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 1jz0_1_B DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.027 0.000 1.214 4 T N -1.960 112.626 114.554 0.053 0.000 3.100 4 T HA 0.204 4.554 4.350 -0.000 0.000 0.253 4 T C 0.793 175.530 174.700 0.062 0.000 1.118 4 T CA 1.000 63.118 62.100 0.031 0.000 1.058 4 T CB -0.466 68.417 68.868 0.026 0.000 0.953 4 T HN 0.312 nan 8.240 nan 0.000 0.515 5 D N 2.306 122.799 120.400 0.156 0.000 2.340 5 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 5 D C 0.978 177.475 176.300 0.330 0.000 1.039 5 D CA 0.123 54.325 54.000 0.337 0.000 0.866 5 D CB -0.001 41.049 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.310 116.093 115.700 0.139 0.000 2.549 6 S HA 0.046 4.516 4.470 -0.000 0.000 0.283 6 S C 1.373 176.021 174.600 0.080 0.000 1.320 6 S CA -0.649 57.595 58.200 0.073 0.000 1.058 6 S CB 1.071 64.285 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.143 125.397 121.223 0.051 0.000 1.997 7 L HA -0.127 4.212 4.340 -0.000 0.000 0.216 7 L C 3.017 179.905 176.870 0.030 0.000 1.074 7 L CA 2.601 57.477 54.840 0.061 0.000 0.763 7 L CB -1.791 40.262 42.059 -0.009 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.379 121.447 122.820 0.010 0.000 1.940 8 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.435 54.475 52.037 0.005 0.000 0.647 8 A CB -1.063 17.936 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.912 118.989 119.914 -0.022 0.000 2.273 9 V HA -0.164 3.956 4.120 -0.000 0.000 0.242 9 V C 2.572 178.596 176.094 -0.117 0.000 1.035 9 V CA 1.720 63.986 62.300 -0.058 0.000 1.013 9 V CB -0.393 31.400 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.686 120.501 119.914 -0.165 0.000 2.231 10 V HA -0.305 3.814 4.120 -0.000 0.000 0.250 10 V C 2.187 178.168 176.094 -0.188 0.000 1.058 10 V CA 2.341 64.433 62.300 -0.346 0.000 1.022 10 V CB -0.756 30.801 31.823 -0.443 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.352 121.568 121.223 -0.011 0.000 2.633 11 L HA -0.123 4.217 4.340 -0.000 0.000 0.235 11 L C 2.384 179.334 176.870 0.133 0.000 1.163 11 L CA 0.811 55.787 54.840 0.226 0.000 0.859 11 L CB -0.799 41.432 42.059 0.286 0.000 0.973 11 L HN 0.432 nan 8.230 nan 0.000 0.451 12 Q N 1.044 120.844 119.800 -0.000 0.000 2.079 12 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 12 Q C 2.312 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.493 57.276 55.803 -0.034 0.000 0.840 12 Q CB -0.044 28.662 28.738 -0.054 0.000 0.898 12 Q HN 0.222 nan 8.270 nan 0.000 0.430 13 R N 0.372 120.790 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 4.340 -0.000 0.000 0.239 13 R C 0.340 176.444 176.300 -0.327 0.000 1.135 13 R CA 1.160 57.144 56.100 -0.193 0.000 0.967 13 R CB -0.266 29.920 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.748 120.942 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.213 4.340 -0.000 0.000 0.257 14 R C -0.049 175.696 176.300 -0.925 0.000 1.014 14 R CA 0.412 55.734 56.100 -1.296 0.000 0.681 14 R CB -1.206 28.543 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.276 119.804 120.400 -0.534 0.000 2.182 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 15 D C 1.606 177.850 176.300 -0.093 0.000 0.986 15 D CA 1.843 55.631 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.693 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.595 122.933 121.300 0.064 0.000 3.204 16 W HA 0.133 4.793 4.660 -0.000 0.000 0.249 16 W C 0.457 177.091 176.519 0.191 0.000 1.322 16 W CA -0.114 57.368 57.345 0.229 0.000 1.593 16 W CB -0.245 29.380 29.460 0.275 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.942 120.972 120.200 -0.283 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.773 175.719 176.600 -0.179 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.179 29.474 29.700 -0.078 0.000 1.088 17 E HN 0.094 nan 8.360 nan 0.000 0.463 18 N N 1.226 119.839 118.700 -0.144 0.000 2.594 18 N HA 0.136 4.876 4.740 -0.000 0.000 0.280 18 N C -2.243 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.950 50.980 53.050 -0.199 0.000 0.831 18 N CB 1.479 39.852 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.047 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.247 177.300 -0.380 0.000 1.144 19 P CA 1.056 63.831 63.100 -0.541 0.000 0.800 19 P CB 0.132 31.065 31.700 -1.278 0.000 0.772 20 G N -0.594 108.020 108.800 -0.309 0.000 2.484 20 G HA2 0.001 3.961 3.960 -0.000 0.000 0.218 20 G HA3 0.001 3.961 3.960 -0.000 0.000 0.218 20 G C 0.354 175.183 174.900 -0.118 0.000 1.130 20 G CA 0.208 45.182 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.222 121.088 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 -0.000 0.000 0.285 21 V C 0.855 177.017 176.094 0.114 0.000 1.014 21 V CA 0.183 62.492 62.300 0.014 0.000 0.831 21 V CB 1.310 33.136 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.755 115.364 114.554 0.091 0.000 3.003 22 T HA 0.354 4.704 4.350 -0.000 0.000 0.261 22 T C 0.236 174.963 174.700 0.044 0.000 1.003 22 T CA 0.235 62.383 62.100 0.080 0.000 0.917 22 T CB 0.401 69.275 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.394 120.267 119.800 0.121 0.000 2.687 23 Q HA 0.702 5.042 4.340 -0.000 0.000 0.295 23 Q C -2.251 173.878 176.000 0.214 0.000 0.920 23 Q CA -1.064 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.982 29.702 28.738 -0.029 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.730 123.102 121.223 0.248 0.000 2.528 24 L HA 0.561 4.900 4.340 -0.000 0.000 0.267 24 L C -0.747 176.267 176.870 0.239 0.000 0.961 24 L CA -0.842 54.161 54.840 0.271 0.000 0.866 24 L CB 1.919 44.242 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.886 119.685 118.700 0.165 0.000 2.741 25 N HA -0.218 4.521 4.740 -0.000 0.000 0.251 25 N C 0.179 175.768 175.510 0.131 0.000 1.112 25 N CA 0.816 53.962 53.050 0.160 0.000 0.750 25 N CB -0.766 37.809 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.162 121.613 120.500 -0.081 0.000 2.390 26 R HA 0.402 4.741 4.340 -0.000 0.000 0.291 26 R C 0.773 176.901 176.300 -0.286 0.000 1.070 26 R CA -0.443 55.340 56.100 -0.529 0.000 1.014 26 R CB 0.612 30.602 30.300 -0.516 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.570 123.611 121.223 -0.303 0.000 2.456 27 L HA 0.281 4.621 4.340 -0.000 0.000 0.246 27 L C 0.750 177.576 176.870 -0.073 0.000 1.238 27 L CA -0.511 54.263 54.840 -0.111 0.000 0.826 27 L CB 0.229 42.264 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.237 123.063 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 -0.000 0.000 0.269 28 A C 0.104 177.751 177.584 0.105 0.000 1.094 28 A CA -0.175 51.885 52.037 0.039 0.000 0.807 28 A CB 0.547 19.587 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.820 123.656 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 29 A C 0.064 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.565 52.559 52.037 -0.071 0.000 0.802 29 A CB -0.112 18.817 19.000 -0.118 0.000 1.042 29 A HN 2.036 nan 8.150 nan 0.000 0.489 30 H N -2.451 116.533 119.070 -0.144 0.000 2.921 30 H HA 0.545 5.101 4.556 -0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.509 54.409 56.048 -0.216 0.000 1.178 30 H CB 0.065 29.704 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.208 nan 4.420 nan 0.000 0.272 31 P C -2.609 174.402 177.300 -0.482 0.000 1.240 31 P CA -1.524 61.348 63.100 -0.380 0.000 0.791 31 P CB -0.407 31.055 31.700 -0.396 0.000 0.978 32 P HA 0.073 nan 4.420 nan 0.000 0.261 32 P C -0.768 176.540 177.300 0.013 0.000 1.183 32 P CA 1.005 64.013 63.100 -0.153 0.000 0.761 32 P CB -0.181 31.516 31.700 -0.006 0.000 0.785 33 F N 1.235 121.315 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 33 F C 1.139 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.963 57.111 58.000 0.123 0.000 0.946 33 F CB 1.997 41.031 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.251 123.091 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 -0.000 0.000 0.199 34 A C 0.879 178.250 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.064 18.118 19.000 -1.363 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.597 115.007 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.329 35 S C 0.018 174.597 174.600 -0.036 0.000 1.104 35 S CA 0.389 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.849 61.253 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.121 122.425 121.300 0.007 0.000 2.226 36 W HA 0.116 4.776 4.660 -0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.008 57.345 57.345 0.014 0.000 1.305 36 W CB 0.104 29.572 29.460 0.013 0.000 1.193 36 W HN 0.354 nan 8.180 nan 0.000 0.596 37 R N 1.219 121.888 120.500 0.282 0.000 2.535 37 R HA 0.084 4.423 4.340 -0.000 0.000 0.323 37 R C 0.035 176.418 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.162 0.000 1.120 37 R CB 0.359 30.723 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.899 119.701 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 -0.000 0.000 0.291 38 N C 0.584 176.081 175.510 -0.021 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.111 40.635 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.250 118.918 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 39 S C 1.297 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.339 59.460 58.200 -0.132 0.000 1.074 39 S CB -0.331 62.826 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.249 121.331 120.200 -0.196 0.000 2.086 40 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 40 E C 2.223 178.649 176.600 -0.290 0.000 1.012 40 E CA 1.684 57.938 56.400 -0.243 0.000 0.812 40 E CB -0.621 28.986 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.213 120.274 120.200 -0.233 0.000 2.038 41 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 41 E C 2.055 178.234 176.600 -0.700 0.000 1.000 41 E CA 1.169 57.442 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.603 29.700 0.099 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.578 123.584 122.820 -1.357 0.000 1.877 42 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 42 A C 2.121 179.064 177.584 -1.068 0.000 1.186 42 A CA 1.802 52.486 52.037 -2.254 0.000 0.620 42 A CB -0.581 17.533 19.000 -1.476 0.000 0.822 42 A HN 0.136 nan 8.150 nan 0.000 0.443 43 R N -0.107 119.991 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 43 R C 1.451 177.509 176.300 -0.403 0.000 1.134 43 R CA 2.070 57.863 56.100 -0.512 0.000 0.975 43 R CB -0.419 29.523 30.300 -0.598 0.000 0.865 43 R HN 0.592 nan 8.270 nan 0.000 0.447 44 T N -2.781 111.563 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 44 T C -0.005 174.637 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.264 69.040 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.478 121.798 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 45 D C 0.339 176.790 176.300 0.251 0.000 1.138 45 D CA 0.394 54.464 54.000 0.116 0.000 0.676 45 D CB -0.619 40.262 40.800 0.136 0.000 1.069 45 D HN 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.365 120.301 120.500 0.276 0.000 2.745 46 R HA 0.559 4.899 4.340 -0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.941 55.344 56.100 0.308 0.000 1.102 46 R CB -0.374 30.060 30.300 0.224 0.000 1.151 46 R HN 0.136 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.985 176.359 177.300 0.074 0.000 1.337 47 P CA -0.421 62.772 63.100 0.155 0.000 0.889 47 P CB 1.681 33.443 31.700 0.102 0.000 1.050 48 S N 1.844 117.446 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 -0.000 0.000 0.284 48 S C 1.049 175.610 174.600 -0.064 0.000 1.192 48 S CA -0.454 57.597 58.200 -0.249 0.000 1.070 48 S CB 0.592 63.357 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.349 122.166 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.287 4.340 -0.000 0.000 0.206 49 Q C 0.926 177.070 176.000 0.240 0.000 0.963 49 Q CA 0.522 56.402 55.803 0.128 0.000 0.894 49 Q CB -0.163 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.782 nan 8.270 nan 0.000 0.475 50 Q N 0.528 120.398 119.800 0.116 0.000 2.444 50 Q HA 0.116 4.455 4.340 -0.000 0.000 0.206 50 Q C 0.149 176.201 176.000 0.085 0.000 0.948 50 Q CA 0.225 56.075 55.803 0.078 0.000 0.946 50 Q CB -0.055 28.625 28.738 -0.096 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.008 122.300 121.223 0.115 0.000 2.343 51 L HA 0.481 4.821 4.340 -0.000 0.000 0.278 51 L C -1.170 175.784 176.870 0.140 0.000 0.996 51 L CA -0.390 54.506 54.840 0.093 0.000 0.831 51 L CB 1.530 43.564 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.728 123.333 120.500 0.175 0.000 2.575 52 R HA 0.469 4.809 4.340 -0.000 0.000 0.293 52 R C -1.045 175.288 176.300 0.055 0.000 0.983 52 R CA -0.544 55.626 56.100 0.116 0.000 0.887 52 R CB 2.269 32.653 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.147 118.867 115.700 0.034 0.000 2.562 53 S HA 0.308 4.778 4.470 -0.000 0.000 0.275 53 S C 0.858 175.471 174.600 0.023 0.000 1.281 53 S CA -0.528 57.685 58.200 0.023 0.000 1.045 53 S CB 0.565 63.786 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.492 124.738 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 -0.000 0.000 0.252 54 L C 0.081 177.154 176.870 0.338 0.000 1.195 54 L CA -0.317 54.587 54.840 0.107 0.000 1.003 54 L CB -0.508 41.589 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.693 120.510 118.700 0.194 0.000 2.513 55 N HA 0.481 5.221 4.740 -0.000 0.000 0.268 55 N C 0.641 176.297 175.510 0.243 0.000 1.180 55 N CA 0.757 53.920 53.050 0.188 0.000 0.948 55 N CB 1.791 40.320 38.487 0.069 0.000 1.083 55 N HN 0.337 nan 8.380 nan 0.000 0.455 56 G N 0.922 109.906 108.800 0.307 0.000 2.403 56 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.223 56 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.223 56 G C -1.377 173.777 174.900 0.424 0.000 1.287 56 G CA -0.766 44.504 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.411 119.980 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 57 E C -1.061 175.791 176.600 0.420 0.000 1.029 57 E CA 0.037 56.626 56.400 0.314 0.000 0.872 57 E CB 0.774 30.574 29.700 0.167 0.000 1.015 57 E HN 0.390 nan 8.360 nan 0.000 0.417 58 W N 1.399 122.774 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 -0.000 0.000 0.347 58 W C -0.570 176.050 176.519 0.169 0.000 1.219 58 W CA -0.689 56.759 57.345 0.171 0.000 1.142 58 W CB 1.005 30.615 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.605 122.363 120.500 0.430 0.000 2.460 59 R HA 0.643 4.982 4.340 -0.000 0.000 0.303 59 R C -1.519 174.971 176.300 0.317 0.000 0.968 59 R CA -0.834 55.448 56.100 0.304 0.000 0.889 59 R CB 1.989 32.410 30.300 0.201 0.000 1.123 59 R HN 0.369 nan 8.270 nan 0.000 0.455 60 F N 1.124 121.072 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.224 4.527 -0.000 0.000 0.316 60 F C -1.387 174.263 175.800 -0.250 0.000 1.076 60 F CA -0.683 57.173 58.000 -0.240 0.000 0.921 60 F CB 2.089 40.803 39.000 -0.477 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.471 126.335 122.820 -1.595 0.000 2.517 61 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 61 A C -2.422 174.281 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.784 52.037 -1.223 0.000 0.694 61 A CB 0.525 19.220 19.000 -0.510 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.648 123.171 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 -0.000 0.000 0.330 62 W C -1.901 174.140 176.519 -0.796 0.000 1.063 62 W CA -0.438 56.365 57.345 -0.903 0.000 1.222 62 W CB 1.205 30.320 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.795 125.100 119.950 -1.075 0.000 2.578 63 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 63 F C -1.388 173.539 175.800 -1.454 0.000 1.094 63 F CA -2.670 54.816 58.000 -0.857 0.000 0.923 63 F CB 1.478 40.156 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.026 nan 4.420 nan 0.000 0.225 64 P C -0.184 177.016 177.300 -0.167 0.000 1.148 64 P CA 1.119 64.037 63.100 -0.304 0.000 0.779 64 P CB 0.548 32.317 31.700 0.115 0.000 0.780 65 A N -1.245 121.478 122.820 -0.161 0.000 2.599 65 A HA 0.503 4.823 4.320 -0.000 0.000 0.294 65 A C -2.411 175.071 177.584 -0.170 0.000 1.055 65 A CA -1.003 50.969 52.037 -0.107 0.000 0.683 65 A CB 0.488 19.488 19.000 -0.001 0.000 1.278 65 A HN -0.289 nan 8.150 nan 0.000 0.412 66 P HA -0.145 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.079 177.300 -0.185 0.000 1.153 66 P CA 1.773 64.724 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.724 31.700 -0.291 0.000 0.788 67 E N 0.709 120.865 120.200 -0.073 0.000 2.070 67 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 67 E C 2.271 178.830 176.600 -0.068 0.000 1.004 67 E CA 1.757 58.139 56.400 -0.031 0.000 0.805 67 E CB -1.284 28.434 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.113 123.898 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 68 A C 0.995 178.466 177.584 -0.188 0.000 1.159 68 A CA 0.560 52.593 52.037 -0.006 0.000 0.662 68 A CB -0.599 18.494 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.968 121.597 119.914 -0.475 0.000 2.655 69 V HA 0.209 4.329 4.120 -0.000 0.000 0.300 69 V C -2.068 173.844 176.094 -0.302 0.000 1.044 69 V CA -1.196 60.656 62.300 -0.747 0.000 1.095 69 V CB 0.634 31.897 31.823 -0.933 0.000 0.952 69 V HN 0.352 nan 8.190 nan 0.000 0.485 70 P HA 0.337 nan 4.420 nan 0.000 0.296 70 P C 0.390 177.681 177.300 -0.016 0.000 1.306 70 P CA -0.547 62.523 63.100 -0.050 0.000 0.818 70 P CB 1.641 33.357 31.700 0.027 0.000 0.969 71 E N 1.873 122.055 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 71 E C 1.633 178.201 176.600 -0.053 0.000 1.016 71 E CA 2.416 58.788 56.400 -0.047 0.000 0.817 71 E CB -0.273 29.399 29.700 -0.046 0.000 0.736 71 E HN 0.453 nan 8.360 nan 0.000 0.462 72 S N -0.232 115.460 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 72 S C 1.441 176.025 174.600 -0.027 0.000 1.025 72 S CA 1.046 59.237 58.200 -0.016 0.000 0.993 72 S CB -0.734 62.480 63.200 0.024 0.000 0.808 72 S HN 0.545 nan 8.310 nan 0.000 0.478 73 W N 2.731 123.942 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 -0.000 0.000 0.301 73 W C 1.594 177.996 176.519 -0.196 0.000 1.220 73 W CA 1.044 58.290 57.345 -0.165 0.000 1.240 73 W CB -0.667 28.663 29.460 -0.217 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.046 120.961 121.223 -0.513 0.000 2.083 74 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 74 L C 2.620 179.206 176.870 -0.474 0.000 1.083 74 L CA 1.523 55.941 54.840 -0.704 0.000 0.752 74 L CB -0.749 40.971 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.095 118.928 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 75 E C 0.347 176.854 176.600 -0.155 0.000 0.969 75 E CA 0.512 56.803 56.400 -0.181 0.000 0.812 75 E CB 0.111 29.744 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.545 120.770 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 -0.000 0.000 0.308 76 C C -0.077 174.906 174.990 -0.012 0.000 1.201 76 C CA -1.326 57.654 59.018 -0.064 0.000 1.554 76 C CB 1.681 29.408 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.196 121.609 120.400 0.021 0.000 2.378 77 D HA 0.238 4.878 4.640 -0.000 0.000 0.238 77 D C -0.048 176.329 176.300 0.128 0.000 1.180 77 D CA 0.420 54.485 54.000 0.108 0.000 0.895 77 D CB 0.607 41.459 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.235 123.560 121.223 0.168 0.000 2.439 78 L HA 0.203 4.543 4.340 -0.000 0.000 0.259 78 L C -1.107 175.802 176.870 0.065 0.000 1.129 78 L CA -1.567 53.342 54.840 0.115 0.000 0.803 78 L CB 0.582 42.711 42.059 0.115 0.000 1.161 78 L HN 0.236 nan 8.230 nan 0.000 0.462 79 P HA -0.087 nan 4.420 nan 0.000 0.215 79 P C 0.574 177.884 177.300 0.018 0.000 1.157 79 P CA 1.059 64.176 63.100 0.027 0.000 0.856 79 P CB 0.159 31.871 31.700 0.020 0.000 0.786 80 E N 0.035 120.239 120.200 0.005 0.000 2.485 80 E HA 0.275 4.625 4.350 -0.000 0.000 0.194 80 E C 0.707 177.291 176.600 -0.026 0.000 1.098 80 E CA -0.128 56.261 56.400 -0.018 0.000 0.878 80 E CB -0.680 28.993 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.131 123.951 122.820 -0.001 0.000 2.351 81 A HA 0.207 4.527 4.320 -0.000 0.000 0.257 81 A C -0.095 177.513 177.584 0.040 0.000 1.087 81 A CA -0.427 51.609 52.037 -0.001 0.000 0.798 81 A CB 0.491 19.518 19.000 0.046 0.000 1.033 81 A HN 0.061 nan 8.150 nan 0.000 0.488 82 D N 0.004 120.449 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 82 D C -0.745 175.640 176.300 0.143 0.000 0.982 82 D CA -0.098 53.977 54.000 0.125 0.000 0.924 82 D CB 1.740 42.668 40.800 0.214 0.000 1.238 82 D HN 0.418 nan 8.370 nan 0.000 0.484 83 T N 0.873 115.498 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 -0.000 0.000 0.286 83 T C -0.124 174.644 174.700 0.114 0.000 0.973 83 T CA -0.389 61.788 62.100 0.127 0.000 1.035 83 T CB 1.052 69.977 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.249 123.258 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 84 V C -0.382 175.810 176.094 0.164 0.000 1.138 84 V CA -0.954 61.404 62.300 0.098 0.000 1.007 84 V CB 2.440 34.314 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.389 122.368 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 85 V C -0.203 175.941 176.094 0.085 0.000 1.047 85 V CA -0.378 61.995 62.300 0.122 0.000 0.952 85 V CB 1.553 33.422 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.041 126.950 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 86 V C -2.246 173.757 176.094 -0.152 0.000 1.035 86 V CA -1.570 60.605 62.300 -0.210 0.000 0.873 86 V CB 2.659 34.027 31.823 -0.758 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.657 nan 4.420 nan 0.000 0.281 87 P C -0.991 176.266 177.300 -0.072 0.000 1.264 87 P CA -0.372 62.636 63.100 -0.154 0.000 0.824 87 P CB 1.848 33.458 31.700 -0.150 0.000 1.092 88 S N -0.554 115.128 115.700 -0.030 0.000 2.656 88 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 88 S C -1.522 173.065 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.186 58.200 -0.032 0.000 0.821 88 S CB 0.007 63.213 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.979 119.589 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 -0.000 0.000 0.283 89 N C 0.385 175.767 175.510 -0.214 0.000 1.003 89 N CA -0.734 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.796 39.103 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.737 123.921 121.300 -0.194 0.000 2.425 90 W HA -0.060 4.600 4.660 -0.000 0.000 0.277 90 W C 0.863 177.368 176.519 -0.023 0.000 1.231 90 W CA 0.901 58.144 57.345 -0.170 0.000 1.248 90 W CB -0.368 28.906 29.460 -0.310 0.000 1.117 90 W HN 0.485 nan 8.180 nan 0.000 0.568 91 Q N 0.419 120.218 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 1.981 177.957 176.000 -0.039 0.000 0.976 91 Q CA 1.517 57.342 55.803 0.035 0.000 0.875 91 Q CB -0.685 27.951 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.780 118.717 119.600 -0.172 0.000 2.630 92 M HA -0.043 4.436 4.480 -0.000 0.000 0.254 92 M C 0.326 176.559 176.300 -0.113 0.000 1.092 92 M CA 1.230 56.393 55.300 -0.227 0.000 1.087 92 M CB -0.540 31.846 32.600 -0.357 0.000 1.453 92 M HN 0.329 nan 8.290 nan 0.000 0.509 93 H N -1.754 117.376 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 -0.000 0.000 0.275 93 H C 1.275 176.510 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.181 56.048 0.054 0.000 1.097 93 H CB 0.540 30.464 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.580 109.402 108.800 0.036 0.000 2.199 94 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.254 94 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.254 94 G C 0.632 175.433 174.900 -0.165 0.000 0.982 94 G CA 0.627 45.664 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.999 122.320 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 -0.000 0.000 0.284 95 Y C 1.761 177.452 175.900 -0.349 0.000 1.166 95 Y CA 1.750 59.736 58.100 -0.190 0.000 1.163 95 Y CB -0.189 38.156 38.460 -0.192 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.581 117.940 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 -0.000 0.000 0.327 96 D C -1.183 175.236 176.300 0.198 0.000 1.302 96 D CA -0.700 53.418 54.000 0.196 0.000 0.897 96 D CB 0.651 41.717 40.800 0.444 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.295 122.643 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 -0.000 0.000 0.283 97 A C -2.402 175.231 177.584 0.081 0.000 1.127 97 A CA -1.059 51.071 52.037 0.155 0.000 0.810 97 A CB 0.016 19.153 19.000 0.227 0.000 1.066 97 A HN 0.478 nan 8.150 nan 0.000 0.492 98 P HA 0.568 nan 4.420 nan 0.000 0.286 98 P C -1.049 176.381 177.300 0.216 0.000 1.261 98 P CA -0.199 62.843 63.100 -0.097 0.000 0.821 98 P CB 0.967 32.344 31.700 -0.538 0.000 1.013 99 I N 2.387 123.179 120.570 0.369 0.000 2.474 99 I HA 0.320 4.490 4.170 -0.000 0.000 0.294 99 I C -0.440 175.894 176.117 0.361 0.000 1.005 99 I CA -0.810 60.723 61.300 0.387 0.000 1.113 99 I CB 1.466 39.614 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.390 125.684 120.300 -0.011 0.000 2.712 100 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 100 Y C -0.343 175.417 175.900 -0.234 0.000 0.995 100 Y CA -0.292 57.515 58.100 -0.489 0.000 1.283 100 Y CB 0.905 38.415 38.460 -1.584 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.179 118.213 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 -0.000 0.000 0.288 101 T C 0.370 174.587 174.700 -0.805 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.416 70.061 68.868 -0.373 0.000 1.034 101 T HN 0.869 nan 8.240 nan 0.000 0.467 102 N N 2.027 120.331 118.700 -0.661 0.000 2.324 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 102 N C 1.359 176.618 175.510 -0.419 0.000 1.046 102 N CA 0.559 53.361 53.050 -0.414 0.000 0.898 102 N CB 0.261 38.528 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.395 119.987 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 -0.000 0.000 0.239 103 V C 0.550 176.308 176.094 -0.560 0.000 1.077 103 V CA 0.661 62.541 62.300 -0.700 0.000 1.103 103 V CB -0.018 31.354 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.337 115.640 114.554 -0.418 0.000 2.867 104 T HA 0.130 4.480 4.350 -0.000 0.000 0.297 104 T C -0.409 174.139 174.700 -0.253 0.000 0.989 104 T CA 0.358 62.286 62.100 -0.287 0.000 1.159 104 T CB -0.335 68.406 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.790 124.987 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 -0.000 0.000 0.332 105 Y C -0.999 174.770 175.900 -0.219 0.000 1.201 105 Y CA -1.861 56.126 58.100 -0.188 0.000 1.465 105 Y CB 0.398 38.748 38.460 -0.183 0.000 1.283 105 Y HN 0.560 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.186 177.301 177.300 -0.307 0.000 1.149 106 P CA 1.346 64.334 63.100 -0.187 0.000 0.817 106 P CB 0.174 31.738 31.700 -0.226 0.000 0.785 107 I N -4.521 115.784 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 -0.000 0.000 0.310 107 I C -0.445 175.535 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.041 61.300 -0.448 0.000 1.023 107 I CB 1.278 38.837 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.345 116.806 114.554 -0.154 0.000 2.907 108 T HA 0.247 4.596 4.350 -0.000 0.000 0.298 108 T C 0.122 174.812 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.656 62.100 -0.052 0.000 1.118 108 T CB 1.067 69.931 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.343 124.270 119.914 0.022 0.000 2.352 109 V HA 0.269 4.388 4.120 -0.000 0.000 0.253 109 V C 0.651 176.808 176.094 0.105 0.000 1.083 109 V CA -0.269 62.074 62.300 0.072 0.000 0.993 109 V CB -0.614 31.238 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.315 124.139 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 -0.000 0.000 0.240 110 N C -2.974 172.622 175.510 0.143 0.000 1.537 110 N CA -1.185 51.973 53.050 0.180 0.000 0.793 110 N CB 1.462 40.106 38.487 0.260 0.000 1.391 110 N HN 0.284 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.348 174.653 177.300 -0.498 0.000 1.195 111 P CA -0.738 61.918 63.100 -0.741 0.000 0.768 111 P CB 