HA -0.184 4.182 4.350 0.028 0.000 0.163 461 E C -0.797 175.711 176.600 -0.154 0.000 1.490 461 E CA 0.699 56.889 56.400 -0.349 0.000 0.586 461 E CB -1.134 28.071 29.700 -0.824 0.000 1.041 461 E HN 0.418 nan 8.360 nan 0.000 0.296 462 S N 0.312 116.068 115.700 0.092 0.000 3.021 462 S HA 0.395 4.881 4.470 0.028 0.000 0.252 462 S C 0.619 175.387 174.600 0.280 0.000 0.996 462 S CA -0.232 58.084 58.200 0.193 0.000 1.084 462 S CB 1.407 64.773 63.200 0.277 0.000 1.021 462 S HN 0.875 nan 8.310 nan 0.000 0.566 463 G N 2.041 110.942 108.800 0.168 0.000 2.601 463 G HA2 -0.271 3.706 3.960 0.028 0.000 0.261 463 G HA3 -0.271 3.706 3.960 0.028 0.000 0.261 463 G C -0.479 174.633 174.900 0.352 0.000 1.289 463 G CA -0.020 45.191 45.100 0.185 0.000 0.920 463 G HN 0.694 nan 8.290 nan 0.000 0.571 464 H N 0.250 119.442 119.070 0.204 0.000 2.970 464 H HA 0.564 5.136 4.556 0.026 0.000 0.315 464 H C 0.395 175.909 175.328 0.309 0.000 0.992 464 H CA -0.244 55.971 56.048 0.278 0.000 1.363 464 H CB 0.481 30.337 29.762 0.155 0.000 1.532 464 H HN 0.983 nan 8.280 nan 0.000 0.514 465 G N 1.597 110.719 108.800 0.537 0.000 2.511 465 G HA2 0.439 4.416 3.960 0.028 0.000 0.318 465 G HA3 0.439 4.416 3.960 0.028 0.000 0.318 465 G C 0.730 175.637 174.900 0.011 0.000 1.210 465 G CA -0.172 44.969 45.100 0.070 0.000 0.969 465 G HN 0.711 nan 8.290 nan 0.000 0.484 466 A N 0.714 123.499 122.820 -0.059 0.000 1.986 466 A HA -0.150 4.187 4.320 0.028 0.000 0.220 466 A C 2.185 179.772 177.584 0.005 0.000 1.171 466 A CA 2.013 54.035 52.037 -0.025 0.000 0.640 466 A CB -0.465 18.520 19.000 -0.026 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.292 118.368 118.700 -0.066 0.000 2.205 467 N HA -0.163 4.594 4.740 0.028 0.000 0.186 467 N C 1.383 176.845 175.510 -0.079 0.000 1.015 467 N CA 1.800 54.790 53.050 -0.100 0.000 0.862 467 N CB -0.712 37.681 38.487 -0.156 0.000 0.986 467 N HN 0.806 nan 8.380 nan 0.000 0.429 468 H N 0.524 119.617 119.070 0.038 0.000 2.293 468 H HA -0.032 4.541 4.556 0.028 0.000 0.300 468 H C 1.355 176.763 175.328 0.133 0.000 1.082 468 H CA 1.392 57.459 56.048 0.032 0.000 1.308 468 H CB 0.060 29.851 29.762 0.048 0.000 1.375 468 H HN 0.176 nan 8.280 nan 0.000 0.495 469 D N 0.450 121.034 120.400 0.307 0.000 2.123 469 D HA -0.155 4.502 4.640 0.028 0.000 0.196 469 D C 2.291 178.744 176.300 0.256 0.000 0.992 469 D CA 1.232 55.389 54.000 0.261 0.000 0.833 469 D CB -0.420 40.504 40.800 0.207 0.000 0.954 469 D HN 0.441 nan 8.370 nan 0.000 0.455 470 A N 0.813 123.738 122.820 0.174 0.000 1.877 470 A HA -0.113 4.224 4.320 0.028 0.000 0.216 470 A C 2.442 180.137 177.584 0.185 0.000 1.186 470 A CA 0.893 53.022 52.037 0.152 0.000 0.620 470 A CB -0.760 18.291 19.000 0.084 0.000 0.822 470 A HN 0.191 nan 8.150 nan 0.000 0.443 471 L N -2.116 119.199 121.223 0.154 0.000 2.093 471 L HA -0.170 4.186 4.340 0.028 0.000 0.208 471 L C 2.573 179.579 176.870 0.226 0.000 1.085 471 L CA 1.635 56.561 54.840 0.143 0.000 0.755 471 L CB -0.703 41.374 42.059 0.031 0.000 0.904 471 L HN 0.606 nan 8.230 nan 0.000 0.435 472 Y N 1.171 121.548 120.300 0.128 0.000 2.114 472 Y HA -0.355 4.209 4.550 0.023 0.000 0.282 472 Y C 2.814 178.790 175.900 0.126 0.000 1.165 472 Y CA 1.859 60.035 58.100 0.126 0.000 1.148 472 Y CB -0.135 38.399 38.460 0.122 0.000 0.972 472 Y HN -0.030 nan 8.280 nan 0.000 0.504 473 R N -0.223 120.395 120.500 0.196 0.000 2.092 473 R HA -0.179 4.178 4.340 0.028 0.000 0.231 473 R C 2.001 178.311 176.300 0.016 0.000 1.119 473 R CA 1.801 57.945 56.100 0.073 0.000 0.970 473 R CB -1.467 28.939 30.300 0.178 0.000 0.864 473 R HN 0.644 nan 8.270 nan 0.000 0.440 474 W N 0.569 121.829 121.300 -0.067 0.000 2.335 474 W HA -0.177 4.500 4.660 0.028 0.000 0.311 474 W C 1.613 178.040 176.519 -0.153 0.000 1.213 474 W CA 2.097 59.386 57.345 -0.093 0.000 1.274 474 W CB -0.270 29.138 29.460 -0.087 0.000 1.148 474 W HN 0.074 nan 8.180 nan 0.000 0.498 475 I N 0.671 121.225 120.570 -0.028 0.000 2.163 475 I HA -0.340 3.847 4.170 0.028 0.000 0.240 475 I C 2.473 178.383 176.117 -0.345 0.000 1.081 475 I CA 1.397 62.526 61.300 -0.285 0.000 1.353 475 I CB -0.835 37.058 38.000 -0.179 0.000 1.054 475 I HN -0.142 nan 8.210 nan 0.000 0.407 476 K N 0.600 120.803 120.400 -0.328 0.000 2.160 476 K HA -0.202 4.135 4.320 0.028 0.000 0.206 476 K C 2.269 178.729 176.600 -0.234 0.000 1.047 476 K CA 1.829 57.951 56.287 -0.275 0.000 0.930 476 K CB -0.566 31.744 32.500 -0.318 0.000 0.720 476 K HN 0.374 nan 8.250 nan 0.000 0.450 477 S N 0.931 116.459 115.700 -0.287 0.000 2.388 477 S HA -0.079 4.407 4.470 0.028 0.000 0.223 477 S C 2.064 176.446 174.600 -0.362 0.000 1.034 477 S CA 1.040 59.077 58.200 -0.273 0.000 0.963 477 S CB -0.183 62.882 63.200 -0.225 0.000 0.827 477 S HN 0.157 nan 8.310 nan 0.000 0.481 478 V N -0.529 119.017 119.914 -0.612 0.000 2.871 478 V HA 0.263 4.399 4.120 0.028 0.000 0.256 478 V C 0.306 176.160 176.094 -0.401 0.000 1.082 478 V CA 1.597 63.532 62.300 -0.608 0.000 1.105 478 V CB -0.428 30.780 31.823 -1.026 0.000 0.713 478 V HN 0.490 nan 8.190 nan 0.000 0.473 479 D N 0.224 120.439 120.400 -0.308 0.000 2.586 479 D HA 0.358 5.015 4.640 0.028 0.000 0.254 479 D C -1.899 174.391 176.300 -0.017 0.000 1.248 479 D CA -1.564 52.365 54.000 -0.117 0.000 0.843 479 D CB 1.456 42.270 40.800 0.024 0.000 1.332 479 D HN 0.195 nan 8.370 nan 0.000 0.523 480 P HA -0.129 nan 4.420 nan 0.000 0.222 480 P C 1.375 178.695 177.300 0.032 0.000 1.147 480 P CA 0.725 63.819 63.100 -0.011 0.000 0.790 480 P CB 0.044 31.732 31.700 -0.020 0.000 0.780 481 S N -1.177 114.548 115.700 0.043 0.000 2.440 481 S HA -0.107 4.379 4.470 0.028 0.000 0.238 481 S C 0.970 175.597 174.600 0.045 0.000 1.010 481 S CA 0.449 58.678 58.200 0.049 0.000 0.972 481 S CB -0.608 62.614 63.200 0.037 0.000 0.774 481 S HN 0.157 nan 8.310 nan 0.000 0.501 482 R N 1.048 121.592 120.500 0.073 0.000 2.686 482 R HA 0.564 4.921 4.340 0.028 0.000 0.283 482 R C -3.190 173.160 176.300 0.084 0.000 0.978 482 R CA -2.422 53.690 56.100 0.019 0.000 0.897 482 R CB 1.406 31.604 30.300 -0.171 0.000 1.192 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.064 nan 4.420 nan 0.000 0.270 483 P C -0.849 176.548 177.300 0.162 0.000 1.223 483 P CA -0.330 62.829 63.100 0.098 0.000 0.785 483 P CB 0.640 32.384 31.700 0.073 0.000 0.923 484 V N 2.501 122.535 119.914 0.201 0.000 2.495 484 V HA 0.417 4.553 4.120 0.028 0.000 0.298 484 V C 0.262 176.531 176.094 0.291 0.000 1.031 484 V CA -0.311 62.151 62.300 0.270 0.000 0.871 484 V CB 1.152 33.089 31.823 0.191 0.000 0.988 484 V HN 0.628 nan 8.190 nan 0.000 0.432 485 Q N 3.713 123.667 119.800 0.256 0.000 2.552 485 Q HA 0.836 5.192 4.340 0.028 0.000 0.289 485 Q C -1.818 174.334 176.000 0.254 0.000 1.097 485 Q CA -0.949 54.974 55.803 0.201 0.000 0.812 485 Q CB 2.987 31.794 28.738 0.114 0.000 1.460 485 Q HN 0.619 nan 8.270 nan 0.000 0.452 486 Y N -0.408 119.895 120.300 0.004 0.000 2.393 486 Y HA 0.134 4.699 4.550 0.025 0.000 0.320 486 Y C -0.736 175.095 175.900 -0.115 0.000 1.241 486 Y CA -0.718 57.349 58.100 -0.055 0.000 1.122 486 Y CB 1.875 40.281 38.460 -0.089 0.000 1.322 486 Y HN 0.942 nan 8.280 nan 0.000 0.441 487 E N 3.213 122.913 120.200 -0.835 0.000 2.340 487 E HA 0.158 4.525 4.350 0.028 0.000 0.194 487 E C 0.707 176.860 176.600 -0.745 0.000 0.996 487 E CA 0.769 56.791 56.400 -0.630 0.000 0.869 487 E CB 0.281 29.762 29.700 -0.365 0.000 0.835 487 E HN 0.891 nan 8.360 nan 0.000 0.493 488 G N -0.117 107.847 108.800 -1.393 0.000 2.647 488 G HA2 0.224 4.200 3.960 0.028 0.000 0.234 488 G HA3 0.224 4.200 3.960 0.028 0.000 0.234 488 G C 0.776 175.503 174.900 -0.288 0.000 1.252 488 G CA 0.315 45.000 45.100 -0.692 0.000 0.846 488 G HN 0.349 nan 8.290 nan 0.000 0.589 489 G N -0.943 107.816 108.800 -0.068 0.000 2.198 489 G HA2 0.240 4.217 3.960 0.028 0.000 0.260 489 G HA3 0.240 4.217 3.960 0.028 0.000 0.260 489 G C 1.298 176.218 174.900 0.034 0.000 1.025 489 G CA 1.011 46.146 45.100 0.059 0.000 0.769 489 G HN 2.649 nan 8.290 nan 0.000 0.507 490 G N -1.500 107.304 108.800 0.006 0.000 2.148 490 G HA2 0.389 4.366 3.960 0.028 0.000 0.203 490 G HA3 0.389 4.366 3.960 0.028 0.000 0.203 490 G C 1.147 176.152 174.900 0.174 0.000 0.993 490 G CA 1.206 46.367 45.100 0.103 0.000 0.661 490 G HN 2.372 nan 8.290 nan 0.000 0.518 491 A N -0.387 122.425 122.820 -0.014 0.000 3.768 491 A HA -0.182 4.154 4.320 0.028 0.000 0.270 491 A C 1.228 178.737 177.584 -0.125 0.000 1.019 491 A CA 2.728 54.698 52.037 -0.112 0.000 1.058 491 A CB -1.672 17.242 19.000 -0.144 0.000 1.085 491 A HN 2.118 nan 8.150 nan 0.000 0.857 492 D N -0.971 119.443 120.400 0.023 0.000 2.740 492 D HA 0.303 4.959 4.640 0.028 0.000 0.301 492 D C 0.477 176.790 176.300 0.022 0.000 1.408 492 D CA 0.816 54.836 54.000 0.033 0.000 0.808 492 D CB -1.161 39.784 40.800 0.242 0.000 1.128 492 D HN 0.776 nan 8.370 nan 0.000 0.465 493 T N -2.284 112.228 114.554 -0.069 0.000 2.715 493 T HA 0.183 4.549 4.350 0.028 0.000 0.320 493 T C 1.542 176.166 174.700 -0.126 0.000 1.046 493 T CA 0.500 62.540 62.100 -0.099 0.000 0.983 493 T CB 0.447 69.086 68.868 -0.382 0.000 1.183 493 T HN 0.066 nan 8.240 nan 0.000 0.522 494 T N -2.505 111.990 114.554 -0.099 0.000 3.160 494 T HA 0.317 4.683 4.350 0.028 0.000 0.257 494 T C 1.503 175.953 174.700 -0.416 0.000 1.147 494 T CA 0.154 62.160 62.100 -0.156 0.000 1.064 494 T CB -0.439 68.408 68.868 -0.035 0.000 0.949 494 T HN 0.798 nan 8.240 nan 0.000 0.526 495 A N 0.567 123.138 122.820 -0.415 0.000 2.423 495 A HA 0.484 4.820 4.320 0.028 0.000 0.246 495 A C 0.881 178.279 177.584 -0.310 0.000 1.278 495 A CA -0.282 51.447 52.037 -0.513 0.000 0.903 495 A CB 0.094 19.015 19.000 -0.133 0.000 0.997 495 A HN 0.406 nan 8.150 nan 0.000 0.510 496 T N -1.112 113.296 114.554 -0.242 0.000 2.881 496 T HA 0.365 4.732 4.350 0.028 0.000 0.290 496 T C -0.426 174.299 174.700 0.042 0.000 1.000 496 T CA -0.461 61.642 62.100 0.004 0.000 0.978 496 T CB 1.119 69.977 68.868 -0.017 0.000 0.997 496 T HN 0.109 nan 8.240 nan 0.000 0.443 497 D N 3.048 123.547 120.400 0.166 0.000 2.323 497 D HA 0.208 4.864 4.640 0.028 0.000 0.209 497 D C 0.399 176.729 176.300 0.050 0.000 0.973 497 D CA 0.851 54.931 54.000 0.133 0.000 0.874 497 D CB 0.338 41.238 40.800 0.167 0.000 0.930 497 D HN 0.556 nan 8.370 nan 0.000 0.521 498 I N 1.121 121.704 120.570 0.022 0.000 2.465 498 I HA 0.242 4.429 4.170 0.028 0.000 0.291 498 I C -0.107 175.944 176.117 -0.110 0.000 1.014 498 I CA -0.877 60.400 61.300 -0.038 0.000 1.093 498 I CB 2.652 40.643 38.000 -0.016 0.000 1.267 498 I HN -0.326 nan 8.210 nan 0.000 0.431 499 I N 5.777 126.233 120.570 -0.190 0.000 2.494 499 I HA 0.027 4.214 4.170 0.028 0.000 0.289 499 I C 0.339 176.245 176.117 -0.351 0.000 1.106 499 I CA -0.037 61.045 61.300 -0.364 0.000 1.369 499 I CB -0.080 37.569 38.000 -0.587 0.000 1.410 499 I HN 0.696 nan 8.210 nan 0.000 0.523 500 C N 5.447 124.565 119.300 -0.304 0.000 3.163 500 C HA 0.449 4.925 4.460 0.028 0.000 0.228 500 C C -2.027 172.838 174.990 -0.209 0.000 1.593 500 C CA -2.332 56.562 59.018 -0.206 0.000 1.489 500 C CB -1.180 26.493 27.740 -0.111 0.000 2.294 500 C HN 0.441 nan 8.230 nan 0.000 0.508 501 P HA 0.223 nan 4.420 nan 0.000 0.271 501 P C -0.357 176.913 177.300 -0.049 0.000 1.233 501 P CA 0.567 63.576 63.100 -0.152 0.000 0.789 501 P CB 0.657 32.282 31.700 -0.125 0.000 0.951 502 M N 0.471 120.081 119.600 0.018 0.000 2.167 502 M HA 0.441 4.937 4.480 0.028 0.000 0.333 502 M C -0.813 175.546 176.300 0.097 0.000 1.030 502 M CA -0.696 54.549 55.300 -0.092 0.000 0.963 502 M CB 1.085 33.652 32.600 -0.054 0.000 1.589 502 M HN 0.287 nan 8.290 nan 0.000 0.431 503 Y N -0.113 120.361 120.300 0.291 0.000 4.177 503 Y HA -0.211 4.356 4.550 0.029 0.000 0.227 503 Y C 0.515 176.592 175.900 0.295 0.000 1.154 503 Y CA 0.527 58.802 58.100 0.293 0.000 1.887 503 Y CB -2.349 36.242 38.460 0.219 0.000 1.594 503 Y HN 0.971 nan 8.280 nan 0.000 0.668 504 A N 0.915 123.953 122.820 0.364 0.000 2.425 504 A HA 0.567 4.904 4.320 0.028 0.000 0.249 504 A C 0.762 178.559 177.584 0.354 0.000 1.084 504 A CA -0.406 51.846 52.037 0.359 0.000 0.781 504 A CB 0.399 19.655 19.000 0.426 0.000 1.019 504 A HN 0.441 nan 8.150 nan 0.000 0.490 505 R N 1.311 121.948 120.500 0.228 0.000 2.546 505 R HA 0.352 4.709 4.340 0.028 0.000 0.266 505 R C 1.143 177.399 176.300 -0.073 0.000 1.086 505 R CA -0.715 55.449 56.100 0.106 0.000 1.160 505 R CB 0.632 30.966 30.300 0.057 0.000 1.138 505 R HN 0.493 nan 8.270 nan 0.000 0.567 506 V N 0.754 120.459 119.914 -0.348 0.000 2.237 506 V HA -0.239 3.898 4.120 0.028 0.000 0.245 506 V C 1.018 176.986 176.094 -0.209 0.000 1.046 506 V CA 1.939 64.001 62.300 -0.396 0.000 1.007 506 V CB -0.258 31.233 31.823 -0.553 0.000 0.638 506 V HN 0.761 nan 8.190 nan 0.000 0.445 507 D N -1.590 118.721 120.400 -0.148 0.000 2.454 507 D HA 0.098 4.755 4.640 0.028 0.000 0.219 507 D C 0.938 177.213 176.300 -0.042 0.000 1.081 507 D CA 0.047 53.994 54.000 -0.087 0.000 0.867 507 D CB 0.603 41.361 40.800 -0.071 0.000 1.054 507 D HN 0.460 nan 8.370 nan 0.000 0.500 508 E N 1.897 122.077 120.200 -0.034 0.000 2.200 508 E HA 0.093 4.460 4.350 0.028 0.000 0.283 508 E C -0.789 175.806 176.600 -0.008 0.000 1.015 508 E CA -0.521 55.870 56.400 -0.016 0.000 0.819 508 E CB 0.958 30.651 29.700 -0.011 0.000 1.081 508 E HN -0.120 nan 8.360 nan 0.000 0.397 509 D N 3.323 123.719 120.400 -0.005 0.000 2.313 509 D HA 0.148 4.805 4.640 0.028 0.000 0.247 509 D C -0.534 175.672 176.300 -0.157 0.000 1.094 509 D CA 0.121 54.115 54.000 -0.010 0.000 0.925 509 D CB 1.114 41.977 40.800 0.105 0.000 1.188 509 D HN 0.385 nan 8.370 nan 0.000 0.430 510 Q N 0.946 120.538 119.800 -0.347 0.000 3.255 510 Q HA 0.227 4.584 4.340 0.028 0.000 0.231 510 Q C -2.341 173.084 176.000 -0.958 0.000 0.935 510 Q CA -1.403 54.012 55.803 -0.646 0.000 0.714 510 Q CB 2.266 30.578 28.738 -0.710 0.000 1.345 510 Q HN 0.154 nan 8.270 nan 0.000 0.463 511 P HA -0.024 nan 4.420 nan 0.000 0.232 511 P C -0.647 176.378 177.300 -0.457 0.000 1.738 511 P CA 0.019 62.738 63.100 -0.635 0.000 0.948 511 P CB -0.657 30.861 31.700 -0.303 0.000 1.943 512 F N 1.916 121.713 119.950 -0.255 0.000 2.545 512 F HA 0.145 4.688 4.527 0.027 0.000 0.348 512 F C -1.185 174.516 175.800 -0.164 0.000 1.163 512 F CA -2.113 55.788 58.000 -0.166 0.000 1.331 512 F CB -0.690 38.231 39.000 -0.132 0.000 1.138 512 F HN 0.085 nan 8.300 nan 0.000 0.602 513 P HA 0.224 nan 4.420 nan 0.000 0.275 513 P C 0.234 177.549 177.300 0.025 0.000 1.228 513 P CA 0.665 63.782 63.100 0.027 0.000 0.786 513 P CB 1.383 33.098 31.700 0.025 0.000 0.927 514 A N 2.299 125.126 122.820 0.011 0.000 2.066 514 A HA -0.248 4.088 4.320 0.028 0.000 0.231 514 A C 0.742 178.336 177.584 0.017 0.000 0.465 514 A CA 2.151 54.201 52.037 0.020 0.000 1.110 514 A CB -2.773 16.241 19.000 0.022 0.000 1.434 514 A HN 0.719 nan 8.150 nan 0.000 0.706 515 V N -2.871 117.051 119.914 0.014 0.000 2.454 515 V HA 0.570 4.707 4.120 0.028 0.000 0.255 515 V C -2.219 173.878 176.094 0.004 0.000 1.009 515 V CA -1.272 61.038 62.300 0.017 0.000 1.149 515 V CB 0.520 32.360 31.823 0.028 0.000 1.418 515 V HN 0.537 nan 8.190 nan 0.000 0.567 516 P HA 0.265 nan 4.420 nan 0.000 0.270 516 P C -0.672 176.238 177.300 -0.649 0.000 1.223 516 P CA 0.137 62.892 63.100 -0.575 0.000 0.785 516 P CB 0.941 31.866 31.700 -1.292 0.000 0.923 517 K N 1.958 121.987 120.400 -0.618 0.000 2.464 517 K HA 0.245 4.581 4.320 0.028 0.000 0.252 517 K C -0.547 175.735 176.600 -0.529 0.000 1.000 517 K CA -0.314 55.769 56.287 -0.341 0.000 0.951 517 K CB 0.588 33.172 32.500 0.141 0.000 1.183 517 K HN 0.450 nan 8.250 nan 0.000 0.445 518 W N 1.365 122.297 121.300 -0.612 0.000 2.161 518 W HA 0.113 4.790 4.660 0.028 0.000 0.344 518 W C 1.283 177.774 176.519 -0.046 0.000 1.262 518 W CA -0.537 56.550 57.345 -0.430 0.000 1.270 518 W CB 0.446 29.487 29.460 -0.698 0.000 1.126 518 W HN 0.383 nan 8.180 nan 0.000 0.598 519 S N 2.581 118.411 115.700 0.217 0.000 2.558 519 S HA -0.057 4.429 4.470 0.028 0.000 0.288 519 S C 1.090 175.819 174.600 0.214 0.000 1.318 519 S CA -0.228 58.050 58.200 0.131 0.000 1.056 519 S CB 0.186 63.413 63.200 0.045 0.000 0.853 519 S HN 0.513 nan 8.310 nan 0.000 0.505 520 I N 1.810 122.474 120.570 0.156 0.000 2.493 520 I HA -0.037 4.150 4.170 0.028 0.000 0.254 520 I C 2.095 178.223 176.117 0.017 0.000 1.160 520 I CA 0.995 62.399 61.300 0.173 0.000 1.445 520 I CB -0.323 37.727 38.000 0.082 0.000 1.086 520 I HN 0.564 nan 8.210 nan 0.000 0.433 521 K N 1.685 121.991 120.400 -0.157 0.000 2.057 521 K HA -0.166 4.171 4.320 0.028 0.000 0.206 521 K C 2.273 178.820 176.600 -0.089 0.000 1.050 521 K CA 1.788 57.863 56.287 -0.353 0.000 0.935 521 K CB -0.123 32.092 32.500 -0.474 0.000 0.715 521 K HN 0.338 nan 8.250 nan 0.000 0.439 522 K N -0.081 120.310 120.400 -0.015 0.000 2.057 522 K HA -0.183 4.154 4.320 0.028 0.000 0.206 522 K C 1.930 178.542 176.600 0.020 0.000 1.050 522 K CA 1.068 57.343 56.287 -0.019 0.000 0.935 522 K CB -0.146 32.312 32.500 -0.069 0.000 0.715 522 K HN 0.201 nan 8.250 nan 0.000 0.439 523 W N 1.966 123.243 121.300 -0.038 0.000 2.318 523 W HA -0.216 4.456 4.660 0.021 0.000 0.313 523 W C 1.601 178.100 176.519 -0.033 0.000 1.221 523 W CA 1.315 58.658 57.345 -0.002 0.000 1.266 523 W CB -0.700 28.835 29.460 0.124 0.000 1.150 523 W HN 0.128 nan 8.180 nan 0.000 0.496 524 L N 0.753 122.131 121.223 0.258 0.000 2.129 524 L HA -0.251 4.105 4.340 0.028 0.000 0.212 524 L C 2.102 179.039 176.870 0.111 0.000 1.087 524 L CA 2.050 56.976 54.840 0.144 0.000 0.757 524 L CB -0.976 41.148 42.059 0.109 0.000 0.896 524 L HN 0.011 nan 8.230 nan 0.000 0.434 525 S N -1.484 114.264 115.700 0.080 0.000 2.575 525 S HA 0.279 4.766 4.470 0.028 0.000 0.237 525 S C 0.519 175.109 174.600 -0.017 0.000 0.975 525 S CA -0.563 57.657 58.200 0.034 0.000 0.960 525 S CB -0.389 62.830 63.200 0.032 0.000 0.822 525 S HN 0.143 nan 8.310 nan 0.000 0.472 526 L N 1.942 123.145 121.223 -0.033 0.000 2.529 526 L HA 0.187 4.544 4.340 0.028 0.000 0.287 526 L C -2.216 174.625 176.870 -0.048 0.000 1.241 526 L CA -1.545 53.227 54.840 -0.113 0.000 0.857 526 L CB -0.448 41.516 42.059 -0.160 0.000 1.113 526 L HN 0.029 nan 8.230 nan 0.000 0.504 527 P HA -0.032 nan 4.420 nan 0.000 0.260 527 P C 0.781 178.077 177.300 -0.006 0.000 1.172 527 P CA 1.187 64.266 63.100 -0.035 0.000 0.760 527 P CB 0.527 32.201 31.700 -0.044 0.000 0.773 528 G N 1.897 110.700 108.800 0.005 0.000 2.284 528 G HA2 -0.272 3.705 3.960 0.028 0.000 0.247 528 G HA3 -0.272 3.705 3.960 0.028 0.000 0.247 528 G C 0.315 175.235 174.900 0.033 0.000 1.012 528 G CA 0.112 45.224 45.100 0.019 0.000 0.618 528 G HN 0.623 nan 8.290 nan 0.000 0.521 529 E N 1.275 121.501 120.200 0.043 0.000 2.360 529 E HA 0.567 4.934 4.350 0.028 0.000 0.269 529 E C 1.279 177.907 176.600 0.046 0.000 1.022 529 E CA 0.899 57.336 56.400 0.063 0.000 0.887 529 E CB 0.763 30.530 29.700 0.111 0.000 0.990 529 E HN 0.660 nan 8.360 nan 0.000 0.426 530 T N 0.555 115.132 114.554 0.038 0.000 3.252 530 T HA 0.311 4.678 4.350 0.028 0.000 0.295 530 T C 0.512 175.222 174.700 0.016 0.000 0.897 530 T CA -0.516 61.600 62.100 0.027 0.000 0.905 530 T CB 0.007 68.890 68.868 0.024 0.000 1.202 530 T HN 0.262 nan 8.240 nan 0.000 0.592 531 R N 2.242 122.747 120.500 0.008 0.000 2.637 531 R HA 0.475 4.832 4.340 0.028 0.000 0.269 531 R C -2.480 173.799 176.300 -0.034 0.000 1.089 531 R CA -1.723 54.370 56.100 -0.011 0.000 1.177 531 R CB 0.175 30.462 30.300 -0.022 0.000 1.091 531 R HN 0.233 nan 8.270 nan 0.000 0.540 532 P HA 0.113 nan 4.420 nan 0.000 0.276 532 P C -1.090 176.141 177.300 -0.115 0.000 1.252 532 P CA -0.169 62.889 63.100 -0.069 0.000 0.802 532 P CB 