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 1jz4_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.120 176.300 -0.300 0.000 0.893 13 R CA 0.000 55.990 56.100 -0.183 0.000 0.921 13 R CB 0.000 30.195 30.300 -0.174 0.000 0.687 14 R N 2.118 122.325 120.500 -0.487 0.000 3.109 14 R HA -0.170 4.184 4.340 0.023 0.000 0.241 14 R C -0.288 175.554 176.300 -0.763 0.000 0.882 14 R CA 0.903 56.260 56.100 -1.238 0.000 0.604 14 R CB -1.395 28.215 30.300 -1.149 0.000 1.040 14 R HN 0.281 nan 8.270 nan 0.000 0.480 15 D N 0.024 120.226 120.400 -0.330 0.000 2.309 15 D HA -0.161 4.492 4.640 0.023 0.000 0.212 15 D C 1.558 177.834 176.300 -0.040 0.000 0.968 15 D CA 1.492 55.331 54.000 -0.268 0.000 0.882 15 D CB -0.090 40.330 40.800 -0.634 0.000 0.918 15 D HN 0.741 nan 8.370 nan 0.000 0.503 16 W N 1.194 122.500 121.300 0.011 0.000 3.292 16 W HA 0.220 4.893 4.660 0.022 0.000 0.263 16 W C 0.221 176.825 176.519 0.142 0.000 1.318 16 W CA -0.345 57.102 57.345 0.169 0.000 1.663 16 W CB -0.136 29.471 29.460 0.245 0.000 1.114 16 W HN -0.213 nan 8.180 nan 0.000 0.706 17 E N 1.495 121.608 120.200 -0.145 0.000 4.017 17 E HA 0.063 4.427 4.350 0.023 0.000 0.205 17 E C -0.908 175.558 176.600 -0.224 0.000 1.054 17 E CA -0.243 56.072 56.400 -0.141 0.000 1.398 17 E CB -0.144 29.435 29.700 -0.201 0.000 1.164 17 E HN 0.037 nan 8.360 nan 0.000 0.445 18 N N 1.169 119.773 118.700 -0.159 0.000 2.699 18 N HA 0.124 4.878 4.740 0.023 0.000 0.271 18 N C -2.493 172.886 175.510 -0.218 0.000 1.216 18 N CA -1.721 51.196 53.050 -0.222 0.000 0.844 18 N CB 1.467 39.840 38.487 -0.190 0.000 1.462 18 N HN -0.148 nan 8.380 nan 0.000 0.555 19 P HA 0.115 nan 4.420 nan 0.000 0.237 19 P C 1.055 178.131 177.300 -0.374 0.000 1.178 19 P CA 0.511 63.306 63.100 -0.509 0.000 0.766 19 P CB 0.088 31.022 31.700 -1.278 0.000 0.876 20 G N -0.593 108.029 108.800 -0.297 0.000 2.920 20 G HA2 0.101 4.075 3.960 0.023 0.000 0.208 20 G HA3 0.101 4.075 3.960 0.023 0.000 0.208 20 G C 0.154 174.981 174.900 -0.122 0.000 1.159 20 G CA 0.182 45.156 45.100 -0.210 0.000 0.784 20 G HN 0.204 nan 8.290 nan 0.000 0.535 21 V N 1.405 121.266 119.914 -0.089 0.000 2.398 21 V HA 0.270 4.403 4.120 0.023 0.000 0.282 21 V C 0.777 176.932 176.094 0.101 0.000 1.014 21 V CA 0.028 62.327 62.300 -0.002 0.000 0.838 21 V CB 1.288 33.096 31.823 -0.025 0.000 1.018 21 V HN 0.304 nan 8.190 nan 0.000 0.432 22 T N 0.517 115.125 114.554 0.090 0.000 3.023 22 T HA 0.390 4.754 4.350 0.023 0.000 0.253 22 T C 0.253 175.008 174.700 0.091 0.000 1.038 22 T CA 0.244 62.402 62.100 0.096 0.000 0.962 22 T CB 0.321 69.194 68.868 0.008 0.000 1.018 22 T HN 0.722 nan 8.240 nan 0.000 0.521 23 Q N 0.109 120.019 119.800 0.184 0.000 2.848 23 Q HA 0.643 4.996 4.340 0.023 0.000 0.288 23 Q C -2.341 173.809 176.000 0.249 0.000 0.907 23 Q CA -1.034 54.866 55.803 0.162 0.000 0.792 23 Q CB 0.600 29.328 28.738 -0.017 0.000 1.534 23 Q HN 0.226 nan 8.270 nan 0.000 0.419 24 L N 1.484 122.878 121.223 0.285 0.000 2.470 24 L HA 0.620 4.974 4.340 0.023 0.000 0.268 24 L C -0.550 176.445 176.870 0.207 0.000 0.964 24 L CA -0.878 54.126 54.840 0.273 0.000 0.839 24 L CB 1.989 44.323 42.059 0.458 0.000 1.276 24 L HN 0.861 nan 8.230 nan 0.000 0.403 25 N N 0.655 119.440 118.700 0.143 0.000 2.828 25 N HA -0.206 4.548 4.740 0.023 0.000 0.248 25 N C 0.265 175.832 175.510 0.094 0.000 1.044 25 N CA 0.894 54.011 53.050 0.113 0.000 0.851 25 N CB -0.735 37.775 38.487 0.037 0.000 1.136 25 N HN 0.684 nan 8.380 nan 0.000 0.572 26 R N 1.196 121.674 120.500 -0.037 0.000 2.491 26 R HA 0.358 4.711 4.340 0.023 0.000 0.283 26 R C 0.455 176.607 176.300 -0.246 0.000 1.072 26 R CA -0.212 55.650 56.100 -0.397 0.000 1.048 26 R CB 0.486 30.536 30.300 -0.418 0.000 0.983 26 R HN 0.132 nan 8.270 nan 0.000 0.450 27 L N 3.037 124.097 121.223 -0.271 0.000 2.456 27 L HA 0.356 4.710 4.340 0.023 0.000 0.257 27 L C 0.647 177.459 176.870 -0.098 0.000 1.162 27 L CA -0.715 54.056 54.840 -0.114 0.000 0.808 27 L CB 0.923 42.945 42.059 -0.063 0.000 1.136 27 L HN 0.801 nan 8.230 nan 0.000 0.466 28 A N 1.195 123.997 122.820 -0.031 0.000 2.555 28 A HA 0.417 4.750 4.320 0.023 0.000 0.233 28 A C 0.277 177.853 177.584 -0.014 0.000 1.060 28 A CA 0.144 52.172 52.037 -0.015 0.000 0.759 28 A CB 0.027 19.050 19.000 0.038 0.000 0.995 28 A HN 0.780 nan 8.150 nan 0.000 0.506 29 A N 1.541 124.311 122.820 -0.083 0.000 2.304 29 A HA 0.726 5.060 4.320 0.023 0.000 0.271 29 A C 0.044 177.524 177.584 -0.173 0.000 1.091 29 A CA 0.326 52.236 52.037 -0.212 0.000 0.812 29 A CB 0.082 18.956 19.000 -0.210 0.000 1.056 29 A HN 1.878 nan 8.150 nan 0.000 0.489 30 H N -1.949 116.967 119.070 -0.257 0.000 2.917 30 H HA 0.657 5.227 4.556 0.023 0.000 0.299 30 H C -3.382 171.681 175.328 -0.442 0.000 1.418 30 H CA -1.872 53.969 56.048 -0.345 0.000 1.138 30 H CB 0.091 29.529 29.762 -0.539 0.000 1.830 30 H HN 0.379 nan 8.280 nan 0.000 0.514 31 P HA 0.209 nan 4.420 nan 0.000 0.274 31 P C -2.593 174.594 177.300 -0.189 0.000 1.256 31 P CA -1.475 61.468 63.100 -0.262 0.000 0.795 31 P CB -0.368 31.112 31.700 -0.366 0.000 1.038 32 P HA 0.063 nan 4.420 nan 0.000 0.261 32 P C -0.738 176.785 177.300 0.372 0.000 1.183 32 P CA 1.105 64.267 63.100 0.103 0.000 0.761 32 P CB -0.134 31.656 31.700 0.151 0.000 0.785 33 F N 1.305 121.345 119.950 0.150 0.000 2.579 33 F HA 0.619 5.160 4.527 0.023 0.000 0.324 33 F C 0.948 176.661 175.800 -0.145 0.000 1.058 33 F CA -1.075 56.946 58.000 0.035 0.000 0.944 33 F CB 2.259 41.234 39.000 -0.042 0.000 1.245 33 F HN 0.211 nan 8.300 nan 0.000 0.477 34 A N 0.209 122.921 122.820 -0.180 0.000 2.664 34 A HA 0.246 4.579 4.320 0.023 0.000 0.222 34 A C 0.571 177.827 177.584 -0.546 0.000 1.320 34 A CA 0.440 52.144 52.037 -0.555 0.000 1.029 34 A CB -0.069 18.130 19.000 -1.336 0.000 1.318 34 A HN 0.744 nan 8.150 nan 0.000 0.589 35 S N 0.440 115.923 115.700 -0.361 0.000 3.550 35 S HA -0.146 4.337 4.470 0.023 0.000 0.372 35 S C 0.028 174.531 174.600 -0.162 0.000 0.966 35 S CA 0.488 58.548 58.200 -0.234 0.000 1.229 35 S CB -1.554 61.537 63.200 -0.182 0.000 0.917 35 S HN 0.481 nan 8.310 nan 0.000 0.496 36 W N 1.328 122.609 121.300 -0.031 0.000 2.137 36 W HA 0.243 4.916 4.660 0.022 0.000 0.344 36 W C 1.337 177.831 176.519 -0.041 0.000 1.286 36 W CA -0.505 56.825 57.345 -0.026 0.000 1.240 36 W CB 0.189 29.634 29.460 -0.025 0.000 1.141 36 W HN 0.303 nan 8.180 nan 0.000 0.579 37 R N 1.739 122.365 120.500 0.209 0.000 2.577 37 R HA 0.091 4.445 4.340 0.023 0.000 0.344 37 R C -0.099 176.251 176.300 0.084 0.000 1.037 37 R CA -0.158 56.003 56.100 0.102 0.000 1.102 37 R CB -0.237 30.092 30.300 0.049 0.000 1.313 37 R HN 0.360 nan 8.270 nan 0.000 0.561 38 N N 0.116 118.878 118.700 0.103 0.000 2.454 38 N HA 0.113 4.867 4.740 0.023 0.000 0.291 38 N C -0.097 175.378 175.510 -0.058 0.000 1.079 38 N CA 0.006 53.065 53.050 0.014 0.000 0.893 38 N CB 1.793 40.283 38.487 0.005 0.000 1.512 38 N HN -0.243 nan 8.380 nan 0.000 0.497 39 S N 2.421 118.071 115.700 -0.083 0.000 2.382 39 S HA -0.171 4.313 4.470 0.023 0.000 0.228 39 S C 1.413 175.847 174.600 -0.275 0.000 1.027 39 S CA 1.165 59.279 58.200 -0.144 0.000 0.991 39 S CB -0.022 63.123 63.200 -0.091 0.000 0.823 39 S HN 0.773 nan 8.310 nan 0.000 0.469 40 E N 1.544 121.586 120.200 -0.263 0.000 2.204 40 E HA -0.135 4.229 4.350 0.023 0.000 0.194 40 E C 1.783 178.142 176.600 -0.401 0.000 0.989 40 E CA 1.025 57.224 56.400 -0.336 0.000 0.824 40 E CB -0.095 29.461 29.700 -0.239 0.000 0.756 40 E HN 0.331 nan 8.360 nan 0.000 0.477 41 E N 0.120 120.072 120.200 -0.414 0.000 2.107 41 E HA -0.066 4.298 4.350 0.023 0.000 0.191 41 E C 2.022 177.932 176.600 -1.150 0.000 0.982 41 E CA 1.040 57.118 56.400 -0.535 0.000 0.809 41 E CB -0.458 29.027 29.700 -0.358 0.000 0.756 41 E HN 0.386 nan 8.360 nan 0.000 0.459 42 A N 1.690 123.665 122.820 -1.408 0.000 1.933 42 A HA -0.179 4.154 4.320 0.023 0.000 0.218 42 A C 2.237 179.236 177.584 -0.974 0.000 1.175 42 A CA 1.556 52.471 52.037 -1.870 0.000 0.628 42 A CB -0.473 18.076 19.000 -0.753 0.000 0.814 42 A HN 0.111 nan 8.150 nan 0.000 0.444 43 R N -0.206 119.902 120.500 -0.654 0.000 2.081 43 R HA -0.129 4.225 4.340 0.023 0.000 0.235 43 R C 2.015 178.055 176.300 -0.434 0.000 1.131 43 R CA 2.045 57.824 56.100 -0.536 0.000 0.960 43 R CB -0.445 29.430 30.300 -0.707 0.000 0.856 43 R HN 0.633 nan 8.270 nan 0.000 0.436 44 T N -2.429 111.866 114.554 -0.431 0.000 3.148 44 T HA 0.019 4.383 4.350 0.023 0.000 0.253 44 T C 0.304 174.882 174.700 -0.204 0.000 1.134 44 T CA 0.573 62.507 62.100 -0.276 0.000 1.051 44 T CB 0.016 68.751 68.868 -0.222 0.000 0.959 44 T HN 0.344 nan 8.240 nan 0.000 0.525 45 D N 0.736 120.951 120.400 -0.309 0.000 2.870 45 D HA -0.154 4.500 4.640 0.023 0.000 0.228 45 D C -0.027 176.358 176.300 0.141 0.000 1.147 45 D CA 0.443 54.426 54.000 -0.029 0.000 0.757 45 D CB -1.199 39.654 40.800 0.089 0.000 1.091 45 D HN 0.585 nan 8.370 nan 0.000 0.429 46 R N 0.195 120.735 120.500 0.066 0.000 2.528 46 R HA 0.499 4.852 4.340 0.023 0.000 0.271 46 R C -2.078 174.471 176.300 0.416 0.000 1.056 46 R CA -1.510 54.697 56.100 0.177 0.000 1.117 46 R CB 0.437 30.773 30.300 0.062 0.000 1.085 46 R HN 0.049 nan 8.270 nan 0.000 0.530 47 P HA -0.082 nan 4.420 nan 0.000 0.265 47 P C -0.790 176.699 177.300 0.314 0.000 1.187 47 P CA 0.204 63.460 63.100 0.260 0.000 0.766 47 P CB 0.665 32.463 31.700 0.163 0.000 0.820 48 S N 2.029 117.836 115.700 0.178 0.000 2.437 48 S HA 0.138 4.622 4.470 0.023 0.000 0.305 48 S C 1.015 175.661 174.600 0.077 0.000 1.109 48 S CA -0.509 57.734 58.200 0.070 0.000 1.099 48 S CB 0.613 63.536 63.200 -0.461 0.000 1.004 48 S HN 0.188 nan 8.310 nan 0.000 0.475 49 Q N 2.746 122.621 119.800 0.124 0.000 2.297 49 Q HA -0.070 4.284 4.340 0.023 0.000 0.208 49 Q C 1.113 177.224 176.000 0.186 0.000 0.981 49 Q CA 1.570 57.464 55.803 0.152 0.000 0.876 49 Q CB -0.213 28.604 28.738 0.133 0.000 0.921 49 Q HN 0.766 nan 8.270 nan 0.000 0.446 50 Q N -0.810 119.017 119.800 0.044 0.000 2.320 50 Q HA 0.183 4.536 4.340 0.023 0.000 0.201 50 Q C -0.440 175.599 176.000 0.065 0.000 0.910 50 Q CA 0.037 55.806 55.803 -0.056 0.000 0.946 50 Q CB 0.397 29.002 28.738 -0.221 0.000 1.062 50 Q HN 0.058 nan 8.270 nan 0.000 0.503 51 L N 0.695 121.988 121.223 0.117 0.000 2.377 51 L HA 0.459 4.812 4.340 0.023 0.000 0.270 51 L C -1.225 175.748 176.870 0.172 0.000 0.991 51 L CA -0.432 54.482 54.840 0.124 0.000 0.851 51 L CB 1.075 43.118 42.059 -0.027 0.000 1.218 51 L HN -0.098 nan 8.230 nan 0.000 0.420 52 R N 2.608 123.240 120.500 0.219 0.000 2.589 52 R HA 0.604 4.958 4.340 0.023 0.000 0.293 52 R C -0.481 175.837 176.300 0.031 0.000 0.963 52 R CA -0.710 55.452 56.100 0.103 0.000 0.905 52 R CB 1.981 32.292 30.300 0.019 0.000 1.144 52 R HN 0.661 nan 8.270 nan 0.000 0.459 53 S N 2.322 118.032 115.700 0.016 0.000 2.537 53 S HA 0.249 4.733 4.470 0.023 0.000 0.275 53 S C 0.627 175.218 174.600 -0.015 0.000 1.272 53 S CA -0.639 57.560 58.200 -0.002 0.000 1.050 53 S CB 0.492 63.704 63.200 0.020 0.000 0.961 53 S HN 0.588 nan 8.310 nan 0.000 0.496 54 L N 3.486 124.700 121.223 -0.016 0.000 2.769 54 L HA 0.286 4.640 4.340 0.023 0.000 0.240 54 L C 0.270 177.275 176.870 0.226 0.000 1.163 54 L CA -0.427 54.421 54.840 0.013 0.000 0.962 54 L CB -0.347 41.669 42.059 -0.073 0.000 1.258 54 L HN 0.533 nan 8.230 nan 0.000 0.513 55 N N 1.473 120.255 118.700 0.137 0.000 2.416 55 N HA 0.402 5.155 4.740 0.023 0.000 0.246 55 N C 0.696 176.330 175.510 0.207 0.000 1.260 55 N CA 1.111 54.253 53.050 0.154 0.000 0.897 55 N CB 1.063 39.578 38.487 0.046 0.000 1.110 55 N HN 0.305 nan 8.380 nan 0.000 0.439 56 G N 0.197 109.141 108.800 0.241 0.000 2.260 56 G HA2 -0.098 3.876 3.960 0.023 0.000 0.250 56 G HA3 -0.098 3.876 3.960 0.023 0.000 0.250 56 G C -1.465 173.648 174.900 0.355 0.000 1.340 56 G CA -0.820 44.413 45.100 0.222 0.000 1.056 56 G HN 0.471 nan 8.290 nan 0.000 0.471 57 E N 0.180 120.544 120.200 0.273 0.000 2.217 57 E HA 0.408 4.772 4.350 0.023 0.000 0.279 57 E C -0.902 175.910 176.600 0.354 0.000 1.068 57 E CA 0.094 56.659 56.400 0.275 0.000 0.882 57 E CB 0.636 30.426 29.700 0.150 0.000 1.039 57 E HN 0.345 nan 8.360 nan 0.000 0.418 58 W N 1.879 123.263 121.300 0.140 0.000 2.850 58 W HA 0.392 5.066 4.660 0.023 0.000 0.349 58 W C 0.102 176.747 176.519 0.210 0.000 1.133 58 W CA -0.741 56.719 57.345 0.192 0.000 1.117 58 W CB 0.852 30.481 29.460 0.281 0.000 1.442 58 W HN 0.187 nan 8.180 nan 0.000 0.575 59 R N 1.605 122.390 120.500 0.475 0.000 2.368 59 R HA 0.584 4.938 4.340 0.023 0.000 0.302 59 R C -1.504 175.057 176.300 0.435 0.000 1.002 59 R CA -0.807 55.512 56.100 0.364 0.000 0.929 59 R CB 1.213 31.664 30.300 0.251 0.000 1.073 59 R HN 0.487 nan 8.270 nan 0.000 0.464 60 F N 0.509 120.503 119.950 0.074 0.000 2.596 60 F HA 0.577 5.117 4.527 0.023 0.000 0.311 60 F C -1.532 174.103 175.800 -0.274 0.000 1.116 60 F CA -0.543 57.350 58.000 -0.178 0.000 0.957 60 F CB 1.937 40.719 39.000 -0.363 0.000 1.250 60 F HN 0.622 nan 8.300 nan 0.000 0.444 61 A N 4.644 126.743 122.820 -1.201 0.000 2.422 61 A HA 0.581 4.915 4.320 0.023 0.000 0.302 61 A C -2.325 174.290 177.584 -1.615 0.000 1.041 61 A CA -0.529 50.862 52.037 -1.078 0.000 0.708 61 A CB 0.758 19.386 19.000 -0.619 0.000 1.257 61 A HN 0.915 nan 8.150 nan 0.000 0.414 62 W N 2.724 123.183 121.300 -1.403 0.000 2.438 62 W HA 0.731 5.404 4.660 0.023 0.000 0.324 62 W C -1.675 174.165 176.519 -1.132 0.000 1.119 62 W CA -0.293 56.346 57.345 -1.175 0.000 1.221 62 W CB 0.922 30.017 29.460 -0.608 0.000 1.253 62 W HN 0.496 nan 8.180 nan 0.000 0.555 63 F N 5.918 125.198 119.950 -1.117 0.000 2.577 63 F HA 0.389 4.930 4.527 0.023 0.000 0.318 63 F C -1.291 173.619 175.800 -1.483 0.000 1.065 63 F CA -2.307 55.134 58.000 -0.932 0.000 0.929 63 F CB 1.710 40.328 39.000 -0.636 0.000 1.237 63 F HN 0.205 nan 8.300 nan 0.000 0.468 64 P HA 0.178 nan 4.420 nan 0.000 0.240 64 P C -0.548 176.611 177.300 -0.234 0.000 1.190 64 P CA 0.660 63.447 63.100 -0.521 0.000 0.781 64 P CB 0.651 32.334 31.700 -0.028 0.000 0.931 65 A N -0.518 122.179 122.820 -0.205 0.000 2.590 65 A HA 0.489 4.822 4.320 0.023 0.000 0.294 65 A C -2.423 175.071 177.584 -0.150 0.000 1.046 65 A CA -0.933 51.044 52.037 -0.099 0.000 0.684 65 A CB 0.340 19.345 19.000 0.007 0.000 1.279 65 A HN -0.302 nan 8.150 nan 0.000 0.415 66 P HA -0.175 nan 4.420 nan 0.000 0.216 66 P C 0.849 178.063 177.300 -0.143 0.000 1.150 66 P CA 1.721 64.709 63.100 -0.187 0.000 0.843 66 P CB 0.233 31.818 31.700 -0.191 0.000 0.787 67 E N -0.043 120.133 120.200 -0.039 0.000 2.267 67 E HA -0.095 4.269 4.350 0.023 0.000 0.197 67 E C 1.991 178.521 176.600 -0.115 0.000 0.998 67 E CA 1.374 57.754 56.400 -0.034 0.000 0.830 67 E CB -0.870 28.845 29.700 0.025 0.000 0.751 67 E HN 0.266 nan 8.360 nan 0.000 0.491 68 A N 0.222 122.938 122.820 -0.174 0.000 2.251 68 A HA 0.122 4.456 4.320 0.023 0.000 0.209 68 A C 0.500 177.762 177.584 -0.536 0.000 1.187 68 A CA -0.165 51.750 52.037 -0.203 0.000 0.823 68 A CB 0.299 19.271 19.000 -0.047 0.000 0.846 68 A HN 0.019 nan 8.150 nan 0.000 0.486 69 V N 2.704 122.210 119.914 -0.682 0.000 2.455 69 V HA 0.222 4.355 4.120 0.023 0.000 0.273 69 V C -2.255 173.503 176.094 -0.560 0.000 1.045 69 V CA -1.548 60.122 62.300 -1.049 0.000 0.976 69 V CB 0.651 31.918 31.823 -0.926 0.000 0.993 69 V HN 0.281 nan 8.190 nan 0.000 0.475 70 P HA 0.224 nan 4.420 nan 0.000 0.271 70 P C 0.436 177.671 177.300 -0.108 0.000 1.216 70 P CA -0.341 62.642 63.100 -0.194 0.000 0.771 70 P CB 0.916 32.559 31.700 -0.096 0.000 0.864 71 E N 1.405 121.551 120.200 -0.090 0.000 2.130 71 E HA -0.209 4.155 4.350 0.023 0.000 0.196 71 E C 1.928 178.485 176.600 -0.072 0.000 0.998 71 E CA 1.972 58.319 56.400 -0.088 0.000 0.806 71 E CB -1.267 28.391 29.700 -0.070 0.000 0.738 71 E HN 0.613 nan 8.360 nan 0.000 0.459 72 S N 0.260 115.939 115.700 -0.035 0.000 2.389 72 S HA -0.283 4.200 4.470 0.023 0.000 0.231 72 S C 1.907 176.497 174.600 -0.017 0.000 1.052 72 S CA 1.381 59.569 58.200 -0.020 0.000 1.053 72 S CB -1.158 62.045 63.200 0.005 0.000 0.886 72 S HN 0.546 nan 8.310 nan 0.000 0.456 73 W N 2.235 123.442 121.300 -0.155 0.000 2.321 73 W HA -0.079 4.595 4.660 0.023 0.000 0.285 73 W C 1.697 178.101 176.519 -0.192 0.000 1.213 73 W CA 1.388 58.639 57.345 -0.156 0.000 1.205 73 W CB -0.353 28.997 29.460 -0.183 0.000 1.134 73 W HN 0.328 nan 8.180 nan 0.000 0.549 74 L N 0.085 121.077 121.223 -0.385 0.000 2.217 74 L HA -0.100 4.254 4.340 0.023 0.000 0.211 74 L C 2.109 178.735 176.870 -0.406 0.000 1.107 74 L CA 1.228 55.693 54.840 -0.625 0.000 0.783 74 L CB -0.536 41.162 42.059 -0.601 0.000 0.919 74 L HN 0.032 nan 8.230 nan 0.000 0.442 75 E N -1.180 118.868 120.200 -0.254 0.000 2.465 75 E HA 0.091 4.454 4.350 0.023 0.000 0.209 75 E C 0.223 176.741 176.600 -0.137 0.000 0.951 75 E CA 0.261 56.565 56.400 -0.159 0.000 0.997 75 E CB 1.039 30.682 29.700 -0.094 0.000 1.025 75 E HN 0.511 nan 8.360 nan 0.000 0.500 76 C N -0.578 118.638 119.300 -0.140 0.000 3.239 76 C HA 0.462 4.936 4.460 0.023 0.000 0.329 76 C C -0.481 174.482 174.990 -0.044 0.000 1.252 76 C CA -1.472 57.496 59.018 -0.083 0.000 1.323 76 C CB 1.145 28.861 27.740 -0.039 0.000 1.663 76 C HN 0.040 nan 8.230 nan 0.000 0.487 77 D N 0.674 121.071 120.400 -0.005 0.000 2.488 77 D HA 0.343 4.996 4.640 0.023 0.000 0.238 77 D C -0.344 176.022 176.300 0.111 0.000 1.138 77 D CA 0.401 54.444 54.000 0.071 0.000 0.873 77 D CB 0.508 41.343 40.800 0.059 0.000 1.183 77 D HN 0.575 nan 8.370 nan 0.000 0.458 78 L N 6.559 127.895 121.223 0.189 0.000 2.261 78 L HA 0.265 4.619 4.340 0.023 0.000 0.289 78 L C -1.170 175.761 176.870 0.103 0.000 1.059 78 L CA -1.515 53.419 54.840 0.156 0.000 0.816 78 L CB 1.276 43.453 42.059 0.195 0.000 1.191 78 L HN 0.480 nan 8.230 nan 0.000 0.431 79 P HA -0.267 nan 4.420 nan 0.000 0.222 79 P C 0.725 178.054 177.300 0.048 0.000 1.155 79 P CA 1.557 64.689 63.100 0.054 0.000 0.890 79 P CB 0.200 31.926 31.700 0.043 0.000 0.790 80 E N -0.609 119.617 120.200 0.043 0.000 2.482 80 E HA 0.206 4.569 4.350 0.023 0.000 0.196 80 E C 1.139 177.747 176.600 0.013 0.000 1.047 80 E CA 0.288 56.701 56.400 0.022 0.000 0.869 80 E CB -0.607 29.094 29.700 0.002 0.000 0.836 80 E HN 0.291 nan 8.360 nan 0.000 0.520 81 A N 1.139 123.978 122.820 0.032 0.000 2.327 81 A HA 0.200 4.534 4.320 0.023 0.000 0.255 81 A C -0.049 177.579 177.584 0.073 0.000 1.099 81 A CA -0.345 51.706 52.037 0.023 0.000 0.801 81 A CB 0.373 19.415 19.000 0.070 0.000 1.062 81 A HN -0.038 nan 8.150 nan 0.000 0.496 82 D N -0.640 119.828 120.400 0.113 0.000 2.392 82 D HA 0.522 5.175 4.640 0.023 0.000 0.246 82 D C -0.738 175.667 176.300 0.175 0.000 1.013 82 D CA -0.014 54.076 54.000 0.151 0.000 0.993 82 D CB 1.426 42.363 40.800 0.228 0.000 1.219 82 D HN 0.375 nan 8.370 nan 0.000 0.538 83 T N 0.547 115.188 114.554 0.145 0.000 2.744 83 T HA 0.515 4.879 4.350 0.023 0.000 0.291 83 T C 0.131 174.911 174.700 0.134 0.000 0.957 83 T CA -0.541 61.651 62.100 0.153 0.000 1.002 83 T CB 0.622 69.556 68.868 0.111 0.000 0.919 83 T HN 0.273 nan 8.240 nan 0.000 0.468 84 V N 1.236 121.257 119.914 0.180 0.000 3.160 84 V HA 0.805 4.938 4.120 0.023 0.000 0.310 84 V C -0.373 175.827 176.094 0.177 0.000 1.181 84 V CA -1.056 61.303 62.300 0.098 0.000 1.047 84 V CB 1.651 33.527 31.823 0.089 0.000 1.068 84 V HN 0.498 nan 8.190 nan 0.000 0.441 85 V N 1.662 121.662 119.914 0.142 0.000 2.649 85 V HA 0.539 4.673 4.120 0.023 0.000 0.292 85 V C 0.033 176.225 176.094 0.164 0.000 1.055 85 V CA -0.099 62.299 62.300 0.164 0.000 1.023 85 V CB 1.381 33.268 31.823 0.106 0.000 0.992 85 V HN 0.751 nan 8.190 nan 0.000 0.480 86 V N 6.776 126.717 119.914 0.046 0.000 2.656 86 V HA 0.471 4.605 4.120 0.023 0.000 0.307 86 V C -2.268 173.735 176.094 -0.151 0.000 1.051 86 V CA -1.711 60.471 62.300 -0.195 0.000 0.893 86 V CB 2.538 33.886 31.823 -0.792 0.000 0.999 86 V HN 0.763 nan 8.190 nan 0.000 0.426 87 P HA 0.452 nan 4.420 nan 0.000 0.274 87 P C -0.823 176.411 177.300 -0.111 0.000 1.237 87 P CA -0.106 62.877 63.100 -0.196 0.000 0.793 87 P CB 1.312 32.904 31.700 -0.181 0.000 0.977 88 S N -0.121 115.520 115.700 -0.098 0.000 2.627 88 S HA 0.374 4.857 4.470 0.023 0.000 0.268 88 S C -1.383 173.150 174.600 -0.111 0.000 1.130 88 S CA -1.045 57.074 58.200 -0.134 0.000 0.819 88 S CB 0.236 63.290 63.200 -0.242 0.000 1.100 88 S HN 0.350 nan 8.310 nan 0.000 0.465 89 N N 1.138 119.713 118.700 -0.208 0.000 2.424 89 N HA 0.423 5.177 4.740 0.023 0.000 0.271 89 N C 0.516 175.879 175.510 -0.245 0.000 0.985 89 N CA -0.820 52.089 53.050 -0.236 0.000 0.921 89 N CB 0.668 38.973 38.487 -0.303 0.000 1.149 89 N HN 0.849 nan 8.380 nan 0.000 0.492 90 W N 2.624 123.795 121.300 -0.215 0.000 2.387 90 W HA -0.117 4.557 4.660 0.023 0.000 0.272 90 W C 0.949 177.447 176.519 -0.036 0.000 1.224 90 W CA 0.762 57.984 57.345 -0.204 0.000 1.210 90 W CB -0.348 28.989 29.460 -0.205 0.000 1.125 90 W HN 0.494 nan 8.180 nan 0.000 0.572 91 Q N 0.572 120.340 119.800 -0.054 0.000 2.170 91 Q HA -0.125 4.229 4.340 0.023 0.000 0.203 91 Q C 2.199 178.155 176.000 -0.074 0.000 0.976 91 Q CA 1.951 57.732 55.803 -0.036 0.000 0.858 91 Q CB -0.617 27.974 28.738 -0.245 0.000 0.907 91 Q HN 0.304 nan 8.270 nan 0.000 0.433 92 M N -0.748 118.761 119.600 -0.150 0.000 2.557 92 M HA -0.063 4.431 4.480 0.023 0.000 0.259 92 M C 0.672 177.014 176.300 0.071 0.000 1.086 92 M CA 1.378 56.607 55.300 -0.118 0.000 1.096 92 M CB -0.592 31.912 32.600 -0.161 0.000 1.424 92 M HN 0.395 nan 8.290 nan 0.000 0.488 93 H N -0.927 118.173 119.070 0.050 0.000 2.586 93 H HA 0.275 4.844 4.556 0.023 0.000 0.273 93 H C 1.410 176.640 175.328 -0.164 0.000 0.997 93 H CA 0.121 56.187 56.048 0.029 0.000 1.177 93 H CB 0.495 30.384 29.762 0.211 0.000 1.471 93 H HN 0.557 nan 8.280 nan 0.000 0.538 94 G N 0.605 109.406 108.800 0.001 0.000 2.176 94 G HA2 -0.385 3.588 3.960 0.023 0.000 0.253 94 G HA3 -0.385 3.588 3.960 0.023 0.000 0.253 94 G C 0.498 175.247 174.900 -0.251 0.000 0.979 94 G CA 0.438 45.462 45.100 -0.127 0.000 0.641 94 G HN 0.452 nan 8.290 nan 0.000 0.530 95 Y N 1.834 122.141 120.300 0.011 0.000 2.151 95 Y HA 0.150 4.714 4.550 0.023 0.000 0.284 95 Y C 1.787 177.441 175.900 -0.409 0.000 1.166 95 Y CA 1.946 59.921 58.100 -0.208 0.000 1.163 95 Y CB -0.010 38.372 38.460 -0.131 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.002 118.450 120.400 0.086 0.000 2.596 96 D HA 0.510 5.164 4.640 0.023 0.000 0.262 96 D C -1.188 175.188 176.300 0.126 0.000 1.210 96 D CA -0.831 53.221 54.000 0.087 0.000 0.873 96 D CB 0.929 41.916 40.800 0.311 0.000 1.408 96 D HN 0.021 nan 8.370 nan 0.000 0.441 97 A N 0.607 123.506 122.820 0.132 0.000 2.366 97 A HA 0.623 4.957 4.320 0.023 0.000 0.272 97 A C -2.212 175.405 177.584 0.054 0.000 1.135 97 A CA -1.078 51.023 52.037 0.108 0.000 0.804 97 A CB -0.110 19.021 19.000 0.218 0.000 1.064 97 A HN 0.544 nan 8.150 nan 0.000 0.499 98 P HA 0.369 nan 4.420 nan 0.000 0.275 98 P C -0.815 176.642 177.300 0.262 0.000 1.228 98 P CA 0.136 63.187 63.100 -0.082 0.000 0.786 98 P CB 0.777 32.181 31.700 -0.494 0.000 0.927 99 I N 2.387 123.186 120.570 0.381 0.000 2.433 99 I HA 0.245 4.429 4.170 0.023 0.000 0.292 99 I C -0.422 175.846 176.117 0.252 0.000 1.001 99 I CA -0.978 60.543 61.300 0.368 0.000 1.119 99 I CB 1.572 39.731 38.000 0.264 0.000 1.289 99 I HN 0.293 nan 8.210 nan 0.000 0.438 100 Y N 6.236 126.435 120.300 -0.169 0.000 2.593 100 Y HA 0.489 5.053 4.550 0.022 0.000 0.331 100 Y C -0.304 175.414 175.900 -0.304 0.000 0.986 100 Y CA -0.595 57.124 58.100 -0.634 0.000 1.262 100 Y CB 0.983 38.548 38.460 -1.491 0.000 1.098 100 Y HN 0.541 nan 8.280 nan 0.000 0.506 101 T N 4.683 118.762 114.554 -0.790 0.000 2.863 101 T HA 0.267 4.631 4.350 0.023 0.000 0.285 101 T C 0.356 174.569 174.700 -0.812 0.000 1.009 101 T CA -0.554 61.081 62.100 -0.776 0.000 0.989 101 T CB 1.124 69.768 68.868 -0.374 0.000 1.004 101 T HN 0.768 nan 8.240 nan 0.000 0.455 102 N N 2.875 121.124 118.700 -0.751 0.000 2.202 102 N HA 0.034 4.788 4.740 0.023 0.000 0.191 102 N C 1.551 176.779 175.510 -0.470 0.000 1.054 102 N CA 1.595 54.346 53.050 -0.499 0.000 0.877 102 N CB -0.694 37.535 38.487 -0.429 0.000 1.057 102 N HN 0.379 nan 8.380 nan 0.000 0.456 103 V N 0.296 119.872 119.914 -0.564 0.000 2.492 103 V HA 0.100 4.234 4.120 0.023 0.000 0.241 103 V C 0.312 176.109 176.094 -0.495 0.000 1.041 103 V CA 0.954 62.851 62.300 -0.671 0.000 1.057 103 V CB -0.704 30.623 31.823 -0.828 0.000 0.711 103 V HN 0.366 nan 8.190 nan 0.000 0.468 104 T N 1.203 115.529 114.554 -0.380 0.000 2.871 104 T HA 0.073 4.437 4.350 0.023 0.000 0.296 104 T C -0.351 174.220 174.700 -0.216 0.000 0.998 104 T CA 0.270 62.223 62.100 -0.246 0.000 1.162 104 T CB -0.358 68.394 68.868 -0.193 0.000 0.947 104 T HN 0.192 nan 8.240 nan 0.000 0.536 105 Y N 4.888 125.091 120.300 -0.162 0.000 2.712 105 Y HA 0.094 4.657 4.550 0.022 0.000 0.333 105 Y C -0.855 174.919 175.900 -0.210 0.000 1.225 105 Y CA -1.719 56.278 58.100 -0.172 0.000 1.499 105 Y CB 0.448 38.809 38.460 -0.165 0.000 1.288 105 Y HN 0.536 nan 8.280 nan 0.000 0.575 106 P HA -0.036 nan 4.420 nan 0.000 0.242 106 P C -0.302 176.784 177.300 -0.357 0.000 1.197 106 P CA 1.095 64.096 63.100 -0.166 0.000 0.765 106 P CB -0.080 31.570 31.700 -0.084 0.000 0.936 107 I N -5.437 114.896 120.570 -0.394 0.000 2.892 107 I HA 0.474 4.658 4.170 0.023 0.000 0.306 107 I C -0.654 175.329 176.117 -0.224 0.000 1.078 107 I CA -1.177 59.857 61.300 -0.443 0.000 1.032 107 I CB 1.969 39.553 38.000 -0.694 0.000 1.229 107 I HN -0.465 nan 8.210 nan 0.000 0.435 108 T N 3.293 117.759 114.554 -0.148 0.000 2.934 108 T HA 0.111 4.475 4.350 0.023 0.000 0.306 108 T C 0.281 174.966 174.700 -0.025 0.000 1.042 108 T CA -0.163 61.902 62.100 -0.058 0.000 1.145 108 T CB 0.487 69.343 68.868 -0.020 0.000 0.982 108 T HN 0.390 nan 8.240 nan 0.000 0.544 109 V N 4.889 124.801 119.914 -0.003 0.000 2.381 109 V HA 0.224 4.358 4.120 0.023 0.000 0.257 109 V C 0.714 176.845 176.094 0.062 0.000 1.057 109 V CA -0.202 62.114 62.300 0.028 0.000 1.013 109 V CB -0.286 31.529 31.823 -0.013 0.000 1.069 109 V HN 0.879 nan 8.190 nan 0.000 0.484 110 N N 6.054 124.851 118.700 0.161 0.000 2.666 110 N HA 0.254 5.007 4.740 0.023 0.000 0.253 110 N C -2.938 172.672 175.510 0.167 0.000 1.621 110 N CA -1.194 51.950 53.050 0.156 0.000 0.785 110 N CB 1.504 40.116 38.487 0.208 0.000 1.332 110 N HN 0.275 nan 8.380 nan 0.000 0.514 111 P HA 0.223 nan 4.420 nan 0.000 0.269 111 P C -2.173 174.892 177.300 -0.392 0.000 1.209 111 P CA -0.785 61.901 63.100 -0.690 0.000 0.776 111 P CB 0.479 31.529 31.700 -1.083 0.000 0.876 112 P HA 0.180 nan 4.420 nan 0.000 0.253 112 P C -0.390 176.776 177.300 -0.224 0.000 1.459 112 P CA -0.147 62.750 63.100 -0.337 0.000 0.908 112 P CB -0.178 31.314 31.700 -0.346 0.000 1.470 113 F N 0.891 120.951 119.950 0.183 0.000 2.380 113 F HA 0.309 4.850 4.527 0.023 0.000 0.325 113 F C 1.355 177.320 175.800 0.274 0.000 1.136 113 F CA -0.796 57.321 58.000 0.195 0.000 1.171 113 F CB 0.633 39.692 39.000 0.097 0.000 1.230 113 F HN -0.211 nan 8.300 nan 0.000 0.554 114 V N -1.024 119.157 119.914 0.445 0.000 3.074 114 V HA 0.703 4.837 4.120 0.023 0.000 0.314 114 V C -2.754 173.494 176.094 0.256 0.000 1.117 114 V CA -2.869 59.615 62.300 0.306 0.000 1.014 114 V CB 1.415 33.474 31.823 0.393 0.000 1.057 114 V HN 0.488 nan 8.190 nan 0.000 0.438 115 P HA 0.186 nan 4.420 nan 0.000 0.267 115 P C 1.051 178.484 177.300 0.221 0.000 1.200 115 P CA 0.547 63.729 63.100 0.137 0.000 0.772 115 P CB 0.582 32.335 31.700 0.089 0.000 0.855 116 T N -1.662 112.994 114.554 0.170 0.000 2.904 116 T HA -0.079 4.285 4.350 0.023 0.000 0.267 116 T C 0.633 175.445 174.700 0.187 0.000 1.059 116 T CA 0.812 63.022 62.100 0.183 0.000 1.137 116 T CB -0.430 68.510 68.868 0.121 0.000 0.879 116 T HN 0.369 nan 8.240 nan 0.000 0.467 117 E N 2.548 122.854 120.200 0.177 0.000 1.941 117 E HA 0.211 4.575 4.350 0.023 0.000 0.275 117 E C -0.845 175.915 176.600 0.266 0.000 1.113 117 E CA -0.280 56.231 56.400 0.185 0.000 0.878 117 E CB 0.177 29.983 29.700 0.176 0.000 1.070 117 E HN 0.240 nan 8.360 nan 0.000 0.399 118 N N 4.716 123.556 118.700 0.232 0.000 2.623 118 N HA 0.241 4.994 4.740 0.023 0.000 0.256 118 N C -2.846 172.711 175.510 0.078 0.000 1.045 118 N CA -2.382 50.844 53.050 0.295 0.000 0.863 118 N CB 1.185 39.856 38.487 0.306 0.000 1.182 118 N HN 0.051 nan 8.380 nan 0.000 0.523 119 P HA -0.033 nan 4.420 nan 0.000 0.257 119 P C -0.821 176.394 177.300 -0.142 0.000 1.162 119 P CA 0.635 63.676 63.100 -0.099 0.000 0.762 119 P CB 0.282 32.246 31.700 0.440 0.000 0.753 120 T N 3.053 117.251 114.554 -0.593 0.000 2.786 120 T HA 0.530 4.894 4.350 0.023 0.000 0.283 120 T C 0.410 174.599 174.700 -0.852 0.000 0.992 120 T CA -0.550 61.260 62.100 -0.483 0.000 0.954 120 T CB 1.459 70.105 68.868 -0.370 0.000 0.934 120 T HN 0.325 nan 8.240 nan 0.000 0.440 121 G N 1.298 109.677 108.800 -0.701 0.000 2.329 121 G HA2 0.458 4.432 3.960 0.023 0.000 0.309 121 G HA3 0.458 4.432 3.960 0.023 0.000 0.309 121 G C -0.177 174.428 174.900 -0.491 0.000 1.110 121 G CA -0.356 44.217 45.100 -0.880 0.000 0.923 121 G HN 0.865 nan 8.290 nan 0.000 0.430 122 C N 3.394 122.160 119.300 -0.891 0.000 2.223 122 C HA 0.483 4.957 4.460 0.023 0.000 0.324 122 C C -0.429 174.497 174.990 -0.106 0.000 1.196 122 C CA -0.941 57.728 59.018 -0.581 0.000 1.628 122 C CB -1.622 25.298 27.740 -1.367 0.000 2.229 122 C HN 0.638 nan 8.230 nan 0.000 0.486 123 Y N 1.804 122.374 120.300 0.449 0.000 2.419 123 Y HA 0.669 5.233 4.550 0.023 0.000 0.328 123 Y C 0.809 177.179 175.900 0.783 0.000 1.162 123 Y CA -0.297 58.188 58.100 0.643 0.000 1.174 123 Y CB 1.411 40.226 38.460 0.591 0.000 1.228 123 Y HN 0.683 nan 8.280 nan 0.000 0.473 124 S N 1.569 117.785 115.700 0.860 0.000 2.570 124 S HA 0.788 5.272 4.470 0.023 0.000 0.270 124 S C -1.988 172.695 174.600 0.138 0.000 1.149 124 S CA -0.814 57.649 58.200 0.437 0.000 0.837 124 S CB 2.154 65.487 63.200 0.222 0.000 1.124 124 S HN 0.575 nan 8.310 nan 0.000 0.465 125 L N 0.856 121.978 121.223 -0.169 0.000 2.493 125 L HA 0.710 5.063 4.340 0.023 0.000 0.265 125 L C -1.147 175.681 176.870 -0.069 0.000 0.954 125 L CA 0.134 54.727 54.840 -0.411 0.000 0.844 125 L CB 2.357 43.715 42.059 -1.169 0.000 1.302 125 L HN 0.929 nan 8.230 nan 0.000 0.405 126 T N 5.691 120.228 114.554 -0.028 0.000 2.758 126 T HA 0.727 5.091 4.350 0.023 0.000 0.285 126 T C -0.829 173.920 174.700 0.081 0.000 0.981 126 T CA -0.032 62.084 62.100 0.027 0.000 0.965 126 T CB 0.161 69.008 68.868 -0.036 0.000 0.927 126 T HN 0.436 nan 8.240 nan 0.000 0.448 127 F N 1.078 120.930 119.950 -0.164 0.000 2.685 127 F HA 0.743 5.284 4.527 0.023 0.000 0.315 127 F C -0.738 174.983 175.800 -0.132 0.000 1.126 127 F CA -1.563 56.341 58.000 -0.159 0.000 0.950 127 F CB 1.275 40.154 39.000 -0.201 0.000 1.360 127 F HN 0.324 nan 8.300 nan 0.000 0.469 128 N N 0.248 118.856 118.700 -0.153 0.000 2.509 128 N HA 0.631 5.385 4.740 0.023 0.000 0.287 128 N C -1.825 173.560 175.510 -0.207 0.000 1.121 128 N CA -0.360 52.553 53.050 -0.227 0.000 0.977 128 N CB 1.789 40.204 38.487 -0.120 0.000 1.167 128 N HN 0.641 nan 8.380 nan 0.000 0.476 129 V N 2.234 121.998 119.914 -0.251 0.000 2.577 129 V HA 0.267 4.401 4.120 0.023 0.000 0.303 129 V C -0.908 175.081 176.094 -0.175 0.000 1.042 129 V CA -0.986 61.181 62.300 -0.221 0.000 0.872 129 V CB 1.752 33.487 31.823 -0.146 0.000 0.998 129 V HN 0.712 nan 8.190 nan 0.000 0.423 130 D N 2.872 123.131 120.400 -0.235 0.000 2.389 130 D HA 0.092 4.746 4.640 0.023 0.000 0.247 130 D C 1.036 177.370 176.300 0.056 0.000 1.128 130 D CA -0.036 53.915 54.000 -0.083 0.000 0.884 130 D CB 1.928 42.694 40.800 -0.056 0.000 1.194 130 D HN 0.752 nan 8.370 nan 0.000 0.441 131 E N 1.525 121.758 120.200 0.056 0.000 2.171 131 E HA -0.220 4.144 4.350 0.023 0.000 0.197 131 E C 1.560 178.240 176.600 0.133 0.000 0.997 131 E CA 1.715 58.165 56.400 0.083 0.000 0.810 131 E CB -0.071 29.658 29.700 0.048 0.000 0.738 131 E HN 0.397 nan 8.360 nan 0.000 0.467 132 S N -1.114 114.676 115.700 0.150 0.000 2.442 132 S HA -0.156 4.327 4.470 0.023 0.000 0.236 132 S C 1.631 176.318 174.600 0.146 0.000 1.007 132 S CA 0.940 59.222 58.200 0.136 0.000 0.965 132 S CB -0.745 62.531 63.200 0.128 0.000 0.773 132 S HN 0.436 nan 8.310 nan 0.000 0.504 133 W N 1.242 122.510 121.300 -0.054 0.000 2.770 133 W HA 0.459 5.133 4.660 0.023 0.000 0.256 133 W C 1.823 178.465 176.519 0.205 0.000 1.291 133 W CA -0.257 57.083 57.345 -0.009 0.000 1.396 133 W CB -0.212 29.298 29.460 0.083 0.000 1.114 133 W HN 0.293 nan 8.180 nan 0.000 0.637 134 L N -0.445 120.978 121.223 0.333 0.000 2.500 134 L HA 0.007 4.360 4.340 0.023 0.000 0.219 134 L C 2.528 179.494 176.870 0.160 0.000 1.057 134 L CA 0.505 55.485 54.840 0.233 0.000 0.854 134 L CB -0.823 41.337 42.059 0.169 0.000 1.078 134 L HN -0.051 nan 8.230 nan 0.000 0.480 135 Q N 2.026 121.906 119.800 0.133 0.000 2.439 135 Q HA -0.099 4.254 4.340 0.023 0.000 0.211 135 Q C 0.060 176.114 176.000 0.090 0.000 0.978 135 Q CA 0.828 56.686 55.803 0.091 0.000 0.897 135 Q CB -0.061 28.718 28.738 0.069 0.000 0.956 135 Q HN 0.667 nan 8.270 nan 0.000 0.483 136 E N -1.872 118.404 120.200 0.127 0.000 2.416 136 E HA 0.518 4.881 4.350 0.023 0.000 0.280 136 E C -0.274 176.436 176.600 0.183 0.000 1.055 136 E CA -0.755 55.715 56.400 0.116 0.000 0.825 136 E CB 0.963 30.715 29.700 0.087 0.000 1.312 136 E HN 0.159 nan 8.360 nan 0.000 0.452 137 G N 0.766 109.612 108.800 0.076 0.000 2.693 137 G HA2 -0.253 3.720 3.960 0.023 0.000 0.226 137 G HA3 -0.253 3.720 3.960 0.023 0.000 0.226 137 G C -0.803 174.001 174.900 -0.161 0.000 1.354 137 G CA 0.108 45.158 45.100 -0.084 0.000 0.873 137 G HN 0.779 nan 8.290 nan 0.000 0.562 138 Q N -0.612 118.946 119.800 -0.403 0.000 2.340 138 Q HA 0.641 4.994 4.340 0.023 0.000 0.268 138 Q C -0.980 174.851 176.000 -0.281 0.000 1.031 138 Q CA -0.490 55.178 55.803 -0.226 0.000 0.804 138 Q CB 1.591 30.233 28.738 -0.160 0.000 1.286 138 Q HN 0.601 nan 8.270 nan 0.000 0.448 139 T N 4.999 119.559 114.554 0.011 0.000 2.772 139 T HA 0.454 4.818 4.350 0.023 0.000 0.288 139 T C -0.687 174.132 174.700 0.198 0.000 0.994 139 T CA -0.601 61.617 62.100 0.198 0.000 0.951 139 T CB 0.395 69.537 68.868 0.456 0.000 0.933 139 T HN 0.629 nan 8.240 nan 0.000 0.447 140 R N 2.817 123.421 120.500 0.173 0.000 2.832 140 R HA 0.785 5.139 4.340 0.023 0.000 0.271 140 R C -0.956 175.442 176.300 0.163 0.000 0.996 140 R CA -1.006 55.193 56.100 0.164 0.000 0.977 140 R CB 1.479 31.848 30.300 0.116 0.000 1.168 140 R HN 0.527 nan 8.270 nan 0.000 0.482 141 I N 1.910 122.575 120.570 0.158 0.000 2.437 141 I HA 0.422 4.606 4.170 0.023 0.000 0.298 141 I C -1.077 175.067 176.117 0.044 0.000 0.984 141 I CA -1.210 60.119 61.300 0.049 0.000 1.214 141 I CB 1.280 39.299 38.000 0.033 0.000 1.365 141 I HN 0.617 nan 8.210 nan 0.000 0.469 142 I N 7.395 127.878 120.570 -0.145 0.000 2.410 142 I HA 0.270 4.453 4.170 0.023 0.000 0.286 142 I C -1.211 174.724 176.117 -0.303 0.000 1.009 142 I CA -0.271 60.965 61.300 -0.107 0.000 1.111 142 I CB 1.274 39.231 38.000 -0.073 0.000 1.262 142 I HN 0.381 nan 8.210 nan 0.000 0.443 143 F N 4.880 124.818 119.950 -0.021 0.000 2.335 143 F HA 0.241 4.782 4.527 0.022 0.000 0.365 143 F C 1.357 177.043 175.800 -0.189 0.000 1.122 143 F CA -0.378 57.533 58.000 -0.149 0.000 1.151 143 F CB 0.499 39.362 39.000 -0.229 0.000 1.282 143 F HN 0.474 nan 8.300 nan 0.000 0.513 144 D N 2.292 122.599 120.400 -0.155 0.000 2.219 144 D HA 0.018 4.672 4.640 0.023 0.000 0.205 144 D C 1.079 177.207 176.300 -0.287 0.000 0.970 144 D CA 0.884 54.751 54.000 -0.222 0.000 0.851 144 D CB 0.384 40.992 40.800 -0.321 0.000 0.943 144 D HN 0.601 nan 8.370 nan 0.000 0.488 145 G N -0.278 108.289 108.800 -0.389 0.000 2.608 145 G HA2 0.460 4.433 3.960 0.023 0.000 0.285 145 G HA3 0.460 4.433 3.960 0.023 0.000 0.285 145 G C -1.367 173.287 174.900 -0.410 0.000 1.407 145 G CA -0.361 44.371 45.100 -0.613 0.000 1.276 145 G HN -0.063 nan 8.290 nan 0.000 0.587 146 V N 2.695 122.579 119.914 -0.050 0.000 2.524 146 V HA 0.480 4.614 4.120 0.023 0.000 0.297 146 V C -0.847 175.360 176.094 0.188 0.000 1.035 146 V CA -1.208 61.085 62.300 -0.012 0.000 0.867 146 V CB 1.827 33.428 31.823 -0.370 0.000 1.004 146 V HN 0.676 nan 8.190 nan 0.000 0.426 147 N N 2.526 121.331 118.700 0.175 0.000 2.446 147 N HA 0.320 5.074 4.740 0.023 0.000 0.265 147 N C 0.688 176.141 175.510 -0.095 0.000 0.975 147 N CA 0.193 53.241 53.050 -0.003 0.000 0.928 147 N CB 2.208 40.533 38.487 -0.269 0.000 1.160 147 N HN 0.699 nan 8.380 nan 0.000 0.495 148 S N 1.913 117.587 115.700 -0.044 0.000 2.526 148 S HA 0.551 5.035 4.470 0.023 0.000 0.220 148 S C 0.323 174.983 174.600 0.101 0.000 1.017 148 S CA 0.020 58.244 58.200 0.041 0.000 0.930 148 S CB 0.372 63.605 63.200 0.055 0.000 0.856 148 S HN 0.634 nan 8.310 nan 0.000 0.497 149 A N 0.827 123.714 122.820 0.112 0.000 2.604 149 A HA 0.754 5.088 4.320 0.023 0.000 0.295 149 A C -1.281 176.366 177.584 0.105 0.000 1.067 149 A CA -0.962 51.098 52.037 0.039 0.000 0.683 149 A CB 0.863 19.914 19.000 0.085 0.000 1.281 149 A HN 1.078 nan 8.150 nan 0.000 0.407 150 F N -0.395 119.370 119.950 -0.309 0.000 2.693 150 F HA 0.752 5.293 4.527 0.023 0.000 0.309 150 F C -1.140 174.489 175.800 -0.284 0.000 1.129 150 F CA -0.780 57.100 58.000 -0.200 0.000 0.948 150 F CB 1.163 40.042 39.000 -0.202 0.000 1.315 150 F HN 0.617 nan 8.300 nan 0.000 0.447 151 H N 2.001 121.160 119.070 0.150 0.000 2.472 151 H HA 0.692 5.262 4.556 0.023 0.000 0.338 151 H C -1.431 173.802 175.328 -0.158 0.000 1.133 151 H CA -0.711 55.293 56.048 -0.074 0.000 1.216 151 H CB 2.465 32.137 29.762 -0.150 0.000 1.497 151 H HN 0.756 nan 8.280 nan 0.000 0.500 152 L N 3.192 124.142 121.223 -0.455 0.000 2.385 152 L HA 0.386 4.740 4.340 0.023 0.000 0.273 152 L C -1.570 174.964 176.870 -0.560 0.000 0.990 152 L CA -0.510 54.119 54.840 -0.351 0.000 0.821 152 L CB 1.297 42.984 42.059 -0.620 0.000 1.279 152 L HN 0.508 nan 8.230 nan 0.000 0.412 153 W N 4.333 125.588 121.300 -0.075 0.000 2.761 153 W HA 0.577 5.251 4.660 0.023 0.000 0.340 153 W C -1.099 175.359 176.519 -0.102 0.000 1.072 153 W CA -0.781 56.515 57.345 -0.082 0.000 1.215 153 W CB 2.074 31.523 29.460 -0.020 0.000 1.420 153 W HN 0.544 nan 8.180 nan 0.000 0.519 154 C N 5.091 124.463 119.300 0.120 0.000 2.383 154 C HA 0.279 4.753 4.460 0.023 0.000 0.330 154 C C 0.200 175.319 174.990 0.215 0.000 1.168 154 C CA -0.357 58.735 59.018 0.123 0.000 1.374 154 C CB -0.949 26.803 27.740 0.021 0.000 2.014 154 C HN 0.795 nan 8.230 nan 0.000 0.439 155 N N 3.703 122.486 118.700 0.138 0.000 2.740 155 N HA -0.188 4.566 4.740 0.023 0.000 0.248 155 N C 0.953 176.527 175.510 0.107 0.000 1.062 155 N CA 1.839 54.946 53.050 0.094 0.000 0.704 155 N CB -1.354 37.193 38.487 0.100 0.000 0.968 155 N HN 1.794 nan 8.380 nan 0.000 0.547 156 G N -0.938 107.918 108.800 0.094 0.000 2.184 156 G HA2 -0.369 3.604 3.960 0.023 0.000 0.264 156 G HA3 -0.369 3.604 3.960 0.023 0.000 0.264 156 G C 0.124 175.177 174.900 0.255 0.000 0.975 156 G CA 0.667 45.812 45.100 0.075 0.000 0.642 156 G HN 0.547 nan 8.290 nan 0.000 0.536 157 R N -0.899 119.825 120.500 0.373 0.000 2.338 157 R HA 0.397 4.751 4.340 0.023 0.000 0.317 157 R C -0.216 176.409 176.300 0.542 0.000 0.968 157 R CA -0.928 55.464 56.100 0.487 0.000 0.849 157 R CB 0.890 31.486 30.300 0.493 0.000 1.128 157 R HN 0.234 nan 8.270 nan 0.000 0.448 158 W N 4.287 125.780 121.300 0.321 0.000 2.308 158 W HA 0.028 4.701 4.660 0.023 0.000 0.324 158 W C 0.128 176.562 176.519 -0.141 0.000 1.387 158 W CA 0.081 57.353 57.345 -0.122 0.000 1.250 158 W CB 0.654 30.012 29.460 -0.171 0.000 1.257 158 W HN 0.348 nan 8.180 nan 0.000 0.554 159 V N 5.519 124.726 119.914 -1.178 0.000 2.490 159 V HA 0.516 4.650 4.120 0.023 0.000 0.238 159 V C 1.137 176.221 176.094 -1.683 0.000 1.056 159 V CA 1.146 62.685 62.300 -1.268 0.000 1.075 159 V CB -0.640 30.500 31.823 -1.139 0.000 0.746 159 V HN 0.810 nan 8.190 nan 0.000 0.479 160 G N -1.925 105.678 108.800 -1.996 0.000 2.428 160 G HA2 0.464 4.437 3.960 0.023 0.000 0.304 160 G HA3 0.464 4.437 3.960 0.023 0.000 0.304 160 G C -2.469 172.003 174.900 -0.713 0.000 1.303 160 G CA -0.355 43.986 45.100 -1.266 0.000 0.825 160 G HN 0.012 nan 8.290 nan 0.000 0.484 161 Y N -0.237 119.851 120.300 -0.354 0.000 2.492 161 Y HA 0.707 5.271 4.550 0.023 0.000 0.346 161 Y C 0.008 175.690 175.900 -0.363 0.000 0.997 161 Y CA -0.165 57.675 58.100 -0.433 0.000 1.025 161 Y CB 2.313 40.707 38.460 -0.110 0.000 1.263 161 Y HN 1.049 nan 8.280 nan 0.000 0.454 162 G N 4.366 112.255 108.800 -1.518 0.000 2.667 162 G HA2 0.597 4.571 3.960 0.023 0.000 0.298 162 G HA3 0.597 4.571 3.960 0.023 0.000 0.298 162 G C -1.974 172.459 174.900 -0.780 0.000 1.377 162 G CA -0.825 43.738 45.100 -0.895 0.000 0.964 162 G HN 0.623 nan 8.290 nan 0.000 0.493 163 Q N -0.097 119.496 119.800 -0.346 0.000 2.552 163 Q HA 0.588 4.942 4.340 0.023 0.000 0.289 163 Q C -1.363 174.633 176.000 -0.007 0.000 1.097 163 Q CA -0.837 54.887 55.803 -0.132 0.000 0.812 163 Q CB 2.674 31.391 28.738 -0.035 0.000 1.460 163 Q HN 0.629 nan 8.270 nan 0.000 0.452 164 D N -0.178 120.258 120.400 0.061 0.000 4.303 164 D HA -0.094 4.560 4.640 0.023 0.000 0.230 164 D C -0.555 175.813 176.300 0.114 0.000 1.172 164 D CA 0.501 54.555 54.000 0.089 0.000 1.001 164 D CB -0.685 40.152 40.800 0.062 0.000 0.641 164 D HN 0.551 nan 8.370 nan 0.000 0.296 165 S N 3.310 119.093 115.700 0.140 0.000 2.555 165 S HA -0.031 4.452 4.470 0.023 0.000 0.230 165 S C 1.588 176.331 174.600 0.238 0.000 0.978 165 S CA 0.323 58.638 58.200 0.192 0.000 0.934 165 S CB 0.304 63.596 63.200 0.154 0.000 0.766 165 S HN 0.491 nan 8.310 nan 0.000 0.533 166 R N 0.300 120.898 120.500 0.164 0.000 2.397 166 R HA 0.412 4.766 4.340 0.023 0.000 0.241 166 R C -0.202 176.159 176.300 0.101 0.000 0.914 166 R CA 0.113 56.305 56.100 0.152 0.000 1.071 166 R CB 0.095 30.501 30.300 0.177 0.000 1.116 166 R HN 0.355 nan 8.270 nan 0.000 0.524 167 L N 1.737 122.991 121.223 0.053 0.000 2.388 167 L HA 0.479 4.833 4.340 0.023 0.000 0.264 167 L C -2.417 174.432 176.870 -0.034 0.000 0.998 167 L CA -2.417 52.422 54.840 -0.001 0.000 0.817 167 L CB 2.617 44.667 42.059 -0.015 0.000 1.338 167 L HN -0.229 nan 8.230 nan 0.000 0.414 168 P HA 0.090 nan 4.420 nan 0.000 0.268 168 P C -0.911 176.357 177.300 -0.055 0.000 1.205 168 P CA -0.162 62.891 63.100 -0.078 0.000 0.771 168 P CB 0.958 32.570 31.700 -0.147 0.000 0.858 169 S N 1.572 117.302 115.700 0.050 0.000 2.478 169 S HA 0.331 4.815 4.470 0.023 0.000 0.312 169 S C -0.479 174.083 174.600 -0.064 0.000 1.094 169 S CA -0.549 57.639 58.200 -0.020 0.000 1.081 169 S CB 0.817 64.172 63.200 0.259 0.000 1.007 169 S HN 0.357 nan 8.310 nan 0.000 0.475 170 E N 1.827 121.793 120.200 -0.390 0.000 2.212 170 E HA 0.604 4.967 4.350 0.023 0.000 0.268 170 E C -1.464 174.794 176.600 -0.570 0.000 0.902 170 E CA -0.559 55.691 56.400 -0.250 0.000 0.779 170 E CB 1.607 31.250 29.700 -0.096 0.000 1.172 170 E HN 0.420 nan 8.360 nan 0.000 0.409 171 F N 0.638 120.644 119.950 0.093 0.000 2.569 171 F HA 0.202 4.743 4.527 0.023 0.000 0.312 171 F C -0.144 175.683 175.800 0.045 0.000 1.109 171 F CA -1.122 56.898 58.000 0.034 0.000 0.919 171 F CB 1.539 40.528 39.000 -0.019 0.000 1.211 171 F HN 0.259 nan 8.300 nan 0.000 0.446 172 D N 3.070 123.592 120.400 0.204 0.000 2.325 172 D HA 0.225 4.878 4.640 0.023 0.000 0.251 172 D C 0.373 176.816 176.300 0.239 0.000 1.196 172 D CA 0.300 54.412 54.000 0.186 0.000 0.866 172 D CB 1.004 41.894 40.800 0.150 0.000 1.101 172 D HN 0.587 nan 8.370 nan 0.000 0.476 173 L N 2.736 124.109 121.223 0.250 0.000 2.640 173 L HA 0.014 4.368 4.340 0.023 0.000 0.230 173 L C 2.169 179.292 176.870 0.422 0.000 1.123 173 L CA -0.184 54.854 54.840 0.329 0.000 0.900 173 L CB 0.003 42.214 42.059 0.253 0.000 1.146 173 L HN 0.292 nan 8.230 nan 0.000 0.484 174 S N 1.513 117.393 115.700 0.300 0.000 2.393 174 S HA -0.335 4.149 4.470 0.023 0.000 0.235 174 S C 2.100 176.812 174.600 0.188 0.000 1.061 174 S CA 2.091 60.423 58.200 0.220 0.000 1.129 174 S CB -0.232 63.053 63.200 0.142 0.000 1.011 174 S HN 0.582 nan 8.310 nan 0.000 0.436 175 A N -0.389 122.517 122.820 0.144 0.000 2.168 175 A HA 0.175 4.509 4.320 0.023 0.000 0.215 175 A C 1.554 179.017 177.584 -0.202 0.000 1.152 175 A CA 0.774 52.763 52.037 -0.081 0.000 0.716 175 A CB -0.517 18.326 19.000 -0.260 0.000 0.794 175 A HN 0.497 nan 8.150 nan 0.000 0.465 176 F N -0.586 119.409 119.950 0.074 0.000 2.714 176 F HA 0.337 4.878 4.527 0.023 0.000 0.294 176 F C 0.782 176.621 175.800 0.065 0.000 1.120 176 F CA -0.058 57.984 58.000 0.071 0.000 1.398 176 F CB -0.100 38.949 39.000 0.082 0.000 1.120 176 F HN -0.022 nan 8.300 nan 0.000 0.589 177 L N 0.827 122.204 121.223 0.258 0.000 2.416 177 L HA 0.494 4.848 4.340 0.023 0.000 0.262 177 L C 0.243 177.159 176.870 0.075 0.000 1.093 177 L CA -0.771 54.162 54.840 0.155 0.000 0.801 177 L CB 1.112 43.274 42.059 0.172 0.000 1.191 177 L HN 0.014 nan 8.230 nan 0.000 0.459 178 R N 0.989 121.496 120.500 0.011 0.000 2.771 178 R HA 0.782 5.135 4.340 0.023 0.000 0.274 178 R C -1.082 175.194 176.300 -0.041 0.000 0.987 178 R CA -0.878 55.218 56.100 -0.008 0.000 0.908 178 R CB 1.574 31.860 30.300 -0.023 0.000 1.213 178 R HN 0.565 nan 8.270 nan 0.000 0.468 179 A N 1.589 124.396 122.820 -0.022 0.000 2.546 179 A HA 0.475 4.808 4.320 0.023 0.000 0.243 179 A C 1.034 178.573 177.584 -0.075 0.000 1.063 179 A CA 1.173 53.188 52.037 -0.036 0.000 0.757 179 A CB -0.744 18.249 19.000 -0.011 0.000 0.991 179 A HN 1.408 nan 8.150 nan 0.000 0.503 180 G N 1.538 110.274 108.800 -0.107 0.000 2.464 180 G HA2 -0.074 3.900 3.960 0.023 0.000 0.216 180 G HA3 -0.074 3.900 3.960 0.023 0.000 0.216 180 G C -0.483 174.289 174.900 -0.214 0.000 1.186 180 G CA -0.178 44.844 45.100 -0.130 0.000 1.010 180 G HN 0.864 nan 8.290 nan 0.000 0.585 181 E N 2.178 122.258 120.200 -0.201 0.000 2.324 181 E HA 0.365 4.728 4.350 0.023 0.000 0.271 181 E C 0.224 176.614 176.600 -0.349 0.000 1.028 181 E CA 0.053 56.295 56.400 -0.262 0.000 0.890 181 E CB 0.494 30.094 29.700 -0.167 0.000 1.004 181 E HN 0.457 nan 8.360 nan 0.000 0.431 182 N N 2.247 120.579 118.700 -0.614 0.000 2.312 182 N HA 0.374 5.128 4.740 0.023 0.000 0.296 182 N C -0.625 174.643 175.510 -0.404 0.000 1.193 182 N CA -0.679 52.013 53.050 -0.597 0.000 0.773 182 N CB 2.496 40.501 38.487 -0.804 0.000 1.435 182 N HN 0.174 nan 8.380 nan 0.000 0.484 183 R N 1.654 122.082 120.500 -0.121 0.000 2.409 183 R HA 0.456 4.809 4.340 0.023 0.000 0.313 183 R C -1.023 175.360 176.300 0.139 0.000 0.953 183 R CA -0.455 55.659 56.100 0.024 0.000 0.849 183 R CB 0.707 30.978 30.300 -0.048 0.000 1.171 183 R HN 0.481 nan 8.270 nan 0.000 0.458 184 L N 3.082 124.426 121.223 0.202 0.000 2.357 184 L HA 0.665 5.019 4.340 0.023 0.000 0.273 184 L C -0.142 176.791 176.870 0.105 0.000 1.080 184 L CA -0.803 54.139 54.840 0.171 0.000 0.803 184 L CB 1.847 43.983 42.059 0.129 0.000 1.174 184 L HN 0.719 nan 8.230 nan 0.000 0.443 185 A N 3.241 126.142 122.820 0.135 0.000 2.332 185 A HA 0.695 5.029 4.320 0.023 0.000 0.300 185 A C -0.995 176.869 177.584 0.467 0.000 1.153 185 A CA -0.422 51.625 52.037 0.017 0.000 0.764 185 A CB 1.367 19.914 19.000 -0.755 0.000 1.174 185 A HN 0.376 nan 8.150 nan 0.000 0.467 186 V N 3.950 124.297 119.914 0.721 0.000 2.376 186 V HA 0.404 4.538 4.120 0.023 0.000 0.287 186 V C -0.051 176.551 176.094 0.847 0.000 1.015 186 V CA -0.217 62.497 62.300 0.690 0.000 0.834 186 V CB 1.375 33.406 31.823 0.346 0.000 1.001 186 V HN 0.956 nan 8.190 nan 0.000 0.428 187 M N 6.195 126.310 119.600 0.860 0.000 2.061 187 M HA 0.515 5.009 4.480 0.023 0.000 0.346 187 M C -1.274 175.267 176.300 0.402 0.000 1.112 187 M CA -0.381 55.248 55.300 0.548 0.000 1.021 187 M CB 1.067 34.025 32.600 0.595 0.000 1.530 187 M HN 0.444 nan 8.290 nan 0.000 0.437 188 V N 6.942 127.061 119.914 0.341 0.000 2.383 188 V HA 0.345 4.479 4.120 0.023 0.000 0.275 188 V C -0.029 176.223 176.094 0.263 0.000 1.036 188 V CA -0.615 61.894 62.300 0.348 0.000 0.889 188 V CB 1.162 33.302 31.823 0.528 0.000 0.985 188 V HN 0.790 nan 8.190 nan 0.000 0.459 189 L N 5.054 126.358 121.223 0.134 0.000 2.292 189 L HA 0.497 4.851 4.340 0.023 0.000 0.284 189 L C 1.586 178.477 176.870 0.036 0.000 1.065 189 L CA -0.329 54.522 54.840 0.019 0.000 0.806 189 L CB 1.082 43.039 42.059 -0.171 0.000 1.175 189 L HN 0.626 nan 8.230 nan 0.000 0.431 190 R N 2.709 123.193 120.500 -0.027 0.000 2.075 190 R HA -0.051 4.302 4.340 0.023 0.000 0.232 190 R C -0.413 175.582 176.300 -0.509 0.000 1.126 190 R CA 1.316 57.162 56.100 -0.423 0.000 0.963 190 R CB 0.244 30.135 30.300 -0.682 0.000 0.858 190 R HN 0.566 nan 8.270 nan 0.000 0.435 191 W N -0.178 121.190 121.300 0.113 0.000 2.761 191 W HA 0.413 5.087 4.660 0.022 0.000 0.340 191 W C -0.420 176.216 176.519 0.196 0.000 1.072 191 W CA -0.794 56.624 57.345 0.122 0.000 1.215 191 W CB 1.852 31.387 29.460 0.125 0.000 1.420 191 W HN -0.017 nan 8.180 nan 0.000 0.519 192 S N -1.086 114.895 115.700 0.468 0.000 2.643 192 S HA 0.211 4.695 4.470 0.023 0.000 0.270 192 S C 0.104 174.953 174.600 0.415 0.000 1.166 192 S CA -0.413 58.067 58.200 0.467 0.000 0.815 192 S CB 1.166 64.606 63.200 0.399 0.000 1.139 192 S HN 0.646 nan 8.310 nan 0.000 0.472 193 D N 0.469 121.123 120.400 0.423 0.000 2.265 193 D HA 0.046 4.700 4.640 0.023 0.000 0.208 193 D C 1.776 178.397 176.300 0.536 0.000 0.977 193 D CA 1.318 55.619 54.000 0.501 0.000 0.871 193 D CB -0.669 40.295 40.800 0.274 0.000 0.925 193 D HN 0.695 nan 8.370 nan 0.000 0.485 194 G N 0.266 109.294 108.800 0.379 0.000 2.422 194 G HA2 -0.273 3.701 3.960 0.023 0.000 0.218 194 G HA3 -0.273 3.701 3.960 0.023 0.000 0.218 194 G C 1.730 176.821 174.900 0.319 0.000 1.146 194 G CA 0.764 46.062 45.100 0.330 0.000 0.769 194 G HN 0.327 nan 8.290 nan 0.000 0.547 195 S N 0.145 116.017 115.700 0.285 0.000 2.440 195 S HA -0.165 4.319 4.470 0.023 0.000 0.240 195 S C 1.887 176.619 174.600 0.220 0.000 1.014 195 S CA 1.009 59.358 58.200 0.248 0.000 0.980 195 S CB -0.451 62.900 63.200 0.251 0.000 0.775 195 S HN 0.560 nan 8.310 nan 0.000 0.499 196 Y N 0.985 121.433 120.300 0.246 0.000 2.421 196 Y HA 0.087 4.650 4.550 0.023 0.000 0.292 196 Y C 1.614 177.630 175.900 0.194 0.000 1.136 196 Y CA 0.614 58.784 58.100 0.116 0.000 1.255 196 Y CB -0.188 38.162 38.460 -0.183 0.000 0.991 196 Y HN 0.211 nan 8.280 nan 0.000 0.552 197 L N -0.422 121.000 121.223 0.332 0.000 2.728 197 L HA 0.152 4.505 4.340 0.023 0.000 0.238 197 L C 0.037 177.048 176.870 0.236 0.000 1.143 197 L CA 0.348 55.339 54.840 0.250 0.000 0.937 197 L CB 0.149 42.362 42.059 0.257 0.000 1.225 197 L HN 0.111 nan 8.230 nan 0.000 0.507 198 E N -0.057 120.295 120.200 0.253 0.000 3.388 198 E HA 0.046 4.410 4.350 0.023 0.000 0.214 198 E C -0.451 176.255 176.600 0.175 0.000 1.040 198 E CA -0.075 56.458 56.400 0.221 0.000 1.327 198 E CB 0.497 30.323 29.700 0.209 0.000 1.243 198 E HN 0.030 nan 8.360 nan 0.000 0.444 199 D N 1.071 121.531 120.400 0.100 0.000 2.561 199 D HA 0.035 4.688 4.640 0.023 0.000 0.232 199 D C -0.275 176.009 176.300 -0.027 0.000 1.198 199 D CA -0.115 53.833 54.000 -0.087 0.000 0.826 199 D CB 0.166 40.660 40.800 -0.509 0.000 0.992 199 D HN 0.080 nan 8.370 nan 0.000 0.490 200 Q N 0.515 120.391 119.800 0.127 0.000 2.361 200 Q HA 0.103 4.457 4.340 0.023 0.000 0.276 200 Q C -0.061 176.046 176.000 0.180 0.000 1.022 200 Q CA 0.079 56.020 55.803 0.230 0.000 0.898 200 Q CB 0.614 29.645 28.738 0.488 0.000 1.246 200 Q HN 0.047 nan 8.270 nan 0.000 0.410 201 D N 3.564 124.085 120.400 0.202 0.000 2.441 201 D HA 0.153 4.806 4.640 0.023 0.000 0.243 201 D C -0.720 175.741 176.300 0.267 0.000 1.257 201 D CA 0.147 54.248 54.000 0.168 0.000 1.027 201 D CB -0.400 40.463 40.800 0.105 0.000 1.084 201 D HN 0.507 nan 8.370 nan 0.000 0.514 202 M N 0.230 119.950 119.600 0.200 0.000 3.147 202 M HA 0.372 4.866 4.480 0.023 0.000 0.276 202 M C -1.305 175.055 176.300 0.101 0.000 1.211 202 M CA -1.175 54.160 55.300 0.058 0.000 0.820 202 M CB 0.919 33.473 32.600 -0.077 0.000 1.621 202 M HN -0.097 nan 8.290 nan 0.000 0.507 203 W N 1.935 123.307 121.300 0.120 0.000 2.193 203 W HA 0.363 5.037 4.660 0.023 0.000 0.338 203 W C 0.241 176.773 176.519 0.021 0.000 1.310 203 W CA 0.054 57.462 57.345 0.105 0.000 1.243 203 W CB 0.318 29.777 29.460 -0.002 0.000 1.165 203 W HN 0.277 nan 8.180 nan 0.000 0.566 204 R N 4.550 125.202 120.500 0.254 0.000 2.215 204 R HA 0.464 4.818 4.340 0.023 0.000 0.336 204 R C -0.132 176.164 176.300 -0.006 0.000 0.996 204 R CA -0.341 55.830 56.100 0.117 0.000 0.847 204 R CB 0.440 30.868 30.300 0.214 0.000 1.127 204 R HN 0.554 nan 8.270 nan 0.000 0.465 205 M N 0.327 119.813 119.600 -0.190 0.000 2.777 205 M HA 0.539 5.033 4.480 0.023 0.000 0.288 205 M C -0.028 175.916 176.300 -0.594 0.000 1.181 205 M CA -0.895 54.175 55.300 -0.385 0.000 0.758 205 M CB 2.249 34.630 32.600 -0.364 0.000 1.757 205 M HN 0.639 nan 8.290 nan 0.000 0.453 206 S N -1.244 113.971 115.700 -0.807 0.000 2.611 206 S HA 0.941 5.425 4.470 0.023 0.000 0.268 206 S C -0.599 173.547 174.600 -0.757 0.000 1.156 206 S CA -0.163 57.498 58.200 -0.898 0.000 0.817 206 S CB 1.847 64.309 63.200 -1.231 0.000 1.122 206 S HN 1.483 nan 8.310 nan 0.000 0.466 207 G N -0.012 108.609 108.800 -0.299 0.000 2.331 207 G HA2 0.168 4.142 3.960 0.023 0.000 0.402 207 G HA3 0.168 4.142 3.960 0.023 0.000 0.402 207 G C -1.450 173.488 174.900 0.063 0.000 1.275 207 G CA -0.613 44.611 45.100 0.207 0.000 1.003 207 G HN 1.150 nan 8.290 nan 0.000 0.500 208 I N 2.115 122.554 120.570 -0.219 0.000 2.241 208 I HA 0.268 4.451 4.170 0.023 0.000 0.294 208 I C 1.082 177.064 176.117 -0.224 0.000 1.145 208 I CA -0.142 60.917 61.300 -0.402 0.000 1.261 208 I CB -0.285 37.178 38.000 -0.894 0.000 1.475 208 I HN 0.517 nan 8.210 nan 0.000 0.533 209 F N 4.466 124.270 119.950 -0.244 0.000 2.695 209 F HA 0.454 4.994 4.527 0.022 0.000 0.303 209 F C 0.613 176.332 175.800 -0.135 0.000 1.091 209 F CA -0.547 57.341 58.000 -0.186 0.000 1.300 209 F CB 0.137 39.034 39.000 -0.172 0.000 1.071 209 F HN 0.148 nan 8.300 nan 0.000 0.578 210 R N 0.328 120.402 120.500 -0.709 0.000 2.905 210 R HA 0.235 4.588 4.340 0.023 0.000 0.260 210 R C -0.792 175.281 176.300 -0.378 0.000 1.086 210 R CA -1.188 54.587 56.100 -0.542 0.000 0.978 210 R CB 0.729 30.632 30.300 -0.662 0.000 1.215 210 R HN -0.030 nan 8.270 nan 0.000 0.480 211 D N 0.928 121.153 120.400 -0.292 0.000 2.478 211 D HA 0.071 4.724 4.640 0.023 0.000 0.234 211 D C -0.398 175.744 176.300 -0.265 0.000 1.154 211 D CA 0.538 54.403 54.000 -0.225 0.000 0.874 211 D CB 0.640 41.346 40.800 -0.157 0.000 1.198 211 D HN 0.004 nan 8.370 nan 0.000 0.455 212 V N 1.084 120.854 119.914 -0.239 0.000 2.487 212 V HA 0.547 4.681 4.120 0.023 0.000 0.298 212 V C 0.069 176.033 176.094 -0.216 0.000 1.028 212 V CA -0.578 61.526 62.300 -0.327 0.000 0.860 212 V CB 1.547 33.175 31.823 -0.325 0.000 0.991 212 V HN 0.763 nan 8.190 nan 0.000 0.427 213 S N 4.626 120.170 115.700 -0.259 0.000 2.596 213 S HA 0.827 5.311 4.470 0.023 0.000 0.270 213 S C -1.367 173.162 174.600 -0.118 0.000 1.155 213 S CA -0.943 57.175 58.200 -0.138 0.000 0.827 213 S CB 1.805 64.965 63.200 -0.066 0.000 1.130 213 S HN 0.458 nan 8.310 nan 0.000 0.467 214 L N 1.635 122.854 121.223 -0.006 0.000 2.313 214 L HA 0.697 5.051 4.340 0.023 0.000 0.283 214 L C -1.217 175.857 176.870 0.341 0.000 1.013 214 L CA -0.776 54.153 54.840 0.149 0.000 0.816 214 L CB 1.587 43.724 42.059 0.130 0.000 1.236 214 L HN 0.705 nan 8.230 nan 0.000 0.419 215 L N 3.327 124.735 121.223 0.308 0.000 2.362 215 L HA 0.496 4.849 4.340 0.023 0.000 0.275 215 L C -0.776 176.152 176.870 0.097 0.000 0.998 215 L CA -0.141 54.823 54.840 0.206 0.000 0.820 215 L CB 1.524 43.646 42.059 0.105 0.000 1.270 215 L HN 0.496 nan 8.230 nan 0.000 0.415 216 H N 5.292 124.179 119.070 -0.306 0.000 2.476 216 H HA 0.513 5.083 4.556 0.023 0.000 0.328 216 H C -1.317 173.811 175.328 -0.332 0.000 1.073 216 H CA -0.574 55.165 56.048 -0.516 0.000 1.229 216 H CB 1.173 30.109 29.762 -1.376 0.000 1.432 216 H HN 0.587 nan 8.280 nan 0.000 0.477 217 K N 5.249 125.296 120.400 -0.589 0.000 2.395 217 K HA 0.389 4.722 4.320 0.023 0.000 0.247 217 K C -2.799 173.564 176.600 -0.395 0.000 0.973 217 K CA -1.992 54.093 56.287 -0.337 0.000 0.828 217 K CB 2.190 34.561 32.500 -0.215 0.000 1.272 217 K HN 0.457 nan 8.250 nan 0.000 0.439 218 P HA 0.183 nan 4.420 nan 0.000 0.276 218 P C 0.395 177.631 177.300 -0.107 0.000 1.252 218 P CA -0.246 62.794 63.100 -0.100 0.000 0.802 218 P CB 0.457 32.137 31.700 -0.034 0.000 1.035 219 T N -1.249 113.265 114.554 -0.067 0.000 2.867 219 T HA -0.023 4.341 4.350 0.023 0.000 0.268 219 T C 0.551 175.218 174.700 -0.055 0.000 1.057 219 T CA 1.522 63.588 62.100 -0.057 0.000 1.136 219 T CB -0.550 68.301 68.868 -0.028 0.000 0.874 219 T HN 0.420 nan 8.240 nan 0.000 0.466 220 T N 3.852 118.381 114.554 -0.042 0.000 2.762 220 T HA 0.456 4.820 4.350 0.023 0.000 0.303 220 T C -0.226 174.444 174.700 -0.050 0.000 0.977 220 T CA -0.650 61.422 62.100 -0.046 0.000 0.961 220 T CB 0.573 69.430 68.868 -0.017 0.000 0.944 220 T HN 0.483 nan 8.240 nan 0.000 0.481 221 Q N 2.306 122.061 119.800 -0.075 0.000 2.565 221 Q HA 0.600 4.953 4.340 0.023 0.000 0.294 221 Q C -1.243 174.704 176.000 -0.088 0.000 1.005 221 Q CA -1.202 54.546 55.803 -0.091 0.000 0.771 221 Q CB 1.256 29.921 28.738 -0.121 0.000 1.486 221 Q HN 0.445 nan 8.270 nan 0.000 0.422 222 I N 2.720 123.210 120.570 -0.132 0.000 2.421 222 I HA 0.014 4.198 4.170 0.023 0.000 0.291 222 I C 0.837 176.872 176.117 -0.137 0.000 1.089 222 I CA 0.025 61.254 61.300 -0.118 0.000 1.354 222 I CB 0.936 38.805 38.000 -0.219 0.000 1.413 222 I HN 0.840 nan 8.210 nan 0.000 0.513 223 S N 2.710 118.429 115.700 0.033 0.000 2.535 223 S HA 0.169 4.652 4.470 0.023 0.000 0.214 223 S C 0.206 175.009 174.600 0.338 0.000 0.980 223 S CA -0.212 58.078 58.200 0.150 0.000 0.907 223 S CB 0.144 63.386 63.200 0.070 0.000 0.790 223 S HN 0.735 nan 8.310 nan 0.000 0.510 224 D N -0.391 120.224 120.400 0.358 0.000 2.783 224 D HA 0.434 5.088 4.640 0.023 0.000 0.253 224 D C -1.922 174.575 176.300 0.330 0.000 1.206 224 D CA -0.701 53.526 54.000 0.378 0.000 0.740 224 D CB 1.098 42.008 40.800 0.183 0.000 1.313 224 D HN 0.215 nan 8.370 nan 0.000 0.427 225 F N -0.529 119.488 119.950 0.112 0.000 2.635 225 F HA 0.593 5.133 4.527 0.023 0.000 0.314 225 F C -1.518 174.338 175.800 0.093 0.000 1.119 225 F CA -0.839 57.147 58.000 -0.024 0.000 1.000 225 F CB 1.178 40.206 39.000 0.046 0.000 1.278 225 F HN 0.226 nan 8.300 nan 0.000 0.446 226 H N 2.248 121.387 119.070 0.114 0.000 2.505 226 H HA 0.702 5.272 4.556 0.023 0.000 0.338 226 H C -1.167 174.204 175.328 0.070 0.000 1.057 226 H CA -1.496 54.557 56.048 0.008 0.000 1.202 226 H CB 2.448 32.203 29.762 -0.012 0.000 1.466 226 H HN 0.596 nan 8.280 nan 0.000 0.499 227 V N 2.715 122.723 119.914 0.158 0.000 2.370 227 V HA 0.570 4.704 4.120 0.023 0.000 0.283 227 V C -0.070 176.022 176.094 -0.003 0.000 1.023 227 V CA -0.509 61.842 62.300 0.085 0.000 0.857 227 V CB 1.075 32.945 31.823 0.077 0.000 0.985 227 V HN 0.932 nan 8.190 nan 0.000 0.443 228 A N 3.715 126.518 122.820 -0.030 0.000 2.350 228 A HA 0.916 5.250 4.320 0.023 0.000 0.324 228 A C -0.015 177.484 177.584 -0.141 0.000 1.118 228 A CA -0.520 51.480 52.037 -0.063 0.000 0.783 228 A CB 1.677 20.664 19.000 -0.023 0.000 1.236 228 A HN 0.876 nan 8.150 nan 0.000 0.457 229 T N 0.193 114.644 114.554 -0.172 0.000 2.840 229 T HA 0.748 5.111 4.350 0.023 0.000 0.287 229 T C -0.492 174.042 174.700 -0.276 0.000 0.991 229 T CA -0.730 61.181 62.100 -0.314 0.000 0.964 229 T CB 1.016 69.572 68.868 -0.520 0.000 0.954 229 T HN 0.699 nan 8.240 nan 0.000 0.438 230 R N 1.902 122.163 120.500 -0.399 0.000 2.803 230 R HA 0.818 5.172 4.340 0.023 0.000 0.276 230 R C -1.203 174.797 176.300 -0.500 0.000 0.978 230 R CA -0.740 55.222 56.100 -0.230 0.000 0.939 230 R CB 1.578 31.835 30.300 -0.071 0.000 1.179 230 R HN 0.548 nan 8.270 nan 0.000 0.472 231 F N 0.150 120.117 119.950 0.028 0.000 2.611 231 F HA 0.395 4.934 4.527 0.021 0.000 0.324 231 F C 0.503 176.194 175.800 -0.182 0.000 1.061 231 F CA -1.099 56.870 58.000 -0.053 0.000 0.954 231 F CB 1.038 39.980 39.000 -0.097 0.000 1.301 231 F HN 0.557 nan 8.300 nan 0.000 0.482 232 N N 0.003 118.708 118.700 0.008 0.000 2.374 232 N HA 0.041 4.795 4.740 0.023 0.000 0.284 232 N C 0.584 175.940 175.510 -0.256 0.000 1.280 232 N CA 0.032 53.032 53.050 -0.085 0.000 0.963 232 N CB -0.135 38.325 38.487 -0.045 0.000 1.141 232 N HN 0.671 nan 8.380 nan 0.000 0.565 233 D N -1.115 119.177 120.400 -0.180 0.000 2.123 233 D HA -0.236 4.418 4.640 0.023 0.000 0.196 233 D C 0.276 176.440 176.300 -0.226 0.000 0.992 233 D CA 1.714 55.598 54.000 -0.193 0.000 0.833 233 D CB -0.644 40.110 40.800 -0.076 0.000 0.954 233 D HN 0.722 nan 8.370 nan 0.000 0.455 234 D N -1.620 118.713 120.400 -0.111 0.000 2.463 234 D HA 0.044 4.698 4.640 0.023 0.000 0.224 234 D C 0.054 176.475 176.300 0.203 0.000 1.174 234 D CA -0.973 53.068 54.000 0.068 0.000 0.829 234 D CB -1.208 39.649 40.800 0.095 0.000 0.993 234 D HN 0.241 nan 8.370 nan 0.000 0.497 235 F N 0.425 120.433 119.950 0.097 0.000 3.057 235 F HA -0.288 4.252 4.527 0.022 0.000 0.287 235 F C 1.537 177.433 175.800 0.160 0.000 0.834 235 F CA 0.808 58.889 58.000 0.136 0.000 1.147 235 F CB -2.433 36.541 39.000 -0.044 0.000 1.245 235 F HN 0.222 nan 8.300 nan 0.000 0.509 236 S N -1.048 114.777 115.700 0.209 0.000 2.548 236 S HA 0.249 4.733 4.470 0.023 0.000 0.215 236 S C 0.605 175.267 174.600 0.103 0.000 0.976 236 S CA -0.212 58.074 58.200 0.143 0.000 0.908 236 S CB 0.433 63.688 63.200 0.092 0.000 0.781 236 S HN 0.368 nan 8.310 nan 0.000 0.519 237 R N 0.678 121.247 120.500 0.115 0.000 2.604 237 R HA 0.804 5.157 4.340 0.023 0.000 0.281 237 R C -1.372 174.959 176.300 0.052 0.000 1.020 237 R CA -0.405 55.725 56.100 0.050 0.000 0.899 237 R CB 1.949 32.256 30.300 0.012 0.000 1.205 237 R HN 0.209 nan 8.270 nan 0.000 0.450 238 A N 1.774 124.558 122.820 -0.060 0.000 2.498 238 A HA 0.713 5.046 4.320 0.023 0.000 0.298 238 A C -1.087 176.404 177.584 -0.154 0.000 1.075 238 A CA -0.721 51.184 52.037 -0.221 0.000 0.714 238 A CB 2.213 21.034 19.000 -0.300 0.000 1.299 238 A HN 0.340 nan 8.150 nan 0.000 0.407 239 V N 1.891 121.695 119.914 -0.184 0.000 2.378 239 V HA 0.407 4.540 4.120 0.023 0.000 0.288 239 V C -0.446 175.592 176.094 -0.094 0.000 1.016 239 V CA -0.318 61.919 62.300 -0.104 0.000 0.840 239 V CB 1.236 33.007 31.823 -0.087 0.000 0.994 239 V HN 0.787 nan 8.190 nan 0.000 0.431 240 L N 4.702 125.909 121.223 -0.026 0.000 2.265 240 L HA 0.569 4.923 4.340 0.023 0.000 0.288 240 L C 0.023 176.865 176.870 -0.046 0.000 1.058 240 L CA 0.211 55.024 54.840 -0.046 0.000 0.809 240 L CB 0.998 43.065 42.059 0.013 0.000 1.179 240 L HN 0.713 nan 8.230 nan 0.000 0.429 241 E N 3.988 124.155 120.200 -0.054 0.000 2.165 241 E HA 0.614 4.977 4.350 0.023 0.000 0.266 241 E C -1.267 175.334 176.600 0.002 0.000 0.889 241 E CA -0.731 55.654 56.400 -0.025 0.000 0.756 241 E CB 1.670 31.355 29.700 -0.024 0.000 1.131 241 E HN 0.701 nan 8.360 nan 0.000 0.411 242 A N 4.587 127.413 122.820 0.010 0.000 2.293 242 A HA 0.248 4.582 4.320 0.023 0.000 0.312 242 A C -0.427 177.172 177.584 0.025 0.000 1.309 242 A CA -0.596 51.468 52.037 0.046 0.000 0.839 242 A CB 0.682 19.711 19.000 0.048 0.000 1.155 242 A HN 0.698 nan 8.150 nan 0.000 0.501 243 E N 2.780 122.993 120.200 0.022 0.000 2.229 243 E HA 0.476 4.840 4.350 0.023 0.000 0.283 243 E C -1.226 175.336 176.600 -0.064 0.000 1.030 243 E CA -0.253 56.120 56.400 -0.045 0.000 0.836 243 E CB 0.890 30.540 29.700 -0.082 0.000 1.068 243 E HN 0.361 nan 8.360 nan 0.000 0.401 244 V N 4.993 124.899 119.914 -0.013 0.000 2.540 244 V HA 0.276 4.409 4.120 0.023 0.000 0.302 244 V C -0.420 175.763 176.094 0.149 0.000 1.035 244 V CA -0.825 61.514 62.300 0.064 0.000 0.873 244 V CB 1.671 33.515 31.823 0.036 0.000 0.992 244 V HN 0.733 nan 8.190 nan 0.000 0.428 245 Q N 4.281 124.157 119.800 0.127 0.000 2.342 245 Q HA 0.829 5.183 4.340 0.023 0.000 0.267 245 Q C -0.781 175.265 176.000 0.077 0.000 1.038 245 Q CA -0.864 54.997 55.803 0.096 0.000 0.832 245 Q CB 2.664 31.398 28.738 -0.007 0.000 1.323 245 Q HN 0.821 nan 8.270 nan 0.000 0.448 246 M N -0.863 118.664 119.600 -0.122 0.000 2.761 246 M HA 0.786 5.279 4.480 0.023 0.000 0.305 246 M C -1.231 174.953 176.300 -0.194 0.000 1.235 246 M CA -0.530 54.646 55.300 -0.206 0.000 0.850 246 M CB 1.612 33.890 32.600 -0.536 0.000 1.744 246 M HN 0.521 nan 8.290 nan 0.000 0.480 247 C N 0.480 119.689 119.300 -0.153 0.000 2.712 247 C HA 1.025 5.498 4.460 0.023 0.000 0.308 247 C C 0.435 175.350 174.990 -0.125 0.000 1.201 247 C CA 0.572 59.521 59.018 -0.116 0.000 1.554 247 C CB 1.002 28.708 27.740 -0.058 0.000 2.117 247 C HN 1.380 nan 8.230 nan 0.000 0.480 248 G N 1.960 110.695 108.800 -0.108 0.000 2.331 248 G HA2 0.104 4.078 3.960 0.023 0.000 0.479 248 G HA3 0.104 4.078 3.960 0.023 0.000 0.479 248 G C -1.170 173.664 174.900 -0.110 0.000 1.262 248 G CA -0.427 44.618 45.100 -0.093 0.000 1.029 248 G HN 0.955 nan 8.290 nan 0.000 0.487 249 E N -0.178 119.966 120.200 -0.094 0.000 2.229 249 E HA 0.513 4.877 4.350 0.023 0.000 0.283 249 E C 0.229 176.740 176.600 -0.148 0.000 1.030 249 E CA -0.658 55.681 56.400 -0.102 0.000 0.836 249 E CB 0.527 30.186 29.700 -0.068 0.000 1.068 249 E HN 0.495 nan 8.360 nan 0.000 0.401 250 L N 4.905 126.031 121.223 -0.161 0.000 2.397 250 L HA 0.373 4.727 4.340 0.023 0.000 0.271 250 L C 0.465 177.212 176.870 -0.205 0.000 1.148 250 L CA -0.186 54.539 54.840 -0.192 0.000 0.825 250 L CB 0.548 42.511 42.059 -0.159 0.000 1.117 250 L HN 0.538 nan 8.230 nan 0.000 0.456 251 R N 1.587 121.916 120.500 -0.285 0.000 2.626 251 R HA 0.170 4.524 4.340 0.023 0.000 0.274 251 R C -0.315 175.747 176.300 -0.397 0.000 1.031 251 R CA -0.785 55.053 56.100 -0.437 0.000 0.898 251 R CB 1.691 31.429 30.300 -0.937 0.000 1.222 251 R HN 0.564 nan 8.270 nan 0.000 0.455 252 D N 1.218 121.461 120.400 -0.261 0.000 2.265 252 D HA -0.171 4.483 4.640 0.023 0.000 0.208 252 D C 1.469 177.743 176.300 -0.044 0.000 0.977 252 D CA 1.672 55.607 54.000 -0.108 0.000 0.871 252 D CB 0.132 40.915 40.800 -0.029 0.000 0.925 252 D HN 0.571 nan 8.370 nan 0.000 0.485 253 Y N 0.066 120.377 120.300 0.017 0.000 2.544 253 Y HA 0.257 4.821 4.550 0.023 0.000 0.286 253 Y C 0.840 176.736 175.900 -0.007 0.000 1.141 253 Y CA -0.575 57.530 58.100 0.008 0.000 1.299 253 Y CB -0.892 37.575 38.460 0.012 0.000 1.030 253 Y HN -0.209 nan 8.280 nan 0.000 0.543 254 L N 2.909 124.141 121.223 0.015 0.000 2.456 254 L HA 0.273 4.627 4.340 0.023 0.000 0.272 254 L C 0.296 177.133 176.870 -0.056 0.000 1.189 254 L CA 0.119 54.997 54.840 0.064 0.000 0.846 254 L CB 0.328 42.456 42.059 0.114 0.000 1.111 254 L HN 0.148 nan 8.230 nan 0.000 0.475 255 R N 2.008 122.338 120.500 -0.283 0.000 2.774 255 R HA 0.688 5.041 4.340 0.023 0.000 0.272 255 R C -1.476 174.437 176.300 -0.646 0.000 1.000 255 R CA -0.850 54.948 56.100 -0.504 0.000 0.906 255 R CB 2.337 32.207 30.300 -0.716 0.000 1.227 255 R HN 0.279 nan 8.270 nan 0.000 0.468 256 V N 1.208 120.837 119.914 -0.475 0.000 2.531 256 V HA 0.427 4.560 4.120 0.023 0.000 0.301 256 V C -0.389 175.664 176.094 -0.069 0.000 1.034 256 V CA -0.480 61.637 62.300 -0.305 0.000 0.865 256 V CB 2.229 33.786 31.823 -0.445 0.000 0.995 256 V HN 0.705 nan 8.190 nan 0.000 0.424 257 T N 4.539 119.164 114.554 0.119 0.000 2.807 257 T HA 0.627 4.991 4.350 0.023 0.000 0.279 257 T C -0.581 174.134 174.700 0.025 0.000 0.993 257 T CA -0.349 61.814 62.100 0.105 0.000 0.970 257 T CB 1.603 70.546 68.868 0.124 0.000 0.950 257 T HN 0.337 nan 8.240 nan 0.000 0.441 258 V N 3.655 123.566 119.914 -0.005 0.000 2.448 258 V HA 0.704 4.838 4.120 0.023 0.000 0.295 258 V C -0.015 176.081 176.094 0.004 0.000 1.025 258 V CA -0.819 61.475 62.300 -0.010 0.000 0.859 258 V CB 1.758 33.564 31.823 -0.029 0.000 0.988 258 V HN 1.009 nan 8.190 nan 0.000 0.431 259 S N 5.404 121.135 115.700 0.052 0.000 2.513 259 S HA 0.850 5.334 4.470 0.023 0.000 0.299 259 S C -1.139 173.484 174.600 0.039 0.000 1.087 259 S CA -0.691 57.517 58.200 0.014 0.000 1.012 259 S CB 1.930 65.182 63.200 0.087 0.000 1.044 259 S HN 0.656 nan 8.310 nan 0.000 0.485 260 L N 3.047 124.185 121.223 -0.142 0.000 2.322 260 L HA 0.846 5.199 4.340 0.023 0.000 0.281 260 L C -1.897 174.896 176.870 -0.128 0.000 1.014 260 L CA -0.244 54.608 54.840 0.021 0.000 0.815 260 L CB 0.983 43.082 42.059 0.065 0.000 1.247 260 L HN 0.889 nan 8.230 nan 0.000 0.421 261 W N 3.359 124.774 121.300 0.191 0.000 2.761 261 W HA 0.617 5.291 4.660 0.023 0.000 0.340 261 W C -0.774 175.836 176.519 0.152 0.000 1.072 261 W CA -0.492 56.933 57.345 0.134 0.000 1.215 261 W CB 1.529 31.018 29.460 0.048 0.000 1.420 261 W HN 0.343 nan 8.180 nan 0.000 0.519 262 Q N 2.093 122.037 119.800 0.239 0.000 2.454 262 Q HA 0.518 4.872 4.340 0.023 0.000 0.255 262 Q C 0.467 176.483 176.000 0.027 0.000 1.034 262 Q CA 0.209 55.970 55.803 -0.070 0.000 0.736 262 Q CB 0.726 29.313 28.738 -0.251 0.000 1.210 262 Q HN 0.764 nan 8.270 nan 0.000 0.500 263 G N 3.247 112.066 108.800 0.032 0.000 2.583 263 G HA2 -0.350 3.623 3.960 0.023 0.000 0.292 263 G HA3 -0.350 3.623 3.960 0.023 0.000 0.292 263 G C 0.591 175.567 174.900 0.127 0.000 1.203 263 G CA 0.344 45.468 45.100 0.040 0.000 0.987 263 G HN 0.584 nan 8.290 nan 0.000 0.554 264 E N 0.830 121.099 120.200 0.115 0.000 2.478 264 E HA 0.112 4.476 4.350 0.023 0.000 0.194 264 E C 0.577 177.380 176.600 0.339 0.000 1.045 264 E CA 0.604 57.107 56.400 0.172 0.000 0.868 264 E CB 0.035 29.776 29.700 0.069 0.000 0.885 264 E HN 0.375 nan 8.360 nan 0.000 0.505 265 T N 1.334 116.037 114.554 0.247 0.000 2.780 265 T HA 0.079 4.442 4.350 0.023 0.000 0.294 265 T C -0.055 174.685 174.700 0.067 0.000 0.949 265 T CA -0.145 62.044 62.100 0.149 0.000 1.074 265 T CB 1.339 70.236 68.868 0.049 0.000 0.910 265 T HN 0.031 nan 8.240 nan 0.000 0.501 266 Q N 3.687 123.311 119.800 -0.293 0.000 2.344 266 Q HA 0.207 4.561 4.340 0.023 0.000 0.253 266 Q C 0.628 176.345 176.000 -0.472 0.000 1.050 266 Q CA -0.369 54.849 55.803 -0.974 0.000 0.912 266 Q CB 0.518 28.524 28.738 -1.219 0.000 1.258 266 Q HN 0.555 nan 8.270 nan 0.000 0.443 267 V N 3.121 122.829 119.914 -0.344 0.000 2.488 267 V HA 0.070 4.204 4.120 0.023 0.000 0.246 267 V C 0.561 176.552 176.094 -0.172 0.000 1.046 267 V CA 1.585 63.797 62.300 -0.146 0.000 1.053 267 V CB -0.141 31.706 31.823 0.040 0.000 0.679 267 V HN 0.821 nan 8.190 nan 0.000 0.458 268 A N -1.604 121.078 122.820 -0.230 0.000 2.586 268 A HA 0.739 5.073 4.320 0.023 0.000 0.291 268 A C -0.793 176.675 177.584 -0.194 0.000 1.062 268 A CA 0.086 52.021 52.037 -0.171 0.000 0.666 268 A CB 1.736 20.672 19.000 -0.106 0.000 1.281 268 A HN 0.067 nan 8.150 nan 0.000 0.421 269 S N -1.088 114.531 115.700 -0.136 0.000 2.548 269 S HA 0.726 5.210 4.470 0.023 0.000 0.278 269 S C -0.605 173.955 174.600 -0.067 0.000 1.150 269 S CA 0.248 58.383 58.200 -0.107 0.000 0.907 269 S CB 1.498 64.626 63.200 -0.120 0.000 1.108 269 S HN 2.301 nan 8.310 nan 0.000 0.459 270 G N 1.969 110.742 108.800 -0.046 0.000 2.682 270 G HA2 0.644 4.617 3.960 0.023 0.000 0.300 270 G HA3 0.644 4.617 3.960 0.023 0.000 0.300 270 G C -1.203 173.683 174.900 -0.023 0.000 1.391 270 G CA -0.397 44.680 45.100 -0.038 0.000 0.990 270 G HN 0.671 nan 8.290 nan 0.000 0.501 271 T N -0.016 114.529 114.554 -0.016 0.000 2.887 271 T HA 0.868 5.231 4.350 0.023 0.000 0.288 271 T C -0.230 174.446 174.700 -0.039 0.000 1.021 271 T CA 0.002 62.104 62.100 0.003 0.000 1.000 271 T CB 1.812 70.716 68.868 0.061 0.000 1.034 271 T HN 1.543 nan 8.240 nan 0.000 0.467 272 A N 3.176 125.943 122.820 -0.088 0.000 2.599 272 A HA 0.814 5.148 4.320 0.023 0.000 0.294 272 A C -3.122 174.334 177.584 -0.212 0.000 1.055 272 A CA -1.440 50.525 52.037 -0.121 0.000 0.683 272 A CB 1.097 20.026 19.000 -0.117 0.000 1.278 272 A HN 0.535 nan 8.150 nan 0.000 0.412 273 P HA 0.546 nan 4.420 nan 0.000 0.276 273 P C -0.525 176.654 177.300 -0.202 0.000 1.261 273 P CA -0.252 62.752 63.100 -0.161 0.000 0.800 273 P CB 0.363 32.033 31.700 -0.050 0.000 1.066 274 F N -0.318 119.597 119.950 -0.059 0.000 2.406 274 F HA 0.501 5.041 4.527 0.022 0.000 0.327 274 F C 1.410 177.195 175.800 -0.026 0.000 1.153 274 F CA 1.302 59.276 58.000 -0.043 0.000 1.218 274 F CB 0.518 39.488 39.000 -0.052 0.000 1.215 274 F HN 0.572 nan 8.300 nan 0.000 0.570 275 G N 1.519 110.453 108.800 0.223 0.000 2.648 275 G HA2 0.351 4.325 3.960 0.023 0.000 0.317 275 G HA3 0.351 4.325 3.960 0.023 0.000 0.317 275 G C -0.560 174.402 174.900 0.103 0.000 1.216 275 G CA -0.706 44.473 45.100 0.131 0.000 1.210 275 G HN 1.032 nan 8.290 nan 0.000 0.583 276 G N 0.622 109.502 108.800 0.132 0.000 2.557 276 G HA2 0.717 4.691 3.960 0.023 0.000 0.292 276 G HA3 0.717 4.691 3.960 0.023 0.000 0.292 276 G C 0.424 175.373 174.900 0.081 0.000 1.237 276 G CA -0.056 45.111 45.100 0.112 0.000 0.978 276 G HN 1.074 nan 8.290 nan 0.000 0.498 277 E N -0.913 119.329 120.200 0.069 0.000 2.408 277 E HA 0.194 4.557 4.350 0.023 0.000 0.259 277 E C -0.152 176.478 176.600 0.050 0.000 1.110 277 E CA -0.583 55.845 56.400 0.048 0.000 0.929 277 E CB 0.967 30.691 29.700 0.039 0.000 0.971 277 E HN 0.294 nan 8.360 nan 0.000 0.438 278 I N 2.054 122.640 120.570 0.026 0.000 2.821 278 I HA -0.180 4.004 4.170 0.023 0.000 0.294 278 I C 0.819 176.948 176.117 0.021 0.000 1.210 278 I CA 0.165 61.473 61.300 0.012 0.000 1.430 278 I CB 0.266 38.268 38.000 0.004 0.000 1.356 278 I HN 0.628 nan 8.210 nan 0.000 0.563 279 I N 4.289 124.864 120.570 0.009 0.000 2.947 279 I HA 0.068 4.252 4.170 0.023 0.000 0.263 279 I C 0.600 176.719 176.117 0.003 0.000 1.130 279 I CA 1.066 62.381 61.300 0.024 0.000 1.448 279 I CB -0.806 37.213 38.000 0.032 0.000 1.222 279 I HN 0.674 nan 8.210 nan 0.000 0.453 280 D N -1.425 118.962 120.400 -0.022 0.000 3.057 280 D HA 0.139 4.793 4.640 0.023 0.000 0.328 280 D C 0.485 176.770 176.300 -0.025 0.000 1.317 280 D CA -0.408 53.581 54.000 -0.018 0.000 0.973 280 D CB 0.409 41.199 40.800 -0.018 0.000 1.424 280 D HN -0.270 nan 8.370 nan 0.000 0.569 281 E N -0.927 119.260 120.200 -0.022 0.000 2.209 281 E HA -0.069 4.295 4.350 0.023 0.000 0.196 281 E C 1.457 178.039 176.600 -0.030 0.000 0.993 281 E CA 1.025 57.412 56.400 -0.021 0.000 0.819 281 E CB -0.048 29.642 29.700 -0.016 0.000 0.745 281 E HN 0.205 nan 8.360 nan 0.000 0.477 282 R N -0.327 120.147 120.500 -0.044 0.000 2.310 282 R HA 0.271 4.624 4.340 0.023 0.000 0.202 282 R C 0.884 177.141 176.300 -0.071 0.000 0.933 282 R CA 0.765 56.831 56.100 -0.057 0.000 1.054 282 R CB 0.432 30.690 30.300 -0.069 0.000 0.985 282 R HN 0.219 nan 8.270 nan 0.000 0.489 283 G N -0.901 107.859 108.800 -0.067 0.000 2.341 283 G HA2 -0.027 3.947 3.960 0.023 0.000 0.196 283 G HA3 -0.027 3.947 3.960 0.023 0.000 0.196 283 G C -0.362 174.484 174.900 -0.089 0.000 1.231 283 G CA -0.629 44.430 45.100 -0.068 0.000 1.155 283 G HN 0.452 nan 8.290 nan 0.000 0.529 284 G N -2.012 106.731 108.800 -0.095 0.000 3.105 284 G HA2 0.655 4.629 3.960 0.023 0.000 0.277 284 G HA3 0.655 4.629 3.960 0.023 0.000 0.277 284 G C -1.612 173.190 174.900 -0.164 0.000 1.375 284 G CA -0.733 44.313 45.100 -0.089 0.000 0.962 284 G HN 0.777 nan 8.290 nan 0.000 0.541 285 Y N 1.032 121.344 120.300 0.020 0.000 2.477 285 Y HA 0.435 4.998 4.550 0.022 0.000 0.349 285 Y C 1.468 177.385 175.900 0.028 0.000 0.977 285 Y CA 0.110 58.222 58.100 0.020 0.000 1.214 285 Y CB 1.599 40.075 38.460 0.027 0.000 1.124 285 Y HN 0.550 nan 8.280 nan 0.000 0.521 286 A N 1.845 124.723 122.820 0.097 0.000 2.067 286 A HA -0.161 4.173 4.320 0.023 0.000 0.219 286 A C 1.411 179.042 177.584 0.079 0.000 1.158 286 A CA 1.536 53.617 52.037 0.074 0.000 0.661 286 A CB -0.326 18.680 19.000 0.010 0.000 0.801 286 A HN 0.788 nan 8.150 nan 0.000 0.452 287 D N -1.016 119.422 120.400 0.063 0.000 2.358 287 D HA 0.148 4.802 4.640 0.023 0.000 0.224 287 D C 0.505 176.794 176.300 -0.019 0.000 1.123 287 D CA -0.025 53.902 54.000 -0.120 0.000 0.833 287 D CB -0.026 40.704 40.800 -0.117 0.000 0.946 287 D HN 0.390 nan 8.370 nan 0.000 0.505 288 R N -0.955 119.715 120.500 0.284 0.000 2.799 288 R HA 0.743 5.097 4.340 0.023 0.000 0.270 288 R C -1.717 174.790 176.300 0.345 0.000 1.010 288 R CA -1.142 55.161 56.100 0.337 0.000 0.916 288 R CB 2.968 33.332 30.300 0.107 0.000 1.228 288 R HN -0.024 nan 8.270 nan 0.000 0.469 289 V N 0.272 120.277 119.914 0.150 0.000 3.023 289 V HA 0.423 4.557 4.120 0.023 0.000 0.294 289 V C -1.613 174.454 176.094 -0.044 0.000 1.324 289 V CA -0.318 61.976 62.300 -0.010 0.000 0.979 289 V CB 2.726 34.424 31.823 -0.207 0.000 1.093 289 V HN 0.812 nan 8.190 nan 0.000 0.434 290 T N 7.468 122.001 114.554 -0.036 0.000 2.772 290 T HA 0.578 4.942 4.350 0.023 0.000 0.288 290 T C -0.747 173.927 174.700 -0.043 0.000 0.994 290 T CA -0.393 61.689 62.100 -0.030 0.000 0.951 290 T CB 0.904 69.767 68.868 -0.009 0.000 0.933 290 T HN 0.433 nan 8.240 nan 0.000 0.447 291 L N 3.470 124.666 121.223 -0.046 0.000 2.325 291 L HA 0.573 4.927 4.340 0.023 0.000 0.279 291 L C 0.464 177.314 176.870 -0.032 0.000 1.054 291 L CA -0.401 54.411 54.840 -0.047 0.000 0.804 291 L CB 1.353 43.381 42.059 -0.051 0.000 1.200 291 L HN 0.544 nan 8.230 nan 0.000 0.436 292 R N 3.142 123.622 120.500 -0.033 0.000 2.439 292 R HA 0.687 5.041 4.340 0.023 0.000 0.310 292 R C -1.144 175.135 176.300 -0.034 0.000 0.955 292 R CA -0.433 55.648 56.100 -0.031 0.000 0.853 292 R CB 1.726 32.007 30.300 -0.030 0.000 1.171 292 R HN 0.473 nan 8.270 nan 0.000 0.449 293 L N 2.905 124.109 121.223 -0.032 0.000 2.341 293 L HA 0.495 4.849 4.340 0.023 0.000 0.278 293 L C -0.296 176.549 176.870 -0.041 0.000 1.005 293 L CA -0.999 53.819 54.840 -0.036 0.000 0.818 293 L CB 1.841 43.883 42.059 -0.029 0.000 1.259 293 L HN 0.496 nan 8.230 nan 0.000 0.418 294 N N 2.377 121.046 118.700 -0.052 0.000 2.455 294 N HA 0.441 5.194 4.740 0.023 0.000 0.280 294 N C -1.003 174.458 175.510 -0.083 0.000 1.055 294 N CA -0.302 52.711 53.050 -0.062 0.000 0.961 294 N CB 2.781 41.236 38.487 -0.054 0.000 1.121 294 N HN 0.194 nan 8.380 nan 0.000 0.476 295 V N 2.127 121.974 119.914 -0.112 0.000 2.443 295 V HA 0.204 4.338 4.120 0.023 0.000 0.293 295 V C -0.191 175.817 176.094 -0.144 0.000 1.021 295 V CA -0.877 61.318 62.300 -0.175 0.000 0.848 295 V CB 1.875 33.474 31.823 -0.374 0.000 0.998 295 V HN 0.474 nan 8.190 nan 0.000 0.424 296 E N 2.846 122.989 120.200 -0.096 0.000 2.283 296 E HA 0.313 4.677 4.350 0.023 0.000 0.278 296 E C 0.258 176.833 176.600 -0.041 0.000 1.027 296 E CA -0.431 55.939 56.400 -0.051 0.000 0.843 296 E CB 0.625 30.306 29.700 -0.031 0.000 1.062 296 E HN 0.751 nan 8.360 nan 0.000 0.401 297 N N 1.162 119.862 118.700 -0.000 0.000 2.705 297 N HA -0.148 4.606 4.740 0.023 0.000 0.255 297 N C -2.449 173.065 175.510 0.006 0.000 1.008 297 N CA -0.004 53.062 53.050 0.027 0.000 0.742 297 N CB -0.956 37.546 38.487 0.025 0.000 0.906 297 N HN 0.317 nan 8.380 nan 0.000 0.541 298 P HA 0.018 nan 4.420 nan 0.000 0.269 298 P C -0.409 176.934 177.300 0.071 0.000 1.215 298 P CA 0.337 63.346 63.100 -0.151 0.000 0.780 298 P CB 0.727 32.116 31.700 -0.519 0.000 0.898 299 K N 2.209 122.733 120.400 0.206 0.000 2.316 299 K HA 0.298 4.631 4.320 0.023 0.000 0.289 299 K C 0.139 176.917 176.600 0.296 0.000 1.070 299 K CA -0.403 56.006 56.287 0.203 0.000 0.928 299 K CB 0.164 32.761 32.500 0.163 0.000 1.039 299 K HN 0.406 nan 8.250 nan 0.000 0.480 300 L N 2.696 124.017 121.223 0.163 0.000 2.395 300 L HA 0.275 4.629 4.340 0.023 0.000 0.269 300 L C -0.000 176.949 176.870 0.132 0.000 1.133 300 L CA -0.701 54.225 54.840 0.144 0.000 0.812 300 L CB 0.389 42.365 42.059 -0.138 0.000 1.125 300 L HN 0.616 nan 8.230 nan 0.000 0.452 301 W N 3.316 124.637 121.300 0.036 0.000 2.376 301 W HA 0.507 5.180 4.660 0.022 0.000 0.322 301 W C -0.107 176.355 176.519 -0.096 0.000 1.160 301 W CA 0.057 57.411 57.345 0.016 0.000 1.218 301 W CB 1.351 30.869 29.460 0.098 0.000 1.205 301 W HN 0.613 nan 8.180 nan 0.000 0.559 302 S N 2.946 118.099 115.700 -0.911 0.000 2.587 302 S HA 0.578 5.062 4.470 0.023 0.000 0.269 302 S C 0.070 173.869 174.600 -1.336 0.000 1.154 302 S CA -0.386 57.309 58.200 -0.843 0.000 0.824 302 S CB 1.004 63.998 63.200 -0.344 0.000 1.118 302 S HN 1.101 nan 8.310 nan 0.000 0.462 303 A N 0.830 122.994 122.820 -1.093 0.000 1.972 303 A HA -0.011 4.322 4.320 0.023 0.000 0.219 303 A C 1.794 179.037 177.584 -0.568 0.000 1.169 303 A CA 1.730 53.164 52.037 -1.005 0.000 0.635 303 A CB -1.058 17.218 19.000 -1.207 0.000 0.810 303 A HN 0.894 nan 8.150 nan 0.000 0.446 304 E N -0.851 119.159 120.200 -0.316 0.000 2.051 304 E HA -0.019 4.345 4.350 0.023 0.000 0.192 304 E C -0.173 176.277 176.600 -0.250 0.000 0.991 304 E CA 0.809 57.084 56.400 -0.209 0.000 0.799 304 E CB -0.056 29.660 29.700 0.027 0.000 0.748 304 E HN 0.614 nan 8.360 nan 0.000 0.449 305 I N 1.495 121.897 120.570 -0.280 0.000 2.560 305 I HA 0.147 4.331 4.170 0.023 0.000 0.278 305 I C -2.515 173.372 176.117 -0.383 0.000 1.089 305 I CA -1.879 59.276 61.300 -0.240 0.000 1.086 305 I CB 2.421 40.333 38.000 -0.147 0.000 1.202 305 I HN -0.208 nan 8.210 nan 0.000 0.471 306 P HA 0.107 nan 4.420 nan 0.000 0.220 306 P C -0.664 176.575 177.300 -0.102 0.000 1.806 306 P CA -0.307 62.455 63.100 -0.565 0.000 0.976 306 P CB -0.258 31.239 31.700 -0.337 0.000 1.952 307 N N 1.737 120.429 118.700 -0.013 0.000 2.454 307 N HA 0.128 4.882 4.740 0.023 0.000 0.260 307 N C 0.112 175.844 175.510 0.370 0.000 1.218 307 N CA 0.467 53.603 53.050 0.142 0.000 0.904 307 N CB 0.853 39.430 38.487 0.150 0.000 1.065 307 N HN 0.299 nan 8.380 nan 0.000 0.462 308 L N 2.078 123.467 121.223 0.276 0.000 2.371 308 L HA 0.477 4.830 4.340 0.023 0.000 0.262 308 L C -0.721 176.296 176.870 0.247 0.000 1.006 308 L CA -0.867 54.192 54.840 0.365 0.000 0.818 308 L CB 1.266 43.480 42.059 0.258 0.000 1.354 308 L HN 0.379 nan 8.230 nan 0.000 0.415 309 Y N 0.212 120.667 120.300 0.258 0.000 2.699 309 Y HA 0.663 5.227 4.550 0.024 0.000 0.326 309 Y C -0.162 175.863 175.900 0.209 0.000 1.141 309 Y CA -0.906 57.345 58.100 0.251 0.000 1.246 309 Y CB 1.327 39.995 38.460 0.346 0.000 1.426 309 Y HN 0.379 nan 8.280 nan 0.000 0.559 310 R N 0.620 121.366 120.500 0.411 0.000 2.532 310 R HA 0.784 5.137 4.340 0.023 0.000 0.297 310 R C -1.761 174.740 176.300 0.334 0.000 0.984 310 R CA -0.495 55.779 56.100 0.290 0.000 0.884 310 R CB 1.241 31.648 30.300 0.179 0.000 1.182 310 R HN 0.733 nan 8.270 nan 0.000 0.442 311 A N 3.779 126.743 122.820 0.240 0.000 2.276 311 A HA 0.632 4.966 4.320 0.023 0.000 0.316 311 A C -1.007 176.651 177.584 0.124 0.000 1.229 311 A CA -0.590 51.564 52.037 0.194 0.000 0.851 311 A CB 1.176 20.263 19.000 0.145 0.000 1.165 311 A HN 0.467 nan 8.150 nan 0.000 0.513 312 V N 3.392 123.379 119.914 0.123 0.000 2.487 312 V HA 0.427 4.560 4.120 0.023 0.000 0.298 312 V C -0.480 175.601 176.094 -0.022 0.000 1.028 312 V CA -0.510 61.810 62.300 0.032 0.000 0.860 312 V CB 1.713 33.573 31.823 0.062 0.000 0.991 312 V HN 0.622 nan 8.190 nan 0.000 0.427 313 V N 4.697 124.527 119.914 -0.140 0.000 2.350 313 V HA 0.435 4.569 4.120 0.023 0.000 0.285 313 V C -0.171 175.862 176.094 -0.101 0.000 1.014 313 V CA -0.596 61.596 62.300 -0.180 0.000 0.831 313 V CB 1.484 33.036 31.823 -0.452 0.000 1.000 313 V HN 0.944 nan 8.190 nan 0.000 0.433 314 E N 4.108 124.303 120.200 -0.008 0.000 2.151 314 E HA 0.514 4.877 4.350 0.023 0.000 0.275 314 E C -0.934 175.755 176.600 0.148 0.000 0.936 314 E CA -0.830 55.616 56.400 0.076 0.000 0.777 314 E CB 2.550 32.320 29.700 0.116 0.000 1.108 314 E HN 0.485 nan 8.360 nan 0.000 0.401 315 L N 4.599 125.881 121.223 0.099 0.000 2.265 315 L HA 0.383 4.737 4.340 0.023 0.000 0.289 315 L C -0.952 176.007 176.870 0.147 0.000 1.033 315 L CA 0.126 55.009 54.840 0.072 0.000 0.814 315 L CB -0.011 42.083 42.059 0.059 0.000 1.203 315 L HN 0.676 nan 8.230 nan 0.000 0.423 316 H N 0.409 119.506 119.070 0.046 0.000 2.942 316 H HA 0.805 5.375 4.556 0.023 0.000 0.316 316 H C -0.752 174.635 175.328 0.099 0.000 1.323 316 H CA -0.470 55.611 56.048 0.056 0.000 1.144 316 H CB 0.812 30.590 29.762 0.025 0.000 1.866 316 H HN 0.495 nan 8.280 nan 0.000 0.545 317 T N -2.222 112.455 114.554 0.205 0.000 2.927 317 T HA 0.544 4.908 4.350 0.023 0.000 0.281 317 T C 1.444 176.273 174.700 0.214 0.000 0.998 317 T CA -0.405 61.803 62.100 0.180 0.000 1.019 317 T CB 1.476 70.383 68.868 0.066 0.000 1.061 317 T HN 0.946 nan 8.240 nan 0.000 0.518 318 A N 1.257 124.174 122.820 0.162 0.000 1.986 318 A HA -0.129 4.205 4.320 0.023 0.000 0.220 318 A C 1.847 179.495 177.584 0.108 0.000 1.171 318 A CA 1.976 54.095 52.037 0.137 0.000 0.640 318 A CB -1.120 17.950 19.000 0.116 0.000 0.811 318 A HN 0.991 nan 8.150 nan 0.000 0.451 319 D N -2.496 117.940 120.400 0.059 0.000 2.363 319 D HA 0.268 4.922 4.640 0.023 0.000 0.220 319 D C 1.156 177.478 176.300 0.036 0.000 0.994 319 D CA 1.073 55.088 54.000 0.026 0.000 0.890 319 D CB -0.475 40.313 40.800 -0.019 0.000 0.906 319 D HN 0.855 nan 8.370 nan 0.000 0.530 320 G N -0.855 108.000 108.800 0.091 0.000 2.184 320 G HA2 -0.210 3.763 3.960 0.023 0.000 0.206 320 G HA3 -0.210 3.763 3.960 0.023 0.000 0.206 320 G C 0.187 175.107 174.900 0.032 0.000 0.995 320 G CA 0.036 45.157 45.100 0.036 0.000 0.651 320 G HN 0.387 nan 8.290 nan 0.000 0.511 321 T N 1.918 116.513 114.554 0.068 0.000 2.752 321 T HA 0.474 4.838 4.350 0.023 0.000 0.295 321 T C 0.442 175.201 174.700 0.099 0.000 0.923 321 T CA -0.112 62.018 62.100 0.049 0.000 1.112 321 T CB 1.806 70.685 68.868 0.018 0.000 0.884 321 T HN 0.555 nan 8.240 nan 0.000 0.525 322 L N 4.798 126.061 121.223 0.066 0.000 2.410 322 L HA 0.295 4.649 4.340 0.023 0.000 0.273 322 L C 0.830 177.750 176.870 0.082 0.000 1.152 322 L CA 0.448 55.343 54.840 0.091 0.000 0.855 322 L CB 0.165 42.248 42.059 0.040 0.000 1.129 322 L HN 0.690 nan 8.230 nan 0.000 0.463 323 I N 2.534 123.164 120.570 0.100 0.000 2.685 323 I HA 0.153 4.337 4.170 0.023 0.000 0.251 323 I C 0.154 176.296 176.117 0.042 0.000 1.102 323 I CA 0.387 61.727 61.300 0.066 0.000 1.442 323 I CB 0.174 38.217 38.000 0.072 0.000 1.194 323 I HN 0.816 nan 8.210 nan 0.000 0.448 324 E N 0.098 120.325 120.200 0.044 0.000 2.403 324 E HA 0.671 5.034 4.350 0.023 0.000 0.280 324 E C -1.532 175.087 176.600 0.032 0.000 1.101 324 E CA -1.060 55.357 56.400 0.028 0.000 0.856 324 E CB 1.426 31.112 29.700 -0.024 0.000 1.303 324 E HN -0.020 nan 8.360 nan 0.000 0.441 325 A N 1.287 124.145 122.820 0.064 0.000 2.393 325 A HA 0.685 5.019 4.320 0.023 0.000 0.306 325 A C -0.967 176.710 177.584 0.154 0.000 1.050 325 A CA -0.740 51.343 52.037 0.077 0.000 0.724 325 A CB 1.552 20.611 19.000 0.098 0.000 1.248 325 A HN 0.488 nan 8.150 nan 0.000 0.424 326 E N -0.047 120.162 120.200 0.014 0.000 2.299 326 E HA 0.854 5.218 4.350 0.023 0.000 0.260 326 E C -0.450 176.190 176.600 0.066 0.000 0.944 326 E CA -0.533 55.903 56.400 0.059 0.000 0.815 326 E CB 2.370 31.964 29.700 -0.176 0.000 1.252 326 E HN 1.178 nan 8.360 nan 0.000 0.418 327 A N -0.072 122.919 122.820 0.285 0.000 2.597 327 A HA 0.665 4.999 4.320 0.023 0.000 0.292 327 A C -1.101 176.738 177.584 0.426 0.000 1.057 327 A CA -0.484 51.693 52.037 0.234 0.000 0.674 327 A CB 0.625 19.707 19.000 0.138 0.000 1.278 327 A HN 0.829 nan 8.150 nan 0.000 0.416 328 C N -0.450 119.041 119.300 0.319 0.000 3.288 328 C HA 0.834 5.308 4.460 0.023 0.000 0.318 328 C C -1.227 173.879 174.990 0.193 0.000 1.356 328 C CA -0.935 58.253 59.018 0.283 0.000 1.359 328 C CB 1.249 29.148 27.740 0.266 0.000 1.688 328 C HN 0.823 nan 8.230 nan 0.000 0.467 329 D N 0.993 121.486 120.400 0.155 0.000 2.302 329 D HA 0.532 5.185 4.640 0.023 0.000 0.248 329 D C -0.427 175.936 176.300 0.105 0.000 1.094 329 D CA 0.230 54.320 54.000 0.150 0.000 0.897 329 D CB 1.912 42.804 40.800 0.154 0.000 1.200 329 D HN 0.529 nan 8.370 nan 0.000 0.429 330 V N 0.920 120.921 119.914 0.144 0.000 2.540 330 V HA 0.615 4.748 4.120 0.023 0.000 0.302 330 V C 0.551 176.709 176.094 0.106 0.000 1.035 330 V CA -0.887 61.437 62.300 0.040 0.000 0.873 330 V CB 2.086 33.916 31.823 0.012 0.000 0.992 330 V HN 0.615 nan 8.190 nan 0.000 0.428 331 G N 2.762 111.522 108.800 -0.066 0.000 2.422 331 G HA2 0.605 4.578 3.960 0.023 0.000 0.317 331 G HA3 0.605 4.578 3.960 0.023 0.000 0.317 331 G C -0.980 173.957 174.900 0.061 0.000 1.210 331 G CA -0.380 44.758 45.100 0.064 0.000 0.930 331 G HN 0.423 nan 8.290 nan 0.000 0.468 332 F N 4.043 124.171 119.950 0.297 0.000 2.462 332 F HA 0.419 4.959 4.527 0.022 0.000 0.360 332 F C 1.142 177.189 175.800 0.412 0.000 1.134 332 F CA -0.099 58.131 58.000 0.383 0.000 1.148 332 F CB 0.569 39.804 39.000 0.392 0.000 1.147 332 F HN 0.449 nan 8.300 nan 0.000 0.550 333 R N 3.070 123.838 120.500 0.446 0.000 2.663 333 R HA 0.423 4.777 4.340 0.023 0.000 0.267 333 R C -1.896 174.511 176.300 0.179 0.000 1.038 333 R CA -0.765 55.430 56.100 0.157 0.000 0.886 333 R CB 1.677 32.118 30.300 0.234 0.000 1.249 333 R HN 0.583 nan 8.270 nan 0.000 0.463 334 E N 2.235 122.432 120.200 -0.006 0.000 2.210 334 E HA 0.466 4.830 4.350 0.023 0.000 0.266 334 E C -1.278 175.366 176.600 0.073 0.000 0.883 334 E CA -0.908 55.576 56.400 0.141 0.000 0.761 334 E CB 2.247 32.099 29.700 0.252 0.000 1.156 334 E HN 0.408 nan 8.360 nan 0.000 0.412 335 V N 5.368 125.332 119.914 0.084 0.000 2.409 335 V HA 0.578 4.711 4.120 0.023 0.000 0.291 335 V C -0.169 175.961 176.094 0.060 0.000 1.020 335 V CA -0.667 61.661 62.300 0.048 0.000 0.848 335 V CB 1.124 32.956 31.823 0.014 0.000 0.990 335 V HN 0.717 nan 8.190 nan 0.000 0.430 336 R N 4.181 124.714 120.500 0.055 0.000 2.680 336 R HA 0.725 5.078 4.340 0.023 0.000 0.269 336 R C -2.020 174.306 176.300 0.043 0.000 1.026 336 R CA -0.919 55.217 56.100 0.059 0.000 0.889 336 R CB 1.967 32.317 30.300 0.083 0.000 1.241 336 R HN 0.523 nan 8.270 nan 0.000 0.463 337 I N 1.637 122.233 120.570 0.043 0.000 2.321 337 I HA 0.321 4.505 4.170 0.023 0.000 0.291 337 I C -0.530 175.610 176.117 0.038 0.000 0.998 337 I CA -0.289 61.031 61.300 0.034 0.000 1.227 337 I CB 1.695 39.718 38.000 0.038 0.000 1.368 337 I HN 0.688 nan 8.210 nan 0.000 0.466 338 E N 5.678 125.897 120.200 0.032 0.000 2.278 338 E HA 0.265 4.628 4.350 0.023 0.000 0.272 338 E C -0.230 176.384 176.600 0.023 0.000 0.890 338 E CA -0.540 55.880 56.400 0.033 0.000 0.770 338 E CB 0.966 30.691 29.700 0.042 0.000 1.212 338 E HN 0.509 nan 8.360 nan 0.000 0.415 339 N N 3.252 121.965 118.700 0.023 0.000 2.725 339 N HA -0.235 4.519 4.740 0.023 0.000 0.249 339 N C 0.442 175.959 175.510 0.011 0.000 1.103 339 N CA 2.049 55.109 53.050 0.016 0.000 0.707 339 N CB -1.165 37.330 38.487 0.014 0.000 1.043 339 N HN 0.963 nan 8.380 nan 0.000 0.553 340 G N -2.324 106.484 108.800 0.013 0.000 2.176 340 G HA2 -0.278 3.696 3.960 0.023 0.000 0.253 340 G HA3 -0.278 3.696 3.960 0.023 0.000 0.253 340 G C -0.114 174.783 174.900 -0.005 0.000 0.979 340 G CA 0.490 45.593 45.100 0.006 0.000 0.641 340 G HN 0.473 nan 8.290 nan 0.000 0.530 341 L N 0.138 121.358 121.223 -0.004 0.000 2.365 341 L HA 0.718 5.072 4.340 0.023 0.000 0.273 341 L C 0.130 176.991 176.870 -0.016 0.000 1.000 341 L CA -1.332 53.497 54.840 -0.018 0.000 0.819 341 L CB 1.908 43.955 42.059 -0.021 0.000 1.284 341 L HN 0.095 nan 8.230 nan 0.000 0.418 342 L N 4.610 125.812 121.223 -0.035 0.000 2.315 342 L HA 0.429 4.783 4.340 0.023 0.000 0.283 342 L C -0.792 176.053 176.870 -0.042 0.000 1.089 342 L CA 0.405 55.224 54.840 -0.035 0.000 0.833 342 L CB 0.163 42.188 42.059 -0.056 0.000 1.170 342 L HN 0.390 nan 8.230 nan 0.000 0.442 343 L N 5.768 126.983 121.223 -0.013 0.000 2.331 343 L HA 0.570 4.923 4.340 0.023 0.000 0.275 343 L C -0.707 176.164 176.870 0.001 0.000 1.022 343 L CA -0.827 54.012 54.840 -0.001 0.000 0.812 343 L CB 1.784 43.867 42.059 0.040 0.000 1.257 343 L HN 0.552 nan 8.230 nan 0.000 0.435 344 L N 3.311 124.546 121.223 0.019 0.000 2.349 344 L HA 0.483 4.836 4.340 0.023 0.000 0.278 344 L C -0.213 176.679 176.870 0.036 0.000 0.996 344 L CA -0.118 54.747 54.840 0.042 0.000 0.825 344 L CB 1.028 43.126 42.059 0.064 0.000 1.243 344 L HN 0.611 nan 8.230 nan 0.000 0.412 345 N N 4.087 122.641 118.700 -0.243 0.000 2.710 345 N HA -0.229 4.524 4.740 0.023 0.000 0.249 345 N C 0.926 176.076 175.510 -0.600 0.000 1.059 345 N CA 1.365 53.902 53.050 -0.856 0.000 0.720 345 N CB -1.213 36.736 38.487 -0.897 0.000 0.983 345 N HN 1.164 nan 8.380 nan 0.000 0.544 346 G N -2.016 106.724 108.800 -0.100 0.000 2.179 346 G HA2 -0.350 3.623 3.960 0.023 0.000 0.260 346 G HA3 -0.350 3.623 3.960 0.023 0.000 0.260 346 G C -0.128 174.820 174.900 0.080 0.000 0.977 346 G CA 0.861 46.041 45.100 0.133 0.000 0.641 346 G HN 0.431 nan 8.290 nan 0.000 0.533 347 K N 0.978 121.409 120.400 0.053 0.000 2.221 347 K HA 0.531 4.864 4.320 0.023 0.000 0.258 347 K C -2.805 173.764 176.600 -0.051 0.000 0.944 347 K CA -2.437 53.836 56.287 -0.024 0.000 0.823 347 K CB 2.353 34.754 32.500 -0.165 0.000 1.113 347 K HN 0.100 nan 8.250 nan 0.000 0.431 348 P HA 0.114 nan 4.420 nan 0.000 0.267 348 P C -0.122 177.108 177.300 -0.116 0.000 1.209 348 P CA -0.053 62.999 63.100 -0.080 0.000 0.763 348 P CB 0.473 32.129 31.700 -0.072 0.000 0.816 349 L N 3.291 124.438 121.223 -0.127 0.000 2.468 349 L HA 0.352 4.705 4.340 0.023 0.000 0.254 349 L C 0.682 177.467 176.870 -0.141 0.000 1.171 349 L CA -0.737 54.015 54.840 -0.148 0.000 0.809 349 L CB 0.346 42.267 42.059 -0.230 0.000 1.155 349 L HN 0.265 nan 8.230 nan 0.000 0.473 350 L N 2.693 123.851 121.223 -0.109 0.000 2.442 350 L HA 0.405 4.758 4.340 0.023 0.000 0.261 350 L C -0.549 176.285 176.870 -0.061 0.000 1.000 350 L CA -0.185 54.585 54.840 -0.117 0.000 0.882 350 L CB 0.797 42.816 42.059 -0.067 0.000 1.207 350 L HN 0.233 nan 8.230 nan 0.000 0.443 351 I N 4.615 125.085 120.570 -0.166 0.000 2.505 351 I HA 0.133 4.316 4.170 0.023 0.000 0.287 351 I C 0.549 176.647 176.117 -0.031 0.000 1.104 351 I CA 0.355 61.564 61.300 -0.151 0.000 1.387 351 I CB 0.205 37.985 38.000 -0.367 0.000 1.404 351 I HN 0.574 nan 8.210 nan 0.000 0.528 352 R N 4.941 125.490 120.500 0.081 0.000 2.937 352 R HA 0.438 4.791 4.340 0.023 0.000 0.264 352 R C 0.444 176.869 176.300 0.209 0.000 1.334 352 R CA -0.301 55.881 56.100 0.137 0.000 1.516 352 R CB 1.018 31.214 30.300 -0.173 0.000 1.187 352 R HN 0.767 nan 8.270 nan 0.000 0.609 353 G N 0.244 109.141 108.800 0.161 0.000 2.509 353 G HA2 0.589 4.563 3.960 0.023 0.000 0.328 353 G HA3 0.589 4.563 3.960 0.023 0.000 0.328 353 G C -1.265 173.924 174.900 0.482 0.000 1.194 353 G CA -0.453 44.706 45.100 0.098 0.000 0.967 353 G HN 0.225 nan 8.290 nan 0.000 0.488 354 V N 0.222 120.407 119.914 0.451 0.000 3.012 354 V HA 0.445 4.579 4.120 0.023 0.000 0.307 354 V C -1.120 175.124 176.094 0.249 0.000 1.166 354 V CA -1.196 61.272 62.300 0.280 0.000 0.974 354 V CB 2.240 33.946 31.823 -0.196 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.366 123.129 118.700 0.105 0.000 2.518 355 N HA 0.463 5.216 4.740 0.023 0.000 0.283 355 N C -0.774 174.543 175.510 -0.321 0.000 1.119 355 N CA -0.367 52.608 53.050 -0.124 0.000 0.983 355 N CB 1.531 39.908 38.487 -0.182 0.000 1.139 355 N HN 0.604 nan 8.380 nan 0.000 0.465 356 R N 2.103 122.374 120.500 -0.382 0.000 2.510 356 R HA 0.182 4.535 4.340 0.023 0.000 0.294 356 R C -1.122 174.914 176.300 -0.440 0.000 1.056 356 R CA -0.540 55.342 56.100 -0.364 0.000 0.918 356 R CB 0.765 30.835 30.300 -0.384 0.000 1.187 356 R HN 0.602 nan 8.270 nan 0.000 0.437 357 H N 2.170 121.088 119.070 -0.252 0.000 2.551 357 H HA 0.111 4.681 4.556 0.023 0.000 0.358 357 H C -0.442 174.890 175.328 0.005 0.000 1.151 357 H CA 0.201 56.203 56.048 -0.077 0.000 1.374 357 H CB 1.350 31.113 29.762 0.001 0.000 1.473 357 H HN 0.553 nan 8.280 nan 0.000 0.574 358 E N 2.126 122.529 120.200 0.338 0.000 1.893 358 E HA 0.073 4.437 4.350 0.023 0.000 0.269 358 E C -0.678 176.071 176.600 0.248 0.000 1.129 358 E CA 0.009 56.528 56.400 0.199 0.000 0.904 358 E CB 0.035 29.861 29.700 0.210 0.000 1.077 358 E HN 0.363 nan 8.360 nan 0.000 0.407 359 H N 1.536 120.672 119.070 0.111 0.000 2.759 359 H HA 0.231 4.801 4.556 0.023 0.000 0.354 359 H C -1.570 173.812 175.328 0.090 0.000 1.074 359 H CA -0.692 55.413 56.048 0.095 0.000 1.226 359 H CB 0.915 30.721 29.762 0.072 0.000 1.648 359 H HN 0.355 nan 8.280 nan 0.000 0.529 360 H N 6.789 125.497 119.070 -0.604 0.000 2.744 360 H HA 0.214 4.783 4.556 0.023 0.000 0.339 360 H C -2.241 172.726 175.328 -0.602 0.000 1.004 360 H CA -2.491 53.317 56.048 -0.400 0.000 1.257 360 H CB 2.412 32.081 29.762 -0.155 0.000 1.552 360 H HN 0.544 nan 8.280 nan 0.000 0.522 361 P HA -0.129 nan 4.420 nan 0.000 0.218 361 P C 1.170 178.371 177.300 -0.165 0.000 1.146 361 P CA 0.908 63.839 63.100 -0.280 0.000 0.813 361 P CB 0.725 32.293 31.700 -0.220 0.000 0.778 362 L N -2.672 118.591 121.223 0.067 0.000 2.500 362 L HA 0.146 4.499 4.340 0.023 0.000 0.219 362 L C 2.006 178.638 176.870 -0.396 0.000 1.057 362 L CA 0.613 55.330 54.840 -0.204 0.000 0.854 362 L CB -0.334 41.462 42.059 -0.437 0.000 1.078 362 L HN -0.046 nan 8.230 nan 0.000 0.480 363 H N -1.183 117.862 119.070 -0.041 0.000 2.586 363 H HA 0.317 4.887 4.556 0.023 0.000 0.273 363 H C 1.439 176.659 175.328 -0.181 0.000 0.997 363 H CA 0.278 56.191 56.048 -0.225 0.000 1.177 363 H CB 0.516 30.039 29.762 -0.398 0.000 1.471 363 H HN 0.328 nan 8.280 nan 0.000 0.538 364 G N 1.519 110.235 108.800 -0.140 0.000 2.687 364 G HA2 -0.415 3.559 3.960 0.023 0.000 0.303 364 G HA3 -0.415 3.559 3.960 0.023 0.000 0.303 364 G C 0.811 175.626 174.900 -0.141 0.000 1.209 364 G CA 0.575 45.538 45.100 -0.229 0.000 0.968 364 G HN 0.474 nan 8.290 nan 0.000 0.549 365 Q N -0.064 119.686 119.800 -0.083 0.000 2.219 365 Q HA 0.504 4.857 4.340 0.023 0.000 0.209 365 Q C 0.306 176.408 176.000 0.171 0.000 0.854 365 Q CA -0.148 55.655 55.803 -0.001 0.000 0.960 365 Q CB 1.577 30.215 28.738 -0.167 0.000 1.116 365 Q HN 0.362 nan 8.270 nan 0.000 0.500 366 V N 2.073 122.067 119.914 0.133 0.000 2.530 366 V HA 0.151 4.285 4.120 0.023 0.000 0.282 366 V C 0.107 176.258 176.094 0.095 0.000 1.048 366 V CA 0.243 62.622 62.300 0.131 0.000 0.997 366 V CB 0.995 32.828 31.823 0.018 0.000 0.987 366 V HN 0.336 nan 8.190 nan 0.000 0.477 367 M N 5.667 125.323 119.600 0.094 0.000 2.364 367 M HA 0.475 4.969 4.480 0.023 0.000 0.334 367 M C -0.500 175.776 176.300 -0.040 0.000 1.107 367 M CA -0.631 54.690 55.300 0.034 0.000 0.988 367 M CB 1.788 34.385 32.600 -0.006 0.000 1.673 367 M HN 0.831 nan 8.290 nan 0.000 0.441 368 D N 0.863 121.249 120.400 -0.023 0.000 2.419 368 D HA 0.205 4.859 4.640 0.023 0.000 0.234 368 D C 0.138 176.434 176.300 -0.006 0.000 1.014 368 D CA -0.409 53.577 54.000 -0.022 0.000 0.919 368 D CB 1.827 42.633 40.800 0.010 0.000 1.366 368 D HN 0.729 nan 8.370 nan 0.000 0.490 369 E N 0.046 120.248 120.200 0.004 0.000 2.153 369 E HA -0.267 4.097 4.350 0.023 0.000 0.194 369 E C 1.360 178.007 176.600 0.079 0.000 0.988 369 E CA 1.294 57.720 56.400 0.042 0.000 0.811 369 E CB 0.219 29.955 29.700 0.060 0.000 0.746 369 E HN 0.283 nan 8.360 nan 0.000 0.466 370 Q N 0.130 119.978 119.800 0.081 0.000 2.061 370 Q HA -0.115 4.239 4.340 0.023 0.000 0.204 370 Q C 2.161 178.227 176.000 0.110 0.000 0.984 370 Q CA 2.349 58.209 55.803 0.095 0.000 0.846 370 Q CB -0.694 28.100 28.738 0.094 0.000 0.902 370 Q HN 0.285 nan 8.270 nan 0.000 0.421 371 T N 0.252 114.884 114.554 0.128 0.000 2.788 371 T HA -0.108 4.256 4.350 0.023 0.000 0.268 371 T C 1.799 176.588 174.700 0.148 0.000 1.044 371 T CA 1.262 63.452 62.100 0.149 0.000 1.139 371 T CB -0.160 68.825 68.868 0.195 0.000 0.867 371 T HN 0.223 nan 8.240 nan 0.000 0.454 372 M N 0.557 120.247 119.600 0.150 0.000 2.086 372 M HA -0.100 4.393 4.480 0.023 0.000 0.261 372 M C 2.434 178.851 176.300 0.196 0.000 1.067 372 M CA 1.394 56.848 55.300 0.257 0.000 1.116 372 M CB -0.519 32.246 32.600 0.275 0.000 1.348 372 M HN 0.106 nan 8.290 nan 0.000 0.407 373 V N 0.056 120.023 119.914 0.088 0.000 2.407 373 V HA -0.296 3.837 4.120 0.023 0.000 0.248 373 V C 2.247 178.324 176.094 -0.028 0.000 1.055 373 V CA 1.998 64.279 62.300 -0.032 0.000 1.049 373 V CB -0.915 30.929 31.823 0.035 0.000 0.662 373 V HN 0.561 nan 8.190 nan 0.000 0.455 374 Q N -0.251 119.588 119.800 0.066 0.000 2.084 374 Q HA -0.255 4.099 4.340 0.023 0.000 0.202 374 Q C 1.970 178.051 176.000 0.134 0.000 0.978 374 Q CA 2.079 57.941 55.803 0.100 0.000 0.844 374 Q CB -0.082 28.733 28.738 0.129 0.000 0.898 374 Q HN 0.630 nan 8.270 nan 0.000 0.426 375 D N 0.255 120.746 120.400 0.151 0.000 2.097 375 D HA -0.121 4.533 4.640 0.023 0.000 0.197 375 D C 1.954 178.220 176.300 -0.056 0.000 0.984 375 D CA 1.110 55.195 54.000 0.142 0.000 0.826 375 D CB -0.202 40.651 40.800 0.090 0.000 0.973 375 D HN 0.345 nan 8.370 nan 0.000 0.460 376 I N 0.773 121.298 120.570 -0.075 0.000 2.208 376 I HA -0.243 3.940 4.170 0.023 0.000 0.245 376 I C 2.448 178.441 176.117 -0.206 0.000 1.097 376 I CA 0.724 61.879 61.300 -0.241 0.000 1.363 376 I CB -0.190 37.526 38.000 -0.473 0.000 1.051 376 I HN -0.006 nan 8.210 nan 0.000 0.413 377 L N 0.045 121.181 121.223 -0.145 0.000 2.056 377 L HA -0.208 4.146 4.340 0.023 0.000 0.207 377 L C 2.565 179.518 176.870 0.139 0.000 1.078 377 L CA 1.249 56.093 54.840 0.007 0.000 0.749 377 L CB -0.420 41.660 42.059 0.035 0.000 0.901 377 L HN 0.279 nan 8.230 nan 0.000 0.433 378 L N -0.955 120.374 121.223 0.178 0.000 2.083 378 L HA -0.250 4.103 4.340 0.023 0.000 0.209 378 L C 2.659 179.734 176.870 0.340 0.000 1.083 378 L CA 1.319 56.352 54.840 0.323 0.000 0.752 378 L CB -0.228 42.140 42.059 0.514 0.000 0.899 378 L HN 0.272 nan 8.230 nan 0.000 0.433 379 M N -0.736 118.908 119.600 0.072 0.000 2.065 379 M HA -0.283 4.210 4.480 0.023 0.000 0.259 379 M C 2.297 178.729 176.300 0.219 0.000 1.069 379 M CA 1.936 57.203 55.300 -0.056 0.000 1.110 379 M CB -0.394 31.914 32.600 -0.487 0.000 1.328 379 M HN 0.062 nan 8.290 nan 0.000 0.405 380 K N -0.067 120.371 120.400 0.062 0.000 2.057 380 K HA -0.192 4.142 4.320 0.023 0.000 0.207 380 K C 2.008 178.647 176.600 0.066 0.000 1.049 380 K CA 1.462 57.696 56.287 -0.089 0.000 0.931 380 K CB -0.285 32.046 32.500 -0.282 0.000 0.714 380 K HN 0.488 nan 8.250 nan 0.000 0.440 381 Q N 0.347 120.353 119.800 0.344 0.000 2.226 381 Q HA -0.066 4.288 4.340 0.023 0.000 0.204 381 Q C 0.984 177.309 176.000 0.542 0.000 0.975 381 Q CA 0.784 56.889 55.803 0.504 0.000 0.866 381 Q CB 0.047 29.047 28.738 0.437 0.000 0.915 381 Q HN 0.287 nan 8.270 nan 0.000 0.440 382 N N 0.696 119.670 118.700 0.456 0.000 2.295 382 N HA 0.030 4.783 4.740 0.023 0.000 0.221 382 N C -0.555 175.086 175.510 0.219 0.000 1.129 382 N CA 0.064 53.379 53.050 0.441 0.000 0.836 382 N CB 0.584 39.419 38.487 0.579 0.000 1.040 382 N HN 0.176 nan 8.380 nan 0.000 0.494 383 N N -0.029 118.803 118.700 0.220 0.000 2.782 383 N HA -0.190 4.564 4.740 0.023 0.000 0.251 383 N C -0.784 174.639 175.510 -0.145 0.000 1.101 383 N CA 0.787 53.903 53.050 0.109 0.000 0.764 383 N CB -1.769 36.694 38.487 -0.040 0.000 1.122 383 N HN 0.241 nan 8.380 nan 0.000 0.561 384 F N 1.061 121.049 119.950 0.064 0.000 2.377 384 F HA 0.350 4.890 4.527 0.022 0.000 0.328 384 F C 1.754 177.568 175.800 0.024 0.000 1.094 384 F CA -0.488 57.530 58.000 0.030 0.000 1.093 384 F CB 0.832 39.824 39.000 -0.013 0.000 1.214 384 F HN 0.050 nan 8.300 nan 0.000 0.518 385 N N 0.241 119.069 118.700 0.213 0.000 2.118 385 N HA 0.415 5.169 4.740 0.023 0.000 0.226 385 N C -0.938 174.647 175.510 0.125 0.000 1.305 385 N CA -0.032 53.075 53.050 0.095 0.000 0.890 385 N CB 0.692 39.281 38.487 0.170 0.000 1.118 385 N HN 0.474 nan 8.380 nan 0.000 0.511 386 A N -0.343 122.612 122.820 0.225 0.000 2.572 386 A HA 0.771 5.105 4.320 0.023 0.000 0.295 386 A C -1.677 176.136 177.584 0.382 0.000 1.072 386 A CA -0.732 51.495 52.037 0.317 0.000 0.691 386 A CB 1.963 21.140 19.000 0.296 0.000 1.291 386 A HN 0.253 nan 8.150 nan 0.000 0.404 387 V N 1.487 121.684 119.914 0.471 0.000 2.841 387 V HA 0.805 4.939 4.120 0.023 0.000 0.310 387 V C -0.642 175.631 176.094 0.299 0.000 1.090 387 V CA -0.757 61.783 62.300 0.401 0.000 0.930 387 V CB 1.877 33.855 31.823 0.259 0.000 1.014 387 V HN 1.087 nan 8.190 nan 0.000 0.425 388 R N 5.078 125.600 120.500 0.038 0.000 2.343 388 R HA 0.471 4.824 4.340 0.023 0.000 0.320 388 R C -0.818 175.346 176.300 -0.228 0.000 0.956 388 R CA -0.493 55.413 56.100 -0.323 0.000 0.836 388 R CB 1.040 30.920 30.300 -0.699 0.000 1.151 388 R HN 0.821 nan 8.270 nan 0.000 0.450 389 C N 4.469 123.662 119.300 -0.178 0.000 3.031 389 C HA 0.086 4.560 4.460 0.023 0.000 0.489 389 C C 0.654 175.377 174.990 -0.445 0.000 1.020 389 C CA -0.393 58.469 59.018 -0.260 0.000 1.104 389 C CB -2.032 25.674 27.740 -0.057 0.000 1.470 389 C HN 0.722 nan 8.230 nan 0.000 0.583 390 S N 1.896 117.199 115.700 -0.661 0.000 2.466 390 S HA 0.140 4.624 4.470 0.023 0.000 0.286 390 S C -0.114 173.620 174.600 -1.442 0.000 1.221 390 S CA 0.222 57.770 58.200 -1.086 0.000 1.091 390 S CB -0.013 62.532 63.200 -1.091 0.000 0.956 390 S HN 0.744 nan 8.310 nan 0.000 0.501 391 H N 3.726 122.189 119.070 -1.011 0.000 2.514 391 H HA 0.312 4.882 4.556 0.022 0.000 0.226 391 H C -1.185 174.013 175.328 -0.216 0.000 1.421 391 H CA -0.363 55.471 56.048 -0.356 0.000 1.394 391 H CB -0.085 29.663 29.762 -0.024 0.000 1.701 391 H HN 0.890 nan 8.280 nan 0.000 0.515 392 Y N -2.575 117.842 120.300 0.195 0.000 2.732 392 Y HA 0.405 4.969 4.550 0.023 0.000 0.342 392 Y C -3.295 172.722 175.900 0.194 0.000 1.203 392 Y CA -2.994 55.225 58.100 0.199 0.000 1.092 392 Y CB 0.049 38.632 38.460 0.205 0.000 1.345 392 Y HN -0.065 nan 8.280 nan 0.000 0.458 393 P HA 0.172 nan 4.420 nan 0.000 