0.369 31.374 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.743 176.420 177.300 -0.227 0.000 1.708 112 P CA -0.276 62.576 63.100 -0.414 0.000 1.062 112 P CB -0.286 31.183 31.700 -0.385 0.000 1.562 113 F N -0.366 119.719 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 -0.000 0.000 0.345 113 F C 1.054 177.031 175.800 0.294 0.000 1.110 113 F CA -1.173 56.965 58.000 0.230 0.000 1.130 113 F CB 1.299 40.376 39.000 0.128 0.000 1.129 113 F HN -0.291 nan 8.300 nan 0.000 0.500 114 V N 4.208 124.419 119.914 0.496 0.000 2.863 114 V HA 0.344 4.464 4.120 -0.000 0.000 0.307 114 V C -1.856 174.424 176.094 0.310 0.000 1.061 114 V CA -1.795 60.722 62.300 0.361 0.000 1.024 114 V CB 1.516 33.649 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.048 63.257 63.100 0.182 0.000 0.790 115 P CB 0.604 32.370 31.700 0.109 0.000 0.951 116 T N -0.263 114.406 114.554 0.192 0.000 2.759 116 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 116 T C 0.313 175.128 174.700 0.190 0.000 1.042 116 T CA 1.258 63.471 62.100 0.188 0.000 1.140 116 T CB -0.638 68.306 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.821 123.137 120.200 0.194 0.000 1.963 117 E HA 0.429 4.778 4.350 -0.000 0.000 0.274 117 E C -0.671 176.084 176.600 0.259 0.000 1.061 117 E CA -0.314 56.202 56.400 0.192 0.000 0.847 117 E CB 0.442 30.260 29.700 0.198 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.349 122.155 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 -0.000 0.000 0.275 118 N C -2.818 172.666 175.510 -0.043 0.000 1.053 118 N CA -2.682 50.473 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.721 176.457 177.300 -0.203 0.000 1.170 119 P CA 0.586 63.583 63.100 -0.172 0.000 0.806 119 P CB -0.041 31.843 31.700 0.306 0.000 0.775 120 T N 2.763 116.994 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.930 4.350 -0.000 0.000 0.282 120 T C 0.598 174.883 174.700 -0.691 0.000 0.990 120 T CA -0.469 61.376 62.100 -0.426 0.000 1.028 120 T CB 1.528 70.153 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.974 109.515 108.800 -0.432 0.000 2.605 121 G HA2 0.487 4.447 3.960 -0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 -0.000 0.000 0.304 121 G C -0.380 174.460 174.900 -0.100 0.000 1.333 121 G CA -0.487 44.356 45.100 -0.429 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.073 122.028 119.300 -0.575 0.000 2.246 122 C HA 0.513 4.973 4.460 -0.000 0.000 0.329 122 C C -0.576 174.360 174.990 -0.090 0.000 1.221 122 C CA -1.140 57.527 59.018 -0.584 0.000 1.697 122 C CB -1.700 25.032 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.698 122.212 120.300 0.356 0.000 2.387 123 Y HA 0.628 5.178 4.550 -0.000 0.000 0.336 123 Y C 0.726 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.512 57.955 58.100 0.613 0.000 1.114 123 Y CB 1.381 40.198 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.080 119.276 115.700 0.825 0.000 2.546 124 S HA 0.832 5.301 4.470 -0.000 0.000 0.274 124 S C -1.557 173.124 174.600 0.135 0.000 1.121 124 S CA -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.341 65.780 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.828 121.983 121.223 -0.113 0.000 2.565 125 L HA 0.663 5.003 4.340 -0.000 0.000 0.261 125 L C -1.536 175.303 176.870 -0.052 0.000 0.932 125 L CA 0.004 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.397 42.059 -1.422 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.300 119.842 114.554 -0.021 0.000 2.771 126 T HA 0.780 5.130 4.350 -0.000 0.000 0.281 126 T C -0.883 173.909 174.700 0.154 0.000 0.982 126 T CA -0.080 62.055 62.100 0.058 0.000 0.978 126 T CB 0.617 69.465 68.868 -0.035 0.000 0.930 126 T HN 0.488 nan 8.240 nan 0.000 0.447 127 F N 0.678 120.548 119.950 -0.135 0.000 2.741 127 F HA 0.693 5.220 4.527 -0.000 0.000 0.313 127 F C -1.043 174.699 175.800 -0.096 0.000 1.153 127 F CA -1.509 56.417 58.000 -0.122 0.000 0.931 127 F CB 1.260 40.177 39.000 -0.139 0.000 1.335 127 F HN 0.273 nan 8.300 nan 0.000 0.460 128 N N -0.131 118.520 118.700 -0.081 0.000 2.466 128 N HA 0.751 5.490 4.740 -0.000 0.000 0.294 128 N C -1.739 173.720 175.510 -0.085 0.000 1.129 128 N CA -0.621 52.338 53.050 -0.152 0.000 0.931 128 N CB 2.214 40.641 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.958 120.779 119.914 -0.154 0.000 2.577 129 V HA 0.260 4.380 4.120 -0.000 0.000 0.303 129 V C -0.585 175.383 176.094 -0.211 0.000 1.042 129 V CA -1.030 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.542 33.323 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.402 123.577 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 -0.000 0.000 0.241 130 D C 1.274 177.490 176.300 -0.139 0.000 1.138 130 D CA 0.179 54.008 54.000 -0.285 0.000 0.877 130 D CB 1.301 41.882 40.800 -0.366 0.000 1.187 130 D HN 0.820 nan 8.370 nan 0.000 0.451 131 E N 2.589 122.755 120.200 -0.057 0.000 2.274 131 E HA -0.203 4.146 4.350 -0.000 0.000 0.194 131 E C 1.398 178.038 176.600 0.066 0.000 0.996 131 E CA 0.916 57.324 56.400 0.014 0.000 0.840 131 E CB -0.172 29.533 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.333 116.067 115.700 0.055 0.000 2.380 132 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 132 S C 1.556 176.260 174.600 0.172 0.000 1.043 132 S CA 1.486 59.752 58.200 0.109 0.000 1.038 132 S CB -0.745 62.526 63.200 0.119 0.000 0.872 132 S HN 0.538 nan 8.310 nan 0.000 0.456 133 W N 1.214 122.382 121.300 -0.220 0.000 2.402 133 W HA 0.241 4.901 4.660 -0.000 0.000 0.286 133 W C 2.273 178.749 176.519 -0.072 0.000 1.221 133 W CA 0.133 57.219 57.345 -0.431 0.000 1.257 133 W CB -0.962 28.269 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.273 121.091 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 4.340 -0.000 0.000 0.214 134 L C 2.246 179.197 176.870 0.135 0.000 1.120 134 L CA 0.987 55.933 54.840 0.176 0.000 0.799 134 L CB -0.357 41.771 42.059 0.116 0.000 0.925 134 L HN 0.027 nan 8.230 nan 0.000 0.446 135 Q N -0.324 119.549 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 -0.000 0.000 0.219 135 Q C 0.898 176.959 176.000 0.103 0.000 0.975 135 Q CA 0.964 56.823 55.803 0.094 0.000 0.862 135 Q CB -0.114 28.671 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.674 120.946 120.200 0.120 0.000 2.292 136 E HA 0.399 4.748 4.350 -0.000 0.000 0.258 136 E C 0.489 177.187 176.600 0.164 0.000 1.115 136 E CA 0.136 56.603 56.400 0.111 0.000 0.929 136 E CB 0.477 30.227 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.600 109.421 108.800 0.036 0.000 2.645 137 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G C -0.830 173.973 174.900 -0.161 0.000 1.331 137 G CA 0.241 45.249 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.572 118.973 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 -0.000 0.000 0.271 138 Q C -1.323 174.533 176.000 -0.240 0.000 1.064 138 Q CA -0.453 55.214 55.803 -0.227 0.000 0.800 138 Q CB 1.980 30.637 28.738 -0.136 0.000 1.304 138 Q HN 0.652 nan 8.270 nan 0.000 0.438 139 T N 4.732 119.297 114.554 0.018 0.000 2.815 139 T HA 0.517 4.867 4.350 -0.000 0.000 0.289 139 T C -0.749 174.031 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.679 69.745 68.868 0.330 0.000 0.944 139 T HN 0.640 nan 8.240 nan 0.000 0.442 140 R N 3.319 123.877 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 -0.000 0.000 0.271 140 R C -1.257 175.109 176.300 0.109 0.000 0.994 140 R CA -0.974 55.197 56.100 0.118 0.000 0.945 140 R CB 1.672 32.028 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.653 123.291 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 -0.000 0.000 0.301 141 I C -1.077 175.036 176.117 -0.006 0.000 0.992 141 I CA -1.466 59.845 61.300 0.018 0.000 1.162 141 I CB 1.601 39.600 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.460 126.904 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 142 I C -1.360 174.492 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.782 61.300 -0.192 0.000 1.056 142 I CB 1.863 39.805 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.334 124.282 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 -0.000 0.000 0.367 143 F C 1.326 177.022 175.800 -0.173 0.000 1.115 143 F CA -0.431 57.496 58.000 -0.122 0.000 1.116 143 F CB 0.735 39.639 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.361 122.703 120.400 -0.097 0.000 2.264 144 D HA 0.056 4.696 4.640 -0.000 0.000 0.208 144 D C 0.952 177.098 176.300 -0.258 0.000 0.966 144 D CA 0.907 54.801 54.000 -0.176 0.000 0.864 144 D CB 0.365 41.024 40.800 -0.236 0.000 0.933 144 D HN 0.663 nan 8.370 nan 0.000 0.499 145 G N -0.707 107.867 108.800 -0.376 0.000 2.617 145 G HA2 0.408 4.368 3.960 -0.000 0.000 0.305 145 G HA3 0.408 4.368 3.960 -0.000 0.000 0.305 145 G C -1.589 172.848 174.900 -0.771 0.000 1.436 145 G CA -0.526 44.179 45.100 -0.657 0.000 1.036 145 G HN -0.059 nan 8.290 nan 0.000 0.589 146 V N 2.430 122.126 119.914 -0.363 0.000 2.567 146 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 146 V C -0.803 175.341 176.094 0.084 0.000 1.047 146 V CA -1.167 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.835 33.259 31.823 -0.666 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.559 121.372 118.700 0.188 0.000 2.392 147 N HA 0.378 5.118 4.740 -0.000 0.000 0.283 147 N C 0.710 176.179 175.510 -0.068 0.000 1.003 147 N CA 0.171 53.263 53.050 0.070 0.000 0.892 147 N CB 2.407 40.856 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.243 117.926 115.700 -0.028 0.000 2.514 148 S HA 0.509 4.978 4.470 -0.000 0.000 0.223 148 S C 0.485 175.149 174.600 0.107 0.000 1.046 148 S CA 0.282 58.516 58.200 0.057 0.000 0.914 148 S CB 0.162 63.414 63.200 0.087 0.000 0.807 148 S HN 0.706 nan 8.310 nan 0.000 0.497 149 A N 0.716 123.610 122.820 0.123 0.000 2.566 149 A HA 0.849 5.169 4.320 -0.000 0.000 0.292 149 A C -1.168 176.560 177.584 0.240 0.000 1.112 149 A CA -0.968 51.133 52.037 0.106 0.000 0.707 149 A CB 1.079 20.162 19.000 0.138 0.000 1.302 149 A HN 1.218 nan 8.150 nan 0.000 0.409 150 F N -0.984 118.832 119.950 -0.224 0.000 2.746 150 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 150 F C -1.464 174.323 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.874 39.811 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.947 121.192 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 -0.000 0.000 0.343 151 H C -1.350 174.059 175.328 0.135 0.000 1.160 151 H CA -0.677 55.489 56.048 0.197 0.000 1.218 151 H CB 2.325 32.273 29.762 0.309 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.908 123.037 121.223 -0.157 0.000 2.455 152 L HA 0.409 4.748 4.340 -0.000 0.000 0.264 152 L C -1.870 174.716 176.870 -0.474 0.000 0.968 152 L CA -0.508 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.872 43.789 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.031 125.303 121.300 -0.047 0.000 2.864 153 W HA 0.649 5.309 4.660 -0.000 0.000 0.343 153 W C -1.163 175.288 176.519 -0.114 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.113 31.546 29.460 -0.045 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.739 124.121 119.300 0.137 0.000 2.446 154 C HA 0.294 4.754 4.460 -0.000 0.000 0.329 154 C C 0.014 175.112 174.990 0.181 0.000 1.166 154 C CA -0.430 58.644 59.018 0.092 0.000 1.341 154 C CB -0.613 27.096 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.869 122.639 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 155 N C 1.010 176.582 175.510 0.103 0.000 1.031 155 N CA 2.013 55.110 53.050 0.078 0.000 0.720 155 N CB -1.287 37.246 38.487 0.077 0.000 0.930 155 N HN 1.895 nan 8.380 nan 0.000 0.543 156 G N -1.205 107.641 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G C 0.232 175.310 174.900 0.296 0.000 0.987 156 G CA 0.663 45.802 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.729 120.013 120.500 0.402 0.000 2.297 157 R HA 0.432 4.771 4.340 -0.000 0.000 0.308 157 R C -0.050 176.570 176.300 0.534 0.000 1.029 157 R CA -0.873 55.542 56.100 0.525 0.000 0.929 157 R CB 0.607 31.234 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.103 125.551 121.300 0.246 0.000 2.251 158 W HA 0.069 4.729 4.660 -0.000 0.000 0.327 158 W C -0.066 176.287 176.519 -0.276 0.000 1.361 158 W CA 0.057 57.123 57.345 -0.466 0.000 1.234 158 W CB 0.625 29.838 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.953 123.940 119.914 -1.546 0.000 2.840 159 V HA 0.585 4.705 4.120 -0.000 0.000 0.234 159 V C 0.971 176.014 176.094 -1.750 0.000 1.159 159 V CA 0.848 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.331 30.791 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.698 105.905 108.800 -1.995 0.000 2.489 160 G HA2 0.507 4.467 3.960 -0.000 0.000 0.305 160 G HA3 0.507 4.467 3.960 -0.000 0.000 0.305 160 G C -2.455 172.172 174.900 -0.455 0.000 1.311 160 G CA -0.263 44.119 45.100 -1.196 0.000 0.813 160 G HN 0.033 nan 8.290 nan 0.000 0.480 161 Y N -0.684 119.501 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 -0.000 0.000 0.343 161 Y C -0.076 175.663 175.900 -0.268 0.000 1.065 161 Y CA -0.087 57.810 58.100 -0.338 0.000 1.038 161 Y CB 2.260 40.635 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.090 111.111 108.800 -1.298 0.000 2.720 162 G HA2 0.575 4.535 3.960 -0.000 0.000 0.295 162 G HA3 0.575 4.535 3.960 -0.000 0.000 0.295 162 G C -2.229 172.215 174.900 -0.761 0.000 1.437 162 G CA -0.939 43.677 45.100 -0.807 0.000 0.886 162 G HN 0.620 nan 8.290 nan 0.000 0.509 163 Q N -0.217 119.385 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 -0.000 0.000 0.293 163 Q C -1.401 174.595 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.796 31.503 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.122 120.312 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 164 D C -0.330 176.029 176.300 0.099 0.000 1.104 164 D CA 0.666 54.717 54.000 0.084 0.000 1.101 164 D CB -0.684 40.153 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.453 119.229 115.700 0.127 0.000 2.469 165 S HA -0.135 4.334 4.470 -0.000 0.000 0.238 165 S C 1.635 176.353 174.600 0.196 0.000 0.998 165 S CA 0.690 58.993 58.200 0.172 0.000 0.957 165 S CB 0.157 63.458 63.200 0.169 0.000 0.764 165 S HN 0.559 nan 8.310 nan 0.000 0.514 166 R N 0.027 120.613 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 -0.000 0.000 0.212 166 R C 0.044 176.400 176.300 0.092 0.000 0.897 166 R CA 0.096 56.279 56.100 0.139 0.000 1.056 166 R CB -0.067 30.335 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.337 122.593 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 167 L C -2.296 174.561 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.433 54.840 0.009 0.000 0.818 167 L CB 1.840 43.897 42.059 -0.003 0.000 1.326 167 L HN -0.239 nan 8.230 nan 0.000 0.435 168 P HA 0.118 nan 4.420 nan 0.000 0.271 168 P C -1.119 176.166 177.300 -0.025 0.000 1.218 168 P CA -0.180 62.889 63.100 -0.052 0.000 0.780 168 P CB 0.877 32.509 31.700 -0.113 0.000 0.901 169 S N 1.414 117.157 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 -0.000 0.000 0.304 169 S C -0.639 173.984 174.600 0.038 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.048 64.401 63.200 0.255 0.000 1.019 169 S HN 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.911 121.931 120.200 -0.300 0.000 2.266 170 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 170 E C -1.515 174.772 176.600 -0.521 0.000 0.879 170 E CA -0.669 55.615 56.400 -0.192 0.000 0.762 170 E CB 1.691 31.374 29.700 -0.028 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.064 119.950 0.086 0.000 2.588 171 F HA 0.265 4.791 4.527 -0.000 0.000 0.310 171 F C -0.208 175.615 175.800 0.039 0.000 1.082 171 F CA -1.304 56.720 58.000 0.041 0.000 0.929 171 F CB 1.195 40.187 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.179 122.734 120.400 0.258 0.000 2.336 172 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 172 D C 0.519 176.950 176.300 0.218 0.000 1.213 172 D CA 0.348 54.464 54.000 0.194 0.000 0.870 172 D CB 0.964 41.864 40.800 0.167 0.000 1.076 172 D HN 0.594 nan 8.370 nan 0.000 0.483 173 L N 2.532 123.881 121.223 0.211 0.000 2.477 173 L HA -0.052 4.288 4.340 -0.000 0.000 0.220 173 L C 2.208 179.318 176.870 0.400 0.000 1.106 173 L CA -0.046 54.941 54.840 0.246 0.000 0.851 173 L CB -0.076 42.103 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.125 116.997 115.700 0.287 0.000 2.461 174 S HA -0.365 4.105 4.470 -0.000 0.000 0.266 174 S C 1.789 176.514 174.600 0.208 0.000 1.138 174 S CA 2.127 60.462 58.200 0.224 0.000 1.146 174 S CB -0.315 62.974 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.002 121.950 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 -0.000 0.000 0.212 175 A C 0.961 178.445 177.584 -0.167 0.000 1.213 175 A CA 0.146 52.160 52.037 -0.039 0.000 0.840 175 A CB -0.267 18.567 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.055 118.934 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 -0.000 0.000 0.323 176 F C 0.469 176.301 175.800 0.053 0.000 1.091 176 F CA -0.678 57.357 58.000 0.058 0.000 1.192 176 F CB -0.034 39.003 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.820 123.210 121.223 0.278 0.000 2.417 177 L HA 0.422 4.762 4.340 -0.000 0.000 0.268 177 L C 0.259 177.182 176.870 0.088 0.000 1.158 177 L CA -0.206 54.735 54.840 0.167 0.000 0.819 177 L CB 0.788 42.964 42.059 0.196 0.000 1.112 177 L HN 0.020 nan 8.230 nan 0.000 0.458 178 R N 1.259 121.772 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 178 R C -0.686 175.592 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.840 32.119 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.907 123.709 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 -0.000 0.000 0.248 179 A C 0.943 178.477 177.584 -0.084 0.000 1.082 179 A CA 0.839 52.848 52.037 -0.047 0.000 0.785 179 A CB -0.118 18.864 19.000 -0.030 0.000 1.020 179 A HN 0.897 nan 8.150 nan 0.000 0.489 180 G N 0.807 109.543 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.363 45.386 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.407 122.494 120.200 -0.189 0.000 2.265 181 E HA 0.267 4.617 4.350 -0.000 0.000 0.272 181 E C -0.064 176.335 176.600 -0.335 0.000 1.067 181 E CA -0.032 56.219 56.400 -0.249 0.000 0.900 181 E CB 0.011 29.612 29.700 -0.164 0.000 1.017 181 E HN 0.387 nan 8.360 nan 0.000 0.431 182 N N 3.083 121.412 118.700 -0.619 0.000 2.328 182 N HA 0.415 5.155 4.740 -0.000 0.000 0.299 182 N C -0.759 174.430 175.510 -0.535 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.206 40.151 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.612 121.997 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 -0.000 0.000 0.292 183 R C -1.316 175.055 176.300 0.118 0.000 1.008 183 R CA -0.477 55.623 56.100 0.000 0.000 0.896 183 R CB 1.065 31.326 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.943 124.300 121.223 0.222 0.000 2.325 184 L HA 0.726 5.065 4.340 -0.000 0.000 0.279 184 L C -0.073 176.886 176.870 0.148 0.000 1.054 184 L CA -0.915 54.049 54.840 0.206 0.000 0.804 184 L CB 1.811 44.018 42.059 0.247 0.000 1.200 184 L HN 0.664 nan 8.230 nan 0.000 0.436 185 A N 3.232 126.143 122.820 0.152 0.000 2.375 185 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 185 A C -0.868 177.028 177.584 0.519 0.000 1.160 185 A CA -0.441 51.627 52.037 0.053 0.000 0.747 185 A CB 1.334 19.757 19.000 -0.962 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.433 123.820 119.914 0.789 0.000 2.357 186 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.834 0.000 1.018 186 V CA -0.313 62.432 62.300 0.741 0.000 0.841 186 V CB 1.344 33.425 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.120 126.212 119.600 0.821 0.000 2.088 187 M HA 0.600 5.080 4.480 -0.000 0.000 0.346 187 M C -1.436 175.119 176.300 0.424 0.000 1.111 187 M CA -0.331 55.287 55.300 0.529 0.000 1.017 187 M CB 1.287 34.240 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.737 126.842 119.914 0.317 0.000 2.483 188 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 188 V C -0.208 176.037 176.094 0.251 0.000 1.035 188 V CA -0.775 61.704 62.300 0.298 0.000 0.896 188 V CB 1.569 33.590 31.823 0.330 0.000 0.986 188 V HN 0.816 nan 8.190 nan 0.000 0.447 189 L N 3.091 124.406 121.223 0.153 0.000 2.334 189 L HA 0.664 5.004 4.340 -0.000 0.000 0.276 189 L C 1.194 178.027 176.870 -0.062 0.000 1.014 189 L CA -0.782 54.077 54.840 0.031 0.000 0.815 189 L CB 1.566 43.540 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.610 121.972 120.500 -0.230 0.000 2.075 190 R HA -0.007 4.333 4.340 -0.000 0.000 0.230 190 R C -0.278 175.637 176.300 -0.640 0.000 1.140 190 R CA 1.755 57.423 56.100 -0.720 0.000 0.928 190 R CB 0.063 29.589 30.300 -1.290 0.000 0.834 190 R HN 0.628 nan 8.270 nan 0.000 0.429 191 W N 0.293 121.647 121.300 0.091 0.000 2.449 191 W HA 0.320 4.980 4.660 -0.000 0.000 0.331 191 W C 0.060 176.689 176.519 0.182 0.000 1.119 191 W CA -0.788 56.621 57.345 0.106 0.000 1.240 191 W CB 1.312 30.837 29.460 0.108 0.000 1.251 191 W HN 0.084 nan 8.180 nan 0.000 0.576 192 S N -1.010 114.975 115.700 0.474 0.000 2.643 192 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 192 S C 0.062 174.914 174.600 0.420 0.000 1.166 192 S CA -0.511 57.975 58.200 0.477 0.000 0.815 192 S CB 1.232 64.671 63.200 0.398 0.000 1.139 192 S HN 0.614 nan 8.310 nan 0.000 0.472 193 D N 0.565 121.213 120.400 0.414 0.000 2.218 193 D HA 0.063 4.702 4.640 -0.000 0.000 0.204 193 D C 1.840 178.434 176.300 0.490 0.000 0.976 193 D CA 1.195 55.472 54.000 0.462 0.000 0.853 193 D CB -0.798 40.161 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.100 109.111 108.800 0.352 0.000 2.462 194 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 194 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 194 G C 1.742 176.818 174.900 0.293 0.000 1.121 194 G CA 0.875 46.155 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.109 115.755 115.700 0.273 0.000 2.383 195 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 195 S C 1.955 176.654 174.600 0.166 0.000 1.030 195 S CA 0.938 59.263 58.200 0.209 0.000 1.002 195 S CB -0.424 62.897 63.200 0.203 0.000 0.829 195 S HN 0.562 nan 8.310 nan 0.000 0.467 196 Y N 1.132 121.527 120.300 0.159 0.000 2.483 196 Y HA 0.026 4.576 4.550 -0.000 0.000 0.291 196 Y C 1.536 177.534 175.900 0.162 0.000 1.143 196 Y CA 0.620 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.155 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.012 121.402 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 -0.000 0.000 0.234 197 L C -0.002 177.010 176.870 0.237 0.000 1.156 197 L CA 0.370 55.355 54.840 0.241 0.000 0.946 197 L CB -0.005 42.191 42.059 0.228 0.000 1.216 197 L HN 0.204 nan 8.230 nan 0.000 0.493 198 E N -0.475 119.885 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 -0.000 0.000 0.211 198 E C -0.443 176.279 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.469 30.299 29.700 0.217 0.000 1.202 198 E HN 0.019 nan 8.360 nan 0.000 0.447 199 D N 1.384 121.871 120.400 0.145 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.221 176.083 176.300 0.007 0.000 1.192 199 D CA -0.010 53.964 54.000 -0.044 0.000 0.835 199 D CB 0.065 40.603 40.800 -0.437 0.000 0.975 199 D HN 0.082 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.400 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.409 4.340 -0.000 0.000 0.276 200 Q C -0.036 176.085 176.000 0.202 0.000 1.022 200 Q CA 0.171 56.125 55.803 0.253 0.000 0.898 200 Q CB 0.556 29.578 28.738 0.473 0.000 1.246 200 Q HN 0.053 nan 8.270 nan 0.000 0.410 201 D N 3.395 123.946 120.400 0.251 0.000 2.489 201 D HA 0.136 4.776 4.640 -0.000 0.000 0.237 201 D C -0.788 175.695 176.300 0.305 0.000 1.212 201 D CA 0.223 54.356 54.000 0.223 0.000 1.058 201 D CB -0.415 40.545 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.079 119.801 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 -0.000 0.000 0.271 202 M C -1.205 175.202 176.300 0.177 0.000 1.265 202 M CA -1.212 54.158 55.300 0.118 0.000 0.817 202 M CB 1.145 33.719 32.600 -0.043 0.000 1.638 202 M HN -0.104 nan 8.290 nan 0.000 0.479 203 W N 1.970 123.357 121.300 0.145 0.000 2.216 203 W HA 0.392 5.052 4.660 -0.000 0.000 0.326 203 W C 0.126 176.655 176.519 0.016 0.000 1.319 203 W CA -0.278 57.134 57.345 0.111 0.000 1.213 203 W CB 0.550 30.019 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 5.001 125.685 120.500 0.307 0.000 2.204 204 R HA 0.401 4.741 4.340 -0.000 0.000 0.341 204 R C -0.167 176.158 176.300 0.042 0.000 1.035 204 R CA -0.192 56.008 56.100 0.167 0.000 0.887 204 R CB 0.245 30.688 30.300 0.237 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.368 119.891 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 -0.000 0.000 0.271 205 M C -0.137 175.851 176.300 -0.520 0.000 1.013 205 M CA -0.728 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.995 34.390 32.600 -0.343 0.000 1.585 205 M HN 0.658 nan 8.290 nan 0.000 0.569 206 S N -1.352 113.922 115.700 -0.711 0.000 2.611 206 S HA 0.849 5.318 4.470 -0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.706 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.839 0.000 0.826 206 S CB 1.445 63.956 63.200 -1.148 0.000 1.095 206 S HN 1.428 nan 8.310 nan 0.000 0.461 207 G N 0.242 108.836 108.800 -0.343 0.000 2.318 207 G HA2 0.156 4.116 3.960 -0.000 0.000 0.367 207 G HA3 0.156 4.116 3.960 -0.000 0.000 0.367 207 G C -1.506 173.386 174.900 -0.012 0.000 1.260 207 G CA -0.543 44.582 45.100 0.041 0.000 1.055 207 G HN 1.235 nan 8.290 nan 0.000 0.484 208 I N 2.161 122.613 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 208 I C 1.012 177.009 176.117 -0.201 0.000 1.107 208 I CA -0.308 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.034 37.542 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.975 123.795 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.302 209 F C 0.697 176.433 175.800 -0.107 0.000 1.097 209 F CA -0.527 57.377 58.000 -0.160 0.000 1.330 209 F CB 0.071 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.120 nan 8.300 nan 0.000 0.578 210 R N 0.684 120.784 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.262 210 R C -1.002 175.135 176.300 -0.272 0.000 1.057 210 R CA -1.158 54.701 56.100 -0.401 0.000 0.981 210 R CB 0.563 30.612 30.300 -0.418 0.000 1.201 210 R HN -0.032 nan 8.270 nan 0.000 0.484 211 D N 0.778 121.081 120.400 -0.162 0.000 2.474 211 D HA 0.091 4.731 4.640 -0.000 0.000 0.232 211 D C -0.274 175.922 176.300 -0.173 0.000 1.177 211 D CA 0.434 54.357 54.000 -0.129 0.000 0.876 211 D CB 0.403 41.164 40.800 -0.066 0.000 1.208 211 D HN 0.064 nan 8.370 nan 0.000 0.464 212 V N 0.924 120.744 119.914 -0.157 0.000 2.540 212 V HA 0.653 4.772 4.120 -0.000 0.000 0.302 212 V C -0.143 175.857 176.094 -0.156 0.000 1.035 212 V CA -0.592 61.569 62.300 -0.231 0.000 0.873 212 V CB 1.610 33.309 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.486 120.054 115.700 -0.219 0.000 2.625 213 S HA 0.826 5.296 4.470 -0.000 0.000 0.271 213 S C -1.247 173.304 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.921 65.088 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.300 122.541 121.223 0.030 0.000 2.386 214 L HA 0.698 5.038 4.340 -0.000 0.000 0.271 214 L C -1.589 175.391 176.870 0.183 0.000 0.993 214 L CA -0.791 54.132 54.840 0.138 0.000 0.819 214 L CB 1.868 44.097 42.059 0.283 0.000 1.294 214 L HN 0.673 nan 8.230 nan 0.000 0.414 215 L N 2.393 123.684 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 215 L C -1.058 175.717 176.870 -0.159 0.000 0.980 215 L CA -0.287 54.551 54.840 -0.003 0.000 0.826 215 L CB 1.661 43.724 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.035 122.776 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 -0.000 0.000 0.310 216 H C -1.157 173.884 175.328 -0.478 0.000 1.057 216 H CA -0.141 55.418 56.048 -0.816 0.000 1.264 216 H CB 0.962 29.635 29.762 -1.815 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.428 