0.695 32.354 31.700 -0.069 0.000 1.035 533 L N 1.927 123.062 121.223 -0.146 0.000 2.376 533 L HA 0.562 4.919 4.340 0.028 0.000 0.275 533 L C -1.025 175.707 176.870 -0.230 0.000 0.987 533 L CA -0.635 54.081 54.840 -0.206 0.000 0.828 533 L CB 0.682 42.617 42.059 -0.207 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.719 126.160 120.570 -0.215 0.000 2.468 534 I HA 0.263 4.450 4.170 0.028 0.000 0.284 534 I C -0.655 175.377 176.117 -0.141 0.000 1.038 534 I CA -0.550 60.612 61.300 -0.230 0.000 1.083 534 I CB 1.946 39.868 38.000 -0.130 0.000 1.223 534 I HN 0.478 nan 8.210 nan 0.000 0.443 535 L N 5.621 126.735 121.223 -0.181 0.000 2.513 535 L HA -0.013 4.343 4.340 0.028 0.000 0.272 535 L C 1.523 178.484 176.870 0.152 0.000 1.187 535 L CA -0.086 54.720 54.840 -0.057 0.000 0.895 535 L CB 0.563 42.558 42.059 -0.106 0.000 1.147 535 L HN 0.871 nan 8.230 nan 0.000 0.483 536 C N 0.471 119.842 119.300 0.118 0.000 2.468 536 C HA 0.161 4.638 4.460 0.028 0.000 0.277 536 C C 0.653 175.792 174.990 0.247 0.000 1.400 536 C CA -0.205 58.921 59.018 0.179 0.000 1.770 536 C CB -0.991 26.762 27.740 0.022 0.000 1.905 536 C HN 0.826 nan 8.230 nan 0.000 0.519 537 E N -0.828 119.460 120.200 0.147 0.000 2.321 537 E HA 0.598 4.964 4.350 0.028 0.000 0.281 537 E C -1.408 175.113 176.600 -0.132 0.000 0.910 537 E CA -0.387 56.079 56.400 0.110 0.000 0.770 537 E CB 2.022 31.665 29.700 -0.096 0.000 1.225 537 E HN 0.661 nan 8.360 nan 0.000 0.417 538 Y N -0.873 119.380 120.300 -0.078 0.000 2.713 538 Y HA 0.623 5.190 4.550 0.030 0.000 0.335 538 Y C -0.778 175.265 175.900 0.239 0.000 1.222 538 Y CA -0.845 57.198 58.100 -0.095 0.000 1.061 538 Y CB 0.811 39.114 38.460 -0.261 0.000 1.314 538 Y HN 0.646 nan 8.280 nan 0.000 0.453 539 A N 2.008 124.868 122.820 0.067 0.000 2.183 539 A HA -0.263 4.074 4.320 0.028 0.000 0.278 539 A C -0.441 177.288 177.584 0.242 0.000 1.404 539 A CA 1.071 53.180 52.037 0.119 0.000 0.737 539 A CB -2.397 16.614 19.000 0.018 0.000 1.172 539 A HN 1.088 nan 8.150 nan 0.000 0.338 540 H N 0.974 120.232 119.070 0.312 0.000 3.138 540 H HA 0.276 4.849 4.556 0.028 0.000 0.275 540 H C 1.168 176.585 175.328 0.149 0.000 0.997 540 H CA 0.744 56.988 56.048 0.326 0.000 1.460 540 H CB 0.536 30.398 29.762 0.167 0.000 1.524 540 H HN 0.803 nan 8.280 nan 0.000 0.532 541 A N 6.436 129.212 122.820 -0.073 0.000 2.543 541 A HA 0.048 4.384 4.320 0.028 0.000 0.258 541 A C 0.895 178.362 177.584 -0.196 0.000 1.391 541 A CA -0.353 51.602 52.037 -0.136 0.000 1.066 541 A CB -0.617 18.280 19.000 -0.171 0.000 0.972 541 A HN 0.787 nan 8.150 nan 0.000 0.560 542 M N 1.191 120.660 119.600 -0.218 0.000 2.194 542 M HA 0.429 4.926 4.480 0.028 0.000 0.347 542 M C 1.133 177.292 176.300 -0.236 0.000 1.439 542 M CA 1.248 56.412 55.300 -0.227 0.000 1.131 542 M CB -0.069 32.418 32.600 -0.188 0.000 1.733 542 M HN 0.775 nan 8.290 nan 0.000 0.467 543 G N 4.269 112.915 108.800 -0.256 0.000 2.583 543 G HA2 -0.347 3.629 3.960 0.028 0.000 0.292 543 G HA3 -0.347 3.629 3.960 0.028 0.000 0.292 543 G C -0.065 174.371 174.900 -0.774 0.000 1.203 543 G CA 0.105 44.897 45.100 -0.513 0.000 0.987 543 G HN 0.803 nan 8.290 nan 0.000 0.554 544 N N 1.471 119.588 118.700 -0.971 0.000 2.508 544 N HA 0.497 5.254 4.740 0.028 0.000 0.253 544 N C -0.074 175.206 175.510 -0.383 0.000 1.145 544 N CA 1.025 53.639 53.050 -0.726 0.000 0.973 544 N CB 0.528 38.617 38.487 -0.664 0.000 1.305 544 N HN 0.740 nan 8.380 nan 0.000 0.506 545 S N 1.915 117.474 115.700 -0.235 0.000 2.911 545 S HA 0.635 5.122 4.470 0.028 0.000 0.319 545 S C 0.035 174.592 174.600 -0.072 0.000 1.154 545 S CA -0.345 57.774 58.200 -0.135 0.000 0.857 545 S CB 0.334 63.476 63.200 -0.097 0.000 1.279 545 S HN 0.364 nan 8.310 nan 0.000 0.593 546 L N 0.078 121.297 121.223 -0.007 0.000 4.696 546 L HA -0.056 4.301 4.340 0.028 0.000 0.398 546 L C 0.585 177.525 176.870 0.118 0.000 0.971 546 L CA 0.799 55.670 54.840 0.051 0.000 1.427 546 L CB -1.785 40.221 42.059 -0.088 0.000 1.965 546 L HN 0.746 nan 8.230 nan 0.000 0.593 547 G N -0.468 108.365 108.800 0.055 0.000 2.299 547 G HA2 0.453 4.430 3.960 0.028 0.000 0.256 547 G HA3 0.453 4.430 3.960 0.028 0.000 0.256 547 G C 1.243 176.209 174.900 0.109 0.000 1.259 547 G CA 0.342 45.455 45.100 0.021 0.000 0.943 547 G HN 1.404 nan 8.290 nan 0.000 0.479 548 G N 2.023 110.886 108.800 0.105 0.000 2.141 548 G HA2 -0.307 3.670 3.960 0.028 0.000 0.231 548 G HA3 -0.307 3.670 3.960 0.028 0.000 0.231 548 G C 0.939 176.028 174.900 0.314 0.000 0.984 548 G CA 0.642 45.850 45.100 0.180 0.000 0.660 548 G HN 0.765 nan 8.290 nan 0.000 0.525 549 F N 1.725 121.808 119.950 0.223 0.000 2.126 549 F HA 0.091 4.635 4.527 0.029 0.000 0.299 549 F C 2.670 178.699 175.800 0.380 0.000 1.096 549 F CA 2.650 60.853 58.000 0.338 0.000 1.255 549 F CB -0.372 38.760 39.000 0.220 0.000 0.997 549 F HN 0.350 nan 8.300 nan 0.000 0.479 550 A N -0.429 122.563 122.820 0.286 0.000 2.019 550 A HA -0.231 4.106 4.320 0.028 0.000 0.219 550 A C 2.291 179.909 177.584 0.056 0.000 1.164 550 A CA 1.697 53.840 52.037 0.178 0.000 0.644 550 A CB -0.777 18.325 19.000 0.170 0.000 0.805 550 A HN 0.439 nan 8.150 nan 0.000 0.449 551 K N -1.613 118.800 120.400 0.022 0.000 2.097 551 K HA -0.170 4.167 4.320 0.028 0.000 0.206 551 K C 1.689 178.068 176.600 -0.367 0.000 1.049 551 K CA 1.588 57.803 56.287 -0.121 0.000 0.933 551 K CB -0.277 32.167 32.500 -0.093 0.000 0.717 551 K HN 0.605 nan 8.250 nan 0.000 0.442 552 Y N -0.823 119.191 120.300 -0.476 0.000 2.163 552 Y HA -0.235 4.330 4.550 0.027 0.000 0.288 552 Y C 1.988 176.922 175.900 -1.608 0.000 1.136 552 Y CA 1.469 58.923 58.100 -1.076 0.000 1.147 552 Y CB -0.376 37.371 38.460 -1.188 0.000 0.987 552 Y HN 0.165 nan 8.280 nan 0.000 0.509 553 W N 0.190 121.070 121.300 -0.700 0.000 2.342 553 W HA -0.236 4.443 4.660 0.031 0.000 0.297 553 W C 2.613 178.956 176.519 -0.293 0.000 1.213 553 W CA 1.644 58.703 57.345 -0.476 0.000 1.251 553 W CB -0.717 28.569 29.460 -0.291 0.000 1.136 553 W HN 0.081 nan 8.180 nan 0.000 0.526 554 Q N 0.592 120.289 119.800 -0.171 0.000 2.050 554 Q HA -0.188 4.169 4.340 0.028 0.000 0.202 554 Q C 2.267 178.200 176.000 -0.112 0.000 0.980 554 Q CA 2.155 57.904 55.803 -0.090 0.000 0.840 554 Q CB -0.671 28.027 28.738 -0.067 0.000 0.898 554 Q HN 0.274 nan 8.270 nan 0.000 0.424 555 A N 0.088 122.755 122.820 -0.256 0.000 1.902 555 A HA -0.133 4.204 4.320 0.028 0.000 0.217 555 A C 2.061 179.627 177.584 -0.030 0.000 1.181 555 A CA 1.161 53.094 52.037 -0.172 0.000 0.623 555 A CB -1.114 17.662 19.000 -0.374 0.000 0.818 555 A HN 0.483 nan 8.150 nan 0.000 0.443 556 F N -0.456 119.317 119.950 -0.296 0.000 2.120 556 F HA -0.251 4.293 4.527 0.028 0.000 0.300 556 F C 2.789 178.482 175.800 -0.179 0.000 1.095 556 F CA 1.312 59.096 58.000 -0.360 0.000 1.249 556 F CB -0.154 38.386 39.000 -0.766 0.000 0.995 556 F HN 0.172 nan 8.300 nan 0.000 0.480 557 R N -0.192 120.350 120.500 0.069 0.000 2.119 557 R HA -0.125 4.232 4.340 0.028 0.000 0.222 557 R C 2.093 178.413 176.300 0.034 0.000 1.088 557 R CA 0.865 56.991 56.100 0.043 0.000 0.984 557 R CB -0.313 30.008 30.300 0.035 0.000 0.884 557 R HN 0.365 nan 8.270 nan 0.000 0.447 558 Q N -0.284 119.559 119.800 0.073 0.000 2.212 558 Q HA -0.042 4.315 4.340 0.028 0.000 0.199 558 Q C -0.470 175.505 176.000 -0.041 0.000 0.950 558 Q CA 0.854 56.675 55.803 0.030 0.000 0.863 558 Q CB 0.408 29.184 28.738 0.062 0.000 0.944 558 Q HN 0.194 nan 8.270 nan 0.000 0.465 559 Y N 0.351 120.628 120.300 -0.038 0.000 2.353 559 Y HA 0.257 4.822 4.550 0.025 0.000 0.340 559 Y C -1.750 174.122 175.900 -0.046 0.000 0.972 559 Y CA -2.728 55.350 58.100 -0.036 0.000 1.157 559 Y CB 1.449 39.892 38.460 -0.028 0.000 1.157 559 Y HN 0.134 nan 8.280 nan 0.000 0.495 560 P HA -0.143 nan 4.420 nan 0.000 0.215 560 P C 1.105 178.402 177.300 -0.004 0.000 1.153 560 P CA 1.673 64.769 63.100 -0.006 0.000 0.853 560 P CB 0.320 32.002 31.700 -0.031 0.000 0.788 561 R N -1.150 119.367 120.500 0.028 0.000 2.307 561 R HA 0.117 4.474 4.340 0.028 0.000 0.199 561 R C 0.479 176.756 176.300 -0.037 0.000 1.000 561 R CA 0.106 56.205 56.100 -0.002 0.000 1.023 561 R CB -0.402 29.911 30.300 0.021 0.000 0.908 561 R HN 0.244 nan 8.270 nan 0.000 0.473 562 L N 1.879 123.097 121.223 -0.009 0.000 2.302 562 L HA 0.147 4.504 4.340 0.028 0.000 0.285 562 L C 0.560 177.290 176.870 -0.233 0.000 1.090 562 L CA 0.109 54.901 54.840 -0.080 0.000 0.866 562 L CB 1.177 43.266 42.059 0.051 0.000 1.244 562 L HN 0.067 nan 8.230 nan 0.000 0.435 563 Q N 2.601 122.185 119.800 -0.360 0.000 2.201 563 Q HA 0.302 4.659 4.340 0.028 0.000 0.217 563 Q C 0.856 176.438 176.000 -0.696 0.000 0.860 563 Q CA 0.133 55.680 55.803 -0.426 0.000 0.984 563 Q CB 0.980 29.562 28.738 -0.260 0.000 1.095 563 Q HN 0.950 nan 8.270 nan 0.000 0.477 564 G N -0.335 107.656 108.800 -1.349 0.000 2.384 564 G HA2 0.143 4.119 3.960 0.028 0.000 0.200 564 G HA3 0.143 4.119 3.960 0.028 0.000 0.200 564 G C -0.361 173.697 174.900 -1.403 0.000 1.205 564 G CA -0.737 43.240 45.100 -1.872 0.000 1.116 564 G HN 0.568 nan 8.290 nan 0.000 0.547 565 G N -2.089 106.231 108.800 -0.800 0.000 2.328 565 G HA2 0.613 4.590 3.960 0.028 0.000 0.295 565 G HA3 0.613 4.590 3.960 0.028 0.000 0.295 565 G C -1.804 173.062 174.900 -0.056 0.000 1.413 565 G CA -0.319 44.549 45.100 -0.387 0.000 0.817 565 G HN 1.120 nan 8.290 nan 0.000 0.546 566 F N 0.876 121.074 119.950 0.413 0.000 2.347 566 F HA 0.496 5.039 4.527 0.026 0.000 0.366 566 F C 0.930 176.960 175.800 0.382 0.000 1.107 566 F CA -0.682 57.547 58.000 0.382 0.000 1.058 566 F CB 1.943 41.077 39.000 0.223 0.000 1.236 566 F HN 0.269 nan 8.300 nan 0.000 0.456 567 V N 3.703 123.862 119.914 0.409 0.000 2.901 567 V HA -0.179 3.958 4.120 0.028 0.000 0.307 567 V C -0.240 175.965 176.094 0.185 0.000 1.084 567 V CA 0.023 62.363 62.300 0.068 0.000 1.184 567 V CB 0.666 32.550 31.823 0.103 0.000 0.941 567 V HN 0.732 nan 8.190 nan 0.000 0.493 568 W N 6.572 127.932 121.300 0.100 0.000 2.282 568 W HA 0.446 5.123 4.660 0.027 0.000 0.322 568 W C -0.787 175.745 176.519 0.022 0.000 1.011 568 W CA -0.710 56.745 57.345 0.183 0.000 1.392 568 W CB 1.204 30.959 29.460 0.492 0.000 1.215 568 W HN 0.904 nan 8.180 nan 0.000 0.394 569 D N 2.449 122.579 120.400 -0.449 0.000 2.759 569 D HA 0.070 4.727 4.640 0.028 0.000 0.321 569 D C 0.793 176.865 176.300 -0.380 0.000 1.267 569 D CA -0.592 52.985 54.000 -0.706 0.000 0.933 569 D CB 0.210 40.013 40.800 -1.662 0.000 1.431 569 D HN 0.395 nan 8.370 nan 0.000 0.504 570 W N 0.447 121.432 121.300 -0.525 0.000 2.329 570 W HA 0.004 4.681 4.660 0.028 0.000 0.324 570 W C 0.059 176.349 176.519 -0.383 0.000 1.222 570 W CA 1.699 58.788 57.345 -0.428 0.000 1.270 570 W CB 0.252 29.484 29.460 -0.381 0.000 1.167 570 W HN 0.186 nan 8.180 nan 0.000 0.467 571 V N 2.095 121.756 119.914 -0.422 0.000 2.841 571 V HA 0.230 4.367 4.120 0.028 0.000 0.310 571 V C -0.751 175.125 176.094 -0.364 0.000 1.090 571 V CA -0.943 61.058 62.300 -0.500 0.000 0.930 571 V CB 1.565 33.174 31.823 -0.355 0.000 1.014 571 V HN -0.070 nan 8.190 nan 0.000 0.425 572 D N 3.981 124.169 120.400 -0.354 0.000 2.506 572 D HA 0.056 4.713 4.640 0.028 0.000 0.234 572 D C 0.223 176.332 176.300 -0.318 0.000 1.143 572 D CA 0.626 54.478 54.000 -0.246 0.000 0.871 572 D CB 0.829 41.575 40.800 -0.090 0.000 1.190 572 D HN 0.635 nan 8.370 nan 0.000 0.459 573 Q N 0.814 120.374 119.800 -0.400 0.000 2.894 573 Q HA 0.111 4.467 4.340 0.028 0.000 0.358 573 Q C -0.104 175.823 176.000 -0.121 0.000 1.155 573 Q CA -0.335 54.990 55.803 -0.796 0.000 0.960 573 Q CB 0.138 28.575 28.738 -0.502 0.000 1.428 573 Q HN 0.364 nan 8.270 nan 0.000 0.437 574 S N -0.382 115.369 115.700 0.085 0.000 2.601 574 S HA 0.581 5.067 4.470 0.028 0.000 0.271 574 S C -0.029 174.759 174.600 0.314 0.000 1.305 574 S CA -0.667 57.701 58.200 0.280 0.000 1.022 574 S CB 1.445 64.777 63.200 0.221 0.000 0.940 574 S HN 0.306 nan 8.310 nan 0.000 0.525 575 L N 1.180 122.515 121.223 0.187 0.000 2.323 575 L HA 0.551 4.908 4.340 0.028 0.000 0.265 575 L C -0.731 176.046 176.870 -0.154 0.000 1.012 575 L CA -1.301 53.526 54.840 -0.022 0.000 0.820 575 L CB 1.512 43.477 42.059 -0.157 0.000 1.334 575 L HN 0.524 nan 8.230 nan 0.000 0.427 576 I N 1.971 122.393 120.570 -0.247 0.000 2.365 576 I HA 0.321 4.508 4.170 0.028 0.000 0.291 576 I C 0.009 175.743 176.117 -0.639 0.000 1.004 576 I CA -0.358 60.663 61.300 -0.465 0.000 1.311 576 I CB 1.099 38.846 38.000 -0.422 0.000 1.401 576 I HN 0.510 nan 8.210 nan 0.000 0.491 577 K N 5.928 125.670 120.400 -1.097 0.000 2.340 577 K HA 0.578 4.915 4.320 0.028 0.000 0.244 577 K C -1.550 174.351 176.600 -1.164 0.000 0.973 577 K CA -0.796 54.836 56.287 -1.092 0.000 0.828 577 K CB 2.204 33.893 32.500 -1.352 0.000 1.226 577 K HN 0.205 nan 8.250 nan 0.000 0.437 578 Y N 0.892 121.078 120.300 -0.190 0.000 2.393 578 Y HA 0.127 4.694 4.550 0.028 0.000 0.341 578 Y C 0.329 176.369 175.900 0.235 0.000 0.988 578 Y CA -1.011 57.113 58.100 0.040 0.000 1.078 578 Y CB 1.174 39.643 38.460 0.015 0.000 1.203 578 Y HN 0.689 nan 8.280 nan 0.000 0.453 579 D N 0.162 120.825 120.400 0.439 0.000 2.447 579 D HA 0.058 4.715 4.640 0.028 0.000 0.265 579 D C 0.309 176.721 176.300 0.187 0.000 1.250 579 D CA -0.450 53.720 54.000 0.285 0.000 1.046 579 D CB 0.517 41.414 40.800 0.163 0.000 1.095 579 D HN 0.635 nan 8.370 nan 0.000 0.555 580 E N -1.270 118.994 120.200 0.107 0.000 2.463 580 E HA -0.115 4.251 4.350 0.028 0.000 0.201 580 E C 0.218 176.855 176.600 0.061 0.000 1.045 580 E CA 0.851 57.292 56.400 0.069 0.000 0.872 580 E CB -0.319 29.402 29.700 0.035 0.000 0.797 580 E HN 0.335 nan 8.360 nan 0.000 0.538 581 N N -0.712 118.037 118.700 0.082 0.000 2.171 581 N HA 0.155 4.912 4.740 0.028 0.000 0.212 581 N C 0.491 176.050 175.510 0.081 0.000 1.184 581 N CA 0.558 53.648 53.050 0.066 0.000 0.888 581 N CB 1.500 40.022 38.487 0.059 0.000 1.038 581 N HN 0.163 nan 8.380 nan 0.000 0.517 582 G N 0.825 109.703 108.800 0.130 0.000 2.160 582 G HA2 -0.266 3.711 3.960 0.028 0.000 0.244 582 G HA3 -0.266 3.711 3.960 0.028 0.000 0.244 582 G C -0.672 174.417 174.900 0.315 0.000 1.022 582 G CA -0.465 44.729 45.100 0.157 0.000 0.741 582 G HN 0.246 nan 8.290 nan 0.000 0.508 583 N N 1.892 120.768 118.700 0.293 0.000 2.406 583 N HA 0.376 5.132 4.740 0.028 0.000 0.251 583 N C -2.350 173.333 175.510 0.290 0.000 1.069 583 N CA -1.087 52.123 53.050 0.267 0.000 0.947 583 N CB 1.689 40.283 38.487 0.178 0.000 1.111 583 N HN 0.232 nan 8.380 nan 0.000 0.497 584 P HA 0.139 nan 4.420 nan 0.000 0.271 584 P C -0.391 176.878 177.300 -0.052 0.000 1.216 584 P CA -0.154 62.803 63.100 -0.238 0.000 0.771 584 P CB 0.508 32.094 31.700 -0.191 0.000 0.864 585 W N 0.141 121.234 121.300 -0.344 0.000 3.033 585 W HA 0.435 5.112 4.660 0.028 0.000 0.336 585 W C -1.230 175.109 176.519 -0.300 0.000 1.173 585 W CA -1.175 55.975 57.345 -0.325 0.000 1.185 585 W CB 0.259 29.351 29.460 -0.614 0.000 1.425 585 W HN 0.131 nan 8.180 nan 0.000 0.536 586 S N 1.741 117.463 115.700 0.035 0.000 2.455 586 S HA 0.492 4.978 4.470 0.028 0.000 0.278 586 S C 0.272 174.927 174.600 0.091 0.000 1.216 586 S CA -0.222 57.981 58.200 0.006 0.000 1.055 586 S CB 0.646 63.926 63.200 0.133 0.000 0.939 586 S HN 0.599 nan 8.310 nan 0.000 0.494 587 A N 3.121 125.828 122.820 -0.188 0.000 2.306 587 A HA 0.811 5.148 4.320 0.028 0.000 0.330 587 A C -0.446 177.335 177.584 0.328 0.000 1.146 587 A CA -0.795 51.185 52.037 -0.095 0.000 0.827 587 A CB 0.506 19.092 19.000 -0.690 0.000 1.178 587 A HN 0.841 nan 8.150 nan 0.000 0.490 588 Y N -0.190 120.365 120.300 0.425 0.000 2.876 588 Y HA 0.784 5.351 4.550 0.028 0.000 0.318 588 Y C 0.737 176.991 175.900 0.590 0.000 1.275 588 Y CA -1.226 57.158 58.100 0.473 0.000 1.144 588 Y CB -0.123 38.457 38.460 0.200 0.000 1.376 588 Y HN 0.856 nan 8.280 nan 0.000 0.589 589 G N -0.431 108.797 108.800 0.713 0.000 2.474 589 G HA2 0.349 4.325 3.960 0.028 0.000 0.233 589 G HA3 0.349 4.325 3.960 0.028 0.000 0.233 589 G C 0.973 176.175 174.900 0.503 0.000 1.278 589 G CA 0.287 45.710 45.100 0.537 0.000 0.861 589 G HN 1.938 nan 8.290 nan 0.000 0.567 590 G N 1.751 110.805 108.800 0.424 0.000 2.304 590 G HA2 -0.317 3.660 3.960 0.028 0.000 0.252 590 G HA3 -0.317 3.660 3.960 0.028 0.000 0.252 590 G C 0.979 176.036 174.900 0.262 0.000 1.014 590 G CA 0.828 46.113 45.100 0.307 0.000 0.619 590 G HN 0.662 nan 8.290 nan 0.000 0.525 591 D N -0.008 120.528 120.400 0.226 0.000 2.384 591 D HA 0.084 4.740 4.640 0.028 0.000 0.222 591 D C 1.349 177.468 176.300 -0.302 0.000 0.976 591 D CA 0.647 54.599 54.000 -0.080 0.000 0.915 591 D CB -0.256 40.398 40.800 -0.244 0.000 0.896 591 D HN 0.510 nan 8.370 nan 0.000 0.523 592 F N -0.894 119.172 119.950 0.193 0.000 2.668 592 F HA 0.330 4.874 4.527 0.028 0.000 0.301 592 F C 1.750 177.625 175.800 0.124 0.000 1.106 592 F CA -0.240 57.830 58.000 0.117 0.000 1.289 592 F CB 0.653 39.709 39.000 0.093 0.000 1.006 592 F HN -0.051 nan 8.300 nan 0.000 0.535 593 G N 0.575 109.517 108.800 0.238 0.000 2.159 593 G HA2 -0.274 3.703 3.960 0.028 0.000 0.256 593 G HA3 -0.274 3.703 3.960 0.028 0.000 0.256 593 G C -0.221 174.806 174.900 0.211 0.000 0.977 593 G CA 0.127 45.337 45.100 0.184 0.000 0.652 593 G HN 0.429 nan 8.290 nan 0.000 0.531 594 D N 0.337 120.914 120.400 0.295 0.000 2.417 594 D HA 0.479 5.136 4.640 0.028 0.000 0.250 594 D C 0.063 176.478 176.300 0.192 0.000 1.166 594 D CA 0.905 55.070 54.000 0.275 0.000 0.881 594 D CB 1.654 42.689 40.800 0.391 0.000 1.164 594 D HN 0.251 nan 8.370 nan 0.000 0.467 595 T N 1.441 116.077 114.554 0.137 0.000 3.097 595 T HA 0.408 4.775 4.350 0.028 0.000 0.332 595 T C -2.773 171.958 174.700 0.051 0.000 1.269 595 T CA -1.148 61.004 62.100 0.087 0.000 1.076 595 T CB 1.248 70.166 68.868 0.085 0.000 1.209 595 T HN 0.210 nan 8.240 nan 0.000 0.474 596 P HA 0.468 nan 4.420 nan 0.000 0.274 596 P C -0.896 176.384 177.300 -0.034 0.000 1.237 596 P CA -0.507 62.586 63.100 -0.011 0.000 0.793 596 P CB 0.484 32.153 31.700 -0.053 0.000 0.977 597 N N -0.504 118.173 118.700 -0.039 0.000 2.610 597 N HA 0.168 4.924 4.740 0.028 0.000 0.264 597 N C -1.225 174.215 175.510 -0.116 0.000 1.348 597 N CA -0.617 52.379 53.050 -0.091 0.000 0.819 597 N CB 1.347 39.871 38.487 0.062 0.000 1.521 597 N HN 0.117 nan 8.380 nan 0.000 0.497 598 D N -0.359 119.889 120.400 -0.254 0.000 2.358 598 D HA 0.097 4.754 4.640 0.028 0.000 0.224 598 D C 0.750 177.247 176.300 0.327 0.000 1.123 598 D CA -0.206 53.742 54.000 -0.088 0.000 0.833 598 D CB 0.217 40.816 40.800 -0.334 0.000 0.946 598 D HN 0.617 nan 8.370 nan 0.000 0.505 599 R N 0.246 120.949 120.500 0.337 0.000 3.750 599 R HA -0.368 3.989 4.340 0.028 0.000 0.495 599 R C 1.270 177.663 176.300 0.156 0.000 0.241 599 R CA 1.514 57.835 56.100 0.368 0.000 1.551 599 R CB -1.377 29.065 30.300 0.238 0.000 0.956 599 R HN 0.213 nan 8.270 nan 0.000 0.584 600 Q N 1.314 120.866 119.800 -0.413 0.000 2.488 600 Q HA -0.054 4.303 4.340 0.028 0.000 0.211 600 Q C 1.608 177.334 176.000 -0.457 0.000 0.967 600 Q CA 1.582 56.918 55.803 -0.778 0.000 0.926 600 Q CB -0.036 28.041 28.738 -1.102 0.000 0.992 600 Q HN 0.593 nan 8.270 nan 0.000 0.506 601 F N 1.715 121.587 119.950 -0.129 0.000 2.529 601 F HA -0.152 4.391 4.527 0.028 0.000 0.297 601 F C 2.108 177.817 175.800 -0.152 0.000 1.114 601 F CA 1.191 59.182 58.000 -0.016 0.000 1.467 601 F CB -0.209 38.851 39.000 0.100 0.000 1.096 601 F HN 0.442 nan 8.300 nan 0.000 0.586 602 C N -1.669 117.268 119.300 -0.605 0.000 2.697 602 C HA 0.365 4.842 4.460 0.028 0.000 0.267 602 C C 0.806 175.570 174.990 -0.377 0.000 1.278 602 C CA -0.600 57.925 59.018 -0.822 0.000 1.708 602 C CB -1.719 24.960 27.740 -1.768 0.000 