0.271 393 P C -0.626 176.979 177.300 0.509 0.000 1.216 393 P CA 0.020 63.382 63.100 0.437 0.000 0.776 393 P CB 0.604 32.489 31.700 0.308 0.000 0.881 394 N N 0.721 119.744 118.700 0.539 0.000 2.434 394 N HA 0.061 4.814 4.740 0.023 0.000 0.266 394 N C 0.195 175.982 175.510 0.462 0.000 1.223 394 N CA -0.490 52.798 53.050 0.398 0.000 0.972 394 N CB 0.327 38.836 38.487 0.036 0.000 1.207 394 N HN 0.614 nan 8.380 nan 0.000 0.525 395 H N 2.259 121.456 119.070 0.211 0.000 3.001 395 H HA 0.001 4.571 4.556 0.023 0.000 0.334 395 H C -1.655 173.852 175.328 0.299 0.000 1.034 395 H CA -0.865 55.285 56.048 0.170 0.000 1.420 395 H CB 0.941 30.764 29.762 0.102 0.000 1.405 395 H HN 0.432 nan 8.280 nan 0.000 0.593 396 P HA -0.233 nan 4.420 nan 0.000 0.216 396 P C 1.934 179.565 177.300 0.552 0.000 1.154 396 P CA 0.847 64.195 63.100 0.414 0.000 0.865 396 P CB 0.188 31.974 31.700 0.144 0.000 0.789 397 L N -0.714 120.908 121.223 0.664 0.000 2.129 397 L HA -0.122 4.231 4.340 0.023 0.000 0.212 397 L C 2.462 179.488 176.870 0.260 0.000 1.087 397 L CA 1.590 56.658 54.840 0.381 0.000 0.757 397 L CB -1.552 40.656 42.059 0.248 0.000 0.896 397 L HN 0.061 nan 8.230 nan 0.000 0.434 398 W N -0.426 120.902 121.300 0.048 0.000 2.304 398 W HA -0.384 4.289 4.660 0.022 0.000 0.315 398 W C 2.215 178.577 176.519 -0.261 0.000 1.233 398 W CA 2.274 59.511 57.345 -0.182 0.000 1.261 398 W CB -0.483 28.774 29.460 -0.338 0.000 1.150 398 W HN 0.296 nan 8.180 nan 0.000 0.494 399 Y N 0.809 121.032 120.300 -0.128 0.000 2.145 399 Y HA -0.242 4.321 4.550 0.022 0.000 0.286 399 Y C 2.863 178.536 175.900 -0.378 0.000 1.145 399 Y CA 2.292 60.104 58.100 -0.479 0.000 1.148 399 Y CB -1.371 36.459 38.460 -1.051 0.000 0.981 399 Y HN -0.200 nan 8.280 nan 0.000 0.507 400 T N 0.967 115.522 114.554 0.001 0.000 2.665 400 T HA -0.214 4.150 4.350 0.023 0.000 0.268 400 T C 2.033 176.766 174.700 0.055 0.000 1.035 400 T CA 1.683 63.864 62.100 0.135 0.000 1.151 400 T CB -0.666 68.315 68.868 0.188 0.000 0.862 400 T HN 0.243 nan 8.240 nan 0.000 0.438 401 L N 0.397 121.608 121.223 -0.021 0.000 2.046 401 L HA -0.122 4.232 4.340 0.023 0.000 0.208 401 L C 2.954 179.791 176.870 -0.055 0.000 1.077 401 L CA 1.115 55.961 54.840 0.011 0.000 0.747 401 L CB -0.801 41.190 42.059 -0.113 0.000 0.896 401 L HN 0.412 nan 8.230 nan 0.000 0.432 402 C N -0.273 118.819 119.300 -0.347 0.000 2.440 402 C HA -0.134 4.340 4.460 0.023 0.000 0.278 402 C C 2.389 177.417 174.990 0.063 0.000 1.295 402 C CA 0.281 59.139 59.018 -0.266 0.000 1.738 402 C CB -0.825 26.653 27.740 -0.436 0.000 1.987 402 C HN 0.540 nan 8.230 nan 0.000 0.492 403 D N 0.514 120.958 120.400 0.075 0.000 2.144 403 D HA -0.098 4.556 4.640 0.023 0.000 0.199 403 D C 2.382 178.893 176.300 0.351 0.000 0.984 403 D CA 1.208 55.346 54.000 0.230 0.000 0.834 403 D CB -0.339 40.564 40.800 0.171 0.000 0.955 403 D HN 0.539 nan 8.370 nan 0.000 0.465 404 R N -1.144 119.451 120.500 0.158 0.000 2.112 404 R HA 0.048 4.402 4.340 0.023 0.000 0.216 404 R C 2.064 178.321 176.300 -0.072 0.000 1.080 404 R CA 0.368 56.495 56.100 0.045 0.000 0.996 404 R CB -0.061 30.199 30.300 -0.066 0.000 0.902 404 R HN 0.252 nan 8.270 nan 0.000 0.449 405 Y N -0.008 120.299 120.300 0.012 0.000 2.365 405 Y HA 0.149 4.712 4.550 0.022 0.000 0.293 405 Y C 1.017 176.847 175.900 -0.116 0.000 1.119 405 Y CA 0.950 59.029 58.100 -0.034 0.000 1.203 405 Y CB 0.659 39.071 38.460 -0.080 0.000 1.026 405 Y HN 0.224 nan 8.280 nan 0.000 0.549 406 G N 1.076 109.904 108.800 0.046 0.000 2.780 406 G HA2 -0.129 3.845 3.960 0.023 0.000 0.364 406 G HA3 -0.129 3.845 3.960 0.023 0.000 0.364 406 G C -1.203 173.550 174.900 -0.246 0.000 1.045 406 G CA -0.575 44.413 45.100 -0.187 0.000 1.202 406 G HN 0.153 nan 8.290 nan 0.000 0.534 407 L N 0.995 122.151 121.223 -0.111 0.000 2.455 407 L HA 0.513 4.866 4.340 0.023 0.000 0.264 407 L C -0.130 176.772 176.870 0.054 0.000 0.968 407 L CA -1.261 53.502 54.840 -0.129 0.000 0.827 407 L CB 2.107 44.109 42.059 -0.095 0.000 1.317 407 L HN 0.447 nan 8.230 nan 0.000 0.407 408 Y N 1.863 122.305 120.300 0.236 0.000 2.335 408 Y HA 0.403 4.968 4.550 0.025 0.000 0.331 408 Y C 0.139 176.182 175.900 0.239 0.000 1.094 408 Y CA -0.708 57.564 58.100 0.287 0.000 1.253 408 Y CB 1.543 40.145 38.460 0.237 0.000 1.203 408 Y HN 0.166 nan 8.280 nan 0.000 0.508 409 V N 4.623 124.737 119.914 0.334 0.000 2.604 409 V HA 0.304 4.438 4.120 0.023 0.000 0.305 409 V C -0.589 175.597 176.094 0.153 0.000 1.043 409 V CA -1.008 61.430 62.300 0.231 0.000 0.888 409 V CB 1.931 33.852 31.823 0.163 0.000 0.995 409 V HN 0.441 nan 8.190 nan 0.000 0.429 410 V N 3.312 123.291 119.914 0.109 0.000 2.318 410 V HA 0.301 4.434 4.120 0.023 0.000 0.271 410 V C -0.208 175.932 176.094 0.077 0.000 1.030 410 V CA -0.400 61.911 62.300 0.018 0.000 0.844 410 V CB 1.246 32.982 31.823 -0.145 0.000 1.015 410 V HN 0.865 nan 8.190 nan 0.000 0.460 411 D N 4.133 124.619 120.400 0.142 0.000 2.277 411 D HA 0.316 4.969 4.640 0.023 0.000 0.249 411 D C -0.196 176.304 176.300 0.333 0.000 1.134 411 D CA -0.011 54.170 54.000 0.303 0.000 0.863 411 D CB 1.220 42.249 40.800 0.382 0.000 1.143 411 D HN 0.703 nan 8.370 nan 0.000 0.458 412 E N 1.913 122.274 120.200 0.267 0.000 2.210 412 E HA 0.620 4.984 4.350 0.023 0.000 0.266 412 E C -1.059 175.684 176.600 0.238 0.000 0.883 412 E CA -1.064 55.477 56.400 0.235 0.000 0.761 412 E CB 1.360 31.152 29.700 0.154 0.000 1.156 412 E HN 0.461 nan 8.360 nan 0.000 0.412 413 A N 3.732 126.682 122.820 0.216 0.000 2.483 413 A HA 0.061 4.395 4.320 0.023 0.000 0.238 413 A C 0.343 178.053 177.584 0.211 0.000 1.070 413 A CA -0.212 51.933 52.037 0.179 0.000 0.770 413 A CB 0.140 19.209 19.000 0.114 0.000 1.008 413 A HN 0.702 nan 8.150 nan 0.000 0.497 414 N N 1.173 120.006 118.700 0.222 0.000 2.971 414 N HA 0.228 4.982 4.740 0.023 0.000 0.294 414 N C -1.030 174.613 175.510 0.221 0.000 1.210 414 N CA 0.258 53.474 53.050 0.277 0.000 1.157 414 N CB -0.873 37.781 38.487 0.278 0.000 1.450 414 N HN 0.471 nan 8.380 nan 0.000 0.527 415 I N 1.064 121.759 120.570 0.207 0.000 2.503 415 I HA 0.250 4.434 4.170 0.023 0.000 0.282 415 I C -0.624 175.595 176.117 0.170 0.000 1.059 415 I CA -0.590 60.815 61.300 0.174 0.000 1.081 415 I CB 1.645 39.725 38.000 0.134 0.000 1.210 415 I HN 0.258 nan 8.210 nan 0.000 0.450 416 E N 4.340 124.631 120.200 0.151 0.000 2.287 416 E HA 0.361 4.725 4.350 0.023 0.000 0.274 416 E C -0.521 176.132 176.600 0.087 0.000 0.896 416 E CA -0.490 55.965 56.400 0.092 0.000 0.788 416 E CB 1.579 31.302 29.700 0.040 0.000 1.244 416 E HN 0.569 nan 8.360 nan 0.000 0.408 417 T N 0.672 115.270 114.554 0.072 0.000 3.355 417 T HA 0.149 4.512 4.350 0.023 0.000 0.276 417 T C 0.926 175.663 174.700 0.062 0.000 1.003 417 T CA -0.268 61.900 62.100 0.112 0.000 0.943 417 T CB -0.328 68.591 68.868 0.085 0.000 1.158 417 T HN 0.683 nan 8.240 nan 0.000 0.513 418 H N 1.052 120.030 119.070 -0.153 0.000 2.400 418 H HA -0.109 4.461 4.556 0.024 0.000 0.295 418 H C 2.325 177.535 175.328 -0.197 0.000 1.118 418 H CA 1.475 57.408 56.048 -0.191 0.000 1.256 418 H CB -0.229 29.378 29.762 -0.257 0.000 1.365 418 H HN 0.587 nan 8.280 nan 0.000 0.502 419 G N 0.264 108.959 108.800 -0.174 0.000 2.471 419 G HA2 -0.119 3.855 3.960 0.023 0.000 0.219 419 G HA3 -0.119 3.855 3.960 0.023 0.000 0.219 419 G C 0.613 175.666 174.900 0.256 0.000 1.125 419 G CA 0.095 45.114 45.100 -0.136 0.000 0.775 419 G HN 0.145 nan 8.290 nan 0.000 0.548 420 M N 0.172 119.947 119.600 0.291 0.000 2.207 420 M HA 0.345 4.839 4.480 0.023 0.000 0.311 420 M C -0.340 175.996 176.300 0.061 0.000 1.127 420 M CA -0.363 55.029 55.300 0.154 0.000 1.181 420 M CB 1.233 33.868 32.600 0.060 0.000 1.409 420 M HN -0.188 nan 8.290 nan 0.000 0.461 421 V N 3.488 123.415 119.914 0.021 0.000 2.488 421 V HA 0.361 4.495 4.120 0.023 0.000 0.293 421 V C -1.966 174.119 176.094 -0.015 0.000 1.027 421 V CA -1.260 61.038 62.300 -0.002 0.000 0.862 421 V CB 1.801 33.618 31.823 -0.010 0.000 1.008 421 V HN 0.749 nan 8.190 nan 0.000 0.428 422 P HA 0.268 nan 4.420 nan 0.000 0.275 422 P C 1.022 178.322 177.300 -0.001 0.000 1.266 422 P CA -0.542 62.553 63.100 -0.008 0.000 0.793 422 P CB 1.092 32.790 31.700 -0.004 0.000 1.074 423 M N 0.605 120.208 119.600 0.005 0.000 2.202 423 M HA -0.179 4.315 4.480 0.023 0.000 0.262 423 M C 1.163 177.476 176.300 0.021 0.000 1.063 423 M CA 1.927 57.236 55.300 0.014 0.000 1.097 423 M CB -0.495 32.097 32.600 -0.014 0.000 1.382 423 M HN 0.386 nan 8.290 nan 0.000 0.413 424 N N -0.104 118.611 118.700 0.025 0.000 2.313 424 N HA -0.066 4.688 4.740 0.023 0.000 0.207 424 N C 1.104 176.591 175.510 -0.039 0.000 1.141 424 N CA 0.133 53.196 53.050 0.021 0.000 0.830 424 N CB -0.735 37.788 38.487 0.060 0.000 1.008 424 N HN 0.365 nan 8.380 nan 0.000 0.481 425 R N 0.388 120.853 120.500 -0.058 0.000 2.091 425 R HA -0.005 4.349 4.340 0.023 0.000 0.238 425 R C 1.361 177.563 176.300 -0.164 0.000 1.136 425 R CA 1.291 57.335 56.100 -0.093 0.000 0.959 425 R CB -0.051 30.191 30.300 -0.095 0.000 0.856 425 R HN 0.301 nan 8.270 nan 0.000 0.437 426 L N -0.435 120.632 121.223 -0.260 0.000 2.202 426 L HA -0.015 4.339 4.340 0.023 0.000 0.205 426 L C 2.508 179.246 176.870 -0.219 0.000 1.083 426 L CA 1.328 55.899 54.840 -0.448 0.000 0.790 426 L CB -0.489 41.052 42.059 -0.864 0.000 0.942 426 L HN 0.372 nan 8.230 nan 0.000 0.452 427 T N -4.367 110.079 114.554 -0.181 0.000 2.995 427 T HA -0.155 4.209 4.350 0.023 0.000 0.269 427 T C 1.348 175.932 174.700 -0.194 0.000 1.091 427 T CA 1.121 63.080 62.100 -0.235 0.000 1.128 427 T CB -0.190 68.455 68.868 -0.371 0.000 0.891 427 T HN 0.084 nan 8.240 nan 0.000 0.492 428 D N 1.308 121.640 120.400 -0.113 0.000 2.339 428 D HA 0.101 4.755 4.640 0.023 0.000 0.217 428 D C -0.178 176.099 176.300 -0.039 0.000 1.050 428 D CA -0.121 53.833 54.000 -0.078 0.000 0.856 428 D CB -0.139 40.636 40.800 -0.042 0.000 0.922 428 D HN 0.338 nan 8.370 nan 0.000 0.518 429 D N -0.365 120.026 120.400 -0.016 0.000 2.274 429 D HA 0.129 4.783 4.640 0.023 0.000 0.239 429 D C -1.771 174.568 176.300 0.064 0.000 1.104 429 D CA -2.213 51.815 54.000 0.046 0.000 0.840 429 D CB 2.044 42.916 40.800 0.121 0.000 1.100 429 D HN -0.050 nan 8.370 nan 0.000 0.477 430 P HA -0.044 nan 4.420 nan 0.000 0.225 430 P C 0.877 178.170 177.300 -0.011 0.000 1.148 430 P CA 0.712 63.812 63.100 0.001 0.000 0.779 430 P CB 0.257 31.951 31.700 -0.011 0.000 0.780 431 R N -2.058 118.446 120.500 0.006 0.000 2.280 431 R HA -0.022 4.331 4.340 0.023 0.000 0.207 431 R C 1.291 177.453 176.300 -0.230 0.000 1.043 431 R CA 0.895 56.934 56.100 -0.100 0.000 1.006 431 R CB -0.491 29.740 30.300 -0.116 0.000 0.885 431 R HN 0.306 nan 8.270 nan 0.000 0.467 432 W N -0.032 121.209 121.300 -0.097 0.000 3.220 432 W HA 0.162 4.835 4.660 0.022 0.000 0.328 432 W C 1.458 177.913 176.519 -0.106 0.000 1.205 432 W CA -0.509 56.778 57.345 -0.098 0.000 1.773 432 W CB 0.173 29.572 29.460 -0.102 0.000 1.086 432 W HN 0.004 nan 8.180 nan 0.000 0.622 433 L N 2.266 123.502 121.223 0.021 0.000 2.012 433 L HA -0.074 4.279 4.340 0.023 0.000 0.210 433 L C -0.675 176.150 176.870 -0.075 0.000 1.073 433 L CA 2.303 57.120 54.840 -0.038 0.000 0.748 433 L CB -1.581 40.448 42.059 -0.050 0.000 0.891 433 L HN -0.239 nan 8.230 nan 0.000 0.431 434 P HA -0.138 nan 4.420 nan 0.000 0.215 434 P C 1.567 178.803 177.300 -0.106 0.000 1.157 434 P CA 2.125 65.154 63.100 -0.117 0.000 0.863 434 P CB -0.250 31.374 31.700 -0.127 0.000 0.787 435 A N -0.972 121.796 122.820 -0.088 0.000 1.902 435 A HA -0.171 4.163 4.320 0.023 0.000 0.217 435 A C 2.295 179.887 177.584 0.014 0.000 1.181 435 A CA 1.889 53.909 52.037 -0.029 0.000 0.623 435 A CB -1.474 17.525 19.000 -0.002 0.000 0.818 435 A HN 0.093 nan 8.150 nan 0.000 0.443 436 M N 0.175 119.794 119.600 0.030 0.000 2.132 436 M HA -0.148 4.346 4.480 0.023 0.000 0.263 436 M C 2.597 178.847 176.300 -0.084 0.000 1.065 436 M CA 1.698 56.999 55.300 0.001 0.000 1.122 436 M CB -0.342 32.241 32.600 -0.029 0.000 1.365 436 M HN 0.683 nan 8.290 nan 0.000 0.411 437 S N 0.587 116.206 115.700 -0.135 0.000 2.365 437 S HA -0.238 4.246 4.470 0.023 0.000 0.225 437 S C 1.561 175.993 174.600 -0.279 0.000 1.039 437 S CA 1.844 59.900 58.200 -0.241 0.000 1.033 437 S CB -0.773 62.256 63.200 -0.285 0.000 0.887 437 S HN 0.551 nan 8.310 nan 0.000 0.447 438 E N 0.751 120.830 120.200 -0.201 0.000 2.265 438 E HA -0.073 4.291 4.350 0.023 0.000 0.196 438 E C 2.342 178.851 176.600 -0.152 0.000 0.996 438 E CA 0.786 57.071 56.400 -0.192 0.000 0.832 438 E CB -0.128 29.497 29.700 -0.126 0.000 0.756 438 E HN 0.540 nan 8.360 nan 0.000 0.491 439 R N -0.157 120.283 120.500 -0.100 0.000 2.148 439 R HA -0.059 4.295 4.340 0.023 0.000 0.223 439 R C 2.098 178.358 176.300 -0.067 0.000 1.088 439 R CA 0.617 56.695 56.100 -0.037 0.000 0.985 439 R CB 0.161 30.479 30.300 0.031 0.000 0.880 439 R HN 0.017 nan 8.270 nan 0.000 0.451 440 V N -0.247 119.578 119.914 -0.149 0.000 2.374 440 V HA -0.154 3.979 4.120 0.023 0.000 0.241 440 V C 2.308 178.206 176.094 -0.328 0.000 1.034 440 V CA 2.009 64.193 62.300 -0.193 0.000 1.037 440 V CB -0.254 31.452 31.823 -0.196 0.000 0.682 440 V HN 0.502 nan 8.190 nan 0.000 0.463 441 T N 0.036 114.265 114.554 -0.541 0.000 2.788 441 T HA -0.242 4.122 4.350 0.023 0.000 0.268 441 T C 1.847 176.373 174.700 -0.288 0.000 1.044 441 T CA 1.491 63.177 62.100 -0.689 0.000 1.139 441 T CB -0.436 67.866 68.868 -0.944 0.000 0.867 441 T HN 0.477 nan 8.240 nan 0.000 0.454 442 R N 0.481 120.847 120.500 -0.224 0.000 2.235 442 R HA 0.295 4.648 4.340 0.023 0.000 0.213 442 R C 2.568 178.790 176.300 -0.130 0.000 1.059 442 R CA 1.047 57.053 56.100 -0.156 0.000 0.997 442 R CB -0.507 29.708 30.300 -0.142 0.000 0.884 442 R HN 0.481 nan 8.270 nan 0.000 0.462 443 M N 0.635 120.162 119.600 -0.122 0.000 2.123 443 M HA -0.095 4.399 4.480 0.023 0.000 0.263 443 M C 1.768 177.998 176.300 -0.117 0.000 1.069 443 M CA 1.536 56.798 55.300 -0.063 0.000 1.133 443 M CB 0.136 32.742 32.600 0.010 0.000 1.356 443 M HN -0.017 nan 8.290 nan 0.000 0.415 444 V N 1.267 121.000 119.914 -0.302 0.000 2.295 444 V HA -0.302 3.832 4.120 0.023 0.000 0.246 444 V C 2.310 178.300 176.094 -0.173 0.000 1.049 444 V CA 2.135 64.134 62.300 -0.501 0.000 1.024 444 V CB -1.010 30.474 31.823 -0.565 0.000 0.648 444 V HN 0.593 nan 8.190 nan 0.000 0.447 445 Q N -0.764 118.969 119.800 -0.113 0.000 2.181 445 Q HA -0.243 4.111 4.340 0.023 0.000 0.205 445 Q C 2.471 178.397 176.000 -0.124 0.000 0.980 445 Q CA 1.641 57.389 55.803 -0.090 0.000 0.862 445 Q CB -0.181 28.517 28.738 -0.067 0.000 0.905 445 Q HN 0.525 nan 8.270 nan 0.000 0.429 446 R N 0.179 120.598 120.500 -0.135 0.000 2.066 446 R HA -0.085 4.268 4.340 0.023 0.000 0.224 446 R C 0.660 176.898 176.300 -0.103 0.000 1.122 446 R CA 1.286 57.286 56.100 -0.166 0.000 0.974 446 R CB 0.395 30.593 30.300 -0.170 0.000 0.871 446 R HN 0.152 nan 8.270 nan 0.000 0.435 447 D N -0.169 120.231 120.400 -0.000 0.000 2.379 447 D HA -0.016 4.638 4.640 0.023 0.000 0.208 447 D C 1.438 177.853 176.300 0.192 0.000 1.065 447 D CA 0.156 54.206 54.000 0.084 0.000 0.848 447 D CB 0.177 40.995 40.800 0.029 0.000 0.949 447 D HN 0.340 nan 8.370 nan 0.000 0.509 448 R N 0.799 121.439 120.500 0.233 0.000 2.211 448 R HA -0.060 4.293 4.340 0.023 0.000 0.240 448 R C 0.706 177.020 176.300 0.022 0.000 1.144 448 R CA 1.025 57.268 56.100 0.239 0.000 0.992 448 R CB -0.370 30.004 30.300 0.123 0.000 0.869 448 R HN -0.024 nan 8.270 nan 0.000 0.462 449 N N 0.193 118.830 118.700 -0.105 0.000 2.280 449 N HA 0.012 4.766 4.740 0.023 0.000 0.192 449 N C -0.568 174.796 175.510 -0.244 0.000 1.109 449 N CA 0.185 53.128 53.050 -0.179 0.000 0.855 449 N CB 0.197 38.552 38.487 -0.219 0.000 0.974 449 N HN 0.293 nan 8.380 nan 0.000 0.482 450 H N 1.273 120.284 119.070 -0.099 0.000 2.604 450 H HA 0.146 4.715 4.556 0.022 0.000 0.306 450 H C -1.243 173.932 175.328 -0.255 0.000 1.075 450 H CA -1.416 54.558 56.048 -0.124 0.000 1.357 450 H CB 1.751 31.491 29.762 -0.036 0.000 1.426 450 H HN 0.005 nan 8.280 nan 0.000 0.470 451 P HA -0.160 nan 4.420 nan 0.000 0.218 451 P C 1.468 178.275 177.300 -0.822 0.000 1.149 451 P CA 1.187 63.899 63.100 -0.647 0.000 0.817 451 P CB 0.265 31.298 31.700 -1.111 0.000 0.785 452 S N -0.895 114.439 115.700 -0.610 0.000 2.419 452 S HA -0.047 4.436 4.470 0.023 0.000 0.233 452 S C 1.089 175.662 174.600 -0.045 0.000 1.016 452 S CA 0.391 58.430 58.200 -0.269 0.000 0.974 452 S CB -1.487 61.712 63.200 -0.001 0.000 0.786 452 S HN -0.064 nan 8.310 nan 0.000 0.492 453 V N 3.556 123.417 119.914 -0.089 0.000 2.439 453 V HA 0.243 4.377 4.120 0.023 0.000 0.271 453 V C 1.058 177.017 176.094 -0.225 0.000 1.040 453 V CA 0.001 62.217 62.300 -0.141 0.000 1.002 453 V CB 0.415 32.062 31.823 -0.295 0.000 1.000 453 V HN 0.641 nan 8.190 nan 0.000 0.477 454 I N 2.666 123.163 120.570 -0.123 0.000 4.288 454 I HA 0.519 4.703 4.170 0.023 0.000 0.331 454 I C 0.339 176.352 176.117 -0.174 0.000 1.322 454 I CA 0.479 61.711 61.300 -0.114 0.000 1.149 454 I CB 0.477 38.500 38.000 0.039 0.000 1.112 454 I HN 0.317 nan 8.210 nan 0.000 0.403 455 I N 0.250 120.697 120.570 -0.205 0.000 2.722 455 I HA 0.361 4.544 4.170 0.023 0.000 0.295 455 I C -1.574 174.456 176.117 -0.145 0.000 1.161 455 I CA -0.443 60.775 61.300 -0.136 0.000 1.032 455 I CB 2.088 40.100 38.000 0.019 0.000 1.244 455 I HN 0.018 nan 8.210 nan 0.000 0.421 456 W N 3.932 125.284 121.300 0.087 0.000 2.469 456 W HA 0.616 5.287 4.660 0.019 0.000 0.320 456 W C 0.361 176.948 176.519 0.113 0.000 1.086 456 W CA -0.704 56.699 57.345 0.096 0.000 1.211 456 W CB 1.615 31.128 29.460 0.087 0.000 1.298 456 W HN 0.302 nan 8.180 nan 0.000 0.525 457 S N 3.080 119.020 115.700 0.401 0.000 2.502 457 S HA 0.370 4.854 4.470 0.023 0.000 0.304 457 S C 0.369 175.137 174.600 0.280 0.000 1.097 457 S CA -0.707 57.670 58.200 0.296 0.000 1.045 457 S CB 0.775 64.100 63.200 0.207 0.000 1.019 457 S HN 0.596 nan 8.310 nan 0.000 0.481 458 L N 4.372 125.757 121.223 0.269 0.000 2.622 458 L HA 0.276 4.630 4.340 0.023 0.000 0.233 458 L C 1.561 178.512 176.870 0.135 0.000 1.156 458 L CA 0.663 55.583 54.840 0.133 0.000 0.866 458 L CB -1.238 40.777 42.059 -0.073 0.000 0.980 458 L HN 1.031 nan 8.230 nan 0.000 0.448 459 G N -0.032 108.927 108.800 0.266 0.000 2.301 459 G HA2 -0.172 3.802 3.960 0.023 0.000 0.194 459 G HA3 -0.172 3.802 3.960 0.023 0.000 0.194 459 G C -1.344 173.743 174.900 0.311 0.000 1.266 459 G CA -0.274 44.985 45.100 0.265 0.000 1.210 459 G HN 0.240 nan 8.290 nan 0.000 0.524 460 N N 0.275 119.108 118.700 0.222 0.000 2.405 460 N HA 0.462 5.216 4.740 0.023 0.000 0.274 460 N C -0.519 174.949 175.510 -0.071 0.000 1.170 460 N CA 0.185 53.228 53.050 -0.013 0.000 0.848 460 N CB 1.487 39.716 38.487 -0.430 0.000 1.629 460 N HN 0.903 nan 8.380 nan 0.000 0.481 461 E N 0.526 120.587 120.200 -0.232 0.000 2.149 461 E HA -0.185 4.179 4.350 0.023 0.000 0.191 461 E C -0.774 175.736 176.600 -0.151 0.000 1.384 461 E CA 0.784 56.973 56.400 -0.353 0.000 0.698 461 E CB -1.343 27.918 29.700 -0.733 0.000 1.086 461 E HN 0.420 nan 8.360 nan 0.000 0.338 462 S N -0.050 115.710 115.700 0.099 0.000 2.843 462 S HA 0.397 4.881 4.470 0.023 0.000 0.249 462 S C 0.736 175.497 174.600 0.267 0.000 1.047 462 S CA -0.137 58.184 58.200 0.203 0.000 1.042 462 S CB 1.349 64.731 63.200 0.303 0.000 0.936 462 S HN 0.835 nan 8.310 nan 0.000 0.531 463 G N 2.089 110.978 108.800 0.149 0.000 2.575 463 G HA2 -0.265 3.709 3.960 0.023 0.000 0.267 463 G HA3 -0.265 3.709 3.960 0.023 0.000 0.267 463 G C -0.516 174.590 174.900 0.344 0.000 1.264 463 G CA -0.043 45.149 45.100 0.153 0.000 0.935 463 G HN 0.618 nan 8.290 nan 0.000 0.568 464 H N 0.856 120.066 119.070 0.233 0.000 2.823 464 H HA 0.609 5.178 4.556 0.023 0.000 0.332 464 H C 0.294 175.796 175.328 0.290 0.000 0.980 464 H CA 0.325 56.565 56.048 0.320 0.000 1.286 464 H CB 0.791 30.673 29.762 0.199 0.000 1.541 464 H HN 1.151 nan 8.280 nan 0.000 0.521 465 G N 1.500 110.224 108.800 -0.127 0.000 2.685 465 G HA2 0.473 4.447 3.960 0.023 0.000 0.298 465 G HA3 0.473 4.447 3.960 0.023 0.000 0.298 465 G C 0.545 175.191 174.900 -0.423 0.000 1.277 465 G CA -0.180 44.758 45.100 -0.270 0.000 0.986 465 G HN 0.656 nan 8.290 nan 0.000 0.487 466 A N 0.089 122.783 122.820 -0.210 0.000 1.972 466 A HA -0.079 4.255 4.320 0.023 0.000 0.219 466 A C 2.130 179.650 177.584 -0.107 0.000 1.169 466 A CA 1.879 53.849 52.037 -0.112 0.000 0.635 466 A CB -0.463 18.514 19.000 -0.039 0.000 0.810 466 A HN 0.521 nan 8.150 nan 0.000 0.446 467 N N -0.254 118.343 118.700 -0.170 0.000 2.223 467 N HA -0.146 4.608 4.740 0.023 0.000 0.185 467 N C 1.390 176.802 175.510 -0.164 0.000 1.016 467 N CA 1.693 54.642 53.050 -0.168 0.000 0.863 467 N CB -0.669 37.680 38.487 -0.230 0.000 0.983 467 N HN 0.785 nan 8.380 nan 0.000 0.429 468 H N 0.302 119.269 119.070 -0.171 0.000 2.353 468 H HA -0.024 4.545 4.556 0.022 0.000 0.300 468 H C 1.236 176.560 175.328 -0.006 0.000 1.090 468 H CA 1.283 57.229 56.048 -0.170 0.000 1.327 468 H CB 0.172 29.756 29.762 -0.298 0.000 1.383 468 H HN 0.211 nan 8.280 nan 0.000 0.508 469 D N 0.364 120.846 120.400 0.136 0.000 2.117 469 D HA -0.113 4.541 4.640 0.023 0.000 0.198 469 D C 2.302 178.729 176.300 0.212 0.000 0.982 469 D CA 1.107 55.228 54.000 0.201 0.000 0.828 469 D CB -0.346 40.562 40.800 0.179 0.000 0.967 469 D HN 0.422 nan 8.370 nan 0.000 0.464 470 A N 1.008 123.902 122.820 0.124 0.000 1.902 470 A HA -0.120 4.214 4.320 0.023 0.000 0.217 470 A C 2.402 180.081 177.584 0.158 0.000 1.181 470 A CA 0.913 53.021 52.037 0.120 0.000 0.623 470 A CB -0.779 18.249 19.000 0.047 0.000 0.818 470 A HN 0.188 nan 8.150 nan 0.000 0.443 471 L N -2.025 119.274 121.223 0.125 0.000 2.156 471 L HA -0.145 4.209 4.340 0.023 0.000 0.208 471 L C 2.551 179.552 176.870 0.219 0.000 1.095 471 L CA 1.444 56.360 54.840 0.127 0.000 0.770 471 L CB -0.569 41.500 42.059 0.016 0.000 0.914 471 L HN 0.650 nan 8.230 nan 0.000 0.439 472 Y N 1.015 121.389 120.300 0.123 0.000 2.145 472 Y HA -0.295 4.264 4.550 0.015 0.000 0.286 472 Y C 2.786 178.765 175.900 0.132 0.000 1.145 472 Y CA 1.609 59.789 58.100 0.133 0.000 1.148 472 Y CB -0.088 38.453 38.460 0.136 0.000 0.981 472 Y HN -0.043 nan 8.280 nan 0.000 0.507 473 R N -0.041 120.577 120.500 0.198 0.000 2.075 473 R HA -0.184 4.170 4.340 0.023 0.000 0.232 473 R C 2.024 178.340 176.300 0.027 0.000 1.126 473 R CA 1.882 58.024 56.100 0.070 0.000 0.963 473 R CB -1.555 28.855 30.300 0.184 0.000 0.858 473 R HN 0.637 nan 8.270 nan 0.000 0.435 474 W N 0.665 121.928 121.300 -0.061 0.000 2.318 474 W HA -0.186 4.489 4.660 0.025 0.000 0.313 474 W C 1.617 178.051 176.519 -0.141 0.000 1.221 474 W CA 2.171 59.464 57.345 -0.087 0.000 1.266 474 W CB -0.271 29.137 29.460 -0.086 0.000 1.150 474 W HN 0.104 nan 8.180 nan 0.000 0.496 475 I N 0.695 121.260 120.570 -0.009 0.000 2.179 475 I HA -0.330 3.854 4.170 0.023 0.000 0.242 475 I C 2.429 178.351 176.117 -0.326 0.000 1.088 475 I CA 1.329 62.469 61.300 -0.266 0.000 1.357 475 I CB -0.743 37.182 38.000 -0.125 0.000 1.051 475 I HN -0.135 nan 8.210 nan 0.000 0.409 476 K N 0.568 120.789 120.400 -0.299 0.000 2.209 476 K HA -0.151 4.183 4.320 0.023 0.000 0.204 476 K C 2.291 178.755 176.600 -0.227 0.000 1.048 476 K CA 1.643 57.772 56.287 -0.263 0.000 0.940 476 K CB -0.465 31.829 32.500 -0.343 0.000 0.729 476 K HN 0.373 nan 8.250 nan 0.000 0.451 477 S N 0.992 116.522 115.700 -0.282 0.000 2.377 477 S HA -0.090 4.394 4.470 0.023 0.000 0.223 477 S C 2.084 176.475 174.600 -0.348 0.000 1.030 477 S CA 1.189 59.227 58.200 -0.269 0.000 0.970 477 S CB -0.265 62.806 63.200 -0.216 0.000 0.830 477 S HN 0.136 nan 8.310 nan 0.000 0.473 478 V N -0.478 119.085 119.914 -0.585 0.000 2.951 478 V HA 0.265 4.399 4.120 0.023 0.000 0.255 478 V C 0.286 176.149 176.094 -0.385 0.000 1.088 478 V CA 1.534 63.481 62.300 -0.588 0.000 1.109 478 V CB -0.480 30.756 31.823 -0.979 0.000 0.724 478 V HN 0.501 nan 8.190 nan 0.000 0.471 479 D N 0.191 120.418 120.400 -0.288 0.000 2.429 479 D HA 0.397 5.050 4.640 0.023 0.000 0.255 479 D C -2.172 174.119 176.300 -0.015 0.000 1.257 479 D CA -1.747 52.195 54.000 -0.097 0.000 0.890 479 D CB 1.618 42.448 40.800 0.051 0.000 1.267 479 D HN 0.191 nan 8.370 nan 0.000 0.521 480 P HA -0.054 nan 4.420 nan 0.000 0.230 480 P C 1.261 178.579 177.300 0.030 0.000 1.158 480 P CA 0.521 63.614 63.100 -0.011 0.000 0.769 480 P CB 0.128 31.818 31.700 -0.017 0.000 0.807 481 S N -1.255 114.471 115.700 0.043 0.000 2.515 481 S HA -0.004 4.479 4.470 0.023 0.000 0.231 481 S C 0.863 175.485 174.600 0.037 0.000 0.987 481 S CA 0.103 58.332 58.200 0.049 0.000 0.936 481 S CB -0.487 62.736 63.200 0.039 0.000 0.766 481 S HN 0.077 nan 8.310 nan 0.000 0.528 482 R N 1.130 121.663 120.500 0.054 0.000 2.621 482 R HA 0.543 4.896 4.340 0.023 0.000 0.284 482 R C -3.166 173.177 176.300 0.072 0.000 0.998 482 R CA -2.315 53.780 56.100 -0.009 0.000 0.895 482 R CB 1.575 31.733 30.300 -0.238 0.000 1.195 482 R HN 0.148 nan 8.270 nan 0.000 0.450 483 P HA 0.056 nan 4.420 nan 0.000 0.270 483 P C -0.688 176.718 177.300 0.176 0.000 1.223 483 P CA -0.357 62.805 63.100 0.102 0.000 0.785 483 P CB 0.611 32.360 31.700 0.082 0.000 0.923 484 V N 2.304 122.344 119.914 0.211 0.000 2.435 484 V HA 0.398 4.531 4.120 0.023 0.000 0.290 484 V C 0.380 176.667 176.094 0.322 0.000 1.030 484 V CA -0.219 62.254 62.300 0.289 0.000 0.881 484 V CB 0.973 32.910 31.823 0.191 0.000 0.983 484 V HN 0.645 nan 8.190 nan 0.000 0.445 485 Q N 3.952 123.926 119.800 0.290 0.000 2.458 485 Q HA 0.790 5.144 4.340 0.023 0.000 0.282 485 Q C -1.897 174.280 176.000 0.295 0.000 1.106 485 Q CA -0.914 55.033 55.803 0.239 0.000 0.814 485 Q CB 2.949 31.772 28.738 0.142 0.000 1.425 485 Q HN 0.639 nan 8.270 nan 0.000 0.437 486 Y N 0.057 120.388 120.300 0.051 0.000 2.357 486 Y HA 0.144 4.706 4.550 0.021 0.000 0.319 486 Y C -0.469 175.398 175.900 -0.055 0.000 1.225 486 Y CA -0.664 57.431 58.100 -0.008 0.000 1.095 486 Y CB 2.012 40.451 38.460 -0.035 0.000 1.302 486 Y HN 0.957 nan 8.280 nan 0.000 0.429 487 E N 3.408 123.147 120.200 -0.768 0.000 2.230 487 E HA 0.105 4.469 4.350 0.023 0.000 0.192 487 E C 0.693 176.870 176.600 -0.706 0.000 0.987 487 E CA 0.770 56.812 56.400 -0.597 0.000 0.841 487 E CB 0.211 29.681 29.700 -0.382 0.000 0.783 487 E HN 0.886 nan 8.360 nan 0.000 0.481 488 G N -0.316 107.673 108.800 -1.351 0.000 2.484 488 G HA2 0.245 4.218 3.960 0.023 0.000 0.235 488 G HA3 0.245 4.218 3.960 0.023 0.000 0.235 488 G C 0.763 175.571 174.900 -0.153 0.000 1.282 488 G CA 0.276 45.005 45.100 -0.619 0.000 0.857 488 G HN 0.341 nan 8.290 nan 0.000 0.571 489 G N -0.556 108.236 108.800 -0.013 0.000 2.147 489 G HA2 0.241 4.215 3.960 0.023 0.000 0.244 489 G HA3 0.241 4.215 3.960 0.023 0.000 0.244 489 G C 1.244 176.165 174.900 0.034 0.000 1.005 489 G CA 0.925 46.072 45.100 0.077 0.000 0.713 489 G HN 2.619 nan 8.290 nan 0.000 0.515 490 G N -1.427 107.388 108.800 0.026 0.000 2.192 490 G HA2 0.434 4.408 3.960 0.023 0.000 0.193 490 G HA3 0.434 4.408 3.960 0.023 0.000 0.193 490 G C 1.040 176.076 174.900 0.226 0.000 0.999 490 G CA 1.368 46.541 45.100 0.122 0.000 0.659 490 G HN 2.356 nan 8.290 nan 0.000 0.503 491 A N -0.240 122.605 122.820 0.042 0.000 3.661 491 A HA -0.145 4.188 4.320 0.023 0.000 0.269 491 A C 1.122 178.656 177.584 -0.084 0.000 1.056 491 A CA 2.624 54.625 52.037 -0.059 0.000 1.159 491 A CB -1.782 17.158 19.000 -0.100 0.000 1.105 491 A HN 2.110 nan 8.150 nan 0.000 0.907 492 D N -0.568 119.866 120.400 0.058 0.000 2.740 492 D HA 0.327 4.981 4.640 0.023 0.000 0.301 492 D C 0.428 176.738 176.300 0.017 0.000 1.408 492 D CA 0.869 54.901 54.000 0.053 0.000 0.808 492 D CB -1.102 39.858 40.800 0.266 0.000 1.128 492 D HN 0.839 nan 8.370 nan 0.000 0.465 493 T N -2.448 112.068 114.554 -0.063 0.000 2.729 493 T HA 0.201 4.565 4.350 0.023 0.000 0.298 493 T C 1.580 176.170 174.700 -0.182 0.000 1.013 493 T CA 0.451 62.440 62.100 -0.185 0.000 0.957 493 T CB 0.845 69.448 68.868 -0.441 0.000 1.130 493 T HN 0.079 nan 8.240 nan 0.000 0.526 494 T N -2.669 111.745 114.554 -0.233 0.000 3.163 494 T HA 0.239 4.603 4.350 0.023 0.000 0.260 494 T C 1.502 175.963 174.700 -0.399 0.000 1.156 494 T CA 0.245 62.213 62.100 -0.220 0.000 1.072 494 T CB -0.530 68.270 68.868 -0.114 0.000 0.937 494 T HN 0.825 nan 8.240 nan 0.000 0.528 495 A N 0.371 123.039 122.820 -0.253 0.000 2.460 495 A HA 0.506 4.840 4.320 0.023 0.000 0.258 495 A C 0.829 178.302 177.584 -0.184 0.000 1.300 495 A CA -0.286 51.587 52.037 -0.273 0.000 0.913 495 A CB 0.055 19.168 19.000 0.188 0.000 1.031 495 A HN 0.436 nan 8.150 nan 0.000 0.512 496 T N -1.341 113.087 114.554 -0.209 0.000 2.952 496 T HA 0.360 4.723 4.350 0.023 0.000 0.305 496 T C -0.683 174.061 174.700 0.073 0.000 1.064 496 T CA -0.433 61.698 62.100 0.053 0.000 1.008 496 T CB 1.257 70.157 68.868 0.054 0.000 1.078 496 T HN 0.075 nan 8.240 nan 0.000 0.459 497 D N 2.912 123.440 120.400 0.213 0.000 2.349 497 D HA 0.272 4.925 4.640 0.023 0.000 0.215 497 D C 0.294 176.637 176.300 0.071 0.000 1.016 497 D CA 0.651 54.750 54.000 0.165 0.000 0.870 497 D CB 0.360 41.284 40.800 0.207 0.000 0.917 497 D HN 0.544 nan 8.370 nan 0.000 0.524 498 I N 1.064 121.659 120.570 0.042 0.000 2.533 498 I HA 0.255 4.438 4.170 0.023 0.000 0.290 498 I C -0.144 175.915 176.117 -0.097 0.000 1.056 498 I CA -0.870 60.417 61.300 -0.022 0.000 1.057 498 I CB 2.762 40.762 38.000 0.000 0.000 1.240 498 I HN -0.349 nan 8.210 nan 0.000 0.423 499 I N 5.895 126.357 120.570 -0.180 0.000 2.483 499 I HA 0.035 4.218 4.170 0.023 0.000 0.291 499 I C 0.257 176.164 176.117 -0.349 0.000 1.112 499 I CA 0.015 61.104 61.300 -0.352 0.000 1.350 499 I CB 0.002 37.683 38.000 -0.532 0.000 1.419 499 I HN 0.678 nan 8.210 nan 0.000 0.523 500 C N 5.639 124.755 119.300 -0.307 0.000 3.276 500 C HA 0.490 4.963 4.460 0.023 0.000 0.226 500 C C -2.127 172.737 174.990 -0.210 0.000 1.502 500 C CA -2.264 56.629 59.018 -0.209 0.000 1.488 500 C CB -0.909 26.767 27.740 -0.106 0.000 2.014 500 C HN 0.409 nan 8.230 nan 0.000 0.492 501 P HA 0.348 nan 4.420 nan 0.000 0.274 501 P C -0.426 176.821 177.300 -0.089 0.000 1.256 501 P CA 0.076 63.087 63.100 -0.148 0.000 0.795 501 P CB 0.785 32.434 31.700 -0.084 0.000 1.038 502 M N 0.009 119.572 119.600 -0.061 0.000 2.167 502 M HA 0.433 4.926 4.480 0.023 0.000 0.333 502 M C -0.802 175.433 176.300 -0.108 0.000 1.030 502 M CA -0.648 54.505 55.300 -0.245 0.000 0.963 502 M CB 0.920 33.369 32.600 -0.251 0.000 1.589 502 M HN 0.328 nan 8.290 nan 0.000 0.431 503 Y N -0.188 120.279 120.300 0.277 0.000 4.409 503 Y HA -0.218 4.346 4.550 0.024 0.000 0.228 503 Y C 0.424 176.489 175.900 0.275 0.000 1.108 503 Y CA 0.436 58.698 58.100 0.270 0.000 1.955 503 Y CB -2.403 36.172 38.460 0.192 0.000 1.615 503 Y HN 0.959 nan 8.280 nan 0.000 0.665 504 A N 1.115 124.137 122.820 0.336 0.000 2.401 504 A HA 0.583 4.917 4.320 0.023 0.000 0.259 504 A C 0.747 178.543 177.584 0.353 0.000 1.103 504 A CA -0.541 51.697 52.037 0.336 0.000 0.789 504 A CB 0.414 19.659 19.000 0.408 0.000 1.035 504 A HN 0.407 nan 8.150 nan 0.000 0.491 505 R N 1.437 122.075 120.500 0.229 0.000 2.637 505 R HA 0.270 4.624 4.340 0.023 0.000 0.269 505 R C 0.995 177.257 176.300 -0.065 0.000 1.089 505 R CA -0.570 55.598 56.100 0.113 0.000 1.177 505 R CB 0.638 30.981 30.300 0.071 0.000 1.091 505 R HN 0.524 nan 8.270 nan 0.000 0.540 506 V N 0.846 120.564 119.914 -0.327 0.000 2.283 506 V HA -0.193 3.941 4.120 0.023 0.000 0.243 506 V C 1.032 177.002 176.094 -0.206 0.000 1.039 506 V CA 1.847 63.910 62.300 -0.396 0.000 1.016 506 V CB -0.239 31.225 31.823 -0.599 0.000 0.650 506 V HN 0.744 nan 8.190 nan 0.000 0.449 507 D N -1.243 119.072 120.400 -0.142 0.000 2.455 507 D HA 0.087 4.741 4.640 0.023 0.000 0.228 507 D C 0.948 177.231 176.300 -0.028 0.000 1.070 507 D CA 0.105 54.059 54.000 -0.077 0.000 0.881 507 D CB 0.653 41.412 40.800 -0.068 0.000 1.087 507 D HN 0.541 nan 8.370 nan 0.000 0.498 508 E N 1.981 122.168 120.200 -0.022 0.000 2.174 508 E HA 0.132 4.496 4.350 0.023 0.000 0.282 508 E C -0.819 175.777 176.600 -0.007 0.000 0.992 508 E CA -0.640 55.756 56.400 -0.007 0.000 0.803 508 E CB 1.127 30.824 29.700 -0.005 0.000 1.090 508 E HN -0.224 nan 8.360 nan 0.000 0.396 509 D N 3.697 124.096 120.400 -0.000 0.000 2.339 509 D HA 0.096 4.749 4.640 0.023 0.000 0.245 509 D C -0.485 175.701 176.300 -0.191 0.000 1.115 509 D CA 0.269 54.252 54.000 -0.028 0.000 0.917 509 D CB 1.114 41.973 40.800 0.098 0.000 1.192 509 D HN 0.463 nan 8.370 nan 0.000 0.428 510 Q N 1.030 120.573 119.800 -0.428 0.000 3.244 510 Q HA 0.218 4.572 4.340 0.023 0.000 0.249 510 Q C -2.220 173.111 176.000 -1.115 0.000 0.951 510 Q CA -1.440 53.897 55.803 -0.777 0.000 0.740 510 Q CB 2.041 30.252 28.738 -0.878 0.000 1.334 510 Q HN 0.157 nan 8.270 nan 0.000 0.448 511 P HA -0.070 nan 4.420 nan 0.000 0.237 511 P C -0.616 176.368 177.300 -0.527 0.000 1.701 511 P CA 0.112 62.773 63.100 -0.732 0.000 0.955 511 P CB -0.762 30.759 31.700 -0.299 0.000 1.937 512 F N 2.194 121.950 119.950 -0.322 0.000 2.602 512 F HA 0.071 4.612 4.527 0.022 0.000 0.367 512 F C -1.024 174.665 175.800 -0.185 0.000 1.126 512 F CA -2.171 55.709 58.000 -0.201 0.000 1.321 512 F CB -0.614 38.289 39.000 -0.163 0.000 1.094 512 F HN 0.077 nan 8.300 nan 0.000 0.594 513 P HA 0.092 nan 4.420 nan 0.000 0.268 513 P C 0.337 177.655 177.300 0.031 0.000 1.204 513 P CA 0.882 64.002 63.100 0.033 0.000 0.768 513 P CB 1.282 33.001 31.700 0.031 0.000 0.842 514 A N 2.973 125.804 122.820 0.019 0.000 2.617 514 A HA -0.244 4.089 4.320 0.023 0.000 0.236 514 A C 0.662 178.257 177.584 0.018 0.000 0.551 514 A CA 2.034 54.085 52.037 0.023 0.000 1.144 514 A CB -2.657 16.356 19.000 0.022 0.000 1.384 514 A HN 0.678 nan 8.150 nan 0.000 0.694 515 V N -3.356 116.567 119.914 0.015 0.000 2.464 515 V HA 0.561 4.695 4.120 0.023 0.000 0.255 515 V C -2.654 173.439 176.094 -0.002 0.000 0.946 515 V CA -1.238 61.071 62.300 0.015 0.000 0.988 515 V CB 0.799 32.640 31.823 0.030 0.000 1.210 515 V HN 0.429 nan 8.190 nan 0.000 0.523 516 P HA 0.300 nan 4.420 nan 0.000 0.272 516 P C -0.589 176.256 177.300 -0.758 0.000 1.230 516 P CA 0.054 62.747 63.100 -0.677 0.000 0.788 516 P CB 1.011 31.789 31.700 -1.536 0.000 0.949 517 K N 2.002 121.964 120.400 -0.729 0.000 2.354 517 K HA 0.208 4.542 4.320 0.023 0.000 0.257 517 K C -0.483 175.736 176.600 -0.634 0.000 1.062 517 K CA -0.252 55.806 56.287 -0.381 0.000 0.971 517 K CB 0.349 32.877 32.500 0.046 0.000 1.305 517 K HN 0.463 nan 8.250 nan 0.000 0.449 518 W N 1.132 122.105 121.300 -0.545 0.000 2.129 518 W HA 0.099 4.773 4.660 0.023 0.000 0.349 518 W C 1.291 177.813 176.519 0.004 0.000 1.279 518 W CA -0.478 56.658 57.345 -0.348 0.000 1.306 518 W CB 0.476 29.592 29.460 -0.573 0.000 1.140 518 W HN 0.350 nan 8.180 nan 0.000 0.613 519 S N 2.657 118.510 115.700 0.256 0.000 2.558 519 S HA -0.075 4.408 4.470 0.023 0.000 0.293 519 S C 1.251 176.001 174.600 0.250 0.000 1.292 519 S CA -0.183 58.115 58.200 0.163 0.000 1.063 519 S CB 0.105 63.363 63.200 0.096 0.000 0.831 519 S HN 0.502 nan 8.310 nan 0.000 0.499 520 I N 2.431 123.105 120.570 0.173 0.000 2.286 520 I HA -0.128 4.056 4.170 0.023 0.000 0.248 520 I C 2.082 178.238 176.117 0.065 0.000 1.115 520 I CA 1.246 62.655 61.300 0.182 