125.334 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 217 K C -2.741 173.506 176.600 -0.589 0.000 0.954 217 K CA -2.460 53.490 56.287 -0.560 0.000 0.820 217 K CB 1.809 34.090 32.500 -0.365 0.000 1.292 217 K HN 0.415 nan 8.250 nan 0.000 0.436 218 P HA -0.011 nan 4.420 nan 0.000 0.271 218 P C 0.149 177.317 177.300 -0.219 0.000 1.233 218 P CA -0.100 62.850 63.100 -0.250 0.000 0.789 218 P CB 0.443 32.049 31.700 -0.156 0.000 0.951 219 T N -2.982 111.481 114.554 -0.152 0.000 2.942 219 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 219 T C 0.687 175.312 174.700 -0.125 0.000 1.062 219 T CA 1.182 63.208 62.100 -0.123 0.000 1.139 219 T CB -0.697 68.124 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.405 117.884 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 -0.000 0.000 0.317 220 T C -0.337 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.785 61.231 62.100 -0.140 0.000 0.954 220 T CB 0.712 69.504 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.781 122.473 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 -0.000 0.000 0.302 221 Q C -1.030 174.850 176.000 -0.200 0.000 1.042 221 Q CA -1.173 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.400 29.987 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.756 123.183 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 -0.000 0.000 0.289 222 I C 0.984 176.901 176.117 -0.332 0.000 1.083 222 I CA 0.111 61.278 61.300 -0.221 0.000 1.372 222 I CB 1.027 38.860 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.127 118.746 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 223 S C 0.265 174.998 174.600 0.223 0.000 0.999 223 S CA -0.105 58.061 58.200 -0.058 0.000 0.914 223 S CB 0.240 63.426 63.200 -0.023 0.000 0.782 223 S HN 0.734 nan 8.310 nan 0.000 0.520 224 D N -0.609 119.966 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 -0.000 0.000 0.244 224 D C -1.768 174.755 176.300 0.373 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.129 42.062 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.432 119.563 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 225 F C -1.539 174.288 175.800 0.044 0.000 1.118 225 F CA -0.785 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.409 40.418 39.000 0.016 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.004 120.077 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 -0.000 0.000 0.371 226 H C -1.366 173.950 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.456 56.048 -0.119 0.000 1.165 226 H CB 2.686 32.399 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.164 121.125 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 227 V C -0.495 175.578 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.021 0.000 0.952 227 V CB 1.681 33.494 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.968 124.746 122.820 -0.069 0.000 2.547 228 A HA 0.830 5.150 4.320 -0.000 0.000 0.297 228 A C -0.482 177.011 177.584 -0.151 0.000 1.056 228 A CA -0.391 51.593 52.037 -0.089 0.000 0.688 228 A CB 2.034 21.006 19.000 -0.047 0.000 1.282 228 A HN 0.934 nan 8.150 nan 0.000 0.400 229 T N 0.038 114.494 114.554 -0.163 0.000 2.807 229 T HA 0.795 5.145 4.350 -0.000 0.000 0.279 229 T C -0.377 174.156 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.241 62.100 -0.275 0.000 0.970 229 T CB 1.262 69.926 68.868 -0.340 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.647 121.880 120.500 -0.444 0.000 2.740 230 R HA 0.768 5.108 4.340 -0.000 0.000 0.282 230 R C -1.248 174.677 176.300 -0.625 0.000 0.969 230 R CA -0.747 55.162 56.100 -0.317 0.000 0.918 230 R CB 1.606 31.825 30.300 -0.135 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.063 120.005 119.950 -0.014 0.000 2.640 231 F HA 0.360 4.887 4.527 -0.000 0.000 0.324 231 F C 0.363 176.043 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.849 39.710 39.000 -0.233 0.000 1.351 231 F HN 0.506 nan 8.300 nan 0.000 0.487 232 N N -0.209 118.489 118.700 -0.004 0.000 2.327 232 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 232 N C 0.488 175.850 175.510 -0.246 0.000 1.281 232 N CA -0.215 52.783 53.050 -0.086 0.000 0.942 232 N CB 0.079 38.537 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.556 118.743 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.413 4.640 -0.000 0.000 0.208 233 D C 0.113 176.280 176.300 -0.221 0.000 0.977 233 D CA 1.349 55.239 54.000 -0.183 0.000 0.871 233 D CB -0.421 40.340 40.800 -0.066 0.000 0.925 233 D HN 0.752 nan 8.370 nan 0.000 0.485 234 D N -1.493 118.811 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 -0.000 0.000 0.222 234 D C 0.245 176.664 176.300 0.200 0.000 1.210 234 D CA -0.857 53.172 54.000 0.049 0.000 0.825 234 D CB -1.068 39.784 40.800 0.087 0.000 1.037 234 D HN 0.162 nan 8.370 nan 0.000 0.506 235 F N 0.712 120.720 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.289 235 F C 1.787 177.669 175.800 0.136 0.000 0.772 235 F CA 0.801 58.880 58.000 0.133 0.000 1.162 235 F CB -2.477 36.503 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.413 115.397 115.700 0.183 0.000 2.522 236 S HA 0.121 4.591 4.470 -0.000 0.000 0.227 236 S C 0.701 175.356 174.600 0.092 0.000 0.986 236 S CA 0.755 59.030 58.200 0.124 0.000 0.929 236 S CB 0.356 63.603 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.403 120.163 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 -0.000 0.000 0.265 237 R C -1.709 174.614 176.300 0.039 0.000 1.070 237 R CA -0.041 56.086 56.100 0.046 0.000 0.909 237 R CB 1.369 31.674 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.489 125.270 122.820 -0.065 0.000 2.479 238 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 238 A C -1.451 176.040 177.584 -0.156 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.227 21.074 19.000 -0.255 0.000 1.323 238 A HN 0.361 nan 8.150 nan 0.000 0.415 239 V N 1.390 121.184 119.914 -0.200 0.000 2.483 239 V HA 0.426 4.546 4.120 -0.000 0.000 0.297 239 V C -1.032 175.004 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.762 62.300 -0.117 0.000 0.855 239 V CB 1.355 33.112 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.229 126.432 121.223 -0.034 0.000 2.275 240 L HA 0.629 4.969 4.340 -0.000 0.000 0.288 240 L C -0.121 176.711 176.870 -0.063 0.000 1.046 240 L CA 0.179 54.984 54.840 -0.060 0.000 0.805 240 L CB 1.198 43.244 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.826 124.983 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 -0.000 0.000 0.263 241 E C -1.791 174.796 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.566 31.238 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.386 127.200 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 -0.000 0.000 0.320 242 A C -0.847 176.735 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.458 20.485 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.329 122.529 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 243 E C -1.650 174.889 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.599 31.234 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.273 124.137 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.481 4.120 -0.000 0.000 0.305 244 V C -0.498 175.624 176.094 0.046 0.000 1.043 244 V CA -0.808 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.771 33.556 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.133 123.987 119.800 0.090 0.000 2.377 245 Q HA 0.825 5.164 4.340 -0.000 0.000 0.271 245 Q C -0.848 175.231 176.000 0.131 0.000 1.077 245 Q CA -0.857 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.846 31.595 28.738 0.018 0.000 1.347 245 Q HN 0.847 nan 8.270 nan 0.000 0.444 246 M N -0.879 118.754 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 -0.000 0.000 0.314 246 M C -1.303 174.891 176.300 -0.177 0.000 1.200 246 M CA -0.429 54.790 55.300 -0.136 0.000 0.916 246 M CB 2.040 34.363 32.600 -0.461 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.428 120.622 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 -0.000 0.000 0.320 247 C C 0.588 175.474 174.990 -0.174 0.000 1.200 247 C CA 0.893 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.033 28.704 27.740 -0.114 0.000 2.275 247 C HN 1.355 nan 8.230 nan 0.000 0.492 248 G N 3.388 112.101 108.800 -0.145 0.000 2.396 248 G HA2 0.121 4.081 3.960 -0.000 0.000 0.254 248 G HA3 0.121 4.081 3.960 -0.000 0.000 0.254 248 G C -1.505 173.308 174.900 -0.144 0.000 1.248 248 G CA -0.291 44.726 45.100 -0.138 0.000 1.033 248 G HN 0.854 nan 8.290 nan 0.000 0.502 249 E N -0.338 119.784 120.200 -0.129 0.000 2.166 249 E HA 0.712 5.062 4.350 -0.000 0.000 0.275 249 E C 0.021 176.516 176.600 -0.176 0.000 0.941 249 E CA -0.957 55.365 56.400 -0.130 0.000 0.784 249 E CB 2.001 31.653 29.700 -0.079 0.000 1.115 249 E HN 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.491 124.598 121.223 -0.193 0.000 2.455 250 L HA 0.257 4.596 4.340 -0.000 0.000 0.272 250 L C -0.068 176.678 176.870 -0.206 0.000 1.174 250 L CA 0.150 54.845 54.840 -0.241 0.000 0.869 250 L CB 0.227 42.165 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.684 123.000 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 -0.000 0.000 0.280 251 R C 0.064 176.138 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.280 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.479 30.300 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.782 122.105 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 252 D C 0.886 177.191 176.300 0.010 0.000 0.974 252 D CA 1.464 55.449 54.000 -0.025 0.000 0.931 252 D CB -0.052 40.785 40.800 0.061 0.000 0.889 252 D HN 0.715 nan 8.370 nan 0.000 0.512 253 Y N -0.690 119.614 120.300 0.007 0.000 2.457 253 Y HA 0.393 4.943 4.550 -0.000 0.000 0.263 253 Y C 0.959 176.858 175.900 -0.001 0.000 1.164 253 Y CA -0.937 57.168 58.100 0.008 0.000 1.274 253 Y CB -0.321 38.145 38.460 0.009 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.946 123.984 121.223 -0.308 0.000 2.397 254 L HA 0.362 4.702 4.340 -0.000 0.000 0.271 254 L C 0.205 177.018 176.870 -0.095 0.000 1.148 254 L CA -0.097 54.626 54.840 -0.195 0.000 0.825 254 L CB 0.607 42.559 42.059 -0.178 0.000 1.117 254 L HN 0.252 nan 8.230 nan 0.000 0.456 255 R N 2.076 122.427 120.500 -0.248 0.000 2.799 255 R HA 0.749 5.089 4.340 -0.000 0.000 0.270 255 R C -1.543 174.434 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.025 56.100 -0.403 0.000 0.916 255 R CB 2.388 32.416 30.300 -0.453 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.789 120.481 119.914 -0.370 0.000 2.686 256 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 256 V C -0.617 175.455 176.094 -0.036 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.233 0.000 0.894 256 V CB 2.421 34.032 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.578 118.187 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 257 T C -0.855 173.852 174.700 0.011 0.000 1.003 257 T CA -0.536 61.615 62.100 0.084 0.000 0.977 257 T CB 1.923 70.876 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.062 122.967 119.914 -0.015 0.000 2.577 258 V HA 0.695 4.814 4.120 -0.000 0.000 0.303 258 V C -0.439 175.638 176.094 -0.027 0.000 1.042 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.872 258 V CB 1.871 33.671 31.823 -0.040 0.000 0.998 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.036 120.737 115.700 0.001 0.000 2.526 259 S HA 0.863 5.332 4.470 -0.000 0.000 0.293 259 S C -1.139 173.434 174.600 -0.044 0.000 1.092 259 S CA -0.770 57.387 58.200 -0.071 0.000 0.980 259 S CB 2.385 65.578 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.102 123.190 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 260 L C -1.840 174.863 176.870 -0.278 0.000 1.014 260 L CA -0.460 54.327 54.840 -0.089 0.000 0.815 260 L CB 0.799 42.831 42.059 -0.045 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.272 124.667 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 261 W C -0.489 176.158 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.620 31.122 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.670 122.720 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 -0.000 0.000 0.245 262 Q C 0.684 176.774 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.500 55.803 0.164 0.000 0.860 262 Q CB 0.344 29.132 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.328 111.209 108.800 0.135 0.000 2.595 263 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.297 263 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.297 263 G C 0.666 175.638 174.900 0.119 0.000 1.181 263 G CA 0.323 45.469 45.100 0.077 0.000 0.963 263 G HN 0.516 nan 8.290 nan 0.000 0.541 264 E N 1.560 121.834 120.200 0.122 0.000 2.385 264 E HA 0.196 4.545 4.350 -0.000 0.000 0.194 264 E C 1.260 178.081 176.600 0.367 0.000 1.013 264 E CA 0.923 57.407 56.400 0.140 0.000 0.866 264 E CB -0.123 29.625 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.358 116.126 114.554 0.357 0.000 2.806 265 T HA 0.177 4.527 4.350 -0.000 0.000 0.290 265 T C 0.088 174.925 174.700 0.228 0.000 0.966 265 T CA -0.349 61.931 62.100 0.301 0.000 1.060 265 T CB 1.590 70.537 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.862 122.512 119.800 -0.250 0.000 2.296 266 Q HA 0.287 4.627 4.340 -0.000 0.000 0.257 266 Q C 0.316 176.040 176.000 -0.459 0.000 0.942 266 Q CA -0.397 54.780 55.803 -1.043 0.000 0.939 266 Q CB 0.929 28.756 28.738 -1.519 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.306 121.993 119.914 -0.379 0.000 2.685 267 V HA 0.334 4.453 4.120 -0.000 0.000 0.244 267 V C 0.418 176.401 176.094 -0.184 0.000 1.054 267 V CA 0.962 63.164 62.300 -0.164 0.000 1.076 267 V CB 0.099 31.917 31.823 -0.009 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.202 121.465 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 268 A C -0.820 176.634 177.584 -0.216 0.000 1.055 268 A CA -0.048 51.873 52.037 -0.194 0.000 0.683 268 A CB 1.737 20.660 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.075 114.531 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 -0.000 0.000 0.272 269 S C -0.491 174.059 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.271 58.200 -0.125 0.000 0.843 269 S CB 1.963 65.085 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.216 109.979 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 -0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 -0.000 0.000 0.297 270 G C -1.518 173.362 174.900 -0.033 0.000 1.434 270 G CA -0.381 44.690 45.100 -0.049 0.000 0.980 270 G HN 0.685 nan 8.290 nan 0.000 0.531 271 T N -0.204 114.335 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.259 4.350 -0.000 0.000 0.295 271 T C -0.171 174.505 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.870 70.768 68.868 0.050 0.000 1.072 271 T HN 1.780 nan 8.240 nan 0.000 0.473 272 A N 2.914 125.684 122.820 -0.083 0.000 2.566 272 A HA 0.914 5.234 4.320 -0.000 0.000 0.290 272 A C -3.246 174.228 177.584 -0.184 0.000 1.071 272 A CA -1.417 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.149 20.069 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.655 nan 4.420 nan 0.000 0.292 273 P C -0.771 176.443 177.300 -0.145 0.000 1.300 273 P CA -0.481 62.553 63.100 -0.110 0.000 0.900 273 P CB 0.589 32.274 31.700 -0.024 0.000 1.139 274 F N 0.828 120.728 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 -0.000 0.000 0.332 274 F C 1.622 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.924 59.887 58.000 -0.062 0.000 1.330 274 F CB -0.190 38.766 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.954 109.880 108.800 0.209 0.000 3.438 275 G HA2 0.374 4.334 3.960 -0.000 0.000 0.684 275 G HA3 0.374 4.334 3.960 -0.000 0.000 0.684 275 G C -0.481 174.463 174.900 0.073 0.000 1.192 275 G CA -0.792 44.384 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.633 109.494 108.800 0.100 0.000 2.537 276 G HA2 0.754 4.714 3.960 -0.000 0.000 0.297 276 G HA3 0.754 4.714 3.960 -0.000 0.000 0.297 276 G C 0.062 174.995 174.900 0.055 0.000 1.310 276 G CA -0.322 44.828 45.100 0.084 0.000 1.027 276 G HN 0.895 nan 8.290 nan 0.000 0.505 277 E N -0.817 119.412 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 -0.000 0.000 0.262 277 E C -0.319 176.299 176.600 0.029 0.000 1.088 277 E CA -0.660 55.758 56.400 0.029 0.000 0.899 277 E CB 0.797 30.510 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.694 122.270 120.570 0.011 0.000 2.710 278 I HA -0.058 4.111 4.170 -0.000 0.000 0.286 278 I C 1.003 177.125 176.117 0.007 0.000 1.181 278 I CA 0.579 61.879 61.300 -0.001 0.000 1.430 278 I CB 0.147 38.142 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.174 121.741 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 -0.000 0.000 0.311 279 I C 0.004 176.119 176.117 -0.005 0.000 1.259 279 I CA 0.469 61.776 61.300 0.011 0.000 1.315 279 I CB 0.134 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.546 119.838 120.400 -0.027 0.000 2.946 280 D HA 0.207 4.847 4.640 -0.000 0.000 0.337 280 D C 0.484 176.766 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.555 54.000 -0.024 0.000 0.935 280 D CB 0.249 41.035 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.824 119.361 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 281 E C 1.590 178.171 176.600 -0.032 0.000 0.993 281 E CA 1.173 57.559 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.656 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.467 120.005 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 -0.000 0.000 0.196 282 R C 0.880 177.137 176.300 -0.071 0.000 0.961 282 R CA 0.698 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.728 30.988 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.499 108.257 108.800 -0.073 0.000 2.295 283 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.195 283 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.195 283 G C -0.347 174.491 174.900 -0.104 0.000 1.269 283 G CA -0.639 44.416 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.813 106.921 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 -0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 -0.000 0.000 0.236 284 G C -1.524 173.228 174.900 -0.246 0.000 1.329 284 G CA -0.767 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.767 121.080 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 -0.000 0.000 0.344 285 Y C 1.372 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.018 58.136 58.100 0.031 0.000 1.180 285 Y CB 1.877 40.361 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.848 124.749 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 286 A C 1.279 178.951 177.584 0.146 0.000 1.169 286 A CA 1.494 53.592 52.037 0.102 0.000 0.638 286 A CB -0.237 18.781 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.523 119.963 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 287 D C 0.332 176.809 176.300 0.295 0.000 1.183 287 D CA -0.130 53.895 54.000 0.042 0.000 0.827 287 D CB -0.111 40.658 40.800 -0.051 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.952 119.819 120.500 0.452 0.000 2.799 288 R HA 0.765 5.105 4.340 -0.000 0.000 0.270 288 R C -1.558 174.847 176.300 0.174 0.000 1.010 288 R CA -1.228 55.069 56.100 0.328 0.000 0.916 288 R CB 2.818 33.169 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.161 120.034 119.914 -0.068 0.000 3.000 289 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 289 V C -1.611 174.392 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.714 34.258 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.318 121.809 114.554 -0.105 0.000 2.812 290 T HA 0.749 5.099 4.350 -0.000 0.000 0.282 290 T C -0.969 173.684 174.700 -0.078 0.000 0.990 290 T CA -0.268 61.785 62.100 -0.078 0.000 0.960 290 T CB 1.185 70.027 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.927 124.106 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 291 L C 0.406 177.245 176.870 -0.051 0.000 1.013 291 L CA -0.683 54.117 54.840 -0.067 0.000 0.816 291 L CB 1.229 43.244 42.059 -0.074 0.000 1.287 291 L HN 0.414 nan 8.230 nan 0.000 0.435 292 R N 2.835 123.305 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 292 R C -1.499 174.771 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.454 56.100 -0.048 0.000 0.865 292 R CB 1.463 31.736 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.616 123.810 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 293 L C 0.054 176.893 176.870 -0.053 0.000 1.023 293 L CA -0.945 53.864 54.840 -0.051 0.000 0.810 293 L CB 1.495 43.523 42.059 -0.051 0.000 1.231 293 L HN 0.467 nan 8.230 nan 0.000 0.423 294 N N 1.922 120.585 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 -0.000 0.000 0.287 294 N C -1.004 174.454 175.510 -0.087 0.000 1.097 294 N CA -0.314 52.695 53.050 -0.068 0.000 0.973 294 N CB 2.849 41.300 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.019 121.866 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.312 4.120 -0.000 0.000 0.301 295 V C -0.135 175.874 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.061 33.691 31.823 -0.323 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.705 123.846 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.630 4.350 -0.000 0.000 0.275 296 E C -0.090 176.480 176.600 -0.050 0.000 1.030 296 E CA -0.392 55.974 56.400 -0.057 0.000 0.852 296 E CB 0.661 30.340 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.340 120.033 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.263 297 N C -2.386 173.120 175.510 -0.008 0.000 0.987 297 N CA 0.360 53.418 53.050 0.015 0.000 0.782 297 N CB -1.365 37.135 38.487 0.021 0.000 0.903 297 N HN 0.318 nan 8.380 nan 0.000 0.547 298 P HA 0.129 nan 4.420 nan 0.000 0.272 298 P C 0.100 177.416 177.300 0.026 0.000 1.230 298 P CA 0.166 63.155 63.100 -0.185 0.000 0.788 298 P CB 0.853 32.191 31.700 -0.603 0.000 0.949 299 K N 1.345 121.842 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 -0.000 0.000 0.277 299 K C -0.155 176.612 176.600 0.278 0.000 1.038 299 K CA -0.540 55.854 56.287 0.178 0.000 0.888 299 K CB 0.492 33.064 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.378 123.688 121.223 0.146 0.000 2.395 300 L HA 0.338 4.678 4.340 -0.000 0.000 0.269 300 L C -0.113 176.843 176.870 0.142 0.000 1.133 300 L CA -0.795 54.140 54.840 0.158 0.000 0.812 300 L CB 0.416 42.426 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.886 124.223 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 -0.000 0.000 0.322 301 W C -0.299 176.172 176.519 -0.079 0.000 1.160 301 W CA 0.128 57.487 57.345 0.024 0.000 1.218 301 W CB 1.268 30.790 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.790 117.848 115.700 -1.071 0.000 2.588 302 S HA 0.611 5.080 4.470 -0.000 0.000 0.269 302 S C 0.027 173.812 174.600 -1.358 0.000 1.157 302 S CA -0.439 57.240 58.200 -0.869 0.000 0.824 302 S CB 1.261 64.201 63.200 -0.433 0.000 1.126 302 S HN 0.815 nan 8.310 nan 0.000 0.464 303 A N 0.343 122.572 122.820 -0.985 0.000 2.066 303 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 303 A C 1.686 178.926 177.584 -0.574 0.000 1.157 303 A CA 1.270 52.694 52.037 -1.022 0.000 0.670 303 A CB -0.778 17.384 19.000 -1.397 0.000 0.804 303 A HN 0.863 nan 8.150 nan 0.000 0.453 304 E N -0.807 119.199 120.200 -0.324 0.000 2.106 304 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 304 E C -0.279 176.169 176.600 -0.254 0.000 0.984 304 E CA 0.778 57.061 56.400 -0.195 0.000 0.806 304 E CB 0.020 29.745 29.700 0.042 0.000 0.750 304 E HN 0.605 nan 8.360 nan 0.000 0.458 305 I N 0.946 121.309 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.309 4.170 -0.000 0.000 0.278 305 I C -2.623 173.223 176.117 -0.451 0.000 1.144 305 I CA -1.852 59.269 61.300 -0.299 0.000 1.074 305 I CB 2.151 40.036 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.063 nan 4.420 nan 0.000 0.231 306 P C -0.496 176.795 177.300 -0.015 0.000 1.756 306 P CA -0.095 62.681 63.100 -0.539 0.000 0.990 306 P CB -0.371 31.232 31.700 -0.161 0.000 1.973 307 N N 1.784 120.494 118.700 0.018 0.000 2.468 307 N HA 0.129 4.868 4.740 -0.000 0.000 0.265 307 N C 0.078 175.805 175.510 0.363 0.000 1.199 307 N CA 0.371 53.505 53.050 0.141 0.000 0.928 307 N CB 0.619 39.172 38.487 0.110 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.369 123.715 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 308 L C -0.804 176.142 176.870 0.128 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.164 43.346 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.028 120.401 120.300 0.215 0.000 2.576 309 Y HA 0.566 5.116 4.550 -0.000 0.000 0.346 309 Y C -0.338 175.670 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.096 40.742 38.460 0.311 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.246 121.982 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 -0.000 0.000 0.308 310 R C -1.498 174.994 176.300 0.321 0.000 0.961 310 R CA -0.666 55.601 56.100 0.278 0.000 0.862 310 R CB 1.109 31.499 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.805 126.756 122.820 0.218 0.000 2.331 311 A HA 0.588 4.907 4.320 -0.000 0.000 0.320 311 A C -1.111 176.547 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.507 20.597 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.175 122.166 119.914 0.130 0.000 2.448 312 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 312 V C -0.373 175.707 176.094 -0.024 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.396 33.245 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.013 124.854 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 -0.000 0.000 0.281 313 V C -0.035 176.002 176.094 -0.096 0.000 1.016 313 V CA -0.480 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.146 32.720 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.058 125.250 120.200 -0.013 0.000 2.176 314 E HA 0.577 4.926 4.350 -0.000 0.000 0.267 314 E C -1.112 175.576 176.600 0.147 0.000 0.893 314 E CA -1.070 55.372 56.400 0.069 0.000 0.761 314 E CB 2.791 32.547 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.313 126.592 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.687 176.247 176.870 0.106 0.000 1.046 315 L CA 0.067 54.935 54.840 0.047 0.000 0.816 315 L CB -0.097 41.968 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.205 120.294 119.070 0.032 0.000 2.942 316 H HA 0.617 5.173 4.556 -0.000 0.000 0.316 316 H C -0.966 174.405 175.328 0.071 0.000 1.323 316 H CA -0.342 55.733 56.048 0.044 0.000 1.144 316 H CB 0.988 30.770 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.823 111.866 114.554 0.226 0.000 2.927 317 T HA 0.526 4.875 4.350 -0.000 0.000 0.281 317 T C 1.440 176.317 174.700 0.295 0.000 0.998 317 T CA -0.195 62.048 62.100 0.240 0.000 1.019 317 T CB 1.389 70.447 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.009 123.973 122.820 0.240 0.000 2.024 318 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 318 A C 1.817 179.500 177.584 0.165 0.000 1.164 318 A CA 1.979 54.132 52.037 0.194 0.000 0.643 318 A CB -1.283 17.813 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.969 117.516 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 -0.000 0.000 0.208 319 D C 1.255 177.603 176.300 0.081 0.000 0.963 319 D CA 1.360 55.411 54.000 0.084 0.000 0.864 319 D CB -0.146 40.682 40.800 0.047 0.000 0.936 319 D HN 0.669 nan 8.370 nan 0.000 0.505 320 G N -1.270 107.605 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G C 0.329 175.262 174.900 0.054 0.000 1.000 320 G CA -0.042 45.090 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.140 116.755 114.554 0.101 0.000 2.817 321 T HA 0.404 4.754 4.350 -0.000 0.000 0.295 321 T C 0.507 175.289 174.700 0.138 0.000 0.958 321 T CA 0.155 62.312 62.100 0.094 0.000 1.157 321 T CB 1.066 69.987 68.868 0.088 0.000 0.898 321 T HN 0.483 nan 8.240 nan 0.000 0.536 322 L N 4.859 126.140 121.223 0.097 0.000 2.331 322 L HA 0.256 4.596 4.340 -0.000 0.000 0.278 322 L C 