1.860 602 C HN 0.164 nan 8.230 nan 0.000 0.589 603 M N 2.525 121.953 119.600 -0.286 0.000 2.036 603 M HA 0.313 4.809 4.480 0.028 0.000 0.337 603 M C -0.442 175.740 176.300 -0.197 0.000 1.012 603 M CA 0.301 55.481 55.300 -0.201 0.000 0.962 603 M CB 0.206 32.729 32.600 -0.129 0.000 1.423 603 M HN 0.309 nan 8.290 nan 0.000 0.405 604 N N 0.733 119.323 118.700 -0.183 0.000 2.232 604 N HA 0.198 4.954 4.740 0.028 0.000 0.240 604 N C 0.321 175.651 175.510 -0.301 0.000 1.307 604 N CA -0.542 52.369 53.050 -0.231 0.000 0.859 604 N CB 1.249 39.666 38.487 -0.117 0.000 1.260 604 N HN 0.668 nan 8.380 nan 0.000 0.501 605 G N -0.023 108.553 108.800 -0.373 0.000 2.547 605 G HA2 0.379 4.356 3.960 0.028 0.000 0.291 605 G HA3 0.379 4.356 3.960 0.028 0.000 0.291 605 G C 0.641 175.117 174.900 -0.706 0.000 1.211 605 G CA -0.544 44.241 45.100 -0.526 0.000 0.950 605 G HN 0.088 nan 8.290 nan 0.000 0.504 606 L N -0.633 120.154 121.223 -0.728 0.000 2.446 606 L HA 0.189 4.546 4.340 0.028 0.000 0.219 606 L C 0.708 176.992 176.870 -0.977 0.000 1.116 606 L CA 0.210 54.636 54.840 -0.690 0.000 0.844 606 L CB -0.170 41.624 42.059 -0.442 0.000 0.970 606 L HN 0.335 nan 8.230 nan 0.000 0.457 607 V N -4.270 114.920 119.914 -1.207 0.000 2.841 607 V HA 0.472 4.609 4.120 0.028 0.000 0.310 607 V C -0.256 175.348 176.094 -0.817 0.000 1.090 607 V CA -1.181 60.519 62.300 -1.000 0.000 0.930 607 V CB 1.626 32.933 31.823 -0.860 0.000 1.014 607 V HN -0.097 nan 8.190 nan 0.000 0.425 608 F N 2.590 122.337 119.950 -0.338 0.000 2.535 608 F HA 0.454 4.998 4.527 0.029 0.000 0.332 608 F C 1.980 177.683 175.800 -0.163 0.000 1.208 608 F CA 0.795 58.753 58.000 -0.070 0.000 1.330 608 F CB 0.817 39.835 39.000 0.030 0.000 1.167 608 F HN 0.812 nan 8.300 nan 0.000 0.597 609 A N 0.836 123.735 122.820 0.131 0.000 2.024 609 A HA -0.207 4.130 4.320 0.028 0.000 0.220 609 A C 1.612 179.176 177.584 -0.033 0.000 1.164 609 A CA 1.760 53.822 52.037 0.041 0.000 0.643 609 A CB -0.876 18.191 19.000 0.113 0.000 0.806 609 A HN 0.789 nan 8.150 nan 0.000 0.451 610 D N -3.060 117.336 120.400 -0.007 0.000 2.328 610 D HA 0.140 4.797 4.640 0.028 0.000 0.221 610 D C 0.692 176.969 176.300 -0.039 0.000 1.072 610 D CA -0.024 53.940 54.000 -0.060 0.000 0.850 610 D CB -0.019 40.746 40.800 -0.059 0.000 0.922 610 D HN 0.172 nan 8.370 nan 0.000 0.516 611 R N -1.939 118.536 120.500 -0.042 0.000 3.584 611 R HA -0.114 4.243 4.340 0.028 0.000 0.488 611 R C -0.326 175.959 176.300 -0.025 0.000 0.869 611 R CA 1.105 57.171 56.100 -0.056 0.000 1.325 611 R CB -3.128 27.171 30.300 -0.001 0.000 2.015 611 R HN 0.250 nan 8.270 nan 0.000 0.489 612 T N 2.882 117.468 114.554 0.053 0.000 2.870 612 T HA 0.354 4.721 4.350 0.028 0.000 0.300 612 T C -2.355 172.457 174.700 0.187 0.000 0.989 612 T CA -0.833 61.336 62.100 0.114 0.000 1.139 612 T CB 1.101 70.036 68.868 0.110 0.000 0.920 612 T HN -0.103 nan 8.240 nan 0.000 0.537 613 P HA 0.165 nan 4.420 nan 0.000 0.271 613 P C -0.068 177.292 177.300 0.100 0.000 1.218 613 P CA -0.151 62.954 63.100 0.008 0.000 0.780 613 P CB 0.428 32.133 31.700 0.008 0.000 0.901 614 H N 2.909 121.821 119.070 -0.264 0.000 2.509 614 H HA 0.149 4.722 4.556 0.028 0.000 0.359 614 H C -1.233 173.995 175.328 -0.166 0.000 1.253 614 H CA -2.035 53.821 56.048 -0.320 0.000 1.373 614 H CB 0.432 29.937 29.762 -0.428 0.000 1.555 614 H HN 0.318 nan 8.280 nan 0.000 0.586 615 P HA -0.121 nan 4.420 nan 0.000 0.219 615 P C 1.146 178.443 177.300 -0.006 0.000 1.150 615 P CA 1.302 64.391 63.100 -0.018 0.000 0.814 615 P CB -0.036 31.650 31.700 -0.024 0.000 0.787 616 A N -0.163 122.655 122.820 -0.003 0.000 2.024 616 A HA -0.183 4.153 4.320 0.028 0.000 0.220 616 A C 2.103 179.636 177.584 -0.083 0.000 1.164 616 A CA 1.261 53.266 52.037 -0.053 0.000 0.643 616 A CB -1.661 17.289 19.000 -0.083 0.000 0.806 616 A HN 0.155 nan 8.150 nan 0.000 0.451 617 L N -0.404 120.785 121.223 -0.057 0.000 2.043 617 L HA -0.177 4.180 4.340 0.028 0.000 0.212 617 L C 2.545 179.440 176.870 0.042 0.000 1.075 617 L CA 2.806 57.640 54.840 -0.010 0.000 0.752 617 L CB -1.003 41.051 42.059 -0.008 0.000 0.891 617 L HN 0.405 nan 8.230 nan 0.000 0.432 618 T N -1.762 112.827 114.554 0.058 0.000 2.821 618 T HA -0.202 4.165 4.350 0.028 0.000 0.267 618 T C 1.807 176.603 174.700 0.160 0.000 1.046 618 T CA 1.415 63.603 62.100 0.146 0.000 1.139 618 T CB -0.154 68.784 68.868 0.116 0.000 0.871 618 T HN 0.495 nan 8.240 nan 0.000 0.454 619 E N 0.989 121.228 120.200 0.066 0.000 2.058 619 E HA -0.008 4.359 4.350 0.028 0.000 0.194 619 E C 2.231 178.808 176.600 -0.038 0.000 0.997 619 E CA 1.586 58.026 56.400 0.066 0.000 0.801 619 E CB -0.746 28.959 29.700 0.009 0.000 0.746 619 E HN 0.537 nan 8.360 nan 0.000 0.450 620 A N 0.976 123.649 122.820 -0.245 0.000 1.908 620 A HA -0.264 4.073 4.320 0.028 0.000 0.218 620 A C 2.188 179.603 177.584 -0.281 0.000 1.181 620 A CA 2.048 53.846 52.037 -0.398 0.000 0.627 620 A CB -0.681 18.068 19.000 -0.418 0.000 0.818 620 A HN 0.279 nan 8.150 nan 0.000 0.445 621 K N -1.306 119.020 120.400 -0.125 0.000 2.032 621 K HA -0.289 4.048 4.320 0.028 0.000 0.209 621 K C 2.085 178.572 176.600 -0.188 0.000 1.048 621 K CA 2.010 58.246 56.287 -0.085 0.000 0.927 621 K CB -0.356 32.247 32.500 0.172 0.000 0.712 621 K HN 0.650 nan 8.250 nan 0.000 0.441 622 H N 0.546 119.451 119.070 -0.274 0.000 2.321 622 H HA -0.054 4.519 4.556 0.029 0.000 0.300 622 H C 1.957 177.017 175.328 -0.446 0.000 1.087 622 H CA 1.882 57.590 56.048 -0.568 0.000 1.319 622 H CB 0.032 29.545 29.762 -0.414 0.000 1.379 622 H HN 0.234 nan 8.280 nan 0.000 0.501 623 Q N 0.171 119.677 119.800 -0.489 0.000 2.291 623 Q HA -0.084 4.273 4.340 0.028 0.000 0.205 623 Q C 1.558 177.028 176.000 -0.884 0.000 0.970 623 Q CA 1.130 56.586 55.803 -0.580 0.000 0.876 623 Q CB 0.055 28.614 28.738 -0.299 0.000 0.935 623 Q HN 0.705 nan 8.270 nan 0.000 0.455 624 Q N 0.005 119.244 119.800 -0.934 0.000 2.280 624 Q HA 0.078 4.435 4.340 0.028 0.000 0.202 624 Q C -0.096 175.375 176.000 -0.882 0.000 0.903 624 Q CA -0.221 54.917 55.803 -1.107 0.000 0.948 624 Q CB 0.404 28.507 28.738 -1.058 0.000 1.058 624 Q HN 0.360 nan 8.270 nan 0.000 0.493 625 Q N -0.548 118.873 119.800 -0.631 0.000 2.428 625 Q HA -0.042 4.314 4.340 0.028 0.000 0.276 625 Q C -0.139 175.523 176.000 -0.563 0.000 1.059 625 Q CA 0.443 56.002 55.803 -0.406 0.000 0.923 625 Q CB 0.458 29.047 28.738 -0.248 0.000 1.283 625 Q HN 0.289 nan 8.270 nan 0.000 0.447 626 F N 0.037 119.775 119.950 -0.353 0.000 2.727 626 F HA 0.226 4.769 4.527 0.027 0.000 0.302 626 F C -0.171 175.073 175.800 -0.927 0.000 1.097 626 F CA -0.062 57.490 58.000 -0.746 0.000 1.330 626 F CB 0.473 38.721 39.000 -1.254 0.000 1.084 626 F HN 0.273 nan 8.300 nan 0.000 0.578 627 F N 0.524 120.400 119.950 -0.123 0.000 2.507 627 F HA 0.508 5.052 4.527 0.029 0.000 0.325 627 F C -0.134 175.335 175.800 -0.552 0.000 1.116 627 F CA -1.093 56.724 58.000 -0.305 0.000 0.930 627 F CB 1.321 40.169 39.000 -0.253 0.000 1.146 627 F HN -0.323 nan 8.300 nan 0.000 0.447 628 Q N 3.316 122.845 119.800 -0.452 0.000 2.309 628 Q HA 0.560 4.917 4.340 0.028 0.000 0.264 628 Q C -1.342 174.349 176.000 -0.514 0.000 1.008 628 Q CA -0.611 54.983 55.803 -0.348 0.000 0.853 628 Q CB 2.765 31.415 28.738 -0.147 0.000 1.314 628 Q HN 0.538 nan 8.270 nan 0.000 0.448 629 F N 0.582 120.658 119.950 0.210 0.000 2.551 629 F HA 0.596 5.140 4.527 0.029 0.000 0.316 629 F C 0.365 176.413 175.800 0.412 0.000 1.089 629 F CA -0.836 57.367 58.000 0.339 0.000 0.915 629 F CB 1.959 41.280 39.000 0.535 0.000 1.186 629 F HN 0.151 nan 8.300 nan 0.000 0.456 630 R N 1.752 122.556 120.500 0.506 0.000 2.744 630 R HA 0.744 5.100 4.340 0.028 0.000 0.279 630 R C -1.911 174.480 176.300 0.152 0.000 0.977 630 R CA -1.255 55.073 56.100 0.380 0.000 0.906 630 R CB 2.847 33.261 30.300 0.190 0.000 1.197 630 R HN 0.548 nan 8.270 nan 0.000 0.463 631 L N 0.687 121.884 121.223 -0.044 0.000 2.341 631 L HA 0.522 4.879 4.340 0.028 0.000 0.278 631 L C -0.906 175.820 176.870 -0.240 0.000 1.005 631 L CA 0.068 54.641 54.840 -0.446 0.000 0.818 631 L CB 2.131 43.466 42.059 -1.206 0.000 1.259 631 L HN 0.595 nan 8.230 nan 0.000 0.418 632 S N 4.281 119.860 115.700 -0.202 0.000 2.652 632 S HA 0.729 5.216 4.470 0.028 0.000 0.252 632 S C -0.004 174.511 174.600 -0.142 0.000 1.219 632 S CA 0.227 58.348 58.200 -0.133 0.000 1.151 632 S CB -0.174 62.983 63.200 -0.072 0.000 1.080 632 S HN 1.650 nan 8.310 nan 0.000 0.481 633 G N 4.460 113.171 108.800 -0.149 0.000 2.806 633 G HA2 -0.260 3.717 3.960 0.028 0.000 0.236 633 G HA3 -0.260 3.717 3.960 0.028 0.000 0.236 633 G C 0.283 175.067 174.900 -0.193 0.000 1.387 633 G CA 0.332 45.347 45.100 -0.142 0.000 0.884 633 G HN 1.208 nan 8.290 nan 0.000 0.560 634 Q N -0.645 119.042 119.800 -0.188 0.000 2.678 634 Q HA 0.091 4.448 4.340 0.028 0.000 0.218 634 Q C 0.963 176.822 176.000 -0.235 0.000 0.956 634 Q CA 1.691 57.352 55.803 -0.236 0.000 0.993 634 Q CB -1.477 27.134 28.738 -0.211 0.000 1.007 634 Q HN 0.800 nan 8.270 nan 0.000 0.605 635 T N 0.855 115.288 114.554 -0.202 0.000 2.743 635 T HA 0.614 4.981 4.350 0.028 0.000 0.292 635 T C 0.015 174.606 174.700 -0.181 0.000 0.972 635 T CA -0.608 61.396 62.100 -0.161 0.000 0.967 635 T CB 0.835 69.641 68.868 -0.104 0.000 0.926 635 T HN 0.213 nan 8.240 nan 0.000 0.459 636 I N 2.945 123.424 120.570 -0.151 0.000 2.321 636 I HA 0.267 4.454 4.170 0.028 0.000 0.291 636 I C 0.569 176.709 176.117 0.038 0.000 0.998 636 I CA -0.560 60.683 61.300 -0.095 0.000 1.227 636 I CB 1.218 39.188 38.000 -0.050 0.000 1.368 636 I HN 0.618 nan 8.210 nan 0.000 0.466 637 E N 6.913 127.165 120.200 0.087 0.000 2.109 637 E HA 0.414 4.781 4.350 0.028 0.000 0.278 637 E C -1.391 175.308 176.600 0.167 0.000 0.954 637 E CA -0.592 55.871 56.400 0.106 0.000 0.779 637 E CB 1.386 31.133 29.700 0.078 0.000 1.093 637 E HN 0.346 nan 8.360 nan 0.000 0.401 638 V N 3.740 123.740 119.914 0.142 0.000 2.532 638 V HA 0.407 4.543 4.120 0.028 0.000 0.295 638 V C 0.028 176.150 176.094 0.047 0.000 1.041 638 V CA -0.603 61.751 62.300 0.090 0.000 0.926 638 V CB 1.803 33.712 31.823 0.144 0.000 0.992 638 V HN 0.715 nan 8.190 nan 0.000 0.457 639 T N 2.579 117.116 114.554 -0.027 0.000 2.848 639 T HA 0.348 4.715 4.350 0.028 0.000 0.285 639 T C -0.271 174.422 174.700 -0.012 0.000 0.995 639 T CA -0.329 61.768 62.100 -0.004 0.000 0.970 639 T CB 1.647 70.490 68.868 -0.042 0.000 0.976 639 T HN 0.699 nan 8.240 nan 0.000 0.441 640 S N 1.540 117.241 115.700 0.001 0.000 2.537 640 S HA 0.232 4.719 4.470 0.028 0.000 0.275 640 S C 0.638 175.094 174.600 -0.241 0.000 1.272 640 S CA -0.531 57.575 58.200 -0.157 0.000 1.050 640 S CB 0.507 63.696 63.200 -0.019 0.000 0.961 640 S HN 0.708 nan 8.310 nan 0.000 0.496 641 E N 2.975 122.934 120.200 -0.402 0.000 2.499 641 E HA 0.120 4.487 4.350 0.028 0.000 0.199 641 E C -0.926 175.479 176.600 -0.324 0.000 1.016 641 E CA -0.105 56.103 56.400 -0.319 0.000 0.933 641 E CB 0.335 29.841 29.700 -0.323 0.000 1.050 641 E HN 0.652 nan 8.360 nan 0.000 0.462 642 Y N 0.252 120.422 120.300 -0.216 0.000 2.304 642 Y HA 0.102 4.669 4.550 0.028 0.000 0.327 642 Y C 1.332 177.043 175.900 -0.316 0.000 1.209 642 Y CA -0.163 57.804 58.100 -0.222 0.000 1.299 642 Y CB 0.915 39.236 38.460 -0.233 0.000 1.249 642 Y HN -0.015 nan 8.280 nan 0.000 0.519 643 L N 1.181 122.200 121.223 -0.340 0.000 2.556 643 L HA 0.121 4.477 4.340 0.028 0.000 0.226 643 L C 0.547 176.982 176.870 -0.725 0.000 1.089 643 L CA 0.478 54.908 54.840 -0.683 0.000 0.864 643 L CB 0.073 41.376 42.059 -1.259 0.000 1.067 643 L HN 0.651 nan 8.230 nan 0.000 0.477 644 F N -0.271 119.688 119.950 0.014 0.000 2.581 644 F HA 0.218 4.760 4.527 0.026 0.000 0.278 644 F C 1.321 177.093 175.800 -0.047 0.000 1.000 644 F CA -0.817 57.164 58.000 -0.032 0.000 1.230 644 F CB 0.281 39.250 39.000 -0.053 0.000 1.008 644 F HN -0.152 nan 8.300 nan 0.000 0.695 645 R N 0.503 121.031 120.500 0.047 0.000 2.573 645 R HA 0.392 4.749 4.340 0.028 0.000 0.272 645 R C -0.633 175.628 176.300 -0.064 0.000 1.009 645 R CA -0.591 55.486 56.100 -0.039 0.000 1.059 645 R CB 0.671 30.843 30.300 -0.214 0.000 1.112 645 R HN 0.102 nan 8.270 nan 0.000 0.517 646 H N 0.301 119.362 119.070 -0.015 0.000 2.508 646 H HA 0.089 4.662 4.556 0.028 0.000 0.358 646 H C 0.032 175.393 175.328 0.056 0.000 1.212 646 H CA -0.079 55.998 56.048 0.048 0.000 1.356 646 H CB 1.762 31.554 29.762 0.050 0.000 1.525 646 H HN 0.758 nan 8.280 nan 0.000 0.578 647 S N 0.948 116.804 115.700 0.259 0.000 3.530 647 S HA -0.034 4.453 4.470 0.028 0.000 0.279 647 S C 0.277 174.983 174.600 0.175 0.000 1.280 647 S CA -0.755 57.608 58.200 0.271 0.000 0.946 647 S CB -0.626 62.778 63.200 0.340 0.000 1.501 647 S HN 0.594 nan 8.310 nan 0.000 0.498 648 D N 1.019 121.494 120.400 0.124 0.000 2.395 648 D HA 0.103 4.760 4.640 0.028 0.000 0.226 648 D C 0.274 176.611 176.300 0.062 0.000 1.146 648 D CA -0.400 53.652 54.000 0.086 0.000 0.830 648 D CB -0.302 40.538 40.800 0.066 0.000 0.958 648 D HN 0.493 nan 8.370 nan 0.000 0.501 649 N N 0.106 118.852 118.700 0.077 0.000 2.581 649 N HA 0.115 4.872 4.740 0.028 0.000 0.274 649 N C -1.565 173.998 175.510 0.089 0.000 1.629 649 N CA -0.138 52.952 53.050 0.066 0.000 0.884 649 N CB 0.291 38.807 38.487 0.049 0.000 1.423 649 N HN 0.001 nan 8.380 nan 0.000 0.507 650 E N 0.114 120.362 120.200 0.081 0.000 2.321 650 E HA 0.497 4.864 4.350 0.028 0.000 0.278 650 E C -1.440 175.189 176.600 0.047 0.000 0.902 650 E CA -0.806 55.630 56.400 0.060 0.000 0.758 650 E CB 2.062 31.777 29.700 0.025 0.000 1.213 650 E HN 0.218 nan 8.360 nan 0.000 0.426 651 L N 0.503 121.761 121.223 0.058 0.000 2.371 651 L HA 0.716 5.073 4.340 0.028 0.000 0.262 651 L C -1.621 175.333 176.870 0.140 0.000 1.006 651 L CA -1.134 53.768 54.840 0.104 0.000 0.818 651 L CB 0.877 43.016 42.059 0.133 0.000 1.354 651 L HN 0.545 nan 8.230 nan 0.000 0.415 652 L N 2.828 124.162 121.223 0.185 0.000 2.264 652 L HA 0.601 4.958 4.340 0.028 0.000 0.289 652 L C -0.912 176.171 176.870 0.354 0.000 1.044 652 L CA 0.295 55.280 54.840 0.241 0.000 0.807 652 L CB 0.397 42.595 42.059 0.233 0.000 1.192 652 L HN 0.643 nan 8.230 nan 0.000 0.425 653 H N 5.272 124.411 119.070 0.115 0.000 2.488 653 H HA 0.450 5.023 4.556 0.028 0.000 0.322 653 H C -1.016 174.397 175.328 0.141 0.000 1.078 653 H CA -0.574 55.510 56.048 0.060 0.000 1.260 653 H CB 0.761 30.522 29.762 -0.001 0.000 1.425 653 H HN 0.642 nan 8.280 nan 0.000 0.471 654 W N 4.721 126.100 121.300 0.131 0.000 2.702 654 W HA 0.567 5.244 4.660 0.028 0.000 0.331 654 W C -1.438 175.128 176.519 0.077 0.000 1.049 654 W CA -1.432 55.975 57.345 0.104 0.000 1.230 654 W CB 1.092 30.598 29.460 0.076 0.000 1.408 654 W HN 0.618 nan 8.180 nan 0.000 0.492 655 M N 4.057 123.838 119.600 0.302 0.000 2.393 655 M HA 0.669 5.166 4.480 0.028 0.000 0.299 655 M C -2.422 174.089 176.300 0.351 0.000 1.103 655 M CA -0.532 54.853 55.300 0.142 0.000 0.910 655 M CB 2.310 34.924 32.600 0.024 0.000 1.659 655 M HN 0.136 nan 8.290 nan 0.000 0.445 656 V N 3.699 123.817 119.914 0.341 0.000 2.448 656 V HA 0.979 5.116 4.120 0.028 0.000 0.295 656 V C -0.370 175.844 176.094 0.201 0.000 1.025 656 V CA -0.259 62.226 62.300 0.308 0.000 0.859 656 V CB 1.124 33.134 31.823 0.311 0.000 0.988 656 V HN 1.065 nan 8.190 nan 0.000 0.431 657 A N 4.668 127.612 122.820 0.206 0.000 2.475 657 A HA 0.882 5.219 4.320 0.028 0.000 0.301 657 A C -1.440 176.260 177.584 0.192 0.000 1.059 657 A CA -0.637 51.488 52.037 0.146 0.000 0.710 657 A CB 1.746 20.795 19.000 0.082 0.000 1.288 657 A HN 0.829 nan 8.150 nan 0.000 0.408 658 L N 1.397 122.703 121.223 0.139 0.000 2.265 658 L HA 0.551 4.907 4.340 0.028 0.000 0.289 658 L C -0.542 176.426 176.870 0.164 0.000 1.033 658 L CA 0.297 55.230 54.840 0.155 0.000 0.814 658 L CB 0.280 42.398 42.059 0.100 0.000 1.203 658 L HN 0.767 nan 8.230 nan 0.000 0.423 659 D N 4.837 125.398 120.400 0.268 0.000 2.720 659 D HA -0.194 4.463 4.640 0.028 0.000 0.229 659 D C 1.251 177.621 176.300 0.116 0.000 1.198 659 D CA 1.612 55.774 54.000 0.270 0.000 0.639 659 D CB -1.086 39.827 40.800 0.189 0.000 1.003 659 D HN 1.177 nan 8.370 nan 0.000 0.411 660 G N -0.849 107.993 108.800 0.071 0.000 2.212 660 G HA2 -0.406 3.570 3.960 0.028 0.000 0.266 660 G HA3 -0.406 3.570 3.960 0.028 0.000 0.266 660 G C 0.348 175.190 174.900 -0.096 0.000 0.978 660 G CA 0.621 45.646 45.100 -0.124 0.000 0.632 660 G HN 0.506 nan 8.290 nan 0.000 0.537 661 K N 1.845 122.234 120.400 -0.018 0.000 2.262 661 K HA 0.476 4.812 4.320 0.028 0.000 0.282 661 K C -2.522 174.078 176.600 -0.000 0.000 1.066 661 K CA -1.949 54.325 56.287 -0.021 0.000 0.901 661 K CB 1.477 33.976 32.500 -0.003 0.000 1.089 661 K HN 0.010 nan 8.250 nan 0.000 0.476 662 P HA -0.076 nan 4.420 nan 0.000 0.261 662 P C 0.018 177.321 177.300 0.005 0.000 1.203 662 P CA 0.139 63.229 63.100 -0.017 0.000 0.767 662 P CB 0.576 32.244 31.700 -0.052 0.000 0.785 663 L N 2.490 123.736 121.223 0.038 0.000 2.286 663 L HA 0.406 4.763 4.340 0.028 0.000 0.203 663 L C 0.739 177.641 176.870 0.054 0.000 1.068 663 L CA 0.951 55.823 54.840 0.055 0.000 0.811 663 L CB -0.106 42.008 42.059 0.090 0.000 0.989 663 L HN 0.376 nan 8.230 nan 0.000 0.467 664 A N -1.256 121.598 122.820 0.057 0.000 2.590 664 A HA 0.567 4.904 4.320 0.028 0.000 0.294 664 A C -0.869 176.583 177.584 -0.220 0.000 1.046 664 A CA -0.208 51.834 52.037 0.007 0.000 0.684 664 A CB 1.093 20.228 19.000 0.226 0.000 1.279 664 A HN 0.118 nan 8.150 nan 0.000 0.415 665 S N -0.535 114.790 115.700 -0.625 0.000 2.685 665 S HA 1.021 5.508 4.470 0.028 0.000 0.282 665 S C -0.064 173.631 174.600 -1.508 0.000 1.159 665 S CA -0.428 57.078 58.200 -1.157 0.000 0.833 665 S CB 1.676 64.536 63.200 -0.567 0.000 1.151 665 S HN 2.490 nan 8.310 nan 0.000 0.485 666 G N -0.355 107.455 108.800 -1.650 0.000 2.489 666 G HA2 0.553 4.529 3.960 0.028 0.000 0.291 666 G HA3 0.553 4.529 3.960 0.028 0.000 0.291 666 G C -2.386 172.122 174.900 -0.653 0.000 1.487 666 G CA -0.736 43.804 45.100 -0.934 0.000 0.795 666 G HN 0.638 nan 8.290 nan 0.000 0.513 667 E N -0.934 119.102 120.200 -0.274 0.000 2.266 667 E HA 0.648 5.015 4.350 0.028 0.000 0.268 667 E C -1.194 175.447 176.600 0.069 0.000 0.879 667 E CA -0.855 55.459 56.400 -0.143 0.000 0.762 667 E CB 3.115 32.663 29.700 -0.253 0.000 1.199 667 E HN 0.312 nan 8.360 nan 0.000 0.422 668 V N 3.342 123.346 119.914 0.151 0.000 2.686 668 V HA 0.368 4.504 4.120 0.028 0.000 0.306 668 V C -2.445 173.726 176.094 0.130 0.000 1.065 668 V CA -1.976 60.413 62.300 0.149 0.000 0.894 668 V CB 1.972 33.911 31.823 0.193 0.000 1.004 668 V HN 0.579 nan 8.190 nan 0.000 0.424 669 P HA 0.321 nan 4.420 nan 0.000 0.275 669 P C -0.892 176.461 177.300 0.088 0.000 1.228 669 P CA -0.175 62.978 63.100 0.090 0.000 0.786 669 P CB 0.887 32.631 31.700 0.073 0.000 0.927 670 L N 2.702 123.970 121.223 0.075 0.000 2.282 670 L HA 0.369 4.725 4.340 0.028 0.000 0.288 670 L C 0.199 177.126 176.870 0.096 0.000 1.033 670 L CA -0.098 54.782 54.840 0.066 0.000 0.807 670 L CB 1.161 43.214 42.059 -0.010 0.000 1.209 670 L HN 0.311 nan 8.230 nan 0.000 0.423 671 D N 3.634 124.105 120.400 0.118 0.000 2.405 671 D HA 0.333 4.990 4.640 0.028 0.000 0.264 671 D C -1.356 175.058 176.300 0.190 0.000 1.240 671 D CA -0.132 53.960 54.000 0.153 0.000 0.893 671 D CB 1.217 42.086 40.800 0.116 0.000 1.198 671 D HN 0.042 nan 8.370 nan 0.000 0.514 672 V N 1.872 121.921 119.914 0.226 0.000 2.483 672 V HA 0.790 4.926 4.120 0.028 0.000 0.297 672 V C 0.776 176.912 176.094 0.070 0.000 1.027 672 V CA -1.169 61.245 62.300 0.190 0.000 0.855 672 V CB 1.272 33.249 31.823 0.257 0.000 0.995 672 V HN 0.573 nan 8.190 nan 0.000 0.424 673 A N 7.061 129.823 