0.000 1.392 520 I CB -0.424 37.621 38.000 0.075 0.000 1.065 520 I HN 0.593 nan 8.210 nan 0.000 0.418 521 K N 1.603 121.939 120.400 -0.106 0.000 2.057 521 K HA -0.195 4.139 4.320 0.023 0.000 0.207 521 K C 2.315 178.927 176.600 0.020 0.000 1.049 521 K CA 2.060 58.198 56.287 -0.248 0.000 0.931 521 K CB -0.174 32.106 32.500 -0.366 0.000 0.714 521 K HN 0.403 nan 8.250 nan 0.000 0.440 522 K N -0.117 120.317 120.400 0.057 0.000 2.103 522 K HA -0.163 4.171 4.320 0.023 0.000 0.204 522 K C 1.917 178.575 176.600 0.098 0.000 1.052 522 K CA 0.815 57.133 56.287 0.051 0.000 0.945 522 K CB -0.105 32.395 32.500 -0.001 0.000 0.722 522 K HN 0.204 nan 8.250 nan 0.000 0.443 523 W N 2.136 123.447 121.300 0.018 0.000 2.350 523 W HA -0.151 4.521 4.660 0.020 0.000 0.289 523 W C 1.457 177.970 176.519 -0.009 0.000 1.215 523 W CA 1.045 58.407 57.345 0.028 0.000 1.236 523 W CB -0.417 29.134 29.460 0.153 0.000 1.130 523 W HN 0.105 nan 8.180 nan 0.000 0.541 524 L N 0.779 122.169 121.223 0.277 0.000 2.079 524 L HA -0.231 4.123 4.340 0.023 0.000 0.210 524 L C 2.245 179.189 176.870 0.123 0.000 1.081 524 L CA 1.964 56.902 54.840 0.163 0.000 0.752 524 L CB -0.990 41.154 42.059 0.141 0.000 0.896 524 L HN -0.028 nan 8.230 nan 0.000 0.433 525 S N -1.363 114.395 115.700 0.097 0.000 2.572 525 S HA 0.259 4.743 4.470 0.023 0.000 0.228 525 S C 0.549 175.143 174.600 -0.011 0.000 0.963 525 S CA -0.548 57.678 58.200 0.042 0.000 0.939 525 S CB -0.434 62.789 63.200 0.039 0.000 0.804 525 S HN 0.144 nan 8.310 nan 0.000 0.480 526 L N 2.217 123.426 121.223 -0.023 0.000 2.506 526 L HA 0.208 4.561 4.340 0.023 0.000 0.281 526 L C -2.175 174.662 176.870 -0.056 0.000 1.228 526 L CA -1.618 53.156 54.840 -0.110 0.000 0.850 526 L CB -0.315 41.653 42.059 -0.152 0.000 1.110 526 L HN 0.058 nan 8.230 nan 0.000 0.496 527 P HA -0.011 nan 4.420 nan 0.000 0.261 527 P C 0.771 178.061 177.300 -0.018 0.000 1.183 527 P CA 0.965 64.038 63.100 -0.045 0.000 0.761 527 P CB 0.548 32.215 31.700 -0.055 0.000 0.785 528 G N 1.844 110.642 108.800 -0.005 0.000 2.225 528 G HA2 -0.268 3.705 3.960 0.023 0.000 0.254 528 G HA3 -0.268 3.705 3.960 0.023 0.000 0.254 528 G C 0.277 175.191 174.900 0.024 0.000 0.988 528 G CA -0.004 45.101 45.100 0.009 0.000 0.625 528 G HN 0.612 nan 8.290 nan 0.000 0.527 529 E N 1.390 121.611 120.200 0.036 0.000 2.324 529 E HA 0.551 4.915 4.350 0.023 0.000 0.271 529 E C 1.380 178.006 176.600 0.043 0.000 1.028 529 E CA 0.743 57.178 56.400 0.059 0.000 0.890 529 E CB 0.719 30.484 29.700 0.108 0.000 1.004 529 E HN 0.558 nan 8.360 nan 0.000 0.431 530 T N 0.713 115.288 114.554 0.035 0.000 3.087 530 T HA 0.332 4.696 4.350 0.023 0.000 0.283 530 T C 0.613 175.323 174.700 0.017 0.000 0.956 530 T CA -0.454 61.661 62.100 0.026 0.000 0.894 530 T CB 0.155 69.036 68.868 0.023 0.000 1.160 530 T HN 0.213 nan 8.240 nan 0.000 0.532 531 R N 2.170 122.677 120.500 0.011 0.000 2.649 531 R HA 0.461 4.815 4.340 0.023 0.000 0.270 531 R C -2.601 173.682 176.300 -0.028 0.000 1.105 531 R CA -1.946 54.150 56.100 -0.006 0.000 1.193 531 R CB -0.125 30.165 30.300 -0.017 0.000 1.120 531 R HN 0.185 nan 8.270 nan 0.000 0.561 532 P HA 0.060 nan 4.420 nan 0.000 0.275 532 P C -1.059 176.173 177.300 -0.112 0.000 1.228 532 P CA 0.029 63.091 63.100 -0.064 0.000 0.786 532 P CB 0.614 32.279 31.700 -0.059 0.000 0.927 533 L N 3.929 125.065 121.223 -0.145 0.000 2.325 533 L HA 0.576 4.929 4.340 0.023 0.000 0.281 533 L C -0.931 175.802 176.870 -0.228 0.000 1.004 533 L CA -0.658 54.056 54.840 -0.211 0.000 0.823 533 L CB 0.670 42.598 42.059 -0.218 0.000 1.236 533 L HN 0.242 nan 8.230 nan 0.000 0.415 534 I N 5.547 125.989 120.570 -0.214 0.000 2.468 534 I HA 0.263 4.447 4.170 0.023 0.000 0.285 534 I C -0.700 175.326 176.117 -0.152 0.000 1.039 534 I CA -0.521 60.632 61.300 -0.246 0.000 1.074 534 I CB 1.920 39.838 38.000 -0.137 0.000 1.228 534 I HN 0.476 nan 8.210 nan 0.000 0.436 535 L N 5.621 126.722 121.223 -0.204 0.000 2.490 535 L HA -0.019 4.334 4.340 0.023 0.000 0.274 535 L C 1.497 178.445 176.870 0.131 0.000 1.201 535 L CA -0.002 54.791 54.840 -0.078 0.000 0.869 535 L CB 0.438 42.428 42.059 -0.116 0.000 1.123 535 L HN 0.861 nan 8.230 nan 0.000 0.484 536 C N -0.065 119.290 119.300 0.092 0.000 2.468 536 C HA 0.195 4.669 4.460 0.023 0.000 0.277 536 C C 0.584 175.724 174.990 0.251 0.000 1.400 536 C CA -0.225 58.887 59.018 0.157 0.000 1.770 536 C CB -1.152 26.594 27.740 0.009 0.000 1.905 536 C HN 0.843 nan 8.230 nan 0.000 0.519 537 E N -0.929 119.360 120.200 0.150 0.000 2.347 537 E HA 0.608 4.971 4.350 0.023 0.000 0.285 537 E C -1.285 175.290 176.600 -0.043 0.000 0.925 537 E CA -0.405 56.076 56.400 0.136 0.000 0.779 537 E CB 1.879 31.526 29.700 -0.088 0.000 1.233 537 E HN 0.649 nan 8.360 nan 0.000 0.414 538 Y N -0.901 119.392 120.300 -0.011 0.000 2.713 538 Y HA 0.627 5.191 4.550 0.024 0.000 0.335 538 Y C -0.782 175.293 175.900 0.292 0.000 1.222 538 Y CA -0.850 57.257 58.100 0.011 0.000 1.061 538 Y CB 0.845 39.162 38.460 -0.239 0.000 1.314 538 Y HN 0.703 nan 8.280 nan 0.000 0.453 539 A N 1.974 124.867 122.820 0.122 0.000 2.303 539 A HA -0.264 4.070 4.320 0.023 0.000 0.286 539 A C -0.359 177.334 177.584 0.181 0.000 1.429 539 A CA 1.094 53.179 52.037 0.080 0.000 0.738 539 A CB -2.473 16.459 19.000 -0.114 0.000 1.149 539 A HN 1.125 nan 8.150 nan 0.000 0.364 540 H N 0.694 119.907 119.070 0.237 0.000 3.138 540 H HA 0.280 4.849 4.556 0.023 0.000 0.275 540 H C 1.021 176.390 175.328 0.068 0.000 0.997 540 H CA 0.896 57.090 56.048 0.243 0.000 1.460 540 H CB 0.518 30.299 29.762 0.032 0.000 1.524 540 H HN 0.805 nan 8.280 nan 0.000 0.532 541 A N 6.700 129.394 122.820 -0.210 0.000 2.929 541 A HA 0.085 4.419 4.320 0.023 0.000 0.279 541 A C 0.851 178.248 177.584 -0.312 0.000 1.418 541 A CA -0.482 51.402 52.037 -0.255 0.000 1.035 541 A CB -0.632 18.189 19.000 -0.299 0.000 1.047 541 A HN 0.814 nan 8.150 nan 0.000 0.609 542 M N 1.449 120.863 119.600 -0.309 0.000 2.194 542 M HA 0.452 4.945 4.480 0.023 0.000 0.347 542 M C 0.950 177.092 176.300 -0.264 0.000 1.439 542 M CA 1.357 56.488 55.300 -0.281 0.000 1.131 542 M CB -0.205 32.268 32.600 -0.212 0.000 1.733 542 M HN 0.865 nan 8.290 nan 0.000 0.467 543 G N 4.234 112.886 108.800 -0.247 0.000 2.547 543 G HA2 -0.342 3.631 3.960 0.023 0.000 0.271 543 G HA3 -0.342 3.631 3.960 0.023 0.000 0.271 543 G C -0.331 174.141 174.900 -0.713 0.000 1.209 543 G CA 0.085 44.883 45.100 -0.502 0.000 0.959 543 G HN 0.880 nan 8.290 nan 0.000 0.563 544 N N 1.098 119.186 118.700 -1.020 0.000 2.508 544 N HA 0.521 5.275 4.740 0.023 0.000 0.253 544 N C -0.001 175.274 175.510 -0.392 0.000 1.145 544 N CA 1.018 53.642 53.050 -0.711 0.000 0.973 544 N CB 0.524 38.559 38.487 -0.753 0.000 1.305 544 N HN 0.823 nan 8.380 nan 0.000 0.506 545 S N 2.076 117.628 115.700 -0.247 0.000 2.911 545 S HA 0.631 5.115 4.470 0.023 0.000 0.319 545 S C -0.143 174.391 174.600 -0.111 0.000 1.154 545 S CA -0.374 57.725 58.200 -0.168 0.000 0.857 545 S CB 0.215 63.323 63.200 -0.153 0.000 1.279 545 S HN 0.366 nan 8.310 nan 0.000 0.593 546 L N 0.110 121.294 121.223 -0.065 0.000 4.639 546 L HA -0.059 4.294 4.340 0.023 0.000 0.402 546 L C 0.557 177.463 176.870 0.060 0.000 1.069 546 L CA 0.906 55.732 54.840 -0.023 0.000 1.105 546 L CB -1.825 40.139 42.059 -0.158 0.000 2.122 546 L HN 0.736 nan 8.230 nan 0.000 0.662 547 G N -0.642 108.165 108.800 0.010 0.000 2.313 547 G HA2 0.468 4.441 3.960 0.023 0.000 0.250 547 G HA3 0.468 4.441 3.960 0.023 0.000 0.250 547 G C 1.239 176.183 174.900 0.073 0.000 1.281 547 G CA 0.251 45.338 45.100 -0.022 0.000 0.917 547 G HN 1.426 nan 8.290 nan 0.000 0.501 548 G N 1.849 110.691 108.800 0.070 0.000 2.157 548 G HA2 -0.310 3.664 3.960 0.023 0.000 0.248 548 G HA3 -0.310 3.664 3.960 0.023 0.000 0.248 548 G C 0.981 176.077 174.900 0.328 0.000 0.979 548 G CA 0.697 45.900 45.100 0.171 0.000 0.650 548 G HN 0.795 nan 8.290 nan 0.000 0.529 549 F N 1.777 121.851 119.950 0.207 0.000 2.161 549 F HA 0.087 4.628 4.527 0.023 0.000 0.300 549 F C 2.624 178.656 175.800 0.386 0.000 1.089 549 F CA 2.464 60.658 58.000 0.323 0.000 1.282 549 F CB -0.438 38.691 39.000 0.215 0.000 1.010 549 F HN 0.364 nan 8.300 nan 0.000 0.485 550 A N -0.407 122.571 122.820 0.264 0.000 2.019 550 A HA -0.217 4.117 4.320 0.023 0.000 0.219 550 A C 2.305 179.905 177.584 0.026 0.000 1.164 550 A CA 1.658 53.783 52.037 0.148 0.000 0.644 550 A CB -0.763 18.331 19.000 0.158 0.000 0.805 550 A HN 0.444 nan 8.150 nan 0.000 0.449 551 K N -1.550 118.859 120.400 0.014 0.000 2.057 551 K HA -0.176 4.157 4.320 0.023 0.000 0.207 551 K C 1.717 178.085 176.600 -0.388 0.000 1.049 551 K CA 1.618 57.824 56.287 -0.135 0.000 0.931 551 K CB -0.323 32.111 32.500 -0.111 0.000 0.714 551 K HN 0.550 nan 8.250 nan 0.000 0.440 552 Y N -0.665 119.358 120.300 -0.461 0.000 2.145 552 Y HA -0.244 4.319 4.550 0.022 0.000 0.286 552 Y C 2.008 176.873 175.900 -1.725 0.000 1.145 552 Y CA 1.661 59.103 58.100 -1.097 0.000 1.148 552 Y CB -0.352 37.518 38.460 -0.983 0.000 0.981 552 Y HN 0.186 nan 8.280 nan 0.000 0.507 553 W N -0.129 120.740 121.300 -0.718 0.000 2.358 553 W HA -0.217 4.457 4.660 0.024 0.000 0.303 553 W C 2.637 178.961 176.519 -0.325 0.000 1.208 553 W CA 1.530 58.585 57.345 -0.484 0.000 1.274 553 W CB -0.710 28.543 29.460 -0.344 0.000 1.138 553 W HN 0.020 nan 8.180 nan 0.000 0.515 554 Q N 0.764 120.466 119.800 -0.162 0.000 2.084 554 Q HA -0.164 4.189 4.340 0.023 0.000 0.202 554 Q C 2.195 178.099 176.000 -0.160 0.000 0.978 554 Q CA 2.066 57.804 55.803 -0.107 0.000 0.844 554 Q CB -0.605 28.091 28.738 -0.070 0.000 0.898 554 Q HN 0.282 nan 8.270 nan 0.000 0.426 555 A N -0.314 122.307 122.820 -0.331 0.000 1.968 555 A HA -0.066 4.267 4.320 0.023 0.000 0.217 555 A C 2.002 179.514 177.584 -0.121 0.000 1.169 555 A CA 0.729 52.606 52.037 -0.267 0.000 0.638 555 A CB -0.902 17.812 19.000 -0.477 0.000 0.812 555 A HN 0.455 nan 8.150 nan 0.000 0.446 556 F N -0.408 119.355 119.950 -0.310 0.000 2.171 556 F HA -0.195 4.346 4.527 0.023 0.000 0.300 556 F C 2.728 178.428 175.800 -0.168 0.000 1.090 556 F CA 1.107 58.902 58.000 -0.341 0.000 1.293 556 F CB -0.125 38.463 39.000 -0.687 0.000 1.013 556 F HN 0.146 nan 8.300 nan 0.000 0.486 557 R N -0.081 120.462 120.500 0.071 0.000 2.119 557 R HA -0.120 4.233 4.340 0.023 0.000 0.222 557 R C 2.118 178.452 176.300 0.057 0.000 1.088 557 R CA 0.801 56.935 56.100 0.056 0.000 0.984 557 R CB -0.306 30.023 30.300 0.048 0.000 0.884 557 R HN 0.338 nan 8.270 nan 0.000 0.447 558 Q N -0.333 119.527 119.800 0.099 0.000 2.137 558 Q HA -0.064 4.289 4.340 0.023 0.000 0.198 558 Q C -0.471 175.594 176.000 0.110 0.000 0.960 558 Q CA 0.990 56.862 55.803 0.115 0.000 0.847 558 Q CB 0.367 29.212 28.738 0.179 0.000 0.915 558 Q HN 0.182 nan 8.270 nan 0.000 0.448 559 Y N 0.179 120.459 120.300 -0.034 0.000 2.353 559 Y HA 0.253 4.816 4.550 0.021 0.000 0.340 559 Y C -1.747 174.128 175.900 -0.041 0.000 0.972 559 Y CA -2.924 55.157 58.100 -0.032 0.000 1.157 559 Y CB 1.363 39.809 38.460 -0.024 0.000 1.157 559 Y HN 0.121 nan 8.280 nan 0.000 0.495 560 P HA -0.173 nan 4.420 nan 0.000 0.215 560 P C 1.090 178.393 177.300 0.004 0.000 1.157 560 P CA 1.804 64.906 63.100 0.004 0.000 0.874 560 P CB 0.321 32.007 31.700 -0.023 0.000 0.790 561 R N -1.175 119.346 120.500 0.035 0.000 2.316 561 R HA 0.094 4.447 4.340 0.023 0.000 0.202 561 R C 0.554 176.839 176.300 -0.026 0.000 1.029 561 R CA 0.145 56.249 56.100 0.007 0.000 1.018 561 R CB -0.496 29.817 30.300 0.021 0.000 0.888 561 R HN 0.238 nan 8.270 nan 0.000 0.471 562 L N 1.900 123.124 121.223 0.001 0.000 2.302 562 L HA 0.141 4.494 4.340 0.023 0.000 0.285 562 L C 0.523 177.259 176.870 -0.223 0.000 1.090 562 L CA 0.081 54.877 54.840 -0.074 0.000 0.866 562 L CB 1.174 43.261 42.059 0.048 0.000 1.244 562 L HN 0.105 nan 8.230 nan 0.000 0.435 563 Q N 2.656 122.253 119.800 -0.339 0.000 2.212 563 Q HA 0.281 4.635 4.340 0.023 0.000 0.213 563 Q C 0.880 176.485 176.000 -0.659 0.000 0.874 563 Q CA 0.164 55.728 55.803 -0.400 0.000 0.965 563 Q CB 0.898 29.491 28.738 -0.242 0.000 1.074 563 Q HN 0.949 nan 8.270 nan 0.000 0.473 564 G N -0.294 107.725 108.800 -1.301 0.000 2.384 564 G HA2 0.121 4.094 3.960 0.023 0.000 0.200 564 G HA3 0.121 4.094 3.960 0.023 0.000 0.200 564 G C -0.310 173.746 174.900 -1.406 0.000 1.205 564 G CA -0.729 43.306 45.100 -1.776 0.000 1.116 564 G HN 0.587 nan 8.290 nan 0.000 0.547 565 G N -2.184 106.117 108.800 -0.832 0.000 2.322 565 G HA2 0.617 4.591 3.960 0.023 0.000 0.295 565 G HA3 0.617 4.591 3.960 0.023 0.000 0.295 565 G C -1.765 173.065 174.900 -0.115 0.000 1.369 565 G CA -0.217 44.608 45.100 -0.460 0.000 0.821 565 G HN 1.185 nan 8.290 nan 0.000 0.536 566 F N 0.876 121.064 119.950 0.396 0.000 2.347 566 F HA 0.511 5.051 4.527 0.021 0.000 0.366 566 F C 0.811 176.913 175.800 0.503 0.000 1.107 566 F CA -0.796 57.464 58.000 0.433 0.000 1.058 566 F CB 1.856 41.009 39.000 0.256 0.000 1.236 566 F HN 0.239 nan 8.300 nan 0.000 0.456 567 V N 3.300 123.512 119.914 0.498 0.000 2.763 567 V HA -0.149 3.985 4.120 0.023 0.000 0.306 567 V C -0.166 176.074 176.094 0.243 0.000 1.059 567 V CA -0.305 62.082 62.300 0.145 0.000 1.138 567 V CB 0.677 32.564 31.823 0.106 0.000 0.940 567 V HN 0.783 nan 8.190 nan 0.000 0.489 568 W N 6.784 128.169 121.300 0.142 0.000 2.282 568 W HA 0.453 5.126 4.660 0.022 0.000 0.322 568 W C -0.848 175.678 176.519 0.011 0.000 1.011 568 W CA -0.628 56.837 57.345 0.199 0.000 1.392 568 W CB 1.197 30.958 29.460 0.501 0.000 1.215 568 W HN 0.937 nan 8.180 nan 0.000 0.394 569 D N 2.195 122.282 120.400 -0.521 0.000 2.825 569 D HA 0.090 4.744 4.640 0.023 0.000 0.327 569 D C 0.713 176.771 176.300 -0.403 0.000 1.277 569 D CA -0.581 52.989 54.000 -0.715 0.000 0.950 569 D CB 0.212 40.030 40.800 -1.637 0.000 1.438 569 D HN 0.358 nan 8.370 nan 0.000 0.526 570 W N 0.371 121.349 121.300 -0.537 0.000 2.381 570 W HA 0.082 4.756 4.660 0.023 0.000 0.321 570 W C 0.031 176.327 176.519 -0.373 0.000 1.196 570 W CA 1.412 58.500 57.345 -0.428 0.000 1.304 570 W CB 0.241 29.478 29.460 -0.371 0.000 1.166 570 W HN 0.180 nan 8.180 nan 0.000 0.473 571 V N 2.495 122.165 119.914 -0.407 0.000 2.656 571 V HA 0.244 4.378 4.120 0.023 0.000 0.307 571 V C -0.783 175.116 176.094 -0.324 0.000 1.051 571 V CA -0.836 61.185 62.300 -0.465 0.000 0.893 571 V CB 1.459 33.126 31.823 -0.259 0.000 0.999 571 V HN -0.075 nan 8.190 nan 0.000 0.426 572 D N 4.165 124.384 120.400 -0.303 0.000 2.533 572 D HA 0.063 4.716 4.640 0.023 0.000 0.236 572 D C 0.287 176.437 176.300 -0.250 0.000 1.137 572 D CA 0.729 54.603 54.000 -0.211 0.000 0.867 572 D CB 0.848 41.617 40.800 -0.052 0.000 1.170 572 D HN 0.649 nan 8.370 nan 0.000 0.474 573 Q N 1.110 120.696 119.800 -0.357 0.000 3.170 573 Q HA 0.128 4.482 4.340 0.023 0.000 0.346 573 Q C -0.061 175.878 176.000 -0.102 0.000 1.333 573 Q CA -0.337 55.020 55.803 -0.744 0.000 0.958 573 Q CB 0.027 28.430 28.738 -0.558 0.000 1.600 573 Q HN 0.328 nan 8.270 nan 0.000 0.482 574 S N -0.084 115.679 115.700 0.105 0.000 2.585 574 S HA 0.589 5.073 4.470 0.023 0.000 0.277 574 S C -0.106 174.646 174.600 0.253 0.000 1.241 574 S CA -0.805 57.558 58.200 0.271 0.000 1.041 574 S CB 1.331 64.676 63.200 0.242 0.000 0.987 574 S HN 0.339 nan 8.310 nan 0.000 0.512 575 L N 2.161 123.447 121.223 0.105 0.000 2.331 575 L HA 0.509 4.863 4.340 0.023 0.000 0.275 575 L C -0.314 176.445 176.870 -0.184 0.000 1.022 575 L CA -1.202 53.580 54.840 -0.098 0.000 0.812 575 L CB 1.178 43.062 42.059 -0.291 0.000 1.257 575 L HN 0.536 nan 8.230 nan 0.000 0.435 576 I N 2.600 123.008 120.570 -0.271 0.000 2.416 576 I HA 0.254 4.438 4.170 0.023 0.000 0.288 576 I C 0.157 175.872 176.117 -0.669 0.000 1.051 576 I CA 0.032 61.045 61.300 -0.478 0.000 1.375 576 I CB 0.927 38.656 38.000 -0.452 0.000 1.407 576 I HN 0.578 nan 8.210 nan 0.000 0.516 577 K N 5.496 125.231 120.400 -1.108 0.000 2.340 577 K HA 0.562 4.895 4.320 0.023 0.000 0.244 577 K C -1.525 174.254 176.600 -1.368 0.000 0.973 577 K CA -0.669 54.853 56.287 -1.274 0.000 0.828 577 K CB 2.357 33.841 32.500 -1.693 0.000 1.226 577 K HN 0.252 nan 8.250 nan 0.000 0.437 578 Y N 0.890 120.951 120.300 -0.400 0.000 2.376 578 Y HA 0.136 4.700 4.550 0.023 0.000 0.340 578 Y C 0.096 176.077 175.900 0.136 0.000 0.965 578 Y CA -1.133 56.913 58.100 -0.091 0.000 1.078 578 Y CB 1.324 39.746 38.460 -0.062 0.000 1.193 578 Y HN 0.672 nan 8.280 nan 0.000 0.452 579 D N 0.544 121.192 120.400 0.414 0.000 2.383 579 D HA 0.003 4.656 4.640 0.023 0.000 0.248 579 D C 0.987 177.402 176.300 0.192 0.000 1.170 579 D CA -0.470 53.727 54.000 0.327 0.000 0.977 579 D CB 0.632 41.575 40.800 0.238 0.000 1.120 579 D HN 0.790 nan 8.370 nan 0.000 0.481 580 E N 0.058 120.331 120.200 0.121 0.000 2.219 580 E HA -0.315 4.049 4.350 0.023 0.000 0.198 580 E C 0.671 177.309 176.600 0.064 0.000 0.998 580 E CA 1.033 57.478 56.400 0.075 0.000 0.818 580 E CB -0.420 29.306 29.700 0.043 0.000 0.741 580 E HN 0.291 nan 8.360 nan 0.000 0.477 581 N N 0.299 119.045 118.700 0.076 0.000 2.461 581 N HA 0.043 4.796 4.740 0.023 0.000 0.188 581 N C 0.910 176.465 175.510 0.075 0.000 1.134 581 N CA 0.971 54.058 53.050 0.062 0.000 0.878 581 N CB 0.880 39.402 38.487 0.059 0.000 0.972 581 N HN 0.492 nan 8.380 nan 0.000 0.456 582 G N 0.193 109.058 108.800 0.109 0.000 2.159 582 G HA2 -0.255 3.718 3.960 0.023 0.000 0.256 582 G HA3 -0.255 3.718 3.960 0.023 0.000 0.256 582 G C -0.095 174.940 174.900 0.225 0.000 0.977 582 G CA -0.287 44.881 45.100 0.113 0.000 0.652 582 G HN 0.318 nan 8.290 nan 0.000 0.531 583 N N 1.554 120.391 118.700 0.227 0.000 2.524 583 N HA 0.502 5.256 4.740 0.023 0.000 0.283 583 N C -2.781 172.893 175.510 0.274 0.000 1.142 583 N CA -1.152 52.042 53.050 0.240 0.000 0.984 583 N CB 1.720 40.304 38.487 0.161 0.000 1.155 583 N HN 0.152 nan 8.380 nan 0.000 0.467 584 P HA 0.332 nan 4.420 nan 0.000 0.282 584 P C -0.560 176.699 177.300 -0.068 0.000 1.249 584 P CA -0.390 62.564 63.100 -0.243 0.000 0.806 584 P CB 0.722 32.246 31.700 -0.293 0.000 0.984 585 W N -0.806 120.265 121.300 -0.382 0.000 3.118 585 W HA 0.487 5.160 4.660 0.023 0.000 0.328 585 W C -1.527 174.807 176.519 -0.307 0.000 1.239 585 W CA -1.078 56.052 57.345 -0.359 0.000 1.176 585 W CB 0.309 29.358 29.460 -0.685 0.000 1.433 585 W HN 0.101 nan 8.180 nan 0.000 0.562 586 S N 1.508 117.257 115.700 0.082 0.000 2.452 586 S HA 0.613 5.097 4.470 0.023 0.000 0.284 586 S C 0.089 174.856 174.600 0.278 0.000 1.171 586 S CA -0.352 57.899 58.200 0.084 0.000 1.064 586 S CB 0.981 64.294 63.200 0.188 0.000 0.967 586 S HN 0.622 nan 8.310 nan 0.000 0.484 587 A N 3.083 125.928 122.820 0.042 0.000 2.325 587 A HA 0.865 5.199 4.320 0.023 0.000 0.333 587 A C -0.668 177.167 177.584 0.418 0.000 1.155 587 A CA -0.721 51.383 52.037 0.111 0.000 0.814 587 A CB 0.561 19.328 19.000 -0.389 0.000 1.206 587 A HN 0.842 nan 8.150 nan 0.000 0.482 588 Y N -0.440 120.185 120.300 0.541 0.000 2.944 588 Y HA 0.766 5.330 4.550 0.023 0.000 0.312 588 Y C 0.704 176.993 175.900 0.648 0.000 1.417 588 Y CA -1.423 57.005 58.100 0.547 0.000 1.105 588 Y CB -0.082 38.521 38.460 0.239 0.000 1.364 588 Y HN 0.923 nan 8.280 nan 0.000 0.540 589 G N 0.069 109.306 108.800 0.728 0.000 2.138 589 G HA2 0.344 4.317 3.960 0.023 0.000 0.244 589 G HA3 0.344 4.317 3.960 0.023 0.000 0.244 589 G C 0.985 176.213 174.900 0.547 0.000 1.166 589 G CA 0.613 46.056 45.100 0.571 0.000 0.902 589 G HN 1.995 nan 8.290 nan 0.000 0.460 590 G N 2.395 111.476 108.800 0.468 0.000 2.268 590 G HA2 -0.289 3.685 3.960 0.023 0.000 0.240 590 G HA3 -0.289 3.685 3.960 0.023 0.000 0.240 590 G C 0.934 176.026 174.900 0.320 0.000 1.010 590 G CA 0.661 45.971 45.100 0.350 0.000 0.618 590 G HN 0.654 nan 8.290 nan 0.000 0.516 591 D N -0.094 120.510 120.400 0.340 0.000 2.392 591 D HA 0.097 4.751 4.640 0.023 0.000 0.228 591 D C 1.282 177.411 176.300 -0.285 0.000 1.003 591 D CA 0.638 54.665 54.000 0.045 0.000 0.917 591 D CB -0.207 40.564 40.800 -0.048 0.000 0.890 591 D HN 0.500 nan 8.370 nan 0.000 0.532 592 F N -1.042 119.025 119.950 0.194 0.000 2.683 592 F HA 0.307 4.848 4.527 0.023 0.000 0.306 592 F C 1.798 177.681 175.800 0.137 0.000 1.102 592 F CA -0.148 57.931 58.000 0.131 0.000 1.244 592 F CB 0.820 39.897 39.000 0.127 0.000 1.029 592 F HN -0.047 nan 8.300 nan 0.000 0.545 593 G N 0.368 109.319 108.800 0.251 0.000 2.176 593 G HA2 -0.273 3.701 3.960 0.023 0.000 0.253 593 G HA3 -0.273 3.701 3.960 0.023 0.000 0.253 593 G C -0.267 174.763 174.900 0.218 0.000 0.979 593 G CA 0.106 45.323 45.100 0.195 0.000 0.641 593 G HN 0.374 nan 8.290 nan 0.000 0.530 594 D N 0.760 121.336 120.400 0.293 0.000 2.401 594 D HA 0.483 5.136 4.640 0.023 0.000 0.254 594 D C 0.237 176.646 176.300 0.183 0.000 1.192 594 D CA 1.018 55.175 54.000 0.261 0.000 0.885 594 D CB 1.426 42.432 40.800 0.343 0.000 1.147 594 D HN 0.476 nan 8.370 nan 0.000 0.478 595 T N 1.019 115.651 114.554 0.130 0.000 3.012 595 T HA 0.451 4.815 4.350 0.023 0.000 0.330 595 T C -2.805 171.924 174.700 0.048 0.000 1.321 595 T CA -1.151 60.996 62.100 0.079 0.000 1.067 595 T CB 1.479 70.392 68.868 0.076 0.000 1.235 595 T HN 0.356 nan 8.240 nan 0.000 0.479 596 P HA 0.525 nan 4.420 nan 0.000 0.276 596 P C -1.108 176.167 177.300 -0.041 0.000 1.252 596 P CA -0.465 62.627 63.100 -0.013 0.000 0.802 596 P CB 0.681 32.352 31.700 -0.048 0.000 1.035 597 N N -1.782 116.889 118.700 -0.049 0.000 2.647 597 N HA 0.246 5.000 4.740 0.023 0.000 0.266 597 N C -0.885 174.546 175.510 -0.131 0.000 1.373 597 N CA -0.751 52.237 53.050 -0.104 0.000 0.807 597 N CB 0.842 39.368 38.487 0.065 0.000 1.513 597 N HN 0.105 nan 8.380 nan 0.000 0.505 598 D N -0.270 119.988 120.400 -0.237 0.000 2.643 598 D HA 0.133 4.787 4.640 0.023 0.000 0.244 598 D C 0.446 176.933 176.300 0.312 0.000 1.257 598 D CA -0.139 53.809 54.000 -0.087 0.000 0.831 598 D CB 0.110 40.705 40.800 -0.343 0.000 1.043 598 D HN 0.707 nan 8.370 nan 0.000 0.488 599 R N 0.846 121.550 120.500 0.341 0.000 3.682 599 R HA -0.340 4.013 4.340 0.023 0.000 0.519 599 R C 1.290 177.684 176.300 0.156 0.000 0.241 599 R CA 1.596 57.930 56.100 0.390 0.000 1.619 599 R CB -1.679 28.772 30.300 0.253 0.000 0.923 599 R HN 0.177 nan 8.270 nan 0.000 0.598 600 Q N 1.541 121.087 119.800 -0.422 0.000 2.500 600 Q HA -0.065 4.289 4.340 0.023 0.000 0.213 600 Q C 1.799 177.565 176.000 -0.390 0.000 0.974 600 Q CA 1.699 57.060 55.803 -0.736 0.000 0.918 600 Q CB -0.110 27.977 28.738 -1.085 0.000 0.980 600 Q HN 0.606 nan 8.270 nan 0.000 0.505 601 F N 1.677 121.556 119.950 -0.117 0.000 2.449 601 F HA -0.156 4.384 4.527 0.023 0.000 0.299 601 F C 2.340 178.097 175.800 -0.073 0.000 1.092 601 F CA 1.245 59.251 58.000 0.010 0.000 1.446 601 F CB -0.383 38.673 39.000 0.094 0.000 1.084 601 F HN 0.431 nan 8.300 nan 0.000 0.567 602 C N -1.631 117.419 119.300 -0.417 0.000 2.562 602 C HA 0.246 4.720 4.460 0.023 0.000 0.266 602 C C 1.070 175.886 174.990 -0.290 0.000 1.382 602 C CA -0.510 58.116 59.018 -0.654 0.000 1.742 602 C CB -1.585 25.264 27.740 -1.486 0.000 1.812 602 C HN 0.195 nan 8.230 nan 0.000 0.559 603 M N 2.676 122.140 119.600 -0.228 0.000 2.208 603 M HA 0.279 4.772 4.480 0.023 0.000 0.352 603 M C -0.331 175.850 176.300 -0.198 0.000 1.137 603 M CA 0.329 55.523 55.300 -0.177 0.000 1.091 603 M CB -0.155 32.371 32.600 -0.122 0.000 1.309 603 M HN 0.379 nan 8.290 nan 0.000 0.408 604 N N 0.581 119.156 118.700 -0.209 0.000 2.184 604 N HA 0.182 4.936 4.740 0.023 0.000 0.234 604 N C 0.478 175.742 175.510 -0.410 0.000 1.282 604 N CA -0.537 52.339 53.050 -0.289 0.000 0.877 604 N CB 1.215 39.639 38.487 -0.106 0.000 1.184 604 N HN 0.626 nan 8.380 nan 0.000 0.510 605 G N 0.059 108.570 108.800 -0.483 0.000 2.504 605 G HA2 0.353 4.327 3.960 0.023 0.000 0.288 605 G HA3 0.353 4.327 3.960 0.023 0.000 0.288 605 G C 0.706 175.050 174.900 -0.928 0.000 1.182 605 G CA -0.534 44.184 45.100 -0.636 0.000 0.894 605 G HN 0.070 nan 8.290 nan 0.000 0.521 606 L N -0.223 120.515 121.223 -0.808 0.000 2.313 606 L HA 0.106 4.460 4.340 0.023 0.000 0.214 606 L C 1.040 177.372 176.870 -0.897 0.000 1.119 606 L CA 0.440 54.829 54.840 -0.751 0.000 0.809 606 L CB -0.300 41.450 42.059 -0.516 0.000 0.933 606 L HN 0.387 nan 8.230 nan 0.000 0.449 607 V N -4.544 114.764 119.914 -1.009 0.000 2.864 607 V HA 0.469 4.603 4.120 0.023 0.000 0.314 607 V C -0.147 175.705 176.094 -0.403 0.000 1.073 607 V CA -1.252 60.667 62.300 -0.634 0.000 0.956 607 V CB 1.589 32.973 31.823 -0.731 0.000 1.023 607 V HN -0.130 nan 8.190 nan 0.000 0.435 608 F N 2.004 121.970 119.950 0.027 0.000 2.480 608 F HA 0.533 5.074 4.527 0.023 0.000 0.319 608 F C 1.981 177.734 175.800 -0.079 0.000 1.230 608 F CA 0.656 58.688 58.000 0.053 0.000 1.285 608 F CB 0.658 39.657 39.000 -0.002 0.000 1.208 608 F HN 0.786 nan 8.300 nan 0.000 0.579 609 A N 0.736 123.656 122.820 0.166 0.000 1.986 609 A HA -0.238 4.096 4.320 0.023 0.000 0.220 609 A C 1.714 179.291 177.584 -0.012 0.000 1.171 609 A CA 2.003 54.087 52.037 0.079 0.000 0.640 609 A CB -0.965 18.102 19.000 0.110 0.000 0.811 609 A HN 0.802 nan 8.150 nan 0.000 0.451 610 D N -3.093 117.317 120.400 0.017 0.000 2.328 610 D HA 0.121 4.774 4.640 0.023 0.000 0.226 610 D C 0.753 177.049 176.300 -0.007 0.000 1.066 610 D CA 0.198 54.174 54.000 -0.040 0.000 0.861 610 D CB 0.014 40.782 40.800 -0.053 0.000 0.912 610 D HN 0.249 nan 8.370 nan 0.000 0.521 611 R N -2.015 118.489 120.500 0.007 0.000 3.224 611 R HA -0.113 4.241 4.340 0.023 0.000 0.473 611 R C -0.010 176.305 176.300 0.026 0.000 0.599 611 R CA 1.192 57.295 56.100 0.004 0.000 1.436 611 R CB -2.983 27.351 30.300 0.057 0.000 2.091 611 R HN 0.232 nan 8.270 nan 0.000 0.386 612 T N 3.566 118.167 114.554 0.079 0.000 2.916 612 T HA 0.343 4.707 4.350 0.023 0.000 0.303 612 T C -2.342 172.482 174.700 0.207 0.000 1.025 612 T CA -0.531 61.637 62.100 0.114 0.000 1.142 612 T CB 0.990 69.900 68.868 0.070 0.000 0.947 612 T HN -0.060 nan 8.240 nan 0.000 0.544 613 P HA 0.240 nan 4.420 nan 0.000 0.281 613 P C -0.097 177.280 177.300 0.128 0.000 1.249 613 P CA -0.466 62.667 63.100 0.055 0.000 0.810 613 P CB 0.572 32.283 31.700 0.019 0.000 1.008 614 H N 1.647 120.569 119.070 -0.246 0.000 2.508 614 H HA 0.123 4.693 4.556 0.023 0.000 0.358 614 H C -1.339 173.892 175.328 -0.161 0.000 1.212 614 H CA -1.812 54.051 56.048 -0.309 0.000 1.356 614 H CB 0.433 29.959 29.762 -0.393 0.000 1.525 614 H HN 0.292 nan 8.280 nan 0.000 0.578 615 P HA -0.164 nan 4.420 nan 0.000 0.218 615 P C 1.209 178.510 177.300 0.002 0.000 1.148 615 P CA 1.495 64.585 63.100 -0.016 0.000 0.822 615 P CB -0.003 31.691 31.700 -0.010 0.000 0.784 616 A N -0.536 122.286 122.820 0.004 0.000 2.024 616 A HA -0.201 4.133 4.320 0.023 0.000 0.220 616 A C 2.091 179.620 177.584 -0.091 0.000 1.164 616 A CA 1.382 53.382 52.037 -0.063 0.000 0.643 616 A CB -1.623 17.307 19.000 -0.117 0.000 0.806 616 A HN 0.175 nan 8.150 nan 0.000 0.451 617 L N -0.604 120.583 121.223 -0.059 0.000 2.079 617 L HA -0.125 4.229 4.340 0.023 0.000 0.210 617 L C 2.536 179.447 176.870 0.069 0.000 1.081 617 L CA 2.707 57.545 54.840 -0.004 0.000 0.752 617 L CB -0.903 41.156 42.059 0.001 0.000 0.896 617 L HN 0.389 nan 8.230 nan 0.000 0.433 618 T N -1.780 112.820 114.554 0.076 0.000 2.951 618 T HA -0.177 4.187 4.350 0.023 0.000 0.268 618 T C 1.792 176.604 174.700 0.186 0.000 1.073 618 T CA 1.296 63.496 62.100 0.167 0.000 1.134 618 T CB -0.126 68.823 68.868 0.134 0.000 0.884 618 T HN 0.474 nan 8.240 nan 0.000 0.479 619 E N 0.829 121.079 120.200 0.084 0.000 2.110 619 E HA 0.044 4.408 4.350 0.023 0.000 0.193 619 E C 2.139 178.776 176.600 0.061 0.000 0.988 619 E CA 1.331 57.792 56.400 0.103 0.000 0.804 619 E CB -0.588 29.136 29.700 0.041 0.000 0.745 619 E HN 0.552 nan 8.360 nan 0.000 0.458 620 A N 0.985 123.733 122.820 -0.121 0.000 1.877 620 A HA -0.227 4.106 4.320 0.023 0.000 0.216 620 A C 2.175 179.677 177.584 -0.138 0.000 1.186 620 A CA 1.924 53.837 52.037 -0.207 0.000 0.620 620 A CB -0.645 18.223 19.000 -0.222 0.000 0.822 620 A HN 0.270 nan 8.150 nan 0.000 0.443 621 K N -1.269 119.121 120.400 -0.016 0.000 2.032 621 K HA -0.297 4.037 4.320 0.023 0.000 0.209 621 K C 2.087 178.620 176.600 -0.112 0.000 1.048 621 K CA 2.065 58.354 56.287 0.002 0.000 0.927 621 K CB -0.358 32.303 32.500 0.267 0.000 0.712 621 K HN 0.638 nan 8.250 nan 0.000 0.441 622 H N 0.317 119.243 119.070 -0.241 0.000 2.353 622 H HA -0.032 4.538 4.556 0.023 0.000 0.300 622 H C 1.863 176.928 175.328 -0.437 0.000 1.090 622 H CA 1.772 57.457 56.048 -0.605 0.000 1.327 622 H CB 0.127 29.603 29.762 -0.476 0.000 1.383 622 H HN 0.256 nan 8.280 nan 0.000 0.508 623 Q N 0.081 119.654 119.800 -0.378 0.000 2.311 623 Q HA -0.040 4.313 4.340 0.023 0.000 0.203 623 Q C 1.251 176.717 176.000 -0.890 0.000 0.954 623 Q CA 0.927 56.404 55.803 -0.542 0.000 0.885 623 Q CB 0.203 28.746 28.738 -0.326 0.000 0.963 623 Q HN 0.705 nan 8.270 nan 0.000 0.471 624 Q N 0.189 119.440 119.800 -0.916 0.000 2.247 624 Q HA 0.108 4.462 4.340 0.023 0.000 0.205 624 Q C -0.165 175.279 176.000 -0.926 0.000 0.896 624 Q CA -0.215 54.885 55.803 -1.172 0.000 0.950 624 Q CB 0.386 28.445 28.738 -1.132 0.000 1.054 624 Q HN 0.324 nan 8.270 nan 0.000 0.482 625 Q N -0.476 118.946 119.800 -0.629 0.000 2.428 625 Q HA -0.023 4.331 4.340 0.023 0.000 0.276 625 Q C -0.244 175.445 176.000 -0.518 0.000 1.059 625 Q CA 0.505 56.087 55.803 -0.368 0.000 0.923 625 Q CB 0.473 29.066 28.738 -0.241 0.000 1.283 625 Q HN 0.316 nan 8.270 nan 0.000 0.447 626 F N 0.469 120.219 119.950 -0.334 0.000 2.653 626 F HA 0.280 4.820 4.527 0.022 0.000 0.304 626 F C -0.393 174.881 175.800 -0.877 0.000 1.092 626 F CA -0.098 57.471 58.000 -0.719 0.000 1.279 626 F CB 0.572 38.818 39.000 -1.258 0.000 1.044 626 F HN 0.285 nan 8.300 nan 0.000 0.564 627 F N 0.426 120.302 119.950 -0.124 0.000 2.529 627 F HA 0.505 5.046 4.527 0.024 0.000 0.320 627 F C -0.096 175.383 175.800 -0.535 0.000 1.118 627 F CA -1.018 56.816 58.000 -0.277 0.000 0.915 627 F CB 1.418 40.294 39.000 -0.206 0.000 1.161 627 F HN -0.317 nan 8.300 nan 0.000 0.445 628 Q N 3.100 122.657 119.800 -0.405 0.000 2.306 628 Q HA 0.609 4.963 4.340 0.023 0.000 0.265 628 Q C -1.302 174.379 176.000 -0.532 0.000 1.022 628 Q CA -0.642 54.940 55.803 -0.370 0.000 0.853 628 Q CB 2.830 31.481 28.738 -0.144 0.000 1.327 628 Q HN 0.544 nan 8.270 nan 0.000 0.449 629 F N -0.010 120.068 119.950 0.214 0.000 2.603 629 F HA 0.638 5.179 4.527 0.024 0.000 0.317 629 F C 0.161 176.194 175.800 0.388 0.000 1.066 629 F CA -0.890 57.308 58.000 0.330 0.000 0.941 629 F CB 2.051 41.392 39.000 0.569 0.000 1.291 629 F HN 0.173 nan 8.300 nan 0.000 0.472 630 R N 1.170 121.985 120.500 0.525 0.000 2.698 630 R HA 0.699 5.053 4.340 0.023 0.000 0.275 630 R C -2.103 174.235 176.300 0.064 0.000 1.001 630 R CA -1.107 55.208 56.100 0.358 0.000 0.896 630 R CB 2.932 33.344 30.300 0.186 0.000 1.218 630 R HN 0.550 nan 8.270 nan 0.000 0.462 631 L N 0.725 121.871 121.223 -0.129 0.000 2.346 631 L HA 0.637 4.990 4.340 0.023 0.000 0.276 631 L C -1.052 175.667 176.870 -0.252 0.000 1.006 631 L CA 0.018 54.568 54.840 -0.484 0.000 0.817 631 L CB 2.167 43.500 42.059 -1.210 0.000 1.272 631 L HN 0.589 nan 8.230 nan 0.000 0.421 632 S N 3.624 119.189 115.700 -0.225 0.000 2.750 632 S HA 0.677 5.161 4.470 0.023 0.000 0.276 632 S C 0.223 174.731 174.600 -0.154 0.000 1.165 632 S CA 0.220 58.333 58.200 -0.145 0.000 1.047 632 S CB 0.391 63.541 63.200 -0.083 0.000 1.056 632 S HN 1.589 nan 8.310 nan 0.000 0.481 633 G N 4.541 113.252 108.800 -0.148 0.000 2.602 633 G HA2 -0.347 3.627 3.960 0.023 0.000 0.310 633 G HA3 -0.347 3.627 3.960 0.023 0.000 0.310 633 G C 0.439 175.231 174.900 -0.180 0.000 1.183 633 G CA 0.939 45.956 45.100 -0.138 0.000 0.979 633 G HN 0.777 nan 8.290 nan 0.000 0.545 634 Q N 0.939 120.639 119.800 -0.167 0.000 2.220 634 Q HA 0.395 4.749 4.340 0.023 0.000 0.205 634 Q C 0.161 176.025 176.000 -0.226 0.000 0.865 634 Q CA 0.630 56.307 55.803 -0.210 0.000 0.960 634 Q CB 0.411 29.044 28.738 -0.175 0.000 1.097 634 Q HN 0.549 nan 8.270 nan 0.000 0.493 635 T N 0.390 114.824 114.554 -0.199 0.000 2.767 635 T HA 0.491 4.855 4.350 0.023 0.000 0.284 635 T C -0.334 174.239 174.700 -0.211 0.000 0.973 635 T CA -0.328 61.668 62.100 -0.172 0.000 0.996 635 T CB 0.981 69.782 68.868 -0.111 0.000 0.927 635 T HN 0.075 nan 8.240 nan 0.000 0.456 636 I N 2.845 123.308 120.570 -0.178 0.000 2.354 636 I HA 0.262 4.446 4.170 0.023 0.000 0.286 636 I C 0.407 176.525 176.117 0.003 0.000 1.007 636 I CA -0.431 60.785 61.300 -0.140 0.000 1.167 636 I CB 1.281 39.211 38.000 -0.117 0.000 1.320 636 I HN 0.584 nan 8.210 nan 0.000 0.458 637 E N 6.785 127.015 120.200 0.050 0.000 2.115 637 E HA 0.416 4.780 4.350 0.023 0.000 0.282 637 E C -1.412 175.281 176.600 0.155 0.000 0.987 637 E CA -0.547 55.904 56.400 0.085 0.000 0.797 637 E CB 1.273 31.010 29.700 0.061 0.000 1.086 637 E HN 0.334 nan 8.360 nan 0.000 0.397 638 V N 4.456 124.449 119.914 0.133 0.000 2.398 638 V HA 0.310 4.444 4.120 0.023 0.000 0.286 638 V C 0.005 176.131 176.094 0.054 0.000 1.026 638 V CA -0.496 61.852 62.300 0.081 0.000 0.868 638 V CB 1.694 33.593 31.823 0.127 0.000 0.982 638 V HN 0.700 nan 8.190 nan 0.000 0.443 639 T N 3.195 117.742 114.554 -0.012 0.000 2.829 639 T HA 0.366 4.730 4.350 0.023 0.000 0.280 639 T C -0.102 174.612 174.700 0.024 0.000 0.999 639 T CA -0.346 61.761 62.100 0.013 0.000 0.983 639 T CB 1.659 70.510 68.868 -0.028 0.000 0.968 639 T HN 0.663 nan 8.240 nan 0.000 0.446 640 S N 1.455 117.171 115.700 0.026 0.000 2.499 640 S HA 0.213 4.697 4.470 0.023 0.000 0.279 640 S C 0.708 175.161 174.600 -0.246 0.000 1.219 640 S CA -0.601 57.524 58.200 -0.125 0.000 1.062 640 S CB 0.508 63.706 63.200 -0.003 0.000 0.978 640 S HN 0.703 nan 8.310 nan 0.000 0.489 641 E N 3.116 123.049 120.200 -0.444 0.000 2.463 641 E HA 0.093 4.457 4.350 0.023 0.000 0.193 641 E C -0.707 175.696 176.600 -0.328 0.000 1.041 641 E CA -0.126 56.075 56.400 -0.331 0.000 0.879 641 E CB 0.163 29.686 29.700 -0.296 0.000 0.997 641 E HN 0.692 nan 8.360 nan 0.000 0.478 642 Y N 0.658 120.821 120.300 -0.228 0.000 2.578 642 Y HA -0.055 4.508 4.550 0.022 0.000 0.339 642 Y C 1.439 177.170 175.900 -0.281 0.000 1.231 642 Y CA 0.212 58.178 58.100 -0.224 0.000 1.461 642 Y CB 0.677 38.992 38.460 -0.242 0.000 1.323 642 Y HN -0.001 nan 8.280 nan 0.000 0.590 643 L N 1.270 122.336 121.223 -0.263 0.000 2.463 643 L HA 0.060 4.414 4.340 0.023 0.000 0.219 643 L C 0.704 177.171 176.870 -0.673 0.000 1.088 643 L CA 0.600 55.057 54.840 -0.638 0.000 0.849 643 L CB 0.007 41.317 42.059 -1.248 0.000 1.012 643 L HN 0.666 nan 8.230 nan 0.000 0.468 644 F N -0.448 119.514 119.950 0.020 0.000 2.581 644 F HA 0.194 4.734 4.527 0.021 0.000 0.278 644 F C 1.352 177.137 175.800 -0.025 0.000 1.000 644 F CA -0.762 57.227 58.000 -0.018 0.000 1.230 644 F CB 0.332 39.305 39.000 -0.044 0.000 1.008 644 F HN -0.148 nan 8.300 nan 0.000 0.695 645 R N 0.655 121.208 120.500 0.087 0.000 2.536 645 R HA 0.357 4.711 4.340 0.023 0.000 0.279 645 R C -0.610 175.675 176.300 -0.025 0.000 1.001 645 R CA -0.538 55.563 56.100 0.002 0.000 1.027 645 R CB 0.624 30.823 30.300 -0.168 0.000 1.096 645 R HN 0.119 nan 8.270 nan 0.000 0.502 646 H N 0.502 119.565 119.070 -0.013 0.000 2.505 646 H HA 0.032 4.602 4.556 0.023 0.000 0.355 646 H C 0.275 175.625 175.328 