0.619 177.548 176.870 0.099 0.000 1.106 322 L CA -0.464 54.447 54.840 0.118 0.000 0.824 322 L CB 0.465 42.563 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.316 123.945 120.570 0.099 0.000 2.494 323 I HA 0.104 4.274 4.170 -0.000 0.000 0.250 323 I C 0.601 176.733 176.117 0.025 0.000 1.112 323 I CA 0.802 62.132 61.300 0.049 0.000 1.438 323 I CB -0.175 37.839 38.000 0.022 0.000 1.111 323 I HN 0.801 nan 8.210 nan 0.000 0.431 324 E N -0.596 119.623 120.200 0.032 0.000 2.421 324 E HA 0.674 5.024 4.350 -0.000 0.000 0.278 324 E C -1.674 174.950 176.600 0.040 0.000 1.141 324 E CA -1.034 55.382 56.400 0.027 0.000 0.880 324 E CB 0.979 30.660 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.926 123.796 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 325 A C -1.256 176.453 177.584 0.208 0.000 1.073 325 A CA -0.687 51.407 52.037 0.093 0.000 0.700 325 A CB 1.911 20.954 19.000 0.072 0.000 1.296 325 A HN 0.515 nan 8.150 nan 0.000 0.405 326 E N -0.451 119.803 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 -0.000 0.000 0.273 326 E C -0.631 175.992 176.600 0.039 0.000 0.918 326 E CA -0.621 55.902 56.400 0.205 0.000 0.773 326 E CB 2.510 32.278 29.700 0.113 0.000 1.275 326 E HN 1.163 nan 8.360 nan 0.000 0.451 327 A N 0.180 123.136 122.820 0.227 0.000 2.588 327 A HA 0.859 5.178 4.320 -0.000 0.000 0.290 327 A C -1.115 176.648 177.584 0.300 0.000 1.136 327 A CA -0.393 51.711 52.037 0.112 0.000 0.681 327 A CB 1.194 20.131 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.815 118.620 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 -0.000 0.000 0.338 328 C C -1.543 173.533 174.990 0.144 0.000 1.323 328 C CA -0.987 58.157 59.018 0.211 0.000 1.232 328 C CB 0.888 28.767 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.830 121.293 120.400 0.105 0.000 2.264 329 D HA 0.572 5.212 4.640 -0.000 0.000 0.249 329 D C -0.507 175.830 176.300 0.061 0.000 1.070 329 D CA 0.155 54.218 54.000 0.104 0.000 0.912 329 D CB 2.080 42.941 40.800 0.101 0.000 1.193 329 D HN 0.528 nan 8.370 nan 0.000 0.427 330 V N 0.699 120.677 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 -0.000 0.000 0.307 330 V C 0.370 176.503 176.094 0.065 0.000 1.051 330 V CA -0.732 61.577 62.300 0.015 0.000 0.893 330 V CB 2.196 34.017 31.823 -0.003 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.766 111.492 108.800 -0.124 0.000 2.544 331 G HA2 0.642 4.602 3.960 -0.000 0.000 0.313 331 G HA3 0.642 4.602 3.960 -0.000 0.000 0.313 331 G C -1.240 173.647 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.702 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.259 122.391 119.950 0.303 0.000 2.404 332 F HA 0.560 5.087 4.527 -0.000 0.000 0.359 332 F C 0.919 176.960 175.800 0.400 0.000 1.134 332 F CA -0.299 57.934 58.000 0.388 0.000 1.160 332 F CB 1.105 40.352 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.214 122.015 120.500 0.502 0.000 2.634 333 R HA 0.461 4.801 4.340 -0.000 0.000 0.263 333 R C -1.761 174.686 176.300 0.244 0.000 1.060 333 R CA -1.073 55.172 56.100 0.242 0.000 0.898 333 R CB 1.423 31.885 30.300 0.271 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.101 122.346 120.200 0.075 0.000 2.199 334 E HA 0.474 4.824 4.350 -0.000 0.000 0.265 334 E C -1.289 175.367 176.600 0.093 0.000 0.882 334 E CA -1.019 55.479 56.400 0.162 0.000 0.759 334 E CB 2.020 31.851 29.700 0.219 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.489 125.457 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 335 V C -0.182 175.944 176.094 0.054 0.000 1.024 335 V CA -0.557 61.770 62.300 0.045 0.000 0.861 335 V CB 1.260 33.091 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.461 124.988 120.500 0.046 0.000 2.692 336 R HA 0.689 5.029 4.340 -0.000 0.000 0.269 336 R C -2.104 174.216 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.050 0.000 0.882 336 R CB 1.742 32.085 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.830 122.421 120.570 0.035 0.000 2.330 337 I HA 0.329 4.498 4.170 -0.000 0.000 0.289 337 I C -0.560 175.576 176.117 0.031 0.000 1.001 337 I CA -0.358 60.959 61.300 0.027 0.000 1.193 337 I CB 1.700 39.717 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.264 126.478 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 -0.000 0.000 0.268 338 E C -0.386 176.224 176.600 0.018 0.000 0.884 338 E CA -0.626 55.790 56.400 0.026 0.000 0.766 338 E CB 1.049 30.769 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.440 122.151 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 339 N C 0.427 175.941 175.510 0.007 0.000 1.031 339 N CA 1.960 55.018 53.050 0.013 0.000 0.720 339 N CB -1.237 37.257 38.487 0.011 0.000 0.930 339 N HN 0.973 nan 8.380 nan 0.000 0.543 340 G N -1.985 106.820 108.800 0.008 0.000 2.179 340 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G C -0.029 174.865 174.900 -0.010 0.000 0.977 340 G CA 0.623 45.723 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.165 121.053 121.223 -0.008 0.000 2.354 341 L HA 0.747 5.087 4.340 -0.000 0.000 0.269 341 L C -0.102 176.757 176.870 -0.018 0.000 1.005 341 L CA -1.361 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.944 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.738 124.939 121.223 -0.038 0.000 2.260 342 L HA 0.514 4.854 4.340 -0.000 0.000 0.289 342 L C -0.862 175.983 176.870 -0.043 0.000 1.057 342 L CA 0.296 55.113 54.840 -0.039 0.000 0.811 342 L CB 0.480 42.502 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.671 126.884 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 343 L C -0.869 176.002 176.870 0.001 0.000 1.010 343 L CA -0.843 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.993 44.070 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.690 123.924 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.475 176.427 176.870 0.052 0.000 0.987 344 L CA -0.234 54.628 54.840 0.036 0.000 0.828 344 L CB 1.099 43.176 42.059 0.031 0.000 1.249 344 L HN 0.647 nan 8.230 nan 0.000 0.409 345 N N 4.116 122.742 118.700 -0.123 0.000 2.716 345 N HA -0.226 4.513 4.740 -0.000 0.000 0.250 345 N C 0.895 176.163 175.510 -0.402 0.000 1.033 345 N CA 1.412 54.134 53.050 -0.546 0.000 0.727 345 N CB -1.159 36.892 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.992 106.794 108.800 -0.024 0.000 2.225 346 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.254 346 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.254 346 G C -0.057 174.881 174.900 0.063 0.000 0.988 346 G CA 0.842 46.008 45.100 0.109 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 0.994 121.424 120.400 0.050 0.000 2.208 347 K HA 0.548 4.867 4.320 -0.000 0.000 0.247 347 K C -3.019 173.561 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.675 35.085 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.217 nan 4.420 nan 0.000 0.282 348 P C -0.251 176.988 177.300 -0.101 0.000 1.274 348 P CA -0.177 62.880 63.100 -0.072 0.000 0.770 348 P CB 0.553 32.212 31.700 -0.069 0.000 0.867 349 L N 3.411 124.568 121.223 -0.109 0.000 2.456 349 L HA 0.421 4.761 4.340 -0.000 0.000 0.257 349 L C 0.432 177.218 176.870 -0.139 0.000 1.162 349 L CA -0.803 53.960 54.840 -0.128 0.000 0.808 349 L CB 0.568 42.518 42.059 -0.181 0.000 1.136 349 L HN 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.781 123.933 121.223 -0.118 0.000 2.471 350 L HA 0.414 4.754 4.340 -0.000 0.000 0.263 350 L C -0.706 176.104 176.870 -0.099 0.000 0.985 350 L CA -0.199 54.557 54.840 -0.141 0.000 0.868 350 L CB 0.999 43.001 42.059 -0.094 0.000 1.203 350 L HN 0.218 nan 8.230 nan 0.000 0.429 351 I N 4.517 124.965 120.570 -0.203 0.000 2.436 351 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 351 I C 0.566 176.609 176.117 -0.122 0.000 1.083 351 I CA 0.129 61.315 61.300 -0.189 0.000 1.372 351 I CB 0.521 38.286 38.000 -0.393 0.000 1.408 351 I HN 0.552 nan 8.210 nan 0.000 0.516 352 R N 4.746 125.252 120.500 0.010 0.000 3.070 352 R HA 0.448 4.788 4.340 -0.000 0.000 0.252 352 R C 0.545 176.919 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.050 0.000 1.482 352 R CB 0.749 30.946 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.075 108.896 108.800 0.036 0.000 2.509 353 G HA2 0.592 4.551 3.960 -0.000 0.000 0.328 353 G HA3 0.592 4.551 3.960 -0.000 0.000 0.328 353 G C -1.265 173.924 174.900 0.482 0.000 1.194 353 G CA -0.482 44.647 45.100 0.048 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.227 120.464 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 354 V C -1.167 175.071 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.242 33.969 31.823 -0.158 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.276 123.025 118.700 0.081 0.000 2.518 355 N HA 0.518 5.258 4.740 -0.000 0.000 0.283 355 N C -0.798 174.501 175.510 -0.352 0.000 1.119 355 N CA -0.422 52.532 53.050 -0.159 0.000 0.983 355 N CB 1.755 40.133 38.487 -0.180 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.689 121.944 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 -0.000 0.000 0.288 356 R C -1.190 174.861 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.317 56.100 -0.378 0.000 0.909 356 R CB 1.090 31.175 30.300 -0.358 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.001 120.917 119.070 -0.257 0.000 2.495 357 H HA 0.172 4.727 4.556 -0.000 0.000 0.350 357 H C -0.549 174.761 175.328 -0.030 0.000 1.202 357 H CA -0.214 55.770 56.048 -0.106 0.000 1.322 357 H CB 1.667 31.422 29.762 -0.011 0.000 1.544 357 H HN 0.565 nan 8.280 nan 0.000 0.565 358 E N 1.652 122.033 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 -0.000 0.000 0.274 358 E C -0.767 175.957 176.600 0.207 0.000 1.061 358 E CA 0.007 56.497 56.400 0.151 0.000 0.847 358 E CB 0.150 29.946 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.603 120.710 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 -0.000 0.000 0.354 359 H C -1.648 173.706 175.328 0.043 0.000 1.085 359 H CA -0.695 55.384 56.048 0.052 0.000 1.253 359 H CB 1.026 30.809 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.529 125.277 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 -0.000 0.000 0.339 360 H C -2.215 172.700 175.328 -0.689 0.000 1.004 360 H CA -2.441 53.338 56.048 -0.448 0.000 1.257 360 H CB 2.440 32.057 29.762 -0.241 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.154 nan 4.420 nan 0.000 0.216 361 P C 1.392 178.580 177.300 -0.188 0.000 1.150 361 P CA 1.020 63.931 63.100 -0.314 0.000 0.843 361 P CB 0.798 32.340 31.700 -0.263 0.000 0.787 362 L N -2.009 119.234 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 -0.000 0.000 0.197 362 L C 2.445 179.227 176.870 -0.146 0.000 1.073 362 L CA 0.846 55.633 54.840 -0.087 0.000 0.800 362 L CB -0.768 41.125 42.059 -0.277 0.000 0.987 362 L HN 0.013 nan 8.230 nan 0.000 0.470 363 H N -0.482 118.513 119.070 -0.125 0.000 2.547 363 H HA 0.161 4.717 4.556 -0.000 0.000 0.266 363 H C 1.450 176.644 175.328 -0.223 0.000 0.988 363 H CA 0.078 55.958 56.048 -0.280 0.000 1.147 363 H CB 0.238 29.711 29.762 -0.482 0.000 1.365 363 H HN 0.472 nan 8.280 nan 0.000 0.589 364 G N 1.552 110.255 108.800 -0.162 0.000 2.543 364 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G C 0.582 175.372 174.900 -0.183 0.000 1.153 364 G CA 0.352 45.292 45.100 -0.267 0.000 0.968 364 G HN 0.478 nan 8.290 nan 0.000 0.544 365 Q N 0.080 119.785 119.800 -0.158 0.000 2.247 365 Q HA 0.445 4.784 4.340 -0.000 0.000 0.205 365 Q C 0.304 176.324 176.000 0.034 0.000 0.896 365 Q CA -0.037 55.702 55.803 -0.107 0.000 0.950 365 Q CB 0.770 29.336 28.738 -0.286 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.866 121.808 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 366 V C 0.126 176.259 176.094 0.065 0.000 1.043 366 V CA -0.255 62.097 62.300 0.087 0.000 0.925 366 V CB 0.999 32.826 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.443 124.081 119.600 0.064 0.000 2.444 367 M HA 0.562 5.042 4.480 -0.000 0.000 0.319 367 M C -0.446 175.811 176.300 -0.072 0.000 1.183 367 M CA -0.600 54.696 55.300 -0.005 0.000 1.032 367 M CB 1.453 34.007 32.600 -0.077 0.000 1.569 367 M HN 0.973 nan 8.290 nan 0.000 0.468 368 D N -2.279 118.084 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 368 D C 0.195 176.490 176.300 -0.008 0.000 1.229 368 D CA -0.692 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.294 42.100 40.800 0.010 0.000 1.514 368 D HN 0.664 nan 8.370 nan 0.000 0.444 369 E N 0.116 120.320 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 -0.000 0.000 0.205 369 E C 1.627 178.282 176.600 0.091 0.000 1.027 369 E CA 1.843 58.281 56.400 0.064 0.000 0.830 369 E CB 0.064 29.814 29.700 0.085 0.000 0.751 369 E HN 0.570 nan 8.360 nan 0.000 0.456 370 Q N -0.329 119.523 119.800 0.087 0.000 2.045 370 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 370 Q C 2.216 178.280 176.000 0.106 0.000 0.991 370 Q CA 2.505 58.366 55.803 0.097 0.000 0.851 370 Q CB -0.334 28.461 28.738 0.095 0.000 0.911 370 Q HN 0.375 nan 8.270 nan 0.000 0.418 371 T N 1.163 115.788 114.554 0.118 0.000 2.674 371 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 371 T C 2.010 176.788 174.700 0.131 0.000 1.039 371 T CA 1.637 63.814 62.100 0.130 0.000 1.150 371 T CB -0.247 68.714 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.712 120.393 119.600 0.134 0.000 2.113 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.683 57.125 55.300 0.238 0.000 1.091 372 M CB -0.925 31.844 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.135 119.852 119.914 0.122 0.000 2.332 373 V HA -0.305 3.814 4.120 -0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.053 64.358 62.300 0.009 0.000 1.038 373 V CB -0.966 30.884 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.194 119.647 119.800 0.068 0.000 2.045 374 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 374 Q C 2.115 178.192 176.000 0.128 0.000 0.991 374 Q CA 2.279 58.136 55.803 0.090 0.000 0.851 374 Q CB -0.178 28.627 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.247 120.750 120.400 0.172 0.000 2.116 375 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.219 55.343 54.000 0.206 0.000 0.836 375 D CB -0.313 40.582 40.800 0.158 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.644 121.183 120.570 -0.052 0.000 2.163 376 I HA -0.263 3.906 4.170 -0.000 0.000 0.243 376 I C 2.468 178.476 176.117 -0.181 0.000 1.085 376 I CA 0.712 61.885 61.300 -0.211 0.000 1.347 376 I CB -0.209 37.571 38.000 -0.367 0.000 1.044 376 I HN 0.062 nan 8.210 nan 0.000 0.408 377 L N 0.212 121.362 121.223 -0.122 0.000 2.012 377 L HA -0.262 4.077 4.340 -0.000 0.000 0.210 377 L C 2.643 179.583 176.870 0.117 0.000 1.073 377 L CA 1.732 56.573 54.840 0.003 0.000 0.748 377 L CB -0.822 41.252 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.861 120.460 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 -0.000 0.000 0.211 378 L C 2.809 179.852 176.870 0.289 0.000 1.071 378 L CA 1.576 56.590 54.840 0.289 0.000 0.749 378 L CB -0.409 41.946 42.059 0.493 0.000 0.890 378 L HN 0.313 nan 8.230 nan 0.000 0.431 379 M N -0.621 119.015 119.600 0.060 0.000 2.073 379 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.877 57.130 55.300 -0.078 0.000 1.103 379 M CB -0.504 31.829 32.600 -0.445 0.000 1.321 379 M HN 0.135 nan 8.290 nan 0.000 0.405 380 K N 0.199 120.574 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 380 K C 1.903 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.594 57.748 56.287 -0.222 0.000 0.928 380 K CB -0.327 31.854 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.114 120.050 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 381 Q C 0.991 177.269 176.000 0.463 0.000 0.970 381 Q CA 0.626 56.683 55.803 0.423 0.000 0.876 381 Q CB 0.070 29.038 28.738 0.384 0.000 0.935 381 Q HN 0.287 nan 8.270 nan 0.000 0.455 382 N N 0.681 119.623 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 -0.000 0.000 0.217 382 N C -0.535 175.109 175.510 0.224 0.000 1.124 382 N CA 0.072 53.362 53.050 0.399 0.000 0.843 382 N CB 0.647 39.442 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.133 118.689 118.700 0.202 0.000 2.882 383 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 383 N C -0.766 174.656 175.510 -0.147 0.000 1.079 383 N CA 0.629 53.718 53.050 0.063 0.000 0.800 383 N CB -1.798 36.626 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.342 121.303 119.950 0.018 0.000 2.371 384 F HA 0.337 4.864 4.527 -0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.024 0.000 1.107 384 F CA -0.306 57.687 58.000 -0.011 0.000 1.137 384 F CB 0.774 39.742 39.000 -0.054 0.000 1.214 384 F HN 0.067 nan 8.300 nan 0.000 0.536 385 N N 0.421 119.240 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 -0.000 0.000 0.226 385 N C -0.871 174.702 175.510 0.106 0.000 1.305 385 N CA 0.063 53.163 53.050 0.084 0.000 0.890 385 N CB 0.703 39.281 38.487 0.151 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.349 122.598 122.820 0.211 0.000 2.606 386 A HA 0.769 5.088 4.320 -0.000 0.000 0.293 386 A C -1.707 176.099 177.584 0.369 0.000 1.082 386 A CA -0.607 51.612 52.037 0.304 0.000 0.685 386 A CB 1.789 21.017 19.000 0.379 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.964 121.119 119.914 0.402 0.000 2.971 387 V HA 0.831 4.951 4.120 -0.000 0.000 0.309 387 V C -0.827 175.353 176.094 0.143 0.000 1.130 387 V CA -0.740 61.744 62.300 0.308 0.000 0.964 387 V CB 1.946 33.840 31.823 0.119 0.000 1.029 387 V HN 1.172 nan 8.190 nan 0.000 0.427 388 R N 4.715 125.131 120.500 -0.141 0.000 2.387 388 R HA 0.497 4.836 4.340 -0.000 0.000 0.314 388 R C -0.764 175.370 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.387 56.100 -0.394 0.000 0.846 388 R CB 1.156 30.942 30.300 -0.857 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.344 123.520 119.300 -0.206 0.000 3.329 389 C HA 0.100 4.560 4.460 -0.000 0.000 0.537 389 C C 0.516 175.210 174.990 -0.493 0.000 1.034 389 C CA -0.452 58.398 59.018 -0.280 0.000 1.086 389 C CB -2.178 25.507 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.474 116.761 115.700 -0.688 0.000 2.465 390 S HA 0.168 4.638 4.470 -0.000 0.000 0.280 390 S C -0.124 173.613 174.600 -1.438 0.000 1.232 390 S CA 0.151 57.667 58.200 -1.141 0.000 1.066 390 S CB 0.069 62.498 63.200 -1.284 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.492 121.937 119.070 -1.042 0.000 2.597 391 H HA 0.303 4.858 4.556 -0.000 0.000 0.225 391 H C -1.180 173.996 175.328 -0.253 0.000 1.422 391 H CA -0.364 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.055 29.682 29.762 -0.042 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.669 117.742 120.300 0.184 0.000 2.841 392 Y HA 0.377 4.927 4.550 -0.000 0.000 0.373 392 Y C -3.328 172.681 175.900 0.181 0.000 1.170 392 Y CA -2.899 55.314 58.100 0.189 0.000 1.196 392 Y CB -0.063 38.513 38.460 0.194 0.000 1.433 392 Y HN -0.081 nan 8.280 nan 0.000 0.479 393 P HA 0.187 nan 4.420 nan 0.000 0.271 393 P C -0.688 176.922 177.300 0.517 0.000 1.216 393 P CA 0.131 63.500 63.100 0.449 0.000 0.776 393 P CB 0.648 32.541 31.700 0.320 0.000 0.881 394 N N 0.295 119.312 118.700 0.528 0.000 2.478 394 N HA 0.103 4.843 4.740 -0.000 0.000 0.275 394 N C 0.046 175.817 175.510 0.434 0.000 1.221 394 N CA -0.609 52.659 53.050 0.363 0.000 0.979 394 N CB 0.415 38.884 38.487 -0.030 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.965 121.152 119.070 0.195 0.000 3.034 395 H HA 0.007 4.563 4.556 -0.000 0.000 0.324 395 H C -1.747 173.792 175.328 0.351 0.000 1.015 395 H CA -0.822 55.345 56.048 0.198 0.000 1.429 395 H CB 0.985 30.814 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.846 179.488 177.300 0.570 0.000 1.151 396 P CA 0.844 64.187 63.100 0.405 0.000 0.849 396 P CB 0.166 31.897 31.700 0.052 0.000 0.787 397 L N -1.221 120.426 121.223 0.707 0.000 2.131 397 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 397 L C 2.316 179.426 176.870 0.400 0.000 1.092 397 L CA 1.476 56.621 54.840 0.509 0.000 0.759 397 L CB -1.418 40.929 42.059 0.480 0.000 0.903 397 L HN 0.060 nan 8.230 nan 0.000 0.435 398 W N -0.264 121.136 121.300 0.166 0.000 2.302 398 W HA -0.395 4.265 4.660 -0.000 0.000 0.320 398 W C 2.209 178.636 176.519 -0.153 0.000 1.241 398 W CA 2.205 59.496 57.345 -0.089 0.000 1.264 398 W CB -0.490 28.785 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.635 120.893 120.300 -0.071 0.000 2.207 399 Y HA -0.244 4.306 4.550 -0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.362 0.000 1.156 399 Y CA 2.142 59.965 58.100 -0.462 0.000 1.182 399 Y CB -1.426 36.464 38.460 -0.949 0.000 0.979 399 Y HN -0.173 nan 8.280 nan 0.000 0.521 400 T N 0.581 115.173 114.554 0.064 0.000 2.777 400 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 400 T C 2.047 176.786 174.700 0.065 0.000 1.040 400 T CA 1.271 63.463 62.100 0.153 0.000 1.141 400 T CB -0.548 68.459 68.868 0.232 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.507 121.745 121.223 0.024 0.000 2.012 401 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 401 L C 2.906 179.779 176.870 0.006 0.000 1.073 401 L CA 1.137 56.014 54.840 0.063 0.000 0.748 401 L CB -0.802 41.258 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.361 118.768 119.300 -0.285 0.000 2.425 402 C HA -0.154 4.305 4.460 -0.000 0.000 0.277 402 C C 2.426 177.436 174.990 0.033 0.000 1.280 402 C CA 0.390 59.257 59.018 -0.252 0.000 1.744 402 C CB -0.867 26.595 27.740 -0.462 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.494 120.913 120.400 0.033 0.000 2.117 403 D HA -0.099 4.540 4.640 -0.000 0.000 0.197 403 D C 2.409 178.874 176.300 0.275 0.000 0.987 403 D CA 1.160 55.243 54.000 0.138 0.000 0.829 403 D CB -0.339 40.511 40.800 0.084 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.749 119.819 120.500 0.114 0.000 2.075 404 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 404 R C 2.268 178.497 176.300 -0.118 0.000 1.114 404 R CA 0.594 56.689 56.100 -0.008 0.000 0.972 404 R CB -0.367 29.847 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.409 120.724 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 -0.000 0.000 0.293 405 Y C 1.078 176.908 175.900 -0.116 0.000 1.123 405 Y CA 0.920 59.003 58.100 -0.029 0.000 1.201 405 Y CB 0.472 38.884 38.460 -0.079 0.000 1.011 405 Y HN 0.309 nan 8.280 nan 0.000 0.545 406 G N 1.109 109.937 108.800 0.047 0.000 2.858 406 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G C -1.172 173.559 174.900 -0.281 0.000 1.003 406 G CA -0.592 44.397 45.100 -0.185 0.000 1.241 406 G HN 0.147 nan 8.290 nan 0.000 0.569 407 L N 1.032 122.161 121.223 -0.157 0.000 2.464 407 L HA 0.465 4.804 4.340 -0.000 0.000 0.266 407 L C 0.008 176.834 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.995 43.941 42.059 -0.188 0.000 1.296 407 L HN 0.456 nan 8.230 nan 0.000 0.405 408 Y N 2.082 122.477 120.300 0.159 0.000 2.411 408 Y HA 0.373 4.923 4.550 -0.000 0.000 0.333 408 Y C 0.275 176.265 175.900 0.150 0.000 1.186 408 Y CA -0.585 57.636 58.100 0.202 0.000 1.381 408 Y CB 1.137 39.706 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.627 123.702 119.914 0.268 0.000 2.735 409 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 409 V C -0.712 175.440 176.094 0.096 0.000 1.061 409 V CA -1.052 61.343 62.300 0.158 0.000 0.913 409 V CB 2.024 33.896 31.823 0.082 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.595 122.545 119.914 0.061 0.000 2.328 410 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 410 V C -0.388 175.732 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.426 33.173 31.823 -0.126 0.000 0.999 410 V HN 0.878 nan 8.190 nan 0.000 0.447 411 D N 4.021 124.479 120.400 0.095 0.000 2.264 411 D HA 0.315 4.955 4.640 -0.000 0.000 0.250 411 D C -0.216 176.256 176.300 0.286 0.000 1.113 411 D CA 0.038 54.190 54.000 0.253 0.000 0.871 411 D CB 1.293 42.290 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.713 122.058 120.200 0.242 0.000 2.248 412 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 412 E C -1.130 175.608 176.600 0.231 0.000 0.877 412 E CA -1.074 55.456 56.400 0.218 0.000 0.759 412 E CB 1.418 31.198 29.700 0.132 0.000 1.182 412 E HN 0.451 nan 8.360 nan 0.000 0.418 413 A N 3.646 126.598 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 -0.000 0.000 0.242 413 A C 0.337 178.048 177.584 0.211 0.000 1.075 413 A CA -0.275 51.875 52.037 0.188 0.000 0.777 413 A CB 0.173 19.251 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.469 120.303 118.700 0.223 0.000 2.892 414 N HA 0.193 4.933 4.740 -0.000 0.000 0.300 414 N C -0.921 174.718 175.510 0.214 0.000 1.211 414 N CA 0.278 53.490 53.050 0.269 0.000 1.158 414 N CB -0.900 37.754 38.487 0.278 0.000 1.455 414 N HN 0.469 nan 8.380 nan 0.000 0.524 415 I N 0.672 121.361 120.570 0.199 0.000 2.534 415 I HA 0.271 4.441 4.170 -0.000 0.000 0.286 415 I C -0.620 175.591 176.117 0.156 0.000 1.094 415 I CA -0.689 60.709 61.300 0.163 0.000 1.055 415 I CB 1.973 40.044 38.000 0.119 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.189 124.478 120.200 0.149 0.000 2.278 416 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 416 E C -0.528 176.144 176.600 0.120 0.000 0.890 416 E CA -0.438 56.024 56.400 0.105 0.000 0.770 416 E CB 1.861 31.599 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.536 115.153 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 -0.000 0.000 0.289 417 T C 0.973 175.737 174.700 0.106 0.000 1.012 417 T CA -0.285 61.903 62.100 0.147 0.000 0.944 417 T CB -0.329 68.595 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.190 120.191 119.070 -0.116 0.000 2.362 418 H HA -0.134 4.422 4.556 -0.000 0.000 0.294 418 H C 2.265 177.470 175.328 -0.205 0.000 1.113 418 H CA 1.441 57.386 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.399 29.762 -0.215 0.000 1.363 418 H HN 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.229 108.867 108.800 -0.270 0.000 2.650 419 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.214 419 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.214 419 G C 0.644 175.625 174.900 0.135 0.000 1.136 419 G CA -0.141 44.820 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.150 119.882 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 -0.000 0.000 0.283 420 M C -0.314 176.020 176.300 0.058 0.000 1.225 420 M CA 0.143 55.536 55.300 0.154 0.000 1.153 420 M CB 1.084 33.730 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.160 122.086 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 -0.000 0.000 0.298 421 V C -2.113 173.973 176.094 -0.014 0.000 1.097 421 V CA -1.310 60.990 62.300 0.000 0.000 0.908 421 V CB 1.936 33.757 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.214 nan 4.420 nan 0.000 0.273 422 P C 1.134 178.435 177.300 0.001 0.000 1.250 422 P CA -0.457 62.639 63.100 -0.007 0.000 0.793 422 P CB 0.857 32.555 31.700 -0.004 0.000 1.011 423 M N 0.884 120.492 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 423 M C 1.088 177.406 176.300 0.029 0.000 1.071 423 M CA 2.162 57.480 55.300 0.029 0.000 1.074 423 M CB -0.420 32.195 32.600 0.025 0.000 1.384 423 M HN 0.399 nan 8.290 nan 0.000 0.415 424 N N -0.262 118.451 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 -0.000 0.000 0.217 424 N C 1.053 176.529 175.510 -0.057 0.000 1.124 424 N CA 0.073 53.131 53.050 0.013 0.000 0.843 424 N CB -0.593 37.924 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.616 121.072 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.249 4.340 -0.000 0.000 0.248 425 R C 1.547 177.727 176.300 -0.201 0.000 1.143 425 R CA 1.890 57.921 56.100 -0.115 0.000 0.957 425 R CB -0.160 30.070 30.300 -0.117 0.000 0.867 425 R HN 0.327 nan 8.270 nan 0.000 0.441 426 L N -0.993 120.043 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 426 L C 2.477 179.164 176.870 -0.305 0.000 1.078 426 L CA 1.283 55.809 54.840 -0.523 0.000 0.780 426 L CB -0.771 40.697 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.658 