122.820 -0.098 0.000 2.346 673 A HA 0.718 5.054 4.320 0.028 0.000 0.252 673 A C -2.321 175.076 177.584 -0.312 0.000 1.089 673 A CA -1.319 50.338 52.037 -0.633 0.000 0.797 673 A CB -0.143 18.688 19.000 -0.282 0.000 1.047 673 A HN 0.657 nan 8.150 nan 0.000 0.494 674 P HA 0.075 nan 4.420 nan 0.000 0.268 674 P C -0.494 176.732 177.300 -0.124 0.000 1.204 674 P CA 0.443 63.453 63.100 -0.150 0.000 0.768 674 P CB 0.612 32.227 31.700 -0.141 0.000 0.842 675 Q N -1.242 118.494 119.800 -0.106 0.000 2.284 675 Q HA -0.172 4.185 4.340 0.028 0.000 0.205 675 Q C 0.730 176.697 176.000 -0.055 0.000 0.682 675 Q CA 1.869 57.618 55.803 -0.090 0.000 1.401 675 Q CB -2.696 25.988 28.738 -0.090 0.000 1.643 675 Q HN 0.753 nan 8.270 nan 0.000 0.717 676 G N 0.245 109.021 108.800 -0.040 0.000 2.535 676 G HA2 0.531 4.508 3.960 0.028 0.000 0.303 676 G HA3 0.531 4.508 3.960 0.028 0.000 0.303 676 G C -0.245 174.669 174.900 0.025 0.000 1.237 676 G CA -0.652 44.446 45.100 -0.004 0.000 0.986 676 G HN 0.004 nan 8.290 nan 0.000 0.494 677 K N -0.497 119.926 120.400 0.038 0.000 2.208 677 K HA 0.483 4.820 4.320 0.028 0.000 0.247 677 K C -0.822 175.819 176.600 0.069 0.000 0.953 677 K CA -0.594 55.723 56.287 0.051 0.000 0.837 677 K CB 2.317 34.840 32.500 0.038 0.000 1.131 677 K HN 0.499 nan 8.250 nan 0.000 0.431 678 Q N 2.317 122.165 119.800 0.079 0.000 2.274 678 Q HA 0.326 4.682 4.340 0.028 0.000 0.268 678 Q C -1.690 174.354 176.000 0.073 0.000 1.015 678 Q CA -0.518 55.335 55.803 0.082 0.000 0.775 678 Q CB 1.368 30.168 28.738 0.103 0.000 1.256 678 Q HN 0.521 nan 8.270 nan 0.000 0.442 679 L N 5.551 126.806 121.223 0.052 0.000 2.255 679 L HA 0.487 4.844 4.340 0.028 0.000 0.289 679 L C -0.578 176.308 176.870 0.026 0.000 1.046 679 L CA -0.379 54.482 54.840 0.034 0.000 0.816 679 L CB 0.903 42.971 42.059 0.017 0.000 1.197 679 L HN 0.580 nan 8.230 nan 0.000 0.427 680 I N 3.437 124.018 120.570 0.019 0.000 2.339 680 I HA 0.248 4.435 4.170 0.028 0.000 0.290 680 I C 0.119 176.201 176.117 -0.059 0.000 0.994 680 I CA -0.266 61.035 61.300 0.003 0.000 1.191 680 I CB 1.729 39.749 38.000 0.034 0.000 1.343 680 I HN 0.576 nan 8.210 nan 0.000 0.458 681 E N 6.745 126.906 120.200 -0.065 0.000 2.175 681 E HA 0.489 4.855 4.350 0.028 0.000 0.278 681 E C -1.120 175.373 176.600 -0.178 0.000 0.969 681 E CA -0.697 55.635 56.400 -0.113 0.000 0.796 681 E CB 1.246 30.898 29.700 -0.081 0.000 1.104 681 E HN 0.474 nan 8.360 nan 0.000 0.395 682 L N 5.404 126.462 121.223 -0.275 0.000 2.399 682 L HA 0.415 4.772 4.340 0.028 0.000 0.266 682 L C -1.954 174.760 176.870 -0.261 0.000 1.114 682 L CA -2.020 52.571 54.840 -0.416 0.000 0.804 682 L CB 0.478 42.108 42.059 -0.715 0.000 1.146 682 L HN 0.466 nan 8.230 nan 0.000 0.451 683 P HA 0.019 nan 4.420 nan 0.000 0.274 683 P C -0.743 176.495 177.300 -0.104 0.000 1.237 683 P CA -0.509 62.534 63.100 -0.095 0.000 0.793 683 P CB 0.416 32.122 31.700 0.011 0.000 0.977 684 E N 2.190 122.358 120.200 -0.053 0.000 2.493 684 E HA -0.031 4.335 4.350 0.028 0.000 0.255 684 E C -1.132 175.457 176.600 -0.018 0.000 0.999 684 E CA 0.233 56.608 56.400 -0.043 0.000 0.934 684 E CB -0.070 29.616 29.700 -0.024 0.000 0.940 684 E HN 0.285 nan 8.360 nan 0.000 0.473 685 L N 7.793 128.999 121.223 -0.029 0.000 2.275 685 L HA 0.303 4.659 4.340 0.028 0.000 0.288 685 L C -1.820 175.061 176.870 0.019 0.000 1.046 685 L CA -1.852 52.996 54.840 0.013 0.000 0.805 685 L CB 1.148 43.216 42.059 0.016 0.000 1.193 685 L HN 0.511 nan 8.230 nan 0.000 0.426 686 P HA 0.024 nan 4.420 nan 0.000 0.265 686 P C -0.762 176.555 177.300 0.028 0.000 1.193 686 P CA -0.233 62.885 63.100 0.031 0.000 0.765 686 P CB 0.473 32.197 31.700 0.041 0.000 0.823 687 Q N 3.265 123.076 119.800 0.018 0.000 2.535 687 Q HA 0.279 4.635 4.340 0.028 0.000 0.228 687 Q C -1.732 174.282 176.000 0.023 0.000 1.062 687 Q CA -1.005 54.807 55.803 0.016 0.000 0.967 687 Q CB -0.265 28.478 28.738 0.008 0.000 1.273 687 Q HN 0.468 nan 8.270 nan 0.000 0.554 688 P HA 0.126 nan 4.420 nan 0.000 0.287 688 P C -0.739 176.576 177.300 0.025 0.000 1.279 688 P CA -0.432 62.686 63.100 0.030 0.000 0.867 688 P CB 0.909 32.631 31.700 0.037 0.000 1.127 689 E N 0.017 120.233 120.200 0.026 0.000 2.515 689 E HA 0.010 4.377 4.350 0.028 0.000 0.201 689 E C 0.508 177.123 176.600 0.025 0.000 1.071 689 E CA 0.634 57.048 56.400 0.023 0.000 0.880 689 E CB -0.048 29.665 29.700 0.021 0.000 0.828 689 E HN 0.588 nan 8.360 nan 0.000 0.540 690 S N -1.064 114.652 115.700 0.028 0.000 3.102 690 S HA 0.403 4.890 4.470 0.028 0.000 0.292 690 S C -0.892 173.727 174.600 0.032 0.000 1.249 690 S CA -0.498 57.720 58.200 0.029 0.000 1.397 690 S CB 0.497 63.717 63.200 0.032 0.000 1.421 690 S HN 0.118 nan 8.310 nan 0.000 0.410 691 A N 0.237 123.079 122.820 0.036 0.000 2.340 691 A HA 0.893 5.230 4.320 0.028 0.000 0.268 691 A C 0.811 178.426 177.584 0.052 0.000 1.100 691 A CA 0.283 52.343 52.037 0.039 0.000 0.803 691 A CB -0.122 18.902 19.000 0.040 0.000 1.043 691 A HN 2.528 nan 8.150 nan 0.000 0.488 692 G N -0.141 108.689 108.800 0.050 0.000 2.369 692 G HA2 0.444 4.421 3.960 0.028 0.000 0.307 692 G HA3 0.444 4.421 3.960 0.028 0.000 0.307 692 G C -1.203 173.727 174.900 0.049 0.000 1.327 692 G CA -0.270 44.871 45.100 0.069 0.000 0.963 692 G HN 1.185 nan 8.290 nan 0.000 0.590 693 Q N -0.124 119.722 119.800 0.076 0.000 2.307 693 Q HA 0.723 5.080 4.340 0.028 0.000 0.262 693 Q C -0.416 175.610 176.000 0.043 0.000 0.961 693 Q CA -0.588 55.211 55.803 -0.006 0.000 0.882 693 Q CB 1.257 29.955 28.738 -0.067 0.000 1.264 693 Q HN 0.582 nan 8.270 nan 0.000 0.446 694 L N 4.340 125.535 121.223 -0.046 0.000 2.349 694 L HA 0.451 4.808 4.340 0.028 0.000 0.275 694 L C -0.791 176.055 176.870 -0.040 0.000 1.115 694 L CA -0.354 54.509 54.840 0.037 0.000 0.820 694 L CB 0.685 42.756 42.059 0.020 0.000 1.135 694 L HN 0.699 nan 8.230 nan 0.000 0.445 695 W N 4.411 125.757 121.300 0.077 0.000 2.739 695 W HA 0.479 5.156 4.660 0.028 0.000 0.331 695 W C -0.768 175.847 176.519 0.160 0.000 1.049 695 W CA -0.517 56.894 57.345 0.110 0.000 1.234 695 W CB 1.691 31.223 29.460 0.120 0.000 1.404 695 W HN 0.136 nan 8.180 nan 0.000 0.477 696 L N 3.719 125.216 121.223 0.458 0.000 2.295 696 L HA 0.759 5.116 4.340 0.028 0.000 0.285 696 L C -0.286 176.882 176.870 0.496 0.000 1.035 696 L CA 0.230 55.327 54.840 0.427 0.000 0.806 696 L CB 1.275 43.536 42.059 0.336 0.000 1.214 696 L HN 0.317 nan 8.230 nan 0.000 0.426 697 T N 5.204 119.997 114.554 0.399 0.000 2.841 697 T HA 0.615 4.981 4.350 0.028 0.000 0.285 697 T C -0.712 174.171 174.700 0.305 0.000 0.991 697 T CA -0.454 61.835 62.100 0.315 0.000 0.966 697 T CB 1.395 70.386 68.868 0.206 0.000 0.962 697 T HN 0.606 nan 8.240 nan 0.000 0.438 698 V N 1.822 121.890 119.914 0.256 0.000 2.715 698 V HA 0.850 4.987 4.120 0.028 0.000 0.310 698 V C -0.683 175.487 176.094 0.126 0.000 1.054 698 V CA -1.121 61.296 62.300 0.195 0.000 0.928 698 V CB 1.837 33.745 31.823 0.141 0.000 1.007 698 V HN 0.813 nan 8.190 nan 0.000 0.437 699 R N 2.392 122.988 120.500 0.159 0.000 2.673 699 R HA 0.774 5.131 4.340 0.028 0.000 0.281 699 R C -1.615 174.771 176.300 0.143 0.000 0.991 699 R CA -0.732 55.469 56.100 0.169 0.000 0.896 699 R CB 2.693 33.047 30.300 0.090 0.000 1.201 699 R HN 0.696 nan 8.270 nan 0.000 0.457 700 V N 3.502 123.530 119.914 0.189 0.000 2.394 700 V HA 0.404 4.540 4.120 0.028 0.000 0.282 700 V C -0.294 175.836 176.094 0.060 0.000 1.031 700 V CA -0.593 61.781 62.300 0.122 0.000 0.881 700 V CB 1.697 33.596 31.823 0.127 0.000 0.982 700 V HN 0.433 nan 8.190 nan 0.000 0.451 701 V N 5.214 125.115 119.914 -0.022 0.000 2.680 701 V HA 0.436 4.572 4.120 0.028 0.000 0.309 701 V C -0.400 175.707 176.094 0.021 0.000 1.052 701 V CA -0.796 61.465 62.300 -0.064 0.000 0.908 701 V CB 2.051 33.715 31.823 -0.266 0.000 1.001 701 V HN 0.931 nan 8.190 nan 0.000 0.431 702 Q N 5.459 125.296 119.800 0.061 0.000 2.368 702 Q HA 0.308 4.664 4.340 0.028 0.000 0.256 702 Q C -1.929 174.092 176.000 0.036 0.000 0.980 702 Q CA -1.820 54.028 55.803 0.076 0.000 0.887 702 Q CB 1.843 30.648 28.738 0.111 0.000 1.221 702 Q HN 0.454 nan 8.270 nan 0.000 0.458 703 P HA -0.149 nan 4.420 nan 0.000 0.221 703 P C -0.515 176.789 177.300 0.007 0.000 1.150 703 P CA 0.972 64.088 63.100 0.026 0.000 0.800 703 P CB 0.401 32.125 31.700 0.041 0.000 0.787 704 N N -0.624 118.073 118.700 -0.005 0.000 2.417 704 N HA 0.472 5.228 4.740 0.028 0.000 0.300 704 N C -0.320 175.145 175.510 -0.074 0.000 1.102 704 N CA -0.729 52.303 53.050 -0.030 0.000 0.886 704 N CB 1.051 39.522 38.487 -0.026 0.000 1.203 704 N HN -0.066 nan 8.380 nan 0.000 0.496 705 A N 0.535 123.304 122.820 -0.085 0.000 2.406 705 A HA 0.429 4.766 4.320 0.028 0.000 0.243 705 A C 0.541 178.004 177.584 -0.203 0.000 1.082 705 A CA 0.052 52.004 52.037 -0.143 0.000 0.786 705 A CB -0.082 18.858 19.000 -0.101 0.000 1.029 705 A HN 0.704 nan 8.150 nan 0.000 0.495 706 T N -3.034 111.310 114.554 -0.351 0.000 2.773 706 T HA 0.633 4.999 4.350 0.028 0.000 0.278 706 T C 1.004 175.519 174.700 -0.309 0.000 1.011 706 T CA 0.023 61.886 62.100 -0.394 0.000 1.014 706 T CB 1.126 69.508 68.868 -0.809 0.000 1.293 706 T HN 1.372 nan 8.240 nan 0.000 0.554 707 A N -0.009 122.714 122.820 -0.161 0.000 2.070 707 A HA 0.090 4.427 4.320 0.028 0.000 0.220 707 A C 1.548 179.241 177.584 0.182 0.000 1.159 707 A CA 1.149 53.215 52.037 0.048 0.000 0.656 707 A CB -0.842 18.231 19.000 0.121 0.000 0.800 707 A HN 0.929 nan 8.150 nan 0.000 0.453 708 W N -0.597 120.773 121.300 0.116 0.000 2.467 708 W HA 0.478 5.155 4.660 0.029 0.000 0.369 708 W C -0.323 176.169 176.519 -0.044 0.000 0.938 708 W CA 0.332 57.720 57.345 0.071 0.000 1.845 708 W CB -1.086 28.417 29.460 0.072 0.000 1.167 708 W HN 0.415 nan 8.180 nan 0.000 0.558 709 S N -0.227 114.976 115.700 -0.829 0.000 2.550 709 S HA 0.439 4.926 4.470 0.028 0.000 0.270 709 S C -0.952 173.416 174.600 -0.387 0.000 1.145 709 S CA -0.703 57.076 58.200 -0.703 0.000 0.852 709 S CB 2.598 65.073 63.200 -1.209 0.000 1.119 709 S HN 0.139 nan 8.310 nan 0.000 0.465 710 E N 0.866 120.955 120.200 -0.186 0.000 2.349 710 E HA 0.563 4.930 4.350 0.028 0.000 0.262 710 E C 0.374 176.938 176.600 -0.060 0.000 1.088 710 E CA -0.706 55.642 56.400 -0.087 0.000 0.899 710 E CB 0.988 30.679 29.700 -0.014 0.000 1.044 710 E HN 0.875 nan 8.360 nan 0.000 0.420 711 A N 0.942 123.736 122.820 -0.043 0.000 2.531 711 A HA 0.373 4.709 4.320 0.028 0.000 0.236 711 A C 1.208 178.797 177.584 0.008 0.000 1.062 711 A CA 0.750 52.774 52.037 -0.021 0.000 0.760 711 A CB -0.435 18.556 19.000 -0.015 0.000 0.995 711 A HN 0.823 nan 8.150 nan 0.000 0.501 712 G N 0.305 109.115 108.800 0.016 0.000 2.217 712 G HA2 -0.252 3.725 3.960 0.028 0.000 0.246 712 G HA3 -0.252 3.725 3.960 0.028 0.000 0.246 712 G C 0.332 175.245 174.900 0.021 0.000 0.990 712 G CA 0.697 45.802 45.100 0.008 0.000 0.627 712 G HN 1.807 nan 8.290 nan 0.000 0.522 713 H N 0.898 119.956 119.070 -0.019 0.000 3.173 713 H HA 0.320 4.892 4.556 0.028 0.000 0.311 713 H C 0.680 176.050 175.328 0.069 0.000 0.972 713 H CA 0.783 56.845 56.048 0.024 0.000 1.384 713 H CB 0.078 29.841 29.762 0.001 0.000 1.349 713 H HN 0.357 nan 8.280 nan 0.000 0.582 714 I N 4.541 124.830 120.570 -0.468 0.000 2.315 714 I HA 0.051 4.238 4.170 0.028 0.000 0.291 714 I C 0.897 176.847 176.117 -0.278 0.000 1.006 714 I CA 0.115 61.269 61.300 -0.245 0.000 1.265 714 I CB 1.494 39.428 38.000 -0.110 0.000 1.387 714 I HN 0.783 nan 8.210 nan 0.000 0.475 715 S N 4.130 119.870 115.700 0.066 0.000 2.512 715 S HA 0.573 5.059 4.470 0.028 0.000 0.216 715 S C 0.387 175.224 174.600 0.394 0.000 1.006 715 S CA -0.080 58.298 58.200 0.295 0.000 0.915 715 S CB 0.600 64.094 63.200 0.490 0.000 0.824 715 S HN 0.673 nan 8.310 nan 0.000 0.497 716 A N 0.663 123.737 122.820 0.424 0.000 2.589 716 A HA 0.677 5.014 4.320 0.028 0.000 0.296 716 A C -1.554 176.330 177.584 0.500 0.000 1.062 716 A CA -0.947 51.332 52.037 0.402 0.000 0.686 716 A CB 0.576 19.901 19.000 0.542 0.000 1.282 716 A HN 0.865 nan 8.150 nan 0.000 0.404 717 W N 0.317 121.764 121.300 0.245 0.000 3.025 717 W HA 0.846 5.524 4.660 0.029 0.000 0.343 717 W C -1.108 175.416 176.519 0.008 0.000 1.246 717 W CA -0.731 56.647 57.345 0.054 0.000 1.178 717 W CB 1.236 30.703 29.460 0.011 0.000 1.463 717 W HN 0.950 nan 8.180 nan 0.000 0.578 718 Q N 0.877 120.690 119.800 0.022 0.000 2.594 718 Q HA 0.415 4.772 4.340 0.028 0.000 0.278 718 Q C -1.609 174.256 176.000 -0.225 0.000 0.961 718 Q CA -0.460 55.205 55.803 -0.229 0.000 0.844 718 Q CB 2.275 30.642 28.738 -0.618 0.000 1.475 718 Q HN 0.656 nan 8.270 nan 0.000 0.389 719 Q N 1.071 120.685 119.800 -0.310 0.000 2.495 719 Q HA 0.689 5.045 4.340 0.028 0.000 0.287 719 Q C -1.136 174.768 176.000 -0.161 0.000 1.078 719 Q CA -0.732 55.068 55.803 -0.004 0.000 0.793 719 Q CB 2.486 31.379 28.738 0.258 0.000 1.459 719 Q HN 0.613 nan 8.270 nan 0.000 0.422 720 W N 0.427 121.885 121.300 0.263 0.000 3.118 720 W HA 0.455 5.131 4.660 0.028 0.000 0.328 720 W C -0.603 175.865 176.519 -0.084 0.000 1.239 720 W CA -0.683 56.723 57.345 0.101 0.000 1.176 720 W CB 1.773 31.252 29.460 0.033 0.000 1.433 720 W HN 0.416 nan 8.180 nan 0.000 0.562 721 R N 1.645 122.047 120.500 -0.163 0.000 2.265 721 R HA 0.456 4.812 4.340 0.028 0.000 0.314 721 R C 0.579 176.711 176.300 -0.279 0.000 1.053 721 R CA -0.227 55.481 56.100 -0.653 0.000 0.931 721 R CB 1.239 31.058 30.300 -0.801 0.000 1.024 721 R HN 0.259 nan 8.270 nan 0.000 0.457 722 L N 1.341 122.414 121.223 -0.250 0.000 2.718 722 L HA 0.520 4.877 4.340 0.028 0.000 0.166 722 L C 0.771 177.552 176.870 -0.148 0.000 1.893 722 L CA -0.842 53.917 54.840 -0.135 0.000 2.845 722 L CB -0.174 41.844 42.059 -0.068 0.000 2.993 722 L HN 0.589 nan 8.230 nan 0.000 0.684 723 A N 0.168 122.929 122.820 -0.099 0.000 2.366 723 A HA 0.307 4.643 4.320 0.028 0.000 0.249 723 A C -0.376 177.151 177.584 -0.096 0.000 1.084 723 A CA 0.068 52.053 52.037 -0.087 0.000 0.794 723 A CB 0.429 19.397 19.000 -0.053 0.000 1.034 723 A HN 0.614 nan 8.150 nan 0.000 0.491 724 E N 0.679 120.830 120.200 -0.081 0.000 2.266 724 E HA 0.390 4.757 4.350 0.028 0.000 0.268 724 E C -1.533 175.049 176.600 -0.030 0.000 0.879 724 E CA -0.760 55.601 56.400 -0.065 0.000 0.762 724 E CB 1.141 30.792 29.700 -0.083 0.000 1.199 724 E HN 0.668 nan 8.360 nan 0.000 0.422 725 N N 4.958 123.653 118.700 -0.009 0.000 2.531 725 N HA 0.262 5.019 4.740 0.028 0.000 0.268 725 N C -0.775 174.743 175.510 0.014 0.000 1.023 725 N CA -0.407 52.645 53.050 0.003 0.000 0.896 725 N CB 1.306 39.799 38.487 0.009 0.000 1.233 725 N HN 0.443 nan 8.380 nan 0.000 0.512 726 L N 0.773 122.004 121.223 0.013 0.000 2.426 726 L HA 0.160 4.516 4.340 0.028 0.000 0.271 726 L C 1.317 178.204 176.870 0.028 0.000 1.169 726 L CA 0.038 54.892 54.840 0.023 0.000 0.836 726 L CB 0.509 42.581 42.059 0.022 0.000 1.112 726 L HN 0.341 nan 8.230 nan 0.000 0.465 727 S N 1.178 116.900 115.700 0.037 0.000 2.510 727 S HA 0.208 4.695 4.470 0.028 0.000 0.279 727 S C 0.626 175.246 174.600 0.033 0.000 1.284 727 S CA -0.687 57.535 58.200 0.036 0.000 1.059 727 S CB 0.744 63.970 63.200 0.043 0.000 0.901 727 S HN 0.495 nan 8.310 nan 0.000 0.491 728 V N 2.358 122.289 119.914 0.028 0.000 3.276 728 V HA 0.366 4.503 4.120 0.028 0.000 0.319 728 V C 0.577 176.686 176.094 0.024 0.000 1.427 728 V CA 0.036 62.350 62.300 0.025 0.000 1.102 728 V CB -0.342 31.493 31.823 0.020 0.000 1.020 728 V HN 0.816 nan 8.190 nan 0.000 0.456 729 T N 1.541 116.111 114.554 0.027 0.000 2.743 729 T HA 0.624 4.991 4.350 0.028 0.000 0.293 729 T C 0.009 174.725 174.700 0.027 0.000 0.945 729 T CA -0.563 61.553 62.100 0.025 0.000 1.030 729 T CB 0.888 69.772 68.868 0.025 0.000 0.912 729 T HN 0.485 nan 8.240 nan 0.000 0.483 730 L N 3.661 124.898 121.223 0.023 0.000 2.513 730 L HA 0.338 4.695 4.340 0.028 0.000 0.272 730 L C -1.922 174.960 176.870 0.021 0.000 1.187 730 L CA -1.713 53.139 54.840 0.021 0.000 0.895 730 L CB -1.028 41.041 42.059 0.017 0.000 1.147 730 L HN 0.444 nan 8.230 nan 0.000 0.483 731 P HA 0.223 nan 4.420 nan 0.000 0.281 731 P C -0.262 177.041 177.300 0.006 0.000 1.252 731 P CA -0.356 62.753 63.100 0.016 0.000 0.778 731 P CB 1.168 32.878 31.700 0.017 0.000 0.895 732 A N 3.356 126.181 122.820 0.008 0.000 2.524 732 A HA 0.310 4.647 4.320 0.028 0.000 0.271 732 A C 0.885 178.439 177.584 -0.050 0.000 1.097 732 A CA 0.070 52.108 52.037 0.002 0.000 0.791 732 A CB -0.957 18.058 19.000 0.024 0.000 1.028 732 A HN 0.643 nan 8.150 nan 0.000 0.518 733 A N 4.312 127.102 122.820 -0.049 0.000 2.496 733 A HA 0.407 4.743 4.320 0.028 0.000 0.278 733 A C 1.092 178.536 177.584 -0.235 0.000 1.137 733 A CA 0.601 52.584 52.037 -0.089 0.000 0.805 733 A CB -0.480 18.496 19.000 -0.040 0.000 1.077 733 A HN 1.225 nan 8.150 nan 0.000 0.513 734 S N 1.105 116.629 115.700 -0.294 0.000 2.540 734 S HA -0.044 4.443 4.470 0.028 0.000 0.272 734 S C 1.154 175.464 174.600 -0.483 0.000 1.357 734 S CA 0.651 58.526 58.200 -0.541 0.000 1.011 734 S CB 0.040 63.074 63.200 -0.276 0.000 0.852 734 S HN 0.807 nan 8.310 nan 0.000 0.535 735 H N 0.734 119.818 119.070 0.023 0.000 2.562 735 H HA 0.503 5.076 4.556 0.028 0.000 0.267 735 H C 0.680 176.021 175.328 0.022 0.000 0.959 735 H CA 0.472 56.531 56.048 0.020 0.000 1.204 735 H CB 0.005 29.777 29.762 0.017 0.000 1.430 735 H HN 0.511 nan 8.280 nan 0.000 0.545 736 A N 1.230 124.087 122.820 0.061 0.000 2.269 736 A HA 0.674 5.010 4.320 0.028 0.000 0.327 736 A C -0.653 176.951 177.584 0.032 0.000 1.112 736 A CA -0.632 51.439 52.037 0.056 0.000 0.865 736 A CB 0.796 19.838 19.000 0.070 0.000 1.227 736 A HN 0.238 nan 8.150 nan 0.000 0.498 737 I N 1.383 121.982 120.570 0.048 0.000 2.512 737 I HA 0.309 4.496 4.170 0.028 0.000 0.287 737 I C -2.385 173.774 176.117 0.070 0.000 1.069 737 I CA -1.863 59.462 61.300 0.042 0.000 1.056 737 I CB 2.269 40.289 38.000 0.033 0.000 1.229 737 I HN 0.461 nan 8.210 nan 0.000 0.429 738 P HA -0.033 nan 4.420 nan 0.000 0.265 738 P C -0.853 176.503 177.300 0.092 0.000 1.193 738 P CA 0.374 63.516 63.100 0.069 0.000 0.765 738 P CB 0.603 32.288 31.700 -0.025 0.000 0.823 739 H N 2.704 121.800 119.070 0.042 0.000 2.467 739 H HA 0.337 4.910 4.556 0.028 0.000 0.326 739 H C -0.639 174.714 175.328 0.042 0.000 1.094 739 H CA -0.864 55.204 56.048 0.033 0.000 1.253 739 H CB 1.378 31.162 29.762 0.035 0.000 1.439 739 H HN 0.271 nan 8.280 nan 0.000 0.479 740 L N 4.290 125.197 121.223 -0.526 0.000 2.307 740 L HA 0.290 4.647 4.340 0.028 0.000 0.282 740 L C -0.494 176.257 176.870 -0.199 0.000 1.051 740 L CA -0.028 54.658 54.840 -0.256 0.000 0.804 740 L CB 1.618 43.546 42.059 -0.219 0.000 1.197 740 L HN 0.523 nan 8.230 nan 0.000 0.431 741 T N 3.391 117.973 114.554 0.046 0.000 2.833 741 T HA 0.382 4.749 4.350 0.028 0.000 0.297 741 T C -0.554 174.238 174.700 0.154 0.000 1.015 741 T CA -0.328 61.841 62.100 0.115 0.000 0.963 741 T CB 0.722 69.678 68.868 0.146 0.000 0.955 741 T HN 0.711 nan 8.240 nan 0.000 0.449 742 T N 3.237 117.880 114.554 0.148 0.000 2.771 742 T HA 0.575 4.942 4.350 0.028 0.000 0.291 742 T C 0.238 174.954 174.700 0.028 0.000 0.954 742 T CA -0.564 61.633 62.100 0.162 0.000 1.045 742 T CB 0.930 69.931 68.868 0.223 0.000 0.917 742 T HN 0.595 nan 8.240 nan 0.000 0.484 743 S N 1.901 117.559 115.700 -0.069 0.000 2.634 743 S HA 0.433 4.920 4.470 0.028 0.000 0.296 743 S C 0.991 175.507 174.600 -0.141 0.000 1.104 743 S CA -0.768 57.390 58.200 -0.071 0.000 0.920 743 S CB 1.987 65.167 63.200 -0.033 0.000 1.111 743 S HN 0.659 nan 8.310 nan 0.000 0.493 744 E N 0.341 120.485 120.200 -0.093 0.000 2.085 744 E HA -0.101 4.266 4.350 0.028 0.000 0.194 744 E C 1.316 177.829 176.600 -0.145 0.000 0.994 744 E CA 