0.037 0.000 1.179 646 H CA 0.272 56.344 56.048 0.039 0.000 1.343 646 H CB 1.673 31.465 29.762 0.050 0.000 1.501 646 H HN 0.798 nan 8.280 nan 0.000 0.569 647 S N 1.108 116.961 115.700 0.255 0.000 3.870 647 S HA -0.086 4.398 4.470 0.023 0.000 0.198 647 S C 0.478 175.190 174.600 0.186 0.000 1.336 647 S CA -0.381 57.991 58.200 0.286 0.000 1.049 647 S CB -0.935 62.500 63.200 0.392 0.000 1.412 647 S HN 0.577 nan 8.310 nan 0.000 0.448 648 D N 0.645 121.126 120.400 0.134 0.000 2.338 648 D HA -0.018 4.636 4.640 0.023 0.000 0.239 648 D C 0.415 176.759 176.300 0.074 0.000 1.095 648 D CA 0.041 54.096 54.000 0.090 0.000 0.888 648 D CB -0.420 40.416 40.800 0.059 0.000 0.899 648 D HN 0.533 nan 8.370 nan 0.000 0.525 649 N N -0.232 118.525 118.700 0.094 0.000 2.609 649 N HA 0.114 4.868 4.740 0.023 0.000 0.251 649 N C -1.683 173.895 175.510 0.114 0.000 1.526 649 N CA -0.223 52.877 53.050 0.083 0.000 0.931 649 N CB 0.238 38.767 38.487 0.069 0.000 1.460 649 N HN -0.054 nan 8.380 nan 0.000 0.526 650 E N 0.320 120.579 120.200 0.099 0.000 2.321 650 E HA 0.473 4.837 4.350 0.023 0.000 0.278 650 E C -1.194 175.440 176.600 0.057 0.000 0.902 650 E CA -0.728 55.722 56.400 0.083 0.000 0.758 650 E CB 2.171 31.894 29.700 0.038 0.000 1.213 650 E HN 0.298 nan 8.360 nan 0.000 0.426 651 L N 1.209 122.472 121.223 0.066 0.000 2.381 651 L HA 0.697 5.051 4.340 0.023 0.000 0.268 651 L C -1.475 175.462 176.870 0.111 0.000 0.997 651 L CA -1.182 53.706 54.840 0.080 0.000 0.818 651 L CB 1.384 43.490 42.059 0.080 0.000 1.310 651 L HN 0.560 nan 8.230 nan 0.000 0.416 652 L N 3.994 125.300 121.223 0.138 0.000 2.275 652 L HA 0.456 4.810 4.340 0.023 0.000 0.288 652 L C -0.385 176.640 176.870 0.257 0.000 1.046 652 L CA 0.134 55.093 54.840 0.198 0.000 0.805 652 L CB 0.670 42.857 42.059 0.213 0.000 1.193 652 L HN 0.721 nan 8.230 nan 0.000 0.426 653 H N 6.135 125.297 119.070 0.153 0.000 2.469 653 H HA 0.387 4.957 4.556 0.023 0.000 0.342 653 H C -1.625 173.814 175.328 0.185 0.000 1.115 653 H CA -0.695 55.408 56.048 0.090 0.000 1.204 653 H CB 1.100 30.868 29.762 0.010 0.000 1.492 653 H HN 0.769 nan 8.280 nan 0.000 0.499 654 W N 5.028 125.938 121.300 -0.650 0.000 2.962 654 W HA 0.582 5.255 4.660 0.023 0.000 0.341 654 W C -2.042 174.154 176.519 -0.539 0.000 1.155 654 W CA -1.269 55.809 57.345 -0.444 0.000 1.165 654 W CB 1.578 30.943 29.460 -0.158 0.000 1.435 654 W HN 0.537 nan 8.180 nan 0.000 0.546 655 M N 2.731 122.405 119.600 0.124 0.000 2.333 655 M HA 0.497 4.990 4.480 0.023 0.000 0.286 655 M C -2.627 173.849 176.300 0.292 0.000 1.113 655 M CA -0.854 54.492 55.300 0.077 0.000 0.959 655 M CB 1.443 34.010 32.600 -0.056 0.000 1.776 655 M HN 0.213 nan 8.290 nan 0.000 0.492 656 V N 3.973 124.068 119.914 0.301 0.000 2.448 656 V HA 1.028 5.162 4.120 0.023 0.000 0.295 656 V C -0.276 175.925 176.094 0.179 0.000 1.025 656 V CA -0.098 62.361 62.300 0.266 0.000 0.859 656 V CB 1.125 33.115 31.823 0.278 0.000 0.988 656 V HN 1.110 nan 8.190 nan 0.000 0.431 657 A N 4.636 127.569 122.820 0.188 0.000 2.475 657 A HA 0.879 5.213 4.320 0.023 0.000 0.301 657 A C -1.494 176.205 177.584 0.191 0.000 1.059 657 A CA -0.614 51.506 52.037 0.139 0.000 0.710 657 A CB 1.749 20.798 19.000 0.082 0.000 1.288 657 A HN 0.819 nan 8.150 nan 0.000 0.408 658 L N 1.651 122.958 121.223 0.140 0.000 2.272 658 L HA 0.502 4.856 4.340 0.023 0.000 0.289 658 L C -0.466 176.506 176.870 0.169 0.000 1.032 658 L CA 0.184 55.122 54.840 0.163 0.000 0.810 658 L CB 0.414 42.535 42.059 0.103 0.000 1.205 658 L HN 0.770 nan 8.230 nan 0.000 0.422 659 D N 4.904 125.471 120.400 0.279 0.000 2.755 659 D HA -0.223 4.430 4.640 0.023 0.000 0.227 659 D C 1.155 177.495 176.300 0.066 0.000 1.211 659 D CA 1.293 55.445 54.000 0.252 0.000 0.663 659 D CB -1.075 39.839 40.800 0.189 0.000 0.983 659 D HN 1.212 nan 8.370 nan 0.000 0.407 660 G N -0.276 108.524 108.800 -0.000 0.000 2.212 660 G HA2 -0.372 3.602 3.960 0.023 0.000 0.266 660 G HA3 -0.372 3.602 3.960 0.023 0.000 0.266 660 G C 0.167 174.991 174.900 -0.127 0.000 0.978 660 G CA 0.736 45.724 45.100 -0.187 0.000 0.632 660 G HN 0.541 nan 8.290 nan 0.000 0.537 661 K N 1.508 121.886 120.400 -0.036 0.000 2.316 661 K HA 0.501 4.834 4.320 0.023 0.000 0.267 661 K C -2.872 173.728 176.600 -0.001 0.000 1.025 661 K CA -2.190 54.078 56.287 -0.032 0.000 0.896 661 K CB 2.153 34.646 32.500 -0.011 0.000 1.124 661 K HN 0.002 nan 8.250 nan 0.000 0.451 662 P HA -0.081 nan 4.420 nan 0.000 0.261 662 P C 0.019 177.329 177.300 0.016 0.000 1.183 662 P CA 0.185 63.283 63.100 -0.004 0.000 0.761 662 P CB 0.518 32.199 31.700 -0.031 0.000 0.785 663 L N 1.491 122.741 121.223 0.045 0.000 2.803 663 L HA 0.499 4.852 4.340 0.023 0.000 0.246 663 L C 0.713 177.622 176.870 0.066 0.000 1.100 663 L CA 0.401 55.275 54.840 0.057 0.000 0.919 663 L CB 0.334 42.440 42.059 0.079 0.000 1.285 663 L HN 0.442 nan 8.230 nan 0.000 0.522 664 A N -0.403 122.458 122.820 0.068 0.000 2.550 664 A HA 0.567 4.901 4.320 0.023 0.000 0.295 664 A C -0.739 176.775 177.584 -0.116 0.000 1.001 664 A CA 0.225 52.292 52.037 0.050 0.000 0.660 664 A CB 1.052 20.189 19.000 0.229 0.000 1.308 664 A HN 0.100 nan 8.150 nan 0.000 0.426 665 S N -0.650 114.725 115.700 -0.542 0.000 2.703 665 S HA 1.009 5.493 4.470 0.023 0.000 0.273 665 S C -0.105 173.535 174.600 -1.599 0.000 1.178 665 S CA 0.140 57.592 58.200 -1.248 0.000 0.838 665 S CB 0.832 63.705 63.200 -0.546 0.000 1.178 665 S HN 2.829 nan 8.310 nan 0.000 0.494 666 G N -0.227 107.580 108.800 -1.655 0.000 2.322 666 G HA2 0.526 4.500 3.960 0.023 0.000 0.295 666 G HA3 0.526 4.500 3.960 0.023 0.000 0.295 666 G C -2.326 172.269 174.900 -0.507 0.000 1.369 666 G CA -0.261 44.321 45.100 -0.864 0.000 0.821 666 G HN 1.150 nan 8.290 nan 0.000 0.536 667 E N -1.408 118.766 120.200 -0.043 0.000 2.367 667 E HA 0.712 5.076 4.350 0.023 0.000 0.273 667 E C -1.597 175.105 176.600 0.170 0.000 0.903 667 E CA -1.084 55.386 56.400 0.116 0.000 0.764 667 E CB 2.656 32.435 29.700 0.132 0.000 1.252 667 E HN 0.818 nan 8.360 nan 0.000 0.446 668 V N 1.095 121.117 119.914 0.181 0.000 2.711 668 V HA 0.372 4.505 4.120 0.023 0.000 0.304 668 V C -2.533 173.634 176.094 0.122 0.000 1.097 668 V CA -1.752 60.638 62.300 0.151 0.000 0.906 668 V CB 1.740 33.664 31.823 0.169 0.000 1.015 668 V HN 0.686 nan 8.190 nan 0.000 0.427 669 P HA 0.266 nan 4.420 nan 0.000 0.271 669 P C -0.714 176.634 177.300 0.081 0.000 1.218 669 P CA -0.085 63.063 63.100 0.080 0.000 0.780 669 P CB 1.157 32.898 31.700 0.068 0.000 0.901 670 L N 2.289 123.553 121.223 0.068 0.000 2.334 670 L HA 0.360 4.714 4.340 0.023 0.000 0.277 670 L C 0.540 177.470 176.870 0.099 0.000 1.075 670 L CA 0.049 54.927 54.840 0.063 0.000 0.804 670 L CB 0.918 42.969 42.059 -0.014 0.000 1.174 670 L HN 0.390 nan 8.230 nan 0.000 0.438 671 D N 2.557 123.031 120.400 0.123 0.000 2.517 671 D HA 0.316 4.969 4.640 0.023 0.000 0.263 671 D C -1.323 175.101 176.300 0.207 0.000 1.233 671 D CA -0.181 53.917 54.000 0.163 0.000 0.849 671 D CB 0.841 41.717 40.800 0.126 0.000 1.261 671 D HN 0.062 nan 8.370 nan 0.000 0.516 672 V N 0.909 120.962 119.914 0.232 0.000 2.495 672 V HA 0.890 5.024 4.120 0.023 0.000 0.298 672 V C 0.952 177.068 176.094 0.038 0.000 1.031 672 V CA -1.249 61.160 62.300 0.182 0.000 0.871 672 V CB 1.192 33.152 31.823 0.228 0.000 0.988 672 V HN 0.516 nan 8.190 nan 0.000 0.432 673 A N 6.130 128.833 122.820 -0.195 0.000 2.366 673 A HA 0.662 4.996 4.320 0.023 0.000 0.249 673 A C -2.232 175.118 177.584 -0.391 0.000 1.084 673 A CA -1.408 50.073 52.037 -0.928 0.000 0.794 673 A CB -0.293 18.454 19.000 -0.422 0.000 1.034 673 A HN 0.721 nan 8.150 nan 0.000 0.491 674 P HA -0.002 nan 4.420 nan 0.000 0.261 674 P C -0.465 176.764 177.300 -0.118 0.000 1.183 674 P CA 0.692 63.708 63.100 -0.140 0.000 0.761 674 P CB 0.523 32.153 31.700 -0.117 0.000 0.785 675 Q N -0.947 118.795 119.800 -0.096 0.000 2.362 675 Q HA -0.163 4.190 4.340 0.023 0.000 0.220 675 Q C 0.764 176.733 176.000 -0.051 0.000 0.713 675 Q CA 1.848 57.601 55.803 -0.083 0.000 1.345 675 Q CB -2.555 26.135 28.738 -0.080 0.000 1.570 675 Q HN 0.752 nan 8.270 nan 0.000 0.701 676 G N 0.076 108.850 108.800 -0.042 0.000 2.535 676 G HA2 0.560 4.533 3.960 0.023 0.000 0.303 676 G HA3 0.560 4.533 3.960 0.023 0.000 0.303 676 G C -0.269 174.645 174.900 0.023 0.000 1.237 676 G CA -0.510 44.585 45.100 -0.009 0.000 0.986 676 G HN -0.018 nan 8.290 nan 0.000 0.494 677 K N -0.758 119.664 120.400 0.037 0.000 2.395 677 K HA 0.472 4.805 4.320 0.023 0.000 0.247 677 K C -1.004 175.635 176.600 0.064 0.000 0.973 677 K CA -0.599 55.717 56.287 0.050 0.000 0.828 677 K CB 2.455 34.976 32.500 0.034 0.000 1.272 677 K HN 0.539 nan 8.250 nan 0.000 0.439 678 Q N 2.794 122.638 119.800 0.074 0.000 2.289 678 Q HA 0.380 4.733 4.340 0.023 0.000 0.270 678 Q C -1.678 174.360 176.000 0.063 0.000 1.038 678 Q CA -0.653 55.195 55.803 0.075 0.000 0.812 678 Q CB 1.394 30.189 28.738 0.095 0.000 1.300 678 Q HN 0.515 nan 8.270 nan 0.000 0.427 679 L N 4.483 125.733 121.223 0.045 0.000 2.309 679 L HA 0.606 4.960 4.340 0.023 0.000 0.282 679 L C -0.409 176.472 176.870 0.018 0.000 1.036 679 L CA -0.750 54.105 54.840 0.025 0.000 0.806 679 L CB 1.308 43.370 42.059 0.006 0.000 1.220 679 L HN 0.578 nan 8.230 nan 0.000 0.429 680 I N 2.079 122.647 120.570 -0.004 0.000 2.439 680 I HA 0.243 4.427 4.170 0.023 0.000 0.285 680 I C -0.515 175.549 176.117 -0.087 0.000 1.021 680 I CA -0.530 60.758 61.300 -0.021 0.000 1.091 680 I CB 2.152 40.155 38.000 0.004 0.000 1.242 680 I HN 0.516 nan 8.210 nan 0.000 0.439 681 E N 5.965 126.118 120.200 -0.077 0.000 2.229 681 E HA 0.463 4.826 4.350 0.023 0.000 0.283 681 E C -0.833 175.661 176.600 -0.176 0.000 1.030 681 E CA -0.271 56.058 56.400 -0.118 0.000 0.836 681 E CB 1.075 30.730 29.700 -0.075 0.000 1.068 681 E HN 0.383 nan 8.360 nan 0.000 0.401 682 L N 5.985 127.038 121.223 -0.284 0.000 2.395 682 L HA 0.391 4.745 4.340 0.023 0.000 0.269 682 L C -1.862 174.860 176.870 -0.247 0.000 1.133 682 L CA -1.979 52.601 54.840 -0.433 0.000 0.812 682 L CB 0.643 42.324 42.059 -0.629 0.000 1.125 682 L HN 0.425 nan 8.230 nan 0.000 0.452 683 P HA 0.013 nan 4.420 nan 0.000 0.275 683 P C -0.586 176.676 177.300 -0.064 0.000 1.228 683 P CA -0.497 62.574 63.100 -0.049 0.000 0.786 683 P CB 0.512 32.248 31.700 0.060 0.000 0.927 684 E N 2.400 122.576 120.200 -0.040 0.000 2.829 684 E HA -0.114 4.250 4.350 0.023 0.000 0.264 684 E C -0.708 175.881 176.600 -0.018 0.000 0.922 684 E CA 0.276 56.655 56.400 -0.036 0.000 0.960 684 E CB 0.058 29.746 29.700 -0.019 0.000 0.918 684 E HN 0.317 nan 8.360 nan 0.000 0.497 685 L N 7.384 128.589 121.223 -0.031 0.000 2.356 685 L HA 0.282 4.635 4.340 0.023 0.000 0.282 685 L C -1.945 174.931 176.870 0.010 0.000 1.132 685 L CA -1.963 52.873 54.840 -0.006 0.000 0.923 685 L CB 0.142 42.189 42.059 -0.020 0.000 1.278 685 L HN 0.393 nan 8.230 nan 0.000 0.436 686 P HA -0.109 nan 4.420 nan 0.000 0.261 686 P C -0.011 177.301 177.300 0.021 0.000 1.158 686 P CA 0.036 63.151 63.100 0.025 0.000 0.758 686 P CB 0.372 32.093 31.700 0.035 0.000 0.763 687 Q N 3.654 123.462 119.800 0.014 0.000 2.539 687 Q HA 0.200 4.553 4.340 0.023 0.000 0.268 687 Q C -2.033 173.978 176.000 0.019 0.000 1.109 687 Q CA -0.321 55.489 55.803 0.012 0.000 0.968 687 Q CB -0.780 27.963 28.738 0.008 0.000 1.309 687 Q HN 0.387 nan 8.270 nan 0.000 0.497 688 P HA 0.324 nan 4.420 nan 0.000 0.313 688 P C -1.493 175.820 177.300 0.022 0.000 1.480 688 P CA -0.699 62.416 63.100 0.025 0.000 1.132 688 P CB 1.605 33.324 31.700 0.031 0.000 1.346 689 E N 1.815 122.029 120.200 0.023 0.000 2.001 689 E HA 0.467 4.831 4.350 0.023 0.000 0.279 689 E C -0.256 176.359 176.600 0.025 0.000 1.045 689 E CA 0.112 56.525 56.400 0.021 0.000 0.833 689 E CB 0.291 30.002 29.700 0.019 0.000 1.077 689 E HN 0.622 nan 8.360 nan 0.000 0.397 690 S N 0.626 116.341 115.700 0.025 0.000 2.834 690 S HA 0.045 4.529 4.470 0.023 0.000 0.424 690 S C -0.222 174.399 174.600 0.034 0.000 0.714 690 S CA -0.478 57.740 58.200 0.030 0.000 1.378 690 S CB -0.664 62.554 63.200 0.031 0.000 1.228 690 S HN 0.704 nan 8.310 nan 0.000 0.433 691 A N 2.119 124.960 122.820 0.036 0.000 2.521 691 A HA 0.719 5.053 4.320 0.023 0.000 0.237 691 A C 1.540 179.157 177.584 0.054 0.000 1.087 691 A CA 1.065 53.126 52.037 0.041 0.000 0.777 691 A CB -1.015 18.010 19.000 0.042 0.000 1.035 691 A HN 2.958 nan 8.150 nan 0.000 0.510 692 G N -0.854 107.981 108.800 0.059 0.000 2.340 692 G HA2 0.470 4.444 3.960 0.023 0.000 0.527 692 G HA3 0.470 4.444 3.960 0.023 0.000 0.527 692 G C -1.018 173.924 174.900 0.070 0.000 1.381 692 G CA -0.051 45.100 45.100 0.085 0.000 1.001 692 G HN 1.368 nan 8.290 nan 0.000 0.626 693 Q N -0.433 119.429 119.800 0.102 0.000 2.293 693 Q HA 0.763 5.116 4.340 0.023 0.000 0.261 693 Q C -0.469 175.582 176.000 0.086 0.000 0.960 693 Q CA -0.647 55.173 55.803 0.028 0.000 0.882 693 Q CB 1.424 30.154 28.738 -0.015 0.000 1.275 693 Q HN 0.629 nan 8.270 nan 0.000 0.445 694 L N 3.938 125.149 121.223 -0.021 0.000 2.334 694 L HA 0.530 4.883 4.340 0.023 0.000 0.277 694 L C -0.892 175.952 176.870 -0.043 0.000 1.075 694 L CA -0.350 54.527 54.840 0.061 0.000 0.804 694 L CB 0.810 42.879 42.059 0.016 0.000 1.174 694 L HN 0.695 nan 8.230 nan 0.000 0.438 695 W N 4.094 125.441 121.300 0.079 0.000 2.739 695 W HA 0.518 5.192 4.660 0.022 0.000 0.331 695 W C -0.926 175.681 176.519 0.148 0.000 1.049 695 W CA -0.518 56.893 57.345 0.110 0.000 1.234 695 W CB 1.687 31.233 29.460 0.144 0.000 1.404 695 W HN 0.109 nan 8.180 nan 0.000 0.477 696 L N 3.730 125.215 121.223 0.437 0.000 2.272 696 L HA 0.731 5.084 4.340 0.023 0.000 0.289 696 L C -0.306 176.849 176.870 0.475 0.000 1.032 696 L CA 0.264 55.339 54.840 0.391 0.000 0.810 696 L CB 0.994 43.215 42.059 0.269 0.000 1.205 696 L HN 0.316 nan 8.230 nan 0.000 0.422 697 T N 5.063 119.840 114.554 0.371 0.000 2.829 697 T HA 0.678 5.042 4.350 0.023 0.000 0.280 697 T C -0.597 174.272 174.700 0.282 0.000 0.999 697 T CA -0.421 61.866 62.100 0.311 0.000 0.983 697 T CB 1.635 70.638 68.868 0.223 0.000 0.968 697 T HN 0.608 nan 8.240 nan 0.000 0.446 698 V N 1.271 121.333 119.914 0.248 0.000 2.864 698 V HA 0.865 4.999 4.120 0.023 0.000 0.314 698 V C -1.047 175.156 176.094 0.182 0.000 1.073 698 V CA -1.233 61.180 62.300 0.189 0.000 0.956 698 V CB 1.958 33.856 31.823 0.124 0.000 1.023 698 V HN 0.896 nan 8.190 nan 0.000 0.435 699 R N 2.408 123.049 120.500 0.235 0.000 2.604 699 R HA 0.747 5.101 4.340 0.023 0.000 0.281 699 R C -1.807 174.663 176.300 0.284 0.000 1.020 699 R CA -0.825 55.451 56.100 0.292 0.000 0.899 699 R CB 2.498 32.954 30.300 0.259 0.000 1.205 699 R HN 0.597 nan 8.270 nan 0.000 0.450 700 V N 3.241 123.348 119.914 0.321 0.000 2.350 700 V HA 0.320 4.453 4.120 0.023 0.000 0.276 700 V C -0.220 176.009 176.094 0.224 0.000 1.028 700 V CA -0.604 61.845 62.300 0.248 0.000 0.860 700 V CB 1.589 33.544 31.823 0.220 0.000 0.990 700 V HN 0.467 nan 8.190 nan 0.000 0.453 701 V N 5.250 125.262 119.914 0.163 0.000 2.495 701 V HA 0.402 4.535 4.120 0.023 0.000 0.298 701 V C -0.187 175.983 176.094 0.126 0.000 1.031 701 V CA -0.740 61.637 62.300 0.127 0.000 0.871 701 V CB 1.965 33.832 31.823 0.074 0.000 0.988 701 V HN 0.860 nan 8.190 nan 0.000 0.432 702 Q N 5.733 125.620 119.800 0.144 0.000 2.421 702 Q HA 0.253 4.606 4.340 0.023 0.000 0.242 702 Q C -1.684 174.354 176.000 0.063 0.000 1.024 702 Q CA -1.783 54.095 55.803 0.125 0.000 0.891 702 Q CB 1.768 30.604 28.738 0.163 0.000 1.222 702 Q HN 0.497 nan 8.270 nan 0.000 0.483 703 P HA -0.163 nan 4.420 nan 0.000 0.218 703 P C -0.546 176.754 177.300 0.000 0.000 1.149 703 P CA 1.157 64.268 63.100 0.019 0.000 0.817 703 P CB 0.382 32.092 31.700 0.018 0.000 0.785 704 N N -0.721 117.974 118.700 -0.007 0.000 2.405 704 N HA 0.467 5.221 4.740 0.023 0.000 0.299 704 N C -0.362 175.101 175.510 -0.079 0.000 1.075 704 N CA -0.743 52.287 53.050 -0.034 0.000 0.884 704 N CB 1.240 39.711 38.487 -0.026 0.000 1.194 704 N HN -0.079 nan 8.380 nan 0.000 0.491 705 A N 0.811 123.576 122.820 -0.091 0.000 2.429 705 A HA 0.464 4.797 4.320 0.023 0.000 0.242 705 A C 0.529 177.992 177.584 -0.201 0.000 1.088 705 A CA 0.119 52.066 52.037 -0.150 0.000 0.784 705 A CB -0.021 18.915 19.000 -0.107 0.000 1.038 705 A HN 0.712 nan 8.150 nan 0.000 0.501 706 T N -3.526 110.832 114.554 -0.328 0.000 2.716 706 T HA 0.624 4.988 4.350 0.023 0.000 0.286 706 T C 0.849 175.386 174.700 -0.271 0.000 1.052 706 T CA 0.033 61.925 62.100 -0.346 0.000 1.024 706 T CB 1.093 69.534 68.868 -0.711 0.000 1.349 706 T HN 1.441 nan 8.240 nan 0.000 0.525 707 A N -0.076 122.678 122.820 -0.109 0.000 2.121 707 A HA 0.107 4.440 4.320 0.023 0.000 0.218 707 A C 1.584 179.294 177.584 0.209 0.000 1.154 707 A CA 1.167 53.246 52.037 0.070 0.000 0.679 707 A CB -0.895 18.184 19.000 0.133 0.000 0.795 707 A HN 0.916 nan 8.150 nan 0.000 0.458 708 W N -1.097 120.266 121.300 0.105 0.000 2.714 708 W HA 0.394 5.068 4.660 0.024 0.000 0.353 708 W C -0.105 176.397 176.519 -0.027 0.000 0.999 708 W CA 0.545 57.933 57.345 0.073 0.000 1.629 708 W CB -0.978 28.518 29.460 0.061 0.000 1.106 708 W HN 0.401 nan 8.180 nan 0.000 0.545 709 S N 0.132 115.320 115.700 -0.854 0.000 2.607 709 S HA 0.521 5.005 4.470 0.023 0.000 0.273 709 S C -1.059 173.295 174.600 -0.410 0.000 1.148 709 S CA -0.713 57.059 58.200 -0.714 0.000 0.833 709 S CB 2.854 65.243 63.200 -1.352 0.000 1.130 709 S HN 0.092 nan 8.310 nan 0.000 0.470 710 E N 0.424 120.504 120.200 -0.201 0.000 2.250 710 E HA 0.614 4.978 4.350 0.023 0.000 0.269 710 E C 0.048 176.608 176.600 -0.065 0.000 1.018 710 E CA -0.956 55.386 56.400 -0.097 0.000 0.873 710 E CB 1.490 31.178 29.700 -0.020 0.000 1.134 710 E HN 0.875 nan 8.360 nan 0.000 0.403 711 A N 1.006 123.796 122.820 -0.050 0.000 2.540 711 A HA 0.359 4.693 4.320 0.023 0.000 0.239 711 A C 1.165 178.751 177.584 0.003 0.000 1.061 711 A CA 0.950 52.971 52.037 -0.027 0.000 0.758 711 A CB -0.529 18.455 19.000 -0.025 0.000 0.991 711 A HN 0.833 nan 8.150 nan 0.000 0.502 712 G N 0.740 109.552 108.800 0.021 0.000 2.234 712 G HA2 -0.243 3.731 3.960 0.023 0.000 0.235 712 G HA3 -0.243 3.731 3.960 0.023 0.000 0.235 712 G C 0.325 175.255 174.900 0.050 0.000 0.997 712 G CA 0.609 45.722 45.100 0.021 0.000 0.623 712 G HN 1.797 nan 8.290 nan 0.000 0.514 713 H N 1.175 120.246 119.070 0.002 0.000 3.195 713 H HA 0.321 4.891 4.556 0.023 0.000 0.302 713 H C 0.724 176.124 175.328 0.120 0.000 0.950 713 H CA 0.754 56.830 56.048 0.047 0.000 1.398 713 H CB 0.041 29.806 29.762 0.006 0.000 1.377 713 H HN 0.369 nan 8.280 nan 0.000 0.572 714 I N 4.668 124.971 120.570 -0.444 0.000 2.315 714 I HA 0.037 4.221 4.170 0.023 0.000 0.291 714 I C 0.980 176.995 176.117 -0.171 0.000 1.006 714 I CA 0.085 61.284 61.300 -0.168 0.000 1.265 714 I CB 1.500 39.456 38.000 -0.073 0.000 1.387 714 I HN 0.781 nan 8.210 nan 0.000 0.475 715 S N 4.162 120.006 115.700 0.240 0.000 2.511 715 S HA 0.588 5.072 4.470 0.023 0.000 0.214 715 S C 0.409 175.336 174.600 0.544 0.000 0.997 715 S CA -0.022 58.473 58.200 0.492 0.000 0.908 715 S CB 0.510 64.105 63.200 0.658 0.000 0.803 715 S HN 0.731 nan 8.310 nan 0.000 0.504 716 A N 0.443 123.618 122.820 0.591 0.000 2.597 716 A HA 0.662 4.995 4.320 0.023 0.000 0.292 716 A C -1.812 176.203 177.584 0.718 0.000 1.057 716 A CA -0.896 51.479 52.037 0.563 0.000 0.674 716 A CB 0.250 19.594 19.000 0.573 0.000 1.278 716 A HN 0.936 nan 8.150 nan 0.000 0.416 717 W N -0.523 120.978 121.300 0.336 0.000 3.005 717 W HA 0.813 5.488 4.660 0.024 0.000 0.343 717 W C -1.150 175.417 176.519 0.079 0.000 1.243 717 W CA -0.631 56.795 57.345 0.136 0.000 1.186 717 W CB 1.190 30.701 29.460 0.085 0.000 1.453 717 W HN 1.059 nan 8.180 nan 0.000 0.575 718 Q N 0.944 120.739 119.800 -0.009 0.000 2.594 718 Q HA 0.404 4.757 4.340 0.023 0.000 0.278 718 Q C -1.593 174.246 176.000 -0.268 0.000 0.961 718 Q CA -0.435 55.198 55.803 -0.282 0.000 0.844 718 Q CB 2.292 30.618 28.738 -0.686 0.000 1.475 718 Q HN 0.616 nan 8.270 nan 0.000 0.389 719 Q N 1.372 120.971 119.800 -0.334 0.000 2.484 719 Q HA 0.669 5.023 4.340 0.023 0.000 0.285 719 Q C -1.103 174.769 176.000 -0.213 0.000 1.097 719 Q CA -0.760 55.033 55.803 -0.016 0.000 0.802 719 Q CB 2.548 31.461 28.738 0.291 0.000 1.444 719 Q HN 0.598 nan 8.270 nan 0.000 0.429 720 W N 0.723 122.172 121.300 0.248 0.000 3.256 720 W HA 0.419 5.093 4.660 0.022 0.000 0.324 720 W C -0.451 175.959 176.519 -0.180 0.000 1.196 720 W CA -0.637 56.743 57.345 0.058 0.000 1.206 720 W CB 1.817 31.276 29.460 -0.001 0.000 1.385 720 W HN 0.453 nan 8.180 nan 0.000 0.522 721 R N 1.615 121.901 120.500 -0.357 0.000 2.490 721 R HA 0.476 4.830 4.340 0.023 0.000 0.280 721 R C 0.537 176.633 176.300 -0.339 0.000 1.077 721 R CA 0.015 55.608 56.100 -0.845 0.000 1.065 721 R CB 1.058 30.853 30.300 -0.842 0.000 1.003 721 R HN 0.334 nan 8.270 nan 0.000 0.470 722 L N 1.049 122.094 121.223 -0.298 0.000 2.760 722 L HA 0.548 4.902 4.340 0.023 0.000 0.213 722 L C 0.446 177.218 176.870 -0.163 0.000 2.003 722 L CA -1.079 53.666 54.840 -0.157 0.000 2.737 722 L CB -0.158 41.849 42.059 -0.086 0.000 2.794 722 L HN 0.594 nan 8.230 nan 0.000 0.633 723 A N 0.309 123.065 122.820 -0.107 0.000 2.425 723 A HA 0.232 4.565 4.320 0.023 0.000 0.242 723 A C -0.339 177.190 177.584 -0.092 0.000 1.077 723 A CA 0.219 52.202 52.037 -0.089 0.000 0.781 723 A CB 0.202 19.169 19.000 -0.055 0.000 1.020 723 A HN 0.599 nan 8.150 nan 0.000 0.494 724 E N 0.759 120.912 120.200 -0.077 0.000 2.238 724 E HA 0.343 4.707 4.350 0.023 0.000 0.267 724 E C -1.382 175.202 176.600 -0.026 0.000 0.887 724 E CA -0.757 55.608 56.400 -0.059 0.000 0.769 724 E CB 0.953 30.610 29.700 -0.072 0.000 1.187 724 E HN 0.715 nan 8.360 nan 0.000 0.416 725 N N 4.813 123.509 118.700 -0.005 0.000 2.479 725 N HA 0.271 5.024 4.740 0.023 0.000 0.261 725 N C -0.696 174.822 175.510 0.014 0.000 0.979 725 N CA -0.389 52.663 53.050 0.004 0.000 0.930 725 N CB 1.266 39.759 38.487 0.009 0.000 1.172 725 N HN 0.402 nan 8.380 nan 0.000 0.499 726 L N 0.655 121.885 121.223 0.012 0.000 2.426 726 L HA 0.174 4.528 4.340 0.023 0.000 0.271 726 L C 1.310 178.195 176.870 0.026 0.000 1.169 726 L CA -0.101 54.752 54.840 0.021 0.000 0.836 726 L CB 0.494 42.565 42.059 0.020 0.000 1.112 726 L HN 0.366 nan 8.230 nan 0.000 0.465 727 S N 1.226 116.947 115.700 0.034 0.000 2.481 727 S HA 0.253 4.736 4.470 0.023 0.000 0.276 727 S C 0.635 175.254 174.600 0.030 0.000 1.247 727 S CA -0.664 57.557 58.200 0.034 0.000 1.053 727 S CB 0.715 63.940 63.200 0.041 0.000 0.925 727 S HN 0.500 nan 8.310 nan 0.000 0.491 728 V N 2.312 122.241 119.914 0.025 0.000 3.432 728 V HA 0.316 4.450 4.120 0.023 0.000 0.298 728 V C 0.783 176.890 176.094 0.022 0.000 1.464 728 V CA 0.227 62.540 62.300 0.022 0.000 1.046 728 V CB -0.647 31.187 31.823 0.018 0.000 0.887 728 V HN 0.871 nan 8.190 nan 0.000 0.441 729 T N 2.335 116.903 114.554 0.024 0.000 2.765 729 T HA 0.419 4.782 4.350 0.023 0.000 0.284 729 T C -0.010 174.704 174.700 0.023 0.000 0.946 729 T CA -0.295 61.819 62.100 0.023 0.000 1.185 729 T CB -0.420 68.463 68.868 0.024 0.000 0.887 729 T HN 0.389 nan 8.240 nan 0.000 0.532 730 L N 5.878 127.113 121.223 0.020 0.000 2.559 730 L HA 0.211 4.564 4.340 0.023 0.000 0.274 730 L C -0.594 176.287 176.870 0.019 0.000 1.205 730 L CA -1.178 53.673 54.840 0.019 0.000 0.907 730 L CB -1.113 40.956 42.059 0.017 0.000 1.153 730 L HN 0.438 nan 8.230 nan 0.000 0.490 731 P HA -0.095 nan 4.420 nan 0.000 0.217 731 P C -0.135 177.171 177.300 0.010 0.000 0.876 731 P CA 1.492 64.601 63.100 0.015 0.000 1.034 731 P CB 0.065 31.772 31.700 0.012 0.000 0.655 732 A N -3.243 119.580 122.820 0.006 0.000 2.555 732 A HA 0.555 4.889 4.320 0.023 0.000 0.299 732 A C -1.261 176.323 177.584 -0.001 0.000 0.962 732 A CA -0.344 51.696 52.037 0.005 0.000 0.646 732 A CB -0.351 18.646 19.000 -0.004 0.000 1.327 732 A HN 0.438 nan 8.150 nan 0.000 0.428 733 A N 1.669 124.501 122.820 0.020 0.000 2.444 733 A HA 0.566 4.899 4.320 0.023 0.000 0.273 733 A C 0.911 178.509 177.584 0.024 0.000 1.136 733 A CA 0.596 52.653 52.037 0.034 0.000 0.799 733 A CB -0.694 18.343 19.000 0.061 0.000 1.081 733 A HN 2.203 nan 8.150 nan 0.000 0.509 734 S N 2.426 118.130 115.700 0.006 0.000 2.549 734 S HA 0.053 4.537 4.470 0.023 0.000 0.286 734 S C 0.649 175.301 174.600 0.087 0.000 1.314 734 S CA 0.228 58.420 58.200 -0.014 0.000 1.062 734 S CB -0.095 63.105 63.200 -0.000 0.000 0.865 734 S HN 0.745 nan 8.310 nan 0.000 0.498 735 H N 1.854 120.940 119.070 0.027 0.000 2.462 735 H HA 0.272 4.841 4.556 0.023 0.000 0.292 735 H C 1.067 176.412 175.328 0.028 0.000 1.049 735 H CA 0.544 56.607 56.048 0.025 0.000 1.334 735 H CB 0.210 29.987 29.762 0.025 0.000 1.404 735 H HN 0.808 nan 8.280 nan 0.000 0.544 736 A N 0.872 123.769 122.820 0.130 0.000 2.486 736 A HA 0.565 4.899 4.320 0.023 0.000 0.289 736 A C -1.340 176.284 177.584 0.066 0.000 1.176 736 A CA -0.732 51.360 52.037 0.093 0.000 0.757 736 A CB 1.337 20.395 19.000 0.096 0.000 1.337 736 A HN 0.207 nan 8.150 nan 0.000 0.423 737 I N 0.603 121.212 120.570 0.065 0.000 2.418 737 I HA 0.643 4.827 4.170 0.023 0.000 0.287 737 I C -2.635 173.526 176.117 0.074 0.000 1.008 737 I CA -2.170 59.162 61.300 0.054 0.000 1.104 737 I CB 2.064 40.086 38.000 0.037 0.000 1.264 737 I HN 0.335 nan 8.210 nan 0.000 0.438 738 P HA 0.138 nan 4.420 nan 0.000 0.271 738 P C -1.335 176.029 177.300 0.107 0.000 1.218 738 P CA 0.162 63.316 63.100 0.090 0.000 0.780 738 P CB 0.384 32.095 31.700 0.019 0.000 0.901 739 H N 2.635 121.738 119.070 0.054 0.000 2.472 739 H HA 0.443 5.012 4.556 0.023 0.000 0.338 739 H C -1.309 174.050 175.328 0.052 0.000 1.133 739 H CA -0.897 55.176 56.048 0.042 0.000 1.216 739 H CB 1.362 31.150 29.762 0.044 0.000 1.497 739 H HN 0.260 nan 8.280 nan 0.000 0.500 740 L N 4.020 124.859 121.223 -0.640 0.000 2.295 740 L HA 0.343 4.697 4.340 0.023 0.000 0.285 740 L C -0.706 175.897 176.870 -0.445 0.000 1.035 740 L CA -0.097 54.528 54.840 -0.357 0.000 0.806 740 L CB 1.629 43.540 42.059 -0.246 0.000 1.214 740 L HN 0.598 nan 8.230 nan 0.000 0.426 741 T N 3.381 117.952 114.554 0.029 0.000 2.809 741 T HA 0.378 4.742 4.350 0.023 0.000 0.296 741 T C -0.211 174.599 174.700 0.184 0.000 1.015 741 T CA -0.315 61.894 62.100 0.181 0.000 0.954 741 T CB 0.704 69.728 68.868 0.260 0.000 0.950 741 T HN 0.680 nan 8.240 nan 0.000 0.450 742 T N 3.510 118.163 114.554 0.165 0.000 2.799 742 T HA 0.627 4.991 4.350 0.023 0.000 0.286 742 T C 0.278 175.035 174.700 0.096 0.000 0.973 742 T CA -0.588 61.641 62.100 0.216 0.000 1.035 742 T CB 0.894 69.913 68.868 0.251 0.000 0.932 742 T HN 0.702 nan 8.240 nan 0.000 0.469 743 S N 1.874 117.581 115.700 0.011 0.000 2.661 743 S HA 0.534 5.018 4.470 0.023 0.000 0.285 743 S C 0.886 175.424 174.600 -0.103 0.000 1.138 743 S CA -0.773 57.411 58.200 -0.027 0.000 0.855 743 S CB 1.688 64.885 63.200 -0.005 0.000 1.136 743 S HN 0.429 nan 8.310 nan 0.000 0.484 744 E N 0.714 120.872 120.200 -0.070 0.000 2.065 744 E HA -0.179 4.184 4.350 0.023 0.000 0.201 744 E C 1.565 178.083 176.600 -0.138 0.000 1.016 744 E CA 2.609 58.957 56.400 -0.087 0.000 0.818 744 E CB -0.550 29.122 29.700 -0.047 0.000 0.749 744 E HN 0.764 nan 8.360 nan 0.000 0.453 745 M N -0.562 118.972 119.600 -0.111 0.000 2.465 745 M HA 0.314 4.807 4.480 0.023 0.000 0.249 745 M C -0.421 175.796 176.300 -0.137 0.000 1.130 745 M CA 0.401 55.637 55.300 -0.107 0.000 1.067 745 M CB 0.443 33.017 32.600 -0.043 0.000 1.394 745 M HN -0.262 nan 8.290 nan 0.000 0.483 746 D N -0.371 119.932 120.400 -0.163 0.000 2.661 746 D HA 0.417 5.071 4.640 0.023 0.000 0.228 746 D C -1.406 174.815 176.300 -0.131 0.000 1.183 746 D CA -0.320 53.615 54.000 -0.107 0.000 0.844 746 D CB 2.308 43.135 40.800 0.046 0.000 1.555 746 D HN 0.054 nan 8.370 nan 0.000 0.453 747 F N 1.004 121.034 119.950 0.134 0.000 2.402 747 F HA 0.358 4.898 4.527 0.023 0.000 0.355 747 F C 0.171 176.111 175.800 0.232 0.000 1.123 747 F CA -0.734 57.341 58.000 0.126 0.000 1.021 747 F CB 1.243 40.273 39.000 0.051 0.000 1.160 747 F HN 0.048 nan 8.300 nan 0.000 0.451 748 C N 4.756 124.281 119.300 0.375 0.000 2.417 748 C HA 0.741 5.214 4.460 0.023 0.000 0.324 748 C C -0.234 174.941 174.990 0.308 0.000 1.240 748 C CA -0.834 58.385 59.018 0.334 0.000 1.632 748 C CB 0.901 28.781 27.740 0.233 0.000 2.241 748 C HN 0.583 nan 8.230 nan 0.000 0.499 749 I N 2.788 123.588 120.570 0.383 0.000 2.498 749 I HA 0.455 4.638 4.170 0.023 0.000 0.290 749 I C -0.505 175.889 176.117 0.461 0.000 1.032 749 I CA -0.106 61.399 61.300 0.342 0.000 1.073 749 I CB 1.726 39.875 38.000 0.248 0.000 1.251 749 I HN 0.600 nan 8.210 nan 0.000 0.426 750 E N 5.954 126.375 120.200 0.370 0.000 2.222 750 E HA 0.766 5.129 4.350 0.023 0.000 0.267 750 E C -1.417 175.370 176.600 0.312 0.000 0.884 750 E CA -0.657 55.930 56.400 0.313 0.000 0.764 750 E CB 2.595 32.401 29.700 0.177 0.000 1.169 750 E HN 0.341 nan 8.360 nan 0.000 0.413 751 L N 2.547 123.959 121.223 0.316 0.000 2.611 751 L HA 0.602 4.956 4.340 0.023 0.000 0.263 751 L C 0.300 177.269 176.870 0.165 0.000 0.969 751 L CA 0.621 55.618 54.840 0.261 0.000 0.894 751 L CB 1.020 43.289 42.059 0.349 0.000 1.229 751 L HN 0.675 nan 8.230 nan 0.000 0.416 752 G N 4.372 113.232 108.800 0.099 0.000 2.556 752 G HA2 -0.389 3.584 3.960 0.023 0.000 0.283 752 G HA3 -0.389 3.584 3.960 0.023 0.000 0.283 752 G C 0.382 175.297 174.900 0.024 0.000 1.177 752 G CA 0.508 45.643 45.100 0.058 0.000 0.978 752 G HN 1.263 nan 8.290 nan 0.000 0.554 753 N N 1.060 119.760 118.700 -0.000 0.000 2.276 753 N HA 0.232 4.986 4.740 0.023 0.000 0.212 753 N C 0.256 175.727 175.510 -0.065 0.000 1.127 753 N CA 0.472 53.503 53.050 -0.032 0.000 0.834 753 N CB 0.414 38.881 38.487 -0.034 0.000 1.014 753 N HN 0.635 nan 8.380 nan 0.000 0.491 754 K N 0.345 120.698 120.400 -0.078 0.000 2.110 754 K HA 0.452 4.786 4.320 0.023 0.000 0.263 754 K C -0.374 176.091 176.600 -0.224 0.000 0.975 754 K CA -0.453 55.683 56.287 -0.251 0.000 0.895 754 K CB 1.922 34.166 32.500 -0.427 0.000 1.060 754 K HN 0.012 nan 8.250 nan 0.000 0.448 755 R N 1.545 121.849 120.500 -0.326 0.000 2.698 755 R HA 0.420 4.774 4.340 0.023 0.000 0.275 755 R C -1.519 174.761 176.300 -0.034 0.000 1.001 755 R CA -0.709 55.381 56.100 -0.017 0.000 0.896 755 R CB 1.339 31.638 30.300 -0.000 0.000 1.218 755 R HN 0.601 nan 8.270 nan 0.000 0.462 756 W N 2.806 124.237 121.300 0.219 0.000 2.839 756 W HA 0.299 4.973 4.660 0.023 0.000 0.334 756 W C -0.672 175.944 176.519 0.162 0.000 1.064 756 W CA -0.560 56.842 57.345 0.096 0.000 1.236 756 W CB 2.211 31.694 29.460 0.040 0.000 1.405 756 W HN 0.429 nan 8.180 nan 0.000 0.478 757 Q N 2.777 122.721 119.800 0.240 0.000 2.330 757 Q HA 0.467 4.821 4.340 0.023 0.000 0.269 757 Q C -1.959 174.008 176.000 -0.055 0.000 1.022 757 Q CA -0.482 55.455 55.803 0.225 0.000 0.796 757 Q CB 1.500 30.425 28.738 0.312 0.000 1.271 757 Q HN 0.363 nan 8.270 nan 0.000 0.450 758 F N 3.003 123.048 119.950 0.159 0.000 2.375 758 F HA 0.315 4.855 4.527 0.023 0.000 0.361 758 F C 0.518 176.373 175.800 0.091 0.000 1.117 758 F CA -0.819 57.242 58.000 0.100 0.000 1.037 758 F CB 1.307 40.356 39.000 0.081 0.000 1.192 758 F HN 0.517 nan 8.300 nan 0.000 0.452 759 N N 3.724 122.542 118.700 0.197 0.000 2.475 759 N HA 0.056 4.809 4.740 0.023 0.000 0.267 759 N C 0.975 176.526 175.510 0.068 0.000 1.169 759 N CA -0.125 52.992 53.050 0.113 0.000 0.947 759 N CB 0.804 39.357 38.487 0.109 0.000 1.061 759 N HN 0.701 nan 8.380 nan 0.000 0.466 760 R N 2.698 123.170 120.500 -0.047 0.000 2.189 760 R HA -0.105 4.249 4.340 0.023 0.000 0.223 760 R C 1.468 177.728 176.300 -0.065 0.000 1.092 760 R CA 1.143 57.171 56.100 -0.120 0.000 0.989 760 R CB 0.105 30.200 30.300 -0.341 0.000 0.876 760 R HN 0.671 nan 8.270 nan 0.000 0.457 761 Q N 0.013 119.796 119.800 -0.028 0.000 2.349 761 Q HA 0.008 4.362 4.340 0.023 0.000 0.209 761 Q C 2.102 178.105 176.000 0.004 0.000 0.920 761 Q CA 1.177 56.970 55.803 -0.017 0.000 0.901 761 Q CB 0.520 29.258 28.738 -0.000 0.000 1.021 761 Q HN 0.384 nan 8.270 nan 0.000 0.519 762 S N -1.066 114.659 115.700 0.043 0.000 2.388 762 S HA 0.073 4.556 4.470 0.023 0.000 0.223 762 S C 1.561 176.131 174.600 -0.051 0.000 1.034 762 S CA 0.828 59.080 58.200 0.086 0.000 0.963 762 S CB 0.125 63.470 63.200 0.243 0.000 0.827 762 S HN 0.450 nan 8.310 nan 0.000 0.481 763 G N 0.436 109.215 108.800 -0.036 0.000 2.136 763 G HA2 -0.189 3.785 3.960 0.023 0.000 0.242 763 G HA3 -0.189 3.785 3.960 0.023 0.000 0.242 763 G C -0.123 174.702 174.900 -0.125 0.000 0.989 763 G CA 0.202 45.261 45.100 -0.068 0.000 0.682 763 G HN 0.542 nan 8.290 nan 0.000 0.522 764 F N -1.392 118.732 119.950 0.289 0.000 2.588 764 F HA 0.622 5.162 4.527 0.023 0.000 0.314 764 F C 0.386 176.217 175.800 0.052 0.000 1.069 764 F CA -1.465 56.661 58.000 0.209 0.000 0.931 764 F CB 1.591 40.660 39.000 0.115 0.000 1.260 764 F HN 0.038 nan 8.300 nan 0.000 0.465 765 L N 2.246 123.536 121.223 0.112 0.000 2.638 765 L HA 0.139 4.493 4.340 0.023 0.000 0.273 765 L C 0.844 177.621 176.870 -0.155 0.000 1.147 765 L CA 0.602 55.166 54.840 -0.459 0.000 0.941 765 L CB 0.246 41.933 42.059 -0.620 0.000 1.251 765 L HN 0.695 nan 8.230 nan 0.000 0.479 766 S N 2.260 117.874 115.700 -0.143 0.000 2.503 766 S HA 0.265 4.749 4.470 0.023 0.000 0.215 766 S C 0.555 175.032 174.600 -0.205 0.000 1.003 766 S CA -0.221 57.925 58.200 -0.091 0.000 0.910 766 S CB 0.119 63.318 63.200 -0.003 0.000 0.790 766 S HN 0.657 nan 8.310 nan 0.000 0.514 767 Q N 0.293 119.904 119.800 -0.315 0.000 2.391 767 Q HA 0.606 4.959 4.340 0.023 0.000 0.279 767 Q C -1.837 173.754 176.000 -0.681 0.000 1.028 767 Q CA -0.372 55.075 55.803 -0.593 0.000 0.836 767 Q CB 1.902 30.105 28.738 -0.891 0.000 1.414 767 Q HN 0.287 nan 8.270 nan 0.000 0.397 768 M N 3.091 122.196 119.600 -0.825 0.000 2.326 768 M HA 0.497 4.990 4.480 0.023 0.000 0.292 768 M C -1.937 173.993 176.300 -0.616 0.000 1.081 768 M CA -0.076 54.833 55.300 -0.650 0.000 0.919 768 M CB 1.439 33.634 32.600 -0.676 0.000 1.634 768 M HN 0.740 nan 8.290 nan 0.000 0.451 769 W N 5.316 126.382 121.300 -0.391 0.000 2.689 769 W HA 0.548 5.221 4.660 0.023 0.000 0.340 769 W C -0.912 175.419 176.519 -0.313 0.000 1.060 769 W CA -0.755 56.426 57.345 -0.273 0.000 1.218 769 W CB 1.708 31.055 29.460 -0.188 0.000 1.410 769 W HN 0.510 nan 8.180 nan 0.000 0.528 770 I N 2.968 123.542 120.570 0.007 0.000 2.371 770 I HA 0.352 4.536 4.170 0.023 0.000 0.282 770 I C 0.825 176.941 176.117 -0.002 0.000 1.031 770 I CA 0.461 61.725 61.300 -0.060 0.000 1.180 770 I CB 0.642 38.585 38.000 -0.094 0.000 1.336 770 I HN 0.740 nan 8.210 nan 0.000 0.467 771 G N 5.749 114.541 108.800 -0.013 0.000 2.527 771 G HA2 -0.322 3.651 3.960 0.023 0.000 0.268 771 G HA3 -0.322 3.651 3.960 0.023 0.000 0.268 771 G C 0.342 175.261 174.900 0.032 0.000 1.175 771 G CA 0.429 45.524 45.100 -0.009 0.000 0.962 771 G HN 0.753 nan 8.290 nan 0.000 0.560 772 D N 0.694 121.118 120.400 0.041 0.000 2.340 772 D HA 0.224 4.877 4.640 0.023 0.000 0.217 772 D C 0.439 176.888 176.300 0.248 0.000 1.081 772 D CA 0.221 54.277 54.000 0.093 0.000 0.842 772 D CB 0.199 41.018 40.800 0.031 0.000 0.934 772 D HN 0.283 nan 8.370 nan 0.000 0.511 773 K N 1.274 121.774 120.400 0.167 0.000 2.276 773 K HA 0.276 4.610 4.320 0.023 0.000 0.285 773 