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 1gho_1_P DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.142 176.117 0.041 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.026 0.000 1.214 4 T N -2.318 112.267 114.554 0.052 0.000 3.081 4 T HA 0.219 4.569 4.350 0.000 0.000 0.250 4 T C 0.922 175.653 174.700 0.052 0.000 1.100 4 T CA 0.963 63.079 62.100 0.026 0.000 1.038 4 T CB -0.376 68.506 68.868 0.023 0.000 0.962 4 T HN 0.247 nan 8.240 nan 0.000 0.516 5 D N 2.374 122.864 120.400 0.149 0.000 2.340 5 D HA 0.088 4.728 4.640 0.000 0.000 0.220 5 D C 0.959 177.471 176.300 0.353 0.000 1.039 5 D CA 0.157 54.351 54.000 0.323 0.000 0.866 5 D CB 0.056 41.066 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.064 115.856 115.700 0.154 0.000 2.548 6 S HA 0.087 4.557 4.470 0.000 0.000 0.277 6 S C 1.335 175.988 174.600 0.088 0.000 1.315 6 S CA -0.681 57.568 58.200 0.082 0.000 1.050 6 S CB 1.275 64.490 63.200 0.026 0.000 0.918 6 S HN -0.115 nan 8.310 nan 0.000 0.497 7 L N 3.570 124.822 121.223 0.049 0.000 2.051 7 L HA -0.126 4.214 4.340 0.000 0.000 0.214 7 L C 2.900 179.789 176.870 0.032 0.000 1.076 7 L CA 2.504 57.379 54.840 0.057 0.000 0.758 7 L CB -1.544 40.501 42.059 -0.024 0.000 0.890 7 L HN 0.989 nan 8.230 nan 0.000 0.433 8 A N -1.822 121.003 122.820 0.008 0.000 2.015 8 A HA -0.098 4.222 4.320 0.000 0.000 0.219 8 A C 2.393 179.972 177.584 -0.009 0.000 1.163 8 A CA 1.745 53.784 52.037 0.003 0.000 0.646 8 A CB -0.575 18.422 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.022 118.878 119.914 -0.023 0.000 2.341 9 V HA -0.129 3.991 4.120 0.000 0.000 0.240 9 V C 2.541 178.562 176.094 -0.122 0.000 1.035 9 V CA 1.514 63.778 62.300 -0.061 0.000 1.033 9 V CB -0.378 31.412 31.823 -0.054 0.000 0.678 9 V HN 0.320 nan 8.190 nan 0.000 0.464 10 V N 0.753 120.566 119.914 -0.168 0.000 2.250 10 V HA -0.298 3.822 4.120 0.000 0.000 0.250 10 V C 2.163 178.135 176.094 -0.204 0.000 1.060 10 V CA 2.243 64.329 62.300 -0.358 0.000 1.030 10 V CB -0.694 30.870 31.823 -0.432 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.278 121.491 121.223 -0.016 0.000 2.622 11 L HA -0.104 4.236 4.340 0.000 0.000 0.233 11 L C 2.337 179.280 176.870 0.121 0.000 1.156 11 L CA 0.799 55.762 54.840 0.206 0.000 0.866 11 L CB -0.709 41.517 42.059 0.279 0.000 0.980 11 L HN 0.443 nan 8.230 nan 0.000 0.448 12 Q N 0.713 120.510 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 0.000 0.000 0.198 12 Q C 2.306 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.183 56.964 55.803 -0.037 0.000 0.847 12 Q CB 0.020 28.729 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.512 120.934 120.500 -0.129 0.000 2.096 13 R HA 0.010 4.350 4.340 0.000 0.000 0.235 13 R C 0.286 176.417 176.300 -0.282 0.000 1.127 13 R CA 1.135 57.130 56.100 -0.175 0.000 0.968 13 R CB -0.231 29.965 30.300 -0.174 0.000 0.861 13 R HN 0.352 nan 8.270 nan 0.000 0.440 14 R N 0.785 121.033 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 0.000 0.000 0.257 14 R C -0.137 175.697 176.300 -0.776 0.000 1.014 14 R CA 0.411 55.877 56.100 -1.057 0.000 0.681 14 R CB -1.232 28.581 30.300 -0.811 0.000 1.155 14 R HN 0.322 nan 8.270 nan 0.000 0.424 15 D N -0.317 119.820 120.400 -0.438 0.000 2.221 15 D HA -0.186 4.454 4.640 0.000 0.000 0.204 15 D C 1.587 177.850 176.300 -0.063 0.000 0.982 15 D CA 1.763 55.573 54.000 -0.316 0.000 0.857 15 D CB -0.138 40.264 40.800 -0.664 0.000 0.934 15 D HN 0.726 nan 8.370 nan 0.000 0.475 16 W N 1.610 122.945 121.300 0.059 0.000 3.292 16 W HA 0.159 4.819 4.660 0.000 0.000 0.263 16 W C 0.253 176.877 176.519 0.175 0.000 1.318 16 W CA -0.215 57.258 57.345 0.213 0.000 1.663 16 W CB -0.262 29.356 29.460 0.263 0.000 1.114 16 W HN -0.164 nan 8.180 nan 0.000 0.706 17 E N 1.027 121.056 120.200 -0.284 0.000 3.306 17 E HA 0.085 4.435 4.350 0.000 0.000 0.197 17 E C -0.835 175.645 176.600 -0.200 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.472 29.700 -0.093 0.000 1.112 17 E HN 0.078 nan 8.360 nan 0.000 0.458 18 N N 1.241 119.850 118.700 -0.153 0.000 2.572 18 N HA 0.140 4.880 4.740 0.000 0.000 0.287 18 N C -2.373 173.016 175.510 -0.202 0.000 1.136 18 N CA -1.933 50.994 53.050 -0.206 0.000 0.900 18 N CB 1.626 39.999 38.487 -0.189 0.000 1.484 18 N HN -0.228 nan 8.380 nan 0.000 0.526 19 P HA 0.075 nan 4.420 nan 0.000 0.230 19 P C 1.073 178.143 177.300 -0.383 0.000 1.158 19 P CA 0.659 63.437 63.100 -0.537 0.000 0.769 19 P CB 0.169 31.094 31.700 -1.293 0.000 0.807 20 G N -0.345 108.274 108.800 -0.302 0.000 2.572 20 G HA2 0.036 3.996 3.960 0.000 0.000 0.216 20 G HA3 0.036 3.996 3.960 0.000 0.000 0.216 20 G C 0.321 175.151 174.900 -0.117 0.000 1.133 20 G CA 0.213 45.189 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.445 121.312 119.914 -0.080 0.000 2.326 21 V HA 0.355 4.475 4.120 0.000 0.000 0.281 21 V C 0.850 177.005 176.094 0.102 0.000 1.015 21 V CA 0.153 62.461 62.300 0.013 0.000 0.823 21 V CB 1.214 33.041 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.741 115.339 114.554 0.074 0.000 2.985 22 T HA 0.353 4.703 4.350 0.000 0.000 0.254 22 T C 0.275 174.987 174.700 0.020 0.000 1.021 22 T CA 0.217 62.350 62.100 0.055 0.000 0.957 22 T CB 0.385 69.248 68.868 -0.010 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.340 120.199 119.800 0.099 0.000 2.756 23 Q HA 0.712 5.052 4.340 0.000 0.000 0.295 23 Q C -2.191 173.929 176.000 0.200 0.000 0.903 23 Q CA -1.097 54.751 55.803 0.073 0.000 0.768 23 Q CB 1.079 29.787 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.701 123.068 121.223 0.240 0.000 2.580 24 L HA 0.559 4.899 4.340 0.000 0.000 0.266 24 L C -0.791 176.225 176.870 0.244 0.000 0.955 24 L CA -0.806 54.196 54.840 0.271 0.000 0.886 24 L CB 1.887 44.207 42.059 0.435 0.000 1.263 24 L HN 0.867 nan 8.230 nan 0.000 0.406 25 N N 0.577 119.380 118.700 0.171 0.000 2.800 25 N HA -0.204 4.536 4.740 0.000 0.000 0.250 25 N C 0.220 175.807 175.510 0.129 0.000 1.078 25 N CA 0.730 53.880 53.050 0.167 0.000 0.804 25 N CB -0.745 37.828 38.487 0.142 0.000 1.135 25 N HN 0.691 nan 8.380 nan 0.000 0.565 26 R N 1.209 121.657 120.500 -0.087 0.000 2.340 26 R HA 0.402 4.742 4.340 0.000 0.000 0.300 26 R C 0.700 176.854 176.300 -0.243 0.000 1.069 26 R CA -0.328 55.491 56.100 -0.469 0.000 0.984 26 R CB 0.558 30.578 30.300 -0.466 0.000 1.003 26 R HN 0.123 nan 8.270 nan 0.000 0.459 27 L N 2.752 123.824 121.223 -0.251 0.000 2.479 27 L HA 0.328 4.668 4.340 0.000 0.000 0.248 27 L C 0.756 177.589 176.870 -0.061 0.000 1.205 27 L CA -0.630 54.159 54.840 -0.085 0.000 0.817 27 L CB 0.462 42.510 42.059 -0.019 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.488 123.315 122.820 0.012 0.000 2.366 28 A HA 0.553 4.873 4.320 0.000 0.000 0.249 28 A C 0.157 177.785 177.584 0.074 0.000 1.084 28 A CA -0.023 52.034 52.037 0.033 0.000 0.794 28 A CB 0.283 19.321 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.731 123.544 122.820 -0.011 0.000 2.304 29 A HA 0.724 5.044 4.320 0.000 0.000 0.271 29 A C 0.029 177.554 177.584 -0.099 0.000 1.091 29 A CA 0.362 52.319 52.037 -0.134 0.000 0.812 29 A CB 0.000 18.905 19.000 -0.159 0.000 1.056 29 A HN 1.790 nan 8.150 nan 0.000 0.489 30 H N -2.520 116.450 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.153 4.556 0.000 0.000 0.290 30 H C -3.351 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.737 54.171 56.048 -0.233 0.000 1.147 30 H CB 0.016 29.605 29.762 -0.288 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.206 nan 4.420 nan 0.000 0.274 31 P C -2.591 174.459 177.300 -0.417 0.000 1.260 31 P CA -1.487 61.397 63.100 -0.360 0.000 0.793 31 P CB -0.377 31.085 31.700 -0.397 0.000 1.048 32 P HA 0.144 nan 4.420 nan 0.000 0.271 32 P C -0.845 176.517 177.300 0.104 0.000 1.226 32 P CA 0.773 63.822 63.100 -0.087 0.000 0.765 32 P CB -0.125 31.595 31.700 0.034 0.000 0.835 33 F N 1.388 121.460 119.950 0.203 0.000 2.492 33 F HA 0.584 5.111 4.527 0.000 0.000 0.327 33 F C 1.137 176.888 175.800 -0.081 0.000 1.079 33 F CA -0.951 57.100 58.000 0.084 0.000 0.967 33 F CB 2.030 41.034 39.000 0.007 0.000 1.169 33 F HN 0.235 nan 8.300 nan 0.000 0.472 34 A N 0.566 123.353 122.820 -0.054 0.000 2.340 34 A HA 0.253 4.573 4.320 0.000 0.000 0.213 34 A C 0.820 178.124 177.584 -0.467 0.000 1.299 34 A CA 0.487 52.233 52.037 -0.485 0.000 0.994 34 A CB -0.035 18.125 19.000 -1.400 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.205 115.323 115.700 -0.287 0.000 3.783 35 S HA -0.131 4.339 4.470 0.000 0.000 0.360 35 S C -0.058 174.460 174.600 -0.137 0.000 1.006 35 S CA 0.329 58.406 58.200 -0.206 0.000 1.115 35 S CB -1.707 61.357 63.200 -0.227 0.000 0.893 35 S HN 0.493 nan 8.310 nan 0.000 0.475 36 W N 1.368 122.661 121.300 -0.011 0.000 2.148 36 W HA 0.163 4.823 4.660 0.000 0.000 0.347 36 W C 1.546 178.058 176.519 -0.011 0.000 1.288 36 W CA -0.198 57.148 57.345 0.002 0.000 1.252 36 W CB 0.169 29.630 29.460 0.001 0.000 1.156 36 W HN 0.374 nan 8.180 nan 0.000 0.580 37 R N 1.535 122.198 120.500 0.272 0.000 2.508 37 R HA 0.093 4.433 4.340 0.000 0.000 0.300 37 R C 0.089 176.469 176.300 0.133 0.000 0.970 37 R CA -0.062 56.131 56.100 0.155 0.000 1.102 37 R CB 0.382 30.742 30.300 0.099 0.000 1.246 37 R HN 0.422 nan 8.270 nan 0.000 0.539 38 N N 0.509 119.305 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 0.000 0.000 0.289 38 N C 0.379 175.880 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.066 0.000 0.905 38 N CB 2.192 40.712 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.761 118.432 115.700 -0.049 0.000 2.359 39 S HA -0.159 4.311 4.470 0.000 0.000 0.224 39 S C 1.178 175.637 174.600 -0.235 0.000 1.035 39 S CA 1.268 59.398 58.200 -0.117 0.000 1.018 39 S CB -0.208 62.957 63.200 -0.058 0.000 0.876 39 S HN 0.670 nan 8.310 nan 0.000 0.448 40 E N 0.934 121.017 120.200 -0.196 0.000 2.110 40 E HA -0.124 4.226 4.350 0.000 0.000 0.193 40 E C 2.206 178.624 176.600 -0.304 0.000 0.988 40 E CA 1.157 57.404 56.400 -0.256 0.000 0.804 40 E CB -0.334 29.258 29.700 -0.180 0.000 0.745 40 E HN 0.753 nan 8.360 nan 0.000 0.458 41 E N 0.619 120.662 120.200 -0.262 0.000 2.051 41 E HA -0.156 4.194 4.350 0.000 0.000 0.192 41 E C 2.081 178.195 176.600 -0.810 0.000 0.991 41 E CA 0.978 57.210 56.400 -0.281 0.000 0.799 41 E CB -0.082 29.620 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.581 123.628 122.820 -1.288 0.000 1.902 42 A HA -0.216 4.104 4.320 0.000 0.000 0.217 42 A C 2.105 179.067 177.584 -1.036 0.000 1.181 42 A CA 1.636 52.448 52.037 -2.042 0.000 0.623 42 A CB -0.506 17.810 19.000 -1.141 0.000 0.818 42 A HN 0.113 nan 8.150 nan 0.000 0.443 43 R N -0.075 120.031 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 0.000 0.000 0.232 43 R C 1.440 177.493 176.300 -0.412 0.000 1.117 43 R CA 1.938 57.725 56.100 -0.520 0.000 0.981 43 R CB -0.354 29.563 30.300 -0.638 0.000 0.870 43 R HN 0.585 nan 8.270 nan 0.000 0.451 44 T N -2.844 111.489 114.554 -0.368 0.000 3.105 44 T HA 0.111 4.461 4.350 0.000 0.000 0.253 44 T C 0.044 174.665 174.700 -0.132 0.000 1.047 44 T CA 0.151 62.119 62.100 -0.220 0.000 0.944 44 T CB 0.247 69.010 68.868 -0.175 0.000 1.016 44 T HN 0.255 nan 8.240 nan 0.000 0.544 45 D N 1.339 121.628 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 0.000 0.000 0.232 45 D C 0.052 176.457 176.300 0.176 0.000 1.137 45 D CA 0.386 54.408 54.000 0.037 0.000 0.718 45 D CB -0.856 40.001 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.113 120.486 120.500 0.164 0.000 2.652 46 R HA 0.492 4.832 4.340 0.000 0.000 0.271 46 R C -2.123 174.440 176.300 0.438 0.000 1.129 46 R CA -1.195 55.054 56.100 0.248 0.000 1.200 46 R CB -0.002 30.390 30.300 0.153 0.000 1.146 46 R HN 0.102 nan 8.270 nan 0.000 0.581 47 P HA 0.043 nan 4.420 nan 0.000 0.279 47 P C -0.650 176.763 177.300 0.188 0.000 1.239 47 P CA -0.135 63.090 63.100 0.208 0.000 0.789 47 P CB 1.146 32.925 31.700 0.132 0.000 0.933 48 S N 1.800 117.492 115.700 -0.014 0.000 2.525 48 S HA 0.166 4.636 4.470 0.000 0.000 0.290 48 S C 0.937 175.522 174.600 -0.024 0.000 1.152 48 S CA -0.538 57.578 58.200 -0.139 0.000 1.072 48 S CB 0.883 63.644 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.724 121.555 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 0.000 0.000 0.208 49 Q C 0.790 176.928 176.000 0.230 0.000 0.958 49 Q CA 0.352 56.235 55.803 0.135 0.000 0.932 49 Q CB -0.145 28.684 28.738 0.151 0.000 1.007 49 Q HN 0.782 nan 8.270 nan 0.000 0.508 50 Q N 0.494 120.357 119.800 0.104 0.000 2.365 50 Q HA 0.148 4.488 4.340 0.000 0.000 0.203 50 Q C 0.012 176.054 176.000 0.070 0.000 0.929 50 Q CA 0.136 55.982 55.803 0.073 0.000 0.948 50 Q CB 0.101 28.777 28.738 -0.102 0.000 1.043 50 Q HN 0.160 nan 8.270 nan 0.000 0.505 51 L N 1.172 122.461 121.223 0.111 0.000 2.343 51 L HA 0.467 4.807 4.340 0.000 0.000 0.278 51 L C -1.158 175.800 176.870 0.147 0.000 0.996 51 L CA -0.373 54.522 54.840 0.092 0.000 0.831 51 L CB 1.470 43.506 42.059 -0.038 0.000 1.232 51 L HN -0.101 nan 8.230 nan 0.000 0.413 52 R N 2.782 123.394 120.500 0.187 0.000 2.561 52 R HA 0.456 4.796 4.340 0.000 0.000 0.297 52 R C -0.908 175.431 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.263 32.658 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.691 118.418 115.700 0.046 0.000 2.565 53 S HA 0.275 4.745 4.470 0.000 0.000 0.274 53 S C 0.973 175.592 174.600 0.033 0.000 1.309 53 S CA -0.430 57.791 58.200 0.034 0.000 1.043 53 S CB 0.510 63.737 63.200 0.046 0.000 0.939 53 S HN 0.541 nan 8.310 nan 0.000 0.504 54 L N 3.455 124.707 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 0.000 0.000 0.249 54 L C -0.018 177.060 176.870 0.347 0.000 1.172 54 L CA -0.255 54.648 54.840 0.106 0.000 0.980 54 L CB -0.331 41.761 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.382 120.209 118.700 0.212 0.000 2.530 55 N HA 0.511 5.251 4.740 0.000 0.000 0.273 55 N C 0.634 176.295 175.510 0.251 0.000 1.173 55 N CA 0.771 53.950 53.050 0.215 0.000 0.967 55 N CB 1.687 40.225 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.770 109.755 108.800 0.307 0.000 2.366 56 G HA2 -0.061 3.899 3.960 0.000 0.000 0.190 56 G HA3 -0.061 3.899 3.960 0.000 0.000 0.190 56 G C -1.349 173.791 174.900 0.399 0.000 1.299 56 G CA -0.749 44.511 45.100 0.267 0.000 1.056 56 G HN 0.467 nan 8.290 nan 0.000 0.468 57 E N -0.304 120.089 120.200 0.322 0.000 2.313 57 E HA 0.529 4.879 4.350 0.000 0.000 0.276 57 E C -1.131 175.738 176.600 0.449 0.000 1.031 57 E CA -0.127 56.470 56.400 0.328 0.000 0.857 57 E CB 0.809 30.615 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.657 123.045 121.300 0.148 0.000 3.047 58 W HA 0.402 5.062 4.660 0.000 0.000 0.341 58 W C -0.529 176.107 176.519 0.196 0.000 1.225 58 W CA -0.740 56.721 57.345 0.195 0.000 1.150 58 W CB 0.879 30.510 29.460 0.286 0.000 1.470 58 W HN 0.265 nan 8.180 nan 0.000 0.578 59 R N 1.603 122.366 120.500 0.438 0.000 2.474 59 R HA 0.656 4.996 4.340 0.000 0.000 0.295 59 R C -1.402 175.101 176.300 0.338 0.000 0.980 59 R CA -0.783 55.507 56.100 0.318 0.000 0.934 59 R CB 1.578 32.011 30.300 0.221 0.000 1.101 59 R HN 0.450 nan 8.270 nan 0.000 0.469 60 F N 0.524 120.494 119.950 0.033 0.000 2.578 60 F HA 0.664 5.191 4.527 0.000 0.000 0.311 60 F C -1.480 174.180 175.800 -0.233 0.000 1.094 60 F CA -0.624 57.257 58.000 -0.199 0.000 0.923 60 F CB 2.082 40.852 39.000 -0.383 0.000 1.230 60 F HN 0.680 nan 8.300 nan 0.000 0.450 61 A N 4.227 126.166 122.820 -1.468 0.000 2.549 61 A HA 0.601 4.921 4.320 0.000 0.000 0.297 61 A C -2.493 174.217 177.584 -1.458 0.000 1.061 61 A CA -0.561 50.801 52.037 -1.125 0.000 0.690 61 A CB 0.779 19.477 19.000 -0.503 0.000 1.287 61 A HN 0.970 nan 8.150 nan 0.000 0.402 62 W N 1.814 122.335 121.300 -1.299 0.000 2.689 62 W HA 0.793 5.453 4.660 0.000 0.000 0.340 62 W C -1.967 173.957 176.519 -0.992 0.000 1.060 62 W CA -0.440 56.304 57.345 -1.001 0.000 1.218 62 W CB 1.448 30.505 29.460 -0.671 0.000 1.410 62 W HN 0.519 nan 8.180 nan 0.000 0.528 63 F N 4.802 124.117 119.950 -1.060 0.000 2.631 63 F HA 0.349 4.876 4.527 0.000 0.000 0.308 63 F C -1.533 173.456 175.800 -1.353 0.000 1.097 63 F CA -2.391 55.115 58.000 -0.824 0.000 0.952 63 F CB 1.394 40.073 39.000 -0.534 0.000 1.307 63 F HN 0.142 nan 8.300 nan 0.000 0.450 64 P HA 0.079 nan 4.420 nan 0.000 0.226 64 P C -0.242 176.964 177.300 -0.157 0.000 1.153 64 P CA 1.037 63.957 63.100 -0.300 0.000 0.777 64 P CB 0.578 32.318 31.700 0.066 0.000 0.794 65 A N -1.048 121.685 122.820 -0.145 0.000 2.605 65 A HA 0.521 4.841 4.320 0.000 0.000 0.294 65 A C -2.380 175.107 177.584 -0.162 0.000 1.062 65 A CA -1.088 50.893 52.037 -0.093 0.000 0.682 65 A CB 0.611 19.615 19.000 0.007 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.410 66 P HA -0.142 nan 4.420 nan 0.000 0.216 66 P C 0.846 178.035 177.300 -0.185 0.000 1.150 66 P CA 1.645 64.599 63.100 -0.243 0.000 0.837 66 P CB 0.203 31.733 31.700 -0.284 0.000 0.786 67 E N 0.292 120.449 120.200 -0.071 0.000 2.171 67 E HA -0.139 4.211 4.350 0.000 0.000 0.197 67 E C 2.100 178.653 176.600 -0.080 0.000 0.997 67 E CA 1.539 57.918 56.400 -0.035 0.000 0.810 67 E CB -0.894 28.823 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.728 123.487 122.820 -0.102 0.000 2.206 68 A HA 0.032 4.352 4.320 0.000 0.000 0.211 68 A C 0.845 178.251 177.584 -0.297 0.000 1.158 68 A CA 0.070 52.064 52.037 -0.072 0.000 0.761 68 A CB -0.010 19.040 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.529 122.107 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 0.000 0.000 0.291 69 V C -2.133 173.746 176.094 -0.358 0.000 1.039 69 V CA -1.308 60.487 62.300 -0.843 0.000 1.055 69 V CB 0.758 32.010 31.823 -0.951 0.000 0.969 69 V HN 0.338 nan 8.190 nan 0.000 0.482 70 P HA 0.330 nan 4.420 nan 0.000 0.294 70 P C 0.441 177.718 177.300 -0.038 0.000 1.294 70 P CA -0.520 62.529 63.100 -0.085 0.000 0.827 70 P CB 1.643 33.339 31.700 -0.006 0.000 0.992 71 E N 1.717 121.890 120.200 -0.045 0.000 2.169 71 E HA -0.234 4.116 4.350 0.000 0.000 0.202 71 E C 1.671 178.233 176.600 -0.062 0.000 1.016 71 E CA 2.425 58.790 56.400 -0.058 0.000 0.817 71 E CB -0.292 29.375 29.700 -0.055 0.000 0.736 71 E HN 0.438 nan 8.360 nan 0.000 0.462 72 S N -0.202 115.485 115.700 -0.021 0.000 2.383 72 S HA -0.231 4.239 4.470 0.000 0.000 0.229 72 S C 1.412 175.989 174.600 -0.038 0.000 1.030 72 S CA 1.125 59.312 58.200 -0.021 0.000 1.002 72 S CB -0.740 62.472 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.694 123.903 121.300 -0.153 0.000 2.292 73 W HA -0.186 4.474 4.660 0.000 0.000 0.304 73 W C 1.590 177.993 176.519 -0.192 0.000 1.228 73 W CA 1.106 58.352 57.345 -0.166 0.000 1.241 73 W CB -0.641 28.692 29.460 -0.212 0.000 1.142 73 W HN 0.246 nan 8.180 nan 0.000 0.520 74 L N 0.053 120.954 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 0.000 0.000 0.209 74 L C 2.516 179.107 176.870 -0.466 0.000 1.083 74 L CA 1.505 55.926 54.840 -0.700 0.000 0.752 74 L CB -0.670 41.038 42.059 -0.585 0.000 0.899 74 L HN -0.037 nan 8.230 nan 0.000 0.433 75 E N -1.457 118.566 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 0.000 0.000 0.193 75 E C 0.272 176.780 176.600 -0.153 0.000 0.951 75 E CA 0.389 56.678 56.400 -0.184 0.000 0.843 75 E CB 0.282 29.914 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.218 121.440 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 0.000 0.000 0.314 76 C C -0.092 174.885 174.990 -0.022 0.000 1.199 76 C CA -1.307 57.671 59.018 -0.067 0.000 1.564 76 C CB 1.444 29.168 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.602 122.008 120.400 0.011 0.000 2.419 77 D HA 0.193 4.833 4.640 0.000 0.000 0.236 77 D C 0.025 176.398 176.300 0.121 0.000 1.165 77 D CA 0.503 54.561 54.000 0.096 0.000 0.882 77 D CB 0.621 41.474 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.508 123.834 121.223 0.171 0.000 2.421 78 L HA 0.206 4.546 4.340 0.000 0.000 0.263 78 L C -1.027 175.888 176.870 0.075 0.000 1.122 78 L CA -1.541 53.373 54.840 0.124 0.000 0.804 78 L CB 0.621 42.761 42.059 0.136 0.000 1.150 78 L HN 0.261 nan 8.230 nan 0.000 0.457 79 P HA -0.082 nan 4.420 nan 0.000 0.217 79 P C 0.635 177.951 177.300 0.027 0.000 1.154 79 P CA 1.033 64.154 63.100 0.036 0.000 0.841 79 P CB 0.186 31.903 31.700 0.028 0.000 0.788 80 E N 0.065 120.275 120.200 0.018 0.000 2.502 80 E HA 0.263 4.613 4.350 0.000 0.000 0.194 80 E C 0.756 177.352 176.600 -0.008 0.000 1.062 80 E CA -0.141 56.257 56.400 -0.003 0.000 0.867 80 E CB -0.490 29.192 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.540 124.368 122.820 0.013 0.000 2.425 81 A HA 0.108 4.428 4.320 0.000 0.000 0.249 81 A C -0.102 177.519 177.584 0.062 0.000 1.084 81 A CA -0.395 51.651 52.037 0.015 0.000 0.781 81 A CB 0.389 19.422 19.000 0.056 0.000 1.019 81 A HN 0.034 nan 8.150 nan 0.000 0.490 82 D N 0.536 120.999 120.400 0.105 0.000 2.387 82 D HA 0.418 5.058 4.640 0.000 0.000 0.255 82 D C -0.517 175.881 176.300 0.163 0.000 1.081 82 D CA 0.107 54.195 54.000 0.146 0.000 0.994 82 D CB 1.336 42.269 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.800 115.434 114.554 0.134 0.000 2.758 83 T HA 0.430 4.780 4.350 0.000 0.000 0.285 83 T C -0.189 174.584 174.700 0.122 0.000 0.981 83 T CA -0.443 61.742 62.100 0.142 0.000 0.965 83 T CB 1.076 70.007 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.707 123.725 119.914 0.173 0.000 3.001 84 V HA 0.513 4.633 4.120 0.000 0.000 0.314 84 V C -0.263 175.940 176.094 0.181 0.000 1.099 84 V CA -0.801 61.564 62.300 0.108 0.000 0.989 84 V CB 2.588 34.487 31.823 0.127 0.000 1.040 84 V HN 0.631 nan 8.190 nan 0.000 0.434 85 V N 3.474 123.470 119.914 0.136 0.000 2.546 85 V HA 0.432 4.552 4.120 0.000 0.000 0.284 85 V C -0.210 175.960 176.094 0.126 0.000 1.050 85 V CA -0.212 62.180 62.300 0.153 0.000 0.981 85 V CB 1.634 33.518 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.604 127.527 119.914 0.015 0.000 2.487 86 V HA 0.478 4.598 4.120 0.000 0.000 0.298 86 V C -2.254 173.753 176.094 -0.145 0.000 1.028 86 V CA -1.591 60.586 62.300 -0.205 0.000 0.860 86 V CB 2.461 33.810 31.823 -0.790 0.000 0.991 86 V HN 0.778 nan 8.190 nan 0.000 0.427 87 P HA 0.615 nan 4.420 nan 0.000 0.282 87 P C -0.901 176.352 177.300 -0.079 0.000 1.259 87 P CA -0.302 62.705 63.100 -0.155 0.000 0.826 87 P CB 1.740 33.350 31.700 -0.149 0.000 1.064 88 S N -0.080 115.591 115.700 -0.048 0.000 2.656 88 S HA 0.382 4.852 4.470 0.000 0.000 0.265 88 S C -1.487 173.075 174.600 -0.062 0.000 1.110 88 S CA -1.013 57.145 58.200 -0.071 0.000 0.821 88 S CB 0.103 63.258 63.200 -0.076 0.000 1.099 88 S HN 0.357 nan 8.310 nan 0.000 0.471 89 N N 1.032 119.619 118.700 -0.189 0.000 2.417 89 N HA 0.449 5.189 4.740 0.000 0.000 0.274 89 N C 0.430 175.792 175.510 -0.247 0.000 0.987 89 N CA -0.760 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.760 39.071 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.781 123.961 121.300 -0.199 0.000 2.421 90 W HA -0.091 4.569 4.660 0.000 0.000 0.270 90 W C 0.878 177.371 176.519 -0.042 0.000 1.233 90 W CA 0.913 58.139 57.345 -0.198 0.000 1.226 90 W CB -0.386 28.887 29.460 -0.311 0.000 1.121 90 W HN 0.509 nan 8.180 nan 0.000 0.579 91 Q N 0.296 120.086 119.800 -0.016 0.000 2.224 91 Q HA -0.104 4.236 4.340 0.000 0.000 0.203 91 Q C 2.029 177.999 176.000 -0.050 0.000 0.970 91 Q CA 1.596 57.408 55.803 0.016 0.000 0.865 91 Q CB -0.565 28.065 28.738 -0.180 0.000 0.922 91 Q HN 0.211 nan 8.270 nan 0.000 0.445 92 M N -0.938 118.572 119.600 -0.151 0.000 2.630 92 M HA -0.024 4.456 4.480 0.000 0.000 0.254 92 M C 0.473 176.773 176.300 -0.001 0.000 1.092 92 M CA 1.263 56.468 55.300 -0.159 0.000 1.087 92 M CB -0.519 31.925 32.600 -0.260 0.000 1.453 92 M HN 0.345 nan 8.290 nan 0.000 0.509 93 H N -1.618 117.487 119.070 0.059 0.000 2.755 93 H HA 0.358 4.913 4.556 0.000 0.000 0.273 93 H C 1.322 176.541 175.328 -0.180 0.000 1.055 93 H CA 0.192 56.254 56.048 0.023 0.000 1.191 93 H CB 0.732 30.609 29.762 0.191 0.000 1.536 93 H HN 0.492 nan 8.280 nan 0.000 0.529 94 G N 0.466 109.262 108.800 -0.008 0.000 2.195 94 G HA2 -0.359 3.601 3.960 0.000 0.000 0.224 94 G HA3 -0.359 3.601 3.960 0.000 0.000 0.224 94 G C 0.529 175.286 174.900 -0.238 0.000 0.990 94 G CA 0.278 45.275 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.153 122.422 120.300 -0.050 0.000 2.165 95 Y HA 0.201 4.751 4.550 0.000 0.000 0.286 95 Y C 1.677 177.298 175.900 -0.465 0.000 1.155 95 Y CA 1.615 59.511 58.100 -0.340 0.000 1.164 95 Y CB -0.197 37.982 38.460 -0.467 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.312 118.166 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 0.000 0.000 0.303 96 D C -1.189 175.214 176.300 0.171 0.000 1.278 96 D CA -0.818 53.282 54.000 0.166 0.000 0.852 96 D CB 0.807 41.877 40.800 0.450 0.000 1.375 96 D HN 0.039 nan 8.370 nan 0.000 0.453 97 A N -0.245 122.680 122.820 0.175 0.000 2.304 97 A HA 0.717 5.037 4.320 0.000 0.000 0.301 97 A C -2.431 175.193 177.584 0.067 0.000 1.132 97 A CA -1.244 50.870 52.037 0.128 0.000 0.819 97 A CB 0.150 19.281 19.000 0.218 0.000 1.094 97 A HN 0.505 nan 8.150 nan 0.000 0.492 98 P HA 0.464 nan 4.420 nan 0.000 0.278 98 P C -0.872 176.576 177.300 0.246 0.000 1.238 98 P CA 0.061 63.110 63.100 -0.085 0.000 0.794 98 P CB 0.703 32.102 31.700 -0.502 0.000 0.955 99 I N 2.401 123.203 120.570 0.385 0.000 2.441 99 I HA 0.284 4.454 4.170 0.000 0.000 0.295 99 I C -0.505 175.799 176.117 0.312 0.000 0.994 99 I CA -0.943 60.583 61.300 0.377 0.000 1.144 99 I CB 1.624 39.773 38.000 0.249 0.000 1.314 99 I HN 0.312 nan 8.210 nan 0.000 0.445 100 Y N 5.590 125.855 120.300 -0.059 0.000 2.842 100 Y HA 0.427 4.977 4.550 0.000 0.000 0.334 100 Y C -0.249 175.496 175.900 -0.259 0.000 1.019 100 Y CA -0.323 57.462 58.100 -0.524 0.000 1.258 100 Y CB 0.974 38.500 38.460 -1.557 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.866 117.903 114.554 -0.862 0.000 2.887 101 T HA 0.270 4.620 4.350 0.000 0.000 0.288 101 T C 0.329 174.521 174.700 -0.846 0.000 1.021 101 T CA -0.507 61.141 62.100 -0.753 0.000 1.000 101 T CB 1.398 70.046 68.868 -0.366 0.000 1.034 101 T HN 0.867 nan 8.240 nan 0.000 0.467 102 N N 2.096 120.374 118.700 -0.704 0.000 2.335 102 N HA 0.034 4.774 4.740 0.000 0.000 0.197 102 N C 1.455 176.692 175.510 -0.455 0.000 1.045 102 N CA 0.483 53.233 53.050 -0.500 0.000 0.928 102 N CB 0.219 38.437 38.487 -0.448 0.000 1.118 102 N HN 0.354 nan 8.380 nan 0.000 0.471 103 V N 0.486 120.067 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 0.000 0.000 0.240 103 V C 0.556 176.309 176.094 -0.568 0.000 1.040 103 V CA 0.775 62.652 62.300 -0.706 0.000 1.052 103 V CB -0.058 31.276 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.227 115.523 114.554 -0.429 0.000 2.867 104 T HA 0.114 4.464 4.350 0.000 0.000 0.297 104 T C -0.404 174.145 174.700 -0.252 0.000 0.989 104 T CA 0.327 62.255 62.100 -0.287 0.000 1.159 104 T CB -0.342 68.393 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.202 125.393 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 0.000 0.000 0.336 105 Y C -0.875 174.888 175.900 -0.229 0.000 1.216 105 Y CA -1.825 56.156 58.100 -0.200 0.000 1.463 105 Y CB 0.389 38.729 38.460 -0.200 0.000 1.303 105 Y HN 0.546 nan 8.280 nan 0.000 0.576 106 P HA -0.120 nan 4.420 nan 0.000 0.220 106 P C 0.166 177.277 177.300 -0.314 0.000 1.148 106 P CA 1.364 64.354 63.100 -0.183 0.000 0.803 106 P CB 0.149 31.749 31.700 -0.167 0.000 0.782 107 I N -4.404 115.899 120.570 -0.446 0.000 3.205 107 I HA 0.462 4.632 4.170 0.000 0.000 0.310 107 I C -0.482 175.496 176.117 -0.232 0.000 1.089 107 I CA -1.043 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.265 38.833 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.231 116.689 114.554 -0.160 0.000 2.884 108 T HA 0.242 4.592 4.350 0.000 0.000 0.298 108 T C 0.139 174.819 174.700 -0.034 0.000 0.998 108 T CA -0.372 61.692 62.100 -0.061 0.000 1.124 108 T CB 1.143 70.003 68.868 -0.014 0.000 0.931 108 T HN 0.383 nan 8.240 nan 0.000 0.531 109 V N 4.610 124.522 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.341 4.120 0.000 0.000 0.249 109 V C 0.654 176.792 176.094 0.074 0.000 1.114 109 V CA -0.173 62.147 62.300 0.033 0.000 1.028 109 V CB -0.674 31.151 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.408 124.213 118.700 0.174 0.000 2.673 110 N HA 0.277 5.017 4.740 0.000 0.000 0.265 110 N C -2.974 172.581 175.510 0.074 0.000 1.709 110 N CA -1.453 51.686 53.050 0.149 0.000 0.792 110 N CB 1.464 40.095 38.487 0.240 0.000 1.286 110 N HN 0.249 nan 8.380 nan 0.000 0.506 111 P HA 0.151 nan 4.420 nan 0.000 0.262 111 P C -2.293 174.718 177.300 -0.483 0.000 1.182 111 P CA -0.687 61.949 63.100 -0.772 0.000 0.761 111 P CB 0.437 31.555 31.700 -0.970 0.000 0.795 112 P HA 0.251 nan 4.420 nan 0.000 0.266 112 P C -0.568 176.571 177.300 -0.269 0.000 1.561 112 P CA -0.345 62.499 63.100 -0.426 0.000 1.089 112 P CB 0.026 31.500 31.700 -0.377 0.000 1.534 113 F N -0.328 119.733 119.950 0.184 0.000 2.399 113 F HA 0.300 4.827 4.527 0.000 0.000 0.342 113 F C 1.144 177.114 175.800 0.283 0.000 1.106 113 F CA -0.836 57.281 58.000 0.196 0.000 1.196 113 F CB 0.989 40.055 39.000 0.111 0.000 1.163 113 F HN -0.286 nan 8.300 nan 0.000 0.547 114 V N 3.176 123.379 119.914 0.482 0.000 2.994 114 V HA 0.450 4.570 4.120 0.000 0.000 0.318 114 V C -1.957 174.322 176.094 0.309 0.000 1.085 114 V CA -1.943 60.567 62.300 0.350 0.000 0.998 114 V CB 2.096 34.221 31.823 0.504 0.000 1.063 114 V HN 0.550 nan 8.190 nan 0.000 0.447 115 P HA 0.141 nan 4.420 nan 0.000 0.274 115 P C 0.701 178.162 177.300 0.267 0.000 1.237 115 P CA 0.020 63.237 63.100 0.195 0.000 0.793 115 P CB 0.649 32.428 31.700 0.132 0.000 0.977 116 T N -1.059 113.616 114.554 0.201 0.000 2.833 116 T HA -0.140 4.210 4.350 0.000 0.000 0.269 116 T C 0.308 175.123 174.700 0.193 0.000 1.054 116 T CA 1.112 63.330 62.100 0.197 0.000 1.135 116 T CB -0.653 68.296 68.868 0.135 0.000 0.869 116 T HN 0.371 nan 8.240 nan 0.000 0.466 117 E N 2.836 123.154 120.200 0.197 0.000 1.996 117 E HA 0.440 4.790 4.350 0.000 0.000 0.280 117 E C -0.645 176.109 176.600 0.256 0.000 1.092 117 E CA -0.271 56.245 56.400 0.193 0.000 0.862 117 E CB 0.442 30.261 29.700 0.199 0.000 1.066 117 E HN 0.366 nan 8.360 nan 0.000 0.396 118 N N 3.626 122.427 118.700 0.168 0.000 2.577 118 N HA 0.266 5.006 4.740 0.000 0.000 0.275 118 N C -2.849 172.629 175.510 -0.055 0.000 1.091 118 N CA -2.626 50.521 53.050 0.162 0.000 0.843 118 N CB 1.148 39.777 38.487 0.238 0.000 1.295 118 N HN -0.005 nan 8.380 nan 0.000 0.530 119 P HA -0.015 nan 4.420 nan 0.000 0.247 119 P C -0.650 176.525 177.300 -0.208 0.000 1.141 119 P CA 0.623 63.599 63.100 -0.206 0.000 0.858 119 P CB -0.105 31.749 31.700 0.257 0.000 0.804 120 T N 2.850 117.089 114.554 -0.524 0.000 2.837 120 T HA 0.549 4.899 4.350 0.000 0.000 0.285 120 T C 0.692 174.953 174.700 -0.731 0.000 0.984 120 T CA -0.394 61.445 62.100 -0.435 0.000 1.049 120 T CB 1.344 69.967 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.128 109.616 108.800 -0.519 0.000 2.605 121 G HA2 0.476 4.436 3.960 0.000 0.000 0.304 121 G HA3 0.476 4.436 3.960 0.000 0.000 0.304 121 G C -0.321 174.386 174.900 -0.322 0.000 1.333 121 G CA -0.486 44.204 45.100 -0.683 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.025 121.893 119.300 -0.721 0.000 2.281 122 C HA 0.511 4.971 4.460 0.000 0.000 0.336 122 C C -0.388 174.470 174.990 -0.220 0.000 1.217 122 C CA -1.036 57.581 59.018 -0.668 0.000 1.730 122 C CB -1.749 24.994 27.740 -1.663 0.000 2.338 122 C HN 0.598 nan 8.230 nan 0.000 0.521 123 Y N 1.769 122.240 120.300 0.284 0.000 2.457 123 Y HA 0.671 5.221 4.550 0.000 0.000 0.333 123 Y C 0.763 177.120 175.900 0.762 0.000 1.119 123 Y CA -0.431 58.006 58.100 0.562 0.000 1.143 123 Y CB 1.484 40.288 38.460 0.573 0.000 1.230 123 Y HN 0.732 nan 8.280 nan 0.000 0.469 124 S N 1.911 118.117 115.700 0.843 0.000 2.537 124 S HA 0.787 5.257 4.470 0.000 0.000 0.271 124 S C -1.814 172.868 174.600 0.138 0.000 1.148 124 S CA -0.827 57.665 58.200 0.486 0.000 0.868 124 S CB 1.884 65.307 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.664 121.810 121.223 -0.129 0.000 2.513 125 L HA 0.780 5.120 4.340 0.000 0.000 0.261 125 L C -1.445 175.383 176.870 -0.069 0.000 0.945 125 L CA 0.024 54.623 54.840 -0.402 0.000 0.848 125 L CB 2.358 43.587 42.059 -1.383 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.237 119.771 114.554 -0.033 0.000 2.770 126 T HA 0.748 5.098 4.350 0.000 0.000 0.283 126 T C -0.914 173.853 174.700 0.112 0.000 0.988 126 T CA -0.078 62.046 62.100 0.040 0.000 0.957 126 T CB 0.377 69.224 68.868 -0.034 0.000 0.930 126 T HN 0.486 nan 8.240 nan 0.000 0.443 127 F N 0.848 120.714 119.950 -0.140 0.000 2.685 127 F HA 0.733 5.260 4.527 0.000 0.000 0.315 127 F C -0.917 174.824 175.800 -0.100 0.000 1.126 127 F CA -1.514 56.410 58.000 -0.127 0.000 0.950 127 F CB 1.372 40.285 39.000 -0.143 0.000 1.360 127 F HN 0.227 nan 8.300 nan 0.000 0.469 128 N N 0.166 118.787 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.405 4.740 0.000 0.000 0.295 128 N C -1.642 173.790 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 53.050 -0.191 0.000 0.886 128 N CB 2.181 40.598 38.487 -0.116 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.496 121.297 119.914 -0.188 0.000 2.459 129 V HA 0.243 4.363 4.120 0.000 0.000 0.295 129 V C -0.244 175.716 176.094 -0.224 0.000 1.029 129 V CA -0.951 61.246 62.300 -0.170 0.000 0.874 129 V CB 1.519 33.306 31.823 -0.061 0.000 0.985 129 V HN 0.661 nan 8.190 nan 0.000 0.438 130 D N 3.182 123.337 120.400 -0.407 0.000 2.424 130 D HA -0.014 4.626 4.640 0.000 0.000 0.244 130 D C 1.300 177.506 176.300 -0.156 0.000 1.134 130 D CA 0.115 53.923 54.000 -0.320 0.000 0.881 130 D CB 1.202 41.748 40.800 -0.424 0.000 1.191 130 D HN 0.833 nan 8.370 nan 0.000 0.445 131 E N 2.236 122.391 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 0.000 0.000 0.196 131 E C 1.358 177.986 176.600 0.047 0.000 1.008 131 E CA 0.775 57.173 56.400 -0.004 0.000 0.852 131 E CB -0.031 29.665 29.700 -0.007 0.000 0.783 131 E HN 0.367 nan 8.360 nan 0.000 0.505 132 S N 0.339 116.065 115.700 0.044 0.000 2.370 132 S HA -0.184 4.286 4.470 0.000 0.000 0.226 132 S C 1.442 176.140 174.600 0.163 0.000 1.033 132 S CA 1.307 59.568 58.200 0.101 0.000 1.011 132 S CB -0.596 62.673 63.200 0.115 0.000 0.852 132 S HN 0.585 nan 8.310 nan 0.000 0.457 133 W N 1.389 122.548 121.300 -0.236 0.000 2.392 133 W HA 0.195 4.855 4.660 0.000 0.000 0.279 133 W C 2.120 178.587 176.519 -0.087 0.000 1.225 133 W CA 