1.677 58.012 56.400 -0.109 0.000 0.801 744 E CB -0.123 29.539 29.700 -0.062 0.000 0.743 744 E HN 0.602 nan 8.360 nan 0.000 0.453 745 M N 0.373 119.907 119.600 -0.110 0.000 2.509 745 M HA 0.228 4.724 4.480 0.028 0.000 0.250 745 M C -0.640 175.596 176.300 -0.106 0.000 1.132 745 M CA 0.603 55.850 55.300 -0.088 0.000 1.080 745 M CB 0.049 32.630 32.600 -0.031 0.000 1.408 745 M HN -0.099 nan 8.290 nan 0.000 0.484 746 D N -2.276 118.029 120.400 -0.158 0.000 2.622 746 D HA 0.425 5.082 4.640 0.028 0.000 0.255 746 D C -1.501 174.701 176.300 -0.165 0.000 1.246 746 D CA -0.302 53.639 54.000 -0.098 0.000 0.795 746 D CB 1.842 42.670 40.800 0.046 0.000 1.369 746 D HN -0.139 nan 8.370 nan 0.000 0.425 747 F N 1.004 121.027 119.950 0.121 0.000 2.477 747 F HA 0.476 5.020 4.527 0.028 0.000 0.335 747 F C -0.289 175.612 175.800 0.167 0.000 1.130 747 F CA -0.975 57.076 58.000 0.086 0.000 0.948 747 F CB 1.377 40.384 39.000 0.012 0.000 1.154 747 F HN 0.282 nan 8.300 nan 0.000 0.439 748 C N 6.032 125.526 119.300 0.324 0.000 2.456 748 C HA 0.862 5.339 4.460 0.028 0.000 0.325 748 C C -0.826 174.320 174.990 0.259 0.000 1.217 748 C CA -0.577 58.619 59.018 0.297 0.000 1.687 748 C CB 0.145 28.009 27.740 0.207 0.000 2.270 748 C HN 0.708 nan 8.230 nan 0.000 0.499 749 I N 4.175 124.949 120.570 0.340 0.000 2.436 749 I HA 0.557 4.744 4.170 0.028 0.000 0.289 749 I C -0.247 176.134 176.117 0.441 0.000 1.010 749 I CA 0.197 61.677 61.300 0.301 0.000 1.098 749 I CB 1.717 39.839 38.000 0.203 0.000 1.266 749 I HN 0.780 nan 8.210 nan 0.000 0.434 750 E N 5.353 125.747 120.200 0.322 0.000 2.266 750 E HA 0.795 5.162 4.350 0.028 0.000 0.268 750 E C -1.822 174.954 176.600 0.294 0.000 0.879 750 E CA -0.723 55.859 56.400 0.303 0.000 0.762 750 E CB 1.958 31.759 29.700 0.169 0.000 1.199 750 E HN 0.452 nan 8.360 nan 0.000 0.422 751 L N 4.744 126.143 121.223 0.295 0.000 2.611 751 L HA 0.596 4.952 4.340 0.028 0.000 0.263 751 L C 0.221 177.180 176.870 0.148 0.000 0.969 751 L CA 0.756 55.737 54.840 0.234 0.000 0.894 751 L CB 1.148 43.386 42.059 0.300 0.000 1.229 751 L HN 0.721 nan 8.230 nan 0.000 0.416 752 G N 4.669 113.525 108.800 0.093 0.000 2.651 752 G HA2 -0.463 3.514 3.960 0.028 0.000 0.315 752 G HA3 -0.463 3.514 3.960 0.028 0.000 0.315 752 G C 0.757 175.671 174.900 0.024 0.000 1.258 752 G CA 0.740 45.872 45.100 0.052 0.000 1.002 752 G HN 1.224 nan 8.290 nan 0.000 0.551 753 N N 1.692 120.395 118.700 0.005 0.000 2.459 753 N HA 0.002 4.759 4.740 0.028 0.000 0.181 753 N C 0.664 176.134 175.510 -0.066 0.000 1.046 753 N CA 1.606 54.638 53.050 -0.030 0.000 0.904 753 N CB -0.061 38.406 38.487 -0.033 0.000 0.964 753 N HN 0.787 nan 8.380 nan 0.000 0.444 754 K N 0.149 120.497 120.400 -0.086 0.000 2.123 754 K HA 0.475 4.812 4.320 0.028 0.000 0.248 754 K C -0.462 176.001 176.600 -0.228 0.000 0.969 754 K CA -0.713 55.410 56.287 -0.272 0.000 0.882 754 K CB 2.266 34.494 32.500 -0.454 0.000 1.080 754 K HN 0.021 nan 8.250 nan 0.000 0.441 755 R N 1.163 121.428 120.500 -0.393 0.000 2.604 755 R HA 0.325 4.682 4.340 0.028 0.000 0.270 755 R C -1.795 174.399 176.300 -0.176 0.000 1.052 755 R CA -0.613 55.462 56.100 -0.043 0.000 0.902 755 R CB 1.585 31.924 30.300 0.064 0.000 1.233 755 R HN 0.674 nan 8.270 nan 0.000 0.455 756 W N 3.524 124.933 121.300 0.183 0.000 2.683 756 W HA 0.307 4.983 4.660 0.028 0.000 0.329 756 W C -0.769 175.865 176.519 0.191 0.000 1.037 756 W CA -0.662 56.748 57.345 0.110 0.000 1.232 756 W CB 2.212 31.756 29.460 0.140 0.000 1.390 756 W HN 0.485 nan 8.180 nan 0.000 0.465 757 Q N 2.937 122.905 119.800 0.279 0.000 2.368 757 Q HA 0.349 4.705 4.340 0.028 0.000 0.263 757 Q C -1.558 174.469 176.000 0.045 0.000 1.009 757 Q CA -0.491 55.473 55.803 0.267 0.000 0.818 757 Q CB 0.873 29.813 28.738 0.337 0.000 1.239 757 Q HN 0.307 nan 8.270 nan 0.000 0.464 758 F N 3.180 123.225 119.950 0.159 0.000 2.361 758 F HA 0.238 4.782 4.527 0.028 0.000 0.364 758 F C 0.725 176.586 175.800 0.101 0.000 1.120 758 F CA -0.767 57.300 58.000 0.111 0.000 1.102 758 F CB 0.905 39.968 39.000 0.104 0.000 1.183 758 F HN 0.484 nan 8.300 nan 0.000 0.476 759 N N 4.361 123.175 118.700 0.191 0.000 2.427 759 N HA -0.011 4.746 4.740 0.028 0.000 0.269 759 N C 1.050 176.624 175.510 0.106 0.000 1.235 759 N CA 0.089 53.218 53.050 0.131 0.000 0.934 759 N CB 0.535 39.097 38.487 0.125 0.000 1.121 759 N HN 0.676 nan 8.380 nan 0.000 0.480 760 R N 2.557 123.063 120.500 0.010 0.000 2.328 760 R HA -0.132 4.225 4.340 0.028 0.000 0.207 760 R C 0.818 177.105 176.300 -0.021 0.000 1.056 760 R CA 0.999 57.064 56.100 -0.059 0.000 1.016 760 R CB 0.216 30.365 30.300 -0.250 0.000 0.872 760 R HN 0.621 nan 8.270 nan 0.000 0.471 761 Q N -0.445 119.364 119.800 0.015 0.000 2.259 761 Q HA -0.003 4.354 4.340 0.028 0.000 0.201 761 Q C 2.042 178.074 176.000 0.052 0.000 0.938 761 Q CA 1.414 57.231 55.803 0.025 0.000 0.872 761 Q CB 0.167 28.924 28.738 0.032 0.000 0.971 761 Q HN 0.258 nan 8.270 nan 0.000 0.494 762 S N -1.193 114.566 115.700 0.099 0.000 2.475 762 S HA 0.306 4.793 4.470 0.028 0.000 0.224 762 S C 1.654 176.225 174.600 -0.048 0.000 1.042 762 S CA 0.454 58.757 58.200 0.171 0.000 0.935 762 S CB 0.195 63.604 63.200 0.347 0.000 0.801 762 S HN 0.491 nan 8.310 nan 0.000 0.509 763 G N 0.391 109.166 108.800 -0.042 0.000 2.157 763 G HA2 -0.189 3.787 3.960 0.028 0.000 0.248 763 G HA3 -0.189 3.787 3.960 0.028 0.000 0.248 763 G C -0.124 174.672 174.900 -0.174 0.000 0.979 763 G CA 0.162 45.207 45.100 -0.091 0.000 0.650 763 G HN 0.522 nan 8.290 nan 0.000 0.529 764 F N -0.866 119.257 119.950 0.288 0.000 2.507 764 F HA 0.678 5.221 4.527 0.028 0.000 0.327 764 F C 0.519 176.309 175.800 -0.017 0.000 1.068 764 F CA -1.417 56.695 58.000 0.185 0.000 0.965 764 F CB 1.437 40.509 39.000 0.120 0.000 1.192 764 F HN -0.010 nan 8.300 nan 0.000 0.476 765 L N 2.328 123.524 121.223 -0.044 0.000 2.600 765 L HA 0.139 4.496 4.340 0.028 0.000 0.278 765 L C 1.080 177.836 176.870 -0.191 0.000 1.139 765 L CA 0.412 54.898 54.840 -0.591 0.000 0.933 765 L CB -0.084 41.597 42.059 -0.631 0.000 1.266 765 L HN 0.715 nan 8.230 nan 0.000 0.471 766 S N 2.585 118.199 115.700 -0.142 0.000 2.486 766 S HA 0.179 4.666 4.470 0.028 0.000 0.220 766 S C 0.636 175.138 174.600 -0.164 0.000 1.011 766 S CA 0.052 58.209 58.200 -0.072 0.000 0.921 766 S CB 0.054 63.257 63.200 0.005 0.000 0.785 766 S HN 0.682 nan 8.310 nan 0.000 0.517 767 Q N -0.329 119.328 119.800 -0.238 0.000 2.472 767 Q HA 0.719 5.076 4.340 0.028 0.000 0.281 767 Q C -1.902 173.814 176.000 -0.473 0.000 0.997 767 Q CA -0.337 55.207 55.803 -0.431 0.000 0.828 767 Q CB 1.935 30.297 28.738 -0.627 0.000 1.443 767 Q HN 0.400 nan 8.270 nan 0.000 0.390 768 M N 2.090 121.282 119.600 -0.681 0.000 2.324 768 M HA 0.581 5.078 4.480 0.028 0.000 0.288 768 M C -1.834 174.116 176.300 -0.582 0.000 1.097 768 M CA -0.193 54.765 55.300 -0.570 0.000 0.928 768 M CB 1.776 34.029 32.600 -0.578 0.000 1.648 768 M HN 0.545 nan 8.290 nan 0.000 0.460 769 W N 4.639 125.720 121.300 -0.365 0.000 2.761 769 W HA 0.626 5.302 4.660 0.028 0.000 0.340 769 W C -1.178 175.156 176.519 -0.309 0.000 1.072 769 W CA -0.750 56.437 57.345 -0.265 0.000 1.215 769 W CB 1.554 30.903 29.460 -0.186 0.000 1.420 769 W HN 0.449 nan 8.180 nan 0.000 0.519 770 I N 2.727 123.289 120.570 -0.013 0.000 2.382 770 I HA 0.397 4.584 4.170 0.028 0.000 0.285 770 I C 0.837 176.950 176.117 -0.006 0.000 1.007 770 I CA 0.239 61.496 61.300 -0.071 0.000 1.142 770 I CB 1.008 38.934 38.000 -0.124 0.000 1.289 770 I HN 0.725 nan 8.210 nan 0.000 0.453 771 G N 5.811 114.603 108.800 -0.014 0.000 2.556 771 G HA2 -0.325 3.651 3.960 0.028 0.000 0.283 771 G HA3 -0.325 3.651 3.960 0.028 0.000 0.283 771 G C 0.277 175.198 174.900 0.036 0.000 1.177 771 G CA 0.570 45.667 45.100 -0.005 0.000 0.978 771 G HN 0.789 nan 8.290 nan 0.000 0.554 772 D N 0.521 120.954 120.400 0.056 0.000 2.402 772 D HA 0.241 4.898 4.640 0.028 0.000 0.216 772 D C 0.761 177.229 176.300 0.281 0.000 1.128 772 D CA 0.401 54.471 54.000 0.117 0.000 0.833 772 D CB 0.228 41.045 40.800 0.028 0.000 0.971 772 D HN 0.690 nan 8.370 nan 0.000 0.503 773 K N 1.572 122.079 120.400 0.179 0.000 2.316 773 K HA 0.147 4.484 4.320 0.028 0.000 0.289 773 K C -0.105 176.475 176.600 -0.032 0.000 1.070 773 K CA -0.526 55.810 56.287 0.081 0.000 0.928 773 K CB 0.666 33.168 32.500 0.003 0.000 1.039 773 K HN -0.233 nan 8.250 nan 0.000 0.480 774 K N 3.251 123.538 120.400 -0.189 0.000 2.401 774 K HA -0.003 4.334 4.320 0.028 0.000 0.278 774 K C 0.672 177.067 176.600 -0.342 0.000 1.018 774 K CA -0.276 55.666 56.287 -0.574 0.000 0.981 774 K CB 0.913 33.117 32.500 -0.493 0.000 0.933 774 K HN 0.616 nan 8.250 nan 0.000 0.477 775 Q N 1.457 121.021 119.800 -0.393 0.000 2.339 775 Q HA 0.143 4.500 4.340 0.028 0.000 0.205 775 Q C 0.224 176.127 176.000 -0.161 0.000 0.925 775 Q CA 0.769 56.458 55.803 -0.190 0.000 0.898 775 Q CB 0.337 28.986 28.738 -0.149 0.000 1.013 775 Q HN 0.498 nan 8.270 nan 0.000 0.504 776 L N 0.656 121.726 121.223 -0.255 0.000 2.346 776 L HA 0.368 4.725 4.340 0.028 0.000 0.274 776 L C 1.013 177.750 176.870 -0.221 0.000 1.007 776 L CA -0.404 54.308 54.840 -0.213 0.000 0.818 776 L CB 1.532 43.469 42.059 -0.204 0.000 1.284 776 L HN -0.086 nan 8.230 nan 0.000 0.424 777 L N 0.420 121.506 121.223 -0.228 0.000 2.408 777 L HA 0.170 4.527 4.340 0.028 0.000 0.215 777 L C 0.765 177.520 176.870 -0.192 0.000 1.081 777 L CA 0.462 55.176 54.840 -0.211 0.000 0.840 777 L CB 0.104 42.026 42.059 -0.229 0.000 1.002 777 L HN 0.780 nan 8.230 nan 0.000 0.468 778 T N -2.972 111.445 114.554 -0.227 0.000 2.916 778 T HA 0.522 4.889 4.350 0.028 0.000 0.305 778 T C -2.930 171.699 174.700 -0.120 0.000 1.119 778 T CA -1.969 60.045 62.100 -0.144 0.000 1.008 778 T CB 2.516 71.317 68.868 -0.112 0.000 1.129 778 T HN -0.308 nan 8.240 nan 0.000 0.480 779 P HA 0.225 nan 4.420 nan 0.000 0.271 779 P C -0.450 176.821 177.300 -0.047 0.000 1.233 779 P CA -0.674 62.397 63.100 -0.049 0.000 0.789 779 P CB 0.305 31.998 31.700 -0.011 0.000 0.951 780 L N 2.914 124.146 121.223 0.015 0.000 2.342 780 L HA 0.289 4.646 4.340 0.028 0.000 0.285 780 L C 0.110 176.969 176.870 -0.019 0.000 1.095 780 L CA 0.514 55.398 54.840 0.074 0.000 0.843 780 L CB -0.674 41.533 42.059 0.247 0.000 1.201 780 L HN 0.271 nan 8.230 nan 0.000 0.445 781 R N 2.514 122.915 120.500 -0.165 0.000 2.837 781 R HA 0.469 4.826 4.340 0.028 0.000 0.271 781 R C -0.928 175.248 176.300 -0.207 0.000 0.993 781 R CA -0.883 54.973 56.100 -0.407 0.000 0.931 781 R CB 1.221 31.065 30.300 -0.761 0.000 1.206 781 R HN 0.574 nan 8.270 nan 0.000 0.474 782 D N 1.090 121.423 120.400 -0.112 0.000 2.423 782 D HA 0.039 4.696 4.640 0.028 0.000 0.238 782 D C -0.510 175.417 176.300 -0.621 0.000 1.142 782 D CA 0.582 54.388 54.000 -0.323 0.000 0.884 782 D CB 0.601 41.193 40.800 -0.347 0.000 1.199 782 D HN 0.165 nan 8.370 nan 0.000 0.438 783 Q N 1.291 120.494 119.800 -0.994 0.000 2.263 783 Q HA 0.307 4.664 4.340 0.028 0.000 0.266 783 Q C -1.182 174.002 176.000 -1.359 0.000 1.002 783 Q CA -0.574 54.670 55.803 -0.931 0.000 0.790 783 Q CB 0.801 29.230 28.738 -0.514 0.000 1.272 783 Q HN 0.561 nan 8.270 nan 0.000 0.435 784 F N 0.714 120.270 119.950 -0.656 0.000 2.688 784 F HA 0.195 4.739 4.527 0.028 0.000 0.310 784 F C 0.748 176.111 175.800 -0.728 0.000 1.098 784 F CA -0.145 57.364 58.000 -0.818 0.000 1.228 784 F CB 1.463 39.648 39.000 -1.359 0.000 1.042 784 F HN 0.426 nan 8.300 nan 0.000 0.557 785 T N -0.866 113.353 114.554 -0.558 0.000 2.864 785 T HA 0.792 5.158 4.350 0.028 0.000 0.289 785 T C -0.661 173.756 174.700 -0.472 0.000 1.082 785 T CA -1.002 60.698 62.100 -0.668 0.000 1.009 785 T CB 2.805 71.174 68.868 -0.831 0.000 1.234 785 T HN 0.236 nan 8.240 nan 0.000 0.526 786 R N -0.240 120.027 120.500 -0.388 0.000 2.740 786 R HA 0.758 5.115 4.340 0.028 0.000 0.273 786 R C -0.833 175.503 176.300 0.060 0.000 0.998 786 R CA -1.220 54.794 56.100 -0.143 0.000 0.900 786 R CB 1.462 31.695 30.300 -0.111 0.000 1.223 786 R HN 0.864 nan 8.270 nan 0.000 0.466 787 A N 3.298 126.149 122.820 0.052 0.000 2.526 787 A HA 0.259 4.596 4.320 0.028 0.000 0.267 787 A C -1.991 175.661 177.584 0.113 0.000 1.095 787 A CA -1.066 51.012 52.037 0.068 0.000 0.775 787 A CB -0.599 18.386 19.000 -0.026 0.000 1.036 787 A HN 0.506 nan 8.150 nan 0.000 0.510 788 P HA 0.100 nan 4.420 nan 0.000 0.264 788 P C -0.209 177.223 177.300 0.220 0.000 1.183 788 P CA 0.460 63.726 63.100 0.277 0.000 0.763 788 P CB 0.308 32.193 31.700 0.308 0.000 0.807 789 L N 2.326 123.647 121.223 0.165 0.000 2.468 789 L HA 0.220 4.576 4.340 0.028 0.000 0.254 789 L C 1.760 178.678 176.870 0.079 0.000 1.171 789 L CA -0.593 54.291 54.840 0.073 0.000 0.809 789 L CB 0.005 42.022 42.059 -0.070 0.000 1.155 789 L HN 0.266 nan 8.230 nan 0.000 0.473 790 D N 0.387 120.766 120.400 -0.036 0.000 2.123 790 D HA -0.163 4.494 4.640 0.028 0.000 0.196 790 D C 1.614 177.868 176.300 -0.078 0.000 0.992 790 D CA 1.454 55.343 54.000 -0.184 0.000 0.833 790 D CB -0.042 40.560 40.800 -0.330 0.000 0.954 790 D HN 0.488 nan 8.370 nan 0.000 0.455 791 N N 1.081 119.750 118.700 -0.052 0.000 2.443 791 N HA -0.108 4.649 4.740 0.028 0.000 0.184 791 N C 1.072 176.614 175.510 0.054 0.000 1.037 791 N CA 0.687 53.736 53.050 -0.001 0.000 0.896 791 N CB -0.084 38.392 38.487 -0.019 0.000 0.959 791 N HN 0.295 nan 8.380 nan 0.000 0.442 792 D N 0.274 120.719 120.400 0.076 0.000 2.213 792 D HA 0.095 4.752 4.640 0.028 0.000 0.205 792 D C 1.989 178.339 176.300 0.083 0.000 0.961 792 D CA 0.291 54.363 54.000 0.120 0.000 0.853 792 D CB 0.213 41.164 40.800 0.252 0.000 0.967 792 D HN 0.280 nan 8.370 nan 0.000 0.496 793 I N 0.361 120.974 120.570 0.072 0.000 2.480 793 I HA 0.043 4.229 4.170 0.028 0.000 0.251 793 I C 1.904 178.049 176.117 0.047 0.000 1.124 793 I CA 0.697 62.026 61.300 0.049 0.000 1.444 793 I CB -0.255 37.756 38.000 0.017 0.000 1.098 793 I HN 0.055 nan 8.210 nan 0.000 0.428 794 G N 1.346 110.196 108.800 0.084 0.000 2.596 794 G HA2 -0.382 3.595 3.960 0.028 0.000 0.304 794 G HA3 -0.382 3.595 3.960 0.028 0.000 0.304 794 G C 0.860 175.883 174.900 0.205 0.000 1.189 794 G CA 1.138 46.332 45.100 0.157 0.000 0.986 794 G HN 0.580 nan 8.290 nan 0.000 0.548 795 V N -1.801 118.159 119.914 0.077 0.000 3.647 795 V HA 0.626 4.762 4.120 0.028 0.000 0.279 795 V C 1.290 177.362 176.094 -0.037 0.000 1.314 795 V CA 1.340 63.615 62.300 -0.041 0.000 1.125 795 V CB 0.222 31.959 31.823 -0.143 0.000 0.907 795 V HN 1.140 nan 8.190 nan 0.000 0.434 796 S N 1.270 116.964 115.700 -0.010 0.000 2.549 796 S HA 0.288 4.775 4.470 0.028 0.000 0.286 796 S C -0.086 174.511 174.600 -0.005 0.000 1.314 796 S CA 0.181 58.371 58.200 -0.018 0.000 1.062 796 S CB 0.114 63.303 63.200 -0.019 0.000 0.865 796 S HN 0.812 nan 8.310 nan 0.000 0.498 797 E N 1.365 121.557 120.200 -0.012 0.000 2.331 797 E HA 0.432 4.799 4.350 0.028 0.000 0.275 797 E C -0.279 176.321 176.600 0.001 0.000 0.895 797 E CA -0.680 55.719 56.400 -0.000 0.000 0.753 797 E CB 1.513 31.205 29.700 -0.013 0.000 1.216 797 E HN 0.628 nan 8.360 nan 0.000 0.434 798 A N 1.668 124.496 122.820 0.014 0.000 2.219 798 A HA -0.108 4.229 4.320 0.028 0.000 0.201 798 A C 1.240 178.828 177.584 0.006 0.000 1.345 798 A CA 1.889 53.933 52.037 0.013 0.000 0.930 798 A CB -0.915 18.098 19.000 0.022 0.000 0.743 798 A HN 0.622 nan 8.150 nan 0.000 0.519 799 T N -6.533 108.019 114.554 -0.003 0.000 3.177 799 T HA 0.202 4.569 4.350 0.028 0.000 0.267 799 T C 0.553 175.240 174.700 -0.022 0.000 0.858 799 T CA -0.295 61.800 62.100 -0.009 0.000 0.846 799 T CB 0.224 69.088 68.868 -0.006 0.000 1.256 799 T HN 0.147 nan 8.240 nan 0.000 0.601 800 R N 1.780 122.263 120.500 -0.027 0.000 2.835 800 R HA 0.448 4.805 4.340 0.028 0.000 0.290 800 R C -0.827 175.449 176.300 -0.040 0.000 1.410 800 R CA -0.791 55.283 56.100 -0.043 0.000 1.590 800 R CB -0.025 30.239 30.300 -0.059 0.000 1.288 800 R HN 0.353 nan 8.270 nan 0.000 0.637 801 I N 1.400 121.950 120.570 -0.033 0.000 2.598 801 I HA -0.048 4.139 4.170 0.028 0.000 0.284 801 I C 0.740 176.829 176.117 -0.047 0.000 1.140 801 I CA -0.237 61.043 61.300 -0.033 0.000 1.420 801 I CB 0.317 38.301 38.000 -0.026 0.000 1.387 801 I HN 0.138 nan 8.210 nan 0.000 0.553 802 D N 9.724 130.093 120.400 -0.052 0.000 2.467 802 D HA 0.289 4.946 4.640 0.028 0.000 0.220 802 D C -1.829 174.421 176.300 -0.083 0.000 1.103 802 D CA -2.179 51.782 54.000 -0.066 0.000 0.886 802 D CB 1.571 42.333 40.800 -0.063 0.000 1.025 802 D HN 0.177 nan 8.370 nan 0.000 0.514 803 P HA -0.076 nan 4.420 nan 0.000 0.225 803 P C 0.911 178.119 177.300 -0.153 0.000 1.148 803 P CA 0.626 63.665 63.100 -0.102 0.000 0.779 803 P CB 0.369 32.019 31.700 -0.084 0.000 0.780 804 N N -0.263 118.344 118.700 -0.154 0.000 2.446 804 N HA 0.045 4.802 4.740 0.028 0.000 0.179 804 N C 0.374 175.707 175.510 -0.295 0.000 1.054 804 N CA 0.057 52.978 53.050 -0.215 0.000 0.905 804 N CB -0.528 37.856 38.487 -0.172 0.000 0.973 804 N HN -0.054 nan 8.380 nan 0.000 0.448 805 A N -0.416 122.271 122.820 -0.222 0.000 2.511 805 A HA 0.036 4.373 4.320 0.028 0.000 0.242 805 A C 0.727 178.106 177.584 -0.341 0.000 1.069 805 A CA -0.330 51.574 52.037 -0.221 0.000 0.763 805 A CB -0.273 18.664 19.000 -0.104 0.000 1.001 805 A HN 0.528 nan 8.150 nan 0.000 0.498 806 W N 1.983 123.025 121.300 -0.431 0.000 2.290 806 W HA -0.249 4.427 4.660 0.027 0.000 0.318 806 W C 2.228 178.105 176.519 -1.069 0.000 1.248 806 W CA 1.941 58.763 57.345 -0.872 0.000 1.263 806 W CB -0.357 28.497 29.460 -1.010 0.000 1.147 806 W HN 0.586 nan 8.180 nan 0.000 0.494 807 V N 0.842 120.556 119.914 -0.332 0.000 2.324 807 V HA -0.306 3.831 4.120 0.028 0.000 0.250 807 V C 2.220 178.347 176.094 0.055 0.000 1.060 807 V CA 2.305 64.629 62.300 0.039 0.000 1.042 807 V CB -0.417 31.487 31.823 0.135 0.000 0.650 807 V HN 0.093 nan 8.190 nan 0.000 0.450 808 E N -0.071 120.088 120.200 -0.069 0.000 2.077 808 E HA -0.201 4.166 4.350 0.028 0.000 0.193 808 E C 2.325 178.880 176.600 -0.075 0.000 0.989 808 E CA 1.303 57.669 56.400 -0.056 0.000 0.800 808 E CB -0.382 29.268 29.700 -0.083 0.000 0.746 808 E HN 0.617 nan 8.360 nan 0.000 0.452 809 R N -0.222 120.156 120.500 -0.204 0.000 2.073 809 R HA -0.133 4.224 4.340 0.028 0.000 0.234 809 R C 2.371 178.601 176.300 -0.115 0.000 1.134 809 R CA 1.571 57.530 56.100 -0.236 0.000 0.952 809 R CB -0.240 29.805 30.300 -0.425 0.000 0.850 809 R HN 0.250 nan 8.270 nan 0.000 0.433 810 W N 1.465 122.742 121.300 -0.040 0.000 2.354 810 W HA -0.105 4.572 4.660 0.028 0.000 0.315 810 W C 1.950 178.473 176.519 0.006 0.000 1.206 810 W CA 0.751 58.007 57.345 -0.149 0.000 1.290 810 W CB -0.851 28.690 29.460 0.135 0.000 1.152 810 W HN 0.112 nan 8.180 nan 0.000 0.489 811 K N 0.161 120.808 120.400 0.412 0.000 2.032 811 K HA -0.119 4.218 4.320 0.028 0.000 0.209 811 K C 2.209 178.881 176.600 0.120 0.000 1.048 811 K CA 1.774 58.244 56.287 0.305 0.000 0.927 811 K CB -0.759 31.839 32.500 0.162 0.000 0.712 811 K HN 0.028 nan 8.250 nan 0.000 0.441 812 A N 1.497 124.354 122.820 0.061 0.000 1.972 812 A HA -0.076 4.261 4.320 0.028 0.000 0.219 812 A C 2.268 179.843 177.584 -0.014 0.000 1.169 812 A CA 1.750 53.799 52.037 0.020 0.000 0.635 812 A CB -0.466 18.534 19.000 -0.001 0.000 0.810 812 A HN 0.349 nan 8.150 nan 0.000 0.446 813 A N -1.997 120.792 122.820 -0.052 0.000 2.206 813 A HA 0.398 4.735 4.320 0.028 0.000 0.211 813 A C 1.798 179.294 177.584 -0.146 0.000 1.158 813 A CA 1.273 53.282 52.037 -0.046 0.000 0.761 813 A CB -0.801 18.153 19.000 -0.076 0.000 0.801 813 A HN 1.869 nan 8.150 nan 0.000 0.473 814 G N -1.720 106.900 108.800 -0.300 0.000 2.157 814 G HA2 -0.284 3.693 3.960 0.028 0.000 0.239 814 G HA3 -0.284 3.693 3.960 