K C 0.228 176.827 176.600 -0.003 0.000 1.062 773 K CA -0.387 55.952 56.287 0.087 0.000 0.918 773 K CB 1.288 33.793 32.500 0.009 0.000 1.055 773 K HN 0.072 nan 8.250 nan 0.000 0.477 774 K N 2.105 122.417 120.400 -0.147 0.000 2.326 774 K HA 0.048 4.381 4.320 0.023 0.000 0.275 774 K C 1.070 177.489 176.600 -0.302 0.000 1.018 774 K CA -0.112 55.874 56.287 -0.502 0.000 0.962 774 K CB 0.668 32.902 32.500 -0.443 0.000 0.953 774 K HN 0.322 nan 8.250 nan 0.000 0.475 775 Q N 1.362 120.956 119.800 -0.343 0.000 2.350 775 Q HA 0.193 4.547 4.340 0.023 0.000 0.225 775 Q C 0.112 176.038 176.000 -0.123 0.000 0.878 775 Q CA 0.408 56.131 55.803 -0.133 0.000 0.935 775 Q CB 0.550 29.256 28.738 -0.054 0.000 1.099 775 Q HN 0.507 nan 8.270 nan 0.000 0.527 776 L N 0.545 121.626 121.223 -0.236 0.000 2.330 776 L HA 0.378 4.732 4.340 0.023 0.000 0.271 776 L C 0.964 177.705 176.870 -0.216 0.000 1.013 776 L CA -0.359 54.360 54.840 -0.203 0.000 0.816 776 L CB 1.541 43.463 42.059 -0.228 0.000 1.287 776 L HN -0.038 nan 8.230 nan 0.000 0.435 777 L N 0.152 121.240 121.223 -0.226 0.000 2.537 777 L HA 0.241 4.595 4.340 0.023 0.000 0.224 777 L C 0.097 176.852 176.870 -0.192 0.000 1.065 777 L CA 0.595 55.306 54.840 -0.214 0.000 0.860 777 L CB 0.804 42.710 42.059 -0.255 0.000 1.086 777 L HN 0.600 nan 8.230 nan 0.000 0.482 778 T N -0.250 114.172 114.554 -0.221 0.000 2.909 778 T HA 0.408 4.772 4.350 0.023 0.000 0.299 778 T C -2.603 172.029 174.700 -0.114 0.000 1.073 778 T CA -1.099 60.922 62.100 -0.132 0.000 0.999 778 T CB 2.552 71.344 68.868 -0.127 0.000 1.098 778 T HN -0.283 nan 8.240 nan 0.000 0.477 779 P HA 0.215 nan 4.420 nan 0.000 0.271 779 P C -0.727 176.518 177.300 -0.091 0.000 1.233 779 P CA -0.716 62.340 63.100 -0.072 0.000 0.789 779 P CB 0.415 32.102 31.700 -0.022 0.000 0.951 780 L N 3.005 124.202 121.223 -0.043 0.000 2.325 780 L HA 0.252 4.606 4.340 0.023 0.000 0.284 780 L C 0.085 176.843 176.870 -0.185 0.000 1.089 780 L CA 0.629 55.473 54.840 0.007 0.000 0.836 780 L CB -0.682 41.500 42.059 0.205 0.000 1.184 780 L HN 0.261 nan 8.230 nan 0.000 0.444 781 R N 2.922 123.236 120.500 -0.310 0.000 2.795 781 R HA 0.427 4.780 4.340 0.023 0.000 0.275 781 R C -0.976 175.159 176.300 -0.274 0.000 0.981 781 R CA -1.059 54.668 56.100 -0.621 0.000 0.917 781 R CB 1.431 31.293 30.300 -0.730 0.000 1.202 781 R HN 0.552 nan 8.270 nan 0.000 0.469 782 D N 1.404 121.715 120.400 -0.150 0.000 2.400 782 D HA 0.021 4.675 4.640 0.023 0.000 0.238 782 D C -0.321 175.639 176.300 -0.568 0.000 1.157 782 D CA 0.438 54.249 54.000 -0.315 0.000 0.889 782 D CB 0.646 41.236 40.800 -0.350 0.000 1.199 782 D HN 0.231 nan 8.370 nan 0.000 0.436 783 Q N 0.977 120.253 119.800 -0.872 0.000 2.289 783 Q HA 0.342 4.695 4.340 0.023 0.000 0.270 783 Q C -1.312 174.010 176.000 -1.130 0.000 1.038 783 Q CA -0.594 54.739 55.803 -0.783 0.000 0.812 783 Q CB 0.800 29.276 28.738 -0.437 0.000 1.300 783 Q HN 0.542 nan 8.270 nan 0.000 0.427 784 F N 0.844 120.418 119.950 -0.628 0.000 2.729 784 F HA 0.216 4.756 4.527 0.023 0.000 0.315 784 F C 0.520 175.874 175.800 -0.744 0.000 1.102 784 F CA -0.150 57.350 58.000 -0.833 0.000 1.204 784 F CB 1.566 39.709 39.000 -1.428 0.000 1.052 784 F HN 0.473 nan 8.300 nan 0.000 0.551 785 T N -0.953 113.296 114.554 -0.509 0.000 2.887 785 T HA 0.771 5.135 4.350 0.023 0.000 0.292 785 T C -0.652 173.787 174.700 -0.434 0.000 1.087 785 T CA -1.025 60.696 62.100 -0.633 0.000 1.009 785 T CB 2.829 71.236 68.868 -0.768 0.000 1.203 785 T HN 0.235 nan 8.240 nan 0.000 0.518 786 R N -0.185 120.095 120.500 -0.367 0.000 2.808 786 R HA 0.781 5.134 4.340 0.023 0.000 0.272 786 R C -0.734 175.608 176.300 0.070 0.000 0.995 786 R CA -1.220 54.802 56.100 -0.130 0.000 0.917 786 R CB 1.516 31.751 30.300 -0.107 0.000 1.217 786 R HN 0.843 nan 8.270 nan 0.000 0.471 787 A N 3.477 126.329 122.820 0.052 0.000 2.505 787 A HA 0.249 4.583 4.320 0.023 0.000 0.271 787 A C -1.943 175.705 177.584 0.108 0.000 1.112 787 A CA -1.148 50.923 52.037 0.057 0.000 0.781 787 A CB -0.579 18.401 19.000 -0.034 0.000 1.059 787 A HN 0.556 nan 8.150 nan 0.000 0.508 788 P HA 0.072 nan 4.420 nan 0.000 0.264 788 P C -0.112 177.302 177.300 0.191 0.000 1.183 788 P CA 0.370 63.630 63.100 0.267 0.000 0.763 788 P CB 0.426 32.324 31.700 0.329 0.000 0.807 789 L N 2.360 123.665 121.223 0.136 0.000 2.475 789 L HA 0.140 4.494 4.340 0.023 0.000 0.253 789 L C 1.866 178.770 176.870 0.057 0.000 1.198 789 L CA -0.398 54.461 54.840 0.032 0.000 0.814 789 L CB -0.076 41.935 42.059 -0.081 0.000 1.134 789 L HN 0.316 nan 8.230 nan 0.000 0.478 790 D N 0.325 120.700 120.400 -0.042 0.000 2.149 790 D HA -0.158 4.495 4.640 0.023 0.000 0.198 790 D C 1.609 177.850 176.300 -0.098 0.000 0.990 790 D CA 1.367 55.271 54.000 -0.160 0.000 0.839 790 D CB 0.069 40.695 40.800 -0.290 0.000 0.948 790 D HN 0.468 nan 8.370 nan 0.000 0.460 791 N N 0.966 119.622 118.700 -0.073 0.000 2.331 791 N HA -0.098 4.656 4.740 0.023 0.000 0.180 791 N C 1.171 176.703 175.510 0.036 0.000 1.019 791 N CA 0.664 53.697 53.050 -0.029 0.000 0.881 791 N CB -0.128 38.328 38.487 -0.053 0.000 0.972 791 N HN 0.265 nan 8.380 nan 0.000 0.435 792 D N 0.625 121.063 120.400 0.064 0.000 2.183 792 D HA 0.020 4.673 4.640 0.023 0.000 0.203 792 D C 2.020 178.375 176.300 0.092 0.000 0.969 792 D CA 0.409 54.479 54.000 0.117 0.000 0.842 792 D CB 0.157 41.104 40.800 0.246 0.000 0.957 792 D HN 0.321 nan 8.370 nan 0.000 0.484 793 I N 0.422 121.040 120.570 0.079 0.000 2.277 793 I HA 0.013 4.197 4.170 0.023 0.000 0.243 793 I C 1.854 178.011 176.117 0.066 0.000 1.094 793 I CA 0.761 62.098 61.300 0.061 0.000 1.393 793 I CB -0.459 37.556 38.000 0.024 0.000 1.078 793 I HN 0.072 nan 8.210 nan 0.000 0.417 794 G N 1.271 110.128 108.800 0.096 0.000 2.550 794 G HA2 -0.339 3.635 3.960 0.023 0.000 0.277 794 G HA3 -0.339 3.635 3.960 0.023 0.000 0.277 794 G C 0.638 175.694 174.900 0.260 0.000 1.190 794 G CA 0.819 46.025 45.100 0.176 0.000 0.971 794 G HN 0.527 nan 8.290 nan 0.000 0.559 795 V N -2.052 117.942 119.914 0.133 0.000 3.621 795 V HA 0.607 4.741 4.120 0.023 0.000 0.285 795 V C 1.401 177.493 176.094 -0.003 0.000 1.346 795 V CA 1.316 63.632 62.300 0.026 0.000 1.104 795 V CB 0.108 31.846 31.823 -0.141 0.000 0.913 795 V HN 1.556 nan 8.190 nan 0.000 0.432 796 S N 1.244 116.951 115.700 0.012 0.000 2.573 796 S HA 0.122 4.606 4.470 0.023 0.000 0.297 796 S C -0.097 174.505 174.600 0.004 0.000 1.280 796 S CA 0.426 58.623 58.200 -0.004 0.000 1.061 796 S CB 0.116 63.316 63.200 0.001 0.000 0.812 796 S HN 0.848 nan 8.310 nan 0.000 0.500 797 E N 1.891 122.087 120.200 -0.006 0.000 2.340 797 E HA 0.632 4.996 4.350 0.023 0.000 0.273 797 E C 0.445 177.049 176.600 0.007 0.000 0.891 797 E CA -0.223 56.179 56.400 0.004 0.000 0.757 797 E CB 1.430 31.124 29.700 -0.010 0.000 1.231 797 E HN 0.593 nan 8.360 nan 0.000 0.439 798 A N 1.842 124.674 122.820 0.019 0.000 1.940 798 A HA -0.209 4.125 4.320 0.023 0.000 0.219 798 A C 2.043 179.633 177.584 0.011 0.000 1.176 798 A CA 2.463 54.511 52.037 0.018 0.000 0.631 798 A CB -1.014 18.002 19.000 0.026 0.000 0.814 798 A HN 0.713 nan 8.150 nan 0.000 0.446 799 T N -2.673 111.887 114.554 0.009 0.000 2.915 799 T HA -0.071 4.293 4.350 0.023 0.000 0.269 799 T C 0.988 175.682 174.700 -0.010 0.000 1.071 799 T CA 1.302 63.403 62.100 0.001 0.000 1.132 799 T CB -0.125 68.743 68.868 0.001 0.000 0.878 799 T HN 0.435 nan 8.240 nan 0.000 0.479 800 R N 0.852 121.343 120.500 -0.016 0.000 2.985 800 R HA 0.289 4.643 4.340 0.023 0.000 0.259 800 R C -1.107 175.176 176.300 -0.029 0.000 1.815 800 R CA -0.725 55.359 56.100 -0.028 0.000 1.278 800 R CB 0.224 30.498 30.300 -0.043 0.000 1.403 800 R HN 0.190 nan 8.270 nan 0.000 0.534 801 I N 2.268 122.825 120.570 -0.021 0.000 2.880 801 I HA -0.083 4.101 4.170 0.023 0.000 0.296 801 I C 0.550 176.646 176.117 -0.036 0.000 1.220 801 I CA 0.672 61.959 61.300 -0.022 0.000 1.435 801 I CB 0.353 38.343 38.000 -0.016 0.000 1.339 801 I HN 0.544 nan 8.210 nan 0.000 0.583 802 D N 8.781 129.157 120.400 -0.040 0.000 2.472 802 D HA 0.298 4.951 4.640 0.023 0.000 0.234 802 D C -1.778 174.480 176.300 -0.071 0.000 1.088 802 D CA -2.232 51.735 54.000 -0.054 0.000 0.882 802 D CB 1.485 42.256 40.800 -0.049 0.000 1.037 802 D HN 0.143 nan 8.370 nan 0.000 0.520 803 P HA -0.141 nan 4.420 nan 0.000 0.220 803 P C 0.931 178.143 177.300 -0.147 0.000 1.144 803 P CA 0.863 63.907 63.100 -0.094 0.000 0.800 803 P CB 0.168 31.820 31.700 -0.080 0.000 0.772 804 N N -0.590 118.015 118.700 -0.158 0.000 2.392 804 N HA 0.024 4.778 4.740 0.023 0.000 0.177 804 N C 0.438 175.767 175.510 -0.301 0.000 1.066 804 N CA -0.099 52.813 53.050 -0.230 0.000 0.895 804 N CB 0.024 38.406 38.487 -0.175 0.000 0.988 804 N HN -0.048 nan 8.380 nan 0.000 0.457 805 A N 0.519 123.212 122.820 -0.210 0.000 2.520 805 A HA -0.024 4.309 4.320 0.023 0.000 0.235 805 A C 0.608 177.999 177.584 -0.321 0.000 1.065 805 A CA -0.265 51.649 52.037 -0.204 0.000 0.764 805 A CB -0.204 18.748 19.000 -0.080 0.000 1.002 805 A HN 0.493 nan 8.150 nan 0.000 0.502 806 W N 1.480 122.546 121.300 -0.391 0.000 2.321 806 W HA -0.178 4.495 4.660 0.022 0.000 0.306 806 W C 2.218 178.171 176.519 -0.944 0.000 1.217 806 W CA 1.712 58.570 57.345 -0.811 0.000 1.257 806 W CB -0.323 28.567 29.460 -0.951 0.000 1.145 806 W HN 0.555 nan 8.180 nan 0.000 0.509 807 V N 0.817 120.615 119.914 -0.193 0.000 2.407 807 V HA -0.246 3.888 4.120 0.023 0.000 0.248 807 V C 2.118 178.283 176.094 0.118 0.000 1.055 807 V CA 2.049 64.431 62.300 0.136 0.000 1.049 807 V CB -0.334 31.607 31.823 0.197 0.000 0.662 807 V HN 0.084 nan 8.190 nan 0.000 0.455 808 E N -0.094 120.089 120.200 -0.030 0.000 2.150 808 E HA -0.182 4.182 4.350 0.023 0.000 0.193 808 E C 2.327 178.888 176.600 -0.066 0.000 0.985 808 E CA 1.003 57.386 56.400 -0.028 0.000 0.814 808 E CB -0.281 29.383 29.700 -0.060 0.000 0.752 808 E HN 0.602 nan 8.360 nan 0.000 0.466 809 R N -0.135 120.244 120.500 -0.202 0.000 2.075 809 R HA -0.103 4.251 4.340 0.023 0.000 0.232 809 R C 2.303 178.521 176.300 -0.138 0.000 1.126 809 R CA 1.283 57.234 56.100 -0.248 0.000 0.963 809 R CB -0.145 29.872 30.300 -0.472 0.000 0.858 809 R HN 0.246 nan 8.270 nan 0.000 0.435 810 W N 1.413 122.681 121.300 -0.053 0.000 2.358 810 W HA -0.082 4.592 4.660 0.023 0.000 0.303 810 W C 1.929 178.431 176.519 -0.028 0.000 1.208 810 W CA 0.720 57.938 57.345 -0.211 0.000 1.274 810 W CB -0.673 28.792 29.460 0.009 0.000 1.138 810 W HN 0.107 nan 8.180 nan 0.000 0.515 811 K N 0.374 121.013 120.400 0.399 0.000 1.991 811 K HA -0.144 4.190 4.320 0.023 0.000 0.212 811 K C 2.266 178.938 176.600 0.120 0.000 1.049 811 K CA 2.194 58.667 56.287 0.310 0.000 0.932 811 K CB -0.750 31.867 32.500 0.196 0.000 0.717 811 K HN -0.020 nan 8.250 nan 0.000 0.441 812 A N 0.816 123.672 122.820 0.059 0.000 2.070 812 A HA -0.081 4.253 4.320 0.023 0.000 0.220 812 A C 2.109 179.685 177.584 -0.014 0.000 1.159 812 A CA 1.762 53.814 52.037 0.024 0.000 0.656 812 A CB -0.530 18.470 19.000 0.001 0.000 0.800 812 A HN 0.367 nan 8.150 nan 0.000 0.453 813 A N -2.094 120.690 122.820 -0.060 0.000 2.218 813 A HA 0.422 4.755 4.320 0.023 0.000 0.209 813 A C 1.810 179.250 177.584 -0.239 0.000 1.168 813 A CA 1.169 53.163 52.037 -0.071 0.000 0.804 813 A CB -0.673 18.276 19.000 -0.085 0.000 0.834 813 A HN 1.808 nan 8.150 nan 0.000 0.482 814 G N -1.395 107.162 108.800 -0.406 0.000 2.157 814 G HA2 -0.314 3.660 3.960 0.023 0.000 0.248 814 G HA3 -0.314 3.660 3.960 0.023 0.000 0.248 814 G C 0.662 175.534 174.900 -0.047 0.000 0.979 814 G CA 0.678 45.292 45.100 -0.809 0.000 0.650 814 G HN 0.725 nan 8.290 nan 0.000 0.529 815 H N -1.286 117.757 119.070 -0.045 0.000 2.353 815 H HA -0.152 4.417 4.556 0.023 0.000 0.298 815 H C 2.122 177.418 175.328 -0.052 0.000 1.103 815 H CA 1.766 57.807 56.048 -0.011 0.000 1.293 815 H CB 0.033 29.725 29.762 -0.117 0.000 1.372 815 H HN 0.617 nan 8.280 nan 0.000 0.501 816 Y N -0.154 120.281 120.300 0.225 0.000 2.523 816 Y HA -0.046 4.517 4.550 0.023 0.000 0.279 816 Y C 2.020 178.015 175.900 0.160 0.000 1.139 816 Y CA 0.071 58.265 58.100 0.157 0.000 1.296 816 Y CB 0.566 39.102 38.460 0.128 0.000 1.045 816 Y HN 0.127 nan 8.280 nan 0.000 0.538 817 Q N -0.156 119.826 119.800 0.303 0.000 2.350 817 Q HA 0.308 4.662 4.340 0.023 0.000 0.225 817 Q C 0.762 176.957 176.000 0.325 0.000 0.878 817 Q CA 0.162 56.140 55.803 0.292 0.000 0.935 817 Q CB 0.146 29.065 28.738 0.301 0.000 1.099 817 Q HN 0.259 nan 8.270 nan 0.000 0.527 818 A N 2.861 125.893 122.820 0.353 0.000 2.540 818 A HA 0.149 4.483 4.320 0.023 0.000 0.239 818 A C 0.153 178.058 177.584 0.535 0.000 1.061 818 A CA 0.249 52.559 52.037 0.454 0.000 0.758 818 A CB 0.060 19.360 19.000 0.499 0.000 0.991 818 A HN 0.142 nan 8.150 nan 0.000 0.502 819 E N 1.769 122.198 120.200 0.381 0.000 2.248 819 E HA 0.565 4.929 4.350 0.023 0.000 0.267 819 E C -0.537 175.966 176.600 -0.162 0.000 0.877 819 E CA -0.803 55.714 56.400 0.195 0.000 0.759 819 E CB 1.667 31.456 29.700 0.148 0.000 1.182 819 E HN 0.729 nan 8.360 nan 0.000 0.418 820 A N 2.190 124.798 122.820 -0.353 0.000 2.537 820 A HA 0.391 4.725 4.320 0.023 0.000 0.260 820 A C 0.122 177.562 177.584 -0.240 0.000 1.082 820 A CA 0.351 51.997 52.037 -0.652 0.000 0.765 820 A CB -0.355 18.508 19.000 -0.229 0.000 1.019 820 A HN 0.645 nan 8.150 nan 0.000 0.507 821 A N 3.173 125.840 122.820 -0.256 0.000 2.304 821 A HA 0.601 4.935 4.320 0.023 0.000 0.323 821 A C -0.278 177.239 177.584 -0.111 0.000 1.195 821 A CA -0.597 51.376 52.037 -0.107 0.000 0.826 821 A CB 0.579 19.532 19.000 -0.078 0.000 1.184 821 A HN 1.340 nan 8.150 nan 0.000 0.496 822 L N 2.689 123.840 121.223 -0.119 0.000 2.397 822 L HA 0.421 4.775 4.340 0.023 0.000 0.271 822 L C 0.325 177.063 176.870 -0.219 0.000 1.148 822 L CA 0.273 54.933 54.840 -0.301 0.000 0.825 822 L CB 0.554 42.441 42.059 -0.287 0.000 1.117 822 L HN 0.759 nan 8.230 nan 0.000 0.456 823 L N 2.735 123.806 121.223 -0.254 0.000 2.577 823 L HA 0.364 4.718 4.340 0.023 0.000 0.225 823 L C 0.114 176.913 176.870 -0.118 0.000 1.053 823 L CA -0.032 54.730 54.840 -0.131 0.000 0.866 823 L CB 0.092 42.108 42.059 -0.072 0.000 1.132 823 L HN 0.774 nan 8.230 nan 0.000 0.486 824 Q N -0.323 119.375 119.800 -0.171 0.000 2.438 824 Q HA 0.369 4.723 4.340 0.023 0.000 0.272 824 Q C -1.924 174.019 176.000 -0.094 0.000 0.994 824 Q CA -0.648 55.097 55.803 -0.096 0.000 0.887 824 Q CB 2.801 31.509 28.738 -0.051 0.000 1.432 824 Q HN 0.030 nan 8.270 nan 0.000 0.392 825 C N 3.567 122.860 119.300 -0.012 0.000 2.781 825 C HA 0.756 5.229 4.460 0.023 0.000 0.348 825 C C -0.614 174.496 174.990 0.200 0.000 1.051 825 C CA 0.562 59.625 59.018 0.075 0.000 1.347 825 C CB 0.331 28.122 27.740 0.085 0.000 1.846 825 C HN 0.843 nan 8.230 nan 0.000 0.473 826 T N 2.161 116.756 114.554 0.069 0.000 2.940 826 T HA 0.922 5.286 4.350 0.023 0.000 0.288 826 T C -0.405 174.021 174.700 -0.456 0.000 1.045 826 T CA -0.376 61.687 62.100 -0.061 0.000 1.018 826 T CB 2.003 70.826 68.868 -0.075 0.000 1.151 826 T HN 1.589 nan 8.240 nan 0.000 0.529 827 A N 1.105 123.487 122.820 -0.729 0.000 2.398 827 A HA 0.723 5.056 4.320 0.023 0.000 0.301 827 A C -1.372 175.938 177.584 -0.456 0.000 1.041 827 A CA -0.718 50.811 52.037 -0.847 0.000 0.711 827 A CB 1.359 19.493 19.000 -1.442 0.000 1.240 827 A HN 0.844 nan 8.150 nan 0.000 0.420 828 D N 1.033 121.234 120.400 -0.331 0.000 2.645 828 D HA 0.592 5.246 4.640 0.023 0.000 0.228 828 D C -0.866 175.321 176.300 -0.187 0.000 1.148 828 D CA 0.071 53.943 54.000 -0.213 0.000 0.860 828 D CB 2.488 43.194 40.800 -0.156 0.000 1.548 828 D HN 0.563 nan 8.370 nan 0.000 0.460 829 T N 0.239 114.708 114.554 -0.143 0.000 2.794 829 T HA 0.683 5.047 4.350 0.023 0.000 0.280 829 T C 0.509 175.157 174.700 -0.086 0.000 0.987 829 T CA -0.698 61.330 62.100 -0.120 0.000 0.993 829 T CB 1.149 69.948 68.868 -0.116 0.000 0.939 829 T HN 0.164 nan 8.240 nan 0.000 0.449 830 L N 1.365 122.543 121.223 -0.076 0.000 2.299 830 L HA 0.690 5.044 4.340 0.023 0.000 0.268 830 L C 2.043 178.889 176.870 -0.041 0.000 1.012 830 L CA -1.570 53.238 54.840 -0.054 0.000 0.816 830 L CB 0.393 42.421 42.059 -0.052 0.000 1.355 830 L HN 0.728 nan 8.230 nan 0.000 0.457 831 A N 0.628 123.431 122.820 -0.028 0.000 1.892 831 A HA -0.200 4.134 4.320 0.023 0.000 0.218 831 A C 1.162 178.738 177.584 -0.013 0.000 1.188 831 A CA 2.317 54.343 52.037 -0.017 0.000 0.631 831 A CB -0.565 18.428 19.000 -0.010 0.000 0.822 831 A HN 0.927 nan 8.150 nan 0.000 0.447 832 D N -2.649 117.740 120.400 -0.017 0.000 2.563 832 D HA 0.553 5.207 4.640 0.023 0.000 0.237 832 D C 0.007 176.292 176.300 -0.026 0.000 1.282 832 D CA 0.661 54.654 54.000 -0.012 0.000 0.816 832 D CB -0.208 40.588 40.800 -0.007 0.000 1.066 832 D HN 0.499 nan 8.370 nan 0.000 0.501 833 A N -0.444 122.350 122.820 -0.044 0.000 2.602 833 A HA 0.660 4.994 4.320 0.023 0.000 0.290 833 A C -1.663 175.864 177.584 -0.095 0.000 1.114 833 A CA -0.700 51.295 52.037 -0.069 0.000 0.683 833 A CB 1.861 20.822 19.000 -0.065 0.000 1.281 833 A HN -0.002 nan 8.150 nan 0.000 0.416 834 V N 0.835 120.671 119.914 -0.129 0.000 2.495 834 V HA 0.565 4.699 4.120 0.023 0.000 0.298 834 V C -1.079 174.904 176.094 -0.185 0.000 1.031 834 V CA -0.448 61.753 62.300 -0.165 0.000 0.871 834 V CB 1.401 33.119 31.823 -0.174 0.000 0.988 834 V HN 0.811 nan 8.190 nan 0.000 0.432 835 L N 6.758 127.864 121.223 -0.195 0.000 2.305 835 L HA 0.630 4.984 4.340 0.023 0.000 0.284 835 L C -0.678 176.033 176.870 -0.265 0.000 1.013 835 L CA 0.061 54.791 54.840 -0.184 0.000 0.819 835 L CB 1.168 43.143 42.059 -0.139 0.000 1.227 835 L HN 0.397 nan 8.230 nan 0.000 0.417 836 I N 4.140 124.542 120.570 -0.280 0.000 2.412 836 I HA 0.433 4.616 4.170 0.023 0.000 0.296 836 I C -0.086 175.962 176.117 -0.114 0.000 0.987 836 I CA -0.251 60.822 61.300 -0.378 0.000 1.180 836 I CB 1.620 39.119 38.000 -0.836 0.000 1.340 836 I HN 0.568 nan 8.210 nan 0.000 0.455 837 T N 4.394 118.891 114.554 -0.096 0.000 2.812 837 T HA 0.617 4.980 4.350 0.023 0.000 0.282 837 T C 0.033 174.760 174.700 0.045 0.000 0.990 837 T CA -0.595 61.505 62.100 0.001 0.000 0.960 837 T CB 1.820 70.669 68.868 -0.033 0.000 0.948 837 T HN 0.766 nan 8.240 nan 0.000 0.438 838 T N -0.489 114.134 114.554 0.116 0.000 2.903 838 T HA 0.868 5.232 4.350 0.023 0.000 0.299 838 T C -1.127 173.611 174.700 0.063 0.000 1.093 838 T CA -1.083 61.068 62.100 0.085 0.000 1.002 838 T CB 2.026 71.029 68.868 0.226 0.000 1.127 838 T HN 0.787 nan 8.240 nan 0.000 0.488 839 A N 1.790 124.552 122.820 -0.096 0.000 2.408 839 A HA 0.757 5.091 4.320 0.023 0.000 0.295 839 A C -1.413 176.025 177.584 -0.244 0.000 1.040 839 A CA -0.772 51.249 52.037 -0.026 0.000 0.707 839 A CB 0.825 19.825 19.000 0.001 0.000 1.235 839 A HN 0.997 nan 8.150 nan 0.000 0.418 840 H N 0.246 119.369 119.070 0.088 0.000 2.768 840 H HA 0.757 5.327 4.556 0.023 0.000 0.371 840 H C 0.051 175.418 175.328 0.065 0.000 1.151 840 H CA 0.297 56.328 56.048 -0.028 0.000 1.165 840 H CB 2.126 31.808 29.762 -0.133 0.000 1.722 840 H HN 0.977 nan 8.280 nan 0.000 0.543 841 A N 2.134 124.974 122.820 0.033 0.000 2.340 841 A HA 0.523 4.856 4.320 0.023 0.000 0.331 841 A C -1.331 176.191 177.584 -0.103 0.000 1.140 841 A CA -0.681 51.430 52.037 0.122 0.000 0.801 841 A CB 1.190 20.245 19.000 0.092 0.000 1.234 841 A HN 0.620 nan 8.150 nan 0.000 0.469 842 W N 1.605 123.016 121.300 0.185 0.000 2.475 842 W HA 0.442 5.116 4.660 0.023 0.000 0.320 842 W C -0.620 175.917 176.519 0.030 0.000 1.022 842 W CA -0.139 57.309 57.345 0.171 0.000 1.240 842 W CB 1.855 31.465 29.460 0.250 0.000 1.328 842 W HN 0.826 nan 8.180 nan 0.000 0.439 843 Q N 1.543 121.479 119.800 0.228 0.000 2.528 843 Q HA 0.486 4.840 4.340 0.023 0.000 0.289 843 Q C -0.983 175.154 176.000 0.228 0.000 1.091 843 Q CA -0.922 54.975 55.803 0.157 0.000 0.797 843 Q CB 3.784 32.574 28.738 0.087 0.000 1.466 843 Q HN 0.379 nan 8.270 nan 0.000 0.436 844 H N 1.036 120.144 119.070 0.065 0.000 3.099 844 H HA 0.067 4.636 4.556 0.023 0.000 0.342 844 H C -1.186 174.176 175.328 0.056 0.000 1.054 844 H CA -0.208 55.888 56.048 0.079 0.000 1.328 844 H CB 1.434 31.257 29.762 0.102 0.000 1.876 844 H HN 0.699 nan 8.280 nan 0.000 0.495 845 Q N 3.011 122.583 119.800 -0.380 0.000 2.435 845 Q HA -0.187 4.167 4.340 0.023 0.000 0.312 845 Q C 1.064 177.014 176.000 -0.083 0.000 1.333 845 Q CA 1.927 57.570 55.803 -0.268 0.000 0.883 845 Q CB -1.649 26.892 28.738 -0.329 0.000 1.170 845 Q HN 1.216 nan 8.270 nan 0.000 0.443 846 G N -0.941 107.835 108.800 -0.041 0.000 2.189 846 G HA2 -0.412 3.561 3.960 0.023 0.000 0.267 846 G HA3 -0.412 3.561 3.960 0.023 0.000 0.267 846 G C 0.064 174.975 174.900 0.018 0.000 0.975 846 G CA 0.645 45.742 45.100 -0.005 0.000 0.644 846 G HN 0.608 nan 8.290 nan 0.000 0.537 847 K N 0.709 121.132 120.400 0.038 0.000 2.182 847 K HA 0.608 4.942 4.320 0.023 0.000 0.262 847 K C -0.196 176.426 176.600 0.038 0.000 0.957 847 K CA -0.369 55.943 56.287 0.041 0.000 0.842 847 K CB 1.010 33.541 32.500 0.053 0.000 1.099 847 K HN -0.032 nan 8.250 nan 0.000 0.438 848 T N 5.706 120.273 114.554 0.021 0.000 2.727 848 T HA 0.179 4.543 4.350 0.023 0.000 0.295 848 T C 1.126 175.784 174.700 -0.070 0.000 0.915 848 T CA -0.385 61.724 62.100 0.015 0.000 1.066 848 T CB 0.313 69.206 68.868 0.041 0.000 0.891 848 T HN 0.551 nan 8.240 nan 0.000 0.516 849 L N 2.471 123.568 121.223 -0.211 0.000 2.145 849 L HA 0.348 4.702 4.340 0.023 0.000 0.201 849 L C 0.062 176.438 176.870 -0.825 0.000 1.075 849 L CA 0.838 55.299 54.840 -0.632 0.000 0.773 849 L CB -0.025 41.313 42.059 -1.202 0.000 0.936 849 L HN 0.501 nan 8.230 nan 0.000 0.451 850 F N -0.827 119.084 119.950 -0.065 0.000 2.588 850 F HA 0.598 5.139 4.527 0.023 0.000 0.314 850 F C -0.415 175.502 175.800 0.194 0.000 1.069 850 F CA -0.831 57.053 58.000 -0.193 0.000 0.931 850 F CB 2.175 40.601 39.000 -0.956 0.000 1.260 850 F HN -0.305 nan 8.300 nan 0.000 0.465 851 I N 1.503 122.305 120.570 0.387 0.000 2.499 851 I HA 0.328 4.512 4.170 0.023 0.000 0.288 851 I C -0.856 175.534 176.117 0.456 0.000 1.048 851 I CA -0.508 61.050 61.300 0.431 0.000 1.062 851 I CB 2.191 40.347 38.000 0.260 0.000 1.238 851 I HN 0.536 nan 8.210 nan 0.000 0.426 852 S N 6.880 122.949 115.700 0.615 0.000 2.478 852 S HA 0.595 5.079 4.470 0.023 0.000 0.312 852 S C -0.703 174.134 174.600 0.395 0.000 1.094 852 S CA -0.686 57.832 58.200 0.529 0.000 1.081 852 S CB 0.860 64.495 63.200 0.724 0.000 1.007 852 S HN 0.540 nan 8.310 nan 0.000 0.475 853 R N 3.561 124.218 120.500 0.260 0.000 2.480 853 R HA 0.557 4.910 4.340 0.023 0.000 0.306 853 R C -0.891 175.475 176.300 0.110 0.000 0.958 853 R CA -0.800 55.406 56.100 0.177 0.000 0.861 853 R CB 1.952 32.330 30.300 0.131 0.000 1.171 853 R HN 0.618 nan 8.270 nan 0.000 0.445 854 K N 0.721 121.175 120.400 0.091 0.000 2.509 854 K HA 0.492 4.826 4.320 0.023 0.000 0.266 854 K C -0.712 175.855 176.600 -0.055 0.000 0.987 854 K CA -0.962 55.298 56.287 -0.046 0.000 0.868 854 K CB 2.427 34.841 32.500 -0.144 0.000 1.421 854 K HN 0.627 nan 8.250 nan 0.000 0.444 855 T N -1.590 112.852 114.554 -0.186 0.000 2.900 855 T HA 0.581 4.944 4.350 0.023 0.000 0.295 855 T C -1.270 173.265 174.700 -0.274 0.000 1.044 855 T CA -0.772 61.257 62.100 -0.117 0.000 0.995 855 T CB 0.597 69.430 68.868 -0.058 0.000 1.072 855 T HN 0.453 nan 8.240 nan 0.000 0.473 856 Y N 0.409 120.665 120.300 -0.072 0.000 2.329 856 Y HA 0.585 5.149 4.550 0.023 0.000 0.328 856 Y C 0.326 176.144 175.900 -0.136 0.000 0.992 856 Y CA -1.035 57.032 58.100 -0.055 0.000 1.151 856 Y CB 1.904 40.337 38.460 -0.044 0.000 1.150 856 Y HN 0.653 nan 8.280 nan 0.000 0.450 857 R N 4.623 125.137 120.500 0.022 0.000 2.288 857 R HA 0.613 4.966 4.340 0.023 0.000 0.326 857 R C -1.420 174.826 176.300 -0.090 0.000 0.959 857 R CA -0.306 55.765 56.100 -0.049 0.000 0.834 857 R CB 0.489 30.770 30.300 -0.031 0.000 1.157 857 R HN 0.737 nan 8.270 nan 0.000 0.470 858 I N 5.101 125.561 120.570 -0.183 0.000 2.321 858 I HA 0.216 4.400 4.170 0.023 0.000 0.291 858 I C -0.210 175.789 176.117 -0.197 0.000 0.998 858 I CA -0.726 60.390 61.300 -0.306 0.000 1.227 858 I CB 1.404 39.019 38.000 -0.641 0.000 1.368 858 I HN 0.694 nan 8.210 nan 0.000 0.466 859 D N 4.274 124.597 120.400 -0.130 0.000 2.621 859 D HA 0.259 4.912 4.640 0.023 0.000 0.255 859 D C 1.234 177.519 176.300 -0.026 0.000 1.122 859 D CA -0.678 53.283 54.000 -0.066 0.000 1.096 859 D CB 0.766 41.546 40.800 -0.034 0.000 1.282 859 D HN 0.488 nan 8.370 nan 0.000 0.619 860 G N -0.648 108.148 108.800 -0.006 0.000 2.550 860 G HA2 -0.304 3.669 3.960 0.023 0.000 0.222 860 G HA3 -0.304 3.669 3.960 0.023 0.000 0.222 860 G C 1.248 176.160 174.900 0.020 0.000 1.113 860 G CA 1.687 46.796 45.100 0.016 0.000 0.748 860 G HN 0.636 nan 8.290 nan 0.000 0.585 861 S N -0.752 114.953 115.700 0.008 0.000 2.593 861 S HA 0.376 4.860 4.470 0.023 0.000 0.217 861 S C 1.842 176.481 174.600 0.066 0.000 0.966 861 S CA 0.887 59.093 58.200 0.010 0.000 0.914 861 S CB -0.022 63.177 63.200 -0.001 0.000 0.776 861 S HN 1.625 nan 8.310 nan 0.000 0.523 862 G N 0.312 109.173 108.800 0.100 0.000 2.148 862 G HA2 -0.280 3.694 3.960 0.023 0.000 0.254 862 G HA3 -0.280 3.694 3.960 0.023 0.000 0.254 862 G C -0.167 174.865 174.900 0.220 0.000 0.981 862 G CA 0.262 45.496 45.100 0.224 0.000 0.670 862 G HN 0.625 nan 8.290 nan 0.000 0.528 863 Q N -0.467 119.399 119.800 0.111 0.000 2.243 863 Q HA 0.671 5.024 4.340 0.023 0.000 0.252 863 Q C 0.386 176.430 176.000 0.073 0.000 0.909 863 Q CA -0.393 55.486 55.803 0.125 0.000 0.922 863 Q CB 0.962 29.757 28.738 0.095 0.000 1.215 863 Q HN 0.427 nan 8.270 nan 0.000 0.427 864 M N 2.688 122.382 119.600 0.157 0.000 2.066 864 M HA 0.511 5.005 4.480 0.023 0.000 0.340 864 M C -1.302 175.104 176.300 0.177 0.000 1.053 864 M CA -0.509 54.852 55.300 0.102 0.000 0.983 864 M CB 0.765 33.451 32.600 0.143 0.000 1.520 864 M HN 0.683 nan 8.290 nan 0.000 0.428 865 A N 7.014 129.897 122.820 0.103 0.000 2.276 865 A HA 0.670 5.004 4.320 0.023 0.000 0.300 865 A C -0.753 176.869 177.584 0.064 0.000 1.235 865 A CA -0.553 51.542 52.037 0.098 0.000 0.867 865 A CB 0.072 19.108 19.000 0.059 0.000 1.137 865 A HN 0.920 nan 8.150 nan 0.000 0.527 866 I N 2.157 122.757 120.570 0.050 0.000 2.406 866 I HA 0.349 4.533 4.170 0.023 0.000 0.290 866 I C -0.059 175.961 176.117 -0.162 0.000 0.999 866 I CA -0.216 61.021 61.300 -0.105 0.000 1.124 866 I CB 2.277 40.239 38.000 -0.063 0.000 1.289 866 I HN 0.481 nan 8.210 nan 0.000 0.441 867 T N 5.672 120.083 114.554 -0.238 0.000 2.807 867 T HA 0.577 4.941 4.350 0.023 0.000 0.279 867 T C -0.418 174.079 174.700 -0.338 0.000 0.993 867 T CA -0.457 61.501 62.100 -0.237 0.000 0.970 867 T CB 1.771 70.592 68.868 -0.078 0.000 0.950 867 T HN 0.247 nan 8.240 nan 0.000 0.441 868 V N 3.594 123.190 119.914 -0.531 0.000 2.483 868 V HA 0.542 4.675 4.120 0.023 0.000 0.297 868 V C -0.736 175.176 176.094 -0.303 0.000 1.027 868 V CA -0.926 61.055 62.300 -0.533 0.000 0.855 868 V CB 1.926 33.171 31.823 -0.963 0.000 0.995 868 V HN 0.813 nan 8.190 nan 0.000 0.424 869 D N 3.116 123.506 120.400 -0.017 0.000 2.696 869 D HA 0.622 5.275 4.640 0.023 0.000 0.251 869 D C -1.074 175.347 176.300 0.201 0.000 1.188 869 D CA -0.101 53.990 54.000 0.152 0.000 0.876 869 D CB 2.854 43.766 40.800 0.185 0.000 1.334 869 D HN 0.306 nan 8.370 nan 0.000 0.540 870 V N 2.186 122.258 119.914 0.263 0.000 2.823 870 V HA 0.351 4.485 4.120 0.023 0.000 0.312 870 V C -0.194 176.044 176.094 0.239 0.000 1.072 870 V CA -0.728 61.742 62.300 0.283 0.000 0.937 870 V CB 2.636 34.670 31.823 0.353 0.000 1.013 870 V HN 0.365 nan 8.190 nan 0.000 0.430 871 E N 2.105 122.432 120.200 0.211 0.000 2.199 871 E HA 0.642 5.005 4.350 0.023 0.000 0.269 871 E C -1.602 175.105 176.600 0.178 0.000 0.899 871 E CA -0.634 55.867 56.400 0.169 0.000 0.772 871 E CB 2.628 32.413 29.700 0.142 0.000 1.155 871 E HN 0.388 nan 8.360 nan 0.000 0.408 872 V N 2.131 122.150 119.914 0.174 0.000 2.407 872 V HA 0.358 4.492 4.120 0.023 0.000 0.291 872 V C 0.154 176.329 176.094 0.135 0.000 1.018 872 V CA -0.943 61.473 62.300 0.194 0.000 0.842 872 V CB 1.312 33.283 31.823 0.247 0.000 0.996 872 V HN 0.844 nan 8.190 nan 0.000 0.426 873 A N 3.645 126.507 122.820 0.070 0.000 2.565 873 A HA 0.255 4.589 4.320 0.023 0.000 0.237 873 A C 1.646 179.298 177.584 0.113 0.000 1.053 873 A CA 0.667 52.740 52.037 0.060 0.000 0.755 873 A CB 0.248 19.251 19.000 0.006 0.000 0.980 873 A HN 1.359 nan 8.150 nan 0.000 0.506 874 S N 0.970 116.733 115.700 0.105 0.000 2.423 874 S HA -0.144 4.340 4.470 0.023 0.000 0.231 874 S C 0.891 175.578 174.600 0.145 0.000 1.014 874 S CA 1.254 59.537 58.200 0.138 0.000 0.965 874 S CB -0.280 62.980 63.200 0.100 0.000 0.785 874 S HN 0.822 nan 8.310 nan 0.000 0.495 875 D N 0.573 121.031 120.400 0.098 0.000 2.339 875 D HA 0.116 4.770 4.640 0.023 0.000 0.217 875 D C 0.643 176.989 176.300 0.075 0.000 1.050 875 D CA 0.105 54.148 54.000 0.071 0.000 0.856 875 D CB -0.447 40.378 40.800 0.043 0.000 0.922 875 D HN 0.351 nan 8.370 nan 0.000 0.518 876 T N 1.352 115.979 114.554 0.122 0.000 2.918 876 T HA 0.385 4.749 4.350 0.023 0.000 0.283 876 T C -2.597 172.228 174.700 0.207 0.000 1.001 876 T CA -1.930 60.263 62.100 0.155 0.000 1.041 876 T CB 1.277 70.240 68.868 0.159 0.000 1.028 876 T HN -0.162 nan 8.240 nan 0.000 0.511 877 P HA 0.106 nan 4.420 nan 0.000 0.269 877 P C -0.653 176.986 177.300 0.564 0.000 1.209 877 P CA 0.014 63.217 63.100 0.170 0.000 0.776 877 P CB -0.036 31.720 31.700 0.094 0.000 0.876 878 H N 3.138 122.581 119.070 0.621 0.000 3.070 878 H HA 0.074 4.644 4.556 0.023 0.000 0.313 878 H C -1.596 174.138 175.328 0.676 0.000 0.997 878 H CA -1.422 54.952 56.048 0.544 0.000 1.438 878 H CB -0.466 29.549 29.762 0.423 0.000 1.455 878 H HN 0.370 nan 8.280 nan 0.000 0.575 879 P HA 0.002 nan 4.420 nan 0.000 0.274 879 P C 0.157 177.355 177.300 -0.171 0.000 1.237 879 P CA -0.268 62.905 63.100 0.122 0.000 0.793 879 P CB 1.001 32.603 31.700 -0.162 0.000 0.977 880 A N 2.909 125.351 122.820 -0.631 0.000 1.968 880 A HA -0.058 4.276 4.320 0.023 0.000 0.217 880 A C 0.989 178.159 177.584 -0.690 0.000 1.169 880 A CA 1.238 52.866 52.037 -0.682 0.000 0.638 880 A CB -0.489 17.891 19.000 -1.033 0.000 0.812 880 A HN 0.738 nan 8.150 nan 0.000 0.446 881 R N -2.889 117.244 120.500 -0.611 0.000 2.741 881 R HA 0.740 5.093 4.340 0.023 0.000 0.274 881 R C -1.662 174.387 176.300 -0.418 0.000 1.029 881 R CA -0.828 54.936 56.100 -0.560 0.000 0.880 881 R CB 0.835 30.772 30.300 -0.606 0.000 1.264 881 R HN -0.005 nan 8.270 nan 0.000 0.465 882 I N 0.771 121.128 120.570 -0.355 0.000 2.560 882 I HA 0.599 4.783 4.170 0.023 0.000 0.278 882 I C -0.572 175.316 176.117 -0.380 0.000 1.089 882 I CA -0.406 60.715 61.300 -0.298 0.000 1.086 882 I CB 1.877 39.784 38.000 -0.155 0.000 1.202 882 I HN 0.949 nan 8.210 nan 0.000 0.471 883 G N 5.544 114.062 108.800 -0.470 0.000 2.782 883 G HA2 0.794 4.767 3.960 0.023 0.000 0.304 883 G HA3 0.794 4.767 3.960 0.023 0.000 0.304 883 G C -1.588 173.148 174.900 -0.273 0.000 1.315 883 G CA -0.610 44.268 45.100 -0.369 0.000 0.791 883 G HN 0.250 nan 8.290 nan 0.000 0.519 884 L N 0.790 121.909 121.223 -0.173 0.000 2.319 884 L HA 0.654 5.008 4.340 0.023 0.000 0.267 884 L C -0.556 176.206 176.870 -0.179 0.000 1.011 884 L CA -1.134 53.624 54.840 -0.136 0.000 0.818 884 L CB 2.320 44.367 42.059 -0.020 0.000 1.316 884 L HN 0.763 nan 8.230 nan 0.000 0.432 885 N N 0.664 119.281 118.700 -0.138 0.000 2.494 885 N HA 0.657 5.411 4.740 0.023 0.000 0.270 885 N C -1.372 174.129 175.510 -0.016 0.000 1.285 885 N CA -0.506 52.491 53.050 -0.089 0.000 0.812 885 N CB 2.442 40.886 38.487 -0.073 0.000 1.557 885 N HN 0.854 nan 8.380 nan 0.000 0.487 886 C N -0.602 118.713 119.300 0.026 0.000 3.307 886 C HA 0.573 5.046 4.460 0.023 0.000 0.333 886 C C -1.204 173.659 174.990 -0.211 0.000 1.291 886 C CA -0.817 58.185 59.018 -0.027 0.000 1.273 886 C CB 1.027 28.753 27.740 -0.022 0.000 1.580 886 C HN 0.849 nan 8.230 nan 0.000 0.481 887 Q N 1.725 121.182 119.800 -0.573 0.000 2.394 887 Q HA 0.626 4.980 4.340 0.023 0.000 0.259 887 Q C -0.953 174.731 176.000 -0.526 0.000 1.021 887 Q CA -0.448 54.717 55.803 -1.063 0.000 0.805 887 Q CB 0.842 28.520 28.738 -1.766 0.000 1.226 887 Q HN 0.796 nan 8.270 nan 0.000 0.476 888 L N 2.453 123.460 121.223 -0.361 0.000 2.439 888 L HA 0.200 4.554 4.340 0.023 0.000 0.269 888 L C 1.121 177.905 176.870 -0.143 0.000 1.179 888 L CA -0.046 54.711 54.840 -0.138 0.000 0.828 888 L CB 0.728 42.797 42.059 0.017 0.000 1.106 888 L HN 0.816 nan 8.230 nan 0.000 0.467 889 A N 2.135 124.910 122.820 -0.074 0.000 2.072 889 A HA -0.026 4.307 4.320 0.023 0.000 0.216 889 A C 0.839 178.404 177.584 -0.031 0.000 1.156 889 A CA 0.375 52.361 52.037 -0.084 0.000 0.701 889 A CB -0.159 18.784 19.000 -0.094 0.000 0.816 889 A HN 0.821 nan 8.150 nan 0.000 0.458 890 Q N -0.592 119.231 119.800 0.039 0.000 2.193 890 Q HA 0.618 4.972 4.340 0.023 0.000 0.246 890 Q C -1.276 174.784 176.000 0.101 0.000 0.959 890 Q CA -0.625 55.206 55.803 0.047 0.000 0.904 890 Q CB 1.574 30.344 28.738 0.053 0.000 1.238 890 Q HN 0.017 nan 8.270 nan 0.000 0.469 891 V N 1.172 121.111 119.914 0.040 0.000 2.555 891 V HA 0.837 4.970 4.120 0.023 0.000 0.302 891 V C -0.682 175.378 176.094 -0.057 0.000 1.038 891 V CA -0.330 62.022 62.300 0.087 0.000 0.887 891 V CB 1.380 33.230 31.823 0.046 0.000 0.991 891 V HN 0.959 nan 8.190 nan 0.000 0.434 892 A N 2.793 125.527 122.820 -0.144 0.000 2.423 892 A HA 0.707 5.040 4.320 0.023 0.000 0.304 892 A C 0.581 178.120 177.584 -0.075 0.000 1.104 892 A CA -0.453 51.376 52.037 -0.348 0.000 0.757 892 A CB 1.448 19.927 19.000 -0.867 0.000 1.313 892 A HN 0.768 nan 8.150 nan 0.000 0.423 893 E N 0.189 120.351 120.200 -0.064 0.000 2.107 893 E HA -0.037 4.326 4.350 0.023 0.000 0.191 893 E C 0.142 176.788 176.600 0.078 0.000 0.982 893 E CA 0.838 57.248 56.400 0.017 0.000 0.809 893 E CB 0.144 29.844 29.700 -0.000 0.000 0.756 893 E HN 0.457 nan 8.360 nan 0.000 0.459 894 R N -0.062 120.485 120.500 0.078 0.000 2.919 894 R HA 0.551 4.905 4.340 0.023 0.000 0.260 894 R C -0.550 175.917 176.300 0.278 0.000 1.067 894 R CA -0.903 55.292 56.100 0.157 0.000 1.003 894 R CB 1.740 32.105 30.300 0.109 0.000 1.192 894 R HN -0.206 nan 8.270 nan 0.000 0.488 895 V N 1.742 121.849 119.914 0.322 0.000 2.482 895 V HA 0.340 4.474 4.120 0.023 0.000 0.295 895 V C -0.368 176.011 176.094 0.474 0.000 1.026 895 V CA -0.967 61.574 62.300 0.402 0.000 0.856 895 V CB 1.740 33.755 31.823 0.321 0.000 1.001 895 V HN 0.645 nan 8.190 nan 0.000 0.424 896 N N 4.578 123.521 118.700 0.405 0.000 2.342 896 N HA 0.581 5.334 4.740 0.023 0.000 0.293 896 N C -1.302 174.473 175.510 0.441 0.000 1.026 896 N CA -0.388 52.870 53.050 0.347 0.000 0.857 896 N CB 2.759 41.344 38.487 0.162 0.000 1.256 896 N HN 0.816 nan 8.380 nan 0.000 0.484 897 W N 3.038 124.376 121.300 0.064 0.000 3.137 897 W HA 0.542 5.216 4.660 0.023 0.000 0.324 897 W C -2.087 174.398 176.519 -0.056 0.000 1.253 897 W CA -1.115 56.244 57.345 0.023 0.000 1.183 897 W CB 0.628 30.124 29.460 0.061 0.000 1.424 897 W HN 0.226 nan 8.180 nan 0.000 0.566 898 L N 4.143 125.381 121.223 0.025 0.000 2.283 898 L HA 0.901 5.254 4.340 0.023 0.000 0.281 898 L C 0.041 176.744 176.870 -0.279 0.000 