0.089 57.166 57.345 -0.447 0.000 1.233 133 W CB -0.799 28.427 29.460 -0.390 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.543 120.810 121.223 0.217 0.000 2.341 134 L HA -0.138 4.202 4.340 0.000 0.000 0.214 134 L C 2.198 179.143 176.870 0.125 0.000 1.115 134 L CA 0.875 55.813 54.840 0.165 0.000 0.820 134 L CB -0.256 41.871 42.059 0.112 0.000 0.944 134 L HN -0.000 nan 8.230 nan 0.000 0.452 135 Q N -0.260 119.608 119.800 0.112 0.000 2.008 135 Q HA -0.084 4.256 4.340 0.000 0.000 0.196 135 Q C 0.842 176.898 176.000 0.094 0.000 0.973 135 Q CA 0.899 56.754 55.803 0.086 0.000 0.826 135 Q CB 0.011 28.790 28.738 0.068 0.000 0.894 135 Q HN 0.193 nan 8.270 nan 0.000 0.439 136 E N 0.593 120.866 120.200 0.122 0.000 2.235 136 E HA 0.463 4.813 4.350 0.000 0.000 0.265 136 E C 0.296 177.000 176.600 0.174 0.000 0.940 136 E CA 0.015 56.485 56.400 0.116 0.000 0.819 136 E CB 1.264 31.017 29.700 0.089 0.000 1.206 136 E HN 0.287 nan 8.360 nan 0.000 0.409 137 G N 1.889 110.713 108.800 0.040 0.000 2.632 137 G HA2 -0.195 3.765 3.960 0.000 0.000 0.224 137 G HA3 -0.195 3.765 3.960 0.000 0.000 0.224 137 G C -0.946 173.887 174.900 -0.111 0.000 1.341 137 G CA 0.050 45.070 45.100 -0.133 0.000 0.880 137 G HN 0.783 nan 8.290 nan 0.000 0.566 138 Q N -0.397 119.208 119.800 -0.325 0.000 2.347 138 Q HA 0.646 4.986 4.340 0.000 0.000 0.271 138 Q C -1.294 174.599 176.000 -0.180 0.000 1.064 138 Q CA -0.442 55.259 55.803 -0.170 0.000 0.800 138 Q CB 1.893 30.559 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.963 119.541 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 0.000 0.000 0.289 139 T C -0.716 174.066 174.700 0.137 0.000 1.000 139 T CA -0.630 61.545 62.100 0.124 0.000 0.958 139 T CB 0.567 69.626 68.868 0.317 0.000 0.944 139 T HN 0.625 nan 8.240 nan 0.000 0.442 140 R N 3.170 123.727 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 0.000 0.000 0.271 140 R C -1.230 175.136 176.300 0.110 0.000 0.994 140 R CA -0.979 55.192 56.100 0.118 0.000 0.945 140 R CB 1.661 32.016 30.300 0.092 0.000 1.194 140 R HN 0.531 nan 8.270 nan 0.000 0.476 141 I N 2.728 123.372 120.570 0.123 0.000 2.460 141 I HA 0.431 4.601 4.170 0.000 0.000 0.298 141 I C -1.029 175.096 176.117 0.014 0.000 0.989 141 I CA -1.364 59.951 61.300 0.025 0.000 1.173 141 I CB 1.398 39.392 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.225 127.700 120.570 -0.158 0.000 2.447 142 I HA 0.285 4.455 4.170 0.000 0.000 0.287 142 I C -1.255 174.654 176.117 -0.346 0.000 1.023 142 I CA -0.407 60.816 61.300 -0.129 0.000 1.083 142 I CB 1.555 39.516 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 F N 4.519 124.478 119.950 0.015 0.000 2.334 143 F HA 0.266 4.793 4.527 0.000 0.000 0.367 143 F C 1.319 177.025 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.448 58.000 -0.099 0.000 1.116 143 F CB 0.740 39.656 39.000 -0.141 0.000 1.230 143 F HN 0.462 nan 8.300 nan 0.000 0.484 144 D N 2.336 122.691 120.400 -0.075 0.000 2.263 144 D HA 0.016 4.656 4.640 0.000 0.000 0.208 144 D C 1.003 177.157 176.300 -0.243 0.000 0.971 144 D CA 1.058 54.960 54.000 -0.163 0.000 0.867 144 D CB 0.285 40.946 40.800 -0.232 0.000 0.929 144 D HN 0.648 nan 8.370 nan 0.000 0.492 145 G N -0.880 107.707 108.800 -0.356 0.000 2.682 145 G HA2 0.431 4.391 3.960 0.000 0.000 0.300 145 G HA3 0.431 4.391 3.960 0.000 0.000 0.300 145 G C -1.621 172.908 174.900 -0.618 0.000 1.396 145 G CA -0.514 44.243 45.100 -0.571 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.388 122.157 119.914 -0.241 0.000 2.612 146 V HA 0.556 4.676 4.120 0.000 0.000 0.301 146 V C -0.896 175.259 176.094 0.103 0.000 1.059 146 V CA -1.165 61.030 62.300 -0.176 0.000 0.886 146 V CB 1.950 33.399 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.351 121.142 118.700 0.152 0.000 2.372 147 N HA 0.365 5.105 4.740 0.000 0.000 0.285 147 N C 0.622 176.083 175.510 -0.083 0.000 1.008 147 N CA 0.188 53.258 53.050 0.034 0.000 0.880 147 N CB 2.377 40.785 38.487 -0.131 0.000 1.239 147 N HN 0.667 nan 8.380 nan 0.000 0.484 148 S N 2.057 117.737 115.700 -0.033 0.000 2.505 148 S HA 0.540 5.010 4.470 0.000 0.000 0.216 148 S C 0.323 174.988 174.600 0.108 0.000 1.018 148 S CA 0.219 58.450 58.200 0.052 0.000 0.911 148 S CB 0.240 63.487 63.200 0.079 0.000 0.818 148 S HN 0.697 nan 8.310 nan 0.000 0.497 149 A N 0.722 123.619 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 0.000 0.000 0.293 149 A C -1.268 176.459 177.584 0.239 0.000 1.082 149 A CA -0.934 51.166 52.037 0.105 0.000 0.685 149 A CB 0.940 20.020 19.000 0.134 0.000 1.284 149 A HN 1.188 nan 8.150 nan 0.000 0.408 150 F N -0.662 119.167 119.950 -0.203 0.000 2.725 150 F HA 0.696 5.223 4.527 0.000 0.000 0.309 150 F C -1.364 174.442 175.800 0.009 0.000 1.132 150 F CA -0.777 57.192 58.000 -0.052 0.000 0.957 150 F CB 1.016 39.955 39.000 -0.101 0.000 1.286 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 2.031 121.297 119.070 0.326 0.000 2.499 151 H HA 0.774 5.330 4.556 0.000 0.000 0.340 151 H C -1.421 173.975 175.328 0.113 0.000 1.148 151 H CA -0.719 55.439 56.048 0.183 0.000 1.215 151 H CB 2.421 32.322 29.762 0.231 0.000 1.529 151 H HN 0.817 nan 8.280 nan 0.000 0.510 152 L N 2.400 123.520 121.223 -0.173 0.000 2.408 152 L HA 0.413 4.753 4.340 0.000 0.000 0.268 152 L C -1.738 174.876 176.870 -0.426 0.000 0.986 152 L CA -0.529 54.243 54.840 -0.114 0.000 0.820 152 L CB 1.728 43.588 42.059 -0.332 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.191 125.465 121.300 -0.043 0.000 2.761 153 W HA 0.624 5.284 4.660 0.000 0.000 0.340 153 W C -1.138 175.315 176.519 -0.111 0.000 1.072 153 W CA -0.789 56.500 57.345 -0.094 0.000 1.215 153 W CB 2.095 31.529 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.834 124.205 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 4.460 0.000 0.000 0.325 154 C C 0.163 175.254 174.990 0.168 0.000 1.201 154 C CA -0.389 58.684 59.018 0.090 0.000 1.377 154 C CB -0.498 27.219 27.740 -0.039 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.711 122.480 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 0.000 0.000 0.249 155 N C 0.985 176.553 175.510 0.097 0.000 1.048 155 N CA 2.065 55.161 53.050 0.078 0.000 0.714 155 N CB -1.331 37.206 38.487 0.083 0.000 0.959 155 N HN 1.872 nan 8.380 nan 0.000 0.544 156 G N -1.277 107.571 108.800 0.080 0.000 2.225 156 G HA2 -0.372 3.588 3.960 0.000 0.000 0.254 156 G HA3 -0.372 3.588 3.960 0.000 0.000 0.254 156 G C 0.174 175.242 174.900 0.281 0.000 0.988 156 G CA 0.549 45.690 45.100 0.069 0.000 0.625 156 G HN 0.550 nan 8.290 nan 0.000 0.527 157 R N -0.708 120.018 120.500 0.377 0.000 2.312 157 R HA 0.415 4.755 4.340 0.000 0.000 0.311 157 R C -0.151 176.429 176.300 0.467 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.749 31.374 30.300 0.541 0.000 1.073 157 R HN 0.249 nan 8.270 nan 0.000 0.457 158 W N 4.188 125.620 121.300 0.220 0.000 2.308 158 W HA 0.055 4.715 4.660 0.000 0.000 0.324 158 W C 0.025 176.386 176.519 -0.263 0.000 1.387 158 W CA 0.064 57.166 57.345 -0.405 0.000 1.250 158 W CB 0.616 29.848 29.460 -0.379 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.521 124.579 119.914 -1.426 0.000 2.806 159 V HA 0.542 4.662 4.120 0.000 0.000 0.239 159 V C 1.082 176.202 176.094 -1.624 0.000 1.113 159 V CA 0.974 62.492 62.300 -1.304 0.000 1.137 159 V CB -0.363 30.762 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.678 105.942 108.800 -1.966 0.000 2.340 160 G HA2 0.462 4.422 3.960 0.000 0.000 0.299 160 G HA3 0.462 4.422 3.960 0.000 0.000 0.299 160 G C -2.462 172.158 174.900 -0.468 0.000 1.291 160 G CA -0.281 44.138 45.100 -1.136 0.000 0.841 160 G HN -0.016 nan 8.290 nan 0.000 0.500 161 Y N -0.541 119.647 120.300 -0.187 0.000 2.562 161 Y HA 0.727 5.277 4.550 0.000 0.000 0.345 161 Y C -0.075 175.650 175.900 -0.292 0.000 1.045 161 Y CA -0.145 57.760 58.100 -0.326 0.000 1.028 161 Y CB 2.268 40.665 38.460 -0.105 0.000 1.297 161 Y HN 1.290 nan 8.280 nan 0.000 0.463 162 G N 3.503 111.474 108.800 -1.382 0.000 2.733 162 G HA2 0.583 4.543 3.960 0.000 0.000 0.297 162 G HA3 0.583 4.543 3.960 0.000 0.000 0.297 162 G C -2.156 172.269 174.900 -0.792 0.000 1.422 162 G CA -0.902 43.663 45.100 -0.892 0.000 0.942 162 G HN 0.605 nan 8.290 nan 0.000 0.510 163 Q N -0.030 119.552 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 0.000 0.000 0.286 163 Q C -1.330 174.658 176.000 -0.020 0.000 1.103 163 Q CA -0.882 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.735 31.431 28.738 -0.070 0.000 1.444 163 Q HN 0.637 nan 8.270 nan 0.000 0.443 164 D N -0.074 120.355 120.400 0.049 0.000 4.370 164 D HA -0.098 4.542 4.640 0.000 0.000 0.238 164 D C -0.402 175.956 176.300 0.096 0.000 1.104 164 D CA 0.550 54.596 54.000 0.077 0.000 1.101 164 D CB -0.681 40.150 40.800 0.051 0.000 0.749 164 D HN 0.569 nan 8.370 nan 0.000 0.351 165 S N 3.111 118.884 115.700 0.122 0.000 2.500 165 S HA -0.162 4.308 4.470 0.000 0.000 0.239 165 S C 1.696 176.415 174.600 0.199 0.000 0.989 165 S CA 0.999 59.300 58.200 0.169 0.000 0.951 165 S CB 0.025 63.315 63.200 0.151 0.000 0.759 165 S HN 0.642 nan 8.310 nan 0.000 0.523 166 R N 0.287 120.873 120.500 0.142 0.000 2.334 166 R HA 0.398 4.738 4.340 0.000 0.000 0.212 166 R C 0.140 176.500 176.300 0.099 0.000 0.897 166 R CA 0.069 56.255 56.100 0.143 0.000 1.056 166 R CB -0.204 30.186 30.300 0.149 0.000 1.046 166 R HN 0.342 nan 8.270 nan 0.000 0.513 167 L N 1.914 123.171 121.223 0.056 0.000 2.333 167 L HA 0.501 4.841 4.340 0.000 0.000 0.263 167 L C -2.432 174.426 176.870 -0.020 0.000 1.014 167 L CA -2.695 52.152 54.840 0.011 0.000 0.820 167 L CB 2.446 44.502 42.059 -0.004 0.000 1.352 167 L HN -0.210 nan 8.230 nan 0.000 0.421 168 P HA 0.055 nan 4.420 nan 0.000 0.265 168 P C -1.057 176.227 177.300 -0.027 0.000 1.193 168 P CA -0.045 63.027 63.100 -0.047 0.000 0.765 168 P CB 0.652 32.289 31.700 -0.105 0.000 0.823 169 S N 2.065 117.809 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 0.000 0.000 0.310 169 S C -0.349 174.262 174.600 0.018 0.000 1.096 169 S CA -0.642 57.578 58.200 0.033 0.000 1.095 169 S CB 0.918 64.244 63.200 0.209 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.474 170 E N 1.912 121.937 120.200 -0.291 0.000 2.238 170 E HA 0.615 4.965 4.350 0.000 0.000 0.267 170 E C -1.458 174.879 176.600 -0.439 0.000 0.887 170 E CA -0.629 55.674 56.400 -0.162 0.000 0.769 170 E CB 1.618 31.308 29.700 -0.016 0.000 1.187 170 E HN 0.428 nan 8.360 nan 0.000 0.416 171 F N 0.159 120.168 119.950 0.097 0.000 2.588 171 F HA 0.246 4.773 4.527 0.000 0.000 0.310 171 F C -0.071 175.758 175.800 0.049 0.000 1.082 171 F CA -1.254 56.776 58.000 0.050 0.000 0.929 171 F CB 1.185 40.184 39.000 -0.002 0.000 1.254 171 F HN 0.234 nan 8.300 nan 0.000 0.455 172 D N 2.212 122.770 120.400 0.264 0.000 2.339 172 D HA 0.232 4.872 4.640 0.000 0.000 0.256 172 D C 0.467 176.908 176.300 0.236 0.000 1.214 172 D CA 0.390 54.512 54.000 0.204 0.000 0.877 172 D CB 0.979 41.888 40.800 0.182 0.000 1.111 172 D HN 0.596 nan 8.370 nan 0.000 0.478 173 L N 2.532 123.893 121.223 0.229 0.000 2.554 173 L HA -0.038 4.302 4.340 0.000 0.000 0.225 173 L C 2.217 179.338 176.870 0.419 0.000 1.104 173 L CA -0.084 54.925 54.840 0.282 0.000 0.866 173 L CB -0.001 42.189 42.059 0.218 0.000 1.047 173 L HN 0.321 nan 8.230 nan 0.000 0.468 174 S N 1.273 117.147 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 0.000 0.000 0.266 174 S C 1.779 176.490 174.600 0.185 0.000 1.138 174 S CA 2.137 60.467 58.200 0.217 0.000 1.146 174 S CB -0.325 62.962 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.934 121.988 122.820 0.171 0.000 2.307 175 A HA 0.456 4.776 4.320 0.000 0.000 0.218 175 A C 0.929 178.389 177.584 -0.207 0.000 1.228 175 A CA 0.029 52.027 52.037 -0.064 0.000 0.857 175 A CB -0.273 18.566 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.041 118.950 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 0.000 0.000 0.313 176 F C 0.508 176.341 175.800 0.056 0.000 1.095 176 F CA -0.656 57.380 58.000 0.061 0.000 1.224 176 F CB -0.014 39.025 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.983 123.368 121.223 0.270 0.000 2.397 177 L HA 0.344 4.684 4.340 0.000 0.000 0.271 177 L C 0.415 177.334 176.870 0.082 0.000 1.148 177 L CA -0.064 54.875 54.840 0.165 0.000 0.825 177 L CB 0.728 42.906 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.461 121.972 120.500 0.018 0.000 2.787 178 R HA 0.680 5.020 4.340 0.000 0.000 0.271 178 R C -0.542 175.734 176.300 -0.039 0.000 0.993 178 R CA -0.890 55.202 56.100 -0.015 0.000 0.993 178 R CB 1.798 32.072 30.300 -0.044 0.000 1.155 178 R HN 0.703 nan 8.270 nan 0.000 0.486 179 A N 0.795 123.594 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 0.000 0.000 0.257 179 A C 0.832 178.365 177.584 -0.085 0.000 1.095 179 A CA 0.704 52.712 52.037 -0.049 0.000 0.791 179 A CB 0.128 19.109 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.041 109.776 108.800 -0.108 0.000 2.536 180 G HA2 -0.214 3.746 3.960 0.000 0.000 0.277 180 G HA3 -0.214 3.746 3.960 0.000 0.000 0.277 180 G C 0.081 174.857 174.900 -0.206 0.000 1.155 180 G CA 0.302 45.322 45.100 -0.133 0.000 0.960 180 G HN 0.977 nan 8.290 nan 0.000 0.544 181 E N 2.333 122.418 120.200 -0.191 0.000 2.265 181 E HA 0.256 4.606 4.350 0.000 0.000 0.272 181 E C -0.083 176.324 176.600 -0.322 0.000 1.067 181 E CA 0.024 56.276 56.400 -0.248 0.000 0.900 181 E CB 0.113 29.714 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.790 121.142 118.700 -0.580 0.000 2.328 182 N HA 0.396 5.136 4.740 0.000 0.000 0.299 182 N C -0.791 174.436 175.510 -0.472 0.000 1.179 182 N CA -0.629 52.058 53.050 -0.604 0.000 0.793 182 N CB 2.183 40.087 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.539 121.944 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 0.000 0.000 0.297 183 R C -1.176 175.203 176.300 0.133 0.000 0.984 183 R CA -0.508 55.599 56.100 0.012 0.000 0.884 183 R CB 1.087 31.354 30.300 -0.055 0.000 1.182 183 R HN 0.489 nan 8.270 nan 0.000 0.442 184 L N 2.989 124.347 121.223 0.225 0.000 2.307 184 L HA 0.641 4.981 4.340 0.000 0.000 0.282 184 L C -0.093 176.867 176.870 0.150 0.000 1.051 184 L CA -0.699 54.264 54.840 0.205 0.000 0.804 184 L CB 1.808 43.993 42.059 0.211 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.678 126.592 122.820 0.156 0.000 2.375 185 A HA 0.670 4.990 4.320 0.000 0.000 0.291 185 A C -0.884 177.024 177.584 0.539 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.240 19.672 19.000 -0.947 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.533 123.929 119.914 0.803 0.000 2.347 186 V HA 0.451 4.571 4.120 0.000 0.000 0.280 186 V C 0.131 176.716 176.094 0.818 0.000 1.021 186 V CA -0.243 62.504 62.300 0.746 0.000 0.847 186 V CB 1.204 33.310 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.438 126.523 119.600 0.809 0.000 2.061 187 M HA 0.555 5.035 4.480 0.000 0.000 0.346 187 M C -1.284 175.250 176.300 0.390 0.000 1.112 187 M CA -0.319 55.272 55.300 0.485 0.000 1.021 187 M CB 1.138 34.066 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.767 126.869 119.914 0.314 0.000 2.439 188 V HA 0.417 4.537 4.120 0.000 0.000 0.282 188 V C 0.032 176.277 176.094 0.253 0.000 1.039 188 V CA -0.743 61.741 62.300 0.307 0.000 0.913 188 V CB 1.180 33.224 31.823 0.367 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.751 125.060 121.223 0.143 0.000 2.334 189 L HA 0.627 4.967 4.340 0.000 0.000 0.275 189 L C 1.285 178.132 176.870 -0.038 0.000 1.036 189 L CA -0.727 54.122 54.840 0.015 0.000 0.807 189 L CB 1.318 43.268 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.637 122.023 120.500 -0.191 0.000 2.055 190 R HA 0.024 4.364 4.340 0.000 0.000 0.228 190 R C -0.283 175.677 176.300 -0.568 0.000 1.143 190 R CA 1.408 57.136 56.100 -0.620 0.000 0.945 190 R CB 0.152 29.799 30.300 -1.088 0.000 0.841 190 R HN 0.613 nan 8.270 nan 0.000 0.429 191 W N 0.550 121.901 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 0.000 0.000 0.327 191 W C -0.060 176.569 176.519 0.183 0.000 1.086 191 W CA -0.846 56.560 57.345 0.103 0.000 1.222 191 W CB 1.461 30.987 29.460 0.110 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.902 115.085 115.700 0.478 0.000 2.688 192 S HA 0.217 4.687 4.470 0.000 0.000 0.275 192 S C 0.148 175.000 174.600 0.420 0.000 1.175 192 S CA -0.545 57.948 58.200 0.488 0.000 0.818 192 S CB 1.296 64.747 63.200 0.418 0.000 1.157 192 S HN 0.619 nan 8.310 nan 0.000 0.482 193 D N 0.556 121.204 120.400 0.415 0.000 2.218 193 D HA 0.040 4.680 4.640 0.000 0.000 0.204 193 D C 1.816 178.416 176.300 0.501 0.000 0.976 193 D CA 1.264 55.545 54.000 0.468 0.000 0.853 193 D CB -0.799 40.149 40.800 0.246 0.000 0.939 193 D HN 0.699 nan 8.370 nan 0.000 0.481 194 G N 0.055 109.068 108.800 0.356 0.000 2.462 194 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 194 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 194 G C 1.725 176.801 174.900 0.292 0.000 1.121 194 G CA 0.839 46.121 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.144 115.716 115.700 0.266 0.000 2.399 195 S HA -0.103 4.367 4.470 0.000 0.000 0.231 195 S C 1.901 176.586 174.600 0.142 0.000 1.022 195 S CA 0.763 59.082 58.200 0.197 0.000 0.983 195 S CB -0.400 62.910 63.200 0.184 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 1.017 121.420 120.300 0.171 0.000 2.483 196 Y HA 0.073 4.623 4.550 0.000 0.000 0.291 196 Y C 1.501 177.497 175.900 0.160 0.000 1.143 196 Y CA 0.605 58.736 58.100 0.051 0.000 1.289 196 Y CB -0.165 38.204 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.207 121.199 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 0.000 0.000 0.240 197 L C 0.036 177.039 176.870 0.222 0.000 1.163 197 L CA 0.346 55.323 54.840 0.228 0.000 0.962 197 L CB 0.124 42.316 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.299 120.047 120.200 0.244 0.000 3.646 198 E HA 0.041 4.391 4.350 0.000 0.000 0.211 198 E C -0.454 176.252 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.529 30.348 29.700 0.199 0.000 1.202 198 E HN 0.029 nan 8.360 nan 0.000 0.447 199 D N 1.346 121.813 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 0.000 0.000 0.238 199 D C -0.173 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.003 53.951 54.000 -0.077 0.000 0.835 199 D CB 0.087 40.602 40.800 -0.476 0.000 0.975 199 D HN 0.065 nan 8.370 nan 0.000 0.490 200 Q N 0.361 120.243 119.800 0.137 0.000 2.421 200 Q HA 0.126 4.466 4.340 0.000 0.000 0.255 200 Q C -0.087 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.034 55.984 55.803 0.244 0.000 0.895 200 Q CB 0.544 29.570 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.703 123.240 120.400 0.228 0.000 2.441 201 D HA 0.194 4.834 4.640 0.000 0.000 0.243 201 D C -0.815 175.635 176.300 0.250 0.000 1.257 201 D CA 0.156 54.256 54.000 0.167 0.000 1.027 201 D CB -0.402 40.518 40.800 0.200 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.426 120.124 119.600 0.163 0.000 3.084 202 M HA 0.404 4.884 4.480 0.000 0.000 0.273 202 M C -1.262 175.140 176.300 0.171 0.000 1.242 202 M CA -1.208 54.157 55.300 0.108 0.000 0.819 202 M CB 1.063 33.656 32.600 -0.012 0.000 1.625 202 M HN -0.076 nan 8.290 nan 0.000 0.493 203 W N 1.934 123.330 121.300 0.160 0.000 2.210 203 W HA 0.350 5.010 4.660 0.000 0.000 0.330 203 W C 0.189 176.721 176.519 0.021 0.000 1.334 203 W CA -0.107 57.312 57.345 0.124 0.000 1.227 203 W CB 0.441 29.919 29.460 0.030 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.825 125.495 120.500 0.283 0.000 2.205 204 R HA 0.394 4.734 4.340 0.000 0.000 0.342 204 R C -0.154 176.171 176.300 0.042 0.000 1.058 204 R CA -0.181 56.017 56.100 0.163 0.000 0.904 204 R CB 0.099 30.546 30.300 0.246 0.000 1.089 204 R HN 0.564 nan 8.270 nan 0.000 0.471 205 M N 0.212 119.734 119.600 -0.130 0.000 2.792 205 M HA 0.527 5.007 4.480 0.000 0.000 0.290 205 M C -0.120 175.867 176.300 -0.523 0.000 1.155 205 M CA -0.747 54.357 55.300 -0.326 0.000 0.781 205 M CB 2.222 34.620 32.600 -0.337 0.000 1.741 205 M HN 0.625 nan 8.290 nan 0.000 0.473 206 S N -1.260 114.000 115.700 -0.733 0.000 2.611 206 S HA 0.934 5.404 4.470 0.000 0.000 0.268 206 S C -0.579 173.566 174.600 -0.758 0.000 1.156 206 S CA -0.272 57.398 58.200 -0.884 0.000 0.817 206 S CB 1.656 64.137 63.200 -1.199 0.000 1.122 206 S HN 1.421 nan 8.310 nan 0.000 0.466 207 G N 0.066 108.628 108.800 -0.397 0.000 2.362 207 G HA2 0.129 4.089 3.960 0.000 0.000 0.517 207 G HA3 0.129 4.089 3.960 0.000 0.000 0.517 207 G C -1.400 173.487 174.900 -0.021 0.000 1.256 207 G CA -0.576 44.548 45.100 0.040 0.000 1.027 207 G HN 1.179 nan 8.290 nan 0.000 0.491 208 I N 2.068 122.502 120.570 -0.226 0.000 2.316 208 I HA 0.290 4.460 4.170 0.000 0.000 0.286 208 I C 1.133 177.118 176.117 -0.219 0.000 1.107 208 I CA -0.284 60.780 61.300 -0.392 0.000 1.219 208 I CB -0.129 37.415 38.000 -0.759 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.099 123.913 119.950 -0.226 0.000 2.765 209 F HA 0.410 4.937 4.527 0.000 0.000 0.302 209 F C 0.699 176.436 175.800 -0.105 0.000 1.111 209 F CA -0.459 57.443 58.000 -0.164 0.000 1.359 209 F CB 0.083 38.985 39.000 -0.164 0.000 1.097 209 F HN 0.133 nan 8.300 nan 0.000 0.577 210 R N 0.565 120.658 120.500 -0.678 0.000 2.888 210 R HA 0.238 4.578 4.340 0.000 0.000 0.264 210 R C -1.037 175.097 176.300 -0.277 0.000 1.045 210 R CA -1.150 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.502 30.534 30.300 -0.445 0.000 1.210 210 R HN -0.030 nan 8.270 nan 0.000 0.479 211 D N 0.772 121.075 120.400 -0.162 0.000 2.563 211 D HA 0.070 4.710 4.640 0.000 0.000 0.229 211 D C -0.306 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.537 54.465 54.000 -0.120 0.000 0.869 211 D CB 0.372 41.138 40.800 -0.057 0.000 1.203 211 D HN 0.063 nan 8.370 nan 0.000 0.478 212 V N 1.172 121.004 119.914 -0.137 0.000 2.487 212 V HA 0.602 4.722 4.120 0.000 0.000 0.298 212 V C 0.009 176.016 176.094 -0.144 0.000 1.028 212 V CA -0.518 61.658 62.300 -0.208 0.000 0.860 212 V CB 1.796 33.518 31.823 -0.169 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.195 119.772 115.700 -0.205 0.000 2.651 213 S HA 0.802 5.272 4.470 0.000 0.000 0.279 213 S C -1.184 173.368 174.600 -0.081 0.000 1.148 213 S CA -0.716 57.426 58.200 -0.097 0.000 0.837 213 S CB 2.028 65.198 63.200 -0.050 0.000 1.138 213 S HN 0.522 nan 8.310 nan 0.000 0.478 214 L N 1.888 123.132 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 0.000 0.000 0.271 214 L C -1.514 175.464 176.870 0.181 0.000 0.993 214 L CA -0.751 54.174 54.840 0.142 0.000 0.819 214 L CB 1.811 44.056 42.059 0.309 0.000 1.294 214 L HN 0.504 nan 8.230 nan 0.000 0.414 215 L N 2.294 123.575 121.223 0.097 0.000 2.410 215 L HA 0.503 4.843 4.340 0.000 0.000 0.270 215 L C -1.092 175.664 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.560 54.840 -0.027 0.000 0.822 215 L CB 1.734 43.788 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.902 122.631 119.070 -0.567 0.000 2.541 216 H HA 0.576 5.132 4.556 0.000 0.000 0.316 216 H C -1.182 173.854 175.328 -0.486 0.000 1.043 216 H CA -0.188 55.367 56.048 -0.822 0.000 1.232 216 H CB 0.946 29.624 29.762 -1.807 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.452 125.364 120.400 -0.813 0.000 2.385 217 K HA 0.424 4.744 4.320 0.000 0.000 0.248 217 K C -2.721 173.513 176.600 -0.609 0.000 0.955 217 K CA -2.450 53.488 56.287 -0.581 0.000 0.816 217 K CB 1.776 34.047 32.500 -0.380 0.000 1.250 217 K HN 0.428 nan 8.250 nan 0.000 0.434 218 P HA -0.005 nan 4.420 nan 0.000 0.271 218 P C 0.194 177.365 177.300 -0.216 0.000 1.233 218 P CA -0.130 62.813 63.100 -0.260 0.000 0.789 218 P CB 0.483 32.086 31.700 -0.163 0.000 0.951 219 T N -2.598 111.867 114.554 -0.147 0.000 2.867 219 T HA -0.043 4.307 4.350 0.000 0.000 0.268 219 T C 0.672 175.303 174.700 -0.115 0.000 1.057 219 T CA 1.270 63.301 62.100 -0.114 0.000 1.136 219 T CB -0.809 68.016 68.868 -0.071 0.000 0.874 219 T HN 0.319 nan 8.240 nan 0.000 0.466 220 T N 3.404 117.889 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 0.000 0.000 0.317 220 T C -0.280 174.335 174.700 -0.142 0.000 1.059 220 T CA -0.795 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.670 69.473 68.868 -0.108 0.000 0.994 220 T HN 0.584 nan 8.240 nan 0.000 0.479 221 Q N 2.507 122.206 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 0.000 0.000 0.296 221 Q C -0.960 174.930 176.000 -0.183 0.000 1.056 221 Q CA -1.228 54.461 55.803 -0.191 0.000 0.778 221 Q CB 1.493 30.081 28.738 -0.251 0.000 1.497 221 Q HN 0.412 nan 8.270 nan 0.000 0.443 222 I N 2.560 122.997 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 0.000 0.000 0.289 222 I C 0.679 176.627 176.117 -0.280 0.000 1.083 222 I CA 0.054 61.241 61.300 -0.188 0.000 1.372 222 I CB 0.998 38.852 38.000 -0.243 0.000 1.408 222 I HN 0.830 nan 8.210 nan 0.000 0.516 223 S N 2.842 118.497 115.700 -0.076 0.000 2.502 223 S HA 0.186 4.656 4.470 0.000 0.000 0.215 223 S C 0.178 174.967 174.600 0.316 0.000 1.009 223 S CA -0.254 57.962 58.200 0.026 0.000 0.908 223 S CB 0.316 63.525 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.333 120.262 120.400 0.325 0.000 2.720 224 D HA 0.503 5.143 4.640 0.000 0.000 0.239 224 D C -1.834 174.676 176.300 0.349 0.000 1.218 224 D CA -0.735 53.503 54.000 0.396 0.000 0.748 224 D CB 1.473 42.397 40.800 0.205 0.000 1.387 224 D HN 0.219 nan 8.370 nan 0.000 0.438 225 F N -0.381 119.618 119.950 0.082 0.000 2.665 225 F HA 0.670 5.197 4.527 0.000 0.000 0.308 225 F C -1.637 174.216 175.800 0.088 0.000 1.112 225 F CA -0.737 57.234 58.000 -0.049 0.000 0.972 225 F CB 1.313 40.341 39.000 0.047 0.000 1.295 225 F HN 0.303 nan 8.300 nan 0.000 0.440 226 H N 1.527 120.591 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 0.000 0.000 0.371 226 H C -1.426 173.888 175.328 -0.023 0.000 1.151 226 H CA -1.540 54.437 56.048 -0.118 0.000 1.165 226 H CB 2.748 32.464 29.762 -0.078 0.000 1.722 226 H HN 0.651 nan 8.280 nan 0.000 0.543 227 V N 1.327 121.286 119.914 0.075 0.000 2.715 227 V HA 0.807 4.927 4.120 0.000 0.000 0.310 227 V C -0.712 175.361 176.094 -0.036 0.000 1.054 227 V CA -0.440 61.872 62.300 0.019 0.000 0.928 227 V CB 1.682 33.496 31.823 -0.015 0.000 1.007 227 V HN 0.965 nan 8.190 nan 0.000 0.437 228 A N 2.432 125.212 122.820 -0.067 0.000 2.520 228 A HA 0.841 5.161 4.320 0.000 0.000 0.298 228 A C -0.486 177.012 177.584 -0.145 0.000 1.051 228 A CA -0.339 51.648 52.037 -0.085 0.000 0.690 228 A CB 2.083 21.056 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.025 114.486 114.554 -0.155 0.000 2.792 229 T HA 0.779 5.129 4.350 0.000 0.000 0.280 229 T C -0.394 174.154 174.700 -0.253 0.000 0.990 229 T CA -0.665 61.279 62.100 -0.260 0.000 0.960 229 T CB 1.153 69.832 68.868 -0.316 0.000 0.939 229 T HN 0.694 nan 8.240 nan 0.000 0.439 230 R N 1.781 122.044 120.500 -0.396 0.000 2.711 230 R HA 0.773 5.114 4.340 0.000 0.000 0.284 230 R C -1.181 174.752 176.300 -0.613 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.559 31.786 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.230 120.186 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 0.000 0.000 0.328 231 F C 0.417 176.109 175.800 -0.180 0.000 1.067 231 F CA -1.189 56.767 58.000 -0.073 0.000 0.969 231 F CB 0.934 39.827 39.000 -0.178 0.000 1.332 231 F HN 0.510 nan 8.300 nan 0.000 0.490 232 N N -0.025 118.677 118.700 0.003 0.000 2.448 232 N HA 0.088 4.828 4.740 0.000 0.000 0.274 232 N C 0.586 175.953 175.510 -0.238 0.000 1.239 232 N CA -0.176 52.824 53.050 -0.083 0.000 0.982 232 N CB 0.082 38.542 38.487 -0.045 0.000 1.199 232 N HN 0.705 nan 8.380 nan 0.000 0.576 233 D N -0.622 119.678 120.400 -0.166 0.000 2.170 233 D HA -0.288 4.352 4.640 0.000 0.000 0.193 233 D C 0.389 176.553 176.300 -0.226 0.000 1.004 233 D CA 2.073 55.970 54.000 -0.171 0.000 0.860 233 D CB -0.511 40.250 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.819 118.494 120.400 -0.145 0.000 2.431 234 D HA 0.009 4.649 4.640 0.000 0.000 0.213 234 D C 0.396 176.801 176.300 0.175 0.000 1.130 234 D CA -0.707 53.312 54.000 0.032 0.000 0.834 234 D CB -1.007 39.839 40.800 0.076 0.000 0.985 234 D HN 0.287 nan 8.370 nan 0.000 0.504 235 F N 0.276 120.285 119.950 0.099 0.000 2.953 235 F HA -0.301 4.226 4.527 0.000 0.000 0.292 235 F C 1.685 177.570 175.800 0.141 0.000 0.747 235 F CA 0.773 58.855 58.000 0.137 0.000 1.222 235 F CB -2.390 36.596 39.000 -0.023 0.000 1.457 235 F HN 0.198 nan 8.300 nan 0.000 0.383 236 S N -0.727 115.084 115.700 0.186 0.000 2.527 236 S HA 0.160 4.630 4.470 0.000 0.000 0.222 236 S C 0.656 175.308 174.600 0.086 0.000 0.985 236 S CA 0.529 58.803 58.200 0.124 0.000 0.921 236 S CB 0.406 63.652 63.200 0.077 0.000 0.772 236 S HN 0.526 nan 8.310 nan 0.000 0.529 237 R N -0.153 120.406 120.500 0.098 0.000 2.584 237 R HA 0.687 5.027 4.340 0.000 0.000 0.276 237 R C -1.604 174.710 176.300 0.022 0.000 1.046 237 R CA -0.104 56.015 56.100 0.032 0.000 0.906 237 R CB 1.802 32.104 30.300 0.004 0.000 1.215 237 R HN 0.264 nan 8.270 nan 0.000 0.449 238 A N 2.466 125.240 122.820 -0.077 0.000 2.479 238 A HA 0.781 5.101 4.320 0.000 0.000 0.296 238 A C -1.491 176.003 177.584 -0.149 0.000 1.121 238 A CA -0.638 51.275 52.037 -0.207 0.000 0.743 238 A CB 2.192 21.028 19.000 -0.272 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.213 121.020 119.914 -0.178 0.000 2.525 239 V HA 0.430 4.550 4.120 0.000 0.000 0.299 239 V C -0.938 175.107 176.094 -0.083 0.000 1.034 239 V CA -0.366 61.874 62.300 -0.100 0.000 0.863 239 V CB 1.325 33.087 31.823 -0.102 0.000 0.999 239 V HN 0.848 nan 8.190 nan 0.000 0.423 240 L N 4.671 125.880 121.223 -0.023 0.000 2.292 240 L HA 0.659 4.999 4.340 0.000 0.000 0.284 240 L C -0.093 176.741 176.870 -0.060 0.000 1.065 240 L CA 0.444 55.248 54.840 -0.059 0.000 0.806 240 L CB 1.257 43.304 42.059 -0.021 0.000 1.175 240 L HN 0.846 nan 8.230 nan 0.000 0.431 241 E N 4.736 124.895 120.200 -0.068 0.000 2.218 241 E HA 0.730 5.080 4.350 0.000 0.000 0.263 241 E C -1.746 174.843 176.600 -0.018 0.000 0.879 241 E CA -0.839 55.536 56.400 -0.042 0.000 0.762 241 E CB 1.548 31.222 29.700 -0.043 0.000 1.166 241 E HN 0.848 nan 8.360 nan 0.000 0.415 242 A N 4.360 127.176 122.820 -0.006 0.000 2.331 242 A HA 0.475 4.795 4.320 0.000 0.000 0.320 242 A C -0.853 176.735 177.584 0.006 0.000 1.138 242 A CA -0.711 51.345 52.037 0.031 0.000 0.790 242 A CB 1.353 20.383 19.000 0.051 0.000 1.206 242 A HN 0.761 nan 8.150 nan 0.000 0.470 243 E N 2.221 122.426 120.200 0.008 0.000 2.176 243 E HA 0.604 4.954 4.350 0.000 0.000 0.267 243 E C -1.647 174.906 176.600 -0.078 0.000 0.893 243 E CA -0.518 55.844 56.400 -0.063 0.000 0.761 243 E CB 1.663 31.302 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.126 124.008 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 0.000 0.000 0.305 244 V C -0.523 175.616 176.094 0.075 0.000 1.043 244 V CA -0.787 61.522 62.300 0.016 0.000 0.888 244 V CB 1.681 33.493 31.823 -0.019 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.010 123.871 119.800 0.102 0.000 2.377 245 Q HA 0.842 5.182 4.340 0.000 0.000 0.271 245 Q C -0.879 175.189 176.000 0.113 0.000 1.077 245 Q CA -0.880 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.850 31.592 28.738 0.006 0.000 1.347 245 Q HN 0.842 nan 8.270 nan 0.000 0.444 246 M N -0.990 118.615 119.600 0.008 0.000 2.662 246 M HA 0.769 5.249 4.480 0.000 0.000 0.310 246 M C -1.341 174.853 176.300 -0.177 0.000 1.204 246 M CA -0.463 54.744 55.300 -0.156 0.000 0.891 246 M CB 2.070 34.394 32.600 -0.460 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.573 120.774 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 0.000 0.000 0.319 247 C C 0.657 175.551 174.990 -0.161 0.000 1.198 247 C CA 0.927 59.865 59.018 -0.135 0.000 1.665 247 C CB 0.875 28.556 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.467 112.186 108.800 -0.136 0.000 2.342 248 G HA2 0.081 4.041 3.960 0.000 0.000 0.220 248 G HA3 0.081 4.041 3.960 0.000 0.000 0.220 248 G C -1.173 173.645 174.900 -0.136 0.000 1.243 248 G CA -0.118 44.904 45.100 -0.130 0.000 1.083 248 G HN 0.903 nan 8.290 nan 0.000 0.500 249 E N 0.604 120.727 120.200 -0.128 0.000 2.001 249 E HA 0.624 4.974 4.350 0.000 0.000 0.279 249 E C 0.144 176.640 176.600 -0.173 0.000 1.045 249 E CA -0.782 55.546 56.400 -0.119 0.000 0.833 249 E CB 1.097 30.754 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.427 125.537 121.223 -0.188 0.000 2.418 250 L HA 0.278 4.617 4.340 0.000 0.000 0.274 250 L C -0.035 176.715 176.870 -0.200 0.000 1.135 250 L CA 0.023 54.722 54.840 -0.236 0.000 0.870 250 L CB 0.208 42.144 42.059 -0.205 0.000 1.154 250 L HN 0.491 nan 8.230 nan 0.000 0.462 251 R N 2.775 123.096 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 0.000 0.000 0.277 251 R C 0.096 176.162 176.300 -0.390 0.000 0.987 251 R CA -0.657 55.234 56.100 -0.349 0.000 0.901 251 R CB 1.648 31.557 30.300 -0.652 0.000 1.207 251 R HN 0.640 nan 8.270 nan 0.000 0.463 252 D N 1.264 121.551 120.400 -0.188 0.000 2.378 252 D HA -0.159 4.481 4.640 0.000 0.000 0.222 252 D C 1.021 177.295 176.300 -0.043 0.000 0.980 252 D CA 1.195 55.153 54.000 -0.070 0.000 0.907 252 D CB -0.011 40.804 40.800 0.024 0.000 0.899 252 D HN 0.678 nan 8.370 nan 0.000 0.527 253 Y N -0.151 120.159 120.300 0.016 0.000 2.466 253 Y HA 0.355 4.905 4.550 0.000 0.000 0.272 253 Y C 1.027 176.932 175.900 0.008 0.000 1.169 253 Y CA -0.875 57.234 58.100 0.015 0.000 1.285 253 Y CB -0.474 37.995 38.460 0.015 0.000 1.078 253 Y HN -0.230 nan 8.280 nan 0.000 0.523 254 L N 2.892 123.925 121.223 -0.317 0.000 2.461 254 L HA 0.283 4.623 4.340 0.000 0.000 0.272 254 L C 0.255 177.074 176.870 -0.086 0.000 1.197 254 L CA 0.074 54.821 54.840 -0.154 0.000 0.836 254 L CB 0.433 42.431 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.932 122.288 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 0.000 0.000 0.270 255 R C -1.532 174.445 176.300 -0.538 0.000 1.010 255 R CA -0.823 55.020 56.100 -0.428 0.000 0.916 255 R CB 2.304 32.275 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.758 120.421 119.914 -0.418 0.000 2.709 256 V HA 0.521 4.641 4.120 0.000 0.000 0.308 256 V C -0.535 175.504 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.565 62.300 -0.274 0.000 0.901 256 V CB 2.431 34.020 31.823 -0.390 0.000 1.003 256 V HN 0.770 nan 8.190 nan 0.000 0.425 257 T N 3.518 118.104 114.554 0.055 0.000 2.861 257 T HA 0.689 5.039 4.350 0.000 0.000 0.287 257 T C -0.906 173.803 174.700 0.016 0.000 1.003 257 T CA -0.463 61.683 62.100 0.076 