110.755 114.554 -0.235 0.000 2.897 427 T HA -0.210 4.140 4.350 -0.000 0.000 0.271 427 T C 1.242 175.820 174.700 -0.204 0.000 1.084 427 T CA 1.442 63.384 62.100 -0.263 0.000 1.123 427 T CB -0.352 68.327 68.868 -0.315 0.000 0.865 427 T HN 0.133 nan 8.240 nan 0.000 0.496 428 D N 1.306 121.628 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.777 4.640 -0.000 0.000 0.221 428 D C -0.492 175.778 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.720 54.000 -0.094 0.000 0.837 428 D CB -0.031 40.725 40.800 -0.073 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.593 119.792 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 429 D C -1.828 174.538 176.300 0.109 0.000 1.109 429 D CA -2.320 51.714 54.000 0.057 0.000 0.845 429 D CB 2.235 43.107 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.186 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.415 177.300 0.016 0.000 1.154 430 P CA 1.251 64.363 63.100 0.021 0.000 0.865 430 P CB 0.170 31.870 31.700 0.001 0.000 0.789 431 R N -1.803 118.712 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 431 R C 1.772 177.928 176.300 -0.240 0.000 1.144 431 R CA 1.458 57.492 56.100 -0.110 0.000 0.992 431 R CB -0.831 29.376 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.045 121.196 121.300 -0.098 0.000 3.278 432 W HA 0.146 4.806 4.660 -0.000 0.000 0.308 432 W C 1.586 178.043 176.519 -0.103 0.000 1.253 432 W CA -0.603 56.683 57.345 -0.099 0.000 1.759 432 W CB -0.034 29.363 29.460 -0.106 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.382 123.652 121.223 0.078 0.000 2.042 433 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 433 L C -0.748 176.094 176.870 -0.047 0.000 1.076 433 L CA 2.308 57.146 54.840 -0.002 0.000 0.749 433 L CB -1.691 40.353 42.059 -0.025 0.000 0.893 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.105 nan 4.420 nan 0.000 0.215 434 P C 1.663 178.915 177.300 -0.080 0.000 1.157 434 P CA 2.077 65.122 63.100 -0.092 0.000 0.863 434 P CB -0.253 31.384 31.700 -0.105 0.000 0.787 435 A N -0.343 122.444 122.820 -0.055 0.000 1.873 435 A HA -0.240 4.079 4.320 -0.000 0.000 0.218 435 A C 2.297 179.891 177.584 0.017 0.000 1.193 435 A CA 2.313 54.349 52.037 -0.002 0.000 0.629 435 A CB -1.641 17.405 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.173 119.449 119.600 0.036 0.000 2.108 436 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 436 M C 2.601 178.851 176.300 -0.084 0.000 1.066 436 M CA 1.917 57.212 55.300 -0.009 0.000 1.107 436 M CB -0.564 32.010 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.532 116.158 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.262 0.000 1.039 437 S CA 1.716 59.780 58.200 -0.227 0.000 1.033 437 S CB -0.416 62.642 63.200 -0.237 0.000 0.887 437 S HN 0.488 nan 8.310 nan 0.000 0.447 438 E N 0.647 120.742 120.200 -0.176 0.000 2.110 438 E HA -0.136 4.213 4.350 -0.000 0.000 0.193 438 E C 2.454 178.975 176.600 -0.131 0.000 0.988 438 E CA 1.013 57.319 56.400 -0.157 0.000 0.804 438 E CB -0.224 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.171 120.622 120.500 -0.083 0.000 2.120 439 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 439 R C 2.347 178.607 176.300 -0.067 0.000 1.123 439 R CA 0.912 56.990 56.100 -0.036 0.000 0.975 439 R CB -0.013 30.300 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N -0.003 119.824 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 -0.000 0.000 0.242 440 V C 2.356 178.297 176.094 -0.255 0.000 1.036 440 V CA 2.008 64.209 62.300 -0.165 0.000 1.044 440 V CB -0.390 31.320 31.823 -0.188 0.000 0.688 440 V HN 0.512 nan 8.190 nan 0.000 0.462 441 T N -0.218 114.065 114.554 -0.451 0.000 2.665 441 T HA -0.309 4.041 4.350 -0.000 0.000 0.268 441 T C 1.946 176.517 174.700 -0.215 0.000 1.035 441 T CA 1.769 63.542 62.100 -0.544 0.000 1.151 441 T CB -0.485 67.954 68.868 -0.714 0.000 0.862 441 T HN 0.402 nan 8.240 nan 0.000 0.438 442 R N 0.463 120.853 120.500 -0.184 0.000 2.081 442 R HA 0.074 4.414 4.340 -0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.637 57.663 56.100 -0.124 0.000 0.960 442 R CB -0.544 29.691 30.300 -0.108 0.000 0.856 442 R HN 0.488 nan 8.270 nan 0.000 0.436 443 M N 0.813 120.359 119.600 -0.090 0.000 2.080 443 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 443 M C 2.009 178.253 176.300 -0.094 0.000 1.068 443 M CA 1.748 57.022 55.300 -0.044 0.000 1.109 443 M CB -0.034 32.579 32.600 0.022 0.000 1.342 443 M HN -0.019 nan 8.290 nan 0.000 0.405 444 V N 0.739 120.503 119.914 -0.250 0.000 2.332 444 V HA -0.316 3.803 4.120 -0.000 0.000 0.248 444 V C 2.318 178.302 176.094 -0.183 0.000 1.055 444 V CA 2.185 64.210 62.300 -0.459 0.000 1.038 444 V CB -0.965 30.570 31.823 -0.480 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.754 118.977 119.800 -0.116 0.000 2.135 445 Q HA -0.241 4.098 4.340 -0.000 0.000 0.204 445 Q C 2.513 178.439 176.000 -0.123 0.000 0.981 445 Q CA 1.786 57.535 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.051 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.101 120.521 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.586 176.806 176.300 -0.133 0.000 1.114 446 R CA 1.405 57.399 56.100 -0.177 0.000 0.972 446 R CB 0.366 30.560 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.184 120.203 120.400 -0.022 0.000 2.369 447 D HA -0.010 4.630 4.640 -0.000 0.000 0.211 447 D C 1.407 177.807 176.300 0.167 0.000 1.077 447 D CA 0.178 54.214 54.000 0.060 0.000 0.842 447 D CB 0.295 41.104 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.811 121.421 120.500 0.185 0.000 2.303 448 R HA -0.002 4.338 4.340 -0.000 0.000 0.225 448 R C 0.994 177.283 176.300 -0.019 0.000 1.114 448 R CA 1.095 57.317 56.100 0.204 0.000 1.007 448 R CB -0.420 29.967 30.300 0.144 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.283 118.886 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 449 N C -0.407 174.956 175.510 -0.245 0.000 1.101 449 N CA 0.253 53.162 53.050 -0.235 0.000 0.881 449 N CB 0.060 38.356 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.577 120.562 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 -0.000 0.000 0.302 450 H C -1.201 173.962 175.328 -0.274 0.000 1.069 450 H CA -1.204 54.741 56.048 -0.171 0.000 1.446 450 H CB 1.539 31.237 29.762 -0.107 0.000 1.462 450 H HN 0.030 nan 8.280 nan 0.000 0.499 451 P HA -0.154 nan 4.420 nan 0.000 0.218 451 P C 1.384 178.265 177.300 -0.698 0.000 1.148 451 P CA 1.167 63.923 63.100 -0.574 0.000 0.822 451 P CB 0.213 31.318 31.700 -0.991 0.000 0.784 452 S N -1.312 114.048 115.700 -0.566 0.000 2.447 452 S HA -0.013 4.457 4.470 -0.000 0.000 0.233 452 S C 1.052 175.615 174.600 -0.061 0.000 1.006 452 S CA 0.169 58.212 58.200 -0.262 0.000 0.957 452 S CB -1.310 61.856 63.200 -0.058 0.000 0.773 452 S HN -0.070 nan 8.310 nan 0.000 0.507 453 V N 3.477 123.315 119.914 -0.127 0.000 2.470 453 V HA 0.263 4.382 4.120 -0.000 0.000 0.276 453 V C 0.984 176.929 176.094 -0.248 0.000 1.040 453 V CA -0.079 62.112 62.300 -0.181 0.000 1.008 453 V CB 0.615 32.236 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.664 123.130 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 -0.000 0.000 0.331 454 I C 0.240 176.231 176.117 -0.210 0.000 1.348 454 I CA 0.336 61.542 61.300 -0.157 0.000 1.152 454 I CB 0.495 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.311 nan 8.210 nan 0.000 0.410 455 I N 0.247 120.665 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 455 I C -1.626 174.371 176.117 -0.199 0.000 1.219 455 I CA -0.434 60.760 61.300 -0.177 0.000 1.030 455 I CB 2.169 40.163 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.552 124.897 121.300 0.075 0.000 2.496 456 W HA 0.637 5.296 4.660 -0.000 0.000 0.327 456 W C 0.312 176.894 176.519 0.105 0.000 1.086 456 W CA -0.703 56.693 57.345 0.085 0.000 1.222 456 W CB 1.723 31.228 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.898 118.828 115.700 0.383 0.000 2.532 457 S HA 0.391 4.860 4.470 -0.000 0.000 0.299 457 S C 0.249 175.019 174.600 0.283 0.000 1.105 457 S CA -0.710 57.665 58.200 0.291 0.000 1.018 457 S CB 0.815 64.140 63.200 0.208 0.000 1.021 457 S HN 0.595 nan 8.310 nan 0.000 0.483 458 L N 4.099 125.487 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 -0.000 0.000 0.232 458 L C 1.424 178.389 176.870 0.158 0.000 1.149 458 L CA 0.576 55.515 54.840 0.165 0.000 0.872 458 L CB -1.218 40.845 42.059 0.006 0.000 0.992 458 L HN 0.999 nan 8.230 nan 0.000 0.447 459 G N -0.001 108.963 108.800 0.274 0.000 2.250 459 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.252 459 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.252 459 G C -1.660 173.432 174.900 0.320 0.000 1.325 459 G CA -0.528 44.729 45.100 0.262 0.000 1.091 459 G HN 0.183 nan 8.290 nan 0.000 0.476 460 N N 0.184 119.025 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 460 N C -0.531 174.943 175.510 -0.060 0.000 1.184 460 N CA 0.149 53.195 53.050 -0.007 0.000 0.875 460 N CB 1.397 39.620 38.487 -0.440 0.000 1.630 460 N HN 0.947 nan 8.380 nan 0.000 0.486 461 E N 0.720 120.790 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 -0.000 0.000 0.166 461 E C -0.840 175.691 176.600 -0.115 0.000 1.514 461 E CA 0.791 56.993 56.400 -0.330 0.000 0.646 461 E CB -1.561 27.646 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.057 115.834 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 -0.000 0.000 0.251 462 S C 0.762 175.535 174.600 0.287 0.000 1.029 462 S CA -0.177 58.148 58.200 0.208 0.000 1.062 462 S CB 1.405 64.776 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.060 110.974 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G C -0.500 174.620 174.900 0.367 0.000 1.264 463 G CA 0.021 45.235 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.500 119.698 119.070 0.215 0.000 2.840 464 H HA 0.582 5.137 4.556 -0.000 0.000 0.340 464 H C 0.157 175.663 175.328 0.297 0.000 1.004 464 H CA 0.090 56.292 56.048 0.257 0.000 1.288 464 H CB 0.934 30.776 29.762 0.133 0.000 1.607 464 H HN 1.219 nan 8.280 nan 0.000 0.522 465 G N 1.400 110.203 108.800 0.005 0.000 2.680 465 G HA2 0.458 4.417 3.960 -0.000 0.000 0.290 465 G HA3 0.458 4.417 3.960 -0.000 0.000 0.290 465 G C 0.501 175.231 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.238 0.000 0.903 465 G HN 0.657 nan 8.290 nan 0.000 0.474 466 A N 0.369 123.071 122.820 -0.197 0.000 1.986 466 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 466 A C 2.117 179.664 177.584 -0.061 0.000 1.171 466 A CA 2.046 54.025 52.037 -0.097 0.000 0.640 466 A CB -0.461 18.508 19.000 -0.052 0.000 0.811 466 A HN 0.549 nan 8.150 nan 0.000 0.451 467 N N -0.293 118.327 118.700 -0.133 0.000 2.205 467 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 467 N C 1.372 176.818 175.510 -0.106 0.000 1.015 467 N CA 1.729 54.694 53.050 -0.141 0.000 0.862 467 N CB -0.705 37.667 38.487 -0.192 0.000 0.986 467 N HN 0.802 nan 8.380 nan 0.000 0.429 468 H N 0.484 119.509 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 -0.000 0.000 0.300 468 H C 1.275 176.654 175.328 0.086 0.000 1.087 468 H CA 1.328 57.347 56.048 -0.048 0.000 1.319 468 H CB 0.130 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.495 121.041 120.400 0.242 0.000 2.104 469 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 469 D C 2.301 178.750 176.300 0.248 0.000 0.994 469 D CA 1.244 55.386 54.000 0.236 0.000 0.830 469 D CB -0.561 40.348 40.800 0.181 0.000 0.959 469 D HN 0.431 nan 8.370 nan 0.000 0.452 470 A N 0.702 123.618 122.820 0.160 0.000 1.908 470 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 470 A C 2.407 180.102 177.584 0.184 0.000 1.181 470 A CA 1.019 53.143 52.037 0.145 0.000 0.627 470 A CB -0.742 18.301 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.315 119.005 121.223 0.162 0.000 2.109 471 L HA -0.131 4.208 4.340 -0.000 0.000 0.207 471 L C 2.561 179.581 176.870 0.249 0.000 1.086 471 L CA 1.478 56.414 54.840 0.161 0.000 0.760 471 L CB -0.682 41.405 42.059 0.048 0.000 0.910 471 L HN 0.599 nan 8.230 nan 0.000 0.437 472 Y N 0.908 121.294 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 472 Y C 2.899 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.598 59.783 58.100 0.142 0.000 1.135 472 Y CB -0.206 38.337 38.460 0.139 0.000 0.970 472 Y HN -0.058 nan 8.280 nan 0.000 0.498 473 R N 0.055 120.683 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 473 R C 2.116 178.419 176.300 0.005 0.000 1.137 473 R CA 2.050 58.202 56.100 0.086 0.000 0.951 473 R CB -1.736 28.685 30.300 0.202 0.000 0.851 473 R HN 0.681 nan 8.270 nan 0.000 0.434 474 W N 1.243 122.503 121.300 -0.065 0.000 2.318 474 W HA -0.197 4.463 4.660 -0.000 0.000 0.313 474 W C 1.964 178.392 176.519 -0.152 0.000 1.221 474 W CA 1.954 59.245 57.345 -0.090 0.000 1.266 474 W CB -0.442 28.970 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.649 121.204 120.570 -0.024 0.000 2.226 475 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 475 I C 2.405 178.288 176.117 -0.390 0.000 1.100 475 I CA 1.338 62.451 61.300 -0.311 0.000 1.374 475 I CB -0.911 36.987 38.000 -0.169 0.000 1.057 475 I HN -0.092 nan 8.210 nan 0.000 0.413 476 K N 1.103 121.302 120.400 -0.335 0.000 2.113 476 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 476 K C 2.221 178.670 176.600 -0.251 0.000 1.047 476 K CA 1.661 57.777 56.287 -0.285 0.000 0.928 476 K CB -0.589 31.730 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.402 115.912 115.700 -0.316 0.000 2.395 477 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 477 S C 2.230 176.605 174.600 -0.375 0.000 1.027 477 S CA 0.796 58.818 58.200 -0.298 0.000 0.965 477 S CB -0.170 62.867 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.379 120.929 119.914 -0.607 0.000 2.488 478 V HA 0.057 4.177 4.120 -0.000 0.000 0.246 478 V C 0.380 176.237 176.094 -0.395 0.000 1.046 478 V CA 1.252 63.182 62.300 -0.616 0.000 1.053 478 V CB -0.257 30.877 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.881 119.323 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 -0.000 0.000 0.248 479 D C -2.238 174.043 176.300 -0.032 0.000 1.326 479 D CA -1.657 52.268 54.000 -0.124 0.000 0.973 479 D CB 1.902 42.709 40.800 0.013 0.000 1.255 479 D HN 0.071 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.240 480 P C 1.201 178.518 177.300 0.028 0.000 1.190 480 P CA 0.286 63.375 63.100 -0.019 0.000 0.781 480 P CB 0.288 31.967 31.700 -0.034 0.000 0.931 481 S N -0.606 115.122 115.700 0.047 0.000 2.481 481 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 481 S C 0.890 175.520 174.600 0.049 0.000 0.996 481 S CA 0.101 58.333 58.200 0.053 0.000 0.942 481 S CB -0.433 62.792 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.823 121.372 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 -0.000 0.000 0.277 482 R C -3.209 173.156 176.300 0.109 0.000 0.987 482 R CA -2.322 53.800 56.100 0.035 0.000 0.901 482 R CB 1.439 31.651 30.300 -0.146 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.219 nan 4.420 nan 0.000 0.276 483 P C -0.822 176.580 177.300 0.170 0.000 1.244 483 P CA -0.526 62.638 63.100 0.105 0.000 0.801 483 P CB 0.866 32.611 31.700 0.075 0.000 1.006 484 V N 2.135 122.173 119.914 0.207 0.000 2.555 484 V HA 0.450 4.570 4.120 -0.000 0.000 0.302 484 V C 0.168 176.441 176.094 0.297 0.000 1.038 484 V CA -0.388 62.081 62.300 0.282 0.000 0.887 484 V CB 1.375 33.349 31.823 0.252 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.437 123.398 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 -0.000 0.000 0.281 485 Q C -1.798 174.365 176.000 0.271 0.000 1.099 485 Q CA -0.980 54.952 55.803 0.215 0.000 0.806 485 Q CB 2.955 31.766 28.738 0.121 0.000 1.419 485 Q HN 0.651 nan 8.270 nan 0.000 0.427 486 Y N 0.126 120.445 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 -0.000 0.000 0.319 486 Y C -0.444 175.408 175.900 -0.080 0.000 1.225 486 Y CA -0.634 57.454 58.100 -0.021 0.000 1.095 486 Y CB 2.015 40.457 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.281 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 487 E C 0.749 176.918 176.600 -0.718 0.000 0.986 487 E CA 0.800 56.839 56.400 -0.602 0.000 0.849 487 E CB 0.186 29.648 29.700 -0.398 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.000 107.973 108.800 -1.380 0.000 2.464 488 G HA2 0.174 4.134 3.960 -0.000 0.000 0.231 488 G HA3 0.174 4.134 3.960 -0.000 0.000 0.231 488 G C 0.790 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.372 45.061 45.100 -0.685 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.356 108.408 108.800 -0.060 0.000 2.221 489 G HA2 0.233 4.193 3.960 -0.000 0.000 0.265 489 G HA3 0.233 4.193 3.960 -0.000 0.000 0.265 489 G C 1.290 176.188 174.900 -0.004 0.000 1.041 489 G CA 1.001 46.121 45.100 0.033 0.000 0.807 489 G HN 2.636 nan 8.290 nan 0.000 0.502 490 G N -1.663 107.132 108.800 -0.010 0.000 2.229 490 G HA2 0.410 4.370 3.960 -0.000 0.000 0.189 490 G HA3 0.410 4.370 3.960 -0.000 0.000 0.189 490 G C 1.104 176.102 174.900 0.164 0.000 1.000 490 G CA 1.307 46.457 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.220 122.592 122.820 -0.013 0.000 3.413 491 A HA -0.108 4.212 4.320 -0.000 0.000 0.268 491 A C 1.104 178.649 177.584 -0.065 0.000 1.128 491 A CA 2.658 54.641 52.037 -0.091 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.148 0.000 1.121 491 A HN 2.108 nan 8.150 nan 0.000 0.895 492 D N -1.159 119.269 120.400 0.047 0.000 2.636 492 D HA 0.294 4.934 4.640 -0.000 0.000 0.270 492 D C 0.461 176.757 176.300 -0.008 0.000 1.430 492 D CA 0.825 54.862 54.000 0.063 0.000 0.796 492 D CB -1.159 39.821 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.658 111.825 114.554 -0.118 0.000 2.698 493 T HA 0.128 4.478 4.350 -0.000 0.000 0.295 493 T C 1.625 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.565 62.524 62.100 -0.236 0.000 0.980 493 T CB 1.090 69.607 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.572 112.842 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 -0.000 0.000 0.270 494 T C 1.714 176.149 174.700 -0.443 0.000 1.107 494 T CA 0.880 62.851 62.100 -0.215 0.000 1.118 494 T CB -0.893 67.919 68.868 -0.093 0.000 0.889 494 T HN 0.845 nan 8.240 nan 0.000 0.506 495 A N 0.110 122.701 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 -0.000 0.000 0.227 495 A C 1.009 178.405 177.584 -0.315 0.000 1.259 495 A CA 0.115 51.872 52.037 -0.467 0.000 0.870 495 A CB -0.221 18.775 19.000 -0.006 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.691 112.719 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 -0.000 0.000 0.299 496 T C -0.545 174.185 174.700 0.050 0.000 1.052 496 T CA -0.469 61.638 62.100 0.011 0.000 0.996 496 T CB 1.351 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.535 123.042 120.400 0.179 0.000 2.348 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.211 497 D C 0.277 176.614 176.300 0.062 0.000 0.998 497 D CA 0.672 54.761 54.000 0.150 0.000 0.873 497 D CB 0.397 41.313 40.800 0.193 0.000 0.925 497 D HN 0.524 nan 8.370 nan 0.000 0.524 498 I N 0.603 121.191 120.570 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 -0.000 0.000 0.295 498 I C -0.381 175.682 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.976 40.967 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.160 125.632 120.570 -0.163 0.000 2.436 499 I HA 0.096 4.266 4.170 -0.000 0.000 0.289 499 I C 0.000 175.926 176.117 -0.319 0.000 1.083 499 I CA -0.054 61.064 61.300 -0.302 0.000 1.372 499 I CB 0.164 37.889 38.000 -0.459 0.000 1.408 499 I HN 0.634 nan 8.210 nan 0.000 0.516 500 C N 5.493 124.620 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 -0.000 0.000 0.208 500 C C -2.224 172.627 174.990 -0.231 0.000 1.422 500 C CA -2.274 56.615 59.018 -0.215 0.000 1.437 500 C CB -0.925 26.747 27.740 -0.114 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.371 nan 4.420 nan 0.000 0.274 501 P C -0.464 176.762 177.300 -0.124 0.000 1.256 501 P CA 0.075 63.051 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.243 0.000 1.038 502 M N -0.160 119.395 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 -0.000 0.000 0.323 502 M C -0.942 175.332 176.300 -0.042 0.000 1.004 502 M CA -0.599 54.575 55.300 -0.210 0.000 0.941 502 M CB 1.276 33.726 32.600 -0.249 0.000 1.579 502 M HN 0.348 nan 8.290 nan 0.000 0.427 503 Y N -0.113 120.326 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 -0.000 0.000 0.233 503 Y C 0.478 176.525 175.900 0.245 0.000 1.101 503 Y CA 0.428 58.669 58.100 0.235 0.000 2.010 503 Y CB -2.256 36.312 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.268 124.285 122.820 0.329 0.000 2.425 504 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 504 A C 0.706 178.485 177.584 0.324 0.000 1.084 504 A CA -0.476 51.757 52.037 0.326 0.000 0.781 504 A CB 0.395 19.613 19.000 0.364 0.000 1.019 504 A HN 0.398 nan 8.150 nan 0.000 0.490 505 R N 1.565 122.192 120.500 0.212 0.000 2.577 505 R HA 0.300 4.640 4.340 -0.000 0.000 0.269 505 R C 0.981 177.252 176.300 -0.048 0.000 1.084 505 R CA -0.732 55.429 56.100 0.101 0.000 1.163 505 R CB 0.578 30.913 30.300 0.058 0.000 1.100 505 R HN 0.480 nan 8.270 nan 0.000 0.547 506 V N 0.861 120.595 119.914 -0.299 0.000 2.261 506 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 506 V C 1.027 177.001 176.094 -0.201 0.000 1.047 506 V CA 1.934 64.004 62.300 -0.384 0.000 1.015 506 V CB -0.244 31.238 31.823 -0.568 0.000 0.642 506 V HN 0.780 nan 8.190 nan 0.000 0.446 507 D N -0.970 119.345 120.400 -0.141 0.000 2.474 507 D HA 0.107 4.747 4.640 -0.000 0.000 0.213 507 D C 0.624 176.905 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.022 54.000 -0.080 0.000 0.836 507 D CB 0.596 41.353 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.187 121.376 120.200 -0.019 0.000 2.191 508 E HA 0.367 4.717 4.350 -0.000 0.000 0.274 508 E C -0.856 175.750 176.600 0.009 0.000 0.948 508 E CA -0.773 55.625 56.400 -0.004 0.000 0.802 508 E CB 1.617 31.311 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.342 122.744 120.400 0.003 0.000 2.225 509 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 509 D C -0.607 175.591 176.300 -0.170 0.000 1.052 509 D CA -0.218 53.774 54.000 -0.014 0.000 0.909 509 D CB 1.356 42.215 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.575 121.160 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 -0.000 0.000 0.252 510 Q C -2.286 173.039 176.000 -1.125 0.000 1.015 510 Q CA -1.595 53.787 55.803 -0.701 0.000 0.720 510 Q CB 2.448 30.811 28.738 -0.624 0.000 1.215 510 Q HN 0.133 nan 8.270 nan 0.000 0.500 511 P HA 0.067 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.169 177.300 -0.581 0.000 1.826 511 P CA -0.152 62.511 63.100 -0.729 0.000 0.977 511 P CB -0.545 30.932 31.700 -0.372 0.000 1.930 512 F N 2.298 122.099 119.950 -0.247 0.000 2.459 512 F HA 0.241 4.768 4.527 -0.000 0.000 0.346 512 F C -1.188 174.506 175.800 -0.176 0.000 1.128 512 F CA -2.605 55.294 58.000 -0.168 0.000 1.268 512 F CB -0.446 38.472 39.000 -0.136 0.000 1.161 512 F HN 0.045 nan 8.300 nan 0.000 0.583 513 P HA 0.063 nan 4.420 nan 0.000 0.268 513 P C 0.338 177.655 177.300 0.029 0.000 1.204 513 P CA 0.912 64.030 63.100 0.031 0.000 0.768 513 P CB 1.153 32.872 31.700 0.032 0.000 0.842 514 A N 3.018 125.841 122.820 0.005 0.000 3.292 514 A HA -0.247 4.073 4.320 -0.000 0.000 0.241 514 A C 0.687 178.271 177.584 -0.000 0.000 0.569 514 A CA 2.063 54.105 52.037 0.010 0.000 1.149 514 A CB -2.638 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.723 116.191 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 515 V C -2.640 173.456 176.094 0.004 0.000 1.035 515 V CA -1.104 61.195 62.300 -0.002 0.000 1.185 515 V CB 0.824 32.661 31.823 0.022 0.000 1.178 515 V HN 0.444 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.118 177.300 -0.784 0.000 1.230 516 P CA 0.092 62.810 63.100 -0.636 0.000 0.788 516 P CB 0.990 31.918 31.700 -1.287 0.000 0.949 517 K N 1.916 121.874 120.400 -0.736 0.000 2.521 517 K HA 0.235 4.554 4.320 -0.000 0.000 0.248 517 K C -0.518 175.789 176.600 -0.489 0.000 0.978 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.947 517 K CB 0.700 33.256 32.500 0.094 0.000 1.165 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.623 121.300 -0.435 0.000 2.126 518 W HA 0.046 4.706 4.660 -0.000 0.000 0.346 518 W C 1.346 177.892 176.519 0.045 0.000 1.279 518 W CA -0.673 56.505 57.345 -0.278 0.000 1.259 518 W CB 0.533 29.669 29.460 -0.539 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.200 119.069 115.700 0.282 0.000 2.558 519 S HA -0.077 4.393 4.470 -0.000 0.000 0.288 519 S C 1.082 175.831 174.600 0.249 0.000 1.318 519 S CA -0.209 58.094 58.200 0.172 0.000 1.056 519 S CB 0.286 63.519 63.200 0.055 0.000 0.853 519 S HN 0.554 nan 8.310 nan 0.000 0.505 520 I N 1.103 121.775 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 520 I C 1.856 177.989 176.117 0.027 0.000 1.156 520 I CA 1.112 62.512 61.300 0.166 0.000 1.433 520 I CB -0.574 37.456 38.000 0.051 0.000 1.082 520 I HN 0.664 nan 8.210 nan 0.000 0.432 521 K N 2.135 122.455 120.400 -0.132 0.000 2.097 521 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 521 K C 2.152 178.729 176.600 -0.039 0.000 1.050 521 K CA 1.607 57.739 56.287 -0.258 0.000 0.938 521 K CB -0.338 31.897 32.500 -0.442 0.000 0.718 521 K HN 0.441 nan 8.250 nan 0.000 0.442 522 K N 0.698 121.102 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 522 K C 1.924 178.525 176.600 0.002 0.000 1.052 522 K CA 0.676 56.949 56.287 -0.023 0.000 0.945 522 K CB -0.091 32.365 32.500 -0.073 0.000 0.722 522 K HN 0.194 nan 8.250 nan 0.000 0.443 523 W N 2.041 123.300 121.300 -0.068 0.000 2.321 523 W HA -0.208 4.452 4.660 -0.000 0.000 0.306 523 W C 1.551 178.029 176.519 -0.068 0.000 1.217 523 W CA 1.296 58.610 57.345 -0.051 0.000 1.257 523 W CB -0.577 28.953 29.460 0.117 0.000 1.145 523 W HN 0.120 nan 8.180 nan 0.000 0.509 524 L N 0.852 122.218 121.223 0.237 0.000 2.127 524 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 524 L C 2.565 179.487 176.870 0.087 0.000 1.089 524 L CA 1.912 56.832 54.840 0.133 0.000 0.757 524 L CB -0.991 41.125 42.059 0.095 0.000 0.899 524 L HN -0.003 nan 8.230 nan 0.000 0.434 525 S N -0.957 114.772 115.700 0.047 0.000 2.558 525 S HA 0.109 4.578 4.470 -0.000 0.000 0.217 525 S C 0.824 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.408 57.793 58.200 0.001 0.000 0.912 525 S CB -0.463 62.733 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.520 123.697 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 -0.000 0.000 0.285 526 L C -2.227 174.606 176.870 -0.062 0.000 1.236 526 L CA -1.543 53.217 54.840 -0.134 0.000 0.871 526 L CB -0.418 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.840 178.129 177.300 -0.019 0.000 1.185 527 P CA 0.930 64.004 63.100 -0.043 0.000 0.763 527 P CB 0.626 32.296 31.700 -0.051 0.000 0.776 528 G N 2.068 110.865 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.074 45.179 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.241 121.459 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 -0.000 0.000 0.270 529 E C 1.420 178.043 176.600 0.038 0.000 1.021 529 E CA 0.833 57.265 56.400 0.053 0.000 0.887 529 E CB 0.768 30.529 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.748 115.322 114.554 0.033 0.000 3.009 530 T HA 0.312 4.661 4.350 -0.000 0.000 0.267 530 T C 0.625 175.333 174.700 0.014 0.000 0.942 530 T CA -0.430 61.684 62.100 0.022 0.000 0.883 530 T CB 0.091 68.972 68.868 0.020 0.000 1.192 530 T HN 0.265 nan 8.240 nan 0.000 0.524 531 R N 2.270 122.776 120.500 0.009 0.000 2.707 531 R HA 0.436 4.776 4.340 -0.000 0.000 0.270 531 R C -2.522 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.591 54.504 56.100 -0.009 0.000 1.182 531 R CB 0.000 30.290 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.168 nan 4.420 nan 0.000 0.278 532 P C -1.152 176.079 177.300 -0.115 0.000 1.258 532 P CA -0.279 62.780 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.395 31.700 -0.068 0.000 1.063 533 L N 1.965 123.100 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 533 L C -1.237 175.495 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.858 42.777 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.329 125.766 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 534 I C -0.908 175.109 176.117 -0.167 0.000 1.069 534 I CA -0.539 60.620 61.300 -0.235 0.000 1.056 534 I CB 2.099 40.007 38.000 -0.153 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.560 126.657 121.223 -0.211 0.000 2.367 535 L HA 0.118 4.458 4.340 -0.000 0.000 0.275 535 L C 1.381 178.314 176.870 0.105 0.000 1.129 535 L CA -0.215 54.565 54.840 -0.100 0.000 0.839 535 L CB 0.767 42.746 42.059 -0.132 0.000 1.133 535 L HN 0.861 nan 8.230 nan 0.000 0.453 536 C N 0.018 119.360 119.300 0.070 0.000 2.464 536 C HA 0.175 4.635 4.460 -0.000 0.000 0.278 536 C C 0.679 175.784 174.990 0.191 0.000 1.375 536 C CA -0.147 58.955 59.018 0.141 0.000 1.761 536 C CB -0.964 26.776 27.740 -0.000 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.899 119.334 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 -0.000 0.000 0.277 537 E C -1.272 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.399 55.998 56.400 -0.006 0.000 0.764 537 E CB 2.035 31.486 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.389 119.870 120.300 -0.069 0.000 2.656 538 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 538 Y C -0.731 175.326 175.900 0.262 0.000 1.179 538 Y CA -0.894 57.202 58.100 -0.007 0.000 1.050 538 Y CB 0.978 39.312 38.460 -0.212 0.000 1.308 538 Y HN 0.660 nan 8.280 nan 0.000 0.456 539 A N 2.225 125.101 122.820 0.092 0.000 2.303 539 A HA -0.273 4.046 4.320 -0.000 0.000 0.286 539 A C -0.247 177.454 177.584 0.194 0.000 1.429 539 A CA 1.076 53.155 52.037 0.070 0.000 0.738 539 A CB -2.498 16.421 19.000 -0.135 0.000 1.149 539 A HN 1.114 nan 8.150 nan 0.000 0.364 540 H N 0.551 119.763 119.070 0.238 0.000 3.237 540 H HA 0.159 4.715 4.556 -0.000 0.000 0.270 540 H C 1.266 176.637 175.328 0.072 0.000 0.900 540 H CA 0.802 56.984 56.048 0.223 0.000 1.415 540 H CB 0.386 30.156 29.762 0.012 0.000 1.484 540 H HN 0.840 nan 8.280 nan 0.000 0.540 541 A N 6.457 129.148 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.350 4.320 -0.000 0.000 0.252 541 A C 0.980 178.385 177.584 -0.299 0.000 1.353 541 A CA -0.343 51.549 52.037 -0.242 0.000 0.996 541 A CB -0.535 18.317 19.000 -0.246 0.000 0.961 541 A HN 0.790 nan 8.150 nan 0.000 0.523 542 M N 1.314 120.703 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 -0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.240 56.369 55.300 -0.286 0.000 1.161 542 M CB -0.372 32.090 32.600 -0.230 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.507 113.159 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G C -0.186 174.284 174.900 -0.715 0.000 1.190 543 G CA 0.069 44.887 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.498 119.603 118.700 -0.993 0.000 2.466 544 N HA 0.507 5.246 4.740 -0.000 0.000 0.263 544 N C 0.022 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.111 53.699 53.050 -0.770 0.000 0.983 544 N CB 0.422 38.462 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.702 117.237 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 -0.000 0.000 0.325 545 S C -0.111 174.413 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.165 63.275 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.206 121.382 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 -0.000 0.000 0.409 546 L C 0.452 177.349 176.870 0.046 0.000 1.100 546 L CA 0.915 55.731 54.840 -0.040 0.000 1.029 546 L CB -1.729 40.225 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.758 108.042 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 -0.000 0.000 0.254 547 G C 1.215 176.157 174.900 0.071 0.000 1.277 547 G CA 0.192 45.277 45.100 -0.025 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.875 110.729 108.800 0.091 0.000 2.179 548 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 548 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 548 G C 1.025 176.127 174.900 0.336 0.000 0.990 548 G CA 0.642 45.847 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.069 122.149 119.950 0.216 0.000 2.087 549 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 549 F C 2.740 178.772 175.800 0.387 0.000 1.100 549 F CA 2.855 61.052 58.000 0.328 0.000 1.226 549 F CB -0.532 38.587 39.000 0.199 0.000 0.983 549 F HN 0.382 nan 8.300 nan 0.000 0.479 550 A N -0.193 122.786 122.820 0.266 0.000 1.978 550 A HA -0.225 4.094 4.320 -0.000 0.000 0.220 550 A C 2.312 179.909 177.584 0.021 0.000 1.170 550 A CA 1.719 53.840 52.037 0.141 0.000 0.636 550 A CB -0.692 18.397 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.387 119.009 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 551 K C 1.844 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.050 58.240 56.287 -0.162 0.000 0.927 551 K CB -0.435 31.947 32.500 -0.196 0.000 0.713 551 K HN 0.665 nan 8.250 nan 0.000 0.443 552 Y N -0.518 119.493 120.300 -0.482 0.000 2.097 552 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 552 Y C 2.297 177.186 175.900 -1.684 0.000 1.152 552 Y CA 1.542 58.978 58.100 -1.107 0.000 1.136 552 Y CB -0.577 37.243 38.460 -1.066 0.000 0.975 552 Y HN 0.184 nan 8.280 nan 0.000 0.498 553 W N 0.366 121.227 121.300 -0.731 0.000 2.338 553 W HA -0.254 4.406 4.660 -0.000 0.000 0.304 553 W C 2.714 179.045 176.519 -0.313 0.000 1.212 553 W CA 2.043 59.092 57.345 -0.494 0.000 1.264 553 W CB -0.741 28.515 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.203 119.895 119.800 -0.181 0.000 2.079 554 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 554 Q C 2.275 178.197 176.000 -0.130 0.000 0.974 554 Q CA 1.931 57.675 55.803 -0.100 0.000 0.840 554 Q CB -0.398 28.298 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.360 123.003 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 555 A C 1.865 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.127 53.035 52.037 -0.214 0.000 0.623 555 A CB -1.072 17.675 19.000 -0.422 0.000 0.818 555 A HN 0.536 nan 8.150 nan 0.000 0.443 556 F N -0.297 119.468 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 556 F C 2.757 178.452 175.800 -0.175 0.000 1.095 556 F CA 1.228 59.016 58.000 -0.353 0.000 1.249 556 F CB -0.190 38.395 39.000 -0.690 0.000 0.995 556 F HN 0.158 nan 8.300 nan 0.000 0.480 557 R N 0.037 120.590 120.500 0.089 0.000 2.148 557 R HA -0.183 4.157 4.340 -0.000 0.000 0.227 557 R C 2.067 178.400 176.300 0.054 0.000 1.103 557 R CA 1.283 57.422 56.100 0.064 0.000 0.983 557 R CB -0.383 29.950 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.417 119.444 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 558 Q C -0.582 175.442 176.000 0.040 0.000 0.921 558 Q CA 0.535 56.383 55.803 0.074 0.000 0.911 558 Q CB 0.534 29.332 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.332 120.608 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 -0.000 0.000 0.336 559 Y C -1.807 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.914 55.163 58.100 -0.039 0.000 1.164 559 Y CB 1.507 39.947 38.460 -0.034 0.000 1.155 559 Y HN 0.072 nan 8.280 nan 0.000 0.478 560 P HA -0.221 nan 4.420 nan 0.000 0.215 560 P C 1.265 178.564 177.300 -0.001 0.000 1.163 560 P CA 1.885 64.988 63.100 0.004 0.000 0.894 560 P CB 0.335 32.022 31.700 -0.021 0.000 0.791 561 R N -1.097 119.420 120.500 0.028 0.000 2.316 561 R HA 0.065 4.405 4.340 -0.000 0.000 0.202 561 R C 0.542 176.818 176.300 -0.039 0.000 1.029 561 R CA 0.242 56.340 56.100 -0.003 0.000 1.018 561 R CB -0.555 29.754 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.037 123.252 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 -0.000 0.000 0.287 562 L C 0.683 177.414 176.870 -0.232 0.000 1.075 562 L CA 0.106 54.892 54.840 -0.090 0.000 0.839 562 L CB 1.185 43.260 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.879 122.474 119.800 -0.342 0.000 2.201 563 Q HA 0.332 4.672 4.340 -0.000 0.000 0.217 563 Q C 0.845 176.440 176.000 -0.675 0.000 0.860 563 Q CA 0.101 55.659 55.803 -0.409 0.000 0.984 563 Q CB 0.978 29.564 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.289 107.753 108.800 -1.263 0.000 2.416 564 G HA2 0.142 4.102 3.960 -0.000 0.000 0.203 564 G HA3 0.142 4.102 3.960 -0.000 0.000 0.203 564 G C -0.337 173.805 174.900 -1.263 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.764 0.000 1.041 564 G HN 0.583 nan 8.290 nan 0.000 0.546 565 G N -2.233 106.049 108.800 -0.863 0.000 2.342 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 565 G C -1.872 172.900 174.900 -0.213 0.000 1.313 565 G CA -0.323 44.479 45.100 -0.496 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.490 120.666 119.950 0.376 0.000 2.449 566 F HA 0.543 5.069 4.527 -0.000 0.000 0.342 566 F C 0.675 176.751 175.800 0.459 0.000 1.127 566 F CA -0.774 57.471 58.000 0.408 0.000 0.975 566 F CB 2.236 41.374 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.172 123.380 119.914 0.490 0.000 2.811 567 V HA -0.050 4.070 4.120 -0.000 0.000 0.302 567 V C -0.404 175.838 176.094 0.247 0.000 1.063 567 V CA -0.441 61.958 62.300 0.165 0.000 1.088 567 V CB 1.014 32.908 31.823 0.119 0.000 0.982 567 V HN 0.764 nan 8.190 nan 0.000 0.485 568 W N 6.473 127.831 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 -0.000 0.000 0.315 568 W C -0.926 175.587 176.519 -0.010 0.000 1.016 568 W CA -0.627 56.800 57.345 0.136 0.000 1.318 568 W CB 1.379 31.053 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.058 123.122 120.400 -0.559 0.000 2.752 569 D HA 0.071 4.711 4.640 -0.000 0.000 0.313 569 D C 0.664 176.727 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.306 40.033 40.800 -1.789 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.727 121.697 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 -0.000 0.000 0.326 570 W C -0.026 176.242 176.519 -0.418 0.000 1.224 570 W CA 1.514 58.590 57.345 -0.448 0.000 1.257 570 W CB 0.135 29.366 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.915 120.624 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 -0.000 0.000 0.312 571 V C -0.500 175.384 176.094 -0.351 0.000 1.061 571 V CA -1.175 60.851 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.060 31.823 -0.247 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.051 122.259 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 -0.000 0.000 0.239 572 D C 0.090 176.222 176.300 -0.280 0.000 1.136 572 D CA 0.365 54.226 54.000 -0.233 0.000 0.879 572 D CB 1.120 41.881 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.980 120.561 119.800 -0.365 0.000 3.207 573 Q HA 0.151 4.491 4.340 -0.000 0.000 0.335 573 Q C -0.370 175.624 176.000 -0.010 0.000 1.374 573 Q CA -0.326 55.087 55.803 -0.649 0.000 1.023 573 Q CB 0.191 28.613 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.007 115.795 115.700 0.171 0.000 2.549 574 S HA 0.689 5.159 4.470 -0.000 0.000 0.297 574 S C -0.246 174.549 174.600 0.325 0.000 1.115 574 S CA -0.834 57.574 58.200 0.347 0.000 1.059 574 S CB 1.644 65.008 63.200 0.273 0.000 1.046 574 S HN 0.312 nan 8.310 nan 0.000 0.506 575 L N 1.719 123.053 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 575 L C -0.424 176.365 176.870 -0.135 0.000 1.013 575 L CA -1.097 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.434 43.335 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.730 122.159 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 576 I C 0.056 175.793 176.117 -0.635 0.000 1.016 576 I CA 0.159 61.195 61.300 -0.441 0.000 1.348 576 I CB 0.888 38.648 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.306 124.024 120.400 -1.136 0.000 2.466 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.260 577 K C -1.778 174.049 176.600 -1.287 0.000 1.011 577 K CA -0.872 54.699 56.287 -1.194 0.000 0.871 577 K CB 2.315 33.816 32.500 -1.665 0.000 1.404 577 K HN 0.245 nan 8.250 nan 0.000 0.450 578 Y N 0.340 120.433 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.747 4.550 -0.000 0.000 0.347 578 Y C -0.026 176.016 175.900 0.237 0.000 0.987 578 Y CA -1.228 56.863 58.100 -0.015 0.000 1.044 578 Y CB 1.226 39.678 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.374 120.305 120.400 0.466 0.000 2.432 579 D HA 0.157 4.797 4.640 -0.000 0.000 0.258 579 D C 0.470 176.890 176.300 0.199 0.000 1.146 579 D CA -0.566 53.617 54.000 0.305 0.000 1.015 579 D CB 0.755 41.671 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.023 120.248 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 580 E C 0.783 177.421 176.600 0.063 0.000 0.998 580 E CA 1.366 57.808 56.400 0.069 0.000 0.806 580 E CB -0.666 29.057 29.700 0.038 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.529 119.276 118.700 0.078 0.000 2.434 581 N HA 0.115 4.854 4.740 -0.000 0.000 0.196 581 N C 0.637 176.201 175.510 0.090 0.000 1.183 581 N CA 0.828 53.918 53.050 0.068 0.000 0.849 581 N CB 0.307 38.829 38.487 0.058 0.000 0.992 581 N HN 0.316 nan 8.380 nan 0.000 0.460 582 G N 0.724 109.595 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G C -0.469 174.612 174.900 0.302 0.000 1.047 582 G CA -0.262 44.916 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.025 119.923 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 -0.000 0.000 0.285 583 N C -2.465 173.222 175.510 0.294 0.000 1.027 583 N CA -1.483 51.745 53.050 0.298 0.000 0.918 583 N CB 2.117 40.721 38.487 0.196 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.298 nan 4.420 nan 0.000 0.279 584 P C -0.558 176.659 177.300 -0.139 0.000 1.239 584 P CA -0.314 62.505 63.100 -0.468 0.000 0.789 584 P CB 0.629 32.115 31.700 -0.356 0.000 0.933 585 W N -0.162 120.865 121.300 -0.454 0.000 3.213 585 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 585 W C -1.491 174.842 176.519 -0.310 0.000 1.248 585 W CA -1.014 56.103 57.345 -0.380 0.000 1.187 585 W CB 0.264 29.363 29.460 -0.602 0.000 1.403 585 W HN 0.148 nan 8.180 nan 0.000 0.556 586 S N 1.890 117.658 115.700 0.114 0.000 2.481 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.197 174.979 174.600 0.303 0.000 1.247 586 S CA -0.245 58.025 58.200 0.117 0.000 1.053 586 S CB 0.975 64.280 63.200 0.175 0.000 0.925 586 S HN 0.664 nan 8.310 nan 0.000 0.491 587 A N 2.833 125.693 122.820 0.066 0.000 2.337 587 A HA 0.878 5.198 4.320 -0.000 0.000 0.331 587 A C -0.631 177.254 177.584 0.501 0.000 1.137 587 A CA -0.822 51.317 52.037 0.170 0.000 0.807 587 A CB 0.705 19.542 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.758 119.898 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 -0.000 0.000 0.310 588 Y C 0.620 176.899 175.900 0.633 0.000 1.480 588 Y CA -1.364 57.070 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.959 nan 8.280 nan 0.000 0.514 589 G N 0.014 109.213 108.800 0.665 0.000 2.224 589 G HA2 0.355 4.315 3.960 -0.000 0.000 0.239 589 G HA3 0.355 4.315 3.960 -0.000 0.000 0.239 589 G C 1.002 176.243 174.900 0.568 0.000 1.240 589 G CA 0.504 45.930 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.278 111.383 108.800 0.508 0.000 2.234 590 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.260 590 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.260 590 G C 0.882 175.996 174.900 0.357 0.000 0.987 590 G CA 0.717 46.049 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.360 120.288 120.400 0.413 0.000 2.392 591 D HA 0.146 4.786 4.640 -0.000 0.000 0.228 591 D C 1.249 177.407 176.300 -0.237 0.000 1.003 591 D CA 0.556 54.628 54.000 0.120 0.000 0.917 591 D CB -0.200 40.634 40.800 0.056 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.067 118.997 119.950 0.190 0.000 2.735 592 F HA 0.313 4.839 4.527 -0.000 0.000 0.308 592 F C 1.739 177.621 175.800 0.137 0.000 1.112 592 F CA -0.295 57.781 58.000 0.127 0.000 1.235 592 F CB 0.599 39.669 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.747 109.708 108.800 0.267 0.000 2.155 593 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 593 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 593 G C -0.141 174.902 174.900 0.238 0.000 0.983 593 G CA 0.305 45.530 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.447 121.043 120.400 0.327 0.000 2.425 594 D HA 0.429 5.069 4.640 -0.000 0.000 0.247 594 D C 0.010 176.441 176.300 0.219 0.000 1.147 594 D CA 0.532 54.712 54.000 0.299 0.000 0.879 594 D CB 1.189 42.225 40.800 0.392 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.330 116.984 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 -0.000 0.000 0.305 595 T C -2.360 172.383 174.700 0.073 0.000 1.064 595 T CA -0.949 61.215 62.100 0.107 0.000 1.008 595 T CB 1.975 70.900 68.868 0.095 0.000 1.078 595 T HN 0.382 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.281 596 P C -1.150 176.139 177.300 -0.018 0.000 1.281 596 P CA -0.725 62.376 63.100 0.001 0.000 0.811 596 P CB 0.788 32.461 31.700 -0.044 0.000 1.154 597 N N -1.164 117.525 118.700 -0.019 0.000 2.610 597 N HA 0.171 4.911 4.740 -0.000 0.000 0.264 597 N C -1.063 174.409 175.510 -0.063 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.533 40.094 38.487 0.124 0.000 1.521 597 N HN 0.201 nan 8.380 nan 0.000 0.497 598 D N 0.012 120.352 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 -0.000 0.000 0.221 598 D C 0.373 176.851 176.300 0.298 0.000 1.173 598 D CA -0.196 53.808 54.000 0.007 0.000 0.831 598 D CB 0.941 41.612 40.800 -0.215 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.116 120.825 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 -0.000 0.000 0.440 599 R C 1.388 177.720 176.300 0.053 0.000 0.241 599 R CA 1.822 58.126 56.100 0.339 0.000 1.395 599 R CB -1.334 29.096 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.268 119.801 119.800 -0.445 0.000 2.291 600 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 600 Q C 1.717 177.536 176.000 -0.301 0.000 0.976 600 Q CA 1.658 57.073 55.803 -0.646 0.000 0.875 600 Q CB -0.258 28.044 28.738 -0.727 0.000 0.927 600 Q HN 0.423 nan 8.270 nan 0.000 0.450 601 F N 1.090 120.913 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 -0.000 0.000 0.302 601 F C 1.691 177.397 175.800 -0.156 0.000 1.063 601 F CA 1.228 59.186 58.000 -0.070 0.000 1.319 601 F CB -0.233 38.814 39.000 0.077 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.350 117.576 119.300 -0.624 0.000 2.576 602 C HA 0.223 4.683 4.460 -0.000 0.000 0.267 602 C C 0.972 175.701 174.990 -0.436 0.000 1.364 602 C CA -0.522 58.024 59.018 -0.786 0.000 1.723 602 C CB -1.935 24.888 27.740 -1.529 0.000 1.778 602 C HN 0.200 nan 8.230 nan 0.000 0.572 603 M N 2.964 122.351 119.600 -0.356 0.000 2.036 603 M HA 0.340 4.820 4.480 -0.000 0.000 0.337 603 M C -0.473 175.658 176.300 -0.281 0.000 1.012 603 M CA 0.244 55.392 55.300 -0.253 0.000 0.962 603 M CB 0.512 33.022 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.573 120.090 118.700 -0.305 0.000 2.232 604 N HA 0.163 4.903 4.740 -0.000 0.000 0.240 604 N C 0.212 175.476 175.510 -0.411 0.000 1.307 604 N CA -0.097 52.725 53.050 -0.380 0.000 0.859 604 N CB 1.348 39.651 38.487 -0.307 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.010 108.532 108.800 -0.429 0.000 2.504 605 G HA2 0.449 4.408 3.960 -0.000 0.000 0.288 605 G HA3 0.449 4.408 3.960 -0.000 0.000 0.288 605 G C 0.889 175.329 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.286 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.244 120.521 121.223 -0.762 0.000 2.418 606 L HA 0.156 4.496 4.340 -0.000 0.000 0.218 606 L C 0.712 176.906 176.870 -1.128 0.000 1.125 606 L CA 0.273 54.655 54.840 -0.763 0.000 0.835 606 L CB -0.087 41.682 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.283 113.869 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 607 V C -0.434 175.170 176.094 -0.815 0.000 1.115 607 V CA -1.243 60.433 62.300 -1.040 0.000 0.998 607 V CB 1.682 32.967 31.823 -0.897 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.470 121.268 119.950 -0.254 0.000 2.450 608 F HA 0.543 5.070 4.527 -0.000 0.000 0.339 608 F C 1.957 177.664 175.800 -0.154 0.000 1.146 608 F CA 0.414 58.386 58.000 -0.047 0.000 1.267 608 F CB 1.390 40.394 39.000 0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.271 124.171 122.820 0.133 0.000 1.997 609 A HA -0.295 4.024 4.320 -0.000 0.000 0.221 609 A C 1.537 179.086 177.584 -0.058 0.000 1.172 609 A CA 2.186 54.240 52.037 0.028 0.000 0.645 609 A CB -1.112 17.943 19.000 0.092 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.095 117.291 120.400 -0.024 0.000 2.336 610 D HA 0.200 4.839 4.640 -0.000 0.000 0.229 610 D C 0.528 176.803 176.300 -0.042 0.000 1.061 610 D CA 0.014 53.975 54.000 -0.065 0.000 0.875 610 D CB -0.069 40.698 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.798 119.671 120.500 -0.053 0.000 3.527 611 R HA -0.118 4.222 4.340 -0.000 0.000 0.288 611 R C -0.620 175.657 176.300 -0.039 0.000 1.146 611 R CA 1.025 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.268 27.013 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.342 112.251 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 -0.000 0.000 0.279 612 T C -2.513 172.334 174.700 0.245 0.000 0.991 612 T CA -2.452 59.738 62.100 0.150 0.000 0.979 612 T CB 2.604 71.547 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.144 nan 4.420 nan 0.000 0.268 613 P C -0.142 177.202 177.300 0.073 0.000 1.205 613 P CA -0.080 62.999 63.100 -0.035 0.000 0.771 613 P CB 0.237 31.927 31.700 -0.016 0.000 0.858 614 H N 2.951 121.808 119.070 -0.356 0.000 2.495 614 H HA 0.159 4.715 4.556 -0.000 0.000 0.350 614 H C -1.260 173.958 175.328 -0.184 0.000 1.202 614 H CA -2.084 53.746 56.048 -0.363 0.000 1.322 614 H CB 0.582 30.100 29.762 -0.407 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.120 nan 4.420 nan 0.000 0.219 615 P C 1.243 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.275 64.363 63.100 -0.020 0.000 0.814 615 P CB -0.035 31.649 31.700 -0.026 0.000 0.787 616 A N 0.044 122.860 122.820 -0.006 0.000 1.986 616 A HA -0.216 4.103 4.320 -0.000 0.000 0.220 616 A C 2.119 179.645 177.584 -0.096 0.000 1.171 616 A CA 1.541 53.539 52.037 -0.065 0.000 0.640 616 A CB -1.744 17.196 19.000 -0.101 0.000 0.811 616 A HN 0.168 nan 8.150 nan 0.000 0.451 617 L N -0.040 121.141 121.223 -0.071 0.000 2.137 617 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 617 L C 2.436 179.332 176.870 0.043 0.000 1.085 617 L CA 2.741 57.566 54.840 -0.025 0.000 0.760 617 L CB -0.807 41.233 42.059 -0.031 0.000 0.893 617 L HN 0.433 nan 8.230 nan 0.000 0.434 618 T N -1.519 113.067 114.554 0.053 0.000 2.812 618 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 618 T C 1.698 176.491 174.700 0.155 0.000 1.042 618 T CA 1.202 63.388 62.100 0.142 0.000 1.140 618 T CB -0.158 68.777 68.868 0.113 0.000 0.870 618 T HN 0.335 nan 8.240 nan 0.000 0.445 619 E N 1.708 121.947 120.200 0.065 0.000 2.085 619 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 619 E C 2.229 178.836 176.600 0.011 0.000 0.994 619 E CA 1.402 57.847 56.400 0.074 0.000 0.801 619 E CB -0.534 29.176 29.700 0.018 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.907 123.623 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 620 A C 2.178 179.661 177.584 -0.169 0.000 1.186 620 A CA 2.043 53.929 52.037 -0.252 0.000 0.620 620 A CB -0.698 18.134 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.248 119.127 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 -0.000 0.000 0.209 621 K C 2.060 178.573 176.600 -0.146 0.000 1.048 621 K CA 2.121 58.397 56.287 -0.019 0.000 0.926 621 K CB -0.351 32.272 32.500 0.206 0.000 0.713 621 K HN 0.660 nan 8.250 nan 0.000 0.444 622 H N 0.309 119.217 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 -0.000 0.000 0.301 622 H C 1.919 176.973 175.328 -0.456 0.000 1.081 622 H CA 1.814 57.514 56.048 -0.580 0.000 1.334 622 H CB 0.012 29.440 29.762 -0.557 0.000 1.385 622 H HN 0.235 nan 8.280 nan 0.000 0.504 623 Q N 0.237 119.762 119.800 -0.459 0.000 2.291 623 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 623 Q C 1.655 177.116 176.000 -0.898 0.000 0.976 623 Q CA 1.242 56.685 55.803 -0.601 0.000 0.875 623 Q CB 0.014 28.511 28.738 -0.401 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.755 120.021 119.800 -0.889 0.000 2.360 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 624 Q C 0.121 175.572 176.000 -0.915 0.000 0.915 624 Q CA -0.243 54.904 55.803 -1.092 0.000 0.943 624 Q CB 0.230 28.353 28.738 -1.025 0.000 1.064 624 Q HN 0.457 nan 8.270 nan 0.000 0.511 625 Q N -0.412 118.992 119.800 -0.660 0.000 2.428 625 Q HA -0.038 4.302 4.340 -0.000 0.000 0.276 625 Q C -0.268 175.332 176.000 -0.667 0.000 1.059 625 Q CA 0.322 55.843 55.803 -0.469 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.073 119.622 119.950 -0.425 0.000 2.797 626 F HA 0.261 4.788 4.527 -0.000 0.000 0.302 626 F C -0.107 175.122 175.800 -0.953 0.000 1.130 626 F CA 0.000 57.515 58.000 -0.809 0.000 1.387 626 F CB 0.387 38.570 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.209 120.068 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 -0.000 0.000 0.327 627 F C -0.086 175.375 175.800 -0.565 0.000 1.103 627 F CA -1.037 56.778 58.000 -0.308 0.000 0.949 627 F CB 1.276 40.111 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.133 122.662 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 -0.000 0.000 0.269 628 Q C -1.432 174.223 176.000 -0.575 0.000 1.061 628 Q CA -0.662 54.875 55.803 -0.443 0.000 0.816 628 Q CB 3.047 31.676 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.345 120.413 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 -0.000 0.000 0.324 629 F C 0.495 176.519 175.800 0.374 0.000 1.077 629 F CA -0.852 57.338 58.000 0.316 0.000 0.944 629 F CB 1.989 41.287 39.000 0.497 0.000 1.175 629 F HN 0.101 nan 8.300 nan 0.000 0.468 630 R N 1.842 122.656 120.500 0.523 0.000 2.628 630 R HA 0.622 4.962 4.340 -0.000 0.000 0.288 630 R C -1.986 174.397 176.300 0.138 0.000 0.980 630 R CA -1.161 55.146 56.100 0.344 0.000 0.891 630 R CB 2.651 33.058 30.300 0.179 0.000 1.188 630 R HN 0.610 nan 8.270 nan 0.000 0.450 631 L N 1.505 122.701 121.223 -0.045 0.000 2.313 631 L HA 0.476 4.815 4.340 -0.000 0.000 0.283 631 L C -0.980 175.740 176.870 -0.249 0.000 1.013 631 L CA 0.151 54.730 54.840 -0.435 0.000 0.816 631 L CB 1.951 43.280 42.059 -1.217 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.903 119.480 115.700 -0.205 0.000 2.774 632 S HA 0.697 5.166 4.470 -0.000 0.000 0.297 632 S C 0.375 174.890 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.223 63.379 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.247 112.962 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G C 0.381 175.180 174.900 -0.168 0.000 1.166 633 G CA 0.587 45.609 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.242 120.950 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 -0.000 0.000 0.209 634 Q C -0.067 175.815 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.301 55.803 -0.182 0.000 0.974 634 Q CB 0.708 29.357 28.738 -0.149 0.000 1.115 634 Q HN 0.547 nan 8.270 nan 0.000 0.494 635 T N 0.747 115.195 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 635 T C 0.023 174.624 174.700 -0.165 0.000 0.991 635 T CA -0.401 61.611 62.100 -0.147 0.000 0.979 635 T CB 1.573 70.386 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.403 122.897 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 636 I C 0.446 176.595 176.117 0.053 0.000 0.987 636 I CA -0.716 60.547 61.300 -0.062 0.000 1.225 636 I CB 1.539 39.530 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.382 126.644 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 -0.000 0.000 0.278 637 E C -1.555 175.156 176.600 0.184 0.000 0.959 637 E CA -0.579 