1.033 898 L CA 0.572 55.233 54.840 -0.298 0.000 0.848 898 L CB 0.518 42.466 42.059 -0.185 0.000 1.226 898 L HN 1.038 nan 8.230 nan 0.000 0.429 899 G N 3.697 112.153 108.800 -0.574 0.000 2.399 899 G HA2 0.178 4.152 3.960 0.023 0.000 0.256 899 G HA3 0.178 4.152 3.960 0.023 0.000 0.256 899 G C -1.562 173.344 174.900 0.010 0.000 1.236 899 G CA -0.979 43.960 45.100 -0.268 0.000 0.914 899 G HN 0.410 nan 8.290 nan 0.000 0.482 900 L N 1.357 122.760 121.223 0.299 0.000 2.331 900 L HA 0.635 4.989 4.340 0.023 0.000 0.278 900 L C 1.015 178.011 176.870 0.211 0.000 1.106 900 L CA 0.597 55.586 54.840 0.249 0.000 0.824 900 L CB 0.572 42.717 42.059 0.144 0.000 1.142 900 L HN 1.185 nan 8.230 nan 0.000 0.443 901 G N 2.984 111.673 108.800 -0.186 0.000 2.428 901 G HA2 0.259 4.233 3.960 0.023 0.000 0.305 901 G HA3 0.259 4.233 3.960 0.023 0.000 0.305 901 G C -2.733 171.319 174.900 -1.413 0.000 1.260 901 G CA -0.255 44.369 45.100 -0.793 0.000 0.853 901 G HN 0.304 nan 8.290 nan 0.000 0.480 902 P HA 0.069 nan 4.420 nan 0.000 0.227 902 P C 0.493 177.597 177.300 -0.326 0.000 1.161 902 P CA 0.656 63.074 63.100 -1.137 0.000 0.788 902 P CB 0.447 31.629 31.700 -0.864 0.000 0.822 903 Q N 0.520 120.130 119.800 -0.317 0.000 2.318 903 Q HA 0.126 4.480 4.340 0.023 0.000 0.222 903 Q C 0.372 176.261 176.000 -0.184 0.000 1.003 903 Q CA -0.549 55.141 55.803 -0.189 0.000 0.936 903 Q CB 0.628 29.269 28.738 -0.161 0.000 1.204 903 Q HN 0.144 nan 8.270 nan 0.000 0.524 904 E N 1.309 121.402 120.200 -0.177 0.000 2.608 904 E HA -0.133 4.231 4.350 0.023 0.000 0.259 904 E C -1.111 175.383 176.600 -0.177 0.000 0.951 904 E CA 0.344 56.618 56.400 -0.209 0.000 0.945 904 E CB 0.233 29.881 29.700 -0.088 0.000 0.916 904 E HN 0.574 nan 8.360 nan 0.000 0.477 905 N N 2.606 121.108 118.700 -0.331 0.000 2.331 905 N HA 0.344 5.098 4.740 0.023 0.000 0.280 905 N C -1.832 173.396 175.510 -0.469 0.000 1.155 905 N CA -0.691 52.225 53.050 -0.223 0.000 0.822 905 N CB 0.746 39.146 38.487 -0.144 0.000 1.619 905 N HN 0.235 nan 8.380 nan 0.000 0.476 906 Y N -0.457 119.753 120.300 -0.150 0.000 2.633 906 Y HA 0.518 5.081 4.550 0.023 0.000 0.339 906 Y C -1.632 174.192 175.900 -0.126 0.000 1.045 906 Y CA -2.018 55.980 58.100 -0.171 0.000 1.098 906 Y CB 1.775 40.126 38.460 -0.181 0.000 1.296 906 Y HN 0.435 nan 8.280 nan 0.000 0.494 907 P HA -0.167 nan 4.420 nan 0.000 0.215 907 P C 0.455 177.608 177.300 -0.245 0.000 1.157 907 P CA 2.066 65.189 63.100 0.040 0.000 0.874 907 P CB 0.135 31.992 31.700 0.263 0.000 0.790 908 D N -1.837 118.138 120.400 -0.708 0.000 2.336 908 D HA -0.047 4.607 4.640 0.023 0.000 0.229 908 D C 0.764 176.900 176.300 -0.274 0.000 1.061 908 D CA 0.255 53.665 54.000 -0.984 0.000 0.875 908 D CB -0.406 39.656 40.800 -1.231 0.000 0.904 908 D HN 0.148 nan 8.370 nan 0.000 0.525 909 R N 0.890 121.334 120.500 -0.093 0.000 2.684 909 R HA 0.193 4.547 4.340 0.023 0.000 0.252 909 R C -0.660 175.667 176.300 0.045 0.000 1.628 909 R CA -0.178 55.935 56.100 0.023 0.000 1.622 909 R CB 0.084 30.406 30.300 0.036 0.000 1.418 909 R HN 0.122 nan 8.270 nan 0.000 0.697 910 L N -1.615 119.642 121.223 0.058 0.000 3.410 910 L HA 0.336 4.690 4.340 0.023 0.000 0.309 910 L C 1.305 178.227 176.870 0.086 0.000 1.254 910 L CA 0.100 54.972 54.840 0.054 0.000 1.048 910 L CB 0.168 42.250 42.059 0.037 0.000 1.442 910 L HN 0.092 nan 8.230 nan 0.000 0.615 911 T N -2.530 112.099 114.554 0.126 0.000 2.821 911 T HA -0.001 4.362 4.350 0.023 0.000 0.267 911 T C 1.830 176.520 174.700 -0.017 0.000 1.046 911 T CA 1.373 63.564 62.100 0.152 0.000 1.139 911 T CB -0.372 68.657 68.868 0.268 0.000 0.871 911 T HN 0.380 nan 8.240 nan 0.000 0.454 912 A N 1.979 124.793 122.820 -0.010 0.000 2.014 912 A HA 0.596 4.930 4.320 0.023 0.000 0.218 912 A C 1.715 179.372 177.584 0.121 0.000 1.163 912 A CA 0.664 52.652 52.037 -0.081 0.000 0.652 912 A CB -1.135 17.989 19.000 0.206 0.000 0.808 912 A HN 0.880 nan 8.150 nan 0.000 0.449 913 A N -1.021 121.823 122.820 0.040 0.000 2.498 913 A HA 0.394 4.728 4.320 0.023 0.000 0.239 913 A C 0.121 177.739 177.584 0.057 0.000 1.068 913 A CA 0.064 52.095 52.037 -0.010 0.000 0.766 913 A CB -0.280 18.695 19.000 -0.041 0.000 1.003 913 A HN 0.500 nan 8.150 nan 0.000 0.497 914 C N 1.104 120.446 119.300 0.070 0.000 2.435 914 C HA 0.552 5.026 4.460 0.023 0.000 0.333 914 C C -0.030 175.098 174.990 0.229 0.000 1.202 914 C CA -0.451 58.676 59.018 0.181 0.000 1.830 914 C CB 0.741 28.619 27.740 0.230 0.000 2.326 914 C HN 0.789 nan 8.230 nan 0.000 0.507 915 F N 3.758 123.555 119.950 -0.255 0.000 2.445 915 F HA 0.495 5.035 4.527 0.023 0.000 0.359 915 F C 0.328 175.797 175.800 -0.551 0.000 1.101 915 F CA 1.094 58.789 58.000 -0.508 0.000 1.177 915 F CB -0.007 38.166 39.000 -1.378 0.000 1.110 915 F HN 0.623 nan 8.300 nan 0.000 0.522 916 D N 3.229 122.972 120.400 -1.094 0.000 3.010 916 D HA 0.179 4.832 4.640 0.023 0.000 0.353 916 D C -1.684 173.704 176.300 -1.521 0.000 1.415 916 D CA -0.715 52.545 54.000 -1.233 0.000 0.864 916 D CB 1.396 41.339 40.800 -1.428 0.000 1.445 916 D HN 0.502 nan 8.370 nan 0.000 0.516 917 R N 0.807 120.496 120.500 -1.353 0.000 2.239 917 R HA 0.523 4.877 4.340 0.023 0.000 0.332 917 R C -1.373 174.243 176.300 -1.140 0.000 0.988 917 R CA -0.358 55.116 56.100 -1.043 0.000 0.859 917 R CB 0.197 30.148 30.300 -0.582 0.000 1.148 917 R HN 0.260 nan 8.270 nan 0.000 0.482 918 W N 2.565 123.339 121.300 -0.878 0.000 2.578 918 W HA 0.433 5.107 4.660 0.023 0.000 0.346 918 W C -0.299 175.853 176.519 -0.612 0.000 1.075 918 W CA -0.662 56.126 57.345 -0.930 0.000 1.233 918 W CB 1.397 29.874 29.460 -1.638 0.000 1.358 918 W HN 0.369 nan 8.180 nan 0.000 0.574 919 D N 2.336 122.701 120.400 -0.057 0.000 2.736 919 D HA 0.467 5.120 4.640 0.023 0.000 0.243 919 D C -1.552 174.857 176.300 0.182 0.000 1.304 919 D CA -0.194 53.865 54.000 0.098 0.000 0.934 919 D CB 1.090 41.909 40.800 0.030 0.000 1.382 919 D HN 0.404 nan 8.370 nan 0.000 0.571 920 L N 3.107 124.518 121.223 0.313 0.000 2.327 920 L HA 0.561 4.915 4.340 0.023 0.000 0.258 920 L C -2.286 174.704 176.870 0.200 0.000 1.024 920 L CA -2.190 52.794 54.840 0.240 0.000 0.825 920 L CB 2.789 45.019 42.059 0.286 0.000 1.386 920 L HN 0.194 nan 8.230 nan 0.000 0.417 921 P HA 0.022 nan 4.420 nan 0.000 0.271 921 P C 0.546 177.924 177.300 0.130 0.000 1.216 921 P CA -0.285 62.884 63.100 0.114 0.000 0.776 921 P CB 0.867 32.613 31.700 0.077 0.000 0.881 922 L N 3.870 125.177 121.223 0.140 0.000 2.051 922 L HA -0.284 4.069 4.340 0.023 0.000 0.214 922 L C 2.293 179.209 176.870 0.077 0.000 1.076 922 L CA 2.810 57.728 54.840 0.129 0.000 0.758 922 L CB -1.473 40.681 42.059 0.159 0.000 0.890 922 L HN 0.459 nan 8.230 nan 0.000 0.433 923 S N -1.766 113.977 115.700 0.071 0.000 2.399 923 S HA -0.193 4.291 4.470 0.023 0.000 0.231 923 S C 1.640 176.306 174.600 0.111 0.000 1.022 923 S CA 1.179 59.432 58.200 0.088 0.000 0.983 923 S CB -0.844 62.403 63.200 0.078 0.000 0.803 923 S HN 0.529 nan 8.310 nan 0.000 0.480 924 D N 1.245 121.689 120.400 0.073 0.000 2.350 924 D HA 0.060 4.713 4.640 0.023 0.000 0.216 924 D C 1.225 177.532 176.300 0.011 0.000 0.968 924 D CA 0.651 54.674 54.000 0.039 0.000 0.894 924 D CB -0.191 40.639 40.800 0.049 0.000 0.909 924 D HN 0.391 nan 8.370 nan 0.000 0.520 925 M N -0.503 119.114 119.600 0.028 0.000 2.563 925 M HA 0.069 4.563 4.480 0.023 0.000 0.231 925 M C -0.076 176.228 176.300 0.007 0.000 1.136 925 M CA -0.000 55.273 55.300 -0.044 0.000 1.026 925 M CB -0.853 31.705 32.600 -0.071 0.000 1.597 925 M HN -0.045 nan 8.290 nan 0.000 0.495 926 Y N -0.188 120.067 120.300 -0.076 0.000 2.425 926 Y HA 0.515 5.079 4.550 0.023 0.000 0.344 926 Y C -0.832 175.023 175.900 -0.075 0.000 0.969 926 Y CA -1.168 56.909 58.100 -0.038 0.000 1.052 926 Y CB 1.391 39.879 38.460 0.047 0.000 1.215 926 Y HN -0.134 nan 8.280 nan 0.000 0.451 927 T N 8.895 122.985 114.554 -0.772 0.000 2.756 927 T HA 0.289 4.653 4.350 0.023 0.000 0.290 927 T C -2.691 171.243 174.700 -1.276 0.000 0.985 927 T CA -1.458 60.116 62.100 -0.877 0.000 0.955 927 T CB 1.048 69.487 68.868 -0.716 0.000 0.930 927 T HN 0.454 nan 8.240 nan 0.000 0.451 928 P HA 0.115 nan 4.420 nan 0.000 0.226 928 P C -0.686 176.502 177.300 -0.186 0.000 1.783 928 P CA -0.429 62.273 63.100 -0.663 0.000 0.980 928 P CB -0.662 30.834 31.700 -0.341 0.000 1.967 929 Y N -0.217 120.027 120.300 -0.094 0.000 2.610 929 Y HA -0.097 4.467 4.550 0.023 0.000 0.332 929 Y C 2.302 178.254 175.900 0.087 0.000 1.201 929 Y CA -0.433 57.665 58.100 -0.002 0.000 1.465 929 Y CB 0.459 38.855 38.460 -0.107 0.000 1.283 929 Y HN -0.073 nan 8.280 nan 0.000 0.563 930 V N 3.328 123.455 119.914 0.355 0.000 2.282 930 V HA -0.318 3.816 4.120 0.023 0.000 0.249 930 V C 0.588 176.852 176.094 0.283 0.000 1.057 930 V CA 1.514 64.008 62.300 0.324 0.000 1.032 930 V CB -0.555 31.492 31.823 0.373 0.000 0.645 930 V HN 0.601 nan 8.190 nan 0.000 0.447 931 F N 3.249 123.247 119.950 0.080 0.000 2.350 931 F HA 0.505 5.046 4.527 0.023 0.000 0.365 931 F C -2.434 173.373 175.800 0.011 0.000 1.122 931 F CA -3.512 54.480 58.000 -0.015 0.000 1.139 931 F CB 0.648 39.528 39.000 -0.199 0.000 1.220 931 F HN 0.009 nan 8.300 nan 0.000 0.499 932 P HA 0.304 nan 4.420 nan 0.000 0.271 932 P C -1.024 175.957 177.300 -0.532 0.000 1.218 932 P CA 0.025 62.882 63.100 -0.405 0.000 0.780 932 P CB 1.326 32.832 31.700 -0.323 0.000 0.901 933 S N -0.428 115.150 115.700 -0.203 0.000 2.683 933 S HA 0.409 4.892 4.470 0.023 0.000 0.269 933 S C -0.900 173.682 174.600 -0.030 0.000 1.165 933 S CA -0.974 57.148 58.200 -0.131 0.000 0.840 933 S CB 0.282 63.427 63.200 -0.092 0.000 1.169 933 S HN 0.358 nan 8.310 nan 0.000 0.490 934 E N 1.208 121.401 120.200 -0.012 0.000 2.452 934 E HA 0.414 4.778 4.350 0.023 0.000 0.261 934 E C -0.167 176.474 176.600 0.068 0.000 0.987 934 E CA 0.709 57.130 56.400 0.034 0.000 0.926 934 E CB -0.111 29.628 29.700 0.065 0.000 0.934 934 E HN 0.815 nan 8.360 nan 0.000 0.452 935 N N 1.253 120.036 118.700 0.139 0.000 3.227 935 N HA 0.461 5.215 4.740 0.023 0.000 0.241 935 N C 0.132 175.698 175.510 0.093 0.000 1.480 935 N CA -0.562 52.614 53.050 0.211 0.000 0.886 935 N CB 0.765 39.369 38.487 0.196 0.000 1.406 935 N HN 0.751 nan 8.380 nan 0.000 0.514 936 G N -1.326 107.485 108.800 0.017 0.000 2.162 936 G HA2 -0.264 3.709 3.960 0.023 0.000 0.260 936 G HA3 -0.264 3.709 3.960 0.023 0.000 0.260 936 G C -0.196 174.434 174.900 -0.449 0.000 0.976 936 G CA 0.425 45.411 45.100 -0.191 0.000 0.655 936 G HN 0.710 nan 8.290 nan 0.000 0.533 937 L N -0.007 120.877 121.223 -0.565 0.000 2.499 937 L HA 0.639 4.993 4.340 0.023 0.000 0.281 937 L C 0.679 176.967 176.870 -0.970 0.000 1.234 937 L CA 0.493 54.758 54.840 -0.960 0.000 0.839 937 L CB 0.508 41.700 42.059 -1.446 0.000 1.104 937 L HN 0.272 nan 8.230 nan 0.000 0.500 938 R N 2.371 122.242 120.500 -1.047 0.000 2.575 938 R HA 0.512 4.866 4.340 0.023 0.000 0.293 938 R C -0.961 175.034 176.300 -0.509 0.000 0.983 938 R CA -0.302 55.328 56.100 -0.784 0.000 0.887 938 R CB 1.435 31.219 30.300 -0.860 0.000 1.184 938 R HN 0.685 nan 8.270 nan 0.000 0.445 939 C N 0.135 119.272 119.300 -0.272 0.000 2.547 939 C HA 0.723 5.197 4.460 0.023 0.000 0.411 939 C C 1.277 176.261 174.990 -0.010 0.000 1.424 939 C CA -0.170 58.762 59.018 -0.143 0.000 1.848 939 C CB 1.303 28.976 27.740 -0.111 0.000 2.062 939 C HN 1.026 nan 8.230 nan 0.000 0.504 940 G N 1.728 110.531 108.800 0.004 0.000 2.390 940 G HA2 -0.184 3.790 3.960 0.023 0.000 0.299 940 G HA3 -0.184 3.790 3.960 0.023 0.000 0.299 940 G C -0.052 174.918 174.900 0.116 0.000 1.002 940 G CA 0.683 45.830 45.100 0.079 0.000 0.979 940 G HN 0.791 nan 8.290 nan 0.000 0.513 941 T N -0.161 114.328 114.554 -0.108 0.000 2.799 941 T HA 0.523 4.887 4.350 0.023 0.000 0.286 941 T C 1.323 175.732 174.700 -0.486 0.000 0.973 941 T CA -0.693 61.302 62.100 -0.174 0.000 1.035 941 T CB 1.385 70.180 68.868 -0.121 0.000 0.932 941 T HN 0.215 nan 8.240 nan 0.000 0.469 942 R N 1.478 121.916 120.500 -0.104 0.000 2.254 942 R HA 0.283 4.637 4.340 0.023 0.000 0.193 942 R C 0.557 176.895 176.300 0.064 0.000 0.929 942 R CA 0.253 56.344 56.100 -0.014 0.000 1.038 942 R CB 0.347 30.769 30.300 0.204 0.000 1.009 942 R HN 0.711 nan 8.270 nan 0.000 0.512 943 E N 0.508 120.761 120.200 0.088 0.000 2.335 943 E HA 0.319 4.683 4.350 0.023 0.000 0.280 943 E C -1.816 174.938 176.600 0.255 0.000 0.918 943 E CA -0.683 55.849 56.400 0.220 0.000 0.765 943 E CB 1.580 31.369 29.700 0.148 0.000 1.218 943 E HN -0.077 nan 8.360 nan 0.000 0.425 944 L N 4.025 125.454 121.223 0.343 0.000 2.385 944 L HA 0.587 4.941 4.340 0.023 0.000 0.273 944 L C -1.827 175.220 176.870 0.295 0.000 0.990 944 L CA -0.406 54.573 54.840 0.231 0.000 0.821 944 L CB 1.746 43.777 42.059 -0.046 0.000 1.279 944 L HN 0.471 nan 8.230 nan 0.000 0.412 945 N N 4.669 123.519 118.700 0.249 0.000 2.372 945 N HA 0.382 5.135 4.740 0.023 0.000 0.285 945 N C -1.904 173.810 175.510 0.340 0.000 1.008 945 N CA -0.279 52.903 53.050 0.219 0.000 0.880 945 N CB 2.092 40.654 38.487 0.124 0.000 1.239 945 N HN 0.611 nan 8.380 nan 0.000 0.484 946 Y N 1.045 121.454 120.300 0.182 0.000 2.330 946 Y HA 0.406 4.970 4.550 0.023 0.000 0.324 946 Y C 0.720 176.703 175.900 0.139 0.000 1.093 946 Y CA 0.177 58.398 58.100 0.203 0.000 1.103 946 Y CB 0.817 39.465 38.460 0.313 0.000 1.183 946 Y HN 0.868 nan 8.280 nan 0.000 0.433 947 G N 6.445 115.052 108.800 -0.322 0.000 2.611 947 G HA2 -0.302 3.671 3.960 0.023 0.000 0.301 947 G HA3 -0.302 3.671 3.960 0.023 0.000 0.301 947 G C -1.842 172.934 174.900 -0.207 0.000 1.233 947 G CA 0.180 45.102 45.100 -0.298 0.000 0.993 947 G HN 0.579 nan 8.290 nan 0.000 0.553 948 P HA 0.184 nan 4.420 nan 0.000 0.255 948 P C 0.142 177.214 177.300 -0.380 0.000 1.248 948 P CA 0.547 63.452 63.100 -0.325 0.000 0.807 948 P CB 0.053 31.520 31.700 -0.388 0.000 1.150 949 H N 0.429 119.431 119.070 -0.113 0.000 2.472 949 H HA 0.462 5.032 4.556 0.023 0.000 0.335 949 H C -0.056 174.957 175.328 -0.525 0.000 1.136 949 H CA -0.034 55.822 56.048 -0.321 0.000 1.264 949 H CB 1.706 31.102 29.762 -0.610 0.000 1.486 949 H HN 0.087 nan 8.280 nan 0.000 0.517 950 Q N 2.416 121.923 119.800 -0.488 0.000 2.305 950 Q HA 0.228 4.581 4.340 0.023 0.000 0.271 950 Q C -1.613 174.035 176.000 -0.587 0.000 1.046 950 Q CA -0.761 54.816 55.803 -0.376 0.000 0.798 950 Q CB 2.081 30.767 28.738 -0.086 0.000 1.286 950 Q HN 0.563 nan 8.270 nan 0.000 0.435 951 W N 3.946 125.195 121.300 -0.086 0.000 2.529 951 W HA 0.559 5.232 4.660 0.023 0.000 0.321 951 W C -0.164 176.422 176.519 0.112 0.000 1.047 951 W CA -0.630 56.632 57.345 -0.138 0.000 1.216 951 W CB 1.821 30.995 29.460 -0.477 0.000 1.357 951 W HN 0.553 nan 8.180 nan 0.000 0.489 952 R N 0.706 121.418 120.500 0.354 0.000 2.740 952 R HA 0.789 5.143 4.340 0.023 0.000 0.282 952 R C 0.278 176.852 176.300 0.458 0.000 0.969 952 R CA -0.388 55.950 56.100 0.397 0.000 0.918 952 R CB 2.384 32.829 30.300 0.242 0.000 1.175 952 R HN 0.736 nan 8.270 nan 0.000 0.464 953 G N 0.674 109.742 108.800 0.446 0.000 2.553 953 G HA2 -0.016 3.958 3.960 0.023 0.000 0.106 953 G HA3 -0.016 3.958 3.960 0.023 0.000 0.106 953 G C -1.726 173.303 174.900 0.216 0.000 1.126 953 G CA -0.328 44.998 45.100 0.377 0.000 1.075 953 G HN 0.500 nan 8.290 nan 0.000 0.472 954 D N 0.035 120.560 120.400 0.208 0.000 2.411 954 D HA 0.572 5.226 4.640 0.023 0.000 0.239 954 D C -0.728 175.576 176.300 0.006 0.000 1.307 954 D CA -0.427 53.578 54.000 0.008 0.000 0.930 954 D CB 0.152 40.990 40.800 0.063 0.000 1.395 954 D HN 0.574 nan 8.370 nan 0.000 0.536 955 F N -0.307 119.644 119.950 0.002 0.000 2.726 955 F HA 0.732 5.273 4.527 0.023 0.000 0.324 955 F C -1.125 174.646 175.800 -0.048 0.000 1.140 955 F CA -1.017 56.927 58.000 -0.093 0.000 0.964 955 F CB 0.744 39.685 39.000 -0.097 0.000 1.399 955 F HN -0.176 nan 8.300 nan 0.000 0.491 956 Q N 1.776 121.686 119.800 0.184 0.000 2.309 956 Q HA 0.603 4.957 4.340 0.023 0.000 0.264 956 Q C -1.263 174.845 176.000 0.180 0.000 1.008 956 Q CA -0.455 55.377 55.803 0.048 0.000 0.853 956 Q CB 2.545 31.208 28.738 -0.125 0.000 1.314 956 Q HN 0.863 nan 8.270 nan 0.000 0.448 957 F N -0.697 119.173 119.950 -0.133 0.000 2.685 957 F HA 0.787 5.328 4.527 0.023 0.000 0.315 957 F C -1.584 174.013 175.800 -0.338 0.000 1.126 957 F CA -1.074 56.791 58.000 -0.224 0.000 0.950 957 F CB 1.811 40.697 39.000 -0.189 0.000 1.360 957 F HN 0.556 nan 8.300 nan 0.000 0.469 958 N N 1.315 119.810 118.700 -0.341 0.000 2.308 958 N HA 0.631 5.384 4.740 0.023 0.000 0.283 958 N C -2.265 173.184 175.510 -0.101 0.000 1.105 958 N CA -0.644 52.195 53.050 -0.352 0.000 0.840 958 N CB 2.386 40.695 38.487 -0.296 0.000 1.633 958 N HN 1.113 nan 8.380 nan 0.000 0.476 959 I N 0.997 121.504 120.570 -0.105 0.000 2.571 959 I HA 0.757 4.940 4.170 0.023 0.000 0.289 959 I C -1.303 174.729 176.117 -0.142 0.000 1.115 959 I CA 0.066 61.269 61.300 -0.162 0.000 1.045 959 I CB 1.346 39.194 38.000 -0.253 0.000 1.238 959 I HN 1.029 nan 8.210 nan 0.000 0.424 960 S N 6.066 121.689 115.700 -0.129 0.000 2.636 960 S HA 0.505 4.989 4.470 0.023 0.000 0.266 960 S C -0.178 174.315 174.600 -0.178 0.000 1.147 960 S CA -1.002 57.108 58.200 -0.152 0.000 0.815 960 S CB 1.594 64.747 63.200 -0.079 0.000 1.119 960 S HN 0.598 nan 8.310 nan 0.000 0.470 961 R N -0.182 120.036 120.500 -0.469 0.000 2.320 961 R HA 0.262 4.616 4.340 0.023 0.000 0.211 961 R C -0.814 175.274 176.300 -0.354 0.000 0.931 961 R CA 0.320 56.164 56.100 -0.426 0.000 1.071 961 R CB -0.945 28.987 30.300 -0.614 0.000 1.025 961 R HN 0.674 nan 8.270 nan 0.000 0.495 962 Y N 0.178 120.477 120.300 -0.001 0.000 2.376 962 Y HA 0.205 4.769 4.550 0.023 0.000 0.340 962 Y C 0.788 176.490 175.900 -0.329 0.000 0.965 962 Y CA -1.110 56.899 58.100 -0.152 0.000 1.078 962 Y CB 1.542 39.854 38.460 -0.246 0.000 1.193 962 Y HN -0.094 nan 8.280 nan 0.000 0.452 963 S N 1.288 116.663 115.700 -0.542 0.000 2.624 963 S HA 0.079 4.563 4.470 0.023 0.000 0.263 963 S C 0.804 175.062 174.600 -0.570 0.000 1.287 963 S CA -0.799 56.688 58.200 -1.188 0.000 0.990 963 S CB 1.077 63.430 63.200 -1.411 0.000 0.950 963 S HN 0.716 nan 8.310 nan 0.000 0.561 964 Q N 0.443 119.923 119.800 -0.534 0.000 2.119 964 Q HA -0.177 4.177 4.340 0.023 0.000 0.201 964 Q C 2.281 178.141 176.000 -0.233 0.000 0.972 964 Q CA 1.666 57.302 55.803 -0.278 0.000 0.847 964 Q CB -0.561 28.047 28.738 -0.216 0.000 0.903 964 Q HN 0.959 nan 8.270 nan 0.000 0.433 965 Q N 0.916 120.542 119.800 -0.290 0.000 2.061 965 Q HA -0.253 4.100 4.340 0.023 0.000 0.204 965 Q C 2.152 178.047 176.000 -0.176 0.000 0.984 965 Q CA 1.844 57.533 55.803 -0.190 0.000 0.846 965 Q CB -0.040 28.591 28.738 -0.177 0.000 0.902 965 Q HN 0.406 nan 8.270 nan 0.000 0.421 966 Q N 0.101 119.766 119.800 -0.225 0.000 2.020 966 Q HA -0.190 4.163 4.340 0.023 0.000 0.202 966 Q C 2.270 178.148 176.000 -0.203 0.000 0.982 966 Q CA 1.665 57.350 55.803 -0.198 0.000 0.838 966 Q CB -0.204 28.385 28.738 -0.248 0.000 0.899 966 Q HN 0.537 nan 8.270 nan 0.000 0.423 967 L N 0.587 121.680 121.223 -0.216 0.000 2.051 967 L HA -0.257 4.096 4.340 0.023 0.000 0.214 967 L C 2.760 179.500 176.870 -0.216 0.000 1.076 967 L CA 1.869 56.579 54.840 -0.217 0.000 0.758 967 L CB -0.515 41.450 42.059 -0.157 0.000 0.890 967 L HN 0.538 nan 8.230 nan 0.000 0.433 968 M N -1.589 117.916 119.600 -0.159 0.000 2.506 968 M HA -0.063 4.431 4.480 0.023 0.000 0.260 968 M C 1.329 177.567 176.300 -0.104 0.000 1.104 968 M CA 1.490 56.715 55.300 -0.124 0.000 1.112 968 M CB -0.089 32.462 32.600 -0.081 0.000 1.401 968 M HN 0.102 nan 8.290 nan 0.000 0.473 969 E N 0.980 121.116 120.200 -0.107 0.000 2.474 969 E HA 0.108 4.471 4.350 0.023 0.000 0.195 969 E C -0.448 176.111 176.600 -0.069 0.000 1.039 969 E CA 0.088 56.449 56.400 -0.066 0.000 0.881 969 E CB 0.559 30.226 29.700 -0.054 0.000 0.970 969 E HN 0.424 nan 8.360 nan 0.000 0.486 970 T N 0.221 114.697 114.554 -0.131 0.000 2.770 970 T HA 0.106 4.470 4.350 0.023 0.000 0.283 970 T C 0.911 175.514 174.700 -0.162 0.000 0.988 970 T CA -0.515 61.504 62.100 -0.134 0.000 0.957 970 T CB 1.674 70.427 68.868 -0.190 0.000 0.930 970 T HN -0.005 nan 8.240 nan 0.000 0.443 971 S N 1.861 117.572 115.700 0.018 0.000 2.503 971 S HA 0.096 4.580 4.470 0.023 0.000 0.217 971 S C 0.191 174.914 174.600 0.205 0.000 0.999 971 S CA 0.187 58.501 58.200 0.191 0.000 0.914 971 S CB -0.191 63.262 63.200 0.422 0.000 0.782 971 S HN 0.736 nan 8.310 nan 0.000 0.520 972 H N 0.902 120.014 119.070 0.070 0.000 2.782 972 H HA 0.466 5.036 4.556 0.023 0.000 0.347 972 H C 0.974 176.310 175.328 0.013 0.000 1.038 972 H CA -0.652 55.493 56.048 0.162 0.000 1.255 972 H CB 1.577 31.441 29.762 0.170 0.000 1.623 972 H HN 0.159 nan 8.280 nan 0.000 0.525 973 R N 2.496 123.117 120.500 0.203 0.000 2.119 973 R HA -0.231 4.123 4.340 0.023 0.000 0.246 973 R C 1.342 177.666 176.300 0.040 0.000 1.146 973 R CA 2.166 58.316 56.100 0.084 0.000 0.962 973 R CB -0.574 29.813 30.300 0.146 0.000 0.863 973 R HN 0.800 nan 8.270 nan 0.000 0.442 974 H N 1.064 120.147 119.070 0.023 0.000 2.518 974 H HA -0.024 4.545 4.556 0.023 0.000 0.289 974 H C 1.455 176.705 175.328 -0.130 0.000 1.051 974 H CA 1.033 57.054 56.048 -0.046 0.000 1.280 974 H CB -0.209 29.522 29.762 -0.052 0.000 1.380 974 H HN 0.350 nan 8.280 nan 0.000 0.566 975 L N 1.026 121.886 121.223 -0.605 0.000 2.611 975 L HA 0.234 4.588 4.340 0.023 0.000 0.229 975 L C 0.409 177.126 176.870 -0.256 0.000 1.137 975 L CA -0.187 54.339 54.840 -0.524 0.000 0.901 975 L CB 0.120 41.832 42.059 -0.578 0.000 1.098 975 L HN 0.047 nan 8.230 nan 0.000 0.456 976 L N 0.596 121.670 121.223 -0.249 0.000 2.395 976 L HA 0.213 4.567 4.340 0.023 0.000 0.269 976 L C 0.249 177.063 176.870 -0.093 0.000 1.133 976 L CA -0.281 54.375 54.840 -0.306 0.000 0.812 976 L CB 0.548 42.185 42.059 -0.702 0.000 1.125 976 L HN 0.177 nan 8.230 nan 0.000 0.452 977 H N 1.572 120.633 119.070 -0.014 0.000 2.589 977 H HA 0.599 5.168 4.556 0.023 0.000 0.351 977 H C -0.772 174.696 175.328 0.234 0.000 1.074 977 H CA -1.198 54.903 56.048 0.088 0.000 1.203 977 H CB 1.357 31.131 29.762 0.019 0.000 1.558 977 H HN 0.702 nan 8.280 nan 0.000 0.522 978 A N 3.964 126.932 122.820 0.247 0.000 2.546 978 A HA 0.078 4.412 4.320 0.023 0.000 0.243 978 A C 0.306 177.951 177.584 0.101 0.000 1.063 978 A CA -0.076 51.970 52.037 0.015 0.000 0.757 978 A CB -0.019 18.947 19.000 -0.056 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.503 979 E N 1.071 121.306 120.200 0.058 0.000 2.330 979 E HA 0.255 4.619 4.350 0.023 0.000 0.256 979 E C -0.207 176.432 176.600 0.064 0.000 1.146 979 E CA -0.777 55.719 56.400 0.161 0.000 0.945 979 E CB 0.727 30.599 29.700 0.286 0.000 1.182 979 E HN 0.786 nan 8.360 nan 0.000 0.480 980 E N 0.091 120.321 120.200 0.050 0.000 2.392 980 E HA 0.232 4.596 4.350 0.023 0.000 0.264 980 E C 0.274 176.809 176.600 -0.109 0.000 1.024 980 E CA 0.630 57.016 56.400 -0.023 0.000 0.903 980 E CB 0.490 30.174 29.700 -0.026 0.000 0.963 980 E HN 0.672 nan 8.360 nan 0.000 0.432 981 G N 2.657 111.396 108.800 -0.102 0.000 2.593 981 G HA2 -0.223 3.751 3.960 0.023 0.000 0.237 981 G HA3 -0.223 3.751 3.960 0.023 0.000 0.237 981 G C -0.632 174.176 174.900 -0.153 0.000 1.312 981 G CA -0.204 44.813 45.100 -0.137 0.000 0.896 981 G HN 0.593 nan 8.290 nan 0.000 0.574 982 T N 0.135 114.565 114.554 -0.207 0.000 2.879 982 T HA 0.502 4.865 4.350 0.023 0.000 0.290 982 T C -0.826 173.682 174.700 -0.319 0.000 0.993 982 T CA -0.183 61.800 62.100 -0.196 0.000 0.975 982 T CB 1.406 70.227 68.868 -0.078 0.000 0.981 982 T HN 0.575 nan 8.240 nan 0.000 0.439 983 W N 3.327 124.514 121.300 -0.188 0.000 2.345 983 W HA 0.580 5.253 4.660 0.023 0.000 0.308 983 W C -0.237 176.134 176.519 -0.247 0.000 1.273 983 W CA -0.666 56.568 57.345 -0.184 0.000 1.243 983 W CB 0.635 30.006 29.460 -0.149 0.000 1.260 983 W HN 0.369 nan 8.180 nan 0.000 0.509 984 L N 5.797 127.004 121.223 -0.026 0.000 2.333 984 L HA 0.510 4.864 4.340 0.023 0.000 0.280 984 L C -0.947 175.808 176.870 -0.191 0.000 1.004 984 L CA -0.468 54.232 54.840 -0.234 0.000 0.820 984 L CB 0.834 42.587 42.059 -0.509 0.000 1.247 984 L HN 0.305 nan 8.230 nan 0.000 0.416 985 N N 6.298 124.878 118.700 -0.199 0.000 2.407 985 N HA 0.465 5.219 4.740 0.023 0.000 0.277 985 N C -1.319 174.043 175.510 -0.246 0.000 0.995 985 N CA -0.202 52.733 53.050 -0.192 0.000 0.903 985 N CB 2.606 41.013 38.487 -0.133 0.000 1.218 985 N HN 0.643 nan 8.380 nan 0.000 0.487 986 I N 1.753 122.137 120.570 -0.310 0.000 2.439 986 I HA 0.252 4.436 4.170 0.023 0.000 0.283 986 I C -1.267 174.673 176.117 -0.295 0.000 1.023 986 I CA -0.582 60.501 61.300 -0.361 0.000 1.100 986 I CB 0.970 38.566 38.000 -0.674 0.000 1.238 986 I HN 0.240 nan 8.210 nan 0.000 0.445 987 D N 5.260 125.526 120.400 -0.223 0.000 2.217 987 D HA 0.312 4.966 4.640 0.023 0.000 0.243 987 D C 0.849 176.869 176.300 -0.467 0.000 1.054 987 D CA -0.267 53.537 54.000 -0.326 0.000 0.838 987 D CB 2.282 42.994 40.800 -0.146 0.000 1.162 987 D HN 0.702 nan 8.370 nan 0.000 0.472 988 G N 1.213 109.392 108.800 -1.034 0.000 2.408 988 G HA2 -0.036 3.937 3.960 0.023 0.000 0.217 988 G HA3 -0.036 3.937 3.960 0.023 0.000 0.217 988 G C 0.097 174.296 174.900 -1.168 0.000 1.150 988 G CA 0.625 44.989 45.100 -1.227 0.000 0.776 988 G HN 0.399 nan 8.290 nan 0.000 0.542 989 F N -2.209 117.549 119.950 -0.321 0.000 2.628 989 F HA 0.535 5.075 4.527 0.023 0.000 0.309 989 F C -0.627 175.066 175.800 -0.179 0.000 1.108 989 F CA -1.187 56.705 58.000 -0.179 0.000 0.971 989 F CB 1.902 40.740 39.000 -0.270 0.000 1.279 989 F HN 0.015 nan 8.300 nan 0.000 0.441 990 H N 2.137 121.219 119.070 0.020 0.000 2.679 990 H HA 0.582 5.152 4.556 0.023 0.000 0.360 990 H C -0.747 174.601 175.328 0.034 0.000 1.105 990 H CA -0.895 55.138 56.048 -0.025 0.000 1.196 990 H CB 1.884 31.625 29.762 -0.036 0.000 1.636 990 H HN 0.779 nan 8.280 nan 0.000 0.531 991 M N 3.257 122.793 119.600 -0.107 0.000 2.240 991 M HA 0.285 4.778 4.480 0.023 0.000 0.333 991 M C 0.425 176.856 176.300 0.217 0.000 1.110 991 M CA 0.151 55.479 55.300 0.047 0.000 1.173 991 M CB 0.399 32.931 32.600 -0.114 0.000 1.458 991 M HN 0.836 nan 8.290 nan 0.000 0.458 992 G N 3.000 111.904 108.800 0.173 0.000 2.614 992 G HA2 0.270 4.244 3.960 0.023 0.000 0.239 992 G HA3 0.270 4.244 3.960 0.023 0.000 0.239 992 G C 0.655 175.538 174.900 -0.029 0.000 1.240 992 G CA -0.488 44.636 45.100 0.041 0.000 0.842 992 G HN 0.982 nan 8.290 nan 0.000 0.584 993 I N -0.541 119.965 120.570 -0.108 0.000 3.226 993 I HA 0.355 4.539 4.170 0.023 0.000 0.277 993 I C 1.248 177.295 176.117 -0.117 0.000 1.243 993 I CA 0.445 61.644 61.300 -0.168 0.000 1.459 993 I CB -0.714 37.090 38.000 -0.326 0.000 1.093 993 I HN 0.899 nan 8.210 nan 0.000 0.453 994 G N 1.529 110.281 108.800 -0.080 0.000 2.645 994 G HA2 0.017 3.991 3.960 0.023 0.000 0.246 994 G HA3 0.017 3.991 3.960 0.023 0.000 0.246 994 G C 0.542 175.431 174.900 -0.017 0.000 1.322 994 G CA 0.100 45.190 45.100 -0.017 0.000 0.898 994 G HN 1.371 nan 8.290 nan 0.000 0.573 995 G N -2.324 106.480 108.800 0.006 0.000 2.559 995 G HA2 0.030 4.004 3.960 0.023 0.000 0.202 995 G HA3 0.030 4.004 3.960 0.023 0.000 0.202 995 G C 0.628 175.567 174.900 0.065 0.000 0.992 995 G CA 0.896 46.004 45.100 0.012 0.000 0.764 995 G HN 0.970 nan 8.290 nan 0.000 0.525 996 D N 1.254 121.717 120.400 0.105 0.000 2.172 996 D HA 0.068 4.722 4.640 0.023 0.000 0.196 996 D C 1.084 177.411 176.300 0.046 0.000 0.999 996 D CA 2.194 56.316 54.000 0.205 0.000 0.856 996 D CB 0.137 41.060 40.800 0.204 0.000 0.934 996 D HN 0.804 nan 8.370 nan 0.000 0.453 997 D N -3.455 116.760 120.400 -0.309 0.000 2.626 997 D HA 0.362 5.016 4.640 0.023 0.000 0.278 997 D C -0.797 174.985 176.300 -0.862 0.000 1.211 997 D CA -0.731 52.649 54.000 -1.033 0.000 0.903 997 D CB 0.998 40.674 40.800 -1.874 0.000 1.408 997 D HN -0.293 nan 8.370 nan 0.000 0.454 998 S N -0.611 114.439 115.700 -1.084 0.000 2.651 998 S HA 0.242 4.725 4.470 0.023 0.000 0.246 998 S C -0.621 174.001 174.600 0.037 0.000 1.039 998 S CA -0.703 57.353 58.200 -0.240 0.000 1.013 998 S CB -0.557 62.729 63.200 0.143 0.000 0.861 998 S HN 0.616 nan 8.310 nan 0.000 0.485 999 W N 0.936 122.201 121.300 -0.057 0.000 2.036 999 W HA 0.551 5.224 4.660 0.022 0.000 0.298 999 W C 0.011 176.502 176.519 -0.047 0.000 0.885 999 W CA -0.558 56.764 57.345 -0.037 0.000 1.488 999 W CB -0.537 28.847 29.460 -0.127 0.000 1.079 999 W HN 0.184 nan 8.180 nan 0.000 0.506 1000 S N -1.064 114.545 115.700 -0.153 0.000 2.565 1000 S HA 0.630 5.114 4.470 0.023 0.000 0.269 1000 S C -3.143 171.413 174.600 -0.073 0.000 1.153 1000 S CA -1.611 56.545 58.200 -0.073 0.000 0.835 1000 S CB 1.689 64.859 63.200 -0.051 0.000 1.122 1000 S HN -0.223 nan 8.310 nan 0.000 0.462 1001 P HA 0.186 nan 4.420 nan 0.000 0.263 1001 P C 0.406 177.756 177.300 0.083 0.000 1.195 1001 P CA 0.085 63.210 63.100 0.042 0.000 0.762 1001 P CB 0.731 32.341 31.700 -0.150 0.000 0.799 1002 S N 0.853 116.639 115.700 0.144 0.000 2.733 1002 S HA 0.134 4.618 4.470 0.023 0.000 0.247 1002 S C 0.193 174.880 174.600 0.146 0.000 1.043 1002 S CA -0.274 57.983 58.200 0.096 0.000 1.066 1002 S CB -0.195 63.006 63.200 0.002 0.000 1.045 1002 S HN 0.101 nan 8.310 nan 0.000 0.586 1003 V N 2.884 122.927 119.914 0.213 0.000 2.455 1003 V HA 0.390 4.524 4.120 0.023 0.000 0.273 1003 V C 0.785 177.032 176.094 0.254 0.000 1.045 1003 V CA -0.344 62.066 62.300 0.183 0.000 0.976 1003 V CB 0.969 32.837 31.823 0.075 0.000 0.993 1003 V HN 0.500 nan 8.190 nan 0.000 0.475 1004 S N 3.974 119.836 115.700 0.271 0.000 2.560 1004 S HA 0.264 4.748 4.470 0.023 0.000 0.284 1004 S C 1.555 176.301 174.600 0.243 0.000 1.327 1004 S CA 0.062 58.417 58.200 0.258 0.000 1.055 1004 S CB 1.051 64.427 63.200 0.294 0.000 0.868 1004 S HN 1.007 nan 8.310 nan 0.000 0.506 1005 A N 3.926 126.846 122.820 0.167 0.000 1.958 1005 A HA -0.165 4.168 4.320 0.023 0.000 0.221 1005 A C 2.041 179.665 177.584 0.066 0.000 1.178 1005 A CA 1.910 54.033 52.037 0.143 0.000 0.642 1005 A CB -0.630 18.431 19.000 0.101 0.000 0.816 1005 A HN 0.960 nan 8.150 nan 0.000 0.453 1006 E N -0.751 119.428 120.200 -0.036 0.000 2.338 1006 E HA -0.127 4.237 4.350 0.023 0.000 0.197 1006 E C 0.842 177.189 176.600 -0.421 0.000 1.007 1006 E CA 0.807 57.056 56.400 -0.253 0.000 0.849 1006 E CB -0.494 28.975 29.700 -0.384 0.000 0.774 1006 E HN 0.676 nan 8.360 nan 0.000 0.506 1007 F N 1.399 121.404 119.950 0.092 0.000 2.664 1007 F HA 0.255 4.796 4.527 0.022 0.000 0.303 1007 F C 0.869 176.709 175.800 0.066 0.000 1.092 1007 F CA -0.438 57.613 58.000 0.086 0.000 1.305 1007 F CB 0.390 39.439 39.000 0.082 0.000 1.054 1007 F HN -0.198 nan 8.300 nan 0.000 0.565 1008 Q N 1.428 121.339 119.800 0.185 0.000 2.259 1008 Q HA 0.385 4.738 4.340 0.023 0.000 0.249 1008 Q C -0.228 175.816 176.000 0.072 0.000 0.914 1008 Q CA -0.440 55.456 55.803 0.156 0.000 0.904 1008 Q CB 1.827 30.759 28.738 0.323 0.000 1.213 1008 Q HN 0.277 nan 8.270 nan 0.000 0.428 1009 L N 2.337 123.577 121.223 0.027 0.000 2.399 1009 L HA 0.115 4.469 4.340 0.023 0.000 0.257 1009 L C 0.830 177.629 176.870 -0.119 0.000 1.236 1009 L CA -0.098 54.718 54.840 -0.040 0.000 1.144 1009 L CB -0.302 41.605 42.059 -0.253 0.000 1.379 1009 L HN 0.704 nan 8.230 nan 0.000 0.414 1010 S N -0.670 114.909 115.700 -0.202 0.000 2.539 1010 S HA 0.133 4.617 4.470 0.023 0.000 0.221 1010 S C 1.704 176.220 174.600 -0.139 0.000 0.987 1010 S CA 0.224 58.136 58.200 -0.480 0.000 0.929 1010 S CB 0.669 63.508 63.200 -0.602 0.000 0.832 1010 S HN 0.517 nan 8.310 nan 0.000 0.492 1011 A N 1.442 124.223 122.820 -0.065 0.000 2.125 1011 A HA 0.412 4.745 4.320 0.023 0.000 0.219 1011 A C 2.116 179.545 177.584 -0.257 0.000 1.156 1011 A CA 1.379 53.243 52.037 -0.289 0.000 0.671 1011 A CB -1.342 17.232 19.000 -0.709 0.000 0.794 1011 A HN 1.535 nan 8.150 nan 0.000 0.459 1012 G N -1.493 107.260 108.800 -0.078 0.000 2.640 1012 G HA2 -0.294 3.680 3.960 0.023 0.000 0.226 1012 G HA3 -0.294 3.680 3.960 0.023 0.000 0.226 1012 G C 0.449 175.332 174.900 -0.027 0.000 1.222 1012 G CA 0.425 45.522 45.100 -0.005 0.000 0.729 1012 G HN 0.690 nan 8.290 nan 0.000 0.516 1013 R N -0.376 119.983 120.500 -0.234 0.000 2.532 1013 R HA 0.645 4.999 4.340 0.023 0.000 0.297 1013 R C -1.592 174.460 176.300 -0.413 0.000 0.984 1013 R CA -0.561 55.450 56.100 -0.148 0.000 0.884 1013 R CB 1.423 31.686 30.300 -0.062 0.000 1.182 1013 R HN 0.246 nan 8.270 nan 0.000 0.442 1014 Y N 0.767 121.058 120.300 -0.015 0.000 2.409 1014 Y HA 0.348 4.911 4.550 0.023 0.000 0.343 1014 Y C -0.235 175.819 175.900 0.257 0.000 0.973 1014 Y CA -0.786 57.287 58.100 -0.044 0.000 1.064 1014 Y CB 2.011 40.302 38.460 -0.281 0.000 1.207 1014 Y HN 0.567 nan 8.280 nan 0.000 0.452 1015 H N 3.226 122.575 119.070 0.464 0.000 2.600 1015 H HA 0.608 5.178 4.556 0.023 0.000 0.357 1015 H C -1.697 174.030 175.328 0.665 0.000 1.106 1015 H CA -0.892 55.417 56.048 0.435 0.000 1.193 1015 H CB 1.182 31.085 29.762 0.235 0.000 1.594 1015 H HN 0.601 nan 8.280 nan 0.000 0.526 1016 Y N 1.588 121.716 120.300 -0.286 0.000 2.609 1016 Y HA 0.453 5.017 4.550 0.023 0.000 0.336 1016 Y C -1.986 173.711 175.900 -0.339 0.000 1.129 1016 Y CA -1.140 56.848 58.100 -0.188 0.000 1.040 1016 Y CB 1.419 39.847 38.460 -0.053 0.000 1.310 1016 Y HN 0.735 nan 8.280 nan 0.000 0.460 1017 Q N 3.132 122.929 119.800 -0.004 0.000 2.345 1017 Q HA 0.793 5.147 4.340 0.023 0.000 0.275 1017 Q C -2.130 173.955 176.000 0.140 0.000 1.063 1017 Q CA -1.100 54.692 55.803 -0.019 0.000 0.819 1017 Q CB 3.401 32.170 28.738 0.051 0.000 1.356 1017 Q HN 0.844 nan 8.270 nan 0.000 0.418 1018 L N 1.398 122.686 121.223 0.109 0.000 2.434 1018 L HA 0.672 5.025 4.340 0.023 0.000 0.260 1018 L C -1.179 175.806 176.870 0.192 0.000 0.983 1018 L CA -1.254 53.691 54.840 0.175 0.000 0.820 1018 L CB 2.769 44.914 42.059 0.143 0.000 1.361 1018 L HN 0.506 nan 8.230 nan 0.000 0.410 1019 V N 1.485 121.539 119.914 0.233 0.000 2.407 1019 V HA 0.377 4.510 4.120 0.023 0.000 0.291 1019 V C -1.122 175.145 176.094 0.288 0.000 1.018 1019 V CA -0.437 62.008 62.300 0.242 0.000 0.842 1019 V CB 2.078 34.014 31.823 0.189 0.000 0.996 1019 V HN 0.589 nan 8.190 nan 0.000 0.426 1020 W N 7.269 128.639 121.300 0.117 0.000 2.376 1020 W HA 0.706 5.380 4.660 0.023 0.000 0.312 1020 W C -0.237 176.295 176.519 0.022 0.000 1.060 1020 W CA -1.093 56.246 57.345 -0.010 0.000 1.221 1020 W CB 1.406 30.937 29.460 0.120 0.000 1.281 1020 W HN 0.843 nan 8.180 nan 0.000 0.456 1021 C N 3.897 123.462 119.300 0.443 0.000 3.323 1021 C HA 0.665 5.139 4.460 0.023 0.000 0.324 1021 C C -0.520 174.600 174.990 0.216 0.000 1.428 1021 C CA -0.901 58.295 59.018 0.297 0.000 1.368 1021 C CB 1.635 29.483 27.740 0.180 0.000 1.731 1021 C HN 0.713 nan 8.230 nan 0.000 0.455 1022 Q N 1.510 121.385 119.800 0.125 0.000 2.222 1022 Q HA 0.654 5.008 4.340 0.023 0.000 0.252 1022 Q C -0.601 175.397 176.000 -0.003 0.000 0.926 1022 Q CA -0.261 55.560 55.803 0.029 0.000 0.899 1022 Q CB 1.350 30.073 28.738 -0.026 0.000 1.250 1022 Q HN 0.893 nan 8.270 nan 0.000 0.441 1023 K N 0.000 120.370 120.400 -0.050 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.023 0.000 0.191 1023 K CA 0.000 56.261 56.287 -0.043 0.000 0.838 1023 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543