0.000 0.977 257 T CB 1.904 70.875 68.868 0.170 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.213 123.121 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 0.000 0.000 0.301 258 V C -0.423 175.662 176.094 -0.016 0.000 1.034 258 V CA -0.814 61.478 62.300 -0.014 0.000 0.865 258 V CB 1.901 33.706 31.823 -0.029 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.094 120.804 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 0.000 0.000 0.287 259 S C -1.091 173.491 174.600 -0.030 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.061 0.000 0.950 259 S CB 2.368 65.562 63.200 -0.009 0.000 1.056 259 S HN 0.538 nan 8.310 nan 0.000 0.481 260 L N 2.082 123.181 121.223 -0.207 0.000 2.356 260 L HA 0.779 5.119 4.340 0.000 0.000 0.277 260 L C -2.031 174.718 176.870 -0.202 0.000 0.996 260 L CA -0.305 54.511 54.840 -0.041 0.000 0.822 260 L CB 0.842 42.897 42.059 -0.006 0.000 1.256 260 L HN 0.877 nan 8.230 nan 0.000 0.413 261 W N 3.195 124.597 121.300 0.170 0.000 2.736 261 W HA 0.569 5.229 4.660 0.000 0.000 0.335 261 W C -0.520 176.115 176.519 0.193 0.000 1.059 261 W CA -0.536 56.899 57.345 0.149 0.000 1.226 261 W CB 1.587 31.087 29.460 0.068 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.478 122.496 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 0.000 0.000 0.239 262 Q C 0.767 176.834 176.000 0.113 0.000 1.101 262 Q CA 0.685 56.548 55.803 0.100 0.000 0.918 262 Q CB 0.200 28.937 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.431 111.298 108.800 0.111 0.000 2.950 263 G HA2 -0.357 3.603 3.960 0.000 0.000 0.299 263 G HA3 -0.357 3.603 3.960 0.000 0.000 0.299 263 G C 0.694 175.657 174.900 0.105 0.000 1.310 263 G CA 0.332 45.470 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.315 121.588 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 0.000 0.000 0.195 264 E C 1.273 178.078 176.600 0.341 0.000 0.975 264 E CA 0.983 57.468 56.400 0.142 0.000 0.878 264 E CB -0.055 29.689 29.700 0.074 0.000 0.845 264 E HN 0.523 nan 8.360 nan 0.000 0.488 265 T N 1.624 116.357 114.554 0.298 0.000 2.869 265 T HA 0.154 4.504 4.350 0.000 0.000 0.295 265 T C 0.221 175.038 174.700 0.195 0.000 0.987 265 T CA -0.237 62.003 62.100 0.234 0.000 1.109 265 T CB 1.422 70.356 68.868 0.110 0.000 0.932 265 T HN -0.051 nan 8.240 nan 0.000 0.518 266 Q N 2.818 122.522 119.800 -0.159 0.000 2.296 266 Q HA 0.299 4.639 4.340 0.000 0.000 0.257 266 Q C 0.177 175.942 176.000 -0.391 0.000 0.942 266 Q CA -0.487 54.828 55.803 -0.813 0.000 0.939 266 Q CB 0.918 28.868 28.738 -1.312 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.711 122.432 119.914 -0.322 0.000 2.685 267 V HA 0.297 4.417 4.120 0.000 0.000 0.244 267 V C 0.416 176.414 176.094 -0.159 0.000 1.054 267 V CA 1.139 63.358 62.300 -0.135 0.000 1.076 267 V CB 0.157 31.997 31.823 0.029 0.000 0.725 267 V HN 0.798 nan 8.190 nan 0.000 0.467 268 A N -1.353 121.331 122.820 -0.225 0.000 2.599 268 A HA 0.751 5.071 4.320 0.000 0.000 0.294 268 A C -0.828 176.636 177.584 -0.200 0.000 1.055 268 A CA -0.129 51.804 52.037 -0.173 0.000 0.683 268 A CB 1.794 20.728 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.174 114.439 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 0.000 0.000 0.271 269 S C -0.521 174.035 174.600 -0.075 0.000 1.135 269 S CA 0.148 58.278 58.200 -0.116 0.000 0.858 269 S CB 1.948 65.075 63.200 -0.122 0.000 1.114 269 S HN 2.266 nan 8.310 nan 0.000 0.468 270 G N 1.338 110.105 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 0.000 0.000 0.297 270 G C -1.486 173.396 174.900 -0.031 0.000 1.434 270 G CA -0.349 44.724 45.100 -0.045 0.000 0.980 270 G HN 0.646 nan 8.290 nan 0.000 0.531 271 T N 0.050 114.588 114.554 -0.026 0.000 2.876 271 T HA 0.884 5.234 4.350 0.000 0.000 0.289 271 T C -0.161 174.508 174.700 -0.052 0.000 1.014 271 T CA 0.126 62.219 62.100 -0.013 0.000 0.986 271 T CB 1.769 70.664 68.868 0.045 0.000 1.021 271 T HN 1.653 nan 8.240 nan 0.000 0.458 272 A N 3.604 126.362 122.820 -0.103 0.000 2.566 272 A HA 0.901 5.221 4.320 0.000 0.000 0.290 272 A C -3.219 174.231 177.584 -0.222 0.000 1.071 272 A CA -1.461 50.494 52.037 -0.136 0.000 0.658 272 A CB 1.251 20.169 19.000 -0.137 0.000 1.285 272 A HN 0.524 nan 8.150 nan 0.000 0.427 273 P HA 0.631 nan 4.420 nan 0.000 0.287 273 P C -0.712 176.474 177.300 -0.191 0.000 1.279 273 P CA -0.452 62.558 63.100 -0.151 0.000 0.867 273 P CB 0.487 32.161 31.700 -0.044 0.000 1.127 274 F N 0.769 120.670 119.950 -0.082 0.000 2.539 274 F HA 0.407 4.934 4.527 0.000 0.000 0.340 274 F C 1.585 177.363 175.800 -0.037 0.000 1.185 274 F CA 1.888 59.850 58.000 -0.062 0.000 1.333 274 F CB -0.085 38.870 39.000 -0.074 0.000 1.152 274 F HN 0.599 nan 8.300 nan 0.000 0.602 275 G N 1.344 110.264 108.800 0.200 0.000 3.393 275 G HA2 0.350 4.310 3.960 0.000 0.000 0.676 275 G HA3 0.350 4.310 3.960 0.000 0.000 0.676 275 G C -0.433 174.513 174.900 0.076 0.000 1.224 275 G CA -0.793 44.380 45.100 0.121 0.000 1.109 275 G HN 1.052 nan 8.290 nan 0.000 0.519 276 G N 0.624 109.488 108.800 0.107 0.000 2.588 276 G HA2 0.674 4.634 3.960 0.000 0.000 0.281 276 G HA3 0.674 4.634 3.960 0.000 0.000 0.281 276 G C 0.164 175.100 174.900 0.059 0.000 1.236 276 G CA -0.394 44.760 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.942 119.290 120.200 0.052 0.000 2.374 277 E HA 0.311 4.661 4.350 0.000 0.000 0.260 277 E C -0.272 176.347 176.600 0.032 0.000 1.101 277 E CA -0.481 55.938 56.400 0.032 0.000 0.907 277 E CB 0.817 30.533 29.700 0.027 0.000 1.014 277 E HN 0.218 nan 8.360 nan 0.000 0.427 278 I N 2.478 123.056 120.570 0.013 0.000 2.683 278 I HA -0.080 4.090 4.170 0.000 0.000 0.286 278 I C 1.221 177.342 176.117 0.007 0.000 1.175 278 I CA 0.607 61.907 61.300 -0.000 0.000 1.429 278 I CB 0.154 38.150 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.761 122.328 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 0.000 0.000 0.305 279 I C -0.257 175.857 176.117 -0.006 0.000 1.247 279 I CA 0.318 61.624 61.300 0.011 0.000 1.350 279 I CB 0.386 38.415 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.015 120.369 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 0.000 0.000 0.329 280 D C 0.275 176.558 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.615 41.401 40.800 -0.023 0.000 1.435 280 D HN -0.156 nan 8.370 nan 0.000 0.548 281 E N -0.881 119.305 120.200 -0.024 0.000 2.267 281 E HA -0.052 4.298 4.350 0.000 0.000 0.197 281 E C 1.452 178.033 176.600 -0.032 0.000 0.998 281 E CA 1.008 57.394 56.400 -0.023 0.000 0.830 281 E CB -0.051 29.638 29.700 -0.018 0.000 0.751 281 E HN 0.246 nan 8.360 nan 0.000 0.491 282 R N -0.499 119.974 120.500 -0.046 0.000 2.300 282 R HA 0.251 4.591 4.340 0.000 0.000 0.199 282 R C 0.769 177.027 176.300 -0.070 0.000 0.920 282 R CA 0.660 56.727 56.100 -0.056 0.000 1.046 282 R CB 0.797 31.059 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.489 108.268 108.800 -0.072 0.000 2.295 283 G HA2 -0.061 3.899 3.960 0.000 0.000 0.195 283 G HA3 -0.061 3.899 3.960 0.000 0.000 0.195 283 G C -0.508 174.331 174.900 -0.101 0.000 1.269 283 G CA -0.651 44.405 45.100 -0.073 0.000 1.170 283 G HN 0.381 nan 8.290 nan 0.000 0.511 284 G N -1.828 106.908 108.800 -0.108 0.000 3.140 284 G HA2 0.650 4.610 3.960 0.000 0.000 0.271 284 G HA3 0.650 4.610 3.960 0.000 0.000 0.271 284 G C -1.536 173.238 174.900 -0.210 0.000 1.370 284 G CA -0.804 44.228 45.100 -0.112 0.000 1.014 284 G HN 0.711 nan 8.290 nan 0.000 0.541 285 Y N 0.686 120.998 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 0.000 0.000 0.344 285 Y C 1.410 177.333 175.900 0.039 0.000 0.995 285 Y CA 0.190 58.305 58.100 0.026 0.000 1.201 285 Y CB 1.865 40.347 38.460 0.036 0.000 1.151 285 Y HN 0.539 nan 8.280 nan 0.000 0.517 286 A N 1.893 124.793 122.820 0.133 0.000 2.016 286 A HA -0.118 4.202 4.320 0.000 0.000 0.217 286 A C 1.239 178.902 177.584 0.132 0.000 1.162 286 A CA 1.269 53.366 52.037 0.100 0.000 0.662 286 A CB -0.238 18.779 19.000 0.029 0.000 0.812 286 A HN 0.793 nan 8.150 nan 0.000 0.450 287 D N -0.320 120.155 120.400 0.126 0.000 2.561 287 D HA 0.161 4.801 4.640 0.000 0.000 0.232 287 D C 0.326 176.758 176.300 0.220 0.000 1.198 287 D CA -0.111 53.899 54.000 0.016 0.000 0.826 287 D CB -0.136 40.624 40.800 -0.068 0.000 0.992 287 D HN 0.430 nan 8.370 nan 0.000 0.490 288 R N -1.042 119.696 120.500 0.396 0.000 2.781 288 R HA 0.754 5.094 4.340 0.000 0.000 0.269 288 R C -1.600 174.825 176.300 0.209 0.000 1.025 288 R CA -1.228 55.063 56.100 0.318 0.000 0.914 288 R CB 2.741 33.088 30.300 0.078 0.000 1.236 288 R HN -0.015 nan 8.270 nan 0.000 0.465 289 V N 0.163 120.075 119.914 -0.003 0.000 3.000 289 V HA 0.497 4.617 4.120 0.000 0.000 0.300 289 V C -1.597 174.426 176.094 -0.118 0.000 1.251 289 V CA -0.246 61.975 62.300 -0.132 0.000 0.972 289 V CB 2.683 34.268 31.823 -0.396 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.452 121.956 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 0.000 0.000 0.280 290 T C -0.712 173.947 174.700 -0.069 0.000 0.990 290 T CA -0.208 61.853 62.100 -0.065 0.000 0.960 290 T CB 1.167 70.015 68.868 -0.034 0.000 0.939 290 T HN 0.534 nan 8.240 nan 0.000 0.439 291 L N 3.061 124.244 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.980 4.340 0.000 0.000 0.271 291 L C 0.410 177.252 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.067 54.840 -0.061 0.000 0.816 291 L CB 1.439 43.457 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.225 123.697 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 0.000 0.000 0.308 292 R C -1.529 174.745 176.300 -0.044 0.000 0.975 292 R CA -0.607 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.329 31.604 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.827 124.026 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.799 4.340 0.000 0.000 0.284 293 L C -0.025 176.819 176.870 -0.043 0.000 1.023 293 L CA -1.086 53.728 54.840 -0.043 0.000 0.810 293 L CB 1.331 43.366 42.059 -0.041 0.000 1.231 293 L HN 0.425 nan 8.230 nan 0.000 0.423 294 N N 2.351 121.019 118.700 -0.053 0.000 2.479 294 N HA 0.445 5.185 4.740 0.000 0.000 0.285 294 N C -0.864 174.599 175.510 -0.078 0.000 1.075 294 N CA -0.308 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.767 41.221 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.859 121.709 119.914 -0.107 0.000 2.525 295 V HA 0.218 4.338 4.120 0.000 0.000 0.299 295 V C -0.099 175.908 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.103 33.732 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.674 123.814 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.682 4.350 0.000 0.000 0.277 296 E C -0.153 176.415 176.600 -0.052 0.000 0.999 296 E CA -0.498 55.866 56.400 -0.060 0.000 0.827 296 E CB 0.845 30.524 29.700 -0.034 0.000 1.101 296 E HN 0.669 nan 8.360 nan 0.000 0.393 297 N N 1.666 120.355 118.700 -0.018 0.000 2.688 297 N HA -0.115 4.625 4.740 0.000 0.000 0.258 297 N C -2.340 173.163 175.510 -0.012 0.000 1.016 297 N CA 0.375 53.431 53.050 0.009 0.000 0.747 297 N CB -1.172 37.325 38.487 0.018 0.000 0.895 297 N HN 0.369 nan 8.380 nan 0.000 0.543 298 P HA 0.096 nan 4.420 nan 0.000 0.270 298 P C -0.016 177.299 177.300 0.024 0.000 1.223 298 P CA 0.285 63.269 63.100 -0.194 0.000 0.785 298 P CB 0.821 32.152 31.700 -0.614 0.000 0.923 299 K N 1.537 122.043 120.400 0.176 0.000 2.234 299 K HA 0.379 4.699 4.320 0.000 0.000 0.277 299 K C -0.068 176.698 176.600 0.277 0.000 1.038 299 K CA -0.506 55.892 56.287 0.185 0.000 0.888 299 K CB 0.433 33.018 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.572 123.883 121.223 0.148 0.000 2.395 300 L HA 0.297 4.637 4.340 0.000 0.000 0.269 300 L C -0.075 176.874 176.870 0.131 0.000 1.133 300 L CA -0.690 54.238 54.840 0.146 0.000 0.812 300 L CB 0.399 42.389 42.059 -0.115 0.000 1.125 300 L HN 0.597 nan 8.230 nan 0.000 0.452 301 W N 3.188 124.513 121.300 0.041 0.000 2.376 301 W HA 0.478 5.138 4.660 0.000 0.000 0.322 301 W C 0.087 176.543 176.519 -0.105 0.000 1.160 301 W CA 0.113 57.461 57.345 0.005 0.000 1.218 301 W CB 1.357 30.865 29.460 0.081 0.000 1.205 301 W HN 0.618 nan 8.180 nan 0.000 0.559 302 S N 2.870 117.975 115.700 -0.993 0.000 2.615 302 S HA 0.632 5.102 4.470 0.000 0.000 0.269 302 S C -0.007 173.827 174.600 -1.277 0.000 1.161 302 S CA -0.336 57.362 58.200 -0.836 0.000 0.817 302 S CB 1.089 63.996 63.200 -0.489 0.000 1.131 302 S HN 1.036 nan 8.310 nan 0.000 0.467 303 A N 0.394 122.646 122.820 -0.946 0.000 2.066 303 A HA 0.126 4.446 4.320 0.000 0.000 0.218 303 A C 1.700 178.969 177.584 -0.526 0.000 1.157 303 A CA 1.244 52.719 52.037 -0.937 0.000 0.670 303 A CB -0.849 17.473 19.000 -1.130 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.777 119.240 120.200 -0.303 0.000 2.112 304 E HA 0.085 4.435 4.350 0.000 0.000 0.190 304 E C -0.289 176.177 176.600 -0.223 0.000 0.979 304 E CA 0.679 56.968 56.400 -0.185 0.000 0.814 304 E CB 0.076 29.796 29.700 0.032 0.000 0.762 304 E HN 0.590 nan 8.360 nan 0.000 0.460 305 I N 1.416 121.807 120.570 -0.298 0.000 2.576 305 I HA 0.146 4.316 4.170 0.000 0.000 0.279 305 I C -2.601 173.277 176.117 -0.398 0.000 1.114 305 I CA -1.864 59.283 61.300 -0.254 0.000 1.076 305 I CB 2.204 40.105 38.000 -0.165 0.000 1.212 305 I HN -0.235 nan 8.210 nan 0.000 0.472 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.583 176.704 177.300 -0.022 0.000 1.783 306 P CA -0.160 62.646 63.100 -0.491 0.000 0.980 306 P CB -0.353 31.239 31.700 -0.180 0.000 1.967 307 N N 1.879 120.590 118.700 0.017 0.000 2.468 307 N HA 0.120 4.860 4.740 0.000 0.000 0.265 307 N C 0.134 175.869 175.510 0.376 0.000 1.199 307 N CA 0.357 53.495 53.050 0.147 0.000 0.928 307 N CB 0.843 39.403 38.487 0.121 0.000 1.059 307 N HN 0.273 nan 8.380 nan 0.000 0.467 308 L N 2.239 123.603 121.223 0.235 0.000 2.319 308 L HA 0.526 4.866 4.340 0.000 0.000 0.267 308 L C -0.802 176.156 176.870 0.146 0.000 1.011 308 L CA -0.890 54.116 54.840 0.277 0.000 0.818 308 L CB 1.152 43.338 42.059 0.211 0.000 1.316 308 L HN 0.390 nan 8.230 nan 0.000 0.432 309 Y N -0.078 120.349 120.300 0.211 0.000 2.602 309 Y HA 0.577 5.127 4.550 0.000 0.000 0.342 309 Y C -0.324 175.683 175.900 0.179 0.000 1.029 309 Y CA -0.828 57.404 58.100 0.219 0.000 1.080 309 Y CB 2.053 40.692 38.460 0.298 0.000 1.284 309 Y HN 0.384 nan 8.280 nan 0.000 0.485 310 R N 1.187 121.923 120.500 0.394 0.000 2.445 310 R HA 0.860 5.200 4.340 0.000 0.000 0.308 310 R C -1.514 174.990 176.300 0.340 0.000 0.961 310 R CA -0.618 55.651 56.100 0.283 0.000 0.862 310 R CB 1.044 31.429 30.300 0.141 0.000 1.144 310 R HN 0.793 nan 8.270 nan 0.000 0.447 311 A N 3.756 126.716 122.820 0.232 0.000 2.343 311 A HA 0.613 4.933 4.320 0.000 0.000 0.316 311 A C -1.188 176.479 177.584 0.138 0.000 1.104 311 A CA -0.644 51.520 52.037 0.212 0.000 0.768 311 A CB 1.593 20.689 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.386 122.390 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 0.000 0.000 0.302 312 V C -0.448 175.643 176.094 -0.005 0.000 1.035 312 V CA -0.639 61.690 62.300 0.049 0.000 0.873 312 V CB 1.583 33.451 31.823 0.076 0.000 0.992 312 V HN 0.620 nan 8.190 nan 0.000 0.428 313 V N 4.725 124.575 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 0.000 0.000 0.285 313 V C -0.173 175.874 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.147 0.000 0.831 313 V CB 1.331 32.930 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.014 125.214 120.200 -0.000 0.000 2.176 314 E HA 0.564 4.914 4.350 0.000 0.000 0.267 314 E C -1.118 175.565 176.600 0.138 0.000 0.893 314 E CA -1.064 55.381 56.400 0.074 0.000 0.761 314 E CB 2.810 32.573 29.700 0.104 0.000 1.133 314 E HN 0.417 nan 8.360 nan 0.000 0.409 315 L N 5.302 126.579 121.223 0.091 0.000 2.261 315 L HA 0.271 4.611 4.340 0.000 0.000 0.289 315 L C -0.599 176.347 176.870 0.126 0.000 1.059 315 L CA 0.152 55.029 54.840 0.061 0.000 0.816 315 L CB -0.125 41.952 42.059 0.029 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.242 120.339 119.070 0.045 0.000 2.942 316 H HA 0.615 5.171 4.556 0.000 0.000 0.316 316 H C -1.060 174.322 175.328 0.090 0.000 1.323 316 H CA -0.358 55.725 56.048 0.057 0.000 1.144 316 H CB 1.032 30.819 29.762 0.041 0.000 1.866 316 H HN 0.488 nan 8.280 nan 0.000 0.545 317 T N -2.620 112.091 114.554 0.263 0.000 2.927 317 T HA 0.528 4.878 4.350 0.000 0.000 0.281 317 T C 1.478 176.358 174.700 0.300 0.000 0.998 317 T CA -0.226 62.038 62.100 0.274 0.000 1.019 317 T CB 1.460 70.523 68.868 0.325 0.000 1.061 317 T HN 0.774 nan 8.240 nan 0.000 0.518 318 A N 1.192 124.159 122.820 0.246 0.000 1.978 318 A HA -0.140 4.180 4.320 0.000 0.000 0.220 318 A C 2.048 179.729 177.584 0.163 0.000 1.170 318 A CA 1.830 53.980 52.037 0.189 0.000 0.636 318 A CB -1.072 18.024 19.000 0.159 0.000 0.810 318 A HN 0.999 nan 8.150 nan 0.000 0.448 319 D N -1.901 118.580 120.400 0.134 0.000 2.178 319 D HA 0.067 4.707 4.640 0.000 0.000 0.201 319 D C 1.330 177.676 176.300 0.077 0.000 0.980 319 D CA 1.391 55.438 54.000 0.079 0.000 0.842 319 D CB -0.316 40.508 40.800 0.040 0.000 0.948 319 D HN 0.843 nan 8.370 nan 0.000 0.472 320 G N -0.074 108.799 108.800 0.121 0.000 2.227 320 G HA2 -0.195 3.765 3.960 0.000 0.000 0.168 320 G HA3 -0.195 3.765 3.960 0.000 0.000 0.168 320 G C 0.244 175.162 174.900 0.030 0.000 1.006 320 G CA 0.036 45.159 45.100 0.039 0.000 0.684 320 G HN 0.328 nan 8.290 nan 0.000 0.489 321 T N 2.042 116.651 114.554 0.092 0.000 2.769 321 T HA 0.427 4.777 4.350 0.000 0.000 0.293 321 T C 0.589 175.364 174.700 0.125 0.000 0.931 321 T CA -0.005 62.145 62.100 0.083 0.000 1.139 321 T CB 1.093 70.007 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.021 126.294 121.223 0.084 0.000 2.360 322 L HA 0.205 4.545 4.340 0.000 0.000 0.276 322 L C 0.695 177.622 176.870 0.095 0.000 1.121 322 L CA -0.354 54.549 54.840 0.104 0.000 0.845 322 L CB 0.439 42.532 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.490 124.121 120.570 0.102 0.000 2.339 323 I HA 0.028 4.198 4.170 0.000 0.000 0.245 323 I C 0.611 176.742 176.117 0.023 0.000 1.096 323 I CA 0.852 62.185 61.300 0.055 0.000 1.408 323 I CB 0.009 38.032 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.413 119.802 120.200 0.026 0.000 2.409 324 E HA 0.708 5.058 4.350 0.000 0.000 0.280 324 E C -1.627 174.994 176.600 0.034 0.000 1.079 324 E CA -1.116 55.292 56.400 0.013 0.000 0.840 324 E CB 1.368 31.033 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.329 124.197 122.820 0.081 0.000 2.475 325 A HA 0.724 5.044 4.320 0.000 0.000 0.301 325 A C -1.124 176.579 177.584 0.199 0.000 1.059 325 A CA -0.703 51.392 52.037 0.098 0.000 0.710 325 A CB 1.812 20.868 19.000 0.093 0.000 1.288 325 A HN 0.530 nan 8.150 nan 0.000 0.408 326 E N -0.382 119.871 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 0.000 0.000 0.269 326 E C -0.585 176.051 176.600 0.060 0.000 0.924 326 E CA -0.610 55.903 56.400 0.187 0.000 0.784 326 E CB 2.500 32.221 29.700 0.035 0.000 1.292 326 E HN 1.123 nan 8.360 nan 0.000 0.447 327 A N 0.090 123.067 122.820 0.262 0.000 2.588 327 A HA 0.844 5.164 4.320 0.000 0.000 0.290 327 A C -1.129 176.641 177.584 0.311 0.000 1.136 327 A CA -0.380 51.737 52.037 0.134 0.000 0.681 327 A CB 1.098 20.066 19.000 -0.054 0.000 1.282 327 A HN 0.921 nan 8.150 nan 0.000 0.421 328 C N -0.877 118.567 119.300 0.240 0.000 3.292 328 C HA 0.740 5.200 4.460 0.000 0.000 0.338 328 C C -1.668 173.413 174.990 0.151 0.000 1.323 328 C CA -1.011 58.142 59.018 0.225 0.000 1.232 328 C CB 0.943 28.834 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.061 121.526 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 0.000 0.000 0.250 329 D C -0.423 175.915 176.300 0.062 0.000 1.093 329 D CA 0.121 54.185 54.000 0.107 0.000 0.882 329 D CB 2.026 42.888 40.800 0.104 0.000 1.185 329 D HN 0.535 nan 8.370 nan 0.000 0.437 330 V N 1.061 121.038 119.914 0.105 0.000 2.604 330 V HA 0.671 4.791 4.120 0.000 0.000 0.305 330 V C 0.517 176.643 176.094 0.054 0.000 1.043 330 V CA -0.745 61.557 62.300 0.003 0.000 0.888 330 V CB 2.115 33.919 31.823 -0.032 0.000 0.995 330 V HN 0.633 nan 8.190 nan 0.000 0.429 331 G N 2.838 111.569 108.800 -0.115 0.000 2.478 331 G HA2 0.628 4.588 3.960 0.000 0.000 0.317 331 G HA3 0.628 4.588 3.960 0.000 0.000 0.317 331 G C -1.174 173.731 174.900 0.008 0.000 1.259 331 G CA -0.407 44.706 45.100 0.022 0.000 0.933 331 G HN 0.422 nan 8.290 nan 0.000 0.478 332 F N 2.230 122.343 119.950 0.272 0.000 2.404 332 F HA 0.507 5.034 4.527 0.000 0.000 0.359 332 F C 1.007 177.034 175.800 0.378 0.000 1.134 332 F CA -0.231 57.977 58.000 0.348 0.000 1.160 332 F CB 0.946 40.169 39.000 0.373 0.000 1.186 332 F HN 0.478 nan 8.300 nan 0.000 0.526 333 R N 1.221 121.988 120.500 0.445 0.000 2.710 333 R HA 0.551 4.891 4.340 0.000 0.000 0.270 333 R C -1.604 174.819 176.300 0.205 0.000 1.021 333 R CA -1.141 55.079 56.100 0.201 0.000 0.889 333 R CB 1.798 32.235 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.728 121.945 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 0.000 0.000 0.265 334 E C -1.342 175.306 176.600 0.079 0.000 0.882 334 E CA -0.938 55.545 56.400 0.139 0.000 0.759 334 E CB 2.150 31.969 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.589 125.551 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 0.000 0.000 0.287 335 V C -0.146 175.978 176.094 0.049 0.000 1.020 335 V CA -0.545 61.779 62.300 0.040 0.000 0.850 335 V CB 1.219 33.048 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.339 124.866 120.500 0.044 0.000 2.710 336 R HA 0.708 5.048 4.340 0.000 0.000 0.270 336 R C -2.011 174.308 176.300 0.033 0.000 1.021 336 R CA -0.939 55.189 56.100 0.047 0.000 0.889 336 R CB 1.857 32.197 30.300 0.067 0.000 1.243 336 R HN 0.500 nan 8.270 nan 0.000 0.464 337 I N 1.498 122.088 120.570 0.033 0.000 2.339 337 I HA 0.324 4.494 4.170 0.000 0.000 0.290 337 I C -0.642 175.493 176.117 0.029 0.000 0.994 337 I CA -0.380 60.935 61.300 0.025 0.000 1.191 337 I CB 1.734 39.751 38.000 0.027 0.000 1.343 337 I HN 0.716 nan 8.210 nan 0.000 0.458 338 E N 6.509 126.723 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 0.000 0.000 0.272 338 E C -0.311 176.300 176.600 0.018 0.000 0.890 338 E CA -0.566 55.850 56.400 0.026 0.000 0.770 338 E CB 1.037 30.757 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.363 122.074 118.700 0.017 0.000 2.735 339 N HA -0.218 4.522 4.740 0.000 0.000 0.248 339 N C 0.480 175.995 175.510 0.007 0.000 1.083 339 N CA 2.136 55.194 53.050 0.012 0.000 0.703 339 N CB -1.241 37.253 38.487 0.011 0.000 1.005 339 N HN 1.059 nan 8.380 nan 0.000 0.550 340 G N -2.248 106.557 108.800 0.007 0.000 2.176 340 G HA2 -0.276 3.684 3.960 0.000 0.000 0.253 340 G HA3 -0.276 3.684 3.960 0.000 0.000 0.253 340 G C -0.071 174.823 174.900 -0.009 0.000 0.979 340 G CA 0.521 45.621 45.100 0.000 0.000 0.641 340 G HN 0.478 nan 8.290 nan 0.000 0.530 341 L N -0.055 121.164 121.223 -0.007 0.000 2.354 341 L HA 0.750 5.090 4.340 0.000 0.000 0.269 341 L C -0.037 176.822 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.497 54.840 -0.019 0.000 0.819 341 L CB 1.949 43.997 42.059 -0.019 0.000 1.311 341 L HN 0.104 nan 8.230 nan 0.000 0.423 342 L N 3.682 124.883 121.223 -0.036 0.000 2.265 342 L HA 0.505 4.845 4.340 0.000 0.000 0.288 342 L C -0.948 175.898 176.870 -0.039 0.000 1.058 342 L CA 0.336 55.155 54.840 -0.036 0.000 0.809 342 L CB 0.475 42.500 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.663 126.878 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 0.000 0.000 0.271 343 L C -0.908 175.963 176.870 0.002 0.000 1.008 343 L CA -0.859 53.979 54.840 -0.002 0.000 0.818 343 L CB 2.019 44.098 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.975 124.210 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 0.000 0.000 0.275 344 L C -0.276 176.619 176.870 0.041 0.000 0.987 344 L CA -0.091 54.767 54.840 0.030 0.000 0.828 344 L CB 1.032 43.114 42.059 0.037 0.000 1.249 344 L HN 0.613 nan 8.230 nan 0.000 0.409 345 N N 4.085 122.701 118.700 -0.140 0.000 2.721 345 N HA -0.221 4.519 4.740 0.000 0.000 0.249 345 N C 0.879 176.162 175.510 -0.379 0.000 1.072 345 N CA 1.390 54.105 53.050 -0.559 0.000 0.710 345 N CB -1.220 36.817 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.954 106.844 108.800 -0.004 0.000 2.217 346 G HA2 -0.334 3.626 3.960 0.000 0.000 0.246 346 G HA3 -0.334 3.626 3.960 0.000 0.000 0.246 346 G C -0.092 174.856 174.900 0.080 0.000 0.990 346 G CA 0.783 45.962 45.100 0.132 0.000 0.627 346 G HN 0.464 nan 8.290 nan 0.000 0.522 347 K N 1.002 121.439 120.400 0.061 0.000 2.203 347 K HA 0.549 4.869 4.320 0.000 0.000 0.251 347 K C -3.033 173.553 176.600 -0.024 0.000 0.944 347 K CA -2.090 54.192 56.287 -0.009 0.000 0.829 347 K CB 2.683 35.109 32.500 -0.124 0.000 1.125 347 K HN 0.032 nan 8.250 nan 0.000 0.430 348 P HA 0.224 nan 4.420 nan 0.000 0.282 348 P C -0.178 177.068 177.300 -0.089 0.000 1.262 348 P CA -0.212 62.851 63.100 -0.062 0.000 0.773 348 P CB 0.517 32.181 31.700 -0.060 0.000 0.879 349 L N 3.196 124.359 121.223 -0.100 0.000 2.468 349 L HA 0.387 4.727 4.340 0.000 0.000 0.254 349 L C 0.510 177.305 176.870 -0.126 0.000 1.171 349 L CA -0.678 54.091 54.840 -0.117 0.000 0.809 349 L CB 0.327 42.278 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.486 123.648 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 0.000 0.000 0.263 350 L C -0.693 176.128 176.870 -0.082 0.000 0.985 350 L CA -0.134 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.994 43.011 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.680 125.136 120.570 -0.189 0.000 2.379 351 I HA 0.236 4.406 4.170 0.000 0.000 0.290 351 I C 0.434 176.495 176.117 -0.093 0.000 1.063 351 I CA -0.028 61.169 61.300 -0.171 0.000 1.351 351 I CB 0.640 38.420 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.745 125.266 120.500 0.035 0.000 3.070 352 R HA 0.451 4.791 4.340 0.000 0.000 0.252 352 R C 0.501 176.886 176.300 0.141 0.000 1.370 352 R CA -0.239 55.911 56.100 0.084 0.000 1.482 352 R CB 0.853 31.051 30.300 -0.171 0.000 1.220 352 R HN 0.782 nan 8.270 nan 0.000 0.622 353 G N 0.059 108.900 108.800 0.069 0.000 2.537 353 G HA2 0.608 4.568 3.960 0.000 0.000 0.323 353 G HA3 0.608 4.568 3.960 0.000 0.000 0.323 353 G C -1.341 173.847 174.900 0.480 0.000 1.207 353 G CA -0.499 44.663 45.100 0.104 0.000 0.976 353 G HN 0.241 nan 8.290 nan 0.000 0.487 354 V N 0.031 120.224 119.914 0.465 0.000 2.971 354 V HA 0.481 4.601 4.120 0.000 0.000 0.309 354 V C -1.143 175.090 176.094 0.232 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.210 33.917 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.376 123.143 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 0.000 0.000 0.281 355 N C -0.794 174.530 175.510 -0.311 0.000 1.098 355 N CA -0.361 52.632 53.050 -0.096 0.000 0.979 355 N CB 1.659 40.100 38.487 -0.077 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.027 122.312 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 0.000 0.000 0.296 356 R C -0.990 175.082 176.300 -0.380 0.000 1.012 356 R CA -0.550 55.350 56.100 -0.333 0.000 0.897 356 R CB 0.961 31.067 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.050 120.972 119.070 -0.246 0.000 2.508 357 H HA 0.142 4.698 4.556 0.000 0.000 0.358 357 H C -0.507 174.810 175.328 -0.019 0.000 1.212 357 H CA -0.085 55.903 56.048 -0.101 0.000 1.356 357 H CB 1.518 31.273 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.595 121.983 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 0.000 0.000 0.275 358 E C -0.775 175.962 176.600 0.229 0.000 1.113 358 E CA 0.010 56.512 56.400 0.170 0.000 0.878 358 E CB 0.164 29.968 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.517 120.630 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 0.000 0.000 0.362 359 H C -1.624 173.735 175.328 0.053 0.000 1.114 359 H CA -0.683 55.403 56.048 0.063 0.000 1.208 359 H CB 1.088 30.876 29.762 0.043 0.000 1.727 359 H HN 0.366 nan 8.280 nan 0.000 0.534 360 H N 6.272 124.990 119.070 -0.586 0.000 2.744 360 H HA 0.195 4.751 4.556 0.000 0.000 0.339 360 H C -2.194 172.729 175.328 -0.676 0.000 1.004 360 H CA -2.395 53.386 56.048 -0.446 0.000 1.257 360 H CB 2.502 32.135 29.762 -0.214 0.000 1.552 360 H HN 0.561 nan 8.280 nan 0.000 0.522 361 P HA -0.134 nan 4.420 nan 0.000 0.217 361 P C 1.374 178.562 177.300 -0.187 0.000 1.148 361 P CA 0.924 63.861 63.100 -0.272 0.000 0.828 361 P CB 0.827 32.408 31.700 -0.198 0.000 0.783 362 L N -1.874 119.333 121.223 -0.027 0.000 2.269 362 L HA 0.047 4.387 4.340 0.000 0.000 0.200 362 L C 2.386 179.111 176.870 -0.242 0.000 1.069 362 L CA 0.902 55.644 54.840 -0.163 0.000 0.804 362 L CB -0.692 41.163 42.059 -0.341 0.000 0.987 362 L HN 0.010 nan 8.230 nan 0.000 0.468 363 H N -0.699 118.312 119.070 -0.098 0.000 2.539 363 H HA 0.208 4.764 4.556 0.000 0.000 0.267 363 H C 1.390 176.597 175.328 -0.201 0.000 0.982 363 H CA 0.135 56.042 56.048 -0.234 0.000 1.146 363 H CB 0.318 29.840 29.762 -0.398 0.000 1.382 363 H HN 0.446 nan 8.280 nan 0.000 0.577 364 G N 1.488 110.193 108.800 -0.157 0.000 2.543 364 G HA2 -0.392 3.568 3.960 0.000 0.000 0.286 364 G HA3 -0.392 3.568 3.960 0.000 0.000 0.286 364 G C 0.600 175.403 174.900 -0.162 0.000 1.153 364 G CA 0.305 45.259 45.100 -0.244 0.000 0.968 364 G HN 0.462 nan 8.290 nan 0.000 0.544 365 Q N 0.049 119.776 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 0.000 0.000 0.202 365 Q C 0.455 176.504 176.000 0.082 0.000 0.903 365 Q CA -0.057 55.709 55.803 -0.061 0.000 0.948 365 Q CB 0.867 29.461 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.853 121.813 119.914 0.076 0.000 2.498 366 V HA 0.188 4.308 4.120 0.000 0.000 0.279 366 V C 0.161 176.298 176.094 0.072 0.000 1.048 366 V CA -0.024 62.340 62.300 0.107 0.000 0.967 366 V CB 1.021 32.851 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.362 123.997 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 0.000 0.000 0.317 367 M C -0.600 175.635 176.300 -0.110 0.000 1.201 367 M CA -0.743 54.546 55.300 -0.019 0.000 0.971 367 M CB 1.685 34.237 32.600 -0.080 0.000 1.657 367 M HN 0.967 nan 8.290 nan 0.000 0.470 368 D N -1.893 118.458 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 0.000 0.000 0.236 368 D C 0.286 176.573 176.300 -0.020 0.000 1.209 368 D CA -0.649 53.309 54.000 -0.071 0.000 0.831 368 D CB 1.233 42.023 40.800 -0.016 0.000 1.478 368 D HN 0.687 nan 8.370 nan 0.000 0.438 369 E N -0.011 120.191 120.200 0.003 0.000 2.086 369 E HA -0.369 3.981 4.350 0.000 0.000 0.200 369 E C 1.545 178.200 176.600 0.091 0.000 1.012 369 E CA 1.571 58.008 56.400 0.061 0.000 0.812 369 E CB 0.082 29.831 29.700 0.082 0.000 0.743 369 E HN 0.567 nan 8.360 nan 0.000 0.453 370 Q N -0.353 119.499 119.800 0.087 0.000 2.061 370 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 370 Q C 2.221 178.289 176.000 0.113 0.000 0.984 370 Q CA 2.289 58.151 55.803 0.099 0.000 0.846 370 Q CB -0.180 28.617 28.738 0.097 0.000 0.902 370 Q HN 0.369 nan 8.270 nan 0.000 0.421 371 T N 1.138 115.770 114.554 0.131 0.000 2.622 371 T HA -0.182 4.168 4.350 0.000 0.000 0.266 371 T C 1.956 176.745 174.700 0.147 0.000 1.047 371 T CA 1.686 63.874 62.100 0.148 0.000 1.159 371 T CB -0.258 68.721 68.868 0.186 0.000 0.863 371 T HN 0.293 nan 8.240 nan 0.000 0.422 372 M N 0.627 120.320 119.600 0.155 0.000 2.089 372 M HA -0.154 4.326 4.480 0.000 0.000 0.257 372 M C 2.438 178.869 176.300 0.218 0.000 1.071 372 M CA 1.542 57.006 55.300 0.274 0.000 1.096 372 M CB -0.759 32.029 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.250 119.734 119.914 0.116 0.000 2.515 373 V HA -0.264 3.856 4.120 0.000 0.000 0.250 373 V C 2.261 178.346 176.094 -0.016 0.000 1.058 373 V CA 1.791 64.090 62.300 -0.001 0.000 1.064 373 V CB -0.815 31.030 31.823 0.037 0.000 0.675 373 V HN 0.541 nan 8.190 nan 0.000 0.461 374 Q N -0.223 119.618 119.800 0.068 0.000 2.050 374 Q HA -0.254 4.085 4.340 0.000 0.000 0.202 374 Q C 2.030 178.110 176.000 0.133 0.000 0.980 374 Q CA 2.009 57.868 55.803 0.093 0.000 0.840 374 Q CB -0.087 28.722 28.738 0.119 0.000 0.898 374 Q HN 0.608 nan 8.270 nan 0.000 0.424 375 D N 0.373 120.876 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 0.000 0.000 0.193 375 D C 1.866 178.144 176.300 -0.037 0.000 0.994 375 D CA 1.176 55.291 54.000 0.191 0.000 0.828 375 D CB -0.272 40.631 40.800 0.173 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.663 121.188 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 0.000 0.000 0.245 376 I C 2.385 178.378 176.117 -0.208 0.000 1.097 376 I CA 0.682 61.835 61.300 -0.244 0.000 1.363 376 I CB -0.143 37.602 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.008 121.136 121.223 -0.131 0.000 2.027 377 L HA -0.216 4.124 4.340 0.000 0.000 0.206 377 L C 2.593 179.536 176.870 0.121 0.000 1.074 377 L CA 1.512 56.355 54.840 0.006 0.000 0.745 377 L CB -0.739 41.341 42.059 0.035 0.000 0.898 377 L HN 0.317 nan 8.230 nan 0.000 0.433 378 L N -0.755 120.566 121.223 0.164 0.000 2.012 378 L HA -0.269 4.071 4.340 0.000 0.000 0.210 378 L C 2.787 179.839 176.870 0.303 0.000 1.073 378 L CA 1.452 56.474 54.840 0.303 0.000 0.748 378 L CB -0.313 42.053 42.059 0.512 0.000 0.891 378 L HN 0.309 nan 8.230 nan 0.000 0.431 379 M N -0.640 118.980 119.600 0.033 0.000 2.065 379 M HA -0.260 4.220 4.480 0.000 0.000 0.259 379 M C 2.338 178.712 176.300 0.123 0.000 1.071 379 M CA 1.870 57.109 55.300 -0.102 0.000 1.109 379 M CB -0.426 31.893 32.600 -0.468 0.000 1.313 379 M HN 0.104 nan 8.290 nan 0.000 0.408 380 K N 0.108 120.485 120.400 -0.038 0.000 2.103 380 K HA -0.205 4.115 4.320 0.000 0.000 0.207 380 K C 1.892 178.481 176.600 -0.017 0.000 1.048 380 K CA 1.466 57.632 56.287 -0.202 0.000 0.930 380 K CB -0.289 31.901 32.500 -0.516 0.000 0.716 380 K HN 0.516 nan 8.250 nan 0.000 0.444 381 Q N 0.173 120.130 119.800 0.262 0.000 2.369 381 Q HA -0.018 4.322 4.340 0.000 0.000 0.206 381 Q C 0.863 177.156 176.000 0.489 0.000 0.963 381 Q CA 0.575 56.651 55.803 0.456 0.000 0.894 381 Q CB 0.167 29.154 28.738 0.414 0.000 0.965 381 Q HN 0.246 nan 8.270 nan 0.000 0.475 382 N N 0.668 119.613 118.700 0.409 0.000 2.279 382 N HA 0.051 4.791 4.740 0.000 0.000 0.226 382 N C -0.597 175.031 175.510 0.196 0.000 1.126 382 N CA 0.062 53.346 53.050 0.390 0.000 0.846 382 N CB 0.657 39.451 38.487 0.512 0.000 1.050 382 N HN 0.162 nan 8.380 nan 0.000 0.502 383 N N 0.004 118.810 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 0.000 0.000 0.250 383 N C -0.847 