0.028 0.000 0.239 814 G C 0.592 175.473 174.900 -0.032 0.000 0.982 814 G CA 0.593 45.266 45.100 -0.711 0.000 0.650 814 G HN 0.735 nan 8.290 nan 0.000 0.527 815 H N -1.321 117.742 119.070 -0.012 0.000 2.387 815 H HA -0.105 4.468 4.556 0.028 0.000 0.299 815 H C 2.115 177.405 175.328 -0.064 0.000 1.099 815 H CA 1.618 57.674 56.048 0.013 0.000 1.315 815 H CB 0.055 29.812 29.762 -0.009 0.000 1.380 815 H HN 0.581 nan 8.280 nan 0.000 0.513 816 Y N 0.575 120.993 120.300 0.197 0.000 2.544 816 Y HA -0.038 4.529 4.550 0.028 0.000 0.286 816 Y C 1.972 177.956 175.900 0.140 0.000 1.141 816 Y CA 0.334 58.516 58.100 0.136 0.000 1.299 816 Y CB 0.443 38.970 38.460 0.111 0.000 1.030 816 Y HN 0.224 nan 8.280 nan 0.000 0.543 817 Q N -0.227 119.738 119.800 0.276 0.000 2.319 817 Q HA 0.296 4.653 4.340 0.028 0.000 0.209 817 Q C 0.895 177.077 176.000 0.305 0.000 0.884 817 Q CA 0.168 56.132 55.803 0.269 0.000 0.938 817 Q CB 0.272 29.176 28.738 0.277 0.000 1.098 817 Q HN 0.286 nan 8.270 nan 0.000 0.517 818 A N 2.393 125.407 122.820 0.322 0.000 2.603 818 A HA -0.060 4.277 4.320 0.028 0.000 0.235 818 A C 0.085 177.971 177.584 0.504 0.000 1.035 818 A CA 0.625 52.925 52.037 0.438 0.000 0.755 818 A CB 0.147 19.430 19.000 0.472 0.000 0.954 818 A HN 0.118 nan 8.150 nan 0.000 0.511 819 E N 1.150 121.583 120.200 0.388 0.000 2.158 819 E HA 0.455 4.822 4.350 0.028 0.000 0.271 819 E C -0.392 176.129 176.600 -0.132 0.000 0.911 819 E CA -0.533 55.976 56.400 0.182 0.000 0.767 819 E CB 1.844 31.618 29.700 0.123 0.000 1.120 819 E HN 0.737 nan 8.360 nan 0.000 0.405 820 A N 2.687 125.242 122.820 -0.441 0.000 2.410 820 A HA 0.447 4.784 4.320 0.028 0.000 0.292 820 A C 0.089 177.483 177.584 -0.317 0.000 1.232 820 A CA -0.203 51.283 52.037 -0.918 0.000 0.893 820 A CB -0.019 18.680 19.000 -0.501 0.000 1.131 820 A HN 0.595 nan 8.150 nan 0.000 0.530 821 A N 3.125 125.782 122.820 -0.271 0.000 2.276 821 A HA 0.580 4.917 4.320 0.028 0.000 0.316 821 A C -0.261 177.266 177.584 -0.096 0.000 1.229 821 A CA -0.561 51.414 52.037 -0.103 0.000 0.851 821 A CB 0.355 19.319 19.000 -0.059 0.000 1.165 821 A HN 1.033 nan 8.150 nan 0.000 0.513 822 L N 3.150 124.320 121.223 -0.088 0.000 2.361 822 L HA 0.318 4.675 4.340 0.028 0.000 0.278 822 L C 0.454 177.222 176.870 -0.170 0.000 1.113 822 L CA 0.301 55.021 54.840 -0.201 0.000 0.849 822 L CB 0.326 42.279 42.059 -0.175 0.000 1.155 822 L HN 0.755 nan 8.230 nan 0.000 0.452 823 L N 3.613 124.701 121.223 -0.225 0.000 2.575 823 L HA 0.345 4.701 4.340 0.028 0.000 0.228 823 L C 0.393 177.197 176.870 -0.111 0.000 1.075 823 L CA 0.022 54.790 54.840 -0.120 0.000 0.867 823 L CB -0.059 41.962 42.059 -0.064 0.000 1.097 823 L HN 0.729 nan 8.230 nan 0.000 0.485 824 Q N -0.190 119.510 119.800 -0.167 0.000 2.541 824 Q HA 0.258 4.614 4.340 0.028 0.000 0.259 824 Q C -2.197 173.743 176.000 -0.100 0.000 0.974 824 Q CA -0.512 55.233 55.803 -0.097 0.000 0.955 824 Q CB 2.379 31.085 28.738 -0.052 0.000 1.517 824 Q HN 0.026 nan 8.270 nan 0.000 0.412 825 C N 3.492 122.779 119.300 -0.022 0.000 2.679 825 C HA 0.787 5.264 4.460 0.028 0.000 0.354 825 C C -0.761 174.317 174.990 0.146 0.000 1.067 825 C CA 0.600 59.650 59.018 0.054 0.000 1.317 825 C CB 0.584 28.365 27.740 0.069 0.000 1.843 825 C HN 0.810 nan 8.230 nan 0.000 0.459 826 T N 2.624 117.186 114.554 0.013 0.000 2.906 826 T HA 0.890 5.257 4.350 0.028 0.000 0.295 826 T C -0.572 173.835 174.700 -0.487 0.000 1.075 826 T CA -0.175 61.857 62.100 -0.114 0.000 1.005 826 T CB 1.926 70.744 68.868 -0.084 0.000 1.136 826 T HN 1.592 nan 8.240 nan 0.000 0.498 827 A N 1.826 124.211 122.820 -0.725 0.000 2.365 827 A HA 0.792 5.129 4.320 0.028 0.000 0.318 827 A C -1.096 176.235 177.584 -0.422 0.000 1.091 827 A CA -0.686 50.859 52.037 -0.820 0.000 0.763 827 A CB 1.313 19.470 19.000 -1.404 0.000 1.248 827 A HN 0.878 nan 8.150 nan 0.000 0.442 828 D N 0.636 120.836 120.400 -0.332 0.000 2.645 828 D HA 0.550 5.206 4.640 0.028 0.000 0.228 828 D C -1.044 175.143 176.300 -0.188 0.000 1.148 828 D CA 0.043 53.917 54.000 -0.210 0.000 0.860 828 D CB 2.324 43.032 40.800 -0.153 0.000 1.548 828 D HN 0.493 nan 8.370 nan 0.000 0.460 829 T N 0.731 115.201 114.554 -0.139 0.000 2.770 829 T HA 0.566 4.933 4.350 0.028 0.000 0.297 829 T C 0.598 175.247 174.700 -0.085 0.000 0.997 829 T CA -0.665 61.364 62.100 -0.119 0.000 0.949 829 T CB 0.487 69.289 68.868 -0.109 0.000 0.941 829 T HN 0.125 nan 8.240 nan 0.000 0.457 830 L N 1.507 122.681 121.223 -0.082 0.000 2.416 830 L HA 0.682 5.039 4.340 0.028 0.000 0.263 830 L C 2.003 178.846 176.870 -0.045 0.000 1.065 830 L CA -1.419 53.386 54.840 -0.059 0.000 0.798 830 L CB 0.231 42.255 42.059 -0.058 0.000 1.267 830 L HN 0.630 nan 8.230 nan 0.000 0.467 831 A N 0.494 123.294 122.820 -0.032 0.000 1.940 831 A HA -0.172 4.165 4.320 0.028 0.000 0.219 831 A C 1.279 178.851 177.584 -0.020 0.000 1.176 831 A CA 2.008 54.033 52.037 -0.021 0.000 0.631 831 A CB -0.544 18.447 19.000 -0.015 0.000 0.814 831 A HN 0.942 nan 8.150 nan 0.000 0.446 832 D N -2.651 117.732 120.400 -0.029 0.000 2.503 832 D HA 0.536 5.193 4.640 0.028 0.000 0.218 832 D C 0.258 176.531 176.300 -0.044 0.000 1.183 832 D CA 0.721 54.704 54.000 -0.029 0.000 0.827 832 D CB -0.113 40.670 40.800 -0.027 0.000 1.034 832 D HN 0.440 nan 8.370 nan 0.000 0.510 833 A N -0.371 122.413 122.820 -0.060 0.000 2.529 833 A HA 0.688 5.024 4.320 0.028 0.000 0.296 833 A C -1.662 175.851 177.584 -0.118 0.000 1.205 833 A CA -0.677 51.306 52.037 -0.089 0.000 0.671 833 A CB 1.545 20.491 19.000 -0.091 0.000 1.301 833 A HN -0.013 nan 8.150 nan 0.000 0.450 834 V N 0.464 120.283 119.914 -0.158 0.000 2.444 834 V HA 0.538 4.675 4.120 0.028 0.000 0.294 834 V C -0.990 174.974 176.094 -0.216 0.000 1.022 834 V CA -0.209 61.970 62.300 -0.202 0.000 0.850 834 V CB 1.231 32.917 31.823 -0.229 0.000 0.992 834 V HN 0.714 nan 8.190 nan 0.000 0.426 835 L N 6.657 127.751 121.223 -0.216 0.000 2.301 835 L HA 0.575 4.932 4.340 0.028 0.000 0.278 835 L C -0.658 176.054 176.870 -0.264 0.000 1.022 835 L CA -0.045 54.680 54.840 -0.192 0.000 0.854 835 L CB 0.598 42.579 42.059 -0.129 0.000 1.226 835 L HN 0.436 nan 8.230 nan 0.000 0.429 836 I N 3.699 124.097 120.570 -0.286 0.000 2.331 836 I HA 0.330 4.517 4.170 0.028 0.000 0.292 836 I C 0.030 176.097 176.117 -0.084 0.000 0.998 836 I CA -0.176 60.906 61.300 -0.365 0.000 1.267 836 I CB 1.283 38.833 38.000 -0.750 0.000 1.386 836 I HN 0.473 nan 8.210 nan 0.000 0.476 837 T N 5.121 119.614 114.554 -0.103 0.000 2.786 837 T HA 0.546 4.913 4.350 0.028 0.000 0.283 837 T C 0.291 175.011 174.700 0.033 0.000 0.992 837 T CA -0.516 61.581 62.100 -0.003 0.000 0.954 837 T CB 1.489 70.329 68.868 -0.047 0.000 0.934 837 T HN 0.787 nan 8.240 nan 0.000 0.440 838 T N -0.133 114.491 114.554 0.116 0.000 2.916 838 T HA 0.889 5.256 4.350 0.028 0.000 0.292 838 T C -1.081 173.654 174.700 0.058 0.000 1.055 838 T CA -1.076 61.069 62.100 0.075 0.000 1.009 838 T CB 2.075 71.071 68.868 0.213 0.000 1.118 838 T HN 0.740 nan 8.240 nan 0.000 0.497 839 A N 1.593 124.353 122.820 -0.100 0.000 2.488 839 A HA 0.741 5.077 4.320 0.028 0.000 0.295 839 A C -1.511 175.911 177.584 -0.269 0.000 1.045 839 A CA -0.831 51.194 52.037 -0.019 0.000 0.703 839 A CB 0.865 19.875 19.000 0.015 0.000 1.271 839 A HN 1.010 nan 8.150 nan 0.000 0.400 840 H N 0.186 119.315 119.070 0.099 0.000 2.821 840 H HA 0.813 5.386 4.556 0.028 0.000 0.373 840 H C -0.071 175.308 175.328 0.084 0.000 1.165 840 H CA 0.059 56.092 56.048 -0.026 0.000 1.154 840 H CB 2.092 31.712 29.762 -0.235 0.000 1.765 840 H HN 0.976 nan 8.280 nan 0.000 0.549 841 A N 1.745 124.613 122.820 0.080 0.000 2.330 841 A HA 0.420 4.756 4.320 0.028 0.000 0.313 841 A C -1.237 176.426 177.584 0.133 0.000 1.124 841 A CA -0.702 51.452 52.037 0.196 0.000 0.774 841 A CB 0.898 19.964 19.000 0.110 0.000 1.198 841 A HN 0.594 nan 8.150 nan 0.000 0.465 842 W N 2.113 123.539 121.300 0.210 0.000 2.433 842 W HA 0.474 5.151 4.660 0.028 0.000 0.315 842 W C -0.186 176.367 176.519 0.057 0.000 1.087 842 W CA -0.279 57.183 57.345 0.195 0.000 1.205 842 W CB 1.729 31.370 29.460 0.301 0.000 1.288 842 W HN 0.883 nan 8.180 nan 0.000 0.504 843 Q N 1.314 121.290 119.800 0.293 0.000 2.615 843 Q HA 0.533 4.890 4.340 0.028 0.000 0.298 843 Q C -1.224 174.925 176.000 0.249 0.000 1.023 843 Q CA -1.067 54.849 55.803 0.187 0.000 0.768 843 Q CB 3.492 32.299 28.738 0.114 0.000 1.500 843 Q HN 0.453 nan 8.270 nan 0.000 0.441 844 H N 0.457 119.576 119.070 0.082 0.000 3.087 844 H HA 0.090 4.663 4.556 0.028 0.000 0.348 844 H C -0.873 174.494 175.328 0.066 0.000 1.092 844 H CA -0.183 55.920 56.048 0.092 0.000 1.285 844 H CB 1.484 31.312 29.762 0.110 0.000 1.875 844 H HN 0.908 nan 8.280 nan 0.000 0.512 845 Q N 2.841 122.393 119.800 -0.412 0.000 2.408 845 Q HA -0.255 4.102 4.340 0.028 0.000 0.290 845 Q C 0.886 176.836 176.000 -0.084 0.000 1.221 845 Q CA 1.360 56.995 55.803 -0.280 0.000 0.895 845 Q CB -1.397 27.130 28.738 -0.352 0.000 1.241 845 Q HN 1.138 nan 8.270 nan 0.000 0.494 846 G N -0.171 108.609 108.800 -0.032 0.000 2.179 846 G HA2 -0.356 3.621 3.960 0.028 0.000 0.260 846 G HA3 -0.356 3.621 3.960 0.028 0.000 0.260 846 G C -0.010 174.906 174.900 0.027 0.000 0.977 846 G CA 0.693 45.794 45.100 0.003 0.000 0.641 846 G HN 0.373 nan 8.290 nan 0.000 0.533 847 K N 1.068 121.498 120.400 0.049 0.000 2.156 847 K HA 0.663 5.000 4.320 0.028 0.000 0.271 847 K C -0.064 176.563 176.600 0.046 0.000 0.995 847 K CA -0.188 56.130 56.287 0.052 0.000 0.890 847 K CB 1.078 33.619 32.500 0.069 0.000 1.073 847 K HN -0.034 nan 8.250 nan 0.000 0.454 848 T N 6.122 120.691 114.554 0.024 0.000 2.747 848 T HA 0.227 4.594 4.350 0.028 0.000 0.301 848 T C 1.087 175.742 174.700 -0.076 0.000 0.952 848 T CA -0.430 61.679 62.100 0.016 0.000 0.983 848 T CB 0.142 69.038 68.868 0.046 0.000 0.930 848 T HN 0.550 nan 8.240 nan 0.000 0.494 849 L N 2.698 123.788 121.223 -0.221 0.000 2.007 849 L HA 0.217 4.574 4.340 0.028 0.000 0.205 849 L C 0.115 176.519 176.870 -0.778 0.000 1.073 849 L CA 1.251 55.682 54.840 -0.681 0.000 0.744 849 L CB -0.140 41.234 42.059 -1.143 0.000 0.898 849 L HN 0.507 nan 8.230 nan 0.000 0.435 850 F N -1.567 118.340 119.950 -0.071 0.000 2.613 850 F HA 0.596 5.139 4.527 0.028 0.000 0.314 850 F C -0.464 175.421 175.800 0.142 0.000 1.075 850 F CA -0.871 57.031 58.000 -0.162 0.000 0.945 850 F CB 1.856 40.389 39.000 -0.779 0.000 1.310 850 F HN -0.313 nan 8.300 nan 0.000 0.467 851 I N 1.502 122.274 120.570 0.336 0.000 2.447 851 I HA 0.330 4.517 4.170 0.028 0.000 0.287 851 I C -0.818 175.538 176.117 0.399 0.000 1.023 851 I CA -0.481 61.043 61.300 0.373 0.000 1.083 851 I CB 2.100 40.243 38.000 0.237 0.000 1.245 851 I HN 0.579 nan 8.210 nan 0.000 0.434 852 S N 7.158 123.199 115.700 0.567 0.000 2.449 852 S HA 0.591 5.078 4.470 0.028 0.000 0.310 852 S C -0.621 174.222 174.600 0.406 0.000 1.096 852 S CA -0.644 57.863 58.200 0.512 0.000 1.095 852 S CB 0.745 64.361 63.200 0.693 0.000 1.007 852 S HN 0.566 nan 8.310 nan 0.000 0.474 853 R N 3.443 124.102 120.500 0.264 0.000 2.437 853 R HA 0.576 4.933 4.340 0.028 0.000 0.310 853 R C -0.811 175.557 176.300 0.113 0.000 0.955 853 R CA -0.785 55.422 56.100 0.179 0.000 0.851 853 R CB 1.856 32.234 30.300 0.131 0.000 1.161 853 R HN 0.604 nan 8.270 nan 0.000 0.446 854 K N 0.860 121.321 120.400 0.101 0.000 2.512 854 K HA 0.445 4.782 4.320 0.028 0.000 0.263 854 K C -0.888 175.695 176.600 -0.029 0.000 0.966 854 K CA -0.971 55.303 56.287 -0.021 0.000 0.851 854 K CB 2.545 35.005 32.500 -0.067 0.000 1.395 854 K HN 0.628 nan 8.250 nan 0.000 0.440 855 T N -1.371 113.099 114.554 -0.141 0.000 2.886 855 T HA 0.554 4.920 4.350 0.028 0.000 0.292 855 T C -1.214 173.373 174.700 -0.187 0.000 1.012 855 T CA -0.730 61.325 62.100 -0.075 0.000 0.982 855 T CB 0.436 69.280 68.868 -0.040 0.000 1.018 855 T HN 0.381 nan 8.240 nan 0.000 0.451 856 Y N 1.211 121.477 120.300 -0.057 0.000 2.335 856 Y HA 0.623 5.190 4.550 0.028 0.000 0.338 856 Y C 0.648 176.471 175.900 -0.128 0.000 0.977 856 Y CA -1.283 56.792 58.100 -0.041 0.000 1.114 856 Y CB 1.634 40.097 38.460 0.004 0.000 1.182 856 Y HN 0.562 nan 8.280 nan 0.000 0.463 857 R N 4.897 125.414 120.500 0.028 0.000 2.358 857 R HA 0.517 4.874 4.340 0.028 0.000 0.309 857 R C -1.550 174.695 176.300 -0.091 0.000 1.026 857 R CA -0.347 55.724 56.100 -0.048 0.000 0.909 857 R CB 0.435 30.715 30.300 -0.034 0.000 1.153 857 R HN 0.794 nan 8.270 nan 0.000 0.515 858 I N 4.862 125.315 120.570 -0.196 0.000 2.312 858 I HA 0.152 4.339 4.170 0.028 0.000 0.290 858 I C -0.135 175.858 176.117 -0.206 0.000 1.008 858 I CA -0.664 60.446 61.300 -0.316 0.000 1.226 858 I CB 1.276 38.894 38.000 -0.637 0.000 1.371 858 I HN 0.580 nan 8.210 nan 0.000 0.468 859 D N 4.128 124.448 120.400 -0.133 0.000 2.384 859 D HA 0.299 4.956 4.640 0.028 0.000 0.250 859 D C 1.244 177.518 176.300 -0.043 0.000 1.029 859 D CA -0.763 53.193 54.000 -0.073 0.000 0.990 859 D CB 1.241 42.019 40.800 -0.038 0.000 1.175 859 D HN 0.464 nan 8.370 nan 0.000 0.532 860 G N -0.619 108.163 108.800 -0.029 0.000 2.485 860 G HA2 -0.295 3.682 3.960 0.028 0.000 0.221 860 G HA3 -0.295 3.682 3.960 0.028 0.000 0.221 860 G C 1.321 176.218 174.900 -0.004 0.000 1.115 860 G CA 1.286 46.380 45.100 -0.011 0.000 0.751 860 G HN 0.612 nan 8.290 nan 0.000 0.567 861 S N -0.411 115.281 115.700 -0.012 0.000 2.515 861 S HA 0.314 4.800 4.470 0.028 0.000 0.231 861 S C 1.940 176.575 174.600 0.058 0.000 0.987 861 S CA 1.030 59.231 58.200 0.002 0.000 0.936 861 S CB -0.250 62.950 63.200 0.001 0.000 0.766 861 S HN 1.628 nan 8.310 nan 0.000 0.528 862 G N 0.167 109.021 108.800 0.090 0.000 2.157 862 G HA2 -0.233 3.744 3.960 0.028 0.000 0.248 862 G HA3 -0.233 3.744 3.960 0.028 0.000 0.248 862 G C -0.236 174.785 174.900 0.201 0.000 0.979 862 G CA 0.145 45.359 45.100 0.190 0.000 0.650 862 G HN 0.636 nan 8.290 nan 0.000 0.529 863 Q N -0.353 119.516 119.800 0.115 0.000 2.256 863 Q HA 0.645 5.001 4.340 0.028 0.000 0.254 863 Q C 0.298 176.348 176.000 0.083 0.000 0.916 863 Q CA -0.304 55.579 55.803 0.133 0.000 0.932 863 Q CB 1.567 30.369 28.738 0.106 0.000 1.207 863 Q HN 0.438 nan 8.270 nan 0.000 0.426 864 M N 2.390 122.087 119.600 0.161 0.000 2.055 864 M HA 0.485 4.982 4.480 0.028 0.000 0.347 864 M C -1.212 175.213 176.300 0.209 0.000 1.123 864 M CA -0.468 54.900 55.300 0.114 0.000 1.035 864 M CB 0.629 33.343 32.600 0.191 0.000 1.484 864 M HN 0.696 nan 8.290 nan 0.000 0.428 865 A N 6.795 129.688 122.820 0.121 0.000 2.269 865 A HA 0.621 4.958 4.320 0.028 0.000 0.302 865 A C -0.749 176.877 177.584 0.070 0.000 1.266 865 A CA -0.574 51.529 52.037 0.109 0.000 0.894 865 A CB -0.158 18.880 19.000 0.063 0.000 1.147 865 A HN 0.905 nan 8.150 nan 0.000 0.537 866 I N 2.315 122.920 120.570 0.059 0.000 2.354 866 I HA 0.354 4.541 4.170 0.028 0.000 0.292 866 I C -0.070 175.951 176.117 -0.160 0.000 0.989 866 I CA -0.016 61.224 61.300 -0.099 0.000 1.188 866 I CB 2.140 40.090 38.000 -0.083 0.000 1.342 866 I HN 0.515 nan 8.210 nan 0.000 0.457 867 T N 5.408 119.826 114.554 -0.227 0.000 2.864 867 T HA 0.491 4.858 4.350 0.028 0.000 0.310 867 T C -0.246 174.269 174.700 -0.308 0.000 1.040 867 T CA -0.562 61.399 62.100 -0.231 0.000 0.977 867 T CB 0.959 69.783 68.868 -0.073 0.000 0.976 867 T HN 0.182 nan 8.240 nan 0.000 0.459 868 V N 3.157 122.755 119.914 -0.527 0.000 2.435 868 V HA 0.501 4.637 4.120 0.028 0.000 0.290 868 V C -0.543 175.380 176.094 -0.285 0.000 1.030 868 V CA -0.851 61.167 62.300 -0.470 0.000 0.881 868 V CB 1.632 32.952 31.823 -0.838 0.000 0.983 868 V HN 0.818 nan 8.190 nan 0.000 0.445 869 D N 3.115 123.503 120.400 -0.019 0.000 2.549 869 D HA 0.574 5.230 4.640 0.028 0.000 0.251 869 D C -0.808 175.608 176.300 0.193 0.000 1.153 869 D CA -0.151 53.936 54.000 0.144 0.000 0.861 869 D CB 2.158 43.071 40.800 0.188 0.000 1.207 869 D HN 0.304 nan 8.370 nan 0.000 0.543 870 V N 2.150 122.216 119.914 0.253 0.000 2.581 870 V HA 0.401 4.537 4.120 0.028 0.000 0.303 870 V C -0.038 176.186 176.094 0.216 0.000 1.041 870 V CA -0.695 61.761 62.300 0.259 0.000 0.907 870 V CB 2.032 34.042 31.823 0.311 0.000 0.994 870 V HN 0.449 nan 8.190 nan 0.000 0.442 871 E N 2.235 122.545 120.200 0.182 0.000 2.187 871 E HA 0.596 4.963 4.350 0.028 0.000 0.268 871 E C -1.575 175.122 176.600 0.161 0.000 0.896 871 E CA -0.519 55.971 56.400 0.151 0.000 0.766 871 E CB 2.328 32.108 29.700 0.133 0.000 1.142 871 E HN 0.461 nan 8.360 nan 0.000 0.408 872 V N 2.705 122.722 119.914 0.171 0.000 2.378 872 V HA 0.353 4.489 4.120 0.028 0.000 0.288 872 V C 0.167 176.356 176.094 0.158 0.000 1.016 872 V CA -0.954 61.475 62.300 0.215 0.000 0.840 872 V CB 1.178 33.158 31.823 0.262 0.000 0.994 872 V HN 0.822 nan 8.190 nan 0.000 0.431 873 A N 3.813 126.691 122.820 0.096 0.000 2.566 873 A HA 0.228 4.564 4.320 0.028 0.000 0.245 873 A C 1.771 179.429 177.584 0.124 0.000 1.056 873 A CA 0.670 52.752 52.037 0.075 0.000 0.757 873 A CB 0.179 19.192 19.000 0.023 0.000 0.979 873 A HN 1.389 nan 8.150 nan 0.000 0.508 874 S N 1.684 117.452 115.700 0.113 0.000 2.402 874 S HA -0.229 4.257 4.470 0.028 0.000 0.233 874 S C 1.024 175.708 174.600 0.139 0.000 1.030 874 S CA 1.680 59.963 58.200 0.139 0.000 1.003 874 S CB -0.427 62.832 63.200 0.098 0.000 0.813 874 S HN 0.863 nan 8.310 nan 0.000 0.477 875 D N 0.139 120.595 120.400 0.093 0.000 2.328 875 D HA 0.157 4.814 4.640 0.028 0.000 0.226 875 D C 0.458 176.798 176.300 0.066 0.000 1.066 875 D CA 0.084 54.124 54.000 0.065 0.000 0.861 875 D CB -0.410 40.414 40.800 0.041 0.000 0.912 875 D HN 0.326 nan 8.370 nan 0.000 0.521 876 T N 1.379 116.000 114.554 0.111 0.000 2.902 876 T HA 0.407 4.774 4.350 0.028 0.000 0.283 876 T C -2.629 172.192 174.700 0.200 0.000 1.009 876 T CA -2.024 60.167 62.100 0.152 0.000 1.051 876 T CB 1.346 70.322 68.868 0.180 0.000 0.999 876 T HN -0.125 nan 8.240 nan 0.000 0.474 877 P HA 0.049 nan 4.420 nan 0.000 0.265 877 P C -0.583 177.047 177.300 0.550 0.000 1.187 877 P CA 0.126 63.360 63.100 0.222 0.000 0.766 877 P CB -0.010 31.830 31.700 0.233 0.000 0.820 878 H N 3.435 122.856 119.070 0.585 0.000 3.034 878 H HA 0.075 4.647 4.556 0.028 0.000 0.324 878 H C -1.614 174.020 175.328 0.511 0.000 1.015 878 H CA -1.390 54.936 56.048 0.464 0.000 1.429 878 H CB -0.477 29.510 29.762 0.376 0.000 1.429 878 H HN 0.361 nan 8.280 nan 0.000 0.585 879 P HA -0.005 nan 4.420 nan 0.000 0.274 879 P C 0.203 177.374 177.300 -0.215 0.000 1.231 879 P CA -0.227 62.908 63.100 0.058 0.000 0.790 879 P CB 0.905 32.486 31.700 -0.197 0.000 0.951 880 A N 3.162 125.594 122.820 -0.646 0.000 1.972 880 A HA -0.107 4.230 4.320 0.028 0.000 0.219 880 A C 0.947 178.122 177.584 -0.680 0.000 1.169 880 A CA 1.368 52.965 52.037 -0.734 0.000 0.635 880 A CB -0.550 17.835 19.000 -1.025 0.000 0.810 880 A HN 0.735 nan 8.150 nan 0.000 0.446 881 R N -2.650 117.508 120.500 -0.571 0.000 2.692 881 R HA 0.718 5.075 4.340 0.028 0.000 0.269 881 R C -1.738 174.346 176.300 -0.360 0.000 1.030 881 R CA -0.804 54.996 56.100 -0.501 0.000 0.882 881 R CB 0.847 30.843 30.300 -0.506 0.000 1.250 881 R HN -0.000 nan 8.270 nan 0.000 0.465 882 I N 1.511 121.907 120.570 -0.290 0.000 2.521 882 I HA 0.604 4.791 4.170 0.028 0.000 0.277 882 I C -0.311 175.600 176.117 -0.343 0.000 1.054 882 I CA -0.289 60.886 61.300 -0.209 0.000 1.117 882 I CB 1.718 39.651 38.000 -0.112 0.000 1.217 882 I HN 0.979 nan 8.210 nan 0.000 0.469 883 G N 5.559 114.081 108.800 -0.464 0.000 2.664 883 G HA2 0.757 4.734 3.960 0.028 0.000 0.303 883 G HA3 0.757 4.734 3.960 0.028 0.000 0.303 883 G C -1.625 173.091 174.900 -0.306 0.000 1.243 883 G CA -0.529 44.320 45.100 -0.419 0.000 0.826 883 G HN 0.236 nan 8.290 nan 0.000 0.498 884 L N 0.734 