55.892 56.400 0.117 0.000 0.783 637 E CB 1.618 31.366 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.803 123.803 119.914 0.143 0.000 2.513 638 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 638 V C -0.116 176.002 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.090 0.000 0.889 638 V CB 1.928 33.832 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.678 117.212 114.554 -0.033 0.000 2.848 639 T HA 0.374 4.724 4.350 -0.000 0.000 0.285 639 T C -0.314 174.378 174.700 -0.013 0.000 0.995 639 T CA -0.349 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.647 70.487 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.591 117.291 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 640 S C 0.618 175.107 174.600 -0.183 0.000 1.180 640 S CA -0.587 57.558 58.200 -0.092 0.000 1.075 640 S CB 0.581 63.802 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.214 123.204 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 641 E C -0.905 175.531 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.153 56.400 -0.287 0.000 0.914 641 E CB 0.353 29.858 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.450 120.652 120.300 -0.163 0.000 2.319 642 Y HA 0.092 4.642 4.550 -0.000 0.000 0.328 642 Y C 1.396 177.144 175.900 -0.254 0.000 1.133 642 Y CA -0.252 57.731 58.100 -0.195 0.000 1.265 642 Y CB 0.976 39.300 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.707 122.787 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 643 L C 0.669 177.088 176.870 -0.753 0.000 1.084 643 L CA 0.931 55.361 54.840 -0.684 0.000 0.816 643 L CB 0.005 41.208 42.059 -1.426 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.605 119.365 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 -0.000 0.000 0.305 644 F C 1.265 177.044 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.196 58.000 -0.018 0.000 1.230 644 F CB 0.363 39.328 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.221 120.312 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 645 R C -1.114 175.172 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.344 56.100 -0.048 0.000 1.062 645 R CB 0.773 30.941 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.159 118.878 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.726 4.556 -0.000 0.000 0.338 646 H C -0.167 175.169 175.328 0.013 0.000 1.152 646 H CA -0.321 55.733 56.048 0.010 0.000 1.264 646 H CB 1.412 31.189 29.762 0.024 0.000 1.510 646 H HN 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.171 117.737 115.700 -0.224 0.000 4.053 647 S HA -0.052 4.418 4.470 -0.000 0.000 0.184 647 S C 0.204 174.919 174.600 0.192 0.000 1.324 647 S CA -0.105 58.145 58.200 0.084 0.000 0.956 647 S CB -0.865 62.387 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.557 121.075 120.400 0.197 0.000 2.328 648 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 648 D C 0.433 176.792 176.300 0.099 0.000 1.066 648 D CA -0.118 53.982 54.000 0.167 0.000 0.861 648 D CB -0.253 40.627 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.007 118.766 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 -0.000 0.000 0.293 649 N C -1.581 173.986 175.510 0.094 0.000 1.788 649 N CA -0.246 52.851 53.050 0.079 0.000 0.860 649 N CB 0.275 38.796 38.487 0.057 0.000 1.388 649 N HN -0.069 nan 8.380 nan 0.000 0.496 650 E N 0.090 120.341 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 650 E C -1.574 175.055 176.600 0.048 0.000 0.880 650 E CA -0.597 55.837 56.400 0.057 0.000 0.762 650 E CB 1.955 31.657 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.427 124.679 121.223 0.049 0.000 2.341 651 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 651 L C -1.510 175.423 176.870 0.106 0.000 1.005 651 L CA -0.922 53.973 54.840 0.092 0.000 0.818 651 L CB 1.542 43.671 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.126 126.456 121.223 0.178 0.000 2.262 652 L HA 0.446 4.785 4.340 -0.000 0.000 0.288 652 L C -0.666 176.420 176.870 0.360 0.000 1.035 652 L CA 0.077 55.051 54.840 0.224 0.000 0.820 652 L CB 0.381 42.567 42.059 0.212 0.000 1.204 652 L HN 0.568 nan 8.230 nan 0.000 0.424 653 H N 5.754 124.884 119.070 0.100 0.000 2.467 653 H HA 0.380 4.936 4.556 -0.000 0.000 0.326 653 H C -1.097 174.305 175.328 0.124 0.000 1.094 653 H CA -0.704 55.364 56.048 0.033 0.000 1.253 653 H CB 0.966 30.712 29.762 -0.025 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.438 124.806 121.300 0.113 0.000 2.929 654 W HA 0.588 5.248 4.660 -0.000 0.000 0.345 654 W C -1.405 175.152 176.519 0.064 0.000 1.151 654 W CA -1.439 55.962 57.345 0.094 0.000 1.111 654 W CB 1.576 31.083 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.191 121.146 119.600 0.591 0.000 2.569 655 M HA 0.529 5.009 4.480 -0.000 0.000 0.287 655 M C -2.642 173.904 176.300 0.410 0.000 1.130 655 M CA -0.521 54.988 55.300 0.348 0.000 0.885 655 M CB 1.769 34.374 32.600 0.009 0.000 1.759 655 M HN 0.134 nan 8.290 nan 0.000 0.515 656 V N 2.486 122.617 119.914 0.363 0.000 2.495 656 V HA 1.039 5.159 4.120 -0.000 0.000 0.298 656 V C -0.188 176.021 176.094 0.193 0.000 1.031 656 V CA 0.021 62.495 62.300 0.291 0.000 0.871 656 V CB 1.174 33.173 31.823 0.293 0.000 0.988 656 V HN 1.135 nan 8.190 nan 0.000 0.432 657 A N 4.166 127.112 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 -0.000 0.000 0.296 657 A C -1.649 176.067 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.878 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.252 122.570 121.223 0.159 0.000 2.294 658 L HA 0.581 4.920 4.340 -0.000 0.000 0.283 658 L C -0.460 176.517 176.870 0.177 0.000 1.015 658 L CA 0.284 55.233 54.840 0.181 0.000 0.831 658 L CB 0.505 42.633 42.059 0.115 0.000 1.217 658 L HN 0.769 nan 8.230 nan 0.000 0.420 659 D N 4.659 125.235 120.400 0.293 0.000 2.733 659 D HA -0.211 4.428 4.640 -0.000 0.000 0.232 659 D C 1.171 177.503 176.300 0.053 0.000 1.161 659 D CA 1.656 55.807 54.000 0.252 0.000 0.653 659 D CB -0.992 39.922 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.379 107.414 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.225 660 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.225 660 G C 0.201 175.031 174.900 -0.117 0.000 1.003 660 G CA 0.239 45.230 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.436 122.815 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 -0.000 0.000 0.286 661 K C -2.555 174.046 176.600 0.001 0.000 1.072 661 K CA -1.888 54.383 56.287 -0.026 0.000 0.913 661 K CB 1.561 34.058 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.088 177.300 0.010 0.000 1.243 662 P CA -0.072 63.022 63.100 -0.010 0.000 0.768 662 P CB 0.758 32.428 31.700 -0.051 0.000 0.856 663 L N 1.449 122.699 121.223 0.045 0.000 2.642 663 L HA 0.523 4.863 4.340 -0.000 0.000 0.233 663 L C 0.864 177.771 176.870 0.062 0.000 1.077 663 L CA 0.211 55.083 54.840 0.053 0.000 0.879 663 L CB 0.209 42.316 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.161 123.029 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 664 A C -0.803 176.734 177.584 -0.079 0.000 1.056 664 A CA -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.556 20.727 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.262 115.682 115.700 -0.466 0.000 2.588 665 S HA 0.968 5.438 4.470 -0.000 0.000 0.275 665 S C -0.160 173.466 174.600 -1.624 0.000 1.130 665 S CA -0.014 57.548 58.200 -1.064 0.000 0.855 665 S CB 1.611 64.480 63.200 -0.552 0.000 1.116 665 S HN 2.461 nan 8.310 nan 0.000 0.472 666 G N -0.156 107.250 108.800 -2.323 0.000 2.687 666 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 666 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 666 G C -2.020 172.346 174.900 -0.890 0.000 1.420 666 G CA -0.705 43.523 45.100 -1.452 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.163 118.888 120.200 -0.249 0.000 2.304 667 E HA 0.571 4.920 4.350 -0.000 0.000 0.277 667 E C -1.631 175.040 176.600 0.119 0.000 0.898 667 E CA -0.506 55.836 56.400 -0.096 0.000 0.764 667 E CB 2.903 32.482 29.700 -0.201 0.000 1.216 667 E HN 0.355 nan 8.360 nan 0.000 0.419 668 V N 4.769 124.800 119.914 0.194 0.000 2.777 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 668 V C -2.486 173.700 176.094 0.153 0.000 1.112 668 V CA -1.682 60.723 62.300 0.174 0.000 0.917 668 V CB 2.169 34.111 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.336 nan 4.420 nan 0.000 0.280 669 P C -0.837 176.521 177.300 0.097 0.000 1.244 669 P CA -0.186 62.976 63.100 0.103 0.000 0.784 669 P CB 1.046 32.800 31.700 0.091 0.000 0.913 670 L N 2.832 124.101 121.223 0.077 0.000 2.350 670 L HA 0.352 4.692 4.340 -0.000 0.000 0.275 670 L C 0.476 177.406 176.870 0.099 0.000 1.099 670 L CA 0.199 55.075 54.840 0.059 0.000 0.808 670 L CB 0.624 42.666 42.059 -0.029 0.000 1.149 670 L HN 0.361 nan 8.230 nan 0.000 0.442 671 D N 2.306 122.770 120.400 0.108 0.000 2.586 671 D HA 0.383 5.022 4.640 -0.000 0.000 0.254 671 D C -1.336 175.007 176.300 0.072 0.000 1.248 671 D CA -0.119 54.004 54.000 0.205 0.000 0.843 671 D CB 0.943 41.880 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.521 120.302 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 -0.000 0.000 0.307 672 V C 0.589 176.379 176.094 -0.506 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.457 33.296 31.823 0.027 0.000 0.999 672 V HN 0.454 nan 8.190 nan 0.000 0.426 673 A N 4.969 127.693 122.820 -0.159 0.000 2.322 673 A HA 0.812 5.132 4.320 -0.000 0.000 0.269 673 A C -2.403 175.177 177.584 -0.007 0.000 1.094 673 A CA -1.724 50.295 52.037 -0.030 0.000 0.807 673 A CB -0.039 19.033 19.000 0.121 0.000 1.047 673 A HN 0.725 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.429 176.864 177.300 -0.012 0.000 1.173 674 P CA 0.733 63.845 63.100 0.020 0.000 0.760 674 P CB 0.211 31.909 31.700 -0.003 0.000 0.783 675 Q N -1.223 118.556 119.800 -0.035 0.000 2.406 675 Q HA -0.184 4.155 4.340 -0.000 0.000 0.236 675 Q C 0.695 176.684 176.000 -0.018 0.000 0.799 675 Q CA 1.490 57.265 55.803 -0.047 0.000 1.286 675 Q CB -2.472 26.230 28.738 -0.060 0.000 1.615 675 Q HN 0.757 nan 8.270 nan 0.000 0.621 676 G N 0.231 109.032 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 -0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 -0.000 0.000 0.318 676 G C -0.513 174.403 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.407 120.014 120.400 0.035 0.000 2.267 677 K HA 0.468 4.788 4.320 -0.000 0.000 0.246 677 K C -0.867 175.766 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.371 34.891 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.170 123.010 119.800 0.068 0.000 2.305 678 Q HA 0.353 4.693 4.340 -0.000 0.000 0.271 678 Q C -1.597 174.447 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.208 55.803 0.072 0.000 0.798 678 Q CB 1.353 30.141 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.056 126.313 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 679 L C -0.337 176.555 176.870 0.036 0.000 1.049 679 L CA -0.761 54.104 54.840 0.041 0.000 0.804 679 L CB 1.185 43.258 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.813 123.396 120.570 0.022 0.000 2.439 680 I HA 0.249 4.418 4.170 -0.000 0.000 0.285 680 I C -0.252 175.832 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.105 40.122 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.510 126.679 120.200 -0.051 0.000 2.223 681 E HA 0.411 4.761 4.350 -0.000 0.000 0.282 681 E C -0.664 175.859 176.600 -0.128 0.000 1.046 681 E CA -0.315 56.038 56.400 -0.078 0.000 0.857 681 E CB 1.427 31.101 29.700 -0.043 0.000 1.055 681 E HN 0.474 nan 8.360 nan 0.000 0.409 682 L N 6.006 127.119 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 -0.000 0.000 0.279 682 L C -1.918 174.845 176.870 -0.180 0.000 1.054 682 L CA -1.946 52.731 54.840 -0.271 0.000 0.804 682 L CB 1.335 43.151 42.059 -0.405 0.000 1.200 682 L HN 0.239 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.477 176.773 177.300 -0.083 0.000 1.223 683 P CA -0.433 62.625 63.100 -0.071 0.000 0.784 683 P CB 0.509 32.214 31.700 0.008 0.000 0.923 684 E N 1.432 121.607 120.200 -0.043 0.000 2.652 684 E HA -0.043 4.307 4.350 -0.000 0.000 0.255 684 E C -0.157 176.427 176.600 -0.027 0.000 0.952 684 E CA 0.619 56.996 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.799 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.297 127.493 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 685 L C -1.909 174.963 176.870 0.002 0.000 1.080 685 L CA -2.135 52.691 54.840 -0.023 0.000 0.803 685 L CB 0.678 42.704 42.059 -0.055 0.000 1.174 685 L HN 0.323 nan 8.230 nan 0.000 0.443 686 P HA 0.045 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.426 177.300 0.022 0.000 1.204 686 P CA -0.219 62.901 63.100 0.034 0.000 0.768 686 P CB 0.611 32.345 31.700 0.057 0.000 0.842 687 Q N 2.487 122.297 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 -0.000 0.000 0.400 687 Q C -2.033 173.976 176.000 0.015 0.000 0.959 687 Q CA -1.707 54.102 55.803 0.010 0.000 1.079 687 Q CB -0.441 28.298 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.102 177.415 177.300 0.022 0.000 1.171 688 P CA 0.413 63.529 63.100 0.027 0.000 0.761 688 P CB 1.163 32.885 31.700 0.037 0.000 0.786 689 E N 0.540 120.753 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.480 56.892 56.400 0.019 0.000 0.832 689 E CB -0.444 29.266 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.286 117.003 115.700 0.028 0.000 2.537 690 S HA 0.156 4.626 4.470 -0.000 0.000 0.280 690 S C 0.404 175.027 174.600 0.039 0.000 1.335 690 S CA 0.162 58.382 58.200 0.034 0.000 1.025 690 S CB 0.518 63.740 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 1.000 123.846 122.820 0.044 0.000 2.302 691 A HA 0.819 5.139 4.320 -0.000 0.000 0.285 691 A C 0.810 178.433 177.584 0.065 0.000 1.105 691 A CA 0.176 52.242 52.037 0.049 0.000 0.816 691 A CB 0.227 19.256 19.000 0.049 0.000 1.067 691 A HN 1.773 nan 8.150 nan 0.000 0.489 692 G N -0.038 108.803 108.800 0.068 0.000 2.357 692 G HA2 0.324 4.284 3.960 -0.000 0.000 0.289 692 G HA3 0.324 4.284 3.960 -0.000 0.000 0.289 692 G C -1.381 173.568 174.900 0.083 0.000 1.302 692 G CA -0.880 44.279 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.575 119.310 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 -0.000 0.000 0.261 693 Q C -0.920 175.178 176.000 0.165 0.000 0.960 693 Q CA -0.762 55.091 55.803 0.084 0.000 0.882 693 Q CB 2.404 31.243 28.738 0.169 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.626 124.821 121.223 -0.046 0.000 2.272 694 L HA 0.484 4.823 4.340 -0.000 0.000 0.289 694 L C -1.791 175.029 176.870 -0.084 0.000 1.032 694 L CA 0.015 54.876 54.840 0.036 0.000 0.810 694 L CB 0.450 42.505 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.425 126.795 121.300 0.117 0.000 2.819 695 W HA 0.567 5.227 4.660 -0.000 0.000 0.337 695 W C -1.053 175.576 176.519 0.184 0.000 1.077 695 W CA -0.704 56.735 57.345 0.155 0.000 1.226 695 W CB 1.700 31.280 29.460 0.199 0.000 1.419 695 W HN 0.278 nan 8.180 nan 0.000 0.502 696 L N 3.046 124.570 121.223 0.501 0.000 2.295 696 L HA 0.818 5.157 4.340 -0.000 0.000 0.285 696 L C -0.365 176.820 176.870 0.525 0.000 1.035 696 L CA 0.145 55.254 54.840 0.449 0.000 0.806 696 L CB 1.312 43.575 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.790 119.596 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 -0.000 0.000 0.292 697 T C -0.878 174.008 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 62.100 0.328 0.000 0.982 697 T CB 1.642 70.636 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.256 121.306 119.914 0.227 0.000 2.680 698 V HA 0.864 4.983 4.120 -0.000 0.000 0.309 698 V C -0.773 175.387 176.094 0.109 0.000 1.052 698 V CA -1.119 61.277 62.300 0.160 0.000 0.908 698 V CB 1.903 33.745 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.200 122.786 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 -0.000 0.000 0.274 699 R C -1.716 174.663 176.300 0.131 0.000 0.987 699 R CA -0.835 55.360 56.100 0.158 0.000 0.908 699 R CB 2.759 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.870 122.885 119.914 0.170 0.000 2.384 700 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 700 V C -0.457 175.671 176.094 0.056 0.000 1.020 700 V CA -0.658 61.710 62.300 0.115 0.000 0.850 700 V CB 1.738 33.646 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.467 124.364 119.914 -0.029 0.000 2.680 701 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 701 V C -0.401 175.706 176.094 0.022 0.000 1.052 701 V CA -0.848 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.987 33.677 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.135 123.975 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.185 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.040 55.803 0.079 0.000 0.874 702 Q CB 1.899 30.712 28.738 0.125 0.000 1.207 702 Q HN 0.494 nan 8.270 nan 0.000 0.508 703 P HA -0.211 nan 4.420 nan 0.000 0.214 703 P C -0.514 176.789 177.300 0.005 0.000 1.163 703 P CA 1.394 64.507 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.034 0.000 0.790 704 N N -0.855 117.842 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 -0.000 0.000 0.289 704 N C -0.272 175.194 175.510 -0.072 0.000 1.133 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.678 39.151 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.411 123.178 122.820 -0.088 0.000 2.346 705 A HA 0.547 4.867 4.320 -0.000 0.000 0.252 705 A C 0.554 178.010 177.584 -0.213 0.000 1.089 705 A CA -0.142 51.801 52.037 -0.157 0.000 0.797 705 A CB 0.008 18.934 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.527 110.802 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 -0.000 0.000 0.278 706 T C 0.897 175.383 174.700 -0.356 0.000 1.011 706 T CA 0.056 61.900 62.100 -0.427 0.000 1.014 706 T CB 1.116 69.446 68.868 -0.898 0.000 1.293 706 T HN 1.365 nan 8.240 nan 0.000 0.554 707 A N -0.167 122.536 122.820 -0.195 0.000 2.121 707 A HA 0.138 4.458 4.320 -0.000 0.000 0.218 707 A C 1.485 179.167 177.584 0.163 0.000 1.154 707 A CA 0.886 52.960 52.037 0.062 0.000 0.679 707 A CB -0.827 18.317 19.000 0.239 0.000 0.795 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.971 120.376 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 -0.000 0.000 0.352 708 W C -0.186 176.293 176.519 -0.068 0.000 0.952 708 W CA 0.405 57.757 57.345 0.012 0.000 1.624 708 W CB -1.170 28.283 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.231 115.435 115.700 -0.826 0.000 2.556 709 S HA 0.449 4.919 4.470 -0.000 0.000 0.271 709 S C -0.560 173.773 174.600 -0.445 0.000 1.135 709 S CA -0.616 57.133 58.200 -0.751 0.000 0.858 709 S CB 2.814 65.175 63.200 -1.400 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.872 120.929 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 -0.000 0.000 0.257 710 E C 0.398 176.950 176.600 -0.079 0.000 1.150 710 E CA -0.560 55.773 56.400 -0.111 0.000 0.926 710 E CB 1.136 30.823 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.122 122.670 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 711 A C 1.006 178.598 177.584 0.012 0.000 1.082 711 A CA 0.555 52.578 52.037 -0.024 0.000 0.785 711 A CB -0.153 18.836 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.327 109.140 108.800 0.022 0.000 2.160 712 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G C 0.066 174.996 174.900 0.050 0.000 1.022 712 G CA 0.714 45.824 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.087 119.146 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 -0.000 0.000 0.349 713 H C 0.443 175.815 175.328 0.073 0.000 1.099 713 H CA -0.685 55.379 56.048 0.026 0.000 1.417 713 H CB 0.371 30.139 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.588 124.854 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 714 I C 1.073 177.037 176.117 -0.254 0.000 1.019 714 I CA -0.027 61.119 61.300 -0.256 0.000 1.302 714 I CB 0.775 38.700 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.799 119.567 115.700 0.113 0.000 2.526 715 S HA 0.664 5.133 4.470 -0.000 0.000 0.220 715 S C 0.489 175.344 174.600 0.424 0.000 1.017 715 S CA 0.117 58.514 58.200 0.329 0.000 0.930 715 S CB 0.634 64.139 63.200 0.507 0.000 0.856 715 S HN 0.753 nan 8.310 nan 0.000 0.497 716 A N 0.610 123.716 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 716 A C -1.731 176.216 177.584 0.606 0.000 1.062 716 A CA -0.902 51.406 52.037 0.452 0.000 0.682 716 A CB 0.439 19.755 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.008 121.463 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 -0.000 0.000 0.343 717 W C -1.184 175.375 176.519 0.067 0.000 1.243 717 W CA -0.643 56.757 57.345 0.091 0.000 1.186 717 W CB 1.202 30.659 29.460 -0.005 0.000 1.453 717 W HN 1.106 nan 8.180 nan 0.000 0.575 718 Q N 1.710 121.568 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 718 Q C -1.562 174.233 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.975 30.425 28.738 -0.479 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.611 122.184 119.800 -0.379 0.000 2.458 719 Q HA 0.758 5.098 4.340 -0.000 0.000 0.282 719 Q C -1.223 174.673 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.027 30.877 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.200 122.704 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 -0.000 0.000 0.330 720 W C -0.608 175.927 176.519 0.027 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.214 31.722 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.598 122.997 120.500 -0.167 0.000 2.202 721 R HA 0.291 4.631 4.340 -0.000 0.000 0.334 721 R C 0.763 176.839 176.300 -0.374 0.000 1.036 721 R CA -0.141 55.451 56.100 -0.846 0.000 0.878 721 R CB 0.612 30.042 30.300 -1.449 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.770 123.824 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 -0.000 0.000 0.203 722 L C 0.897 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.020 55.767 54.840 -0.156 0.000 0.749 722 L CB -0.163 41.847 42.059 -0.082 0.000 0.907 722 L HN 0.665 nan 8.230 nan 0.000 0.439 723 A N -0.808 121.896 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 723 A C -1.420 176.074 177.584 -0.149 0.000 1.136 723 A CA -0.438 51.514 52.037 -0.142 0.000 0.681 723 A CB 1.855 20.806 19.000 -0.081 0.000 1.282 723 A HN 0.056 nan 8.150 nan 0.000 0.421 724 E N 0.410 120.553 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 724 E C -1.676 174.909 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.721 56.400 -0.064 0.000 0.758 724 E CB 1.272 30.932 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.598 123.296 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 -0.000 0.000 0.248 725 N C -0.657 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.043 39.541 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.674 121.908 121.223 0.018 0.000 2.456 726 L HA 0.131 4.470 4.340 -0.000 0.000 0.272 726 L C 1.199 178.089 176.870 0.033 0.000 1.189 726 L CA 0.113 54.970 54.840 0.028 0.000 0.846 726 L CB 0.542 42.616 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.398 117.123 115.700 0.042 0.000 2.465 727 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 727 S C 0.557 175.180 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.810 64.041 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.574 122.507 119.914 0.032 0.000 3.376 728 V HA 0.300 4.419 4.120 -0.000 0.000 0.313 728 V C 0.869 176.979 176.094 0.028 0.000 1.393 728 V CA -0.016 62.301 62.300 0.028 0.000 1.125 728 V CB -1.061 30.776 31.823 0.023 0.000 1.037 728 V HN 0.837 nan 8.190 nan 0.000 0.440 729 T N 0.109 114.682 114.554 0.031 0.000 2.902 729 T HA 0.756 5.105 4.350 -0.000 0.000 0.280 729 T C -0.515 174.202 174.700 0.029 0.000 0.992 729 T CA -0.496 61.621 62.100 0.029 0.000 1.015 729 T CB 1.907 70.792 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.810 123.048 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 730 L C -1.970 174.912 176.870 0.019 0.000 1.013 730 L CA -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.533 42.602 42.059 0.017 0.000 1.278 730 L HN 0.594 nan 8.230 nan 0.000 0.431 731 P HA 0.336 nan 4.420 nan 0.000 0.271 731 P C -0.718 176.581 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.966 32.672 31.700 0.011 0.000 0.864 732 A N 2.648 125.465 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 732 A C 0.573 178.124 177.584 -0.055 0.000 1.087 732 A CA -0.194 51.831 52.037 -0.019 0.000 0.802 732 A CB -0.156 18.839 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.180 123.959 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.806 4.320 -0.000 0.000 0.235 733 A C 0.788 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.475 52.441 52.037 -0.119 0.000 0.764 733 A CB -0.423 18.531 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.720 116.260 115.700 -0.266 0.000 2.608 734 S HA 0.493 4.963 4.470 -0.000 0.000 0.291 734 S C 0.233 174.594 174.600 -0.398 0.000 1.146 734 S CA -0.726 57.267 58.200 -0.344 0.000 1.043 734 S CB 0.830 63.949 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.202 119.283 119.070 0.017 0.000 2.539 735 H HA 0.557 5.112 4.556 -0.000 0.000 0.269 735 H C 0.586 175.921 175.328 0.013 0.000 0.980 735 H CA 0.554 56.610 56.048 0.013 0.000 1.152 735 H CB -0.092 29.676 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.952 123.804 122.820 0.054 0.000 2.599 736 A HA 0.618 4.938 4.320 -0.000 0.000 0.290 736 A C -1.063 176.538 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.471 20.512 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.551 119.040 120.570 0.036 0.000 2.865 737 I HA 0.790 4.959 4.170 -0.000 0.000 0.302 737 I C -2.875 173.279 176.117 0.062 0.000 1.140 737 I CA -2.581 58.738 61.300 0.032 0.000 1.021 737 I CB 2.403 40.411 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.014 nan 4.420 nan 0.000 0.269 738 P C -1.327 176.061 177.300 0.147 0.000 1.211 738 P CA 0.382 63.540 63.100 0.096 0.000 0.781 738 P CB 0.191 31.905 31.700 0.023 0.000 0.877 739 H N 1.898 120.998 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 -0.000 0.000 0.325 739 H C -1.014 174.341 175.328 0.045 0.000 1.012 739 H CA -1.109 54.960 56.048 0.036 0.000 1.213 739 H CB 0.954 30.738 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.070 126.169 121.223 -0.206 0.000 2.326 740 L HA 0.316 4.655 4.340 -0.000 0.000 0.278 740 L C -0.736 175.926 176.870 -0.345 0.000 1.092 740 L CA 0.276 54.971 54.840 -0.242 0.000 0.810 740 L CB 1.389 43.372 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.024 117.466 114.554 -0.187 0.000 2.921 741 T HA 0.427 4.777 4.350 -0.000 0.000 0.297 741 T C -0.634 174.114 174.700 0.081 0.000 1.013 741 T CA -0.459 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.388 70.185 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.594 117.215 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 -0.000 0.000 0.307 742 T C 0.606 175.368 174.700 0.104 0.000 1.034 742 T CA -0.478 61.747 62.100 0.208 0.000 0.953 742 T CB 1.029 70.048 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.161 117.896 115.700 0.059 0.000 2.598 743 S HA 0.251 4.721 4.470 -0.000 0.000 0.267 743 S C 1.292 175.870 174.600 -0.036 0.000 1.189 743 S CA -0.333 57.871 58.200 0.006 0.000 1.010 743 S CB 0.994 64.192 63.200 -0.004 0.000 1.084 743 S HN 0.779 nan 8.310 nan 0.000 0.541 744 E N -0.988 119.184 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 744 E C 1.399 177.931 176.600 -0.114 0.000 0.990 744 E CA 0.123 56.483 56.400 -0.067 0.000 0.886 744 E CB -0.015 29.663 29.700 -0.037 0.000 0.866 744 E HN 0.578 nan 8.360 nan 0.000 0.493 745 M N 1.252 120.791 119.600 -0.101 0.000 2.501 745 M HA 0.160 4.640 4.480 -0.000 0.000 0.261 745 M C -0.315 175.895 176.300 -0.150 0.000 1.129 745 M CA 0.790 56.032 55.300 -0.097 0.000 1.126 745 M CB -0.257 32.318 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.096 118.182 120.400 -0.204 0.000 