174.561 175.510 -0.170 0.000 1.090 383 N CA 0.716 53.782 53.050 0.026 0.000 0.781 383 N CB -1.734 36.666 38.487 -0.144 0.000 1.124 383 N HN 0.229 nan 8.380 nan 0.000 0.559 384 F N 1.184 121.133 119.950 -0.002 0.000 2.375 384 F HA 0.323 4.850 4.527 0.000 0.000 0.333 384 F C 1.789 177.572 175.800 -0.028 0.000 1.104 384 F CA -0.503 57.482 58.000 -0.025 0.000 1.149 384 F CB 0.812 39.777 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.619 119.434 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 0.000 0.000 0.226 385 N C -0.859 174.715 175.510 0.107 0.000 1.256 385 N CA 0.016 53.121 53.050 0.091 0.000 0.890 385 N CB 0.727 39.317 38.487 0.172 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.543 122.398 122.820 0.202 0.000 2.612 386 A HA 0.765 5.085 4.320 0.000 0.000 0.293 386 A C -1.748 176.043 177.584 0.346 0.000 1.075 386 A CA -0.635 51.578 52.037 0.294 0.000 0.680 386 A CB 1.732 20.947 19.000 0.358 0.000 1.279 386 A HN 0.287 nan 8.150 nan 0.000 0.411 387 V N 0.784 120.947 119.914 0.415 0.000 2.971 387 V HA 0.834 4.954 4.120 0.000 0.000 0.309 387 V C -0.881 175.355 176.094 0.238 0.000 1.130 387 V CA -0.723 61.782 62.300 0.342 0.000 0.964 387 V CB 2.002 33.934 31.823 0.181 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.474 124.972 120.500 -0.003 0.000 2.387 388 R HA 0.493 4.833 4.340 0.000 0.000 0.314 388 R C -0.804 175.367 176.300 -0.214 0.000 0.958 388 R CA -0.496 55.440 56.100 -0.275 0.000 0.846 388 R CB 1.277 31.156 30.300 -0.701 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.223 123.423 119.300 -0.167 0.000 3.329 389 C HA 0.099 4.559 4.460 0.000 0.000 0.537 389 C C 0.538 175.255 174.990 -0.455 0.000 1.034 389 C CA -0.423 58.442 59.018 -0.255 0.000 1.086 389 C CB -2.192 25.507 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.377 116.701 115.700 -0.626 0.000 2.481 390 S HA 0.155 4.625 4.470 0.000 0.000 0.282 390 S C -0.113 173.624 174.600 -1.438 0.000 1.243 390 S CA 0.168 57.744 58.200 -1.039 0.000 1.078 390 S CB 0.078 62.608 63.200 -1.117 0.000 0.916 390 S HN 0.727 nan 8.310 nan 0.000 0.495 391 H N 3.536 121.990 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 0.000 0.000 0.225 391 H C -1.150 174.008 175.328 -0.284 0.000 1.422 391 H CA -0.379 55.427 56.048 -0.404 0.000 1.335 391 H CB -0.135 29.598 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.752 117.646 120.300 0.163 0.000 2.765 392 Y HA 0.391 4.941 4.550 0.000 0.000 0.350 392 Y C -3.302 172.700 175.900 0.170 0.000 1.196 392 Y CA -2.978 55.227 58.100 0.174 0.000 1.119 392 Y CB -0.024 38.542 38.460 0.176 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.175 nan 4.420 nan 0.000 0.269 393 P C -0.668 176.923 177.300 0.484 0.000 1.209 393 P CA 0.134 63.487 63.100 0.422 0.000 0.776 393 P CB 0.628 32.511 31.700 0.305 0.000 0.876 394 N N 0.164 119.155 118.700 0.485 0.000 2.491 394 N HA 0.115 4.855 4.740 0.000 0.000 0.279 394 N C -0.042 175.695 175.510 0.378 0.000 1.236 394 N CA -0.636 52.608 53.050 0.323 0.000 0.982 394 N CB 0.410 38.864 38.487 -0.055 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.792 120.964 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 0.000 0.000 0.324 395 H C -1.733 173.778 175.328 0.304 0.000 1.015 395 H CA -0.793 55.362 56.048 0.178 0.000 1.429 395 H CB 1.043 30.870 29.762 0.107 0.000 1.429 395 H HN 0.396 nan 8.280 nan 0.000 0.585 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.770 179.365 177.300 0.492 0.000 1.151 396 P CA 0.878 64.187 63.100 0.348 0.000 0.849 396 P CB 0.155 31.892 31.700 0.061 0.000 0.787 397 L N -1.503 120.082 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 0.000 0.000 0.212 397 L C 2.257 179.340 176.870 0.354 0.000 1.105 397 L CA 1.346 56.464 54.840 0.463 0.000 0.775 397 L CB -1.282 41.059 42.059 0.470 0.000 0.913 397 L HN 0.052 nan 8.230 nan 0.000 0.440 398 W N -0.284 121.085 121.300 0.116 0.000 2.318 398 W HA -0.360 4.300 4.660 0.000 0.000 0.313 398 W C 2.104 178.503 176.519 -0.199 0.000 1.221 398 W CA 2.080 59.347 57.345 -0.130 0.000 1.266 398 W CB -0.424 28.825 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.583 120.833 120.300 -0.083 0.000 2.224 399 Y HA -0.231 4.319 4.550 0.000 0.000 0.289 399 Y C 2.854 178.523 175.900 -0.384 0.000 1.146 399 Y CA 2.107 59.934 58.100 -0.455 0.000 1.182 399 Y CB -1.334 36.579 38.460 -0.911 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.492 115.063 114.554 0.028 0.000 2.777 400 T HA -0.108 4.242 4.350 0.000 0.000 0.266 400 T C 2.011 176.747 174.700 0.060 0.000 1.040 400 T CA 1.112 63.296 62.100 0.139 0.000 1.141 400 T CB -0.471 68.537 68.868 0.233 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.444 121.670 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 0.000 0.000 0.208 401 L C 2.864 179.726 176.870 -0.014 0.000 1.077 401 L CA 1.060 55.928 54.840 0.046 0.000 0.747 401 L CB -0.753 41.286 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.229 118.891 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 0.000 0.000 0.277 402 C C 2.397 177.422 174.990 0.059 0.000 1.280 402 C CA 0.380 59.259 59.018 -0.232 0.000 1.744 402 C CB -0.844 26.649 27.740 -0.411 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.447 120.884 120.400 0.060 0.000 2.144 403 D HA -0.101 4.539 4.640 0.000 0.000 0.199 403 D C 2.379 178.865 176.300 0.310 0.000 0.984 403 D CA 1.184 55.290 54.000 0.176 0.000 0.834 403 D CB -0.334 40.524 40.800 0.097 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -0.964 119.614 120.500 0.130 0.000 2.080 404 R HA 0.011 4.351 4.340 0.000 0.000 0.222 404 R C 2.174 178.398 176.300 -0.127 0.000 1.107 404 R CA 0.555 56.653 56.100 -0.005 0.000 0.980 404 R CB -0.174 30.037 30.300 -0.148 0.000 0.879 404 R HN 0.266 nan 8.270 nan 0.000 0.439 405 Y N -0.155 120.158 120.300 0.021 0.000 2.395 405 Y HA 0.127 4.677 4.550 0.000 0.000 0.293 405 Y C 1.028 176.859 175.900 -0.114 0.000 1.123 405 Y CA 0.868 58.952 58.100 -0.028 0.000 1.227 405 Y CB 0.597 39.010 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.137 109.959 108.800 0.037 0.000 2.980 406 G HA2 -0.157 3.803 3.960 0.000 0.000 0.255 406 G HA3 -0.157 3.803 3.960 0.000 0.000 0.255 406 G C -1.098 173.631 174.900 -0.284 0.000 1.020 406 G CA -0.551 44.424 45.100 -0.208 0.000 1.230 406 G HN 0.158 nan 8.290 nan 0.000 0.580 407 L N 0.750 121.879 121.223 -0.157 0.000 2.431 407 L HA 0.528 4.868 4.340 0.000 0.000 0.266 407 L C 0.021 176.852 176.870 -0.066 0.000 0.978 407 L CA -1.334 53.377 54.840 -0.216 0.000 0.822 407 L CB 2.001 43.961 42.059 -0.166 0.000 1.310 407 L HN 0.414 nan 8.230 nan 0.000 0.409 408 Y N 1.793 122.199 120.300 0.177 0.000 2.319 408 Y HA 0.421 4.971 4.550 0.000 0.000 0.328 408 Y C 0.206 176.217 175.900 0.185 0.000 1.133 408 Y CA -0.646 57.590 58.100 0.227 0.000 1.265 408 Y CB 1.375 39.953 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.756 123.850 119.914 0.300 0.000 2.735 409 V HA 0.384 4.504 4.120 0.000 0.000 0.310 409 V C -0.702 175.477 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.066 33.980 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.595 122.569 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 0.000 0.000 0.280 410 V C -0.446 175.690 176.094 0.071 0.000 1.021 410 V CA -0.398 61.915 62.300 0.023 0.000 0.847 410 V CB 1.554 33.310 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.989 124.461 120.400 0.119 0.000 2.249 411 D HA 0.333 4.973 4.640 0.000 0.000 0.246 411 D C -0.274 176.204 176.300 0.296 0.000 1.114 411 D CA -0.050 54.111 54.000 0.268 0.000 0.854 411 D CB 1.333 42.336 40.800 0.339 0.000 1.132 411 D HN 0.695 nan 8.370 nan 0.000 0.461 412 E N 1.846 122.191 120.200 0.241 0.000 2.210 412 E HA 0.609 4.959 4.350 0.000 0.000 0.266 412 E C -1.017 175.714 176.600 0.219 0.000 0.883 412 E CA -1.061 55.466 56.400 0.212 0.000 0.761 412 E CB 1.356 31.132 29.700 0.127 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.808 126.751 122.820 0.206 0.000 2.483 413 A HA 0.021 4.341 4.320 0.000 0.000 0.238 413 A C 0.394 178.097 177.584 0.199 0.000 1.070 413 A CA -0.151 51.989 52.037 0.172 0.000 0.770 413 A CB 0.113 19.182 19.000 0.115 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.316 120.142 118.700 0.209 0.000 3.103 414 N HA 0.226 4.966 4.740 0.000 0.000 0.305 414 N C -0.949 174.683 175.510 0.204 0.000 1.232 414 N CA 0.228 53.432 53.050 0.258 0.000 1.190 414 N CB -0.868 37.778 38.487 0.265 0.000 1.461 414 N HN 0.477 nan 8.380 nan 0.000 0.538 415 I N 0.662 121.343 120.570 0.186 0.000 2.500 415 I HA 0.280 4.450 4.170 0.000 0.000 0.286 415 I C -0.598 175.608 176.117 0.148 0.000 1.063 415 I CA -0.680 60.711 61.300 0.151 0.000 1.062 415 I CB 1.929 39.992 38.000 0.106 0.000 1.223 415 I HN 0.212 nan 8.210 nan 0.000 0.435 416 E N 4.271 124.555 120.200 0.140 0.000 2.294 416 E HA 0.300 4.650 4.350 0.000 0.000 0.272 416 E C -0.490 176.169 176.600 0.098 0.000 0.896 416 E CA -0.435 56.023 56.400 0.097 0.000 0.802 416 E CB 1.597 31.340 29.700 0.072 0.000 1.267 416 E HN 0.654 nan 8.360 nan 0.000 0.406 417 T N 0.757 115.361 114.554 0.083 0.000 3.293 417 T HA 0.142 4.492 4.350 0.000 0.000 0.276 417 T C 1.017 175.768 174.700 0.085 0.000 1.003 417 T CA -0.220 61.951 62.100 0.118 0.000 0.916 417 T CB -0.293 68.618 68.868 0.071 0.000 1.134 417 T HN 0.671 nan 8.240 nan 0.000 0.530 418 H N 1.259 120.250 119.070 -0.132 0.000 2.325 418 H HA -0.149 4.407 4.556 0.000 0.000 0.293 418 H C 2.291 177.487 175.328 -0.220 0.000 1.106 418 H CA 1.449 57.380 56.048 -0.194 0.000 1.247 418 H CB -0.283 29.333 29.762 -0.244 0.000 1.359 418 H HN 0.584 nan 8.280 nan 0.000 0.488 419 G N 0.242 108.879 108.800 -0.272 0.000 2.776 419 G HA2 -0.051 3.909 3.960 0.000 0.000 0.209 419 G HA3 -0.051 3.909 3.960 0.000 0.000 0.209 419 G C 0.561 175.555 174.900 0.156 0.000 1.145 419 G CA -0.086 44.889 45.100 -0.209 0.000 0.791 419 G HN 0.151 nan 8.290 nan 0.000 0.530 420 M N 0.022 119.753 119.600 0.218 0.000 2.113 420 M HA 0.346 4.826 4.480 0.000 0.000 0.288 420 M C -0.289 176.040 176.300 0.048 0.000 1.225 420 M CA -0.138 55.247 55.300 0.142 0.000 1.148 420 M CB 1.173 33.810 32.600 0.061 0.000 1.388 420 M HN -0.188 nan 8.290 nan 0.000 0.469 421 V N 2.202 122.123 119.914 0.012 0.000 2.567 421 V HA 0.326 4.446 4.120 0.000 0.000 0.298 421 V C -2.141 173.940 176.094 -0.022 0.000 1.047 421 V CA -1.322 60.972 62.300 -0.009 0.000 0.880 421 V CB 1.932 33.746 31.823 -0.015 0.000 1.009 421 V HN 0.730 nan 8.190 nan 0.000 0.429 422 P HA 0.274 nan 4.420 nan 0.000 0.274 422 P C 1.099 178.394 177.300 -0.009 0.000 1.256 422 P CA -0.551 62.539 63.100 -0.016 0.000 0.795 422 P CB 0.752 32.444 31.700 -0.013 0.000 1.038 423 M N 0.810 120.411 119.600 0.001 0.000 2.260 423 M HA -0.205 4.275 4.480 0.000 0.000 0.261 423 M C 0.964 177.275 176.300 0.018 0.000 1.066 423 M CA 1.925 57.235 55.300 0.016 0.000 1.082 423 M CB -0.380 32.223 32.600 0.004 0.000 1.388 423 M HN 0.386 nan 8.290 nan 0.000 0.419 424 N N -0.264 118.443 118.700 0.012 0.000 2.251 424 N HA -0.047 4.693 4.740 0.000 0.000 0.217 424 N C 1.081 176.553 175.510 -0.063 0.000 1.124 424 N CA 0.056 53.108 53.050 0.003 0.000 0.843 424 N CB -0.639 37.868 38.487 0.034 0.000 1.024 424 N HN 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.537 120.989 120.500 -0.079 0.000 2.103 425 R HA -0.027 4.313 4.340 0.000 0.000 0.242 425 R C 1.422 177.600 176.300 -0.203 0.000 1.142 425 R CA 1.556 57.585 56.100 -0.119 0.000 0.960 425 R CB -0.082 30.148 30.300 -0.116 0.000 0.858 425 R HN 0.304 nan 8.270 nan 0.000 0.439 426 L N -0.732 120.305 121.223 -0.310 0.000 2.202 426 L HA 0.025 4.365 4.340 0.000 0.000 0.205 426 L C 2.446 179.133 176.870 -0.305 0.000 1.083 426 L CA 1.186 55.708 54.840 -0.529 0.000 0.790 426 L CB -0.614 40.860 42.059 -0.974 0.000 0.942 426 L HN 0.363 nan 8.230 nan 0.000 0.452 427 T N -3.910 110.505 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 0.000 0.000 0.271 427 T C 1.220 175.800 174.700 -0.200 0.000 1.105 427 T CA 1.346 63.294 62.100 -0.254 0.000 1.116 427 T CB -0.295 68.378 68.868 -0.325 0.000 0.878 427 T HN 0.111 nan 8.240 nan 0.000 0.509 428 D N 1.209 121.531 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 0.000 0.000 0.221 428 D C -0.467 175.801 176.300 -0.054 0.000 1.101 428 D CA -0.247 53.695 54.000 -0.096 0.000 0.837 428 D CB -0.025 40.729 40.800 -0.076 0.000 0.938 428 D HN 0.341 nan 8.370 nan 0.000 0.508 429 D N -0.514 119.870 120.400 -0.026 0.000 2.408 429 D HA 0.178 4.818 4.640 0.000 0.000 0.243 429 D C -1.799 174.555 176.300 0.090 0.000 1.075 429 D CA -2.280 51.749 54.000 0.048 0.000 0.832 429 D CB 2.310 43.176 40.800 0.110 0.000 1.162 429 D HN -0.128 nan 8.370 nan 0.000 0.515 430 P HA -0.120 nan 4.420 nan 0.000 0.217 430 P C 1.083 178.387 177.300 0.007 0.000 1.148 430 P CA 1.013 64.121 63.100 0.013 0.000 0.828 430 P CB 0.339 32.036 31.700 -0.005 0.000 0.783 431 R N -1.921 118.590 120.500 0.019 0.000 2.152 431 R HA -0.108 4.232 4.340 0.000 0.000 0.232 431 R C 1.658 177.836 176.300 -0.204 0.000 1.117 431 R CA 1.259 57.301 56.100 -0.097 0.000 0.981 431 R CB -0.636 29.583 30.300 -0.136 0.000 0.870 431 R HN 0.317 nan 8.270 nan 0.000 0.451 432 W N -0.608 120.633 121.300 -0.099 0.000 3.278 432 W HA 0.161 4.821 4.660 0.000 0.000 0.308 432 W C 1.353 177.809 176.519 -0.105 0.000 1.253 432 W CA -0.524 56.761 57.345 -0.100 0.000 1.759 432 W CB 0.037 29.433 29.460 -0.106 0.000 1.093 432 W HN 0.038 nan 8.180 nan 0.000 0.648 433 L N 2.323 123.586 121.223 0.066 0.000 2.012 433 L HA -0.083 4.257 4.340 0.000 0.000 0.210 433 L C -0.667 176.174 176.870 -0.049 0.000 1.073 433 L CA 2.312 57.147 54.840 -0.008 0.000 0.748 433 L CB -1.689 40.352 42.059 -0.031 0.000 0.891 433 L HN -0.230 nan 8.230 nan 0.000 0.431 434 P HA -0.133 nan 4.420 nan 0.000 0.216 434 P C 1.612 178.860 177.300 -0.086 0.000 1.153 434 P CA 2.113 65.155 63.100 -0.096 0.000 0.848 434 P CB -0.250 31.384 31.700 -0.110 0.000 0.787 435 A N -0.693 122.090 122.820 -0.061 0.000 1.877 435 A HA -0.196 4.124 4.320 0.000 0.000 0.216 435 A C 2.257 179.853 177.584 0.018 0.000 1.186 435 A CA 1.958 53.989 52.037 -0.009 0.000 0.620 435 A CB -1.493 17.536 19.000 0.048 0.000 0.822 435 A HN 0.088 nan 8.150 nan 0.000 0.443 436 M N -0.220 119.399 119.600 0.032 0.000 2.159 436 M HA -0.144 4.336 4.480 0.000 0.000 0.263 436 M C 2.579 178.829 176.300 -0.085 0.000 1.063 436 M CA 1.716 57.010 55.300 -0.010 0.000 1.110 436 M CB -0.469 32.104 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.695 116.319 115.700 -0.127 0.000 2.365 437 S HA -0.199 4.271 4.470 0.000 0.000 0.225 437 S C 1.683 176.120 174.600 -0.271 0.000 1.039 437 S CA 1.546 59.609 58.200 -0.228 0.000 1.033 437 S CB -0.360 62.700 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.733 120.821 120.200 -0.186 0.000 2.110 438 E HA -0.112 4.238 4.350 0.000 0.000 0.193 438 E C 2.417 178.933 176.600 -0.141 0.000 0.988 438 E CA 0.916 57.214 56.400 -0.170 0.000 0.804 438 E CB -0.216 29.418 29.700 -0.110 0.000 0.745 438 E HN 0.590 nan 8.360 nan 0.000 0.458 439 R N 0.262 120.708 120.500 -0.091 0.000 2.120 439 R HA -0.086 4.254 4.340 0.000 0.000 0.234 439 R C 2.340 178.596 176.300 -0.073 0.000 1.123 439 R CA 0.820 56.894 56.100 -0.043 0.000 0.975 439 R CB -0.030 30.280 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.006 119.832 119.914 -0.147 0.000 2.374 440 V HA -0.168 3.952 4.120 0.000 0.000 0.241 440 V C 2.410 178.340 176.094 -0.274 0.000 1.034 440 V CA 2.001 64.198 62.300 -0.172 0.000 1.037 440 V CB -0.303 31.414 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.381 113.885 114.554 -0.480 0.000 2.684 441 T HA -0.293 4.057 4.350 0.000 0.000 0.267 441 T C 1.949 176.497 174.700 -0.253 0.000 1.036 441 T CA 1.689 63.432 62.100 -0.596 0.000 1.148 441 T CB -0.472 67.901 68.868 -0.825 0.000 0.863 441 T HN 0.394 nan 8.240 nan 0.000 0.436 442 R N 0.347 120.720 120.500 -0.212 0.000 2.096 442 R HA 0.119 4.459 4.340 0.000 0.000 0.235 442 R C 2.696 178.920 176.300 -0.127 0.000 1.127 442 R CA 1.551 57.563 56.100 -0.147 0.000 0.968 442 R CB -0.501 29.723 30.300 -0.128 0.000 0.861 442 R HN 0.487 nan 8.270 nan 0.000 0.440 443 M N 0.652 120.184 119.600 -0.114 0.000 2.086 443 M HA -0.160 4.320 4.480 0.000 0.000 0.261 443 M C 1.949 178.168 176.300 -0.136 0.000 1.067 443 M CA 1.662 56.918 55.300 -0.073 0.000 1.116 443 M CB 0.051 32.642 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.855 120.592 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 0.000 0.000 0.247 444 V C 2.283 178.261 176.094 -0.194 0.000 1.051 444 V CA 2.059 64.069 62.300 -0.483 0.000 1.036 444 V CB -0.923 30.588 31.823 -0.520 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.713 119.010 119.800 -0.128 0.000 2.181 445 Q HA -0.240 4.100 4.340 0.000 0.000 0.205 445 Q C 2.492 178.406 176.000 -0.143 0.000 0.980 445 Q CA 1.712 57.451 55.803 -0.107 0.000 0.862 445 Q CB -0.172 28.523 28.738 -0.071 0.000 0.905 445 Q HN 0.535 nan 8.270 nan 0.000 0.429 446 R N 0.156 120.565 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 0.000 0.000 0.220 446 R C 0.559 176.778 176.300 -0.135 0.000 1.091 446 R CA 1.247 57.234 56.100 -0.189 0.000 0.986 446 R CB 0.415 30.607 30.300 -0.179 0.000 0.888 446 R HN 0.138 nan 8.270 nan 0.000 0.444 447 D N -0.146 120.233 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 0.000 0.000 0.211 447 D C 1.196 177.584 176.300 0.147 0.000 1.077 447 D CA 0.184 54.208 54.000 0.040 0.000 0.842 447 D CB 0.366 41.146 40.800 -0.033 0.000 0.947 447 D HN 0.317 nan 8.370 nan 0.000 0.509 448 R N 0.417 121.011 120.500 0.155 0.000 2.357 448 R HA 0.081 4.421 4.340 0.000 0.000 0.202 448 R C 0.873 177.149 176.300 -0.039 0.000 1.047 448 R CA 0.850 57.053 56.100 0.171 0.000 1.034 448 R CB -0.279 30.117 30.300 0.161 0.000 0.875 448 R HN -0.112 nan 8.270 nan 0.000 0.473 449 N N 0.078 118.676 118.700 -0.169 0.000 2.280 449 N HA -0.009 4.731 4.740 0.000 0.000 0.192 449 N C -0.527 174.827 175.510 -0.260 0.000 1.109 449 N CA 0.130 53.037 53.050 -0.239 0.000 0.855 449 N CB 0.145 38.434 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.721 120.700 119.070 -0.151 0.000 2.819 450 H HA 0.090 4.646 4.556 0.000 0.000 0.303 450 H C -1.159 173.999 175.328 -0.283 0.000 1.058 450 H CA -1.117 54.825 56.048 -0.177 0.000 1.471 450 H CB 1.457 31.144 29.762 -0.125 0.000 1.480 450 H HN 0.066 nan 8.280 nan 0.000 0.517 451 P HA -0.152 nan 4.420 nan 0.000 0.218 451 P C 1.353 178.200 177.300 -0.755 0.000 1.149 451 P CA 1.160 63.903 63.100 -0.595 0.000 0.817 451 P CB 0.267 31.392 31.700 -0.958 0.000 0.785 452 S N -1.239 114.093 115.700 -0.613 0.000 2.481 452 S HA 0.001 4.471 4.470 0.000 0.000 0.231 452 S C 1.023 175.593 174.600 -0.050 0.000 0.996 452 S CA 0.064 58.084 58.200 -0.300 0.000 0.942 452 S CB -1.231 61.946 63.200 -0.039 0.000 0.768 452 S HN -0.081 nan 8.310 nan 0.000 0.520 453 V N 3.510 123.355 119.914 -0.115 0.000 2.439 453 V HA 0.267 4.387 4.120 0.000 0.000 0.271 453 V C 1.024 176.976 176.094 -0.237 0.000 1.040 453 V CA -0.130 62.072 62.300 -0.163 0.000 1.002 453 V CB 0.546 32.175 31.823 -0.323 0.000 1.000 453 V HN 0.628 nan 8.190 nan 0.000 0.477 454 I N 2.687 123.168 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 0.000 0.000 0.331 454 I C 0.322 176.321 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.614 61.300 -0.134 0.000 1.149 454 I CB 0.480 38.480 38.000 -0.000 0.000 1.112 454 I HN 0.308 nan 8.210 nan 0.000 0.403 455 I N 0.067 120.500 120.570 -0.229 0.000 2.802 455 I HA 0.380 4.550 4.170 0.000 0.000 0.298 455 I C -1.559 174.442 176.117 -0.193 0.000 1.176 455 I CA -0.432 60.767 61.300 -0.168 0.000 1.025 455 I CB 2.247 40.243 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.396 124.739 121.300 0.073 0.000 2.496 456 W HA 0.637 5.297 4.660 0.000 0.000 0.327 456 W C 0.283 176.861 176.519 0.099 0.000 1.086 456 W CA -0.679 56.714 57.345 0.081 0.000 1.222 456 W CB 1.796 31.299 29.460 0.070 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.635 118.563 115.700 0.380 0.000 2.521 457 S HA 0.412 4.882 4.470 0.000 0.000 0.295 457 S C 0.142 174.903 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.853 64.170 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.030 125.405 121.223 0.253 0.000 2.599 458 L HA 0.377 4.717 4.340 0.000 0.000 0.230 458 L C 1.357 178.300 176.870 0.122 0.000 1.141 458 L CA 0.464 55.385 54.840 0.135 0.000 0.877 458 L CB -0.988 41.058 42.059 -0.022 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.103 108.839 108.800 0.237 0.000 2.270 459 G HA2 -0.089 3.871 3.960 0.000 0.000 0.268 459 G HA3 -0.089 3.871 3.960 0.000 0.000 0.268 459 G C -1.784 173.287 174.900 0.286 0.000 1.312 459 G CA -0.649 44.589 45.100 0.230 0.000 1.050 459 G HN 0.140 nan 8.290 nan 0.000 0.474 460 N N -0.111 118.702 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 0.000 0.000 0.274 460 N C -0.431 175.037 175.510 -0.070 0.000 1.170 460 N CA -0.022 53.004 53.050 -0.041 0.000 0.848 460 N CB 1.665 39.860 38.487 -0.486 0.000 1.629 460 N HN 0.846 nan 8.380 nan 0.000 0.481 461 E N 0.444 120.509 120.200 -0.224 0.000 2.106 461 E HA -0.192 4.158 4.350 0.000 0.000 0.175 461 E C -0.762 175.756 176.600 -0.136 0.000 1.448 461 E CA 0.725 56.922 56.400 -0.338 0.000 0.672 461 E CB -1.254 27.970 29.700 -0.794 0.000 1.057 461 E HN 0.391 nan 8.360 nan 0.000 0.321 462 S N 0.052 115.817 115.700 0.108 0.000 2.843 462 S HA 0.392 4.862 4.470 0.000 0.000 0.249 462 S C 0.729 175.492 174.600 0.272 0.000 1.047 462 S CA -0.168 58.148 58.200 0.192 0.000 1.042 462 S CB 1.325 64.695 63.200 0.283 0.000 0.936 462 S HN 0.830 nan 8.310 nan 0.000 0.531 463 G N 2.039 110.938 108.800 0.165 0.000 2.578 463 G HA2 -0.271 3.689 3.960 0.000 0.000 0.275 463 G HA3 -0.271 3.689 3.960 0.000 0.000 0.275 463 G C -0.479 174.629 174.900 0.348 0.000 1.271 463 G CA -0.031 45.168 45.100 0.166 0.000 0.941 463 G HN 0.628 nan 8.290 nan 0.000 0.564 464 H N 0.598 119.787 119.070 0.199 0.000 2.823 464 H HA 0.584 5.140 4.556 0.000 0.000 0.332 464 H C 0.242 175.742 175.328 0.285 0.000 0.980 464 H CA 0.072 56.275 56.048 0.259 0.000 1.286 464 H CB 0.841 30.685 29.762 0.137 0.000 1.541 464 H HN 1.140 nan 8.280 nan 0.000 0.521 465 G N 1.414 110.217 108.800 0.006 0.000 2.730 465 G HA2 0.452 4.412 3.960 0.000 0.000 0.289 465 G HA3 0.452 4.412 3.960 0.000 0.000 0.289 465 G C 0.475 175.203 174.900 -0.287 0.000 1.341 465 G CA -0.158 44.797 45.100 -0.242 0.000 0.932 465 G HN 0.648 nan 8.290 nan 0.000 0.481 466 A N 0.086 122.791 122.820 -0.191 0.000 2.024 466 A HA -0.088 4.232 4.320 0.000 0.000 0.220 466 A C 2.092 179.639 177.584 -0.060 0.000 1.164 466 A CA 1.925 53.904 52.037 -0.097 0.000 0.643 466 A CB -0.432 18.536 19.000 -0.052 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.337 118.286 118.700 -0.128 0.000 2.223 467 N HA -0.136 4.604 4.740 0.000 0.000 0.185 467 N C 1.393 176.840 175.510 -0.106 0.000 1.016 467 N CA 1.651 54.619 53.050 -0.138 0.000 0.863 467 N CB -0.619 37.739 38.487 -0.215 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.258 119.285 119.070 -0.072 0.000 2.326 468 H HA -0.026 4.530 4.556 0.000 0.000 0.301 468 H C 1.232 176.609 175.328 0.082 0.000 1.081 468 H CA 1.247 57.265 56.048 -0.049 0.000 1.334 468 H CB 0.165 29.888 29.762 -0.065 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.484 121.029 120.400 0.240 0.000 2.123 469 D HA -0.148 4.492 4.640 0.000 0.000 0.196 469 D C 2.304 178.750 176.300 0.244 0.000 0.992 469 D CA 1.229 55.370 54.000 0.234 0.000 0.833 469 D CB -0.505 40.403 40.800 0.181 0.000 0.954 469 D HN 0.426 nan 8.370 nan 0.000 0.455 470 A N 0.693 123.607 122.820 0.156 0.000 1.902 470 A HA -0.128 4.192 4.320 0.000 0.000 0.217 470 A C 2.401 180.093 177.584 0.180 0.000 1.181 470 A CA 1.004 53.125 52.037 0.141 0.000 0.623 470 A CB -0.729 18.313 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.280 119.039 121.223 0.161 0.000 2.179 471 L HA -0.110 4.230 4.340 0.000 0.000 0.208 471 L C 2.547 179.565 176.870 0.247 0.000 1.096 471 L CA 1.341 56.281 54.840 0.167 0.000 0.779 471 L CB -0.645 41.448 42.059 0.057 0.000 0.922 471 L HN 0.596 nan 8.230 nan 0.000 0.443 472 Y N 0.828 121.209 120.300 0.135 0.000 2.128 472 Y HA -0.255 4.295 4.550 0.000 0.000 0.284 472 Y C 2.846 178.821 175.900 0.125 0.000 1.154 472 Y CA 1.474 59.653 58.100 0.132 0.000 1.149 472 Y CB -0.162 38.377 38.460 0.131 0.000 0.976 472 Y HN -0.077 nan 8.280 nan 0.000 0.505 473 R N -0.019 120.583 120.500 0.169 0.000 2.096 473 R HA -0.229 4.111 4.340 0.000 0.000 0.235 473 R C 2.070 178.362 176.300 -0.013 0.000 1.127 473 R CA 1.822 57.939 56.100 0.029 0.000 0.968 473 R CB -1.584 28.822 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.017 122.272 121.300 -0.075 0.000 2.355 474 W HA -0.144 4.516 4.660 0.000 0.000 0.309 474 W C 1.838 178.266 176.519 -0.152 0.000 1.206 474 W CA 1.570 58.859 57.345 -0.094 0.000 1.284 474 W CB -0.314 29.096 29.460 -0.084 0.000 1.145 474 W HN -0.017 nan 8.180 nan 0.000 0.502 475 I N 0.834 121.372 120.570 -0.055 0.000 2.226 475 I HA -0.326 3.844 4.170 0.000 0.000 0.245 475 I C 2.358 178.247 176.117 -0.379 0.000 1.100 475 I CA 1.279 62.384 61.300 -0.325 0.000 1.374 475 I CB -0.825 37.069 38.000 -0.177 0.000 1.057 475 I HN -0.093 nan 8.210 nan 0.000 0.413 476 K N 0.902 121.098 120.400 -0.340 0.000 2.152 476 K HA -0.095 4.225 4.320 0.000 0.000 0.206 476 K C 2.218 178.665 176.600 -0.254 0.000 1.048 476 K CA 1.337 57.449 56.287 -0.292 0.000 0.933 476 K CB -0.412 31.885 32.500 -0.338 0.000 0.721 476 K HN 0.302 nan 8.250 nan 0.000 0.447 477 S N 0.534 116.044 115.700 -0.316 0.000 2.395 477 S HA -0.032 4.438 4.470 0.000 0.000 0.225 477 S C 2.170 176.548 174.600 -0.371 0.000 1.027 477 S CA 0.626 58.649 58.200 -0.295 0.000 0.965 477 S CB -0.029 63.006 63.200 -0.276 0.000 0.812 477 S HN -0.015 nan 8.310 nan 0.000 0.482 478 V N 1.266 120.819 119.914 -0.602 0.000 2.649 478 V HA 0.064 4.184 4.120 0.000 0.000 0.248 478 V C 0.311 176.173 176.094 -0.386 0.000 1.054 478 V CA 1.162 63.100 62.300 -0.603 0.000 1.073 478 V CB -0.125 31.006 31.823 -1.153 0.000 0.699 478 V HN 0.368 nan 8.190 nan 0.000 0.463 479 D N -0.887 119.327 120.400 -0.309 0.000 2.364 479 D HA 0.248 4.888 4.640 0.000 0.000 0.251 479 D C -2.168 174.119 176.300 -0.022 0.000 1.282 479 D CA -1.555 52.379 54.000 -0.111 0.000 0.927 479 D CB 1.685 42.512 40.800 0.044 0.000 1.267 479 D HN 0.087 nan 8.370 nan 0.000 0.531 480 P HA -0.009 nan 4.420 nan 0.000 0.241 480 P C 1.031 178.344 177.300 0.022 0.000 1.191 480 P CA 0.346 63.434 63.100 -0.020 0.000 0.771 480 P CB 0.158 31.838 31.700 -0.033 0.000 0.929 481 S N -1.244 114.479 115.700 0.038 0.000 2.561 481 S HA 0.079 4.549 4.470 0.000 0.000 0.225 481 S C 0.876 175.496 174.600 0.034 0.000 0.977 481 S CA -0.096 58.130 58.200 0.044 0.000 0.926 481 S CB -0.359 62.863 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.009 121.541 120.500 0.053 0.000 2.673 482 R HA 0.550 4.890 4.340 0.000 0.000 0.281 482 R C -3.235 173.106 176.300 0.068 0.000 0.991 482 R CA -2.177 53.919 56.100 -0.006 0.000 0.896 482 R CB 1.583 31.767 30.300 -0.192 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.170 nan 4.420 nan 0.000 0.274 483 P C -0.790 176.608 177.300 0.163 0.000 1.246 483 P CA -0.478 62.679 63.100 0.094 0.000 0.795 483 P CB 0.723 32.465 31.700 0.070 0.000 1.006 484 V N 1.616 121.657 119.914 0.210 0.000 2.555 484 V HA 0.455 4.575 4.120 0.000 0.000 0.302 484 V C 0.184 176.452 176.094 0.291 0.000 1.038 484 V CA -0.354 62.121 62.300 0.292 0.000 0.887 484 V CB 1.279 33.275 31.823 0.288 0.000 0.991 484 V HN 0.648 nan 8.190 nan 0.000 0.434 485 Q N 3.458 123.413 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 0.000 0.000 0.281 485 Q C -1.882 174.266 176.000 0.246 0.000 1.099 485 Q CA -0.942 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.972 31.773 28.738 0.104 0.000 1.419 485 Q HN 0.660 nan 8.270 nan 0.000 0.427 486 Y N 0.339 120.641 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 0.000 0.000 0.317 486 Y C -0.506 175.330 175.900 -0.107 0.000 1.234 486 Y CA -0.666 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.968 40.388 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.495 123.239 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 0.000 0.000 0.193 487 E C 0.713 176.857 176.600 -0.760 0.000 0.998 487 E CA 0.749 56.779 56.400 -0.616 0.000 0.851 487 E CB 0.238 29.686 29.700 -0.420 0.000 0.795 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.188 107.740 108.800 -1.453 0.000 2.559 488 G HA2 0.222 4.183 3.960 0.000 0.000 0.235 488 G HA3 0.222 4.183 3.960 0.000 0.000 0.235 488 G C 0.772 175.510 174.900 -0.270 0.000 1.266 488 G CA 0.258 44.914 45.100 -0.739 0.000 0.847 488 G HN 0.328 nan 8.290 nan 0.000 0.583 489 G N -0.642 108.105 108.800 -0.088 0.000 2.198 489 G HA2 0.228 4.188 3.960 0.000 0.000 0.260 489 G HA3 0.228 4.188 3.960 0.000 0.000 0.260 489 G C 1.267 176.157 174.900 -0.016 0.000 1.025 489 G CA 1.034 46.146 45.100 0.019 0.000 0.769 489 G HN 2.600 nan 8.290 nan 0.000 0.507 490 G N -1.681 107.103 108.800 -0.027 0.000 2.229 490 G HA2 0.418 4.378 3.960 0.000 0.000 0.189 490 G HA3 0.418 4.378 3.960 0.000 0.000 0.189 490 G C 1.072 176.058 174.900 0.144 0.000 1.000 490 G CA 1.325 46.466 45.100 0.068 0.000 0.663 490 G HN 2.347 nan 8.290 nan 0.000 0.493 491 A N -0.183 122.615 122.820 -0.037 0.000 3.413 491 A HA -0.102 4.218 4.320 0.000 0.000 0.268 491 A C 1.115 178.633 177.584 -0.111 0.000 1.128 491 A CA 2.661 54.626 52.037 -0.120 0.000 1.062 491 A CB -1.803 17.107 19.000 -0.150 0.000 1.121 491 A HN 2.132 nan 8.150 nan 0.000 0.895 492 D N -1.122 119.283 120.400 0.008 0.000 2.636 492 D HA 0.285 4.925 4.640 0.000 0.000 0.270 492 D C 0.459 176.743 176.300 -0.028 0.000 1.430 492 D CA 0.902 54.915 54.000 0.023 0.000 0.796 492 D CB -1.173 39.771 40.800 0.241 0.000 1.117 492 D HN 0.862 nan 8.370 nan 0.000 0.480 493 T N -2.070 112.402 114.554 -0.136 0.000 2.652 493 T HA 0.153 4.503 4.350 0.000 0.000 0.319 493 T C 1.623 176.187 174.700 -0.227 0.000 1.029 493 T CA 0.664 62.613 62.100 -0.251 0.000 0.990 493 T CB 0.696 69.192 68.868 -0.620 0.000 1.098 493 T HN 0.085 nan 8.240 nan 0.000 0.520 494 T N -2.345 112.060 114.554 -0.248 0.000 3.113 494 T HA 0.210 4.560 4.350 0.000 0.000 0.263 494 T C 1.666 176.087 174.700 -0.466 0.000 1.143 494 T CA 0.360 62.322 62.100 -0.230 0.000 1.090 494 T CB -0.479 68.328 68.868 -0.101 0.000 0.922 494 T HN 0.828 nan 8.240 nan 0.000 0.521 495 A N 0.466 123.038 122.820 -0.413 0.000 2.379 495 A HA 0.479 4.799 4.320 0.000 0.000 0.236 495 A C 0.930 178.302 177.584 -0.352 0.000 1.272 495 A CA -0.168 51.571 52.037 -0.496 0.000 0.886 495 A CB 0.024 19.010 19.000 -0.023 0.000 0.962 495 A HN 0.433 nan 8.150 nan 0.000 0.504 496 T N -1.540 112.853 114.554 -0.269 0.000 2.912 496 T HA 0.394 4.744 4.350 0.000 0.000 0.299 496 T C -0.592 174.123 174.700 0.025 0.000 1.052 496 T CA -0.453 61.636 62.100 -0.017 0.000 0.996 496 T CB 1.328 70.184 68.868 -0.019 0.000 1.070 496 T HN 0.066 nan 8.240 nan 0.000 0.465 497 D N 2.663 123.155 120.400 0.153 0.000 2.354 497 D HA 0.298 4.938 4.640 0.000 0.000 0.209 497 D C 0.266 176.595 176.300 0.047 0.000 1.015 497 D CA 0.658 54.736 54.000 0.131 0.000 0.867 497 D CB 0.394 41.300 40.800 0.176 0.000 0.933 497 D HN 0.529 nan 8.370 nan 0.000 0.520 498 I N 0.805 121.382 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 0.000 0.000 0.292 498 I C -0.305 175.745 176.117 -0.111 0.000 1.066 498 I CA -0.906 60.367 61.300 -0.044 0.000 1.053 498 I CB 2.937 40.922 38.000 -0.025 0.000 1.241 498 I HN -0.356 nan 8.210 nan 0.000 0.421 499 I N 5.436 125.894 120.570 -0.185 0.000 2.436 499 I HA 0.083 4.253 4.170 0.000 0.000 0.289 499 I C 0.025 175.935 176.117 -0.346 0.000 1.083 499 I CA -0.045 61.055 61.300 -0.333 0.000 1.372 499 I CB 0.166 37.864 38.000 -0.502 0.000 1.408 499 I HN 0.653 nan 8.210 nan 0.000 0.516 500 C N 5.528 124.640 119.300 -0.314 0.000 3.414 500 C HA 0.480 4.940 4.460 0.000 0.000 0.208 500 C C -2.224 172.620 174.990 -0.243 0.000 1.422 500 C CA -2.287 56.590 59.018 -0.234 0.000 1.437 500 C CB -0.873 26.788 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.381 nan 4.420 nan 0.000 0.275 501 P C -0.466 176.765 177.300 -0.115 0.000 1.266 501 P CA 0.128 63.113 63.100 -0.192 0.000 0.793 501 P CB 0.684 32.280 31.700 -0.172 0.000 1.074 502 M N -0.428 119.130 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 0.000 0.000 0.301 502 M C -0.985 175.273 176.300 -0.070 0.000 0.987 502 M CA -0.652 54.516 55.300 -0.221 0.000 0.921 502 M CB 1.526 33.966 32.600 -0.267 0.000 1.569 502 M HN 0.340 nan 8.290 nan 0.000 0.431 503 Y N -0.302 120.144 120.300 0.243 0.000 4.569 503 Y HA -0.201 4.349 4.550 0.000 0.000 0.237 503 Y C 0.448 176.500 175.900 0.253 0.000 1.090 503 Y CA 0.436 58.680 58.100 0.241 0.000 2.052 503 Y CB -2.270 36.295 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.221 124.236 122.820 0.324 0.000 2.425 504 A HA 0.606 4.926 4.320 0.000 0.000 0.249 504 A C 0.723 178.501 177.584 0.323 0.000 1.084 504 A CA -0.470 51.765 52.037 0.329 0.000 0.781 504 A CB 0.422 19.651 19.000 0.381 0.000 1.019 504 A HN 0.405 nan 8.150 nan 0.000 0.490 505 R N 1.375 122.001 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 0.000 0.000 0.266 505 R C 0.952 177.223 176.300 -0.048 0.000 1.086 505 R CA -0.753 55.411 56.100 0.106 0.000 1.160 505 R CB 0.539 30.873 30.300 0.057 0.000 1.138 505 R HN 0.468 nan 8.270 nan 0.000 0.567 506 V N 0.630 120.369 119.914 -0.293 0.000 2.283 506 V HA -0.191 3.929 4.120 0.000 0.000 0.243 506 V C 0.929 176.907 176.094 -0.194 0.000 1.039 506 V CA 1.877 63.956 62.300 -0.368 0.000 1.016 506 V CB -0.248 31.240 31.823 -0.559 0.000 0.650 506 V HN 0.751 nan 8.190 nan 0.000 0.449 507 D N -1.586 118.732 120.400 -0.136 0.000 2.479 507 D HA 0.156 4.796 4.640 0.000 0.000 0.216 507 D C 0.649 176.928 176.300 -0.035 0.000 1.110 507 D CA 0.065 54.017 54.000 -0.080 0.000 0.841 507 D CB 0.839 41.596 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.223 121.409 120.200 -0.024 0.000 2.242 508 E HA 0.222 4.572 4.350 0.000 0.000 0.275 508 E C -0.805 175.795 176.600 0.001 0.000 1.002 508 E CA -0.581 55.813 56.400 -0.010 0.000 0.841 508 E CB 1.501 31.194 29.700 -0.011 0.000 1.109 508 E HN -0.122 nan 8.360 nan 0.000 0.394 509 D N 1.963 122.360 120.400 -0.005 0.000 2.193 509 D HA 0.174 4.814 4.640 0.000 0.000 0.249 509 D C -0.645 175.554 176.300 -0.169 