121.825 121.223 -0.222 0.000 2.327 884 L HA 0.672 5.029 4.340 0.028 0.000 0.258 884 L C -0.702 176.056 176.870 -0.186 0.000 1.024 884 L CA -1.093 53.650 54.840 -0.163 0.000 0.825 884 L CB 2.601 44.646 42.059 -0.022 0.000 1.386 884 L HN 0.845 nan 8.230 nan 0.000 0.417 885 N N 0.251 118.873 118.700 -0.131 0.000 2.825 885 N HA 0.713 5.470 4.740 0.028 0.000 0.253 885 N C -1.309 174.201 175.510 -0.001 0.000 1.426 885 N CA -0.518 52.484 53.050 -0.079 0.000 0.851 885 N CB 2.274 40.734 38.487 -0.045 0.000 1.470 885 N HN 0.902 nan 8.380 nan 0.000 0.517 886 C N -1.816 117.510 119.300 0.044 0.000 3.253 886 C HA 0.553 5.029 4.460 0.028 0.000 0.342 886 C C -1.464 173.398 174.990 -0.214 0.000 1.306 886 C CA -0.810 58.196 59.018 -0.019 0.000 1.207 886 C CB 0.865 28.599 27.740 -0.010 0.000 1.479 886 C HN 0.885 nan 8.230 nan 0.000 0.469 887 Q N 1.482 120.910 119.800 -0.620 0.000 2.400 887 Q HA 0.673 5.030 4.340 0.028 0.000 0.255 887 Q C -0.895 174.799 176.000 -0.511 0.000 1.008 887 Q CA -0.438 54.744 55.803 -1.035 0.000 0.841 887 Q CB 0.749 28.516 28.738 -1.618 0.000 1.220 887 Q HN 0.722 nan 8.270 nan 0.000 0.474 888 L N 2.217 123.248 121.223 -0.320 0.000 2.436 888 L HA 0.315 4.671 4.340 0.028 0.000 0.265 888 L C 1.294 178.082 176.870 -0.138 0.000 1.168 888 L CA -0.207 54.551 54.840 -0.136 0.000 0.815 888 L CB 0.605 42.688 42.059 0.040 0.000 1.109 888 L HN 0.752 nan 8.230 nan 0.000 0.462 889 A N 1.465 124.233 122.820 -0.087 0.000 1.969 889 A HA -0.108 4.229 4.320 0.028 0.000 0.218 889 A C 1.100 178.668 177.584 -0.027 0.000 1.169 889 A CA 0.818 52.806 52.037 -0.082 0.000 0.635 889 A CB -0.328 18.620 19.000 -0.088 0.000 0.810 889 A HN 0.830 nan 8.150 nan 0.000 0.445 890 Q N -0.334 119.492 119.800 0.042 0.000 2.260 890 Q HA 0.508 4.865 4.340 0.028 0.000 0.238 890 Q C -1.480 174.579 176.000 0.099 0.000 0.948 890 Q CA -0.423 55.408 55.803 0.047 0.000 0.895 890 Q CB 1.298 30.044 28.738 0.012 0.000 1.218 890 Q HN 0.089 nan 8.270 nan 0.000 0.470 891 V N 2.651 122.589 119.914 0.040 0.000 2.349 891 V HA 0.699 4.836 4.120 0.028 0.000 0.284 891 V C -0.526 175.571 176.094 0.005 0.000 1.014 891 V CA -0.277 62.068 62.300 0.075 0.000 0.826 891 V CB 0.631 32.472 31.823 0.029 0.000 1.009 891 V HN 0.889 nan 8.190 nan 0.000 0.431 892 A N 3.553 126.375 122.820 0.003 0.000 2.344 892 A HA 0.756 5.093 4.320 0.028 0.000 0.307 892 A C 0.779 178.380 177.584 0.029 0.000 1.151 892 A CA -0.451 51.507 52.037 -0.133 0.000 0.842 892 A CB 1.221 19.927 19.000 -0.490 0.000 1.350 892 A HN 0.685 nan 8.150 nan 0.000 0.459 893 E N -0.093 120.108 120.200 0.002 0.000 2.051 893 E HA -0.017 4.350 4.350 0.028 0.000 0.189 893 E C -0.010 176.650 176.600 0.100 0.000 0.979 893 E CA 0.691 57.120 56.400 0.048 0.000 0.803 893 E CB 0.068 29.780 29.700 0.020 0.000 0.761 893 E HN 0.413 nan 8.360 nan 0.000 0.451 894 R N 0.618 121.182 120.500 0.106 0.000 2.778 894 R HA 0.512 4.869 4.340 0.028 0.000 0.277 894 R C -0.549 175.915 176.300 0.273 0.000 0.977 894 R CA -0.784 55.414 56.100 0.163 0.000 0.950 894 R CB 1.840 32.210 30.300 0.117 0.000 1.165 894 R HN -0.138 nan 8.270 nan 0.000 0.474 895 V N 2.544 122.647 119.914 0.316 0.000 2.444 895 V HA 0.342 4.479 4.120 0.028 0.000 0.294 895 V C -0.244 176.123 176.094 0.455 0.000 1.022 895 V CA -0.857 61.675 62.300 0.386 0.000 0.850 895 V CB 1.719 33.705 31.823 0.271 0.000 0.992 895 V HN 0.651 nan 8.190 nan 0.000 0.426 896 N N 4.873 123.827 118.700 0.423 0.000 2.296 896 N HA 0.546 5.303 4.740 0.028 0.000 0.294 896 N C -1.409 174.367 175.510 0.445 0.000 1.033 896 N CA -0.469 52.804 53.050 0.372 0.000 0.839 896 N CB 2.660 41.251 38.487 0.174 0.000 1.395 896 N HN 0.805 nan 8.380 nan 0.000 0.479 897 W N 3.186 124.515 121.300 0.048 0.000 3.248 897 W HA 0.545 5.222 4.660 0.028 0.000 0.311 897 W C -2.217 174.255 176.519 -0.078 0.000 1.258 897 W CA -1.089 56.255 57.345 -0.002 0.000 1.191 897 W CB 0.678 30.143 29.460 0.009 0.000 1.389 897 W HN 0.262 nan 8.180 nan 0.000 0.561 898 L N 4.445 125.581 121.223 -0.144 0.000 2.301 898 L HA 0.923 5.279 4.340 0.028 0.000 0.278 898 L C 0.002 176.648 176.870 -0.374 0.000 1.022 898 L CA 0.437 54.998 54.840 -0.466 0.000 0.854 898 L CB 0.681 42.540 42.059 -0.334 0.000 1.226 898 L HN 0.990 nan 8.230 nan 0.000 0.429 899 G N 3.640 112.098 108.800 -0.570 0.000 2.364 899 G HA2 0.246 4.222 3.960 0.028 0.000 0.286 899 G HA3 0.246 4.222 3.960 0.028 0.000 0.286 899 G C -1.629 173.277 174.900 0.010 0.000 1.241 899 G CA -1.000 44.023 45.100 -0.130 0.000 0.887 899 G HN 0.418 nan 8.290 nan 0.000 0.484 900 L N 0.968 122.351 121.223 0.267 0.000 2.349 900 L HA 0.670 5.027 4.340 0.028 0.000 0.275 900 L C 1.024 178.020 176.870 0.210 0.000 1.115 900 L CA 0.654 55.622 54.840 0.213 0.000 0.820 900 L CB 0.859 42.990 42.059 0.120 0.000 1.135 900 L HN 1.184 nan 8.230 nan 0.000 0.445 901 G N 2.220 110.939 108.800 -0.135 0.000 2.348 901 G HA2 0.244 4.221 3.960 0.028 0.000 0.296 901 G HA3 0.244 4.221 3.960 0.028 0.000 0.296 901 G C -2.752 171.312 174.900 -1.392 0.000 1.258 901 G CA -0.292 44.376 45.100 -0.720 0.000 0.868 901 G HN 0.292 nan 8.290 nan 0.000 0.488 902 P HA 0.054 nan 4.420 nan 0.000 0.227 902 P C 0.579 177.681 177.300 -0.329 0.000 1.161 902 P CA 0.737 63.185 63.100 -1.086 0.000 0.788 902 P CB 0.318 31.546 31.700 -0.787 0.000 0.822 903 Q N 0.435 120.038 119.800 -0.328 0.000 2.396 903 Q HA 0.128 4.485 4.340 0.028 0.000 0.221 903 Q C 0.394 176.287 176.000 -0.179 0.000 1.025 903 Q CA -0.545 55.142 55.803 -0.193 0.000 0.946 903 Q CB 0.520 29.163 28.738 -0.159 0.000 1.224 903 Q HN 0.138 nan 8.270 nan 0.000 0.539 904 E N 1.193 121.294 120.200 -0.165 0.000 2.568 904 E HA -0.121 4.246 4.350 0.028 0.000 0.262 904 E C -1.092 175.433 176.600 -0.125 0.000 0.961 904 E CA 0.337 56.631 56.400 -0.176 0.000 0.945 904 E CB 0.254 29.916 29.700 -0.064 0.000 0.924 904 E HN 0.594 nan 8.360 nan 0.000 0.467 905 N N 2.439 120.999 118.700 -0.233 0.000 2.405 905 N HA 0.331 5.088 4.740 0.028 0.000 0.274 905 N C -1.874 173.428 175.510 -0.348 0.000 1.170 905 N CA -0.680 52.283 53.050 -0.144 0.000 0.848 905 N CB 0.700 39.112 38.487 -0.125 0.000 1.629 905 N HN 0.227 nan 8.380 nan 0.000 0.481 906 Y N -0.304 119.905 120.300 -0.152 0.000 2.633 906 Y HA 0.525 5.091 4.550 0.028 0.000 0.339 906 Y C -1.688 174.129 175.900 -0.138 0.000 1.045 906 Y CA -2.061 55.935 58.100 -0.172 0.000 1.098 906 Y CB 1.659 40.019 38.460 -0.167 0.000 1.296 906 Y HN 0.428 nan 8.280 nan 0.000 0.494 907 P HA -0.186 nan 4.420 nan 0.000 0.216 907 P C 0.559 177.637 177.300 -0.371 0.000 1.157 907 P CA 2.274 65.356 63.100 -0.030 0.000 0.880 907 P CB 0.192 31.988 31.700 0.159 0.000 0.791 908 D N -2.118 117.901 120.400 -0.634 0.000 2.340 908 D HA -0.051 4.606 4.640 0.028 0.000 0.220 908 D C 0.867 177.028 176.300 -0.233 0.000 1.039 908 D CA 0.350 53.853 54.000 -0.827 0.000 0.866 908 D CB -0.344 39.843 40.800 -1.022 0.000 0.913 908 D HN 0.138 nan 8.370 nan 0.000 0.523 909 R N 0.861 121.314 120.500 -0.078 0.000 2.653 909 R HA 0.239 4.596 4.340 0.028 0.000 0.269 909 R C -0.525 175.807 176.300 0.053 0.000 1.603 909 R CA -0.190 55.931 56.100 0.033 0.000 1.671 909 R CB 0.094 30.423 30.300 0.048 0.000 1.300 909 R HN 0.112 nan 8.270 nan 0.000 0.668 910 L N -1.542 119.716 121.223 0.058 0.000 3.360 910 L HA 0.321 4.678 4.340 0.028 0.000 0.303 910 L C 1.363 178.289 176.870 0.093 0.000 1.218 910 L CA 0.078 54.952 54.840 0.056 0.000 1.059 910 L CB 0.215 42.294 42.059 0.033 0.000 1.468 910 L HN 0.096 nan 8.230 nan 0.000 0.614 911 T N -2.575 112.063 114.554 0.140 0.000 2.915 911 T HA 0.040 4.407 4.350 0.028 0.000 0.269 911 T C 1.746 176.512 174.700 0.111 0.000 1.071 911 T CA 1.237 63.444 62.100 0.179 0.000 1.132 911 T CB -0.267 68.754 68.868 0.255 0.000 0.878 911 T HN 0.386 nan 8.240 nan 0.000 0.479 912 A N 1.429 124.322 122.820 0.123 0.000 2.067 912 A HA 0.666 5.003 4.320 0.028 0.000 0.217 912 A C 1.628 179.273 177.584 0.102 0.000 1.156 912 A CA 0.467 52.524 52.037 0.033 0.000 0.683 912 A CB -0.903 18.277 19.000 0.300 0.000 0.808 912 A HN 0.827 nan 8.150 nan 0.000 0.455 913 A N -1.146 121.696 122.820 0.035 0.000 2.406 913 A HA 0.437 4.774 4.320 0.028 0.000 0.243 913 A C 0.097 177.694 177.584 0.022 0.000 1.082 913 A CA 0.052 52.070 52.037 -0.032 0.000 0.786 913 A CB -0.123 18.849 19.000 -0.046 0.000 1.029 913 A HN 0.500 nan 8.150 nan 0.000 0.495 914 C N -0.200 119.110 119.300 0.017 0.000 2.614 914 C HA 0.578 5.054 4.460 0.028 0.000 0.320 914 C C -0.184 174.916 174.990 0.183 0.000 1.200 914 C CA -0.517 58.566 59.018 0.109 0.000 1.700 914 C CB 0.956 28.779 27.740 0.138 0.000 2.275 914 C HN 0.786 nan 8.230 nan 0.000 0.492 915 F N 3.201 123.014 119.950 -0.229 0.000 2.420 915 F HA 0.528 5.072 4.527 0.028 0.000 0.352 915 F C 0.310 175.806 175.800 -0.506 0.000 1.108 915 F CA 1.086 58.817 58.000 -0.450 0.000 1.162 915 F CB 0.111 38.486 39.000 -1.042 0.000 1.118 915 F HN 0.625 nan 8.300 nan 0.000 0.510 916 D N 3.078 122.896 120.400 -0.970 0.000 2.879 916 D HA 0.146 4.803 4.640 0.028 0.000 0.346 916 D C -1.752 173.684 176.300 -1.440 0.000 1.390 916 D CA -0.718 52.614 54.000 -1.114 0.000 0.838 916 D CB 1.419 41.509 40.800 -1.183 0.000 1.416 916 D HN 0.480 nan 8.370 nan 0.000 0.493 917 R N 0.852 120.577 120.500 -1.291 0.000 2.215 917 R HA 0.486 4.843 4.340 0.028 0.000 0.336 917 R C -1.399 174.166 176.300 -1.225 0.000 0.996 917 R CA -0.223 55.254 56.100 -1.037 0.000 0.847 917 R CB 0.027 29.964 30.300 -0.606 0.000 1.127 917 R HN 0.254 nan 8.270 nan 0.000 0.465 918 W N 2.465 123.240 121.300 -0.875 0.000 2.578 918 W HA 0.462 5.139 4.660 0.028 0.000 0.353 918 W C -0.280 175.912 176.519 -0.546 0.000 1.088 918 W CA -0.614 56.193 57.345 -0.898 0.000 1.235 918 W CB 1.467 29.949 29.460 -1.631 0.000 1.362 918 W HN 0.357 nan 8.180 nan 0.000 0.592 919 D N 2.257 122.673 120.400 0.027 0.000 2.613 919 D HA 0.384 5.041 4.640 0.028 0.000 0.230 919 D C -1.598 174.829 176.300 0.212 0.000 1.365 919 D CA -0.172 53.920 54.000 0.153 0.000 0.976 919 D CB 0.979 41.815 40.800 0.059 0.000 1.415 919 D HN 0.363 nan 8.370 nan 0.000 0.589 920 L N 3.325 124.738 121.223 0.316 0.000 2.350 920 L HA 0.569 4.926 4.340 0.028 0.000 0.260 920 L C -2.317 174.671 176.870 0.197 0.000 1.015 920 L CA -2.122 52.863 54.840 0.243 0.000 0.821 920 L CB 2.735 44.972 42.059 0.296 0.000 1.370 920 L HN 0.172 nan 8.230 nan 0.000 0.416 921 P HA 0.039 nan 4.420 nan 0.000 0.276 921 P C 0.677 178.049 177.300 0.119 0.000 1.230 921 P CA -0.377 62.792 63.100 0.115 0.000 0.776 921 P CB 1.163 32.912 31.700 0.081 0.000 0.888 922 L N 3.950 125.251 121.223 0.129 0.000 2.123 922 L HA -0.331 4.026 4.340 0.028 0.000 0.217 922 L C 2.299 179.208 176.870 0.066 0.000 1.081 922 L CA 3.010 57.916 54.840 0.110 0.000 0.772 922 L CB -1.324 40.816 42.059 0.136 0.000 0.890 922 L HN 0.491 nan 8.230 nan 0.000 0.437 923 S N -1.942 113.799 115.700 0.069 0.000 2.383 923 S HA -0.172 4.315 4.470 0.028 0.000 0.227 923 S C 1.625 176.287 174.600 0.104 0.000 1.026 923 S CA 1.054 59.307 58.200 0.089 0.000 0.981 923 S CB -0.781 62.470 63.200 0.085 0.000 0.818 923 S HN 0.531 nan 8.310 nan 0.000 0.472 924 D N 1.072 121.512 120.400 0.066 0.000 2.392 924 D HA 0.083 4.739 4.640 0.028 0.000 0.228 924 D C 1.003 177.299 176.300 -0.006 0.000 1.003 924 D CA 0.547 54.564 54.000 0.028 0.000 0.917 924 D CB -0.128 40.696 40.800 0.041 0.000 0.890 924 D HN 0.370 nan 8.370 nan 0.000 0.532 925 M N -0.665 118.941 119.600 0.010 0.000 2.431 925 M HA 0.077 4.574 4.480 0.028 0.000 0.237 925 M C -0.095 176.197 176.300 -0.013 0.000 1.130 925 M CA -0.158 55.102 55.300 -0.067 0.000 1.002 925 M CB -0.711 31.841 32.600 -0.079 0.000 1.524 925 M HN -0.053 nan 8.290 nan 0.000 0.482 926 Y N -0.068 120.185 120.300 -0.078 0.000 2.364 926 Y HA 0.503 5.070 4.550 0.028 0.000 0.340 926 Y C -0.717 175.138 175.900 -0.075 0.000 0.975 926 Y CA -0.774 57.302 58.100 -0.040 0.000 1.089 926 Y CB 1.344 39.831 38.460 0.044 0.000 1.192 926 Y HN -0.130 nan 8.280 nan 0.000 0.454 927 T N 9.238 123.285 114.554 -0.845 0.000 2.821 927 T HA 0.274 4.641 4.350 0.028 0.000 0.307 927 T C -2.783 171.168 174.700 -1.249 0.000 1.034 927 T CA -1.510 60.053 62.100 -0.895 0.000 0.953 927 T CB 0.849 69.288 68.868 -0.714 0.000 0.968 927 T HN 0.431 nan 8.240 nan 0.000 0.462 928 P HA 0.112 nan 4.420 nan 0.000 0.241 928 P C -0.730 176.452 177.300 -0.196 0.000 1.760 928 P CA -0.355 62.366 63.100 -0.631 0.000 1.081 928 P CB -0.708 30.801 31.700 -0.318 0.000 1.975 929 Y N 0.267 120.505 120.300 -0.103 0.000 2.511 929 Y HA -0.066 4.501 4.550 0.028 0.000 0.332 929 Y C 2.254 178.199 175.900 0.075 0.000 1.177 929 Y CA -0.441 57.646 58.100 -0.022 0.000 1.422 929 Y CB 0.538 38.920 38.460 -0.129 0.000 1.271 929 Y HN -0.028 nan 8.280 nan 0.000 0.550 930 V N 3.400 123.520 119.914 0.343 0.000 2.278 930 V HA -0.331 3.806 4.120 0.028 0.000 0.251 930 V C 0.622 176.870 176.094 0.257 0.000 1.062 930 V CA 1.590 64.072 62.300 0.303 0.000 1.038 930 V CB -0.592 31.435 31.823 0.340 0.000 0.646 930 V HN 0.617 nan 8.190 nan 0.000 0.447 931 F N 3.303 123.290 119.950 0.062 0.000 2.350 931 F HA 0.501 5.045 4.527 0.028 0.000 0.365 931 F C -2.438 173.366 175.800 0.007 0.000 1.122 931 F CA -3.283 54.700 58.000 -0.029 0.000 1.139 931 F CB 0.710 39.588 39.000 -0.204 0.000 1.220 931 F HN -0.013 nan 8.300 nan 0.000 0.499 932 P HA 0.258 nan 4.420 nan 0.000 0.271 932 P C -1.075 175.846 177.300 -0.630 0.000 1.218 932 P CA 0.013 62.847 63.100 -0.443 0.000 0.780 932 P CB 1.413 32.920 31.700 -0.322 0.000 0.901 933 S N -0.151 115.407 115.700 -0.237 0.000 2.672 933 S HA 0.408 4.895 4.470 0.028 0.000 0.271 933 S C -0.807 173.779 174.600 -0.023 0.000 1.171 933 S CA -0.965 57.156 58.200 -0.132 0.000 0.817 933 S CB 0.570 63.731 63.200 -0.064 0.000 1.150 933 S HN 0.310 nan 8.310 nan 0.000 0.478 934 E N 1.244 121.443 120.200 -0.001 0.000 2.558 934 E HA 0.324 4.691 4.350 0.028 0.000 0.255 934 E C -0.153 176.495 176.600 0.081 0.000 0.968 934 E CA 0.710 57.136 56.400 0.043 0.000 0.939 934 E CB -0.410 29.337 29.700 0.079 0.000 0.921 934 E HN 0.745 nan 8.360 nan 0.000 0.477 935 N N 1.982 120.761 118.700 0.131 0.000 2.934 935 N HA 0.556 5.313 4.740 0.028 0.000 0.253 935 N C 0.409 175.974 175.510 0.091 0.000 1.466 935 N CA -0.543 52.625 53.050 0.197 0.000 0.858 935 N CB 0.949 39.564 38.487 0.213 0.000 1.459 935 N HN 0.648 nan 8.380 nan 0.000 0.532 936 G N -1.419 107.398 108.800 0.027 0.000 2.212 936 G HA2 -0.278 3.699 3.960 0.028 0.000 0.266 936 G HA3 -0.278 3.699 3.960 0.028 0.000 0.266 936 G C -0.117 174.534 174.900 -0.414 0.000 0.978 936 G CA 0.413 45.412 45.100 -0.169 0.000 0.632 936 G HN 0.711 nan 8.290 nan 0.000 0.537 937 L N 0.292 121.203 121.223 -0.520 0.000 2.554 937 L HA 0.516 4.873 4.340 0.028 0.000 0.293 937 L C 0.759 177.050 176.870 -0.966 0.000 1.252 937 L CA 0.908 55.180 54.840 -0.946 0.000 0.862 937 L CB 0.431 41.585 42.059 -1.508 0.000 1.113 937 L HN 0.331 nan 8.230 nan 0.000 0.510 938 R N 2.529 122.381 120.500 -1.080 0.000 2.538 938 R HA 0.470 4.827 4.340 0.028 0.000 0.292 938 R C -1.116 174.829 176.300 -0.591 0.000 1.008 938 R CA -0.331 55.263 56.100 -0.843 0.000 0.896 938 R CB 1.418 31.085 30.300 -1.055 0.000 1.187 938 R HN 0.672 nan 8.270 nan 0.000 0.440 939 C N 0.601 119.707 119.300 -0.323 0.000 2.354 939 C HA 0.725 5.202 4.460 0.028 0.000 0.381 939 C C 1.291 176.264 174.990 -0.028 0.000 1.240 939 C CA 0.093 59.002 59.018 -0.181 0.000 2.089 939 C CB 1.347 29.001 27.740 -0.143 0.000 2.234 939 C HN 1.042 nan 8.230 nan 0.000 0.544 940 G N 1.878 110.669 108.800 -0.015 0.000 2.305 940 G HA2 -0.187 3.790 3.960 0.028 0.000 0.287 940 G HA3 -0.187 3.790 3.960 0.028 0.000 0.287 940 G C -0.064 174.878 174.900 0.070 0.000 1.036 940 G CA 0.516 45.650 45.100 0.056 0.000 0.887 940 G HN 0.806 nan 8.290 nan 0.000 0.505 941 T N 0.123 114.590 114.554 -0.145 0.000 2.771 941 T HA 0.499 4.866 4.350 0.028 0.000 0.291 941 T C 1.374 175.664 174.700 -0.683 0.000 0.954 941 T CA -0.581 61.348 62.100 -0.285 0.000 1.045 941 T CB 1.372 70.133 68.868 -0.178 0.000 0.917 941 T HN 0.221 nan 8.240 nan 0.000 0.484 942 R N 1.624 121.989 120.500 -0.226 0.000 2.225 942 R HA 0.284 4.640 4.340 0.028 0.000 0.194 942 R C 0.614 176.923 176.300 0.014 0.000 0.957 942 R CA 0.293 56.349 56.100 -0.074 0.000 1.042 942 R CB 0.288 30.688 30.300 0.166 0.000 1.004 942 R HN 0.701 nan 8.270 nan 0.000 0.509 943 E N 0.387 120.604 120.200 0.028 0.000 2.321 943 E HA 0.374 4.741 4.350 0.028 0.000 0.278 943 E C -1.829 174.906 176.600 0.224 0.000 0.902 943 E CA -0.701 55.807 56.400 0.180 0.000 0.758 943 E CB 1.550 31.326 29.700 0.127 0.000 1.213 943 E HN -0.085 nan 8.360 nan 0.000 0.426 944 L N 3.807 125.226 121.223 0.325 0.000 2.431 944 L HA 0.610 4.967 4.340 0.028 0.000 0.266 944 L C -1.908 175.171 176.870 0.349 0.000 0.978 944 L CA -0.369 54.606 54.840 0.224 0.000 0.822 944 L CB 1.923 43.944 42.059 -0.064 0.000 1.310 944 L HN 0.509 nan 8.230 nan 0.000 0.409 945 N N 4.170 123.049 118.700 0.299 0.000 2.258 945 N HA 0.461 5.218 4.740 0.028 0.000 0.299 945 N C -2.050 173.708 175.510 0.414 0.000 1.047 945 N CA -0.290 52.941 53.050 0.303 0.000 0.814 945 N CB 2.477 41.068 38.487 0.174 0.000 1.413 945 N HN 0.666 nan 8.380 nan 0.000 0.478 946 Y N 0.814 121.266 120.300 0.252 0.000 2.313 946 Y HA 0.378 4.945 4.550 0.028 0.000 0.320 946 Y C 0.531 176.546 175.900 0.191 0.000 1.171 946 Y CA 0.302 58.545 58.100 0.239 0.000 1.093 946 Y CB 0.517 39.170 38.460 0.322 0.000 1.224 946 Y HN 0.859 nan 8.280 nan 0.000 0.421 947 G N 6.275 114.818 108.800 -0.428 0.000 2.591 947 G HA2 -0.312 3.664 3.960 0.028 0.000 0.298 947 G HA3 -0.312 3.664 3.960 0.028 0.000 0.298 947 G C -1.740 173.036 174.900 -0.206 0.000 1.195 947 G CA 0.185 45.073 45.100 -0.354 0.000 0.989 947 G HN 0.598 nan 8.290 nan 0.000 0.551 948 P HA 0.154 nan 4.420 nan 0.000 0.240 948 P C 0.331 177.361 177.300 -0.450 0.000 1.190 948 P CA 0.771 63.646 63.100 -0.374 0.000 0.781 948 P CB 0.009 31.403 31.700 -0.510 0.000 0.931 949 H N 0.444 119.427 119.070 -0.144 0.000 2.511 949 H HA 0.439 5.012 4.556 0.028 0.000 0.346 949 H C 0.001 175.053 175.328 -0.459 0.000 1.128 949 H CA 0.055 55.882 56.048 -0.367 0.000 1.342 949 H CB 1.528 30.837 29.762 -0.755 0.000 1.470 949 H HN 0.074 nan 8.280 nan 0.000 0.546 950 Q N 2.591 122.136 119.800 -0.424 0.000 2.271 950 Q HA 0.238 4.595 4.340 0.028 0.000 0.268 950 Q C -1.700 174.132 176.000 -0.281 0.000 1.021 950 Q CA -0.677 55.009 55.803 -0.195 0.000 0.802 950 Q CB 2.059 30.791 28.738 -0.010 0.000 1.282 950 Q HN 0.600 nan 8.270 nan 0.000 0.431 951 W N 3.909 125.183 121.300 -0.043 0.000 2.702 951 W HA 0.589 5.266 4.660 0.028 0.000 0.331 951 W C -0.231 176.369 176.519 0.135 0.000 1.049 951 W CA -0.859 56.427 57.345 -0.098 0.000 1.230 951 W CB 2.025 31.228 29.460 -0.429 0.000 1.408 951 W HN 0.504 nan 8.180 nan 0.000 0.492 952 R N 0.715 121.463 120.500 0.413 0.000 2.803 952 R HA 0.819 5.176 4.340 0.028 0.000 0.276 952 R C 0.185 176.786 176.300 0.501 0.000 0.978 952 R CA -0.535 55.825 56.100 0.433 0.000 0.939 952 R CB 2.335 32.799 30.300 0.274 0.000 1.179 952 R HN 0.761 nan 8.270 nan 0.000 0.472 953 G N 0.617 109.705 108.800 0.479 0.000 2.534 953 G HA2 -0.003 3.973 3.960 0.028 0.000 0.142 953 G HA3 -0.003 3.973 3.960 0.028 0.000 0.142 953 G C -1.791 173.258 174.900 0.249 0.000 1.178 953 G CA -0.381 44.967 45.100 0.414 0.000 1.037 953 G HN 0.501 nan 8.290 nan 0.000 0.474 954 D N 0.095 120.655 120.400 0.267 0.000 2.328 954 D HA 0.605 5.261 4.640 0.028 0.000 0.243 954 D C -0.607 175.713 176.300 0.033 0.000 1.324 954 D CA -0.436 53.578 54.000 0.023 0.000 0.966 954 D CB 0.173 41.024 40.800 0.086 0.000 1.324 954 D HN 0.568 nan 8.370 nan 0.000 0.549 955 F N -0.244 119.705 119.950 -0.002 0.000 2.950 955 F HA 0.704 5.248 4.527 0.028 0.000 0.327 955 F C -1.074 174.685 175.800 -0.069 0.000 1.197 955 F CA -1.069 56.867 58.000 -0.107 0.000 0.954 955 F CB 0.613 39.537 39.000 -0.126 0.000 1.442 955 F HN -0.158 nan 8.300 nan 0.000 0.509 956 Q N 1.453 121.344 119.800 0.152 0.000 2.345 956 Q HA 0.650 5.006 4.340 0.028 0.000 0.268 956 Q C -1.298 174.742 176.000 0.067 0.000 1.054 956 Q CA -0.527 55.264 55.803 -0.020 0.000 0.835 956 Q CB 2.658 31.263 28.738 -0.222 0.000 1.339 956 Q HN 0.831 nan 8.270 nan 0.000 0.447 957 F N -1.079 118.731 119.950 -0.233 0.000 2.668 957 F HA 0.744 5.288 4.527 0.028 0.000 0.309 957 F C -1.439 174.126 175.800 -0.392 0.000 1.117 957 F CA -1.112 56.706 58.000 -0.304 0.000 0.951 957 F CB 1.602 40.427 39.000 -0.292 0.000 1.323 957 F HN 0.538 nan 8.300 nan 0.000 0.451 958 N N 1.784 120.288 118.700 -0.327 0.000 2.229 958 N HA 0.726 5.483 4.740 0.028 0.000 0.298 958 N C -2.119 173.310 175.510 -0.136 0.000 1.114 958 N CA -0.724 52.124 53.050 -0.337 0.000 0.776 958 N CB 2.601 40.890 38.487 -0.331 0.000 1.501 958 N HN 1.118 nan 8.380 nan 0.000 0.474 959 I N 0.802 121.289 120.570 -0.139 0.000 2.610 959 I HA 0.675 4.861 4.170 0.028 0.000 0.289 959 I C -1.374 174.656 176.117 -0.146 0.000 1.163 959 I CA 0.091 61.287 61.300 -0.173 0.000 1.044 959 I CB 1.257 39.086 38.000 -0.285 0.000 1.251 959 I HN 1.032 nan 8.210 nan 0.000 0.424 960 S N 6.189 121.818 115.700 -0.119 0.000 2.655 960 S HA 0.519 5.006 4.470 0.028 0.000 0.266 960 S C -0.157 174.330 174.600 -0.189 0.000 1.149 960 S CA -0.960 57.154 58.200 -0.142 0.000 0.818 960 S CB 1.682 64.856 63.200 -0.044 0.000 1.130 960 S HN 0.606 nan 8.310 nan 0.000 0.476 961 R N -0.163 120.049 120.500 -0.480 0.000 2.320 961 R HA 0.250 4.607 4.340 0.028 0.000 0.211 961 R C -0.785 175.243 176.300 -0.454 0.000 0.931 961 R CA 0.299 56.112 56.100 -0.478 0.000 1.071 961 R CB -0.939 28.966 30.300 -0.658 0.000 1.025 961 R HN 0.665 nan 8.270 nan 0.000 0.495 962 Y N 0.376 120.648 120.300 -0.047 0.000 2.352 962 Y HA 0.215 4.782 4.550 0.028 0.000 0.339 962 Y C 0.843 176.551 175.900 -0.319 0.000 0.992 962 Y CA -1.120 56.879 58.100 -0.169 0.000 1.100 962 Y CB 1.338 39.647 38.460 -0.253 0.000 1.192 962 Y HN -0.104 nan 8.280 nan 0.000 0.458 963 S N 1.541 116.960 115.700 -0.468 0.000 2.603 963 S HA 0.062 4.548 4.470 0.028 0.000 0.268 963 S C 0.847 175.121 174.600 -0.544 0.000 1.317 963 S CA -0.822 56.731 58.200 -1.079 0.000 1.012 963 S CB 1.197 63.640 63.200 -1.262 0.000 0.926 963 S HN 0.723 nan 8.310 nan 0.000 0.539 964 Q N 0.577 120.047 119.800 -0.550 0.000 2.170 964 Q HA -0.169 4.188 4.340 0.028 0.000 0.203 964 Q C 2.160 178.021 176.000 -0.232 0.000 0.976 964 Q CA 1.552 57.178 55.803 -0.296 0.000 0.858 964 Q CB -0.439 28.161 28.738 -0.230 0.000 0.907 964 Q HN 0.900 nan 8.270 nan 0.000 0.433 965 Q N 0.538 120.166 119.800 -0.288 0.000 2.020 965 Q HA -0.209 4.148 4.340 0.028 0.000 0.202 965 Q C 2.178 178.082 176.000 -0.160 0.000 0.982 965 Q CA 1.477 57.174 55.803 -0.178 0.000 0.838 965 Q CB 0.058 28.687 28.738 -0.181 0.000 0.899 965 Q HN 0.397 nan 8.270 nan 0.000 0.423 966 Q N 0.225 119.902 119.800 -0.205 0.000 1.975 966 Q HA -0.216 4.141 4.340 0.028 0.000 0.205 966 Q C 2.246 178.134 176.000 -0.187 0.000 0.990 966 Q CA 1.662 57.358 55.803 -0.177 0.000 0.845 966 Q CB -0.265 28.346 28.738 -0.212 0.000 0.913 966 Q HN 0.436 nan 8.270 nan 0.000 0.420 967 L N 0.512 121.610 121.223 -0.208 0.000 1.991 967 L HA -0.285 4.072 4.340 0.028 0.000 0.221 967 L C 2.846 179.596 176.870 -0.201 0.000 1.079 967 L CA 2.131 56.845 54.840 -0.211 0.000 0.778 967 L CB -0.734 41.231 42.059 -0.155 0.000 0.893 967 L HN 0.581 nan 8.230 nan 0.000 0.437 968 M N -0.737 118.776 119.600 -0.145 0.000 2.632 968 M HA -0.135 4.361 4.480 0.028 0.000 0.256 968 M C 1.094 177.332 176.300 -0.104 0.000 1.080 968 M CA 1.621 56.853 55.300 -0.113 0.000 1.084 968 M CB -0.183 32.383 32.600 -0.057 0.000 1.439 968 M HN 0.214 nan 8.290 nan 0.000 0.509 969 E N 0.569 120.705 120.200 -0.107 0.000 2.481 969 E HA 0.142 4.509 4.350 0.028 0.000 0.198 969 E C -0.380 176.181 176.600 -0.065 0.000 1.027 969 E CA -0.016 56.343 56.400 -0.068 0.000 0.900 969 E CB 0.628 30.299 29.700 -0.049 0.000 0.993 969 E HN 0.397 nan 8.360 nan 0.000 0.482 970 T N 0.237 114.721 114.554 -0.115 0.000 2.859 970 T HA 0.134 4.501 4.350 0.028 0.000 0.281 970 T C 1.139 175.785 174.700 -0.091 0.000 1.005 970 T CA -0.493 61.547 62.100 -0.099 0.000 1.025 970 T CB 1.772 70.547 68.868 -0.154 0.000 0.977 970 T HN 0.041 nan 8.240 nan 0.000 0.458 971 S N 1.374 117.116 115.700 0.071 0.000 2.439 971 S HA 0.064 4.550 4.470 0.028 0.000 0.224 971 S C 0.255 174.988 174.600 0.222 0.000 1.029 971 S CA 0.341 58.688 58.200 0.246 0.000 0.946 971 S CB -0.281 63.183 63.200 0.440 0.000 0.797 971 S HN 0.745 nan 8.310 nan 0.000 0.504 972 H N 0.741 119.884 119.070 0.122 0.000 2.679 972 H HA 0.522 5.095 4.556 0.028 0.000 0.360 972 H C 1.011 176.384 175.328 0.075 0.000 1.105 972 H CA -0.648 55.543 56.048 0.238 0.000 1.196 972 H CB 1.575 31.544 29.762 0.344 0.000 1.636 972 H HN 0.189 nan 8.280 nan 0.000 0.531 973 R N 2.231 122.879 120.500 0.247 0.000 2.117 973 R HA -0.218 4.139 4.340 0.028 0.000 0.243 973 R C 1.225 177.577 176.300 0.086 0.000 1.143 973 R CA 2.076 58.246 56.100 0.115 0.000 0.968 973 R CB -0.539 29.858 30.300 0.163 0.000 0.863 973 R HN 0.800 nan 8.270 nan 0.000 0.444 974 H N 1.114 120.224 119.070 0.066 0.000 2.489 974 H HA -0.036 4.537 4.556 0.028 0.000 0.293 974 H C 1.604 176.878 175.328 -0.089 0.000 1.066 974 H CA 1.108 57.155 56.048 -0.001 0.000 1.305 974 H CB -0.344 29.419 29.762 0.002 0.000 1.386 974 H HN 0.350 nan 8.280 nan 0.000 0.551 975 L N 0.854 121.723 121.223 -0.589 0.000 2.592 975 L HA 0.194 4.551 4.340 0.028 0.000 0.227 975 L C 0.704 177.436 176.870 -0.229 0.000 1.127 975 L CA -0.207 54.329 54.840 -0.507 0.000 0.884 975 L CB -0.016 41.710 42.059 -0.555 0.000 1.065 975 L HN 0.020 nan 8.230 nan 0.000 0.457 976 L N 0.635 121.723 121.223 -0.224 0.000 2.473 976 L HA 0.113 4.470 4.340 0.028 0.000 0.268 976 L C 0.273 177.101 176.870 -0.070 0.000 1.215 976 L CA -0.011 54.659 54.840 -0.284 0.000 0.823 976 L CB 0.158 41.785 42.059 -0.720 0.000 1.099 976 L HN 0.197 nan 8.230 nan 0.000 0.483 977 H N 0.999 120.064 119.070 -0.009 0.000 2.759 977 H HA 0.550 5.123 4.556 0.028 0.000 0.354 977 H C -0.849 174.615 175.328 0.227 0.000 1.074 977 H CA -1.192 54.912 56.048 0.093 0.000 1.226 977 H CB 1.219 30.991 29.762 0.017 0.000 1.648 977 H HN 0.710 nan 8.280 nan 0.000 0.529 978 A N 4.099 127.039 122.820 0.201 0.000 2.566 978 A HA 0.048 4.385 4.320 0.028 0.000 0.245 978 A C 0.387 178.000 177.584 0.049 0.000 1.056 978 A CA 0.060 52.086 52.037 -0.019 0.000 0.757 978 A CB -0.170 18.790 19.000 -0.067 0.000 0.979 978 A HN 0.836 nan 8.150 nan 0.000 0.508 979 E N 1.471 121.674 120.200 0.005 0.000 2.322 979 E HA 0.208 4.575 4.350 0.028 0.000 0.257 979 E C -0.072 176.555 176.600 0.044 0.000 1.155 979 E CA -0.734 55.732 56.400 0.109 0.000 0.936 979 E CB 0.684 30.532 29.700 0.247 0.000 1.130 979 E HN 0.788 nan 8.360 nan 0.000 0.465 980 E N 0.174 120.396 120.200 0.037 0.000 2.384 980 E HA 0.186 4.553 4.350 0.028 0.000 0.266 980 E C 0.360 176.901 176.600 -0.098 0.000 1.012 980 E CA 0.625 57.010 56.400 -0.024 0.000 0.901 980 E CB 0.396 30.082 29.700 -0.024 0.000 0.967 980 E HN 0.672 nan 8.360 nan 0.000 0.435 981 G N 3.035 111.783 108.800 -0.087 0.000 2.598 981 G HA2 -0.242 3.735 3.960 0.028 0.000 0.244 981 G HA3 -0.242 3.735 3.960 0.028 0.000 0.244 981 G C -0.589 174.235 174.900 -0.126 0.000 1.302 981 G CA -0.100 44.933 45.100 -0.111 0.000 0.903 981 G HN 0.606 nan 8.290 nan 0.000 0.575 982 T N 0.022 114.474 114.554 -0.170 0.000 2.928 982 T HA 0.491 4.858 4.350 0.028 0.000 0.296 982 T C -0.803 173.733 174.700 -0.273 0.000 1.000 982 T CA -0.214 61.789 62.100 -0.161 0.000 0.989 982 T CB 1.413 70.241 68.868 -0.068 0.000 1.005 982 T HN 0.581 nan 8.240 nan 0.000 0.442 983 W N 3.104 124.308 121.300 -0.161 0.000 2.311 983 W HA 0.567 5.244 4.660 0.028 0.000 0.310 983 W C -0.230 176.159 176.519 -0.217 0.000 1.274 983 W CA -0.653 56.597 57.345 -0.160 0.000 1.215 983 W CB 0.632 30.010 29.460 -0.137 0.000 1.227 983 W HN 0.349 nan 8.180 nan 0.000 0.523 984 L N 5.881 127.101 121.223 -0.005 0.000 2.325 984 L HA 0.470 4.827 4.340 0.028 0.000 0.281 984 L C -0.943 175.834 176.870 -0.154 0.000 1.004 984 L CA -0.492 54.237 54.840 -0.185 0.000 0.823 984 L CB 0.715 42.552 42.059 -0.370 0.000 1.236 984 L HN 0.307 nan 8.230 nan 0.000 0.415 985 N N 6.935 125.520 118.700 -0.192 0.000 2.518 985 N HA 0.420 5.177 4.740 0.028 0.000 0.254 985 N C -1.116 174.237 175.510 -0.262 0.000 0.979 985 N CA -0.223 52.707 53.050 -0.199 0.000 0.930 985 N CB 2.049 40.445 38.487 -0.152 0.000 1.152 985 N HN 0.534 nan 8.380 nan 0.000 0.505 986 I N 1.825 122.189 120.570 -0.343 0.000 2.355 986 I HA 0.226 4.413 4.170 0.028 0.000 0.288 986 I C -0.528 175.382 176.117 -0.346 0.000 0.999 986 I CA -0.472 60.580 61.300 -0.413 0.000 1.163 986 I CB 1.386 38.962 38.000 -0.706 0.000 1.316 986 I HN 0.155 nan 8.210 nan 0.000 0.454 987 D N 4.504 124.743 120.400 -0.269 0.000 2.256 987 D HA 0.295 4.952 4.640 0.028 0.000 0.246 987 D C 0.905 176.910 176.300 -0.491 0.000 1.042 987 D CA -0.218 53.569 54.000 -0.356 0.000 0.841 987 D CB 2.490 43.173 40.800 -0.194 0.000 1.223 987 D HN 0.678 nan 8.370 nan 0.000 0.470 988 G N 1.267 109.493 108.800 -0.957 0.000 2.394 988 G HA2 -0.032 3.945 3.960 0.028 0.000 0.214 988 G HA3 -0.032 3.945 3.960 0.028 0.000 0.214 988 G C 0.137 174.415 174.900 -1.037 0.000 1.176 988 G CA 0.620 45.024 45.100 -1.160 0.000 0.786 988 G HN 0.375 nan 8.290 nan 0.000 0.533 989 F N -2.001 117.753 119.950 -0.327 0.000 2.588 989 F HA 0.659 5.203 4.527 0.028 0.000 0.314 989 F C -0.399 175.312 175.800 -0.147 0.000 1.069 989 F CA -1.125 56.769 58.000 -0.177 0.000 0.931 989 F CB 2.259 41.088 39.000 -0.284 0.000 1.260 989 F HN 0.072 nan 8.300 nan 0.000 0.465 990 H N 1.331 120.403 119.070 0.004 0.000 2.894 990 H HA 0.490 5.063 4.556 0.028 0.000 0.367 990 H C -0.821 174.523 175.328 0.026 0.000 1.144 990 H CA -0.904 55.120 56.048 -0.040 0.000 1.180 990 H CB 1.824 31.548 29.762 -0.063 0.000 1.758 990 H HN 0.755 nan 8.280 nan 0.000 0.541 991 M N 3.319 122.811 119.600 -0.181 0.000 2.248 991 M HA 0.259 4.756 4.480 0.028 0.000 0.337 991 M C 0.485 176.875 176.300 0.149 0.000 1.121 991 M CA 0.367 55.652 55.300 -0.024 0.000 1.155 991 M CB 0.299 32.791 32.600 -0.179 0.000 1.514 991 M HN 0.850 nan 8.290 nan 0.000 0.452 992 G N 3.246 112.122 108.800 0.127 0.000 2.699 992 G HA2 0.268 4.244 3.960 0.028 0.000 0.246 992 G HA3 0.268 4.244 3.960 0.028 0.000 0.246 992 G C 0.605 175.495 174.900 -0.017 0.000 1.219 992 G CA -0.386 44.734 45.100 0.032 0.000 0.866 992 G HN 0.987 nan 8.290 nan 0.000 0.572 993 I N -1.583 118.935 120.570 -0.086 0.000 3.645 993 I HA 0.414 4.600 4.170 0.028 0.000 0.300 993 I C 1.174 177.242 176.117 -0.081 0.000 1.260 993 I CA 0.436 61.650 61.300 -0.144 0.000 1.365 993 I CB -0.534 37.273 38.000 -0.322 0.000 1.077 993 I HN 0.937 nan 8.210 nan 0.000 0.439 994 G N 1.521 110.298 108.800 -0.038 0.000 2.697 994 G HA2 0.016 3.993 3.960 0.028 0.000 0.240 994 G HA3 0.016 3.993 3.960 0.028 0.000 0.240 994 G C 0.520 175.438 174.900 0.030 0.000 1.346 994 G CA 0.114 45.229 45.100 0.025 0.000 0.887 994 G HN 1.287 nan 8.290 nan 0.000 0.569 995 G N -2.542 106.293 108.800 0.058 0.000 3.272 995 G HA2 0.051 4.027 3.960 0.028 0.000 0.219 995 G HA3 0.051 4.027 3.960 0.028 0.000 0.219 995 G C 0.684 175.664 174.900 0.133 0.000 0.952 995 G CA 0.975 46.122 45.100 0.078 0.000 0.833 995 G HN 0.903 nan 8.290 nan 0.000 0.608 996 D N 1.338 121.835 120.400 0.161 0.000 2.172 996 D HA 0.034 4.690 4.640 0.028 0.000 0.196 996 D C 1.017 177.384 176.300 0.112 0.000 0.999 996 D CA 2.171 56.321 54.000 0.250 0.000 0.856 996 D CB 0.095 41.047 40.800 0.255 0.000 0.934 996 D HN 0.774 nan 8.370 nan 0.000 0.453 997 D N -3.228 117.037 120.400 -0.225 0.000 2.626 997 D HA 0.361 5.017 4.640 0.028 0.000 0.278 997 D C -0.805 175.049 176.300 -0.743 0.000 1.211 997 D CA -0.757 52.718 54.000 -0.876 0.000 0.903 997 D CB 1.030 40.807 40.800 -1.705 0.000 1.408 997 D HN -0.296 nan 8.370 nan 0.000 0.454 998 S N -0.514 114.610 115.700 -0.960 0.000 2.624 998 S HA 0.250 4.737 4.470 0.028 0.000 0.246 998 S C -0.674 174.009 174.600 0.139 0.000 1.072 998 S CA -0.693 57.429 58.200 -0.130 0.000 1.045 998 S CB -0.583 62.781 63.200 0.274 0.000 0.851 998 S HN 0.618 nan 8.310 nan 0.000 0.480 999 W N 0.771 122.030 121.300 -0.067 0.000 1.737 999 W HA 0.535 5.211 4.660 0.027 0.000 0.262 999 W C -0.115 176.356 176.519 -0.080 0.000 0.852 999 W CA -0.609 56.684 57.345 -0.087 0.000 1.462 999 W CB -0.621 28.707 29.460 -0.220 0.000 1.005 999 W HN 0.165 nan 8.180 nan 0.000 0.472 1000 S N -1.067 114.524 115.700 -0.182 0.000 2.550 1000 S HA 0.632 5.119 4.470 0.028 0.000 0.270 1000 S C -3.123 171.425 174.600 -0.087 0.000 1.145 1000 S CA -1.604 56.533 58.200 -0.105 0.000 0.852 1000 S CB 1.754 64.905 63.200 -0.081 0.000 1.119 1000 S HN -0.204 nan 8.310 nan 0.000 0.465 1001 P HA 0.176 nan 4.420 nan 0.000 0.262 1001 P C 0.411 177.764 177.300 0.090 0.000 1.199 1001 P CA 0.098 63.214 63.100 0.027 0.000 0.763 1001 P CB 0.623 32.209 31.700 -0.189 0.000 0.790 1002 S N 1.069 116.863 115.700 0.157 0.000 2.780 1002 S HA 0.153 4.640 4.470 0.028 0.000 0.248 1002 S C 0.191 174.890 174.600 0.164 0.000 1.036 1002 S CA -0.322 57.944 58.200 0.110 0.000 1.061 1002 S CB -0.200 63.020 63.200 0.032 0.000 1.037 1002 S HN 0.094 nan 8.310 nan 0.000 0.584 1003 V N 2.575 122.637 119.914 0.247 0.000 2.461 1003 V HA 0.401 4.537 4.120 0.028 0.000 0.275 1003 V C 0.821 177.070 176.094 0.259 0.000 1.047 1003 V CA -0.436 61.991 62.300 0.210 0.000 0.955 1003 V CB 1.079 32.970 31.823 0.114 0.000 0.988 1003 V HN 0.475 nan 8.190 nan 0.000 0.471 1004 S N 3.513 119.372 115.700 0.264 0.000 2.563 1004 S HA 0.257 4.743 4.470 0.028 0.000 0.284 1004 S C 1.505 176.245 174.600 0.233 0.000 1.331 1004 S CA 0.139 58.488 58.200 0.250 0.000 1.047 1004 S CB 1.067 64.449 63.200 0.303 0.000 0.859 1004 S HN 0.994 nan 8.310 nan 0.000 0.514 1005 A N 3.357 126.269 122.820 0.154 0.000 1.940 1005 A HA -0.129 4.207 4.320 0.028 0.000 0.219 1005 A C 2.035 179.649 177.584 0.050 0.000 1.176 1005 A CA 1.692 53.807 52.037 0.130 0.000 0.631 1005 A CB -0.621 18.437 19.000 0.097 0.000 0.814 1005 A HN 0.957 nan 8.150 nan 0.000 0.446 1006 E N -0.773 119.390 120.200 -0.062 0.000 2.333 1006 E HA -0.159 4.208 4.350 0.028 0.000 0.198 1006 E C 0.782 177.111 176.600 -0.452 0.000 1.007 1006 E CA 0.935 57.169 56.400 -0.278 0.000 0.845 1006 E CB -0.413 29.036 29.700 -0.418 0.000 0.766 1006 E HN 0.668 nan 8.360 nan 0.000 0.507 1007 F N 1.242 121.246 119.950 0.091 0.000 2.639 1007 F HA 0.278 4.822 4.527 0.027 0.000 0.302 1007 F C 0.835 176.677 175.800 0.071 0.000 1.097 1007 F CA -0.458 57.595 58.000 0.089 0.000 1.294 1007 F CB 0.499 39.553 39.000 0.089 0.000 1.027 1007 F HN -0.183 nan 8.300 nan 0.000 0.550 1008 Q N 0.961 120.869 119.800 0.180 0.000 2.222 1008 Q HA 0.418 4.775 4.340 0.028 0.000 0.252 1008 Q C -0.129 175.912 176.000 0.069 0.000 0.926 1008 Q CA -0.586 55.309 55.803 0.153 0.000 0.899 1008 Q CB 1.907 30.831 28.738 0.310 0.000 1.250 1008 Q HN 0.230 nan 8.270 nan 0.000 0.441 1009 L N 2.411 123.658 121.223 0.040 0.000 2.423 1009 L HA 0.111 4.467 4.340 0.028 0.000 0.249 1009 L C 0.538 177.371 176.870 -0.061 0.000 1.276 1009 L CA 0.008 54.843 54.840 -0.008 0.000 1.199 1009 L CB -0.489 41.461 42.059 -0.181 0.000 1.407 1009 L HN 0.708 nan 8.230 nan 0.000 0.410 1010 S N -1.422 114.135 115.700 -0.239 0.000 2.578 1010 S HA 0.146 4.632 4.470 0.028 0.000 0.231 1010 S C 1.702 176.202 174.600 -0.166 0.000 0.994 1010 S CA 0.190 58.059 58.200 -0.553 0.000 0.956 1010 S CB 0.774 63.456 63.200 -0.864 0.000 0.870 1010 S HN 0.485 nan 8.310 nan 0.000 0.494 1011 A N 1.714 124.473 122.820 -0.102 0.000 2.076 1011 A HA 0.369 4.706 4.320 0.028 0.000 0.220 1011 A C 2.164 179.578 177.584 -0.283 0.000 1.160 1011 A CA 1.591 53.439 52.037 -0.316 0.000 0.653 1011 A CB -1.338 17.177 19.000 -0.808 0.000 0.801 1011 A HN 1.552 nan 8.150 nan 0.000 0.455 1012 G N -1.674 107.046 108.800 -0.132 0.000 2.454 1012 G HA2 -0.280 3.697 3.960 0.028 0.000 0.225 1012 G HA3 -0.280 3.697 3.960 0.028 0.000 0.225 1012 G C 0.427 175.294 174.900 -0.055 0.000 1.138 1012 G CA 0.359 45.441 45.100 -0.031 0.000 0.667 1012 G HN 0.707 nan 8.290 nan 0.000 0.512 1013 R N -0.407 119.923 120.500 -0.284 0.000 2.514 1013 R HA 0.626 4.983 4.340 0.028 0.000 0.296 1013 R C -1.631 174.400 176.300 -0.448 0.000 1.012 1013 R CA -0.557 55.430 56.100 -0.190 0.000 0.897 1013 R CB 1.491 31.735 30.300 -0.094 0.000 1.184 1013 R HN 0.240 nan 8.270 nan 0.000 0.440 1014 Y N 0.566 120.846 120.300 -0.032 0.000 2.446 1014 Y HA 0.354 4.921 4.550 0.028 0.000 0.345 1014 Y C -0.248 175.803 175.900 0.251 0.000 0.984 1014 Y CA -0.816 57.239 58.100 -0.074 0.000 1.058 1014 Y CB 2.129 40.406 38.460 -0.306 0.000 1.220 1014 Y HN 0.563 nan 8.280 nan 0.000 0.455 1015 H N 3.205 122.553 119.070 0.463 0.000 2.782 1015 H HA 0.539 5.112 4.556 0.028 0.000 0.347 1015 H C -1.742 173.939 175.328 0.587 0.000 1.038 1015 H CA -0.883 55.400 56.048 0.391 0.000 1.255 1015 H CB 0.972 30.869 29.762 0.225 0.000 1.623 1015 H HN 0.594 nan 8.280 nan 0.000 0.525 1016 Y N 2.022 122.236 120.300 -0.143 0.000 2.615 1016 Y HA 0.525 5.092 4.550 0.028 0.000 0.341 1016 Y C -1.885 173.870 175.900 -0.242 0.000 1.089 1016 Y CA -1.119 56.919 58.100 -0.104 0.000 1.049 1016 Y CB 1.581 40.032 38.460 -0.016 0.000 1.296 1016 Y HN 0.752 nan 8.280 nan 0.000 0.470 1017 Q N 2.510 122.316 119.800 0.010 0.000 2.352 1017 Q HA 0.733 5.090 4.340 0.028 0.000 0.270 1017 Q C -2.369 173.715 176.000 0.140 0.000 1.006 1017 Q CA -0.994 54.789 55.803 -0.033 0.000 0.880 1017 Q CB 2.854 31.569 28.738 -0.038 0.000 1.392 1017 Q HN 0.858 nan 8.270 nan 0.000 0.401 1018 L N 0.871 122.160 121.223 0.109 0.000 2.371 1018 L HA 0.841 5.198 4.340 0.028 0.000 0.262 1018 L C -0.833 176.151 176.870 0.190 0.000 1.006 1018 L CA -1.262 53.675 54.840 0.162 0.000 0.818 1018 L CB 2.392 44.499 42.059 0.080 0.000 1.354 1018 L HN 0.482 nan 8.230 nan 0.000 0.415 1019 V N 0.445 120.503 119.914 0.240 0.000 2.540 1019 V HA 0.444 4.581 4.120 0.028 0.000 0.302 1019 V C -1.255 175.038 176.094 0.331 0.000 1.035 1019 V CA -0.381 62.077 62.300 0.262 0.000 0.873 1019 V CB 2.073 34.022 31.823 0.210 0.000 0.992 1019 V HN 0.629 nan 8.190 nan 0.000 0.428 1020 W N 6.424 127.809 121.300 0.141 0.000 2.573 1020 W HA 0.756 5.433 4.660 0.028 0.000 0.326 1020 W C -0.326 176.206 176.519 0.022 0.000 1.049 1020 W CA -1.027 56.334 57.345 0.026 0.000 1.220 1020 W CB 1.579 31.112 29.460 0.122 0.000 1.373 1020 W HN 0.934 nan 8.180 nan 0.000 0.507 1021 C N 3.429 123.066 119.300 0.561 0.000 3.284 1021 C HA 0.552 5.029 4.460 0.028 0.000 0.348 1021 C C -1.268 173.820 174.990 0.164 0.000 1.448 1021 C CA -0.775 58.425 59.018 0.304 0.000 1.223 1021 C CB 1.640 29.500 27.740 0.199 0.000 1.588 1021 C HN 0.703 nan 8.230 nan 0.000 0.451 1022 Q N 1.809 121.652 119.800 0.071 0.000 2.413 1022 Q HA 0.377 4.734 4.340 0.028 0.000 0.258 1022 Q C -0.353 175.629 176.000 -0.029 0.000 1.037 1022 Q CA -0.206 55.580 55.803 -0.030 0.000 0.764 1022 Q CB 0.967 29.666 28.738 -0.064 0.000 1.217 1022 Q HN 0.798 nan 8.270 nan 0.000 0.490 1023 K N 0.000 120.373 120.400 -0.045 0.000 2.780 1023 K HA 0.000 4.337 4.320 0.028 0.000 0.191 1023 K CA 0.000 56.271 56.287 -0.027 0.000 0.838 1023 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543