0.000 1.034 509 D CA -0.163 53.827 54.000 -0.017 0.000 0.902 509 D CB 1.182 42.035 40.800 0.089 0.000 1.182 509 D HN 0.236 nan 8.370 nan 0.000 0.436 510 Q N 1.695 121.280 119.800 -0.357 0.000 2.616 510 Q HA 0.275 4.615 4.340 0.000 0.000 0.250 510 Q C -2.312 173.041 176.000 -1.078 0.000 0.991 510 Q CA -1.608 53.790 55.803 -0.676 0.000 0.707 510 Q CB 2.526 30.865 28.738 -0.665 0.000 1.247 510 Q HN 0.139 nan 8.270 nan 0.000 0.491 511 P HA 0.084 nan 4.420 nan 0.000 0.214 511 P C -0.773 176.204 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.515 63.100 -0.694 0.000 0.977 511 P CB -0.523 30.966 31.700 -0.352 0.000 1.930 512 F N 2.615 122.419 119.950 -0.244 0.000 2.459 512 F HA 0.242 4.769 4.527 0.000 0.000 0.346 512 F C -1.168 174.527 175.800 -0.175 0.000 1.128 512 F CA -2.565 55.336 58.000 -0.166 0.000 1.268 512 F CB -0.347 38.569 39.000 -0.140 0.000 1.161 512 F HN 0.073 nan 8.300 nan 0.000 0.583 513 P HA 0.075 nan 4.420 nan 0.000 0.268 513 P C 0.322 177.637 177.300 0.026 0.000 1.204 513 P CA 0.859 63.977 63.100 0.029 0.000 0.768 513 P CB 1.175 32.892 31.700 0.029 0.000 0.842 514 A N 3.008 125.831 122.820 0.004 0.000 2.617 514 A HA -0.253 4.067 4.320 0.000 0.000 0.236 514 A C 0.723 178.307 177.584 -0.001 0.000 0.514 514 A CA 2.090 54.132 52.037 0.008 0.000 1.126 514 A CB -2.699 16.308 19.000 0.013 0.000 1.393 514 A HN 0.717 nan 8.150 nan 0.000 0.693 515 V N -3.224 116.690 119.914 -0.000 0.000 2.502 515 V HA 0.567 4.687 4.120 0.000 0.000 0.261 515 V C -2.433 173.659 176.094 -0.004 0.000 0.996 515 V CA -1.204 61.094 62.300 -0.002 0.000 1.095 515 V CB 0.750 32.580 31.823 0.011 0.000 1.325 515 V HN 0.479 nan 8.190 nan 0.000 0.574 516 P HA 0.351 nan 4.420 nan 0.000 0.274 516 P C -0.755 176.098 177.300 -0.745 0.000 1.246 516 P CA -0.022 62.715 63.100 -0.606 0.000 0.795 516 P CB 1.054 31.982 31.700 -1.287 0.000 1.006 517 K N 1.650 121.620 120.400 -0.717 0.000 2.521 517 K HA 0.252 4.572 4.320 0.000 0.000 0.248 517 K C -0.528 175.753 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.716 33.264 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.392 122.378 121.300 -0.523 0.000 2.129 518 W HA 0.077 4.737 4.660 0.000 0.000 0.349 518 W C 1.303 177.815 176.519 -0.012 0.000 1.279 518 W CA -0.684 56.452 57.345 -0.349 0.000 1.306 518 W CB 0.554 29.630 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.081 118.934 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 0.000 0.000 0.289 519 S C 1.149 175.887 174.600 0.229 0.000 1.304 519 S CA -0.294 57.999 58.200 0.155 0.000 1.063 519 S CB 0.146 63.380 63.200 0.056 0.000 0.848 519 S HN 0.522 nan 8.310 nan 0.000 0.499 520 I N 2.349 123.022 120.570 0.172 0.000 2.454 520 I HA -0.157 4.013 4.170 0.000 0.000 0.254 520 I C 1.835 177.968 176.117 0.028 0.000 1.156 520 I CA 1.146 62.550 61.300 0.174 0.000 1.433 520 I CB -0.495 37.548 38.000 0.071 0.000 1.082 520 I HN 0.625 nan 8.210 nan 0.000 0.432 521 K N 2.053 122.376 120.400 -0.129 0.000 2.155 521 K HA -0.150 4.170 4.320 0.000 0.000 0.203 521 K C 2.154 178.730 176.600 -0.039 0.000 1.052 521 K CA 1.523 57.653 56.287 -0.260 0.000 0.948 521 K CB -0.281 31.969 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.587 120.991 120.400 0.006 0.000 2.167 522 K HA -0.133 4.187 4.320 0.000 0.000 0.203 522 K C 1.865 178.463 176.600 -0.003 0.000 1.052 522 K CA 0.507 56.781 56.287 -0.022 0.000 0.956 522 K CB -0.059 32.394 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.021 123.278 121.300 -0.072 0.000 2.342 523 W HA -0.175 4.485 4.660 0.000 0.000 0.297 523 W C 1.453 177.936 176.519 -0.061 0.000 1.213 523 W CA 1.200 58.514 57.345 -0.052 0.000 1.251 523 W CB -0.407 29.114 29.460 0.101 0.000 1.136 523 W HN 0.108 nan 8.180 nan 0.000 0.526 524 L N 0.764 122.137 121.223 0.251 0.000 2.191 524 L HA -0.211 4.129 4.340 0.000 0.000 0.212 524 L C 2.478 179.405 176.870 0.095 0.000 1.103 524 L CA 1.772 56.697 54.840 0.142 0.000 0.769 524 L CB -0.981 41.142 42.059 0.105 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.927 114.807 115.700 0.058 0.000 2.575 525 S HA 0.158 4.628 4.470 0.000 0.000 0.215 525 S C 0.765 175.342 174.600 -0.038 0.000 0.966 525 S CA -0.464 57.743 58.200 0.011 0.000 0.911 525 S CB -0.433 62.769 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.146 123.334 121.223 -0.060 0.000 2.506 526 L HA 0.241 4.581 4.340 0.000 0.000 0.281 526 L C -2.235 174.601 176.870 -0.056 0.000 1.228 526 L CA -1.728 53.037 54.840 -0.124 0.000 0.850 526 L CB -0.431 41.518 42.059 -0.184 0.000 1.110 526 L HN 0.039 nan 8.230 nan 0.000 0.496 527 P HA -0.000 nan 4.420 nan 0.000 0.260 527 P C 0.796 178.087 177.300 -0.015 0.000 1.185 527 P CA 0.916 63.992 63.100 -0.040 0.000 0.763 527 P CB 0.569 32.240 31.700 -0.048 0.000 0.776 528 G N 1.986 110.784 108.800 -0.004 0.000 2.199 528 G HA2 -0.262 3.698 3.960 0.000 0.000 0.254 528 G HA3 -0.262 3.698 3.960 0.000 0.000 0.254 528 G C 0.253 175.167 174.900 0.022 0.000 0.982 528 G CA -0.000 45.105 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.139 121.357 120.200 0.031 0.000 2.338 529 E HA 0.587 4.937 4.350 0.000 0.000 0.272 529 E C 1.377 177.999 176.600 0.037 0.000 1.029 529 E CA 0.642 57.073 56.400 0.051 0.000 0.872 529 E CB 0.835 30.592 29.700 0.095 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.629 115.201 114.554 0.030 0.000 3.087 530 T HA 0.332 4.682 4.350 0.000 0.000 0.283 530 T C 0.603 175.309 174.700 0.011 0.000 0.956 530 T CA -0.436 61.677 62.100 0.020 0.000 0.894 530 T CB 0.108 68.987 68.868 0.019 0.000 1.160 530 T HN 0.243 nan 8.240 nan 0.000 0.532 531 R N 2.167 122.669 120.500 0.004 0.000 2.707 531 R HA 0.469 4.809 4.340 0.000 0.000 0.270 531 R C -2.542 173.737 176.300 -0.036 0.000 1.083 531 R CA -1.734 54.357 56.100 -0.015 0.000 1.182 531 R CB 0.037 30.321 30.300 -0.027 0.000 1.084 531 R HN 0.228 nan 8.270 nan 0.000 0.528 532 P HA 0.136 nan 4.420 nan 0.000 0.276 532 P C -1.119 176.110 177.300 -0.119 0.000 1.252 532 P CA -0.230 62.827 63.100 -0.072 0.000 0.802 532 P CB 0.660 32.318 31.700 -0.070 0.000 1.035 533 L N 2.051 123.185 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.923 4.340 0.000 0.000 0.275 533 L C -1.168 175.563 176.870 -0.232 0.000 0.987 533 L CA -0.566 54.146 54.840 -0.213 0.000 0.828 533 L CB 0.639 42.563 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.744 126.182 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 0.000 0.000 0.286 534 I C -0.790 175.235 176.117 -0.154 0.000 1.063 534 I CA -0.556 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.040 39.959 38.000 -0.134 0.000 1.223 534 I HN 0.481 nan 8.210 nan 0.000 0.435 535 L N 5.667 126.771 121.223 -0.198 0.000 2.410 535 L HA 0.052 4.392 4.340 0.000 0.000 0.273 535 L C 1.501 178.440 176.870 0.115 0.000 1.144 535 L CA -0.183 54.601 54.840 -0.092 0.000 0.863 535 L CB 0.734 42.706 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.601 119.946 119.300 0.075 0.000 2.446 536 C HA 0.096 4.556 4.460 0.000 0.000 0.279 536 C C 0.646 175.756 174.990 0.200 0.000 1.366 536 C CA -0.081 59.014 59.018 0.128 0.000 1.763 536 C CB -0.984 26.743 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.827 119.422 120.200 0.081 0.000 2.304 537 E HA 0.607 4.957 4.350 0.000 0.000 0.277 537 E C -1.302 175.249 176.600 -0.081 0.000 0.898 537 E CA -0.396 56.045 56.400 0.070 0.000 0.764 537 E CB 1.833 31.412 29.700 -0.202 0.000 1.216 537 E HN 0.692 nan 8.360 nan 0.000 0.419 538 Y N -0.913 119.378 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 0.000 0.000 0.334 538 Y C -0.595 175.473 175.900 0.279 0.000 1.185 538 Y CA -0.997 57.105 58.100 0.004 0.000 1.053 538 Y CB 1.023 39.365 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.928 124.809 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 0.000 0.000 0.286 539 A C -0.355 177.362 177.584 0.222 0.000 1.429 539 A CA 1.038 53.127 52.037 0.086 0.000 0.738 539 A CB -2.495 16.419 19.000 -0.143 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.865 120.088 119.070 0.255 0.000 3.226 540 H HA 0.224 4.780 4.556 0.000 0.000 0.260 540 H C 1.228 176.625 175.328 0.115 0.000 0.967 540 H CA 0.794 57.002 56.048 0.267 0.000 1.435 540 H CB 0.344 30.143 29.762 0.060 0.000 1.533 540 H HN 0.816 nan 8.280 nan 0.000 0.525 541 A N 6.439 129.195 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 0.000 0.000 0.247 541 A C 0.987 178.441 177.584 -0.216 0.000 1.389 541 A CA -0.291 51.647 52.037 -0.166 0.000 1.129 541 A CB -0.671 18.212 19.000 -0.194 0.000 0.928 541 A HN 0.793 nan 8.150 nan 0.000 0.557 542 M N 1.346 120.806 119.600 -0.232 0.000 2.156 542 M HA 0.432 4.912 4.480 0.000 0.000 0.345 542 M C 0.977 177.126 176.300 -0.251 0.000 1.398 542 M CA 1.239 56.405 55.300 -0.223 0.000 1.148 542 M CB -0.323 32.192 32.600 -0.143 0.000 1.663 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.329 112.958 108.800 -0.284 0.000 2.528 543 G HA2 -0.327 3.633 3.960 0.000 0.000 0.262 543 G HA3 -0.327 3.633 3.960 0.000 0.000 0.262 543 G C -0.279 174.158 174.900 -0.772 0.000 1.200 543 G CA -0.044 44.733 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.349 119.449 118.700 -1.000 0.000 2.421 544 N HA 0.525 5.265 4.740 0.000 0.000 0.260 544 N C -0.008 175.246 175.510 -0.427 0.000 1.173 544 N CA 1.086 53.677 53.050 -0.764 0.000 0.960 544 N CB 0.526 38.572 38.487 -0.735 0.000 1.273 544 N HN 0.792 nan 8.380 nan 0.000 0.497 545 S N 1.911 117.441 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 0.000 0.000 0.321 545 S C -0.193 174.334 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.170 63.286 63.200 -0.141 0.000 1.301 545 S HN 0.396 nan 8.310 nan 0.000 0.629 546 L N 0.193 121.376 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 0.000 0.000 0.409 546 L C 0.460 177.361 176.870 0.052 0.000 1.100 546 L CA 0.894 55.714 54.840 -0.033 0.000 1.029 546 L CB -1.712 40.241 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.855 107.951 108.800 0.009 0.000 2.378 547 G HA2 0.487 4.447 3.960 0.000 0.000 0.255 547 G HA3 0.487 4.447 3.960 0.000 0.000 0.255 547 G C 1.211 176.162 174.900 0.086 0.000 1.270 547 G CA 0.150 45.238 45.100 -0.019 0.000 0.876 547 G HN 1.375 nan 8.290 nan 0.000 0.521 548 G N 1.583 110.439 108.800 0.092 0.000 2.175 548 G HA2 -0.309 3.651 3.960 0.000 0.000 0.244 548 G HA3 -0.309 3.651 3.960 0.000 0.000 0.244 548 G C 1.000 176.105 174.900 0.341 0.000 0.982 548 G CA 0.718 45.932 45.100 0.190 0.000 0.641 548 G HN 0.775 nan 8.290 nan 0.000 0.527 549 F N 1.870 121.948 119.950 0.214 0.000 2.126 549 F HA 0.117 4.644 4.527 0.000 0.000 0.299 549 F C 2.670 178.692 175.800 0.371 0.000 1.096 549 F CA 2.554 60.748 58.000 0.322 0.000 1.255 549 F CB -0.439 38.679 39.000 0.197 0.000 0.997 549 F HN 0.351 nan 8.300 nan 0.000 0.479 550 A N -0.124 122.854 122.820 0.263 0.000 1.972 550 A HA -0.206 4.114 4.320 0.000 0.000 0.219 550 A C 2.298 179.901 177.584 0.032 0.000 1.169 550 A CA 1.621 53.743 52.037 0.141 0.000 0.635 550 A CB -0.665 18.427 19.000 0.152 0.000 0.810 550 A HN 0.408 nan 8.150 nan 0.000 0.446 551 K N -1.446 118.961 120.400 0.012 0.000 2.063 551 K HA -0.202 4.118 4.320 0.000 0.000 0.208 551 K C 1.810 178.192 176.600 -0.363 0.000 1.048 551 K CA 1.941 58.144 56.287 -0.139 0.000 0.928 551 K CB -0.386 32.008 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.691 119.345 120.300 -0.440 0.000 2.145 552 Y HA -0.258 4.292 4.550 0.000 0.000 0.286 552 Y C 2.173 177.145 175.900 -1.548 0.000 1.145 552 Y CA 1.362 58.849 58.100 -1.020 0.000 1.148 552 Y CB -0.397 37.467 38.460 -0.994 0.000 0.981 552 Y HN 0.170 nan 8.280 nan 0.000 0.507 553 W N 0.148 121.042 121.300 -0.676 0.000 2.374 553 W HA -0.191 4.469 4.660 0.000 0.000 0.288 553 W C 2.593 178.933 176.519 -0.298 0.000 1.218 553 W CA 1.585 58.647 57.345 -0.472 0.000 1.245 553 W CB -0.546 28.724 29.460 -0.317 0.000 1.126 553 W HN 0.112 nan 8.180 nan 0.000 0.545 554 Q N -0.028 119.673 119.800 -0.164 0.000 2.079 554 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 554 Q C 2.330 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.687 57.438 55.803 -0.088 0.000 0.840 554 Q CB -0.331 28.370 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.154 122.809 122.820 -0.274 0.000 1.902 555 A HA -0.145 4.175 4.320 0.000 0.000 0.217 555 A C 1.828 179.366 177.584 -0.076 0.000 1.181 555 A CA 1.026 52.939 52.037 -0.207 0.000 0.623 555 A CB -1.002 17.750 19.000 -0.414 0.000 0.818 555 A HN 0.471 nan 8.150 nan 0.000 0.443 556 F N -0.591 119.185 119.950 -0.290 0.000 2.161 556 F HA -0.188 4.339 4.527 0.000 0.000 0.300 556 F C 2.720 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.084 58.884 58.000 -0.333 0.000 1.282 556 F CB -0.134 38.461 39.000 -0.674 0.000 1.010 556 F HN 0.143 nan 8.300 nan 0.000 0.485 557 R N -0.001 120.557 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 0.000 0.000 0.223 557 R C 2.113 178.451 176.300 0.064 0.000 1.088 557 R CA 1.005 57.150 56.100 0.075 0.000 0.985 557 R CB -0.247 30.093 30.300 0.066 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.571 119.294 119.800 0.109 0.000 2.302 558 Q HA -0.023 4.317 4.340 0.000 0.000 0.202 558 Q C -0.560 175.471 176.000 0.051 0.000 0.936 558 Q CA 0.701 56.557 55.803 0.089 0.000 0.886 558 Q CB 0.472 29.286 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.112 120.394 120.300 -0.030 0.000 2.331 559 Y HA 0.297 4.847 4.550 0.000 0.000 0.338 559 Y C -1.800 174.076 175.900 -0.039 0.000 0.976 559 Y CA -2.859 55.223 58.100 -0.030 0.000 1.137 559 Y CB 1.514 39.959 38.460 -0.024 0.000 1.172 559 Y HN 0.081 nan 8.280 nan 0.000 0.478 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.108 178.414 177.300 0.009 0.000 1.157 560 P CA 1.755 64.864 63.100 0.015 0.000 0.868 560 P CB 0.323 32.015 31.700 -0.014 0.000 0.788 561 R N -0.948 119.574 120.500 0.037 0.000 2.339 561 R HA 0.090 4.430 4.340 0.000 0.000 0.199 561 R C 0.422 176.701 176.300 -0.034 0.000 1.018 561 R CA 0.194 56.295 56.100 0.001 0.000 1.036 561 R CB -0.537 29.772 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.981 123.199 121.223 -0.010 0.000 2.302 562 L HA 0.147 4.487 4.340 0.000 0.000 0.285 562 L C 0.723 177.453 176.870 -0.234 0.000 1.090 562 L CA 0.061 54.849 54.840 -0.087 0.000 0.866 562 L CB 1.181 43.261 42.059 0.034 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.682 122.278 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.649 4.340 0.000 0.000 0.206 563 Q C 0.854 176.448 176.000 -0.677 0.000 0.877 563 Q CA 0.127 55.690 55.803 -0.400 0.000 0.958 563 Q CB 0.942 29.532 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.387 107.651 108.800 -1.271 0.000 2.337 564 G HA2 0.170 4.130 3.960 0.000 0.000 0.197 564 G HA3 0.170 4.130 3.960 0.000 0.000 0.197 564 G C -0.435 173.680 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.774 0.000 1.119 564 G HN 0.524 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.123 108.800 -0.852 0.000 2.342 565 G HA2 0.651 4.611 3.960 0.000 0.000 0.297 565 G HA3 0.651 4.611 3.960 0.000 0.000 0.297 565 G C -1.935 172.865 174.900 -0.166 0.000 1.313 565 G CA -0.351 44.465 45.100 -0.474 0.000 0.830 565 G HN 1.124 nan 8.290 nan 0.000 0.506 566 F N 0.613 120.794 119.950 0.385 0.000 2.460 566 F HA 0.532 5.059 4.527 0.000 0.000 0.341 566 F C 0.724 176.817 175.800 0.488 0.000 1.130 566 F CA -0.754 57.501 58.000 0.426 0.000 0.962 566 F CB 2.117 41.269 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.080 123.306 119.914 0.520 0.000 2.963 567 V HA -0.091 4.029 4.120 0.000 0.000 0.306 567 V C -0.320 175.954 176.094 0.300 0.000 1.077 567 V CA -0.333 62.089 62.300 0.203 0.000 1.124 567 V CB 0.943 32.864 31.823 0.164 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.994 127.369 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 0.000 0.000 0.315 568 W C -1.047 175.491 176.519 0.031 0.000 1.016 568 W CA -0.685 56.765 57.345 0.176 0.000 1.318 568 W CB 1.430 31.138 29.460 0.413 0.000 1.247 568 W HN 0.916 nan 8.180 nan 0.000 0.414 569 D N 2.648 122.719 120.400 -0.547 0.000 2.812 569 D HA 0.123 4.763 4.640 0.000 0.000 0.318 569 D C 0.676 176.761 176.300 -0.358 0.000 1.234 569 D CA -0.558 53.013 54.000 -0.716 0.000 0.989 569 D CB 0.282 40.126 40.800 -1.594 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.570 121.563 121.300 -0.512 0.000 2.381 570 W HA 0.080 4.740 4.660 0.000 0.000 0.321 570 W C -0.125 176.168 176.519 -0.377 0.000 1.196 570 W CA 1.360 58.459 57.345 -0.411 0.000 1.304 570 W CB 0.196 29.444 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.803 120.525 119.914 -0.320 0.000 2.715 571 V HA 0.295 4.415 4.120 0.000 0.000 0.310 571 V C -0.537 175.358 176.094 -0.330 0.000 1.054 571 V CA -1.125 60.917 62.300 -0.430 0.000 0.928 571 V CB 1.321 33.013 31.823 -0.219 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.056 122.266 120.400 -0.317 0.000 2.455 572 D HA 0.129 4.769 4.640 0.000 0.000 0.241 572 D C 0.193 176.345 176.300 -0.248 0.000 1.138 572 D CA 0.534 54.402 54.000 -0.221 0.000 0.877 572 D CB 1.062 41.816 40.800 -0.076 0.000 1.187 572 D HN 0.651 nan 8.370 nan 0.000 0.451 573 Q N 1.165 120.771 119.800 -0.323 0.000 3.135 573 Q HA 0.162 4.502 4.340 0.000 0.000 0.344 573 Q C -0.367 175.630 176.000 -0.005 0.000 1.321 573 Q CA -0.374 55.070 55.803 -0.598 0.000 1.050 573 Q CB 0.198 28.634 28.738 -0.504 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.070 115.729 115.700 0.165 0.000 2.565 574 S HA 0.669 5.139 4.470 0.000 0.000 0.290 574 S C -0.227 174.558 174.600 0.307 0.000 1.150 574 S CA -0.821 57.573 58.200 0.323 0.000 1.058 574 S CB 1.611 64.971 63.200 0.267 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.796 123.134 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 0.000 0.000 0.273 575 L C -0.377 176.419 176.870 -0.122 0.000 1.013 575 L CA -1.065 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.546 43.454 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.272 122.711 120.570 -0.219 0.000 2.474 576 I HA 0.200 4.370 4.170 0.000 0.000 0.287 576 I C 0.071 175.835 176.117 -0.588 0.000 1.048 576 I CA 0.199 61.251 61.300 -0.412 0.000 1.383 576 I CB 0.736 38.509 38.000 -0.379 0.000 1.412 576 I HN 0.525 nan 8.210 nan 0.000 0.531 577 K N 4.800 124.567 120.400 -1.056 0.000 2.433 577 K HA 0.585 4.905 4.320 0.000 0.000 0.252 577 K C -1.745 174.088 176.600 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.345 33.860 32.500 -1.642 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.402 120.458 120.300 -0.407 0.000 2.499 578 Y HA 0.185 4.735 4.550 0.000 0.000 0.347 578 Y C -0.152 175.861 175.900 0.189 0.000 0.987 578 Y CA -1.226 56.830 58.100 -0.073 0.000 1.044 578 Y CB 1.356 39.789 38.460 -0.046 0.000 1.245 578 Y HN 0.630 nan 8.280 nan 0.000 0.461 579 D N -0.271 120.394 120.400 0.440 0.000 2.340 579 D HA 0.163 4.803 4.640 0.000 0.000 0.251 579 D C 0.481 176.895 176.300 0.190 0.000 1.080 579 D CA -0.660 53.519 54.000 0.298 0.000 0.971 579 D CB 0.988 41.900 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.439 120.708 120.200 0.114 0.000 2.253 580 E HA -0.249 4.101 4.350 0.000 0.000 0.202 580 E C 0.661 177.295 176.600 0.057 0.000 1.014 580 E CA 1.400 57.839 56.400 0.066 0.000 0.823 580 E CB -0.613 29.110 29.700 0.037 0.000 0.736 580 E HN 0.432 nan 8.360 nan 0.000 0.478 581 N N 0.267 119.011 118.700 0.073 0.000 2.370 581 N HA 0.109 4.849 4.740 0.000 0.000 0.198 581 N C 0.704 176.259 175.510 0.076 0.000 1.156 581 N CA 0.818 53.905 53.050 0.061 0.000 0.839 581 N CB 0.742 39.261 38.487 0.053 0.000 0.989 581 N HN 0.346 nan 8.380 nan 0.000 0.468 582 G N 1.063 109.925 108.800 0.103 0.000 2.221 582 G HA2 -0.262 3.698 3.960 0.000 0.000 0.265 582 G HA3 -0.262 3.698 3.960 0.000 0.000 0.265 582 G C -0.396 174.660 174.900 0.259 0.000 1.041 582 G CA -0.306 44.858 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.168 120.041 118.700 0.289 0.000 2.438 583 N HA 0.513 5.253 4.740 0.000 0.000 0.282 583 N C -2.527 173.143 175.510 0.267 0.000 1.037 583 N CA -1.418 51.790 53.050 0.263 0.000 0.942 583 N CB 2.170 40.761 38.487 0.173 0.000 1.136 583 N HN 0.145 nan 8.380 nan 0.000 0.481 584 P HA 0.361 nan 4.420 nan 0.000 0.288 584 P C -0.569 176.670 177.300 -0.102 0.000 1.267 584 P CA -0.451 62.413 63.100 -0.393 0.000 0.815 584 P CB 0.840 32.296 31.700 -0.407 0.000 0.989 585 W N -0.283 120.746 121.300 -0.451 0.000 3.083 585 W HA 0.472 5.132 4.660 0.000 0.000 0.333 585 W C -1.412 174.919 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.977 57.345 -0.406 0.000 1.170 585 W CB 0.443 29.461 29.460 -0.737 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.493 117.284 115.700 0.151 0.000 2.474 586 S HA 0.556 5.026 4.470 0.000 0.000 0.276 586 S C 0.125 174.917 174.600 0.321 0.000 1.227 586 S CA -0.210 58.078 58.200 0.145 0.000 1.050 586 S CB 0.670 63.997 63.200 0.212 0.000 0.939 586 S HN 0.589 nan 8.310 nan 0.000 0.490 587 A N 3.261 126.127 122.820 0.077 0.000 2.340 587 A HA 0.867 5.187 4.320 0.000 0.000 0.331 587 A C -0.743 177.119 177.584 0.463 0.000 1.140 587 A CA -0.726 51.392 52.037 0.134 0.000 0.801 587 A CB 0.670 19.473 19.000 -0.329 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.554 120.081 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 0.000 0.000 0.318 588 Y C 0.601 176.850 175.900 0.582 0.000 1.313 588 Y CA -1.432 56.977 58.100 0.515 0.000 1.117 588 Y CB 0.015 38.600 38.460 0.209 0.000 1.344 588 Y HN 0.946 nan 8.280 nan 0.000 0.525 589 G N 0.004 109.163 108.800 0.598 0.000 2.224 589 G HA2 0.360 4.320 3.960 0.000 0.000 0.239 589 G HA3 0.360 4.320 3.960 0.000 0.000 0.239 589 G C 0.985 176.211 174.900 0.543 0.000 1.240 589 G CA 0.489 45.876 45.100 0.478 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.184 111.275 108.800 0.485 0.000 2.225 590 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 590 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 590 G C 0.914 176.019 174.900 0.341 0.000 0.988 590 G CA 0.712 46.036 45.100 0.374 0.000 0.625 590 G HN 0.656 nan 8.290 nan 0.000 0.527 591 D N -0.283 120.343 120.400 0.377 0.000 2.371 591 D HA 0.143 4.783 4.640 0.000 0.000 0.221 591 D C 1.315 177.496 176.300 -0.197 0.000 0.986 591 D CA 0.545 54.602 54.000 0.094 0.000 0.899 591 D CB -0.189 40.608 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.021 119.051 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 0.000 0.000 0.306 592 F C 1.771 177.654 175.800 0.140 0.000 1.102 592 F CA -0.174 57.907 58.000 0.135 0.000 1.244 592 F CB 0.723 39.797 39.000 0.125 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.549 109.514 108.800 0.276 0.000 2.159 593 G HA2 -0.277 3.683 3.960 0.000 0.000 0.256 593 G HA3 -0.277 3.683 3.960 0.000 0.000 0.256 593 G C -0.160 174.881 174.900 0.234 0.000 0.977 593 G CA 0.134 45.360 45.100 0.210 0.000 0.652 593 G HN 0.423 nan 8.290 nan 0.000 0.531 594 D N 0.747 121.337 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 0.000 0.000 0.247 594 D C -0.090 176.336 176.300 0.211 0.000 1.162 594 D CA 0.694 54.869 54.000 0.293 0.000 0.879 594 D CB 1.060 42.093 40.800 0.389 0.000 1.163 594 D HN 0.085 nan 8.370 nan 0.000 0.472 595 T N 2.839 117.489 114.554 0.160 0.000 2.971 595 T HA 0.451 4.801 4.350 0.000 0.000 0.304 595 T C -2.368 172.375 174.700 0.071 0.000 1.038 595 T CA -0.980 61.183 62.100 0.104 0.000 1.007 595 T CB 1.964 70.888 68.868 0.093 0.000 1.055 595 T HN 0.400 nan 8.240 nan 0.000 0.451 596 P HA 0.501 nan 4.420 nan 0.000 0.278 596 P C -1.093 176.194 177.300 -0.021 0.000 1.258 596 P CA -0.691 62.409 63.100 -0.001 0.000 0.811 596 P CB 0.845 32.517 31.700 -0.047 0.000 1.063 597 N N -0.546 118.149 118.700 -0.008 0.000 2.571 597 N HA 0.201 4.941 4.740 0.000 0.000 0.273 597 N C -1.015 174.471 175.510 -0.040 0.000 1.340 597 N CA -0.562 52.474 53.050 -0.024 0.000 0.789 597 N CB 1.636 40.203 38.487 0.133 0.000 1.514 597 N HN 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.147 120.225 120.400 -0.047 0.000 2.593 598 D HA 0.124 4.764 4.640 0.000 0.000 0.241 598 D C 0.570 177.104 176.300 0.390 0.000 1.257 598 D CA -0.190 53.858 54.000 0.080 0.000 0.828 598 D CB 1.042 41.748 40.800 -0.156 0.000 1.049 598 D HN 0.649 nan 8.370 nan 0.000 0.490 599 R N 0.346 121.053 120.500 0.344 0.000 3.772 599 R HA -0.374 3.966 4.340 0.000 0.000 0.480 599 R C 0.991 177.284 176.300 -0.011 0.000 0.241 599 R CA 1.496 57.766 56.100 0.284 0.000 1.508 599 R CB -1.401 28.992 30.300 0.156 0.000 0.956 599 R HN 0.012 nan 8.270 nan 0.000 0.583 600 Q N 0.638 120.123 119.800 -0.525 0.000 2.437 600 Q HA 0.095 4.435 4.340 0.000 0.000 0.210 600 Q C 1.832 177.536 176.000 -0.493 0.000 0.972 600 Q CA 1.750 57.081 55.803 -0.787 0.000 0.903 600 Q CB -0.251 27.900 28.738 -0.979 0.000 0.967 600 Q HN 0.458 nan 8.270 nan 0.000 0.486 601 F N 0.507 120.344 119.950 -0.188 0.000 2.323 601 F HA -0.246 4.281 4.527 0.000 0.000 0.301 601 F C 1.908 177.640 175.800 -0.113 0.000 1.060 601 F CA 1.013 58.992 58.000 -0.034 0.000 1.398 601 F CB -0.459 38.598 39.000 0.094 0.000 1.075 601 F HN 0.338 nan 8.300 nan 0.000 0.540 602 C N -1.573 117.446 119.300 -0.469 0.000 2.562 602 C HA 0.232 4.692 4.460 0.000 0.000 0.266 602 C C 0.991 175.786 174.990 -0.325 0.000 1.382 602 C CA -0.532 58.061 59.018 -0.709 0.000 1.742 602 C CB -1.622 25.155 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.948 122.399 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 0.000 0.000 0.342 603 M C -0.527 175.665 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.547 33.072 32.600 -0.125 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.530 120.121 118.700 -0.181 0.000 2.307 604 N HA 0.195 4.935 4.740 0.000 0.000 0.248 604 N C 0.120 175.435 175.510 -0.324 0.000 1.322 604 N CA -0.099 52.809 53.050 -0.236 0.000 0.861 604 N CB 1.394 39.827 38.487 -0.090 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.250 108.321 108.800 -0.382 0.000 2.502 605 G HA2 0.485 4.445 3.960 0.000 0.000 0.305 605 G HA3 0.485 4.445 3.960 0.000 0.000 0.305 605 G C 0.820 175.288 174.900 -0.720 0.000 1.190 605 G CA -0.498 44.282 45.100 -0.533 0.000 0.933 605 G HN 0.115 nan 8.290 nan 0.000 0.503 606 L N -0.313 120.491 121.223 -0.699 0.000 2.446 606 L HA 0.162 4.502 4.340 0.000 0.000 0.219 606 L C 0.685 176.957 176.870 -0.995 0.000 1.116 606 L CA 0.239 54.670 54.840 -0.682 0.000 0.844 606 L CB -0.104 41.700 42.059 -0.425 0.000 0.970 606 L HN 0.376 nan 8.230 nan 0.000 0.457 607 V N -5.065 114.147 119.914 -1.171 0.000 2.962 607 V HA 0.470 4.590 4.120 0.000 0.000 0.313 607 V C -0.371 175.234 176.094 -0.815 0.000 1.099 607 V CA -1.219 60.493 62.300 -0.980 0.000 0.971 607 V CB 1.680 32.977 31.823 -0.877 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.673 121.451 119.950 -0.287 0.000 2.444 608 F HA 0.531 5.058 4.527 0.000 0.000 0.331 608 F C 1.973 177.682 175.800 -0.152 0.000 1.167 608 F CA 0.510 58.470 58.000 -0.068 0.000 1.262 608 F CB 1.250 40.254 39.000 0.006 0.000 1.196 608 F HN 0.818 nan 8.300 nan 0.000 0.583 609 A N 1.081 123.989 122.820 0.147 0.000 2.042 609 A HA -0.286 4.034 4.320 0.000 0.000 0.222 609 A C 1.531 179.090 177.584 -0.041 0.000 1.167 609 A CA 2.148 54.213 52.037 0.047 0.000 0.649 609 A CB -1.118 17.950 19.000 0.112 0.000 0.809 609 A HN 0.849 nan 8.150 nan 0.000 0.457 610 D N -3.267 117.128 120.400 -0.008 0.000 2.340 610 D HA 0.202 4.842 4.640 0.000 0.000 0.220 610 D C 0.606 176.886 176.300 -0.034 0.000 1.039 610 D CA -0.019 53.950 54.000 -0.053 0.000 0.866 610 D CB -0.058 40.714 40.800 -0.046 0.000 0.913 610 D HN 0.208 nan 8.370 nan 0.000 0.523 611 R N -1.000 119.473 120.500 -0.045 0.000 3.774 611 R HA -0.123 4.217 4.340 0.000 0.000 0.320 611 R C -0.502 175.780 176.300 -0.030 0.000 1.175 611 R CA 1.139 57.193 56.100 -0.076 0.000 0.849 611 R CB -3.279 27.011 30.300 -0.017 0.000 1.365 611 R HN 0.566 nan 8.270 nan 0.000 0.502 612 T N -2.538 112.049 114.554 0.054 0.000 2.824 612 T HA 0.724 5.074 4.350 0.000 0.000 0.280 612 T C -2.570 172.256 174.700 0.210 0.000 0.995 612 T CA -2.463 59.711 62.100 0.124 0.000 1.009 612 T CB 2.535 71.472 68.868 0.115 0.000 0.955 612 T HN -0.207 nan 8.240 nan 0.000 0.452 613 P HA 0.165 nan 4.420 nan 0.000 0.268 613 P C -0.156 177.188 177.300 0.072 0.000 1.204 613 P CA -0.094 62.995 63.100 -0.018 0.000 0.768 613 P CB 0.159 31.858 31.700 -0.001 0.000 0.842 614 H N 3.788 122.662 119.070 -0.326 0.000 2.505 614 H HA 0.132 4.688 4.556 0.000 0.000 0.355 614 H C -1.170 174.057 175.328 -0.169 0.000 1.179 614 H CA -2.018 53.825 56.048 -0.341 0.000 1.343 614 H CB 0.708 30.232 29.762 -0.397 0.000 1.501 614 H HN 0.325 nan 8.280 nan 0.000 0.569 615 P HA -0.124 nan 4.420 nan 0.000 0.220 615 P C 1.166 178.463 177.300 -0.006 0.000 1.148 615 P CA 1.124 64.213 63.100 -0.018 0.000 0.803 615 P CB -0.016 31.664 31.700 -0.033 0.000 0.782 616 A N -0.030 122.788 122.820 -0.004 0.000 2.024 616 A HA -0.188 4.132 4.320 0.000 0.000 0.220 616 A C 2.092 179.624 177.584 -0.087 0.000 1.164 616 A CA 1.326 53.327 52.037 -0.061 0.000 0.643 616 A CB -1.648 17.293 19.000 -0.099 0.000 0.806 616 A HN 0.186 nan 8.150 nan 0.000 0.451 617 L N -0.105 121.084 121.223 -0.055 0.000 2.127 617 L HA -0.141 4.199 4.340 0.000 0.000 0.211 617 L C 2.352 179.254 176.870 0.053 0.000 1.089 617 L CA 2.655 57.490 54.840 -0.008 0.000 0.757 617 L CB -0.774 41.278 42.059 -0.012 0.000 0.899 617 L HN 0.387 nan 8.230 nan 0.000 0.434 618 T N -1.355 113.237 114.554 0.063 0.000 2.904 618 T HA -0.159 4.191 4.350 0.000 0.000 0.267 618 T C 1.692 176.486 174.700 0.158 0.000 1.059 618 T CA 1.268 63.459 62.100 0.152 0.000 1.137 618 T CB -0.118 68.829 68.868 0.132 0.000 0.879 618 T HN 0.346 nan 8.240 nan 0.000 0.467 619 E N 1.677 121.914 120.200 0.062 0.000 2.077 619 E HA -0.019 4.331 4.350 0.000 0.000 0.193 619 E C 2.268 178.872 176.600 0.008 0.000 0.989 619 E CA 1.257 57.697 56.400 0.066 0.000 0.800 619 E CB -0.524 29.186 29.700 0.016 0.000 0.746 619 E HN 0.428 nan 8.360 nan 0.000 0.452 620 A N 1.025 123.744 122.820 -0.169 0.000 1.902 620 A HA -0.245 4.075 4.320 0.000 0.000 0.217 620 A C 2.172 179.648 177.584 -0.181 0.000 1.181 620 A CA 1.983 53.885 52.037 -0.224 0.000 0.623 620 A CB -0.652 18.202 19.000 -0.243 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.313 119.049 120.400 -0.063 0.000 2.063 621 K HA -0.276 4.044 4.320 0.000 0.000 0.208 621 K C 2.067 178.561 176.600 -0.176 0.000 1.048 621 K CA 1.946 58.200 56.287 -0.053 0.000 0.928 621 K CB -0.325 32.281 32.500 0.177 0.000 0.713 621 K HN 0.644 nan 8.250 nan 0.000 0.442 622 H N 0.466 119.344 119.070 -0.321 0.000 2.299 622 H HA -0.007 4.549 4.556 0.000 0.000 0.302 622 H C 1.968 177.012 175.328 -0.474 0.000 1.078 622 H CA 1.724 57.397 56.048 -0.626 0.000 1.323 622 H CB -0.003 29.390 29.762 -0.616 0.000 1.381 622 H HN 0.206 nan 8.280 nan 0.000 0.498 623 Q N 0.336 119.840 119.800 -0.493 0.000 2.226 623 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 623 Q C 1.629 177.094 176.000 -0.892 0.000 0.975 623 Q CA 1.341 56.783 55.803 -0.602 0.000 0.866 623 Q CB -0.050 28.478 28.738 -0.350 0.000 0.915 623 Q HN 0.718 nan 8.270 nan 0.000 0.440 624 Q N 0.885 120.137 119.800 -0.913 0.000 2.320 624 Q HA 0.027 4.367 4.340 0.000 0.000 0.201 624 Q C 0.180 175.628 176.000 -0.921 0.000 0.910 624 Q CA -0.267 54.851 55.803 -1.141 0.000 0.946 624 Q CB 0.193 28.287 28.738 -1.073 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.534 118.867 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 0.000 0.000 0.276 625 Q C -0.354 175.292 176.000 -0.591 0.000 1.059 625 Q CA 0.266 55.790 55.803 -0.465 0.000 0.923 625 Q CB 0.411 29.015 28.738 -0.223 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.368 120.070 119.950 -0.414 0.000 2.797 626 F HA 0.289 4.816 4.527 0.000 0.000 0.302 626 F C -0.234 175.004 175.800 -0.935 0.000 1.130 626 F CA -0.063 57.464 58.000 -0.788 0.000 1.387 626 F CB 0.373 38.557 39.000 -1.360 0.000 1.107 626 F HN 0.347 nan 8.300 nan 0.000 0.577 627 F N 0.181 120.057 119.950 -0.123 0.000 2.520 627 F HA 0.481 5.008 4.527 0.000 0.000 0.322 627 F C -0.094 175.390 175.800 -0.526 0.000 1.103 627 F CA -1.044 56.790 58.000 -0.277 0.000 0.926 627 F CB 1.347 40.197 39.000 -0.249 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.050 122.600 119.800 -0.417 0.000 2.377 628 Q HA 0.552 4.892 4.340 0.000 0.000 0.271 628 Q C -1.456 174.199 176.000 -0.575 0.000 1.077 628 Q CA -0.704 54.850 55.803 -0.415 0.000 0.820 628 Q CB 3.151 31.793 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.222 120.297 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 0.000 0.000 0.320 629 F C 0.391 176.418 175.800 0.379 0.000 1.076 629 F CA -0.841 57.351 58.000 0.321 0.000 0.928 629 F CB 2.123 41.421 39.000 0.497 0.000 1.189 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.729 122.535 120.500 0.510 0.000 2.686 630 R HA 0.654 4.994 4.340 0.000 0.000 0.283 630 R C -2.008 174.360 176.300 0.113 0.000 0.978 630 R CA -1.192 55.109 56.100 0.335 0.000 0.897 630 R CB 2.688 33.090 30.300 0.170 0.000 1.192 630 R HN 0.591 nan 8.270 nan 0.000 0.457 631 L N 1.343 122.503 121.223 -0.105 0.000 2.325 631 L HA 0.474 4.814 4.340 0.000 0.000 0.281 631 L C -1.025 175.688 176.870 -0.262 0.000 1.004 631 L CA 0.170 54.724 54.840 -0.476 0.000 0.823 631 L CB 1.958 43.281 42.059 -1.228 0.000 1.236 631 L HN 0.458 nan 8.230 nan 0.000 0.415 632 S N 3.715 119.290 115.700 -0.207 0.000 2.774 632 S HA 0.688 5.158 4.470 0.000 0.000 0.297 632 S C 0.407 174.922 174.600 -0.142 0.000 1.143 632 S CA 0.206 58.326 58.200 -0.135 0.000 1.090 632 S CB 0.379 63.534 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.912 108.800 -0.143 0.000 2.601 633 G HA2 -0.276 3.684 3.960 0.000 0.000 0.306 633 G HA3 -0.276 3.684 3.960 0.000 0.000 0.306 633 G C 0.389 175.187 174.900 -0.170 0.000 1.172 633 G CA 0.566 45.587 45.100 -0.132 0.000 0.966 633 G HN 0.623 nan 8.290 nan 0.000 0.542 634 Q N 1.128 120.833 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 0.000 0.000 0.214 634 Q C 0.059 175.937 176.000 -0.203 0.000 0.838 634 Q CA 0.639 56.329 55.803 -0.187 0.000 0.972 634 Q CB 1.060 29.707 28.738 -0.151 0.000 1.131 634 Q HN 0.554 nan 8.270 nan 0.000 0.498 635 T N 1.192 115.639 114.554 -0.178 0.000 2.767 635 T HA 0.517 4.867 4.350 0.000 0.000 0.284 635 T C 0.135 174.736 174.700 -0.166 0.000 0.973 635 T CA -0.289 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.400 70.212 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.605 123.099 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 0.000 0.000 0.294 636 I C 0.478 176.626 176.117 0.051 0.000 0.987 636 I CA -0.612 60.646 61.300 -0.070 0.000 1.225 636 I CB 1.428 39.418 38.000 -0.017 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.580 126.840 120.200 0.101 0.000 2.133 637 E HA 0.434 4.784 4.350 0.000 0.000 0.274 637 E C -1.540 175.167 176.600 0.178 0.000 0.930 637 E CA -0.600 55.869 56.400 0.114 0.000 0.770 637 E CB 1.575 31.320 29.700 0.075 0.000 1.104 637 E HN 0.339 nan 8.360 nan 0.000 0.403 638 V N 4.080 124.080 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 0.000 0.000 0.286 638 V C 0.000 176.115 176.094 0.035 0.000 1.034 638 V CA -0.488 61.858 62.300 0.077 0.000 0.893 638 V CB 1.768 33.661 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.143 117.677 114.554 -0.033 0.000 2.841 639 T HA 0.385 4.735 4.350 0.000 0.000 0.283 639 T C -0.231 174.477 174.700 0.014 0.000 1.000 639 T CA -0.321 61.778 62.100 -0.003 0.000 0.977 639 T CB 1.633 70.479 68.868 -0.038 0.000 0.979 639 T HN 0.688 nan 8.240 nan 0.000 0.446 640 S N 1.607 117.326 115.700 0.032 0.000 2.508 640 S HA 0.281 4.751 4.470 0.000 0.000 0.284 640 S C 0.505 175.010 174.600 -0.159 0.000 1.192 640 S CA -0.613 57.554 58.200 -0.054 0.000 1.070 640 S CB 0.645 63.890 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.044 123.053 120.200 -0.319 0.000 2.496 641 E HA 0.118 4.468 4.350 0.000 0.000 0.200 641 E C -0.966 175.486 176.600 -0.248 0.000 1.016 641 E CA -0.098 56.153 56.400 -0.248 0.000 0.962 641 E CB 0.349 29.893 29.700 -0.260 0.000 1.071 641 E HN 0.660 nan 8.360 nan 0.000 0.457 642 Y N 0.357 120.555 120.300 -0.171 0.000 2.299 642 Y HA 0.111 4.661 4.550 0.000 0.000 0.326 642 Y C 1.356 177.099 175.900 -0.262 0.000 1.164 642 Y CA -0.275 57.698 58.100 -0.212 0.000 1.234 642 Y CB 0.988 39.300 38.460 -0.246 0.000 1.219 642 Y HN -0.002 nan 8.280 nan 0.000 0.497 643 L N 1.738 122.812 121.223 -0.249 0.000 2.463 643 L HA 0.059 4.399 4.340 0.000 0.000 0.219 643 L C 0.602 176.998 176.870 -0.789 0.000 1.088 643 L CA 0.686 55.127 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.334 42.059 -1.293 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.387 119.581 119.950 0.031 0.000 2.699 644 F HA 0.199 4.726 4.527 0.000 0.000 0.295 644 F C 1.289 177.070 175.800 -0.031 0.000 1.052 644 F CA -0.801 57.189 58.000 -0.017 0.000 1.239 644 F CB 0.333 39.300 39.000 -0.056 0.000 1.018 644 F HN -0.121 nan 8.300 nan 0.000 0.627 645 R N 0.091 120.625 120.500 0.056 0.000 2.573 645 R HA 0.463 4.803 4.340 0.000 0.000 0.272 645 R C -0.990 175.299 176.300 -0.017 0.000 1.009 645 R CA -0.672 55.405 56.100 -0.039 0.000 1.059 645 R CB 0.785 30.961 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.395 119.438 119.070 -0.045 0.000 2.505 646 H HA 0.160 4.716 4.556 0.000 0.000 0.351 646 H C -0.262 175.076 175.328 0.016 0.000 1.151 646 H CA -0.204 55.853 56.048 0.014 0.000 1.339 646 H CB 1.263 31.041 29.762 0.026 0.000 1.483 646 H HN 0.760 nan 8.280 nan 0.000 0.558 647 S N 2.461 118.017 115.700 -0.241 0.000 3.829 647 S HA -0.014 4.456 4.470 0.000 0.000 0.250 647 S C -0.086 174.606 174.600 0.154 0.000 1.263 647 S CA -0.237 57.996 58.200 0.055 0.000 0.955 647 S CB -0.662 62.581 63.200 0.072 0.000 1.611 647 S HN 0.727 nan 8.310 nan 0.000 0.483 648 D N 0.715 121.216 120.400 0.169 0.000 2.427 648 D HA 0.110 4.750 4.640 0.000 0.000 0.224 648 D C 0.224 176.584 176.300 0.100 0.000 1.157 648 D CA -0.460 53.643 54.000 0.171 0.000 0.828 648 D CB -0.247 40.649 40.800 0.160 0.000 0.974 648 D HN 0.484 nan 8.370 nan 0.000 0.498 649 N N 0.171 118.929 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 0.000 0.000 0.265 649 N C -1.630 173.937 175.510 0.095 0.000 1.625 649 N CA -0.151 52.945 53.050 0.077 0.000 0.862 649 N CB 0.278 38.798 38.487 0.054 0.000 1.415 649 N HN -0.023 nan 8.380 nan 0.000 0.513 650 E N 0.088 120.339 120.200 0.085 0.000 2.278 650 E HA 0.462 4.812 4.350 0.000 0.000 0.272 650 E C -1.718 174.913 176.600 0.052 0.000 0.890 650 E CA -0.597 55.840 56.400 0.061 0.000 0.770 650 E CB 1.956 31.659 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.126 124.387 121.223 0.064 0.000 2.362 651 L HA 0.555 4.895 4.340 0.000 0.000 0.275 651 L C -1.509 175.447 176.870 0.143 0.000 0.998 651 L CA -0.925 53.984 54.840 0.116 0.000 0.820 651 L CB 1.634 43.788 42.059 0.159 0.000 1.270 651 L HN 0.595 nan 8.230 nan 0.000 0.415 652 L N 4.877 126.220 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 0.000 0.000 0.289 652 L C -0.598 176.500 176.870 0.380 0.000 1.033 652 L CA 0.140 55.129 54.840 0.247 0.000 0.814 652 L CB 0.387 42.585 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.934 125.068 119.070 0.107 0.000 2.488 653 H HA 0.346 4.902 4.556 0.000 0.000 0.322 653 H C -1.084 174.326 175.328 0.136 0.000 1.078 653 H CA -0.713 55.359 56.048 0.041 0.000 1.260 653 H CB 0.926 30.679 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.667 125.032 121.300 0.109 0.000 2.850 654 W HA 0.593 5.253 4.660 0.000 0.000 0.349 654 W C -1.313 175.248 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.570 31.079 29.460 0.081 0.000 1.442 654 W HN 0.560 nan 8.180 nan 0.000 0.575 655 M N 1.469 121.421 119.600 0.588 0.000 2.389 655 M HA 0.519 4.999 4.480 0.000 0.000 0.291 655 M C -2.668 173.873 176.300 0.402 0.000 1.128 655 M CA -0.465 55.040 55.300 0.341 0.000 0.942 655 M CB 1.857 34.490 32.600 0.055 0.000 1.783 655 M HN 0.129 nan 8.290 nan 0.000 0.501 656 V N 3.160 123.294 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 0.000 0.000 0.295 656 V C -0.175 176.038 176.094 0.199 0.000 1.029 656 V CA 0.005 62.482 62.300 0.295 0.000 0.874 656 V CB 1.231 33.228 31.823 0.290 0.000 0.985 656 V HN 1.084 nan 8.190 nan 0.000 0.438 657 A N 4.489 127.437 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 0.000 0.000 0.298 657 A C -1.524 176.192 177.584 0.220 0.000 1.059 657 A CA -0.593 51.540 52.037 0.159 0.000 0.698 657 A CB 1.767 20.821 19.000 0.089 0.000 1.289 657 A HN 0.870 nan 8.150 nan 0.000 0.404 658 L N 1.493 122.811 121.223 0.158 0.000 2.295 658 L HA 0.581 4.921 4.340 0.000 0.000 0.281 658 L C -0.631 176.343 176.870 0.174 0.000 1.018 658 L CA 0.263 55.212 54.840 0.180 0.000 0.841 658 L CB 0.420 42.548 42.059 0.116 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.475 125.046 120.400 0.285 0.000 2.751 659 D HA -0.198 4.442 4.640 0.000 0.000 0.233 659 D C 1.114 177.439 176.300 0.041 0.000 1.149 659 D CA 1.624 55.771 54.000 0.245 0.000 0.682 659 D CB -1.114 39.801 40.800 0.192 0.000 1.068 659 D HN 1.168 nan 8.370 nan 0.000 0.429 660 G N -1.379 107.403 108.800 -0.030 0.000 2.234 660 G HA2 -0.350 3.610 3.960 0.000 0.000 0.235 660 G HA3 -0.350 3.610 3.960 0.000 0.000 0.235 660 G C 0.211 175.032 174.900 -0.131 0.000 0.997 660 G CA 0.377 45.354 45.100 -0.205 0.000 0.623 660 G HN 0.449 nan 8.290 nan 0.000 0.514 661 K N 1.984 122.360 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 0.000 0.000 0.275 661 K C -2.684 173.916 176.600 0.000 0.000 1.024 661 K CA -2.021 54.247 56.287 -0.030 0.000 0.887 661 K CB 1.923 34.417 32.500 -0.010 0.000 1.084 661 K HN 0.065 nan 8.250 nan 0.000 0.463 662 P HA 0.152 nan 4.420 nan 0.000 0.281 662 P C -0.258 177.050 177.300 0.013 0.000 1.252 662 P CA -0.217 62.880 63.100 -0.005 0.000 0.778 662 P CB 0.827 32.502 31.700 -0.043 0.000 0.895 663 L N 1.343 122.594 121.223 0.047 0.000 2.685 663 L HA 0.536 4.876 4.340 0.000 0.000 0.235 663 L C 0.812 177.720 176.870 0.063 0.000 1.070 663 L CA 0.202 55.075 54.840 0.055 0.000 0.888 663 L CB 0.214 42.322 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.144 122.725 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 0.000 0.000 0.297 664 A C -0.965 176.558 177.584 -0.102 0.000 1.060 664 A CA -0.340 51.744 52.037 0.078 0.000 0.697 664 A CB 1.492 20.665 19.000 0.287 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.285 115.128 115.700 -0.478 0.000 2.595 665 S HA 0.985 5.455 4.470 0.000 0.000 0.281 665 S C -0.078 173.660 174.600 -1.437 0.000 1.117 665 S CA -0.317 57.320 58.200 -0.938 0.000 0.873 665 S CB 2.014 64.919 63.200 -0.492 0.000 1.108 665 S HN 2.157 nan 8.310 nan 0.000 0.477 666 G N 0.034 107.704 108.800 -1.884 0.000 2.623 666 G HA2 0.633 4.593 3.960 0.000 0.000 0.290 666 G HA3 0.633 4.593 3.960 0.000 0.000 0.290 666 G C -2.223 172.160 174.900 -0.862 0.000 1.437 666 G CA -0.653 43.667 45.100 -1.300 0.000 0.798 666 G HN 0.608 nan 8.290 nan 0.000 0.488 667 E N -1.007 119.009 120.200 -0.306 0.000 2.292 667 E HA 0.626 4.976 4.350 0.000 0.000 0.272 667 E C -1.344 175.306 176.600 0.082 0.000 0.881 667 E CA -0.649 55.664 56.400 -0.145 0.000 0.754 667 E CB 3.066 32.621 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.810 123.822 119.914 0.164 0.000 2.808 668 V HA 0.463 4.583 4.120 0.000 0.000 0.308 668 V C -2.548 173.632 176.094 0.144 0.000 1.099 668 V CA -1.778 60.619 62.300 0.161 0.000 0.920 668 V CB 2.214 34.153 31.823 0.193 0.000 1.014 668 V HN 0.569 nan 8.190 nan 0.000 0.425 669 P HA 0.428 nan 4.420 nan 0.000 0.290 669 P C -0.883 176.469 177.300 0.087 0.000 1.276 669 P CA -0.376 62.782 63.100 0.097 0.000 0.808 669 P CB 1.131 32.883 31.700 0.086 0.000 0.966 670 L N 2.735 123.995 121.223 0.061 0.000 2.371 670 L HA 0.301 4.641 4.340 0.000 0.000 0.272 670 L C 0.438 177.346 176.870 0.065 0.000 1.124 670 L CA 0.370 55.229 54.840 0.032 0.000 0.816 670 L CB 0.399 42.415 42.059 -0.071 0.000 1.129 670 L HN 0.351 nan 8.230 nan 0.000 0.448 671 D N 2.268 122.707 120.400 0.065 0.000 2.517 671 D HA 0.355 4.995 4.640 0.000 0.000 0.263 671 D C -1.268 175.024 176.300 -0.014 0.000 1.233 671 D CA -0.088 53.985 54.000 0.123 0.000 0.849 671 D CB 0.904 41.822 40.800 0.196 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.565 120.325 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 0.000 0.000 0.302 672 V C 0.645 176.470 176.094 -0.448 0.000 1.035 672 V CA -1.362 60.829 62.300 -0.181 0.000 0.873 672 V CB 1.424 33.274 31.823 0.045 0.000 0.992 672 V HN 0.420 nan 8.190 nan 0.000 0.428 673 A N 5.650 128.379 122.820 -0.151 0.000 2.351 673 A HA 0.766 5.086 4.320 0.000 0.000 0.257 673 A C -2.341 175.255 177.584 0.020 0.000 1.087 673 A CA -1.621 50.426 52.037 0.018 0.000 0.798 673 A CB -0.069 19.011 19.000 0.132 0.000 1.033 673 A HN 0.719 nan 8.150 nan 0.000 0.488 674 P HA 0.031 nan 4.420 nan 0.000 0.261 674 P C -0.487 176.812 177.300 -0.002 0.000 1.183 674 P CA 0.660 63.776 63.100 0.026 0.000 0.761 674 P CB 0.364 32.062 31.700 -0.002 0.000 0.785 675 Q N -0.762 119.027 119.800 -0.019 0.000 2.416 675 Q HA -0.161 4.179 4.340 0.000 0.000 0.235 675 Q C 0.690 176.686 176.000 -0.006 0.000 0.773 675 Q CA 1.300 57.084 55.803 -0.031 0.000 1.286 675 Q CB -2.213 26.494 28.738 -0.051 0.000 1.556 675 Q HN 0.762 nan 8.270 nan 0.000 0.650 676 G N 0.267 109.076 108.800 0.015 0.000 2.705 676 G HA2 0.641 4.601 3.960 0.000 0.000 0.299 676 G HA3 0.641 4.601 3.960 0.000 0.000 0.299 676 G C -0.638 174.283 174.900 0.035 0.000 1.315 676 G CA -0.627 44.490 45.100 0.027 0.000 1.045 676 G HN -0.036 nan 8.290 nan 0.000 0.517 677 K N -0.541 119.883 120.400 0.040 0.000 2.328 677 K HA 0.499 4.819 4.320 0.000 0.000 0.246 677 K C -0.911 175.722 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.407 34.929 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.115 122.953 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 4.340 0.000 0.000 0.270 678 Q C -1.665 174.376 176.000 0.067 0.000 1.038 678 Q CA -0.629 55.214 55.803 0.066 0.000 0.812 678 Q CB 1.355 30.136 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.219 126.473 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 0.000 0.000 0.288 679 L C -0.437 176.453 176.870 0.034 0.000 1.033 679 L CA -0.646 54.217 54.840 0.038 0.000 0.807 679 L CB 1.236 43.307 42.059 0.021 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.174 123.759 120.570 0.025 0.000 2.382 680 I HA 0.228 4.398 4.170 0.000 0.000 0.286 680 I C -0.151 175.937 176.117 -0.049 0.000 1.002 680 I CA -0.680 60.625 61.300 0.008 0.000 1.135 680 I CB 1.898 39.920 38.000 0.037 0.000 1.288 680 I HN 0.485 nan 8.210 nan 0.000 0.448 681 E N 6.791 126.964 120.200 -0.046 0.000 2.180 681 E HA 0.356 4.706 4.350 0.000 0.000 0.283 681 E C -0.590 175.936 176.600 -0.122 0.000 1.061 681 E CA -0.290 56.065 56.400 -0.075 0.000 0.861 681 E CB 1.295 30.970 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.128 127.235 121.223 -0.193 0.000 2.326 682 L HA 0.296 4.636 4.340 0.000 0.000 0.278 682 L C -1.775 174.981 176.870 -0.189 0.000 1.092 682 L CA -1.824 52.838 54.840 -0.296 0.000 0.810 682 L CB 1.027 42.814 42.059 -0.453 0.000 1.153 682 L HN 0.245 nan 8.230 nan 0.000 0.439 683 P HA -0.021 nan 4.420 nan 0.000 0.270 683 P C -0.473 176.783 177.300 -0.074 0.000 1.223 683 P CA -0.296 62.774 63.100 -0.051 0.000 0.785 683 P CB 0.509 32.237 31.700 0.047 0.000 0.923 684 E N 0.816 120.996 120.200 -0.033 0.000 2.480 684 E HA 0.039 4.389 4.350 0.000 0.000 0.258 684 E C -0.251 176.339 176.600 -0.017 0.000 0.984 684 E CA 0.015 56.395 56.400 -0.034 0.000 0.930 684 E CB 0.143 29.832 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.452 127.651 121.223 -0.039 0.000 2.350 685 L HA 0.303 4.643 4.340 0.000 0.000 0.275 685 L C -1.868 175.009 176.870 0.012 0.000 1.099 685 L CA -2.112 52.720 54.840 -0.014 0.000 0.808 685 L CB 0.526 42.555 42.059 -0.050 0.000 1.149 685 L HN 0.424 nan 8.230 nan 0.000 0.442 686 P HA 0.054 nan 4.420 nan 0.000 0.268 686 P C -1.139 176.177 177.300 0.028 0.000 1.205 686 P CA -0.195 62.930 63.100 0.042 0.000 0.771 686 P CB 0.529 32.267 31.700 0.064 0.000 0.858 687 Q N 2.219 122.032 119.800 0.020 0.000 2.965 687 Q HA 0.265 4.605 4.340 0.000 0.000 0.288 687 Q C -2.070 173.941 176.000 0.017 0.000 0.974 687 Q CA -1.505 54.306 55.803 0.013 0.000 0.849 687 Q CB 0.411 29.151 28.738 0.002 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.044 nan 4.420 nan 0.000 0.267 688 P C -0.014 177.299 177.300 0.022 0.000 1.201 688 P CA 0.150 63.266 63.100 0.027 0.000 0.775 688 P CB 1.239 32.961 31.700 0.037 0.000 0.854 689 E N -0.120 120.093 120.200 0.021 0.000 2.201 689 E HA 0.024 4.374 4.350 0.000 0.000 0.193 689 E C 0.470 177.084 176.600 0.023 0.000 0.957 689 E CA 0.379 56.790 56.400 0.019 0.000 0.858 689 E CB -0.320 29.390 29.700 0.017 0.000 0.816 689 E HN 0.525 nan 8.360 nan 0.000 0.475 690 S N 1.630 117.346 115.700 0.027 0.000 2.550 690 S HA 0.180 4.650 4.470 0.000 0.000 0.285 690 S C 0.409 175.032 174.600 0.038 0.000 1.326 690 S CA 0.017 58.237 58.200 0.033 0.000 1.037 690 S CB 0.663 63.884 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.573 124.418 122.820 0.042 0.000 2.322 691 A HA 0.792 5.112 4.320 0.000 0.000 0.269 691 A C 0.889 178.510 177.584 0.062 0.000 1.094 691 A CA 0.210 52.275 52.037 0.047 0.000 0.807 691 A CB -0.051 18.977 19.000 0.048 0.000 1.047 691 A HN 1.882 nan 8.150 nan 0.000 0.487 692 G N -0.141 108.699 108.800 0.065 0.000 2.346 692 G HA2 0.304 4.264 3.960 0.000 0.000 0.294 692 G HA3 0.304 4.264 3.960 0.000 0.000 0.294 692 G C -1.284 173.664 174.900 0.079 0.000 1.294 692 G CA -0.854 44.302 45.100 0.095 0.000 0.962 692 G HN 0.859 nan 8.290 nan 0.000 0.508 693 Q N -0.633 119.247 119.800 0.133 0.000 2.307 693 Q HA 0.621 4.961 4.340 0.000 0.000 0.262 693 Q C -0.802 175.290 176.000 0.153 0.000 0.961 693 Q CA -0.762 55.082 55.803 0.068 0.000 0.882 693 Q CB 2.354 31.163 28.738 0.119 0.000 1.264 693 Q HN 0.514 nan 8.270 nan 0.000 0.446 694 L N 3.515 124.720 121.223 -0.030 0.000 2.275 694 L HA 0.499 4.839 4.340 0.000 0.000 0.288 694 L C -1.788 175.046 176.870 -0.061 0.000 1.046 694 L CA 0.058 54.931 54.840 0.055 0.000 0.805 694 L CB 0.497 42.560 42.059 0.006 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.445 126.812 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 0.000 0.000 0.337 695 W C -1.117 175.509 176.519 0.179 0.000 1.102 695 W CA -0.680 56.754 57.345 0.148 0.000 1.224 695 W CB 1.726 31.299 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.984 124.504 121.223 0.496 0.000 2.307 696 L HA 0.791 5.131 4.340 0.000 0.000 0.284 696 L C -0.370 176.804 176.870 0.507 0.000 1.023 696 L CA 0.176 55.282 54.840 0.443 0.000 0.810 696 L CB 1.354 43.621 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.961 119.756 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 0.000 0.000 0.285 697 T C -0.831 174.046 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.576 70.560 68.868 0.193 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.687 121.726 119.914 0.209 0.000 2.715 698 V HA 0.855 4.975 4.120 0.000 0.000 0.310 698 V C -0.631 175.520 176.094 0.095 0.000 1.054 698 V CA -1.127 61.265 62.300 0.154 0.000 0.928 698 V CB 1.859 33.696 31.823 0.025 0.000 1.007 698 V HN 0.795 nan 8.190 nan 0.000 0.437 699 R N 2.097 122.679 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 0.000 0.000 0.281 699 R C -1.630 174.749 176.300 0.131 0.000 0.991 699 R CA -0.666 55.522 56.100 0.148 0.000 0.896 699 R CB 2.684 33.018 30.300 0.056 0.000 1.201 699 R HN 0.712 nan 8.270 nan 0.000 0.457 700 V N 3.723 123.745 119.914 0.182 0.000 2.398 700 V HA 0.443 4.563 4.120 0.000 0.000 0.286 700 V C -0.426 175.711 176.094 0.073 0.000 1.026 700 V CA -0.619 61.761 62.300 0.134 0.000 0.868 700 V CB 1.718 33.648 31.823 0.177 0.000 0.982 700 V HN 0.437 nan 8.190 nan 0.000 0.443 701 V N 4.734 124.641 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 0.000 0.000 0.306 701 V C -0.328 175.790 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.981 33.670 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.526 124.376 119.800 0.082 0.000 2.421 702 Q HA 0.272 4.612 4.340 0.000 0.000 0.242 702 Q C -1.781 174.244 176.000 0.043 0.000 1.024 702 Q CA -1.785 54.073 55.803 0.091 0.000 0.891 702 Q CB 1.875 30.688 28.738 0.126 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.198 nan 4.420 nan 0.000 0.215 703 P C -0.581 176.724 177.300 0.009 0.000 1.157 703 P CA 1.351 64.468 63.100 0.029 0.000 0.868 703 P CB 0.319 32.044 31.700 0.041 0.000 0.788 704 N N -0.875 117.823 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 0.000 0.000 0.296 704 N C -0.359 175.106 175.510 -0.074 0.000 1.102 704 N CA -0.709 52.324 53.050 -0.028 0.000 0.924 704 N CB 0.872 39.345 38.487 -0.023 0.000 1.186 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 A N 0.491 123.258 122.820 -0.088 0.000 2.346 705 A HA 0.544 4.864 4.320 0.000 0.000 0.252 705 A C 0.547 178.008 177.584 -0.204 0.000 1.089 705 A CA -0.073 51.873 52.037 -0.152 0.000 0.797 705 A CB 0.016 18.951 19.000 -0.110 0.000 1.047 705 A HN 0.737 nan 8.150 nan 0.000 0.494 706 T N -3.514 110.834 114.554 -0.344 0.000 2.742 706 T HA 0.627 4.977 4.350 0.000 0.000 0.282 706 T C 0.853 175.361 174.700 -0.320 0.000 1.025 706 T CA 0.071 61.936 62.100 -0.391 0.000 1.020 706 T CB 1.078 69.450 68.868 -0.826 0.000 1.317 706 T HN 1.353 nan 8.240 nan 0.000 0.538 707 A N -0.215 122.492 122.820 -0.189 0.000 2.119 707 A HA 0.161 4.481 4.320 0.000 0.000 0.217 707 A C 1.572 179.261 177.584 0.175 0.000 1.153 707 A CA 0.788 52.858 52.037 0.054 0.000 0.692 707 A CB -0.805 18.318 19.000 0.205 0.000 0.799 707 A HN 0.897 nan 8.150 nan 0.000 0.458 708 W N -0.761 120.590 121.300 0.085 0.000 2.714 708 W HA 0.412 5.072 4.660 0.000 0.000 0.353 708 W C -0.133 176.350 176.519 -0.060 0.000 0.999 708 W CA 0.458 57.817 57.345 0.023 0.000 1.629 708 W CB -1.004 28.464 29.460 0.013 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.428 115.729 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 0.000 0.000 0.271 709 S C -0.513 173.856 174.600 -0.385 0.000 1.135 709 S CA -0.703 57.118 58.200 -0.631 0.000 0.858 709 S CB 2.766 65.212 63.200 -1.256 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.877 120.960 120.200 -0.195 0.000 2.322 710 E HA 0.572 4.922 4.350 0.000 0.000 0.257 710 E C 0.253 176.814 176.600 -0.065 0.000 1.155 710 E CA -0.885 55.460 56.400 -0.093 0.000 0.936 710 E CB 0.879 30.572 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.202 122.596 122.820 -0.037 0.000 2.425 711 A HA 0.451 4.771 4.320 0.000 0.000 0.249 711 A C 1.034 178.628 177.584 0.017 0.000 1.084 711 A CA 0.536 52.563 52.037 -0.017 0.000 0.781 711 A CB -0.234 18.757 19.000 -0.015 0.000 1.019 711 A HN 0.779 nan 8.150 nan 0.000 0.490 712 G N 0.340 109.155 108.800 0.026 0.000 2.136 712 G HA2 -0.233 3.727 3.960 0.000 0.000 0.242 712 G HA3 -0.233 3.727 3.960 0.000 0.000 0.242 712 G C 0.140 175.068 174.900 0.047 0.000 0.989 712 G CA 0.682 45.794 45.100 0.019 0.000 0.682 712 G HN 1.611 nan 8.290 nan 0.000 0.522 713 H N 0.447 119.509 119.070 -0.014 0.000 2.764 713 H HA 0.495 5.051 4.556 0.000 0.000 0.341 713 H C 0.505 175.876 175.328 0.072 0.000 1.072 713 H CA -0.431 55.635 56.048 0.030 0.000 1.444 713 H CB 0.314 30.084 29.762 0.013 0.000 1.458 713 H HN 0.050 nan 8.280 nan 0.000 0.572 714 I N 4.764 125.064 120.570 -0.449 0.000 2.325 714 I HA 0.012 4.182 4.170 0.000 0.000 0.291 714 I C 1.060 177.060 176.117 -0.196 0.000 1.019 714 I CA 0.152 61.325 61.300 -0.212 0.000 1.302 714 I CB 0.851 38.765 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.052 119.850 115.700 0.163 0.000 2.526 715 S HA 0.624 5.094 4.470 0.000 0.000 0.220 715 S C 0.499 175.367 174.600 0.446 0.000 1.017 715 S CA 0.060 58.483 58.200 0.372 0.000 0.930 715 S CB 0.721 64.249 63.200 0.546 0.000 0.856 715 S HN 0.720 nan 8.310 nan 0.000 0.497 716 A N 0.552 123.672 122.820 0.499 0.000 2.608 716 A HA 0.699 5.019 4.320 0.000 0.000 0.292 716 A C -1.787 176.176 177.584 0.632 0.000 1.066 716 A CA -0.915 51.407 52.037 0.475 0.000 0.676 716 A CB 0.442 19.765 19.000 0.539 0.000 1.277 716 A HN 0.915 nan 8.150 nan 0.000 0.413 717 W N -0.453 121.010 121.300 0.271 0.000 2.959 717 W HA 0.812 5.472 4.660 0.000 0.000 0.358 717 W C -1.155 175.391 176.519 0.046 0.000 1.228 717 W CA -0.634 56.752 57.345 0.069 0.000 1.183 717 W CB 1.167 30.611 29.460 -0.027 0.000 1.467 717 W HN 1.069 nan 8.180 nan 0.000 0.578 718 Q N 1.448 121.284 119.800 0.060 0.000 2.617 718 Q HA 0.334 4.674 4.340 0.000 0.000 0.270 718 Q C -1.760 174.012 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.149 30.568 28.738 -0.531 0.000 1.516 718 Q HN 0.670 nan 8.270 nan 0.000 0.395 719 Q N 2.541 122.055 119.800 -0.477 0.000 2.416 719 Q HA 0.726 5.066 4.340 0.000 0.000 0.281 719 Q C -1.461 174.396 176.000 -0.239 0.000 1.067 719 Q CA -0.591 55.100 55.803 -0.186 0.000 0.809 719 Q CB 1.743 30.563 28.738 0.138 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.005 123.497 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 4.660 0.000 0.000 0.335 720 W C -0.535 175.987 176.519 0.004 0.000 1.154 720 W CA -0.854 56.597 57.345 0.177 0.000 1.204 720 W CB 2.083 31.584 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.263 122.646 120.500 -0.195 0.000 2.216 721 R HA 0.285 4.625 4.340 0.000 0.000 0.332 721 R C 0.744 176.831 176.300 -0.355 0.000 1.056 721 R CA -0.048 55.551 56.100 -0.835 0.000 0.901 721 R CB 0.556 30.160 30.300 -1.160 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.964 124.016 121.223 -0.285 0.000 2.202 722 L HA 0.304 4.644 4.340 0.000 0.000 0.205 722 L C 0.719 177.494 176.870 -0.159 0.000 1.083 722 L CA 0.591 55.339 54.840 -0.153 0.000 0.790 722 L CB 0.060 42.072 42.059 -0.079 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.465 122.240 122.820 -0.192 0.000 2.564 723 A HA 0.619 4.939 4.320 0.000 0.000 0.291 723 A C -1.537 175.959 177.584 -0.147 0.000 1.102 723 A CA -0.437 51.517 52.037 -0.138 0.000 0.660 723 A CB 1.712 20.665 19.000 -0.079 0.000 1.283 723 A HN 0.008 nan 8.150 nan 0.000 0.430 724 E N 0.539 120.683 120.200 -0.092 0.000 2.291 724 E HA 0.399 4.749 4.350 0.000 0.000 0.276 724 E C -1.771 174.813 176.600 -0.026 0.000 0.896 724 E CA -0.606 55.755 56.400 -0.064 0.000 0.774 724 E CB 1.227 30.882 29.700 -0.075 0.000 1.227 724 E HN 0.595 nan 8.360 nan 0.000 0.413 725 N N 5.092 123.789 118.700 -0.003 0.000 2.476 725 N HA 0.292 5.032 4.740 0.000 0.000 0.257 725 N C -0.448 175.073 175.510 0.019 0.000 0.970 725 N CA -0.360 52.695 53.050 0.008 0.000 0.938 725 N CB 1.331 39.827 38.487 0.015 0.000 1.144 725 N HN 0.496 nan 8.380 nan 0.000 0.500 726 L N 0.877 122.110 121.223 0.017 0.000 2.456 726 L HA 0.080 4.420 4.340 0.000 0.000 0.272 726 L C 1.219 178.108 176.870 0.032 0.000 1.189 726 L CA 0.185 55.041 54.840 0.026 0.000 0.846 726 L CB 0.588 42.661 42.059 0.022 0.000 1.111 726 L HN 0.382 nan 8.230 nan 0.000 0.475 727 S N 1.729 117.453 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 0.000 0.000 0.282 727 S C 0.344 174.966 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.606 63.836 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.078 123.010 119.914 0.031 0.000 3.063 728 V HA 0.381 4.501 4.120 0.000 0.000 0.379 728 V C 0.530 176.641 176.094 0.028 0.000 1.310 728 V CA -0.291 62.025 62.300 0.028 0.000 1.333 728 V CB -1.042 30.794 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.427 114.146 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 0.000 0.000 0.286 729 T C -0.621 174.098 174.700 0.031 0.000 1.026 729 T CA -0.735 61.383 62.100 0.030 0.000 1.031 729 T CB 2.082 70.967 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.064 124.303 121.223 0.027 0.000 2.296 730 L HA 0.554 4.894 4.340 0.000 0.000 0.286 730 L C -1.888 174.996 176.870 0.023 0.000 1.023 730 L CA -1.944 52.910 54.840 0.025 0.000 0.812 730 L CB 0.518 42.590 42.059 0.021 0.000 1.223 730 L HN 0.577 nan 8.230 nan 0.000 0.421 731 P HA 0.332 nan 4.420 nan 0.000 0.271 731 P C -0.501 176.804 177.300 0.010 0.000 1.216 731 P CA -0.406 62.705 63.100 0.017 0.000 0.776 731 P CB 1.094 32.805 31.700 0.018 0.000 0.881 732 A N 2.502 125.324 122.820 0.003 0.000 2.313 732 A HA 0.563 4.883 4.320 0.000 0.000 0.261 732 A C 0.564 178.133 177.584 -0.025 0.000 1.090 732 A CA -0.173 51.863 52.037 -0.001 0.000 0.807 732 A CB -0.264 18.740 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.823 123.634 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 0.000 0.000 0.233 733 A C 0.837 178.322 177.584 -0.166 0.000 1.067 733 A CA 0.578 52.596 52.037 -0.032 0.000 0.763 733 A CB -0.522 18.503 19.000 0.042 0.000 1.007 733 A HN 1.670 nan 8.150 nan 0.000 0.506 734 S N 0.380 115.989 115.700 -0.151 0.000 2.638 734 S HA 0.571 5.041 4.470 0.000 0.000 0.298 734 S C 0.113 174.586 174.600 -0.212 0.000 1.111 734 S CA -0.718 57.336 58.200 -0.243 0.000 1.027 734 S CB 0.895 64.040 63.200 -0.092 0.000 1.064 734 S HN 0.662 nan 8.310 nan 0.000 0.525 735 H N -0.101 118.981 119.070 0.020 0.000 2.586 735 H HA 0.634 5.190 4.556 0.000 0.000 0.273 735 H C 0.492 175.829 175.328 0.014 0.000 0.997 735 H CA 0.463 56.520 56.048 0.015 0.000 1.177 735 H CB 0.063 29.833 29.762 0.013 0.000 1.471 735 H HN 0.802 nan 8.280 nan 0.000 0.538 736 A N 0.789 123.661 122.820 0.087 0.000 2.599 736 A HA 0.622 4.942 4.320 0.000 0.000 0.290 736 A C -0.909 176.701 177.584 0.043 0.000 1.101 736 A CA -0.754 51.322 52.037 0.066 0.000 0.674 736 A CB 1.329 20.371 19.000 0.069 0.000 1.277 736 A HN 0.192 nan 8.150 nan 0.000 0.419 737 I N -1.978 118.619 120.570 0.045 0.000 3.002 737 I HA 0.838 5.008 4.170 0.000 0.000 0.310 737 I C -2.867 173.291 176.117 0.069 0.000 1.087 737 I CA -2.756 58.569 61.300 0.040 0.000 1.017 737 I CB 2.108 40.122 38.000 0.024 0.000 1.226 737 I HN 0.346 nan 8.210 nan 0.000 0.443 738 P HA 0.086 nan 4.420 nan 0.000 0.271 738 P C -1.404 175.990 177.300 0.157 0.000 1.233 738 P CA 0.202 63.365 63.100 0.106 0.000 0.789 738 P CB 0.207 31.934 31.700 0.045 0.000 0.951 739 H N 1.462 120.564 119.070 0.053 0.000 2.539 739 H HA 0.388 4.944 4.556 0.000 0.000 0.332 739 H C -0.987 174.370 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.945 30.732 29.762 0.042 0.000 1.446 739 H HN 0.206 nan 8.280 nan 0.000 0.496 740 L N 4.242 125.340 121.223 -0.208 0.000 2.421 740 L HA 0.370 4.710 4.340 0.000 0.000 0.263 740 L C -0.600 176.079 176.870 -0.318 0.000 1.122 740 L CA 0.278 54.981 54.840 -0.228 0.000 0.804 740 L CB 1.655 43.644 42.059 -0.117 0.000 1.150 740 L HN 0.704 nan 8.230 nan 0.000 0.457 741 T N 2.288 116.764 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 0.000 0.000 0.329 741 T C -0.943 173.813 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.907 69.723 68.868 -0.087 0.000 1.090 741 T HN 0.714 nan 8.240 nan 0.000 0.460 742 T N 2.887 117.516 114.554 0.125 0.000 2.799 742 T HA 0.653 5.003 4.350 0.000 0.000 0.286 742 T C 0.292 175.051 174.700 0.098 0.000 0.973 742 T CA -0.392 61.835 62.100 0.211 0.000 1.035 742 T CB 1.411 70.422 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.782 117.515 115.700 0.055 0.000 2.837 743 S HA 0.431 4.901 4.470 0.000 0.000 0.314 743 S C 0.916 175.493 174.600 -0.038 0.000 1.098 743 S CA -0.614 57.589 58.200 0.005 0.000 0.903 743 S CB 1.577 64.777 63.200 0.000 0.000 1.310 743 S HN 0.728 nan 8.310 nan 0.000 0.581 744 E N -0.612 119.560 120.200 -0.047 0.000 2.216 744 E HA 0.101 4.451 4.350 0.000 0.000 0.192 744 E C 1.532 178.062 176.600 -0.116 0.000 0.973 744 E CA 0.372 56.732 56.400 -0.068 0.000 0.851 744 E CB 0.018 29.694 29.700 -0.039 0.000 0.804 744 E HN 0.530 nan 8.360 nan 0.000 0.477 745 M N 1.007 120.548 119.600 -0.097 0.000 2.476 745 M HA 0.108 4.588 4.480 0.000 0.000 0.262 745 M C -0.174 176.044 176.300 -0.136 0.000 1.111 745 M CA 0.803 56.048 55.300 -0.093 0.000 1.127 745 M CB -0.521 32.056 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.713 118.585 120.400 -0.171 0.000 2.692 746 D HA 0.472 5.112 4.640 0.000 0.000 0.290 746 D C -1.062 175.130 176.300 -0.181 0.000 1.281 746 D CA -0.681 53.208 54.000 -0.185 0.000 0.804 746 D CB 0.701 41.503 40.800 0.003 0.000 1.331 746 D HN -0.057 nan 8.370 nan 0.000 0.432 750 E N 4.462 124.795 120.200 0.221 0.000 2.317 750 E HA 0.811 5.161 4.350 0.000 0.000 0.270 750 E C -1.876 174.893 176.600 0.281 0.000 0.885 750 E CA -0.728 55.814 56.400 0.238 0.000 0.760 750 E CB 3.258 33.027 29.700 0.114 0.000 1.227 750 E HN 0.531 nan 8.360 nan 0.000 0.434 751 L N 4.469 125.854 121.223 0.270 0.000 2.673 751 L HA 0.513 4.853 4.340 0.000 0.000 0.255 751 L C -0.103 176.848 176.870 0.135 0.000 1.015 751 L CA 0.741 55.719 54.840 0.231 0.000 0.930 751 L CB 0.794 43.039 42.059 0.311 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.522 112.370 108.800 0.080 0.000 2.509 752 G HA2 -0.368 3.592 3.960 0.000 0.000 0.256 752 G HA3 -0.368 3.592 3.960 0.000 0.000 0.256 752 G C 0.555 175.452 174.900 -0.004 0.000 1.152 752 G CA 0.403 45.524 45.100 0.035 0.000 0.951 752 G HN 0.875 nan 8.290 nan 0.000 0.559 753 N N 1.191 119.873 118.700 -0.030 0.000 2.331 753 N HA 0.007 4.747 4.740 0.000 0.000 0.180 753 N C 0.839 176.285 175.510 -0.108 0.000 1.019 753 N CA 1.412 54.425 53.050 -0.062 0.000 0.881 753 N CB -0.207 38.246 38.487 -0.058 0.000 0.972 753 N HN 0.775 nan 8.380 nan 0.000 0.435 754 K N 0.598 120.907 120.400 -0.151 0.000 2.350 754 K HA 0.269 4.589 4.320 0.000 0.000 0.279 754 K C -0.112 176.265 176.600 -0.371 0.000 1.027 754 K CA 0.002 56.067 56.287 -0.370 0.000 0.969 754 K CB 1.033 33.235 32.500 -0.498 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.859 122.064 120.500 -0.491 0.000 2.698 755 R HA 0.400 4.740 4.340 0.000 0.000 0.275 755 R C -1.558 174.648 176.300 -0.156 0.000 1.001 755 R CA -0.667 55.337 56.100 -0.159 0.000 0.896 755 R CB 1.484 31.748 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.842 124.252 121.300 0.184 0.000 2.883 756 W HA 0.328 4.988 4.660 0.000 0.000 0.335 756 W C -0.754 175.852 176.519 0.146 0.000 1.083 756 W CA -0.530 56.880 57.345 0.108 0.000 1.233 756 W CB 2.236 31.728 29.460 0.053 0.000 1.412 756 W HN 0.420 nan 8.180 nan 0.000 0.490 757 Q N 2.599 122.544 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 0.000 0.000 0.268 757 Q C -1.995 173.948 176.000 -0.094 0.000 1.031 757 Q CA -0.516 55.414 55.803 0.212 0.000 0.804 757 Q CB 1.845 30.777 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.763 122.802 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 0.000 0.000 0.348 758 F C 0.610 176.425 175.800 0.025 0.000 1.124 758 F CA -0.788 57.265 58.000 0.089 0.000 1.008 758 F CB 1.374 40.454 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.472 122.260 118.700 0.147 0.000 2.497 759 N HA 0.077 4.817 4.740 0.000 0.000 0.268 759 N C 0.924 176.427 175.510 -0.012 0.000 1.171 759 N CA 0.026 53.109 53.050 0.056 0.000 0.948 759 N CB 0.792 39.322 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.999 122.413 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 0.000 0.000 0.203 760 R C 1.221 177.441 176.300 -0.133 0.000 1.017 760 R CA 0.978 56.932 56.100 -0.243 0.000 1.010 760 R CB 0.311 30.355 30.300 -0.427 0.000 0.900 760 R HN 0.701 nan 8.270 nan 0.000 0.469 761 Q N -0.827 118.930 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 0.000 0.000 0.210 761 Q C 1.830 177.814 176.000 -0.026 0.000 0.913 761 Q CA 1.148 56.924 55.803 -0.046 0.000 0.911 761 Q CB 0.483 29.207 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.298 115.406 115.700 0.007 0.000 2.470 762 S HA 0.214 4.684 4.470 0.000 0.000 0.222 762 S C 1.594 176.100 174.600 -0.157 0.000 1.024 762 S CA 0.542 58.763 58.200 0.035 0.000 0.931 762 S CB 0.317 63.649 63.200 0.220 0.000 0.791 762 S HN 0.489 nan 8.310 nan 0.000 0.513 763 G N 0.563 109.297 108.800 -0.110 0.000 2.143 763 G HA2 -0.228 3.732 3.960 0.000 0.000 0.248 763 G HA3 -0.228 3.732 3.960 0.000 0.000 0.248 763 G C -0.129 174.685 174.900 -0.143 0.000 0.991 763 G CA 0.326 45.347 45.100 -0.131 0.000 0.689 763 G HN 0.539 nan 8.290 nan 0.000 0.522 764 F N -1.321 118.814 119.950 0.309 0.000 2.538 764 F HA 0.643 5.170 4.527 0.000 0.000 0.325 764 F C 0.499 176.327 175.800 0.048 0.000 1.066 764 F CA -1.465 56.679 58.000 0.241 0.000 0.946 764 F CB 1.549 40.640 39.000 0.152 0.000 1.199 764 F HN 0.028 nan 8.300 nan 0.000 0.473 765 L N 1.800 123.082 121.223 0.099 0.000 2.530 765 L HA 0.184 4.524 4.340 0.000 0.000 0.273 765 L C 0.600 177.367 176.870 -0.172 0.000 1.141 765 L CA 0.829 55.358 54.840 -0.518 0.000 0.905 765 L CB 0.415 42.170 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.472 118.068 115.700 -0.174 0.000 2.470 766 S HA 0.142 4.612 4.470 0.000 0.000 0.222 766 S C 0.275 174.771 174.600 -0.172 0.000 1.024 766 S CA 0.322 58.472 58.200 -0.084 0.000 0.931 766 S CB 0.006 63.194 63.200 -0.019 0.000 0.791 766 S HN 0.757 nan 8.310 nan 0.000 0.513 767 Q N -0.126 119.520 119.800 -0.258 0.000 2.702 767 Q HA 0.602 4.942 4.340 0.000 0.000 0.289 767 Q C -1.625 174.059 176.000 -0.528 0.000 0.923 767 Q CA -0.559 54.971 55.803 -0.456 0.000 0.787 767 Q CB 1.253 29.615 28.738 -0.627 0.000 1.476 767 Q HN 0.239 nan 8.270 nan 0.000 0.402 768 M N 0.864 120.009 119.600 -0.758 0.000 2.413 768 M HA 0.746 5.226 4.480 0.000 0.000 0.287 768 M C -2.009 173.880 176.300 -0.686 0.000 1.186 768 M CA -0.274 54.670 55.300 -0.593 0.000 0.927 768 M CB 1.836 34.134 32.600 -0.504 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.946 125.023 121.300 -0.371 0.000 2.761 769 W HA 0.673 5.333 4.660 0.000 0.000 0.340 769 W C -1.399 174.915 176.519 -0.341 0.000 1.072 769 W CA -0.879 56.297 57.345 -0.282 0.000 1.215 769 W CB 2.006 31.331 29.460 -0.224 0.000 1.420 769 W HN 0.577 nan 8.180 nan 0.000 0.519 770 I N 2.769 123.343 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 0.000 0.000 0.281 770 I C 0.728 176.839 176.117 -0.011 0.000 1.027 770 I CA 0.136 61.391 61.300 -0.074 0.000 1.111 770 I CB 1.082 39.010 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.840 114.628 108.800 -0.019 0.000 2.523 771 G HA2 -0.287 3.673 3.960 0.000 0.000 0.271 771 G HA3 -0.287 3.673 3.960 0.000 0.000 0.271 771 G C 0.247 175.168 174.900 0.034 0.000 1.146 771 G CA 0.456 45.549 45.100 -0.012 0.000 0.961 771 G HN 0.715 nan 8.290 nan 0.000 0.549 772 D N 0.777 121.214 120.400 0.062 0.000 2.431 772 D HA 0.234 4.874 4.640 0.000 0.000 0.213 772 D C 0.621 177.061 176.300 0.232 0.000 1.130 772 D CA 0.131 54.203 54.000 0.119 0.000 0.834 772 D CB 0.315 41.136 40.800 0.036 0.000 0.985 772 D HN 0.504 nan 8.370 nan 0.000 0.504 773 K N 1.162 121.659 120.400 0.162 0.000 2.248 773 K HA 0.272 4.592 4.320 0.000 0.000 0.281 773 K C -0.027 176.544 176.600 -0.049 0.000 1.054 773 K CA -0.444 55.878 56.287 0.057 0.000 0.903 773 K CB 1.621 34.116 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.201 122.490 120.400 -0.185 0.000 2.326 774 K HA 0.029 4.349 4.320 0.000 0.000 0.275 774 K C 0.753 177.162 176.600 -0.318 0.000 1.018 774 K CA -0.192 55.791 56.287 -0.506 0.000 0.962 774 K CB 0.802 33.043 32.500 -0.432 0.000 0.953 774 K HN 0.443 nan 8.250 nan 0.000 0.475 775 Q N 1.367 120.950 119.800 -0.361 0.000 2.350 775 Q HA 0.193 4.533 4.340 0.000 0.000 0.225 775 Q C 0.046 175.962 176.000 -0.140 0.000 0.878 775 Q CA 0.434 56.143 55.803 -0.158 0.000 0.935 775 Q CB 0.520 29.231 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.549 121.629 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 0.000 0.000 0.269 776 L C 0.821 177.566 176.870 -0.209 0.000 1.005 776 L CA -0.469 54.259 54.840 -0.188 0.000 0.819 776 L CB 1.710 43.662 42.059 -0.178 0.000 1.311 776 L HN -0.115 nan 8.230 nan 0.000 0.423 777 L N -0.254 120.840 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.615 4.340 0.000 0.000 0.222 777 L C 0.325 177.082 176.870 -0.188 0.000 1.096 777 L CA 0.574 55.292 54.840 -0.204 0.000 0.857 777 L CB 0.261 42.187 42.059 -0.223 0.000 1.026 777 L HN 0.595 nan 8.230 nan 0.000 0.469 778 T N -0.002 114.426 114.554 -0.210 0.000 2.916 778 T HA 0.415 4.765 4.350 0.000 0.000 0.305 778 T C -2.652 171.979 174.700 -0.114 0.000 1.119 778 T CA -1.055 60.958 62.100 -0.145 0.000 1.008 778 T CB 2.710 71.454 68.868 -0.206 0.000 1.129 778 T HN -0.263 nan 8.240 nan 0.000 0.480 779 P HA 0.290 nan 4.420 nan 0.000 0.272 779 P C -0.799 176.459 177.300 -0.071 0.000 1.230 779 P CA -0.750 62.319 63.100 -0.051 0.000 0.788 779 P CB 0.436 32.136 31.700 -0.000 0.000 0.949 780 L N 3.342 124.558 121.223 -0.011 0.000 2.313 780 L HA 0.305 4.645 4.340 0.000 0.000 0.282 780 L C 0.440 177.218 176.870 -0.152 0.000 1.092 780 L CA 0.498 55.348 54.840 0.016 0.000 0.831 780 L CB -0.522 41.659 42.059 0.204 0.000 1.159 780 L HN 0.415 nan 8.230 nan 0.000 0.442 781 R N 2.186 122.539 120.500 -0.245 0.000 2.764 781 R HA 0.520 4.860 4.340 0.000 0.000 0.270 781 R C -1.193 174.957 176.300 -0.251 0.000 1.014 781 R CA -1.050 54.787 56.100 -0.439 0.000 0.904 781 R CB 0.527 30.268 30.300 -0.932 0.000 1.236 781 R HN 0.414 nan 8.270 nan 0.000 0.466 782 D N 1.053 121.340 120.400 -0.189 0.000 2.399 782 D HA 0.084 4.724 4.640 0.000 0.000 0.241 782 D C -0.462 175.442 176.300 -0.661 0.000 1.133 782 D CA 0.463 54.215 54.000 -0.413 0.000 0.890 782 D CB 0.688 41.222 40.800 -0.442 0.000 1.201 782 D HN 0.313 nan 8.370 nan 0.000 0.432 783 Q N 1.238 120.458 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 0.000 0.000 0.271 783 Q C -1.194 174.062 176.000 -1.242 0.000 1.046 783 Q CA -0.600 54.687 55.803 -0.860 0.000 0.798 783 Q CB 0.882 29.332 28.738 -0.480 0.000 1.286 783 Q HN 0.559 nan 8.270 nan 0.000 0.435 784 F N 0.637 120.225 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 0.000 0.000 0.315 784 F C 0.574 175.970 175.800 -0.672 0.000 1.102 784 F CA -0.217 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.555 39.859 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.887 113.391 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 0.000 0.000 0.290 785 T C -0.599 173.862 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.774 62.100 -0.584 0.000 1.012 785 T CB 2.726 71.197 68.868 -0.661 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N -0.190 120.113 120.500 -0.328 0.000 2.771 786 R HA 0.757 5.097 4.340 0.000 0.000 0.274 786 R C -0.907 175.449 176.300 0.093 0.000 0.987 786 R CA -1.185 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.588 31.835 30.300 -0.088 0.000 1.213 786 R HN 0.832 nan 8.270 nan 0.000 0.468 787 A N 3.833 126.692 122.820 0.065 0.000 2.476 787 A HA 0.292 4.612 4.320 0.000 0.000 0.275 787 A C -1.982 175.664 177.584 0.105 0.000 1.133 787 A CA -1.371 50.706 52.037 0.067 0.000 0.797 787 A CB -0.484 18.500 19.000 -0.026 0.000 1.081 787 A HN 0.567 nan 8.150 nan 0.000 0.510 788 P HA 0.035 nan 4.420 nan 0.000 0.263 788 P C -0.269 177.129 177.300 0.164 0.000 1.175 788 P CA 0.556 63.805 63.100 0.248 0.000 0.761 788 P CB 0.315 32.194 31.700 0.298 0.000 0.794 789 L N 2.203 123.495 121.223 0.115 0.000 2.454 789 L HA 0.236 4.576 4.340 0.000 0.000 0.256 789 L C 1.838 178.719 176.870 0.019 0.000 1.136 789 L CA -0.627 54.221 54.840 0.014 0.000 0.804 789 L CB 0.028 42.027 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.328 120.682 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.478 4.640 0.000 0.000 0.196 790 D C 1.596 177.825 176.300 -0.118 0.000 0.992 790 D CA 1.446 55.333 54.000 -0.188 0.000 0.833 790 D CB 0.033 40.639 40.800 -0.323 0.000 0.954 790 D HN 0.473 nan 8.370 nan 0.000 0.455 791 N N 1.008 119.654 118.700 -0.089 0.000 2.309 791 N HA -0.107 4.633 4.740 0.000 0.000 0.182 791 N C 1.092 176.618 175.510 0.026 0.000 1.018 791 N CA 0.678 53.705 53.050 -0.038 0.000 0.876 791 N CB -0.151 38.300 38.487 -0.060 0.000 0.972 791 N HN 0.242 nan 8.380 nan 0.000 0.434 792 D N 0.137 120.564 120.400 0.044 0.000 2.277 792 D HA 0.062 4.702 4.640 0.000 0.000 0.208 792 D C 1.875 178.228 176.300 0.089 0.000 0.962 792 D CA 0.349 54.410 54.000 0.102 0.000 0.865 792 D CB 0.275 41.193 40.800 0.196 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.228 120.380 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 0.000 0.000 0.255 793 I C 1.852 178.002 176.117 0.055 0.000 1.119 793 I CA 0.539 61.867 61.300 0.048 0.000 1.448 793 I CB -0.139 37.868 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.632 110.479 108.800 0.079 0.000 2.596 794 G HA2 -0.360 3.600 3.960 0.000 0.000 0.304 794 G HA3 -0.360 3.600 3.960 0.000 0.000 0.304 794 G C 0.685 175.758 174.900 0.289 0.000 1.189 794 G CA 0.947 46.157 45.100 0.184 0.000 0.986 794 G HN 0.573 nan 8.290 nan 0.000 0.548 795 V N -2.177 117.848 119.914 0.185 0.000 3.271 795 V HA 0.688 4.808 4.120 0.000 0.000 0.327 795 V C 0.979 177.095 176.094 0.037 0.000 1.389 795 V CA 1.038 63.397 62.300 0.099 0.000 1.156 795 V CB 0.339 32.121 31.823 -0.069 0.000 1.103 795 V HN 1.281 nan 8.190 nan 0.000 0.453 796 S N 1.348 117.074 115.700 0.043 0.000 2.498 796 S HA 0.333 4.803 4.470 0.000 0.000 0.281 796 S C -0.086 174.528 174.600 0.024 0.000 1.265 796 S CA 0.064 58.273 58.200 0.016 0.000 1.071 796 S CB 0.360 63.566 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.450 122.657 120.200 0.012 0.000 2.235 797 E HA 0.661 5.011 4.350 0.000 0.000 0.265 797 E C 0.736 177.348 176.600 0.020 0.000 0.940 797 E CA -0.292 56.120 56.400 0.021 0.000 0.819 797 E CB 1.334 31.041 29.700 0.011 0.000 1.206 797 E HN 0.639 nan 8.360 nan 0.000 0.409 798 A N 0.985 123.823 122.820 0.030 0.000 1.972 798 A HA -0.185 4.135 4.320 0.000 0.000 0.219 798 A C 2.056 179.652 177.584 0.020 0.000 1.169 798 A CA 2.331 54.386 52.037 0.029 0.000 0.635 798 A CB -0.924 18.099 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.572 111.992 114.554 0.017 0.000 2.851 799 T HA -0.007 4.343 4.350 0.000 0.000 0.262 799 T C 1.147 175.846 174.700 -0.001 0.000 1.043 799 T CA 0.919 63.025 62.100 0.010 0.000 1.140 799 T CB -0.102 68.771 68.868 0.009 0.000 0.872 799 T HN 0.311 nan 8.240 nan 0.000 0.446 800 R N 1.134 121.630 120.500 -0.006 0.000 2.402 800 R HA 0.442 4.782 4.340 0.000 0.000 0.290 800 R C -0.756 175.533 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.577 56.100 -0.018 0.000 1.283 800 R CB 0.174 30.455 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.234 122.796 120.570 -0.013 0.000 2.648 801 I HA -0.067 4.103 4.170 0.000 0.000 0.284 801 I C 0.197 176.298 176.117 -0.026 0.000 1.153 801 I CA 0.546 61.838 61.300 -0.013 0.000 1.426 801 I CB 0.729 38.724 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.406 129.789 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 0.000 0.000 0.234 802 D C -1.677 174.584 176.300 -0.065 0.000 1.088 802 D CA -2.305 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.349 42.128 40.800 -0.036 0.000 1.037 802 D HN 0.154 nan 8.370 nan 0.000 0.520 803 P HA -0.079 nan 4.420 nan 0.000 0.226 803 P C 0.488 177.695 177.300 -0.156 0.000 1.146 803 P CA 0.697 63.739 63.100 -0.097 0.000 0.773 803 P CB 0.376 32.028 31.700 -0.080 0.000 0.772 804 N N -0.457 118.144 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 0.000 0.000 0.181 804 N C 0.803 176.113 175.510 -0.333 0.000 1.082 804 N CA 0.074 52.974 53.050 -0.249 0.000 0.885 804 N CB 0.021 38.388 38.487 -0.201 0.000 0.977 804 N HN 0.083 nan 8.380 nan 0.000 0.462 805 A N 0.354 123.040 122.820 -0.223 0.000 2.498 805 A HA 0.028 4.348 4.320 0.000 0.000 0.239 805 A C 0.776 178.164 177.584 -0.326 0.000 1.068 805 A CA -0.326 51.590 52.037 -0.202 0.000 0.766 805 A CB 0.003 18.956 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.870 122.922 121.300 -0.414 0.000 2.302 806 W HA -0.219 4.441 4.660 0.000 0.000 0.320 806 W C 2.248 178.188 176.519 -0.965 0.000 1.241 806 W CA 1.943 58.775 57.345 -0.854 0.000 1.264 806 W CB -0.422 28.420 29.460 -1.030 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.770 120.555 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 0.000 0.000 0.249 807 V C 2.210 178.379 176.094 0.126 0.000 1.059 807 V CA 2.174 64.565 62.300 0.152 0.000 1.051 807 V CB -0.409 31.548 31.823 0.223 0.000 0.658 807 V HN 0.085 nan 8.190 nan 0.000 0.455 808 E N 0.031 120.219 120.200 -0.020 0.000 2.106 808 E HA -0.159 4.191 4.350 0.000 0.000 0.192 808 E C 2.362 178.933 176.600 -0.047 0.000 0.984 808 E CA 1.144 57.532 56.400 -0.019 0.000 0.806 808 E CB -0.347 29.319 29.700 -0.057 0.000 0.750 808 E HN 0.624 nan 8.360 nan 0.000 0.458 809 R N -0.388 120.005 120.500 -0.179 0.000 2.090 809 R HA -0.085 4.255 4.340 0.000 0.000 0.228 809 R C 2.226 178.480 176.300 -0.077 0.000 1.110 809 R CA 0.841 56.821 56.100 -0.202 0.000 0.973 809 R CB -0.213 29.843 30.300 -0.406 0.000 0.869 809 R HN 0.264 nan 8.270 nan 0.000 0.440 810 W N 1.866 123.140 121.300 -0.044 0.000 2.381 810 W HA -0.004 4.656 4.660 0.000 0.000 0.301 810 W C 2.007 178.492 176.519 -0.055 0.000 1.205 810 W CA 0.366 57.581 57.345 -0.216 0.000 1.285 810 W CB -0.602 28.841 29.460 -0.028 0.000 1.133 810 W HN 0.083 nan 8.180 nan 0.000 0.521 811 K N 0.153 120.800 120.400 0.412 0.000 2.009 811 K HA -0.139 4.181 4.320 0.000 0.000 0.210 811 K C 2.189 178.880 176.600 0.151 0.000 1.049 811 K CA 1.903 58.390 56.287 0.334 0.000 0.929 811 K CB -0.585 32.045 32.500 0.217 0.000 0.714 811 K HN -0.020 nan 8.250 nan 0.000 0.440 812 A N 0.954 123.830 122.820 0.093 0.000 2.070 812 A HA -0.076 4.244 4.320 0.000 0.000 0.220 812 A C 2.113 179.724 177.584 0.046 0.000 1.159 812 A CA 1.737 53.809 52.037 0.058 0.000 0.656 812 A CB -0.407 18.609 19.000 0.027 0.000 0.800 812 A HN 0.368 nan 8.150 nan 0.000 0.453 813 A N -1.932 120.894 122.820 0.011 0.000 2.218 813 A HA 0.417 4.737 4.320 0.000 0.000 0.209 813 A C 1.753 179.318 177.584 -0.032 0.000 1.168 813 A CA 1.171 53.227 52.037 0.031 0.000 0.804 813 A CB -0.733 18.260 19.000 -0.012 0.000 0.834 813 A HN 1.839 nan 8.150 nan 0.000 0.482 814 G N -1.411 107.284 108.800 -0.175 0.000 2.132 814 G HA2 -0.287 3.673 3.960 0.000 0.000 0.234 814 G HA3 -0.287 3.673 3.960 0.000 0.000 0.234 814 G C 0.543 175.415 174.900 -0.047 0.000 0.989 814 G CA 0.617 45.395 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.507 117.535 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 0.000 0.000 0.299 815 H C 2.174 177.464 175.328 -0.064 0.000 1.099 815 H CA 1.575 57.594 56.048 -0.047 0.000 1.315 815 H CB 0.104 29.762 29.762 -0.174 0.000 1.380 815 H HN 0.621 nan 8.280 nan 0.000 0.513 816 Y N 0.790 121.201 120.300 0.184 0.000 2.516 816 Y HA -0.098 4.452 4.550 0.000 0.000 0.291 816 Y C 1.934 177.903 175.900 0.115 0.000 1.131 816 Y CA 0.654 58.827 58.100 0.120 0.000 1.281 816 Y CB 0.388 38.907 38.460 0.099 0.000 1.013 816 Y HN 0.350 nan 8.280 nan 0.000 0.554 817 Q N -0.490 119.447 119.800 0.228 0.000 2.110 817 Q HA 0.467 4.807 4.340 0.000 0.000 0.232 817 Q C -0.050 176.105 176.000 0.258 0.000 0.810 817 Q CA -0.344 55.589 55.803 0.217 0.000 1.083 817 Q CB 0.474 29.328 28.738 0.193 0.000 1.193 817 Q HN 0.130 nan 8.270 nan 0.000 0.471 818 A N 1.245 124.234 122.820 0.281 0.000 2.386 818 A HA 0.312 4.632 4.320 0.000 0.000 0.248 818 A C -0.120 177.726 177.584 0.436 0.000 1.082 818 A CA -0.181 52.079 52.037 0.373 0.000 0.789 818 A CB 0.481 19.726 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.781 121.183 120.200 0.336 0.000 2.134 819 E HA 0.469 4.819 4.350 0.000 0.000 0.278 819 E C -0.136 176.440 176.600 -0.040 0.000 0.959 819 E CA -0.208 56.303 56.400 0.185 0.000 0.783 819 E CB 1.696 31.474 29.700 0.131 0.000 1.095 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.463 125.145 122.820 -0.230 0.000 2.401 820 A HA 0.578 4.898 4.320 0.000 0.000 0.259 820 A C -0.173 177.250 177.584 -0.268 0.000 1.103 820 A CA -0.128 51.499 52.037 -0.685 0.000 0.789 820 A CB 0.479 19.097 19.000 -0.636 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.316 124.976 122.820 -0.266 0.000 2.343 821 A HA 0.579 4.899 4.320 0.000 0.000 0.308 821 A C -0.641 176.870 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.732 19.686 19.000 -0.077 0.000 1.203 821 A HN 1.329 nan 8.150 nan 0.000 0.452 822 L N 3.188 124.329 121.223 -0.137 0.000 2.410 822 L HA 0.330 4.670 4.340 0.000 0.000 0.273 822 L C 0.370 177.113 176.870 -0.212 0.000 1.144 822 L CA 0.322 54.982 54.840 -0.300 0.000 0.863 822 L CB 0.270 42.147 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.638 124.720 121.223 -0.235 0.000 2.470 823 L HA 0.289 4.629 4.340 0.000 0.000 0.219 823 L C 0.290 177.093 176.870 -0.113 0.000 1.071 823 L CA 0.092 54.859 54.840 -0.122 0.000 0.850 823 L CB 0.073 42.092 42.059 -0.067 0.000 1.040 823 L HN 0.793 nan 8.230 nan 0.000 0.475 824 Q N -0.370 119.332 119.800 -0.163 0.000 2.468 824 Q HA 0.260 4.600 4.340 0.000 0.000 0.263 824 Q C -1.890 174.052 176.000 -0.097 0.000 0.979 824 Q CA -0.647 55.098 55.803 -0.097 0.000 0.932 824 Q CB 2.405 31.115 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.541 122.825 119.300 -0.027 0.000 2.919 825 C HA 0.728 5.188 4.460 0.000 0.000 0.337 825 C C -0.672 174.406 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.360 28.128 27.740 0.046 0.000 1.843 825 C HN 0.807 nan 8.230 nan 0.000 0.493 826 T N 2.541 117.125 114.554 0.050 0.000 2.912 826 T HA 0.886 5.236 4.350 0.000 0.000 0.288 826 T C -0.353 174.180 174.700 -0.279 0.000 1.030 826 T CA -0.143 61.931 62.100 -0.044 0.000 1.020 826 T CB 1.907 70.746 68.868 -0.047 0.000 1.056 826 T HN 1.703 nan 8.240 nan 0.000 0.480 827 A N 2.190 124.725 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 0.000 0.000 0.306 827 A C -1.188 176.173 177.584 -0.372 0.000 1.050 827 A CA -0.739 50.917 52.037 -0.635 0.000 0.724 827 A CB 1.414 19.643 19.000 -1.286 0.000 1.248 827 A HN 0.889 nan 8.150 nan 0.000 0.424 828 D N 0.694 120.928 120.400 -0.277 0.000 2.661 828 D HA 0.524 5.164 4.640 0.000 0.000 0.228 828 D C -1.149 175.067 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.888 54.000 -0.171 0.000 0.844 828 D CB 2.473 43.202 40.800 -0.119 0.000 1.555 828 D HN 0.436 nan 8.370 nan 0.000 0.453 829 T N 1.435 115.932 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 0.000 0.000 0.288 829 T C 0.172 174.844 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.994 69.838 68.868 -0.040 0.000 0.933 829 T HN 0.047 nan 8.240 nan 0.000 0.447 830 L N 1.675 122.872 121.223 -0.043 0.000 2.440 830 L HA 0.704 5.044 4.340 0.000 0.000 0.262 830 L C 1.733 178.591 176.870 -0.019 0.000 1.072 830 L CA -0.410 54.412 54.840 -0.031 0.000 0.798 830 L CB 0.153 42.192 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.663 122.150 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 0.000 0.000 0.217 831 A C 0.997 178.579 177.584 -0.003 0.000 1.162 831 A CA 1.477 53.511 52.037 -0.005 0.000 0.662 831 A CB -0.635 18.364 19.000 -0.002 0.000 0.812 831 A HN 0.853 nan 8.150 nan 0.000 0.450 832 D N -1.742 118.653 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 0.000 0.000 0.210 832 D C 0.403 176.693 176.300 -0.016 0.000 1.102 832 D CA 0.754 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.591 41.388 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.357 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 0.000 0.000 0.301 833 A C -1.760 175.788 177.584 -0.060 0.000 1.126 833 A CA -0.766 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.677 19.647 19.000 -0.050 0.000 1.331 833 A HN -0.048 nan 8.150 nan 0.000 0.482 834 V N 0.328 120.187 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 0.000 0.000 0.299 834 V C -0.839 175.171 176.094 -0.140 0.000 1.040 834 V CA -0.430 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.339 33.078 31.823 -0.139 0.000 0.992 834 V HN 0.844 nan 8.190 nan 0.000 0.449 835 L N 5.930 127.061 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 0.000 0.000 0.275 835 L C -0.912 175.835 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.748 54.840 -0.139 0.000 0.828 835 L CB 1.397 43.399 42.059 -0.096 0.000 1.249 835 L HN 0.418 nan 8.230 nan 0.000 0.409 836 I N 3.619 124.072 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 0.000 0.000 0.294 836 I C -0.163 175.936 176.117 -0.031 0.000 1.005 836 I CA -0.372 60.771 61.300 -0.261 0.000 1.113 836 I CB 1.840 39.484 38.000 -0.594 0.000 1.289 836 I HN 0.526 nan 8.210 nan 0.000 0.436 837 T N 4.186 118.716 114.554 -0.039 0.000 2.881 837 T HA 0.635 4.985 4.350 0.000 0.000 0.290 837 T C -0.080 174.660 174.700 0.066 0.000 1.000 837 T CA -0.487 61.637 62.100 0.041 0.000 0.978 837 T CB 1.874 70.738 68.868 -0.006 0.000 0.997 837 T HN 0.825 nan 8.240 nan 0.000 0.443 838 T N -0.226 114.407 114.554 0.133 0.000 2.906 838 T HA 0.899 5.249 4.350 0.000 0.000 0.295 838 T C -1.159 173.591 174.700 0.082 0.000 1.075 838 T CA -1.058 61.095 62.100 0.089 0.000 1.005 838 T CB 2.052 71.045 68.868 0.209 0.000 1.136 838 T HN 0.770 nan 8.240 nan 0.000 0.498 839 A N 1.479 124.265 122.820 -0.056 0.000 2.459 839 A HA 0.757 5.077 4.320 0.000 0.000 0.296 839 A C -1.455 176.041 177.584 -0.148 0.000 1.039 839 A CA -0.779 51.273 52.037 0.025 0.000 0.698 839 A CB 0.840 19.857 19.000 0.029 0.000 1.261 839 A HN 1.000 nan 8.150 nan 0.000 0.405 840 H N 0.107 119.234 119.070 0.095 0.000 2.821 840 H HA 0.816 5.372 4.556 0.000 0.000 0.373 840 H C -0.069 175.293 175.328 0.056 0.000 1.165 840 H CA 0.203 56.229 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.219 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.570 124.418 122.820 0.048 0.000 2.371 841 A HA 0.447 4.767 4.320 0.000 0.000 0.311 841 A C -1.404 176.216 177.584 0.061 0.000 1.068 841 A CA -0.719 51.420 52.037 0.169 0.000 0.744 841 A CB 1.221 20.283 19.000 0.103 0.000 1.239 841 A HN 0.589 nan 8.150 nan 0.000 0.435 842 W N 2.046 123.455 121.300 0.181 0.000 2.391 842 W HA 0.431 5.091 4.660 0.000 0.000 0.311 842 W C -0.349 176.188 176.519 0.029 0.000 1.087 842 W CA -0.171 57.271 57.345 0.163 0.000 1.209 842 W CB 1.654 31.273 29.460 0.266 0.000 1.273 842 W HN 0.776 nan 8.180 nan 0.000 0.482 843 Q N 1.659 121.595 119.800 0.226 0.000 2.458 843 Q HA 0.463 4.803 4.340 0.000 0.000 0.282 843 Q C -0.946 175.190 176.000 0.228 0.000 1.106 843 Q CA -0.944 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.548 32.338 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.069 120.170 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 0.000 0.000 0.331 844 H C -1.010 174.348 175.328 0.049 0.000 1.002 844 H CA -0.063 56.026 56.048 0.068 0.000 1.473 844 H CB 1.028 30.841 29.762 0.085 0.000 1.830 844 H HN 0.887 nan 8.280 nan 0.000 0.485 845 Q N 3.269 122.820 119.800 -0.414 0.000 2.453 845 Q HA -0.259 4.081 4.340 0.000 0.000 0.294 845 Q C 0.972 176.902 176.000 -0.116 0.000 1.295 845 Q CA 1.253 56.869 55.803 -0.311 0.000 0.853 845 Q CB -1.313 27.163 28.738 -0.436 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.394 108.373 108.800 -0.055 0.000 2.268 846 G HA2 -0.359 3.601 3.960 0.000 0.000 0.240 846 G HA3 -0.359 3.601 3.960 0.000 0.000 0.240 846 G C 0.073 174.975 174.900 0.003 0.000 1.010 846 G CA 0.367 45.456 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.456 121.864 120.400 0.014 0.000 2.156 847 K HA 0.602 4.922 4.320 0.000 0.000 0.271 847 K C -0.286 176.326 176.600 0.019 0.000 0.995 847 K CA -0.058 56.242 56.287 0.022 0.000 0.890 847 K CB 0.795 33.313 32.500 0.032 0.000 1.073 847 K HN 0.015 nan 8.250 nan 0.000 0.454 848 T N 5.829 120.384 114.554 0.003 0.000 2.727 848 T HA 0.197 4.547 4.350 0.000 0.000 0.298 848 T C 1.173 175.813 174.700 -0.100 0.000 0.942 848 T CA -0.413 61.685 62.100 -0.004 0.000 0.997 848 T CB 0.364 69.249 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.344 123.404 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 0.000 0.000 0.202 849 L C -0.012 176.350 176.870 -0.845 0.000 1.076 849 L CA 0.966 55.368 54.840 -0.731 0.000 0.761 849 L CB -0.029 41.190 42.059 -1.399 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.389 118.523 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 0.000 0.000 0.311 850 F C -0.509 175.399 175.800 0.179 0.000 1.088 850 F CA -0.884 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.929 40.533 39.000 -0.661 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.364 122.179 120.570 0.407 0.000 2.533 851 I HA 0.396 4.566 4.170 0.000 0.000 0.290 851 I C -0.963 175.424 176.117 0.451 0.000 1.056 851 I CA -0.578 60.982 61.300 0.433 0.000 1.057 851 I CB 2.269 40.432 38.000 0.273 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.719 122.778 115.700 0.599 0.000 2.552 852 S HA 0.579 5.049 4.470 0.000 0.000 0.314 852 S C -0.778 174.074 174.600 0.420 0.000 1.099 852 S CA -0.676 57.843 58.200 0.533 0.000 1.070 852 S CB 0.778 64.416 63.200 0.729 0.000 0.998 852 S HN 0.572 nan 8.310 nan 0.000 0.474 853 R N 3.562 124.228 120.500 0.277 0.000 2.437 853 R HA 0.554 4.894 4.340 0.000 0.000 0.310 853 R C -0.644 175.730 176.300 0.124 0.000 0.955 853 R CA -0.769 55.449 56.100 0.198 0.000 0.851 853 R CB 1.854 32.242 30.300 0.148 0.000 1.161 853 R HN 0.561 nan 8.270 nan 0.000 0.446 854 K N 0.675 121.138 120.400 0.106 0.000 2.378 854 K HA 0.537 4.857 4.320 0.000 0.000 0.244 854 K C -0.663 175.907 176.600 -0.051 0.000 1.039 854 K CA -0.956 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.393 34.807 32.500 -0.142 0.000 1.326 854 K HN 0.615 nan 8.250 nan 0.000 0.460 855 T N -1.393 113.052 114.554 -0.182 0.000 2.952 855 T HA 0.532 4.882 4.350 0.000 0.000 0.305 855 T C -1.456 173.131 174.700 -0.188 0.000 1.064 855 T CA -0.772 61.276 62.100 -0.087 0.000 1.008 855 T CB 0.418 69.268 68.868 -0.029 0.000 1.078 855 T HN 0.412 nan 8.240 nan 0.000 0.459 856 Y N 1.126 121.409 120.300 -0.028 0.000 2.350 856 Y HA 0.716 5.266 4.550 0.000 0.000 0.338 856 Y C 0.395 176.241 175.900 -0.090 0.000 0.961 856 Y CA -1.113 56.978 58.100 -0.014 0.000 1.100 856 Y CB 2.091 40.571 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.081 124.621 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 0.000 0.000 0.307 857 R C -1.992 174.262 176.300 -0.076 0.000 0.965 857 R CA -0.406 55.681 56.100 -0.023 0.000 0.865 857 R CB 0.688 30.981 30.300 -0.012 0.000 1.174 857 R HN 0.810 nan 8.270 nan 0.000 0.455 858 I N 5.239 125.710 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 0.000 0.000 0.289 858 I C -0.255 175.758 176.117 -0.173 0.000 1.001 858 I CA -0.787 60.349 61.300 -0.274 0.000 1.193 858 I CB 1.375 39.039 38.000 -0.559 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.439 124.771 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 0.000 0.000 0.270 859 D C 1.261 177.542 176.300 -0.031 0.000 1.181 859 D CA -0.791 53.175 54.000 -0.056 0.000 1.070 859 D CB 0.875 41.658 40.800 -0.028 0.000 1.154 859 D HN 0.475 nan 8.370 nan 0.000 0.602 860 G N -1.375 107.417 108.800 -0.013 0.000 2.625 860 G HA2 -0.139 3.821 3.960 0.000 0.000 0.214 860 G HA3 -0.139 3.821 3.960 0.000 0.000 0.214 860 G C 1.090 175.991 174.900 0.002 0.000 1.132 860 G CA 0.942 46.042 45.100 0.000 0.000 0.782 860 G HN 0.533 nan 8.290 nan 0.000 0.538 861 S N -1.215 114.487 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 0.000 0.000 0.215 861 S C 1.747 176.384 174.600 0.063 0.000 0.966 861 S CA 0.881 59.090 58.200 0.014 0.000 0.911 861 S CB 0.138 63.342 63.200 0.005 0.000 0.780 861 S HN 1.380 nan 8.310 nan 0.000 0.514 862 G N 0.650 109.507 108.800 0.095 0.000 2.143 862 G HA2 -0.232 3.728 3.960 0.000 0.000 0.249 862 G HA3 -0.232 3.728 3.960 0.000 0.000 0.249 862 G C -0.251 174.767 174.900 0.197 0.000 0.981 862 G CA 0.045 45.275 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.494 119.357 119.800 0.085 0.000 2.241 863 Q HA 0.667 5.007 4.340 0.000 0.000 0.254 863 Q C 0.146 176.156 176.000 0.017 0.000 0.917 863 Q CA -0.401 55.454 55.803 0.087 0.000 0.919 863 Q CB 1.599 30.384 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.131 121.773 119.600 0.070 0.000 2.114 864 M HA 0.556 5.036 4.480 0.000 0.000 0.332 864 M C -1.500 174.887 176.300 0.146 0.000 1.014 864 M CA -0.513 54.808 55.300 0.034 0.000 0.956 864 M CB 1.088 33.704 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.831 129.710 122.820 0.099 0.000 2.288 865 A HA 0.765 5.085 4.320 0.000 0.000 0.320 865 A C -0.933 176.694 177.584 0.071 0.000 1.217 865 A CA -0.670 51.429 52.037 0.103 0.000 0.840 865 A CB 0.509 19.549 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.539 122.138 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 0.000 0.000 0.294 866 I C -0.132 175.889 176.117 -0.160 0.000 1.005 866 I CA -0.303 60.937 61.300 -0.099 0.000 1.113 866 I CB 2.458 40.424 38.000 -0.057 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.225 119.632 114.554 -0.244 0.000 2.841 867 T HA 0.543 4.893 4.350 0.000 0.000 0.285 867 T C -0.637 173.861 174.700 -0.338 0.000 0.991 867 T CA -0.400 61.549 62.100 -0.251 0.000 0.966 867 T CB 1.733 70.546 68.868 -0.091 0.000 0.962 867 T HN 0.216 nan 8.240 nan 0.000 0.438 868 V N 4.016 123.602 119.914 -0.547 0.000 2.540 868 V HA 0.545 4.665 4.120 0.000 0.000 0.302 868 V C -0.691 175.231 176.094 -0.288 0.000 1.035 868 V CA -0.907 61.104 62.300 -0.483 0.000 0.873 868 V CB 2.041 33.323 31.823 -0.902 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.303 123.705 120.400 0.003 0.000 2.549 869 D HA 0.520 5.160 4.640 0.000 0.000 0.251 869 D C -1.052 175.375 176.300 0.213 0.000 1.153 869 D CA -0.105 53.996 54.000 0.168 0.000 0.861 869 D CB 2.782 43.706 40.800 0.207 0.000 1.207 869 D HN 0.269 nan 8.370 nan 0.000 0.543 870 V N 2.194 122.272 119.914 0.273 0.000 2.628 870 V HA 0.352 4.472 4.120 0.000 0.000 0.306 870 V C 0.045 176.290 176.094 0.251 0.000 1.045 870 V CA -0.698 61.775 62.300 0.289 0.000 0.905 870 V CB 2.511 34.537 31.823 0.338 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.176 122.511 120.200 0.226 0.000 2.222 871 E HA 0.635 4.985 4.350 0.000 0.000 0.267 871 E C -1.611 175.115 176.600 0.209 0.000 0.884 871 E CA -0.622 55.889 56.400 0.185 0.000 0.764 871 E CB 2.658 32.449 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.075 122.113 119.914 0.207 0.000 2.409 872 V HA 0.380 4.500 4.120 0.000 0.000 0.291 872 V C 0.085 176.276 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.446 33.445 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.523 126.398 122.820 0.092 0.000 2.548 873 A HA 0.249 4.569 4.320 0.000 0.000 0.247 873 A C 1.647 179.299 177.584 0.114 0.000 1.067 873 A CA 0.653 52.730 52.037 0.066 0.000 0.757 873 A CB 0.221 19.226 19.000 0.007 0.000 0.996 873 A HN 1.377 nan 8.150 nan 0.000 0.504 874 S N 1.392 117.156 115.700 0.107 0.000 2.442 874 S HA -0.151 4.319 4.470 0.000 0.000 0.236 874 S C 0.846 175.524 174.600 0.130 0.000 1.007 874 S CA 1.347 59.628 58.200 0.135 0.000 0.965 874 S CB -0.263 62.995 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.169 120.623 120.400 0.089 0.000 2.368 875 D HA 0.151 4.791 4.640 0.000 0.000 0.218 875 D C 0.366 176.705 176.300 0.065 0.000 1.112 875 D CA -0.073 53.965 54.000 0.064 0.000 0.834 875 D CB -0.261 40.563 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.270 115.890 114.554 0.110 0.000 2.902 876 T HA 0.422 4.772 4.350 0.000 0.000 0.283 876 T C -2.651 172.163 174.700 0.190 0.000 1.009 876 T CA -1.992 60.202 62.100 0.157 0.000 1.051 876 T CB 1.322 70.292 68.868 0.171 0.000 0.999 876 T HN -0.170 nan 8.240 nan 0.000 0.474 877 P HA 0.117 nan 4.420 nan 0.000 0.265 877 P C -0.477 177.111 177.300 0.480 0.000 1.193 877 P CA -0.131 63.061 63.100 0.152 0.000 0.765 877 P CB 0.141 31.921 31.700 0.134 0.000 0.823 878 H N 3.218 122.648 119.070 0.600 0.000 3.001 878 H HA 0.079 4.635 4.556 0.000 0.000 0.334 878 H C -1.837 173.847 175.328 0.594 0.000 1.034 878 H CA -1.520 54.831 56.048 0.505 0.000 1.420 878 H CB -0.877 29.125 29.762 0.399 0.000 1.405 878 H HN 0.333 nan 8.280 nan 0.000 0.593 879 P HA 0.095 nan 4.420 nan 0.000 0.274 879 P C 0.333 177.551 177.300 -0.137 0.000 1.231 879 P CA -0.331 62.836 63.100 0.112 0.000 0.790 879 P CB 0.833 32.466 31.700 -0.111 0.000 0.951 880 A N 3.265 125.761 122.820 -0.541 0.000 1.969 880 A HA -0.087 4.233 4.320 0.000 0.000 0.218 880 A C 1.058 178.274 177.584 -0.613 0.000 1.169 880 A CA 1.411 53.093 52.037 -0.593 0.000 0.635 880 A CB -0.540 17.928 19.000 -0.886 0.000 0.810 880 A HN 0.757 nan 8.150 nan 0.000 0.445 881 R N -2.870 117.303 120.500 -0.544 0.000 2.728 881 R HA 0.716 5.056 4.340 0.000 0.000 0.274 881 R C -1.833 174.231 176.300 -0.394 0.000 1.030 881 R CA -0.804 54.991 56.100 -0.508 0.000 0.876 881 R CB 0.667 30.607 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.275 121.642 120.570 -0.339 0.000 2.517 882 I HA 0.631 4.801 4.170 0.000 0.000 0.280 882 I C -0.443 175.435 176.117 -0.399 0.000 1.061 882 I CA -0.375 60.740 61.300 -0.309 0.000 1.091 882 I CB 1.837 39.723 38.000 -0.190 0.000 1.205 882 I HN 0.975 nan 8.210 nan 0.000 0.459 883 G N 5.818 114.326 108.800 -0.487 0.000 2.650 883 G HA2 0.763 4.723 3.960 0.000 0.000 0.310 883 G HA3 0.763 4.723 3.960 0.000 0.000 0.310 883 G C -1.721 172.979 174.900 -0.332 0.000 1.270 883 G CA -0.575 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.272 nan 8.290 nan 0.000 0.493 884 L N 0.757 121.838 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 0.000 0.000 0.263 884 L C -0.749 176.003 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.587 54.840 -0.188 0.000 0.820 884 L CB 2.534 44.551 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.534 119.147 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 0.000 0.000 0.264 885 N C -1.236 174.268 175.510 -0.009 0.000 1.348 885 N CA -0.599 52.405 53.050 -0.076 0.000 0.819 885 N CB 2.253 40.725 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.617 117.704 119.300 0.035 0.000 3.292 886 C HA 0.572 5.032 4.460 0.000 0.000 0.338 886 C C -1.232 173.606 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.112 59.018 -0.044 0.000 1.232 886 C CB 0.934 28.654 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.451 120.891 119.800 -0.601 0.000 2.368 887 Q HA 0.655 4.995 4.340 0.000 0.000 0.256 887 Q C -0.984 174.724 176.000 -0.486 0.000 0.980 887 Q CA -0.420 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.817 28.610 28.738 -1.575 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.572 123.606 121.223 -0.316 0.000 2.395 888 L HA 0.290 4.630 4.340 0.000 0.000 0.269 888 L C 1.225 178.018 176.870 -0.128 0.000 1.133 888 L CA -0.250 54.520 54.840 -0.116 0.000 0.812 888 L CB 0.855 42.954 42.059 0.068 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.974 124.744 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 0.000 0.000 0.217 889 A C 1.173 178.730 177.584 -0.044 0.000 1.175 889 A CA 0.761 52.746 52.037 -0.087 0.000 0.627 889 A CB -0.287 18.658 19.000 -0.091 0.000 0.815 889 A HN 0.795 nan 8.150 nan 0.000 0.443 890 Q N -0.496 119.307 119.800 0.006 0.000 2.417 890 Q HA 0.434 4.774 4.340 0.000 0.000 0.241 890 Q C -1.127 174.897 176.000 0.040 0.000 1.008 890 Q CA 0.368 56.174 55.803 0.006 0.000 0.901 890 Q CB 0.844 29.607 28.738 0.042 0.000 1.259 890 Q HN 0.166 nan 8.270 nan 0.000 0.489 891 V N 2.553 122.455 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 0.000 0.000 0.298 891 V C -0.845 175.198 176.094 -0.084 0.000 1.047 891 V CA -0.171 62.144 62.300 0.024 0.000 0.880 891 V CB 1.160 32.996 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.202 125.931 122.820 -0.151 0.000 2.347 892 A HA 0.911 5.231 4.320 0.000 0.000 0.301 892 A C 0.535 178.141 177.584 0.035 0.000 1.163 892 A CA -0.311 51.600 52.037 -0.211 0.000 0.860 892 A CB 1.566 20.219 19.000 -0.579 0.000 1.367 892 A HN 0.680 nan 8.150 nan 0.000 0.461 893 E N -0.155 120.058 120.200 0.023 0.000 2.102 893 E HA 0.094 4.444 4.350 0.000 0.000 0.190 893 E C 0.393 177.075 176.600 0.135 0.000 0.971 893 E CA 1.070 57.515 56.400 0.075 0.000 0.821 893 E CB 0.171 29.892 29.700 0.036 0.000 0.777 893 E HN 0.512 nan 8.360 nan 0.000 0.460 894 R N -0.574 120.021 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 0.000 0.000 0.271 894 R C -1.099 175.395 176.300 0.324 0.000 0.996 894 R CA -0.929 55.294 56.100 0.204 0.000 0.961 894 R CB 2.331 32.716 30.300 0.141 0.000 1.182 894 R HN -0.179 nan 8.270 nan 0.000 0.479 895 V N 1.892 122.004 119.914 0.330 0.000 2.531 895 V HA 0.359 4.479 4.120 0.000 0.000 0.301 895 V C -0.432 175.938 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.815 33.820 31.823 0.303 0.000 0.995 895 V HN 0.696 nan 8.190 nan 0.000 0.424 896 N N 4.135 123.092 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 0.000 0.000 0.293 896 N C -1.501 174.281 175.510 0.453 0.000 1.040 896 N CA -0.422 52.846 53.050 0.363 0.000 0.840 896 N CB 2.948 41.542 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.076 124.432 121.300 0.094 0.000 3.137 897 W HA 0.589 5.249 4.660 0.000 0.000 0.324 897 W C -2.183 174.332 176.519 -0.006 0.000 1.253 897 W CA -1.080 56.305 57.345 0.067 0.000 1.183 897 W CB 0.703 30.241 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.974 125.202 121.223 0.008 0.000 2.318 898 L HA 0.934 5.274 4.340 0.000 0.000 0.277 898 L C -0.037 176.763 176.870 -0.117 0.000 1.008 898 L CA 0.366 55.037 54.840 -0.282 0.000 0.846 898 L CB 0.839 42.785 42.059 -0.189 0.000 1.220 898 L HN 1.047 nan 8.230 nan 0.000 0.423 899 G N 3.720 112.354 108.800 -0.277 0.000 2.356 899 G HA2 0.210 4.170 3.960 0.000 0.000 0.281 899 G HA3 0.210 4.170 3.960 0.000 0.000 0.281 899 G C -1.647 173.390 174.900 0.229 0.000 1.246 899 G CA -1.034 44.127 45.100 0.103 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.033 122.475 121.223 0.364 0.000 2.380 900 L HA 0.623 4.963 4.340 0.000 0.000 0.273 900 L C 1.054 178.026 176.870 0.171 0.000 1.138 900 L CA 0.672 55.663 54.840 0.252 0.000 0.832 900 L CB 0.732 42.867 42.059 0.127 0.000 1.124 900 L HN 1.152 nan 8.230 nan 0.000 0.454 901 G N 2.703 111.389 108.800 -0.189 0.000 2.427 901 G HA2 0.285 4.245 3.960 0.000 0.000 0.306 901 G HA3 0.285 4.245 3.960 0.000 0.000 0.306 901 G C -2.763 171.393 174.900 -1.240 0.000 1.280 901 G CA -0.280 44.355 45.100 -0.774 0.000 0.837 901 G HN 0.310 nan 8.290 nan 0.000 0.482 902 P HA 0.122 nan 4.420 nan 0.000 0.239 902 P C 0.514 177.596 177.300 -0.362 0.000 1.188 902 P CA 0.498 62.962 63.100 -1.059 0.000 0.794 902 P CB 0.570 31.792 31.700 -0.797 0.000 0.937 903 Q N 0.571 120.168 119.800 -0.338 0.000 2.318 903 Q HA 0.128 4.468 4.340 0.000 0.000 0.222 903 Q C 0.378 176.258 176.000 -0.200 0.000 1.003 903 Q CA -0.531 55.150 55.803 -0.204 0.000 0.936 903 Q CB 0.662 29.309 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.457 121.552 120.200 -0.176 0.000 2.558 904 E HA -0.123 4.227 4.350 0.000 0.000 0.255 904 E C -1.177 175.343 176.600 -0.134 0.000 0.968 904 E CA 0.223 56.512 56.400 -0.185 0.000 0.939 904 E CB 0.185 29.843 29.700 -0.070 0.000 0.921 904 E HN 0.533 nan 8.360 nan 0.000 0.477 905 N N 3.051 121.595 118.700 -0.260 0.000 2.264 905 N HA 0.336 5.076 4.740 0.000 0.000 0.288 905 N C -1.806 173.477 175.510 -0.379 0.000 1.094 905 N CA -0.680 52.267 53.050 -0.172 0.000 0.817 905 N CB 0.803 39.208 38.487 -0.138 0.000 1.604 905 N HN 0.240 nan 8.380 nan 0.000 0.473 906 Y N 0.047 120.247 120.300 -0.167 0.000 2.630 906 Y HA 0.497 5.047 4.550 0.000 0.000 0.337 906 Y C -1.598 174.217 175.900 -0.142 0.000 1.051 906 Y CA -2.103 55.882 58.100 -0.192 0.000 1.121 906 Y CB 1.795 40.136 38.460 -0.199 0.000 1.299 906 Y HN 0.447 nan 8.280 nan 0.000 0.498 907 P HA -0.157 nan 4.420 nan 0.000 0.216 907 P C 0.269 177.460 177.300 -0.182 0.000 1.150 907 P CA 2.008 65.118 63.100 0.016 0.000 0.843 907 P CB 0.208 32.003 31.700 0.158 0.000 0.787 908 D N -2.272 117.843 120.400 -0.475 0.000 2.368 908 D HA 0.035 4.675 4.640 0.000 0.000 0.218 908 D C 0.613 176.780 176.300 -0.221 0.000 1.112 908 D CA -0.026 53.535 54.000 -0.733 0.000 0.834 908 D CB -0.179 39.880 40.800 -1.236 0.000 0.953 908 D HN 0.113 nan 8.370 nan 0.000 0.505 909 R N 1.058 121.513 120.500 -0.076 0.000 2.684 909 R HA 0.201 4.541 4.340 0.000 0.000 0.252 909 R C -0.644 175.684 176.300 0.046 0.000 1.628 909 R CA -0.160 55.953 56.100 0.021 0.000 1.622 909 R CB 0.090 30.405 30.300 0.025 0.000 1.418 909 R HN 0.101 nan 8.270 nan 0.000 0.697 910 L N -1.739 119.521 121.223 0.062 0.000 3.521 910 L HA 0.326 4.666 4.340 0.000 0.000 0.323 910 L C 1.279 178.207 176.870 0.098 0.000 1.268 910 L CA 0.082 54.957 54.840 0.059 0.000 1.064 910 L CB 0.191 42.267 42.059 0.029 0.000 1.455 910 L HN 0.094 nan 8.230 nan 0.000 0.622 911 T N -2.589 112.050 114.554 0.141 0.000 2.915 911 T HA 0.021 4.371 4.350 0.000 0.000 0.269 911 T C 1.737 176.528 174.700 0.152 0.000 1.071 911 T CA 1.298 63.507 62.100 0.182 0.000 1.132 911 T CB -0.276 68.737 68.868 0.241 0.000 0.878 911 T HN 0.400 nan 8.240 nan 0.000 0.479 912 A N 1.394 124.306 122.820 0.154 0.000 2.119 912 A HA 0.662 4.982 4.320 0.000 0.000 0.216 912 A C 1.686 179.376 177.584 0.176 0.000 1.152 912 A CA 0.544 52.639 52.037 0.096 0.000 0.708 912 A CB -0.901 18.250 19.000 0.253 0.000 0.805 912 A HN 0.825 nan 8.150 nan 0.000 0.460 916 D N 2.940 122.737 120.400 -1.004 0.000 3.145 916 D HA 0.345 4.985 4.640 0.000 0.000 0.345 916 D C -1.490 173.905 176.300 -1.509 0.000 1.391 916 D CA -0.669 52.583 54.000 -1.246 0.000 0.930 916 D CB 2.250 42.265 40.800 -1.307 0.000 1.451 916 D HN 0.634 nan 8.370 nan 0.000 0.555 917 R N 0.545 120.204 120.500 -1.403 0.000 2.229 917 R HA 0.475 4.815 4.340 0.000 0.000 0.332 917 R C -1.263 174.230 176.300 -1.346 0.000 0.989 917 R CA -0.452 54.965 56.100 -1.139 0.000 0.842 917 R CB 0.486 30.392 30.300 -0.657 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.581 123.332 121.300 -0.915 0.000 2.639 918 W HA 0.418 5.078 4.660 0.000 0.000 0.347 918 W C -0.408 175.713 176.519 -0.664 0.000 1.067 918 W CA -0.663 56.098 57.345 -0.973 0.000 1.218 918 W CB 1.500 29.915 29.460 -1.743 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.670 123.013 120.400 -0.096 0.000 2.602 919 D HA 0.468 5.108 4.640 0.000 0.000 0.245 919 D C -1.288 175.108 176.300 0.159 0.000 1.325 919 D CA -0.109 53.934 54.000 0.072 0.000 0.952 919 D CB 1.092 41.904 40.800 0.019 0.000 1.317 919 D HN 0.366 nan 8.370 nan 0.000 0.577 920 L N 2.562 123.953 121.223 0.280 0.000 2.341 920 L HA 0.567 4.907 4.340 0.000 0.000 0.254 920 L C -2.517 174.479 176.870 0.209 0.000 1.040 920 L CA -2.202 52.778 54.840 0.233 0.000 0.837 920 L CB 2.578 44.809 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.145 nan 4.420 nan 0.000 0.282 921 P C 0.456 177.839 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.097 32.853 31.700 0.094 0.000 0.984 922 L N 3.468 124.778 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 0.000 0.000 0.213 922 L C 2.092 179.020 176.870 0.096 0.000 1.079 922 L CA 2.672 57.588 54.840 0.127 0.000 0.758 922 L CB -1.414 40.736 42.059 0.151 0.000 0.891 922 L HN 0.409 nan 8.230 nan 0.000 0.433 923 S N -1.711 114.046 115.700 0.095 0.000 2.400 923 S HA -0.187 4.283 4.470 0.000 0.000 0.232 923 S C 1.597 176.268 174.600 0.118 0.000 1.025 923 S CA 1.220 59.484 58.200 0.107 0.000 0.993 923 S CB -0.783 62.470 63.200 0.087 0.000 0.808 923 S HN 0.522 nan 8.310 nan 0.000 0.478 924 D N 1.242 121.694 120.400 0.086 0.000 2.348 924 D HA 0.094 4.734 4.640 0.000 0.000 0.216 924 D C 1.196 177.510 176.300 0.023 0.000 0.970 924 D CA 0.605 54.637 54.000 0.053 0.000 0.889 924 D CB -0.162 40.674 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.290 119.333 119.600 0.039 0.000 2.505 925 M HA 0.087 4.567 4.480 0.000 0.000 0.230 925 M C -0.165 176.155 176.300 0.033 0.000 1.153 925 M CA -0.056 55.225 55.300 -0.032 0.000 0.997 925 M CB -0.802 31.766 32.600 -0.052 0.000 1.606 925 M HN -0.046 nan 8.290 nan 0.000 0.481 926 Y N -0.040 120.223 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 0.000 0.000 0.340 926 Y C -0.861 174.974 175.900 -0.108 0.000 0.965 926 Y CA -0.688 57.384 58.100 -0.046 0.000 1.078 926 Y CB 1.462 39.956 38.460 0.057 0.000 1.193 926 Y HN -0.097 nan 8.280 nan 0.000 0.452 927 T N 8.879 122.924 114.554 -0.848 0.000 2.788 927 T HA 0.279 4.629 4.350 0.000 0.000 0.296 927 T C -2.706 171.198 174.700 -1.327 0.000 1.009 927 T CA -1.515 60.009 62.100 -0.961 0.000 0.949 927 T CB 1.057 69.461 68.868 -0.773 0.000 0.946 927 T HN 0.449 nan 8.240 nan 0.000 0.453 928 P HA 0.111 nan 4.420 nan 0.000 0.225 928 P C -0.661 176.455 177.300 -0.306 0.000 1.768 928 P CA -0.382 62.288 63.100 -0.716 0.000 0.943 928 P CB -0.770 30.658 31.700 -0.453 0.000 1.936 929 Y N -0.321 119.882 120.300 -0.162 0.000 2.526 929 Y HA -0.077 4.473 4.550 0.000 0.000 0.330 929 Y C 2.263 178.193 175.900 0.050 0.000 1.156 929 Y CA -0.510 57.569 58.100 -0.035 0.000 1.419 929 Y CB 0.604 38.985 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.753 123.869 119.914 0.338 0.000 2.317 930 V HA -0.329 3.791 4.120 0.000 0.000 0.251 930 V C 0.563 176.816 176.094 0.265 0.000 1.065 930 V CA 1.598 64.078 62.300 0.301 0.000 1.049 930 V CB -0.574 31.469 31.823 0.366 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 3.238 123.221 119.950 0.055 0.000 2.361 931 F HA 0.525 5.052 4.527 0.000 0.000 0.364 931 F C -2.417 173.374 175.800 -0.015 0.000 1.120 931 F CA -3.281 54.697 58.000 -0.037 0.000 1.102 931 F CB 0.922 39.787 39.000 -0.224 0.000 1.183 931 F HN -0.012 nan 8.300 nan 0.000 0.476 932 P HA 0.313 nan 4.420 nan 0.000 0.275 932 P C -1.117 175.894 177.300 -0.481 0.000 1.228 932 P CA -0.091 62.766 63.100 -0.405 0.000 0.786 932 P CB 1.486 32.989 31.700 -0.328 0.000 0.927 933 S N -0.407 115.190 115.700 -0.172 0.000 2.703 933 S HA 0.419 4.889 4.470 0.000 0.000 0.273 933 S C -0.828 173.760 174.600 -0.019 0.000 1.178 933 S CA -0.934 57.208 58.200 -0.097 0.000 0.838 933 S CB 0.300 63.471 63.200 -0.049 0.000 1.178 933 S HN 0.343 nan 8.310 nan 0.000 0.494 934 E N 1.285 121.485 120.200 -0.001 0.000 2.529 934 E HA 0.352 4.702 4.350 0.000 0.000 0.259 934 E C -0.152 176.492 176.600 0.072 0.000 0.966 934 E CA 0.938 57.363 56.400 0.040 0.000 0.937 934 E CB -0.403 29.343 29.700 0.078 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.603 120.377 118.700 0.124 0.000 3.116 935 N HA 0.535 5.275 4.740 0.000 0.000 0.244 935 N C 0.298 175.860 175.510 0.086 0.000 1.485 935 N CA -0.618 52.541 53.050 0.181 0.000 0.884 935 N CB 0.794 39.370 38.487 0.148 0.000 1.415 935 N HN 0.645 nan 8.380 nan 0.000 0.524 936 G N -1.437 107.378 108.800 0.025 0.000 2.179 936 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 936 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 936 G C -0.168 174.492 174.900 -0.400 0.000 0.977 936 G CA 0.398 45.400 45.100 -0.163 0.000 0.641 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 1.296 122.211 121.223 -0.512 0.000 2.499 937 L HA 0.489 4.829 4.340 0.000 0.000 0.281 937 L C 0.888 177.196 176.870 -0.935 0.000 1.234 937 L CA 0.497 54.797 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.576 42.059 -1.417 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.595 123.458 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 0.000 0.000 0.293 938 R C -1.193 174.742 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.878 30.643 30.300 -0.891 0.000 1.184 938 R HN 0.550 nan 8.270 nan 0.000 0.445 939 C N -0.012 119.079 119.300 -0.349 0.000 2.354 939 C HA 0.644 5.104 4.460 0.000 0.000 0.381 939 C C 1.353 176.315 174.990 -0.046 0.000 1.240 939 C CA 0.359 59.257 59.018 -0.199 0.000 2.089 939 C CB 1.146 28.792 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.168 110.952 108.800 -0.027 0.000 2.395 940 G HA2 -0.179 3.781 3.960 0.000 0.000 0.300 940 G HA3 -0.179 3.781 3.960 0.000 0.000 0.300 940 G C -0.084 174.869 174.900 0.089 0.000 0.998 940 G CA 0.546 45.676 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.340 114.137 114.554 -0.127 0.000 2.799 941 T HA 0.494 4.844 4.350 0.000 0.000 0.286 941 T C 1.541 175.963 174.700 -0.464 0.000 0.973 941 T CA -0.526 61.464 62.100 -0.184 0.000 1.035 941 T CB 1.350 70.104 68.868 -0.191 0.000 0.932 941 T HN 0.385 nan 8.240 nan 0.000 0.469 942 R N 1.334 121.775 120.500 -0.098 0.000 2.279 942 R HA 0.261 4.601 4.340 0.000 0.000 0.195 942 R C 0.527 176.877 176.300 0.082 0.000 0.905 942 R CA 0.171 56.261 56.100 -0.016 0.000 1.044 942 R CB 0.841 31.247 30.300 0.175 0.000 1.056 942 R HN 0.610 nan 8.270 nan 0.000 0.535 943 E N 0.953 121.222 120.200 0.116 0.000 2.321 943 E HA 0.272 4.622 4.350 0.000 0.000 0.281 943 E C -2.043 174.709 176.600 0.253 0.000 0.910 943 E CA -0.616 55.919 56.400 0.225 0.000 0.770 943 E CB 1.825 31.624 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.131 125.553 121.223 0.332 0.000 2.410 944 L HA 0.600 4.940 4.340 0.000 0.000 0.270 944 L C -1.865 175.228 176.870 0.373 0.000 0.983 944 L CA -0.377 54.613 54.840 0.249 0.000 0.822 944 L CB 1.795 43.840 42.059 -0.023 0.000 1.285 944 L HN 0.465 nan 8.230 nan 0.000 0.409 945 N N 4.488 123.374 118.700 0.310 0.000 2.346 945 N HA 0.406 5.146 4.740 0.000 0.000 0.289 945 N C -2.033 173.721 175.510 0.407 0.000 1.027 945 N CA -0.282 52.956 53.050 0.314 0.000 0.864 945 N CB 2.291 40.897 38.487 0.198 0.000 1.370 945 N HN 0.615 nan 8.380 nan 0.000 0.481 946 Y N 1.292 121.752 120.300 0.267 0.000 2.323 946 Y HA 0.419 4.969 4.550 0.000 0.000 0.322 946 Y C 0.470 176.484 175.900 0.190 0.000 1.133 946 Y CA 0.202 58.441 58.100 0.232 0.000 1.093 946 Y CB 0.566 39.204 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.397 115.080 108.800 -0.195 0.000 2.528 947 G HA2 -0.274 3.686 3.960 0.000 0.000 0.262 947 G HA3 -0.274 3.686 3.960 0.000 0.000 0.262 947 G C -1.908 172.904 174.900 -0.147 0.000 1.200 947 G CA -0.062 44.891 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.131 nan 4.420 nan 0.000 0.236 948 P C 0.515 177.586 177.300 -0.381 0.000 1.177 948 P CA 0.965 63.873 63.100 -0.319 0.000 0.773 948 P CB -0.051 31.379 31.700 -0.449 0.000 0.878 949 H N -0.219 118.798 119.070 -0.089 0.000 2.505 949 H HA 0.469 5.025 4.556 0.000 0.000 0.351 949 H C 0.420 175.515 175.328 -0.390 0.000 1.151 949 H CA -0.168 55.705 56.048 -0.291 0.000 1.339 949 H CB 0.824 30.248 29.762 -0.564 0.000 1.483 949 H HN -0.048 nan 8.280 nan 0.000 0.558 950 Q N 2.723 122.275 119.800 -0.414 0.000 2.284 950 Q HA 0.221 4.561 4.340 0.000 0.000 0.269 950 Q C -1.901 173.883 176.000 -0.361 0.000 1.026 950 Q CA -0.771 54.892 55.803 -0.234 0.000 0.831 950 Q CB 1.780 30.512 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.542 124.847 121.300 0.007 0.000 2.819 951 W HA 0.597 5.257 4.660 0.000 0.000 0.337 951 W C -0.454 176.160 176.519 0.158 0.000 1.077 951 W CA -0.792 56.534 57.345 -0.031 0.000 1.226 951 W CB 2.237 31.512 29.460 -0.308 0.000 1.419 951 W HN 0.614 nan 8.180 nan 0.000 0.502 952 R N 0.741 121.495 120.500 0.425 0.000 2.744 952 R HA 0.861 5.201 4.340 0.000 0.000 0.279 952 R C 0.131 176.707 176.300 0.460 0.000 0.977 952 R CA -0.586 55.770 56.100 0.427 0.000 0.906 952 R CB 2.364 32.830 30.300 0.276 0.000 1.197 952 R HN 0.705 nan 8.270 nan 0.000 0.463 953 G N 0.499 109.584 108.800 0.475 0.000 2.513 953 G HA2 0.105 4.065 3.960 0.000 0.000 0.182 953 G HA3 0.105 4.065 3.960 0.000 0.000 0.182 953 G C -1.773 173.278 174.900 0.251 0.000 1.190 953 G CA -0.530 44.816 45.100 0.410 0.000 0.987 953 G HN 0.513 nan 8.290 nan 0.000 0.479 954 D N 0.114 120.670 120.400 0.259 0.000 2.330 954 D HA 0.649 5.289 4.640 0.000 0.000 0.249 954 D C -0.551 175.761 176.300 0.021 0.000 1.306 954 D CA -0.425 53.593 54.000 0.029 0.000 0.956 954 D CB 0.366 41.205 40.800 0.065 0.000 1.261 954 D HN 0.579 nan 8.370 nan 0.000 0.544 955 F N -0.052 119.894 119.950 -0.007 0.000 3.016 955 F HA 0.657 5.184 4.527 0.000 0.000 0.324 955 F C -1.387 174.372 175.800 -0.068 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.115 0.000 0.929 955 F CB 0.670 39.587 39.000 -0.138 0.000 1.440 955 F HN -0.096 nan 8.300 nan 0.000 0.505 956 Q N 1.435 121.323 119.800 0.147 0.000 2.387 956 Q HA 0.677 5.017 4.340 0.000 0.000 0.273 956 Q C -1.315 174.781 176.000 0.160 0.000 1.089 956 Q CA -0.514 55.294 55.803 0.009 0.000 0.824 956 Q CB 2.805 31.422 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.179 118.659 119.950 -0.186 0.000 2.711 957 F HA 0.778 5.305 4.527 0.000 0.000 0.313 957 F C -1.605 173.986 175.800 -0.348 0.000 1.141 957 F CA -1.084 56.765 58.000 -0.251 0.000 0.941 957 F CB 1.617 40.482 39.000 -0.225 0.000 1.349 957 F HN 0.576 nan 8.300 nan 0.000 0.464 958 N N 1.083 119.655 118.700 -0.212 0.000 2.329 958 N HA 0.692 5.432 4.740 0.000 0.000 0.282 958 N C -2.189 173.295 175.510 -0.043 0.000 1.198 958 N CA -0.684 52.211 53.050 -0.258 0.000 0.790 958 N CB 2.505 40.832 38.487 -0.267 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.626 121.157 120.570 -0.065 0.000 2.610 959 I HA 0.678 4.848 4.170 0.000 0.000 0.289 959 I C -1.254 174.817 176.117 -0.076 0.000 1.163 959 I CA 0.073 61.313 61.300 -0.099 0.000 1.044 959 I CB 1.332 39.214 38.000 -0.196 0.000 1.251 959 I HN 1.068 nan 8.210 nan 0.000 0.424 960 S N 6.369 122.038 115.700 -0.052 0.000 2.714 960 S HA 0.519 4.989 4.470 0.000 0.000 0.280 960 S C -0.349 174.185 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.532 64.761 63.200 0.048 0.000 1.235 960 S HN 0.621 nan 8.310 nan 0.000 0.512 961 R N -0.114 120.144 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 0.000 0.000 0.262 961 R C -0.977 174.971 176.300 -0.586 0.000 0.943 961 R CA 0.196 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.542 29.346 30.300 -0.687 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.345 120.612 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 0.000 0.000 0.343 962 Y C 0.783 176.429 175.900 -0.424 0.000 0.973 962 Y CA -1.171 56.804 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.771 38.460 -0.279 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.555 116.904 115.700 -0.584 0.000 2.603 963 S HA 0.077 4.547 4.470 0.000 0.000 0.268 963 S C 0.865 175.131 174.600 -0.558 0.000 1.317 963 S CA -0.690 56.819 58.200 -1.151 0.000 1.012 963 S CB 1.169 63.643 63.200 -1.211 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.606 120.086 119.800 -0.534 0.000 2.135 964 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 964 Q C 2.175 178.042 176.000 -0.222 0.000 0.981 964 Q CA 1.774 57.407 55.803 -0.283 0.000 0.856 964 Q CB -0.499 28.110 28.738 -0.215 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.425 965 Q N 0.653 120.295 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 0.000 0.000 0.200 965 Q C 2.044 177.947 176.000 -0.162 0.000 0.974 965 Q CA 1.322 57.023 55.803 -0.170 0.000 0.840 965 Q CB 0.026 28.685 28.738 -0.132 0.000 0.898 965 Q HN 0.429 nan 8.270 nan 0.000 0.430 966 Q N 0.127 119.808 119.800 -0.200 0.000 2.050 966 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 966 Q C 2.373 178.257 176.000 -0.192 0.000 0.980 966 Q CA 1.302 56.998 55.803 -0.179 0.000 0.840 966 Q CB -0.092 28.522 28.738 -0.207 0.000 0.898 966 Q HN 0.464 nan 8.270 nan 0.000 0.424 967 L N 0.177 121.280 121.223 -0.200 0.000 2.043 967 L HA -0.236 4.104 4.340 0.000 0.000 0.212 967 L C 2.693 179.433 176.870 -0.217 0.000 1.075 967 L CA 1.398 56.111 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.578 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.645 118.855 119.600 -0.167 0.000 2.394 968 M HA -0.148 4.332 4.480 0.000 0.000 0.264 968 M C 1.582 177.802 176.300 -0.133 0.000 1.073 968 M CA 1.546 56.759 55.300 -0.144 0.000 1.111 968 M CB 0.133 32.665 32.600 -0.113 0.000 1.401 968 M HN 0.192 nan 8.290 nan 0.000 0.448 969 E N -0.727 119.397 120.200 -0.128 0.000 2.452 969 E HA 0.067 4.417 4.350 0.000 0.000 0.197 969 E C -0.252 176.297 176.600 -0.085 0.000 1.022 969 E CA 0.152 56.500 56.400 -0.087 0.000 0.890 969 E CB 0.564 30.225 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.829 115.301 114.554 -0.137 0.000 2.744 970 T HA 0.071 4.421 4.350 0.000 0.000 0.291 970 T C 1.128 175.728 174.700 -0.167 0.000 0.957 970 T CA -0.313 61.706 62.100 -0.136 0.000 1.002 970 T CB 1.530 70.287 68.868 -0.186 0.000 0.919 970 T HN 0.043 nan 8.240 nan 0.000 0.468 971 S N 2.182 117.870 115.700 -0.020 0.000 2.496 971 S HA 0.038 4.508 4.470 0.000 0.000 0.224 971 S C 0.321 174.980 174.600 0.098 0.000 0.996 971 S CA 0.350 58.609 58.200 0.099 0.000 0.927 971 S CB -0.213 63.188 63.200 0.335 0.000 0.774 971 S HN 0.746 nan 8.310 nan 0.000 0.524 972 H N 0.241 119.296 119.070 -0.026 0.000 2.851 972 H HA 0.515 5.071 4.556 0.000 0.000 0.372 972 H C 0.943 176.235 175.328 -0.060 0.000 1.158 972 H CA -0.762 55.334 56.048 0.079 0.000 1.159 972 H CB 1.519 31.348 29.762 0.111 0.000 1.757 972 H HN 0.104 nan 8.280 nan 0.000 0.546 973 R N 1.351 121.960 120.500 0.181 0.000 2.105 973 R HA -0.182 4.158 4.340 0.000 0.000 0.239 973 R C 1.391 177.690 176.300 -0.001 0.000 1.135 973 R CA 1.935 58.069 56.100 0.056 0.000 0.967 973 R CB -0.568 29.791 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.587 120.659 119.070 0.003 0.000 2.489 974 H HA -0.024 4.532 4.556 0.000 0.000 0.293 974 H C 1.540 176.787 175.328 -0.135 0.000 1.066 974 H CA 1.045 57.048 56.048 -0.075 0.000 1.305 974 H CB -0.246 29.457 29.762 -0.097 0.000 1.386 974 H HN 0.322 nan 8.280 nan 0.000 0.551 975 L N 0.901 121.691 121.223 -0.722 0.000 2.591 975 L HA 0.196 4.536 4.340 0.000 0.000 0.228 975 L C 0.582 177.318 176.870 -0.223 0.000 1.133 975 L CA -0.104 54.446 54.840 -0.483 0.000 0.880 975 L CB -0.034 41.740 42.059 -0.474 0.000 1.033 975 L HN 0.048 nan 8.230 nan 0.000 0.450 976 L N 0.747 121.840 121.223 -0.217 0.000 2.395 976 L HA 0.217 4.557 4.340 0.000 0.000 0.269 976 L C 0.270 177.132 176.870 -0.013 0.000 1.133 976 L CA -0.297 54.415 54.840 -0.214 0.000 0.812 976 L CB 0.606 42.354 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.692 120.807 119.070 0.075 0.000 2.529 977 H HA 0.610 5.166 4.556 0.000 0.000 0.348 977 H C -0.761 174.665 175.328 0.164 0.000 1.079 977 H CA -1.193 54.917 56.048 0.103 0.000 1.198 977 H CB 1.399 31.175 29.762 0.023 0.000 1.521 977 H HN 0.698 nan 8.280 nan 0.000 0.514 978 A N 4.052 126.953 122.820 0.136 0.000 2.540 978 A HA 0.083 4.403 4.320 0.000 0.000 0.239 978 A C 0.357 177.960 177.584 0.033 0.000 1.061 978 A CA -0.187 51.767 52.037 -0.137 0.000 0.758 978 A CB 0.012 18.916 19.000 -0.160 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 1.109 121.285 120.200 -0.040 0.000 2.359 979 E HA 0.118 4.468 4.350 0.000 0.000 0.255 979 E C 0.639 177.259 176.600 0.033 0.000 1.191 979 E CA -0.697 55.768 56.400 0.108 0.000 0.952 979 E CB 0.671 30.522 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.229 120.448 120.200 0.032 0.000 2.065 980 E HA -0.210 4.140 4.350 0.000 0.000 0.201 980 E C 0.923 177.474 176.600 -0.081 0.000 1.016 980 E CA 1.727 58.108 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.696 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.357 107.349 108.800 -0.156 0.000 3.392 981 G HA2 0.250 4.210 3.960 0.000 0.000 0.185 981 G HA3 0.250 4.210 3.960 0.000 0.000 0.185 981 G C -0.683 174.136 174.900 -0.136 0.000 1.206 981 G CA -0.159 44.860 45.100 -0.135 0.000 0.776 981 G HN 0.098 nan 8.290 nan 0.000 0.697 982 T N 0.450 114.921 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.761 4.350 0.000 0.000 0.279 982 T C -1.556 173.007 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.612 70.509 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.067 124.280 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 0.000 0.000 0.309 983 W C -0.434 175.967 176.519 -0.196 0.000 1.122 983 W CA -0.705 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.917 30.298 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.422 126.680 121.223 0.058 0.000 2.362 984 L HA 0.525 4.865 4.340 0.000 0.000 0.275 984 L C -1.000 175.794 176.870 -0.127 0.000 0.998 984 L CA -0.448 54.305 54.840 -0.146 0.000 0.820 984 L CB 1.091 42.930 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.940 125.547 118.700 -0.156 0.000 2.442 985 N HA 0.452 5.192 4.740 0.000 0.000 0.274 985 N C -1.274 174.106 175.510 -0.216 0.000 1.002 985 N CA -0.343 52.605 53.050 -0.169 0.000 0.910 985 N CB 2.246 40.657 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.838 122.224 120.570 -0.306 0.000 2.354 986 I HA 0.266 4.436 4.170 0.000 0.000 0.286 986 I C -0.459 175.469 176.117 -0.316 0.000 1.007 986 I CA -0.451 60.625 61.300 -0.373 0.000 1.167 986 I CB 1.399 39.035 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.550 124.805 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 0.000 0.000 0.243 987 D C 1.069 177.087 176.300 -0.471 0.000 1.054 987 D CA -0.221 53.583 54.000 -0.327 0.000 0.838 987 D CB 2.592 43.294 40.800 -0.164 0.000 1.162 987 D HN 0.694 nan 8.370 nan 0.000 0.472 988 G N 1.218 109.464 108.800 -0.922 0.000 2.408 988 G HA2 0.018 3.978 3.960 0.000 0.000 0.215 988 G HA3 0.018 3.978 3.960 0.000 0.000 0.215 988 G C 0.063 174.157 174.900 -1.344 0.000 1.156 988 G CA 0.568 44.882 45.100 -1.310 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.917 117.824 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 0.000 0.000 0.308 989 F C -0.667 175.026 175.800 -0.179 0.000 1.108 989 F CA -1.259 56.618 58.000 -0.205 0.000 0.957 989 F CB 1.903 40.725 39.000 -0.297 0.000 1.309 989 F HN -0.072 nan 8.300 nan 0.000 0.446 990 H N 2.407 121.484 119.070 0.012 0.000 2.865 990 H HA 0.420 4.976 4.556 0.000 0.000 0.362 990 H C -1.141 174.204 175.328 0.029 0.000 1.114 990 H CA -0.720 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.488 32.210 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.426 122.002 119.600 -0.040 0.000 2.245 991 M HA 0.264 4.744 4.480 0.000 0.000 0.330 991 M C 0.585 177.002 176.300 0.195 0.000 1.098 991 M CA 0.279 55.611 55.300 0.054 0.000 1.172 991 M CB 0.382 32.914 32.600 -0.112 0.000 1.467 991 M HN 0.745 nan 8.290 nan 0.000 0.454 992 G N 2.377 111.257 108.800 0.134 0.000 2.683 992 G HA2 0.330 4.290 3.960 0.000 0.000 0.260 992 G HA3 0.330 4.290 3.960 0.000 0.000 0.260 992 G C 0.543 175.415 174.900 -0.047 0.000 1.238 992 G CA -0.329 44.773 45.100 0.004 0.000 0.934 992 G HN 0.962 nan 8.290 nan 0.000 0.534 993 I N -2.708 117.783 120.570 -0.132 0.000 3.939 993 I HA 0.453 4.623 4.170 0.000 0.000 0.313 993 I C 1.149 177.191 176.117 -0.125 0.000 1.274 993 I CA 0.505 61.701 61.300 -0.174 0.000 1.301 993 I CB -0.324 37.484 38.000 -0.319 0.000 1.105 993 I HN 0.970 nan 8.210 nan 0.000 0.427 994 G N 1.620 110.365 108.800 -0.090 0.000 2.598 994 G HA2 0.056 4.016 3.960 0.000 0.000 0.244 994 G HA3 0.056 4.016 3.960 0.000 0.000 0.244 994 G C 0.575 175.465 174.900 -0.016 0.000 1.302 994 G CA 0.103 45.190 45.100 -0.022 0.000 0.903 994 G HN 1.414 nan 8.290 nan 0.000 0.575 995 G N -2.250 106.555 108.800 0.008 0.000 2.370 995 G HA2 0.024 3.984 3.960 0.000 0.000 0.174 995 G HA3 0.024 3.984 3.960 0.000 0.000 0.174 995 G C 0.605 175.548 174.900 0.072 0.000 1.002 995 G CA 0.935 46.048 45.100 0.021 0.000 0.730 995 G HN 0.990 nan 8.290 nan 0.000 0.497 996 D N 1.176 121.633 120.400 0.095 0.000 2.221 996 D HA 0.132 4.772 4.640 0.000 0.000 0.204 996 D C 0.958 177.276 176.300 0.031 0.000 0.982 996 D CA 2.079 56.192 54.000 0.188 0.000 0.857 996 D CB 0.148 41.074 40.800 0.209 0.000 0.934 996 D HN 0.836 nan 8.370 nan 0.000 0.475 997 D N -3.526 116.694 120.400 -0.300 0.000 2.653 997 D HA 0.247 4.887 4.640 0.000 0.000 0.258 997 D C -0.855 174.929 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.668 54.000 -0.995 0.000 0.777 997 D CB 0.738 40.505 40.800 -1.722 0.000 1.339 997 D HN -0.292 nan 8.370 nan 0.000 0.422 998 S N -0.181 114.808 115.700 -1.185 0.000 2.588 998 S HA 0.259 4.729 4.470 0.000 0.000 0.245 998 S C -0.504 174.161 174.600 0.108 0.000 1.021 998 S CA -0.642 57.403 58.200 -0.259 0.000 1.006 998 S CB -0.600 62.683 63.200 0.139 0.000 0.830 998 S HN 0.615 nan 8.310 nan 0.000 0.468 999 W N 0.922 122.167 121.300 -0.090 0.000 2.036 999 W HA 0.543 5.203 4.660 0.000 0.000 0.298 999 W C -0.037 176.443 176.519 -0.066 0.000 0.885 999 W CA -0.563 56.739 57.345 -0.072 0.000 1.488 999 W CB -0.545 28.811 29.460 -0.172 0.000 1.079 999 W HN 0.171 nan 8.180 nan 0.000 0.506 1000 S N -1.006 114.610 115.700 -0.140 0.000 2.596 1000 S HA 0.659 5.129 4.470 0.000 0.000 0.270 1000 S C -3.156 171.395 174.600 -0.082 0.000 1.155 1000 S CA -1.659 56.489 58.200 -0.087 0.000 0.827 1000 S CB 1.738 64.898 63.200 -0.066 0.000 1.130 1000 S HN -0.204 nan 8.310 nan 0.000 0.467 1001 P HA 0.248 nan 4.420 nan 0.000 0.266 1001 P C 0.229 177.578 177.300 0.082 0.000 1.215 1001 P CA -0.129 63.004 63.100 0.055 0.000 0.763 1001 P CB 0.687 32.333 31.700 -0.090 0.000 0.806 1002 S N 0.688 116.463 115.700 0.124 0.000 2.819 1002 S HA 0.163 4.633 4.470 0.000 0.000 0.249 1002 S C 0.206 174.885 174.600 0.131 0.000 1.030 1002 S CA -0.363 57.885 58.200 0.080 0.000 1.052 1002 S CB -0.263 62.934 63.200 -0.005 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.233 124.268 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 0.000 0.000 0.267 1003 V C 0.784 177.037 176.094 0.266 0.000 1.047 1003 V CA -0.475 61.943 62.300 0.195 0.000 0.937 1003 V CB 0.634 32.530 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.440 120.325 115.700 0.308 0.000 2.579 1004 S HA 0.332 4.802 4.470 0.000 0.000 0.275 1004 S C 1.495 176.241 174.600 0.243 0.000 1.345 1004 S CA -0.016 58.348 58.200 0.274 0.000 1.031 1004 S CB 1.303 64.630 63.200 0.212 0.000 0.892 1004 S HN 1.044 nan 8.310 nan 0.000 0.529 1005 A N 1.920 124.827 122.820 0.145 0.000 1.917 1005 A HA -0.190 4.130 4.320 0.000 0.000 0.219 1005 A C 1.907 179.491 177.584 0.001 0.000 1.182 1005 A CA 1.981 54.082 52.037 0.105 0.000 0.633 1005 A CB -1.230 17.813 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.049 119.056 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 0.000 0.000 0.200 1006 E C 0.718 176.996 176.600 -0.537 0.000 1.023 1006 E CA 1.052 57.216 56.400 -0.393 0.000 0.857 1006 E CB -0.366 28.887 29.700 -0.745 0.000 0.775 1006 E HN 0.794 nan 8.360 nan 0.000 0.525 1007 F N 0.550 120.547 119.950 0.078 0.000 2.654 1007 F HA 0.217 4.744 4.527 0.000 0.000 0.303 1007 F C 0.547 176.381 175.800 0.057 0.000 1.099 1007 F CA -0.520 57.525 58.000 0.075 0.000 1.270 1007 F CB 0.434 39.478 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.326 121.238 119.800 0.186 0.000 2.230 1008 Q HA 0.415 4.755 4.340 0.000 0.000 0.248 1008 Q C -0.227 175.799 176.000 0.043 0.000 0.915 1008 Q CA -0.567 55.322 55.803 0.144 0.000 0.900 1008 Q CB 2.048 30.955 28.738 0.281 0.000 1.229 1008 Q HN 0.260 nan 8.270 nan 0.000 0.439 1009 L N 2.421 123.648 121.223 0.007 0.000 2.399 1009 L HA 0.113 4.453 4.340 0.000 0.000 0.257 1009 L C 0.670 177.456 176.870 -0.140 0.000 1.236 1009 L CA -0.065 54.754 54.840 -0.036 0.000 1.144 1009 L CB -0.304 41.647 42.059 -0.180 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.989 114.564 115.700 -0.245 0.000 2.568 1010 S HA 0.159 4.629 4.470 0.000 0.000 0.232 1010 S C 1.567 176.083 174.600 -0.141 0.000 0.975 1010 S CA 0.161 58.061 58.200 -0.500 0.000 0.949 1010 S CB 0.742 63.632 63.200 -0.516 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.362 124.144 122.820 -0.064 0.000 2.119 1011 A HA 0.491 4.811 4.320 0.000 0.000 0.217 1011 A C 2.069 179.502 177.584 -0.251 0.000 1.153 1011 A CA 1.070 52.949 52.037 -0.262 0.000 0.692 1011 A CB -1.177 17.474 19.000 -0.581 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.423 107.314 108.800 -0.106 0.000 2.417 1012 G HA2 -0.272 3.688 3.960 0.000 0.000 0.233 1012 G HA3 -0.272 3.688 3.960 0.000 0.000 0.233 1012 G C 0.434 175.297 174.900 -0.062 0.000 1.103 1012 G CA 0.387 45.475 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.596 119.707 120.500 -0.328 0.000 2.574 1013 R HA 0.645 4.985 4.340 0.000 0.000 0.288 1013 R C -1.642 174.335 176.300 -0.538 0.000 1.004 1013 R CA -0.581 55.382 56.100 -0.227 0.000 0.895 1013 R CB 1.592 31.825 30.300 -0.112 0.000 1.191 1013 R HN 0.231 nan 8.270 nan 0.000 0.444 1014 Y N 0.312 120.615 120.300 0.005 0.000 2.477 1014 Y HA 0.345 4.895 4.550 0.000 0.000 0.347 1014 Y C -0.377 175.687 175.900 0.273 0.000 0.981 1014 Y CA -0.853 57.235 58.100 -0.020 0.000 1.033 1014 Y CB 2.259 40.580 38.460 -0.231 0.000 1.245 1014 Y HN 0.581 nan 8.280 nan 0.000 0.455 1015 H N 2.715 122.068 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 0.000 0.000 0.360 1015 H C -1.716 173.978 175.328 0.610 0.000 1.105 1015 H CA -0.922 55.375 56.048 0.416 0.000 1.196 1015 H CB 1.211 31.115 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.192 121.278 120.300 -0.357 0.000 2.638 1016 Y HA 0.582 5.132 4.550 0.000 0.000 0.335 1016 Y C -1.912 173.794 175.900 -0.324 0.000 1.155 1016 Y CA -1.082 56.889 58.100 -0.215 0.000 1.046 1016 Y CB 1.434 39.854 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.318 122.084 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.151 4.340 0.000 0.000 0.282 1017 Q C -1.810 174.255 176.000 0.108 0.000 1.044 1017 Q CA -0.992 54.774 55.803 -0.061 0.000 0.813 1017 Q CB 3.581 32.336 28.738 0.028 0.000 1.428 1017 Q HN 0.743 nan 8.270 nan 0.000 0.402 1018 L N 0.187 121.462 121.223 0.087 0.000 2.479 1018 L HA 0.761 5.101 4.340 0.000 0.000 0.255 1018 L C -1.192 175.787 176.870 0.181 0.000 1.026 1018 L CA -1.216 53.720 54.840 0.160 0.000 0.842 1018 L CB 2.494 44.630 42.059 0.128 0.000 1.444 1018 L HN 0.345 nan 8.230 nan 0.000 0.409 1019 V N 0.289 120.343 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.583 4.120 0.000 0.000 0.301 1019 V C -1.106 175.173 176.094 0.309 0.000 1.034 1019 V CA -0.391 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.037 33.978 31.823 0.197 0.000 0.995 1019 V HN 0.607 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.352 120.400 -0.081 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 1023 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543