2.879 746 D HA 0.389 5.029 4.640 -0.000 0.000 0.346 746 D C -0.975 175.177 176.300 -0.246 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.636 41.419 40.800 -0.029 0.000 1.416 746 D HN -0.039 nan 8.370 nan 0.000 0.493 750 E N 4.342 124.686 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 -0.000 0.000 0.266 750 E C -1.680 175.092 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.923 32.702 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.798 125.179 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 -0.000 0.000 0.246 751 L C -0.148 176.803 176.870 0.136 0.000 0.960 751 L CA 0.720 55.696 54.840 0.226 0.000 1.056 751 L CB 0.800 43.045 42.059 0.310 0.000 1.437 751 L HN 0.758 nan 8.230 nan 0.000 0.514 752 G N 3.803 112.653 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.474 45.596 45.100 0.038 0.000 0.962 752 G HN 1.059 nan 8.290 nan 0.000 0.560 753 N N 1.009 119.694 118.700 -0.025 0.000 2.396 753 N HA 0.005 4.745 4.740 -0.000 0.000 0.180 753 N C 0.833 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.449 54.465 53.050 -0.057 0.000 0.893 753 N CB -0.156 38.300 38.487 -0.052 0.000 0.967 753 N HN 0.778 nan 8.380 nan 0.000 0.440 754 K N 0.385 120.705 120.400 -0.135 0.000 2.270 754 K HA 0.316 4.636 4.320 -0.000 0.000 0.276 754 K C -0.136 176.247 176.600 -0.362 0.000 1.023 754 K CA -0.076 56.005 56.287 -0.343 0.000 0.955 754 K CB 1.002 33.233 32.500 -0.448 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.667 121.829 120.500 -0.563 0.000 2.604 755 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 755 R C -1.699 174.470 176.300 -0.218 0.000 1.052 755 R CA -0.647 55.331 56.100 -0.203 0.000 0.902 755 R CB 1.348 31.596 30.300 -0.088 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.037 124.443 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 -0.000 0.000 0.335 756 W C -0.745 175.853 176.519 0.132 0.000 1.083 756 W CA -0.555 56.851 57.345 0.101 0.000 1.233 756 W CB 2.258 31.748 29.460 0.051 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.650 122.584 119.800 0.224 0.000 2.337 757 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 757 Q C -2.021 173.905 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.187 0.000 0.794 757 Q CB 1.807 30.722 28.738 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.781 122.824 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 758 F C 0.623 176.443 175.800 0.034 0.000 1.124 758 F CA -0.814 57.244 58.000 0.096 0.000 1.008 758 F CB 1.381 40.457 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.479 122.278 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 759 N C 0.885 176.396 175.510 0.001 0.000 1.171 759 N CA 0.049 53.141 53.050 0.069 0.000 0.948 759 N CB 0.793 39.331 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.365 121.787 120.500 -0.130 0.000 2.236 760 R HA -0.030 4.310 4.340 -0.000 0.000 0.208 760 R C 1.458 177.682 176.300 -0.127 0.000 1.036 760 R CA 0.965 56.930 56.100 -0.225 0.000 1.001 760 R CB 0.241 30.292 30.300 -0.416 0.000 0.896 760 R HN 0.699 nan 8.270 nan 0.000 0.464 761 Q N -0.479 119.281 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 -0.000 0.000 0.210 761 Q C 1.741 177.725 176.000 -0.028 0.000 0.913 761 Q CA 1.213 56.987 55.803 -0.047 0.000 0.911 761 Q CB 0.240 28.965 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.299 116.008 115.700 0.015 0.000 2.439 762 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.141 0.000 1.029 762 S CA 0.792 59.031 58.200 0.064 0.000 0.946 762 S CB -0.079 63.283 63.200 0.271 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.431 109.163 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G C -0.106 174.653 174.900 -0.236 0.000 0.991 763 G CA 0.365 45.363 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.363 118.772 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 -0.000 0.000 0.330 764 F C 0.464 176.338 175.800 0.123 0.000 1.056 764 F CA -1.469 56.690 58.000 0.265 0.000 0.964 764 F CB 1.382 40.482 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.551 122.902 121.223 0.212 0.000 2.456 765 L HA 0.211 4.551 4.340 -0.000 0.000 0.277 765 L C 0.557 177.346 176.870 -0.136 0.000 1.124 765 L CA 0.786 55.365 54.840 -0.434 0.000 0.880 765 L CB 0.248 42.066 42.059 -0.402 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.658 118.264 115.700 -0.158 0.000 2.456 766 S HA 0.145 4.615 4.470 -0.000 0.000 0.224 766 S C 0.341 174.847 174.600 -0.156 0.000 1.035 766 S CA 0.327 58.486 58.200 -0.068 0.000 0.940 766 S CB 0.041 63.241 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.148 119.506 119.800 -0.242 0.000 2.633 767 Q HA 0.626 4.966 4.340 -0.000 0.000 0.289 767 Q C -1.655 174.038 176.000 -0.512 0.000 0.940 767 Q CA -0.607 54.931 55.803 -0.441 0.000 0.785 767 Q CB 1.350 29.712 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.321 119.477 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 -0.000 0.000 0.284 768 M C -1.963 173.919 176.300 -0.697 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 1.999 34.286 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.273 124.347 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 769 W C -1.524 174.788 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.278 57.345 -0.283 0.000 1.212 769 W CB 2.002 31.331 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.139 122.715 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 770 I C 0.828 176.944 176.117 -0.002 0.000 1.008 770 I CA 0.250 61.508 61.300 -0.071 0.000 1.104 770 I CB 1.270 39.200 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.595 114.381 108.800 -0.022 0.000 2.583 771 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.292 771 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.292 771 G C 0.323 175.244 174.900 0.036 0.000 1.203 771 G CA 0.517 45.611 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.746 121.180 120.400 0.058 0.000 2.402 772 D HA 0.230 4.870 4.640 -0.000 0.000 0.216 772 D C 0.586 177.025 176.300 0.233 0.000 1.128 772 D CA 0.134 54.202 54.000 0.114 0.000 0.833 772 D CB 0.376 41.198 40.800 0.037 0.000 0.971 772 D HN 0.440 nan 8.370 nan 0.000 0.503 773 K N 0.995 121.502 120.400 0.178 0.000 2.211 773 K HA 0.295 4.615 4.320 -0.000 0.000 0.275 773 K C -0.069 176.504 176.600 -0.045 0.000 1.024 773 K CA -0.504 55.827 56.287 0.073 0.000 0.887 773 K CB 1.849 34.348 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.811 122.089 120.400 -0.202 0.000 2.258 774 K HA 0.048 4.368 4.320 -0.000 0.000 0.264 774 K C 0.758 177.149 176.600 -0.348 0.000 1.007 774 K CA -0.157 55.792 56.287 -0.563 0.000 0.941 774 K CB 0.726 32.944 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.984 120.552 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 -0.000 0.000 0.235 775 Q C -0.137 175.779 176.000 -0.140 0.000 0.863 775 Q CA 0.414 56.112 55.803 -0.174 0.000 0.939 775 Q CB 0.590 29.280 28.738 -0.080 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.751 121.839 121.223 -0.224 0.000 2.362 776 L HA 0.426 4.765 4.340 -0.000 0.000 0.271 776 L C 0.840 177.585 176.870 -0.208 0.000 1.002 776 L CA -0.462 54.268 54.840 -0.183 0.000 0.818 776 L CB 1.679 43.636 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.543 120.548 121.223 -0.220 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.429 177.186 176.870 -0.188 0.000 1.096 777 L CA 0.562 55.277 54.840 -0.208 0.000 0.857 777 L CB 0.052 41.974 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.603 115.031 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.777 4.350 -0.000 0.000 0.299 778 T C -2.656 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.167 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.630 71.396 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.228 nan 4.420 nan 0.000 0.272 779 P C -0.669 176.606 177.300 -0.043 0.000 1.223 779 P CA -0.733 62.348 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.152 31.700 0.013 0.000 0.923 780 L N 3.934 125.169 121.223 0.020 0.000 2.361 780 L HA 0.290 4.630 4.340 -0.000 0.000 0.278 780 L C 0.579 177.392 176.870 -0.096 0.000 1.113 780 L CA 0.587 55.460 54.840 0.055 0.000 0.849 780 L CB -0.542 41.660 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.098 122.486 120.500 -0.187 0.000 2.734 781 R HA 0.488 4.827 4.340 -0.000 0.000 0.271 781 R C -1.214 174.964 176.300 -0.203 0.000 1.021 781 R CA -0.970 54.901 56.100 -0.381 0.000 0.893 781 R CB 0.410 30.132 30.300 -0.963 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.984 121.309 120.400 -0.126 0.000 2.423 782 D HA 0.094 4.734 4.640 -0.000 0.000 0.238 782 D C -0.443 175.494 176.300 -0.604 0.000 1.142 782 D CA 0.453 54.239 54.000 -0.357 0.000 0.884 782 D CB 0.636 41.190 40.800 -0.411 0.000 1.199 782 D HN 0.353 nan 8.370 nan 0.000 0.438 783 Q N 1.131 120.353 119.800 -0.964 0.000 2.271 783 Q HA 0.320 4.660 4.340 -0.000 0.000 0.268 783 Q C -1.225 174.046 176.000 -1.215 0.000 1.021 783 Q CA -0.580 54.706 55.803 -0.862 0.000 0.802 783 Q CB 0.794 29.252 28.738 -0.466 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.737 120.345 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 -0.000 0.000 0.313 784 F C 0.773 176.189 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.426 39.759 39.000 -1.112 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.982 113.313 114.554 -0.432 0.000 2.858 785 T HA 0.764 5.114 4.350 -0.000 0.000 0.285 785 T C -0.586 173.888 174.700 -0.377 0.000 1.052 785 T CA -0.982 60.787 62.100 -0.551 0.000 1.009 785 T CB 2.757 71.255 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.413 119.901 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 786 R C -1.093 175.272 176.300 0.109 0.000 1.000 786 R CA -1.176 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.503 31.756 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.256 126.122 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 787 A C -2.060 175.599 177.584 0.125 0.000 1.195 787 A CA -1.460 50.624 52.037 0.079 0.000 0.858 787 A CB -0.455 18.545 19.000 0.000 0.000 1.117 787 A HN 0.519 nan 8.150 nan 0.000 0.521 788 P HA 0.017 nan 4.420 nan 0.000 0.263 788 P C -0.276 177.142 177.300 0.198 0.000 1.168 788 P CA 0.587 63.847 63.100 0.267 0.000 0.759 788 P CB 0.294 32.172 31.700 0.297 0.000 0.782 789 L N 2.398 123.709 121.223 0.147 0.000 2.416 789 L HA 0.226 4.566 4.340 -0.000 0.000 0.262 789 L C 1.755 178.649 176.870 0.040 0.000 1.093 789 L CA -0.623 54.243 54.840 0.044 0.000 0.801 789 L CB 0.252 42.272 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.583 120.955 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 790 D C 1.587 177.870 176.300 -0.028 0.000 0.998 790 D CA 1.583 55.519 54.000 -0.107 0.000 0.836 790 D CB 0.059 40.754 40.800 -0.176 0.000 0.951 790 D HN 0.503 nan 8.370 nan 0.000 0.449 791 N N 1.186 119.869 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 791 N C 1.230 176.771 175.510 0.051 0.000 1.019 791 N CA 0.869 53.920 53.050 0.002 0.000 0.857 791 N CB -0.330 38.136 38.487 -0.035 0.000 0.997 791 N HN 0.286 nan 8.380 nan 0.000 0.426 792 D N 0.306 120.752 120.400 0.077 0.000 2.224 792 D HA 0.007 4.647 4.640 -0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.379 54.464 54.000 0.141 0.000 0.852 792 D CB 0.023 40.980 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.472 121.092 120.570 0.082 0.000 2.400 793 I HA -0.007 4.163 4.170 -0.000 0.000 0.248 793 I C 1.108 177.238 176.117 0.021 0.000 1.109 793 I CA 0.451 61.781 61.300 0.050 0.000 1.425 793 I CB -0.277 37.733 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.831 111.653 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G C -0.146 174.790 174.900 0.059 0.000 0.852 794 G CA 0.580 45.718 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.043 118.902 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 795 V C 0.629 176.613 176.094 -0.183 0.000 1.090 795 V CA 0.194 62.463 62.300 -0.051 0.000 0.930 795 V CB 1.743 33.508 31.823 -0.097 0.000 1.014 795 V HN 1.097 nan 8.190 nan 0.000 0.425 796 S N 1.371 116.781 115.700 -0.483 0.000 2.506 796 S HA 0.363 4.833 4.470 -0.000 0.000 0.219 796 S C 0.281 174.190 174.600 -1.152 0.000 1.031 796 S CA -0.115 57.303 58.200 -1.303 0.000 0.911 796 S CB -0.080 62.254 63.200 -1.445 0.000 0.812 796 S HN 0.858 nan 8.310 nan 0.000 0.497 797 E N 0.783 120.610 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 -0.000 0.000 0.263 797 E C 0.355 176.789 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.439 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.818 125.514 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 798 A C 2.003 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.611 54.580 52.037 -0.114 0.000 0.649 798 A CB -0.801 18.162 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.163 114.320 114.554 -0.118 0.000 2.708 799 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 799 T C 0.962 175.603 174.700 -0.097 0.000 1.037 799 T CA 1.272 63.312 62.100 -0.100 0.000 1.146 799 T CB -0.192 68.603 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.954 122.378 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 -0.000 0.000 0.334 800 R C -0.664 175.575 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.511 30.728 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.285 119.240 120.570 -0.075 0.000 2.385 801 I HA 0.348 4.518 4.170 -0.000 0.000 0.294 801 I C -0.478 175.601 176.117 -0.063 0.000 0.988 801 I CA -0.454 60.809 61.300 -0.062 0.000 1.265 801 I CB 1.462 39.436 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.685 128.046 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 -0.000 0.000 0.226 802 D C -1.820 174.421 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.541 54.000 -0.078 0.000 0.849 802 D CB 1.711 42.466 40.800 -0.075 0.000 1.052 802 D HN 0.373 nan 8.370 nan 0.000 0.515 803 P HA -0.103 nan 4.420 nan 0.000 0.223 803 P C 0.569 177.769 177.300 -0.166 0.000 1.144 803 P CA 0.732 63.767 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.056 31.700 -0.089 0.000 0.771 804 N N -0.510 118.076 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.825 4.740 -0.000 0.000 0.185 804 N C 0.755 176.028 175.510 -0.395 0.000 1.098 804 N CA 0.088 52.965 53.050 -0.287 0.000 0.872 804 N CB -0.056 38.284 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.072 122.724 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 805 A C 0.833 178.170 177.584 -0.412 0.000 1.068 805 A CA -0.328 51.544 52.037 -0.276 0.000 0.766 805 A CB 0.027 18.952 19.000 -0.125 0.000 1.003 805 A HN 0.330 nan 8.150 nan 0.000 0.497 806 W N 1.772 122.790 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 -0.000 0.000 0.320 806 W C 2.254 178.173 176.519 -1.001 0.000 1.241 806 W CA 1.925 58.688 57.345 -0.972 0.000 1.264 806 W CB -0.459 28.298 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.627 120.427 119.914 -0.190 0.000 2.332 807 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.210 64.623 62.300 0.188 0.000 1.038 807 V CB -0.466 31.506 31.823 0.249 0.000 0.651 807 V HN 0.073 nan 8.190 nan 0.000 0.450 808 E N 0.186 120.368 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.441 57.818 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.273 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.445 119.938 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 809 R C 2.315 178.560 176.300 -0.091 0.000 1.126 809 R CA 1.115 57.084 56.100 -0.217 0.000 0.963 809 R CB -0.434 29.612 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.981 123.238 121.300 -0.073 0.000 2.358 810 W HA -0.032 4.628 4.660 -0.000 0.000 0.303 810 W C 2.062 178.547 176.519 -0.057 0.000 1.208 810 W CA 0.386 57.594 57.345 -0.228 0.000 1.274 810 W CB -0.575 28.869 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N -0.000 120.630 120.400 0.383 0.000 1.985 811 K HA -0.118 4.201 4.320 -0.000 0.000 0.210 811 K C 2.200 178.886 176.600 0.144 0.000 1.047 811 K CA 1.738 58.218 56.287 0.322 0.000 0.932 811 K CB -0.649 31.983 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.198 124.067 122.820 0.082 0.000 2.024 812 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 812 A C 2.186 179.780 177.584 0.018 0.000 1.164 812 A CA 1.929 53.991 52.037 0.043 0.000 0.643 812 A CB -0.491 18.515 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.126 120.687 122.820 -0.011 0.000 2.123 813 A HA 0.396 4.715 4.320 -0.000 0.000 0.214 813 A C 1.890 179.407 177.584 -0.112 0.000 1.152 813 A CA 1.304 53.335 52.037 -0.011 0.000 0.728 813 A CB -0.717 18.260 19.000 -0.039 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.819 106.859 108.800 -0.203 0.000 2.141 814 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.231 814 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.231 814 G C 0.610 175.479 174.900 -0.053 0.000 0.984 814 G CA 0.611 45.386 45.100 -0.542 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.304 117.719 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 815 H C 2.177 177.457 175.328 -0.079 0.000 1.099 815 H CA 1.649 57.652 56.048 -0.074 0.000 1.315 815 H CB 0.092 29.733 29.762 -0.200 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.737 121.155 120.300 0.196 0.000 2.509 816 Y HA -0.102 4.447 4.550 -0.000 0.000 0.293 816 Y C 1.798 177.777 175.900 0.133 0.000 1.133 816 Y CA 0.668 58.848 58.100 0.133 0.000 1.283 816 Y CB 0.414 38.942 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.649 119.310 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 -0.000 0.000 0.273 817 Q C -0.291 175.888 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.580 55.803 0.259 0.000 1.118 817 Q CB 0.415 29.299 28.738 0.242 0.000 1.240 817 Q HN 0.126 nan 8.270 nan 0.000 0.445 818 A N 1.154 124.160 122.820 0.309 0.000 2.351 818 A HA 0.376 4.695 4.320 -0.000 0.000 0.257 818 A C -0.094 177.753 177.584 0.439 0.000 1.087 818 A CA -0.217 52.050 52.037 0.383 0.000 0.798 818 A CB 0.538 19.762 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.702 121.098 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 -0.000 0.000 0.279 819 E C -0.093 176.487 176.600 -0.033 0.000 0.965 819 E CA -0.231 56.277 56.400 0.180 0.000 0.789 819 E CB 1.770 31.542 29.700 0.120 0.000 1.098 819 E HN 0.725 nan 8.360 nan 0.000 0.397 820 A N 2.340 125.006 122.820 -0.256 0.000 2.371 820 A HA 0.604 4.924 4.320 -0.000 0.000 0.257 820 A C -0.256 177.154 177.584 -0.291 0.000 1.089 820 A CA -0.121 51.462 52.037 -0.757 0.000 0.794 820 A CB 0.572 19.065 19.000 -0.846 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.885 124.537 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 821 A C -0.788 176.708 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.410 52.037 -0.128 0.000 0.722 821 A CB 0.757 19.708 19.000 -0.080 0.000 1.206 821 A HN 1.170 nan 8.150 nan 0.000 0.435 822 L N 3.377 124.495 121.223 -0.174 0.000 2.418 822 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 822 L C 0.568 177.302 176.870 -0.227 0.000 1.135 822 L CA 0.027 54.658 54.840 -0.348 0.000 0.870 822 L CB 0.092 41.961 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.653 124.733 121.223 -0.237 0.000 2.357 823 L HA 0.225 4.565 4.340 -0.000 0.000 0.211 823 L C 0.472 177.275 176.870 -0.112 0.000 1.075 823 L CA 0.186 54.954 54.840 -0.120 0.000 0.830 823 L CB 0.084 42.107 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.657 119.044 119.800 -0.166 0.000 2.617 824 Q HA 0.296 4.635 4.340 -0.000 0.000 0.270 824 Q C -1.934 173.999 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.978 55.803 -0.104 0.000 0.887 824 Q CB 2.282 30.991 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.766 122.041 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 -0.000 0.000 0.369 825 C C -1.098 173.957 174.990 0.108 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.846 28.596 27.740 0.017 0.000 1.764 825 C HN 0.906 nan 8.230 nan 0.000 0.469 826 T N 2.791 117.374 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 -0.000 0.000 0.301 826 T C -0.593 173.954 174.700 -0.256 0.000 1.158 826 T CA -0.061 62.023 62.100 -0.026 0.000 1.007 826 T CB 1.806 70.651 68.868 -0.037 0.000 1.186 826 T HN 1.988 nan 8.240 nan 0.000 0.499 827 A N 1.660 124.205 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 827 A C -1.237 176.125 177.584 -0.370 0.000 1.075 827 A CA -0.645 51.012 52.037 -0.633 0.000 0.746 827 A CB 1.452 19.655 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.291 120.520 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 -0.000 0.000 0.223 828 D C -1.311 174.903 176.300 -0.143 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.437 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.512 116.007 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 829 T C 0.121 174.792 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.474 62.100 -0.069 0.000 0.965 829 T CB 1.092 69.935 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.674 122.869 121.223 -0.047 0.000 2.376 830 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 830 L C 1.807 178.663 176.870 -0.024 0.000 1.035 830 L CA -0.501 54.318 54.840 -0.034 0.000 0.800 830 L CB 0.111 42.148 42.059 -0.036 0.000 1.290 830 L HN 0.722 nan 8.230 nan 0.000 0.462 831 A N -0.170 122.639 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 831 A C 0.949 178.525 177.584 -0.012 0.000 1.175 831 A CA 2.036 54.066 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.287 19.000 -0.009 0.000 0.814 831 A HN 0.863 nan 8.150 nan 0.000 0.444 832 D N -2.474 117.916 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.203 4.640 -0.000 0.000 0.217 832 D C 0.236 176.520 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.648 54.000 -0.019 0.000 0.828 832 D CB 0.501 41.290 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.411 122.389 122.820 -0.033 0.000 2.511 833 A HA 0.619 4.939 4.320 -0.000 0.000 0.293 833 A C -1.749 175.796 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.219 52.037 -0.051 0.000 0.643 833 A CB 0.764 19.731 19.000 -0.054 0.000 1.302 833 A HN -0.015 nan 8.150 nan 0.000 0.446 834 V N 0.310 120.165 119.914 -0.097 0.000 2.547 834 V HA 0.690 4.810 4.120 -0.000 0.000 0.299 834 V C -0.874 175.135 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.357 33.090 31.823 -0.150 0.000 0.992 834 V HN 0.825 nan 8.190 nan 0.000 0.449 835 L N 5.778 126.907 121.223 -0.156 0.000 2.376 835 L HA 0.656 4.995 4.340 -0.000 0.000 0.275 835 L C -0.913 175.836 176.870 -0.201 0.000 0.987 835 L CA -0.069 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.416 43.417 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.685 124.148 120.570 -0.179 0.000 2.441 836 I HA 0.531 4.700 4.170 -0.000 0.000 0.295 836 I C -0.046 176.060 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.723 39.365 38.000 -0.597 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.523 119.053 114.554 -0.041 0.000 2.879 837 T HA 0.631 4.981 4.350 -0.000 0.000 0.290 837 T C -0.002 174.738 174.700 0.067 0.000 0.993 837 T CA -0.532 61.593 62.100 0.042 0.000 0.975 837 T CB 1.756 70.623 68.868 -0.002 0.000 0.981 837 T HN 0.805 nan 8.240 nan 0.000 0.439 838 T N -0.219 114.418 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 -0.000 0.000 0.293 838 T C -1.137 173.631 174.700 0.112 0.000 1.084 838 T CA -1.110 61.055 62.100 0.109 0.000 1.008 838 T CB 2.099 71.118 68.868 0.251 0.000 1.170 838 T HN 0.789 nan 8.240 nan 0.000 0.509 839 A N 1.431 124.241 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.032 4.320 -0.000 0.000 0.292 839 A C -1.492 176.029 177.584 -0.105 0.000 1.041 839 A CA -0.790 51.286 52.037 0.065 0.000 0.718 839 A CB 0.723 19.748 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.259 119.393 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 -0.000 0.000 0.372 840 H C 0.029 175.411 175.328 0.090 0.000 1.168 840 H CA 0.157 56.191 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.728 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.333 124.199 122.820 0.076 0.000 2.371 841 A HA 0.469 4.788 4.320 -0.000 0.000 0.311 841 A C -1.414 176.239 177.584 0.115 0.000 1.068 841 A CA -0.722 51.437 52.037 0.203 0.000 0.744 841 A CB 1.210 20.282 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.219 123.610 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 -0.000 0.000 0.314 842 W C -0.317 176.189 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.117 57.345 0.117 0.000 1.211 842 W CB 1.697 31.269 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.857 121.785 119.800 0.214 0.000 2.496 843 Q HA 0.480 4.819 4.340 -0.000 0.000 0.286 843 Q C -1.027 175.099 176.000 0.210 0.000 1.103 843 Q CA -0.970 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.500 32.285 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.798 119.892 119.070 0.039 0.000 3.240 844 H HA 0.051 4.607 4.556 -0.000 0.000 0.329 844 H C -0.968 174.385 175.328 0.042 0.000 1.024 844 H CA 0.029 56.111 56.048 0.056 0.000 1.487 844 H CB 0.961 30.764 29.762 0.068 0.000 1.909 844 H HN 0.865 nan 8.280 nan 0.000 0.465 845 Q N 3.218 122.803 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 -0.000 0.000 0.294 845 Q C 0.944 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.137 56.795 55.803 -0.241 0.000 0.853 845 Q CB -1.465 27.095 28.738 -0.298 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.190 108.588 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G C 0.069 174.977 174.900 0.014 0.000 0.980 846 G CA 0.675 45.772 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.228 121.646 120.400 0.030 0.000 2.156 847 K HA 0.620 4.939 4.320 -0.000 0.000 0.271 847 K C -0.132 176.480 176.600 0.020 0.000 0.995 847 K CA -0.123 56.183 56.287 0.032 0.000 0.890 847 K CB 0.860 33.386 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.737 120.292 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 848 T C 1.094 175.728 174.700 -0.110 0.000 0.940 848 T CA -0.565 61.528 62.100 -0.012 0.000 1.013 848 T CB 0.537 69.420 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.995 123.036 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 -0.000 0.000 0.203 849 L C -0.071 176.310 176.870 -0.815 0.000 1.078 849 L CA 0.861 55.250 54.840 -0.752 0.000 0.780 849 L CB -0.036 41.104 42.059 -1.532 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.084 118.817 119.950 -0.083 0.000 2.626 850 F HA 0.593 5.119 4.527 -0.000 0.000 0.311 850 F C -0.518 175.377 175.800 0.159 0.000 1.088 850 F CA -0.865 57.052 58.000 -0.137 0.000 0.949 850 F CB 1.981 40.565 39.000 -0.695 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.422 122.228 120.570 0.394 0.000 2.466 851 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 851 I C -0.887 175.494 176.117 0.440 0.000 1.026 851 I CA -0.573 60.980 61.300 0.421 0.000 1.078 851 I CB 2.227 40.389 38.000 0.271 0.000 1.249 851 I HN 0.569 nan 8.210 nan 0.000 0.429 852 S N 6.716 122.772 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 -0.000 0.000 0.314 852 S C -0.768 174.084 174.600 0.420 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.790 64.421 63.200 0.719 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.436 124.105 120.500 0.282 0.000 2.480 853 R HA 0.556 4.895 4.340 -0.000 0.000 0.306 853 R C -0.755 175.623 176.300 0.130 0.000 0.958 853 R CA -0.776 55.448 56.100 0.206 0.000 0.861 853 R CB 1.930 32.324 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.672 121.145 120.400 0.122 0.000 2.395 854 K HA 0.558 4.878 4.320 -0.000 0.000 0.245 854 K C -0.726 175.859 176.600 -0.024 0.000 1.017 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.852 854 K CB 2.444 34.887 32.500 -0.095 0.000 1.311 854 K HN 0.623 nan 8.250 nan 0.000 0.452 855 T N -1.415 113.036 114.554 -0.171 0.000 2.952 855 T HA 0.534 4.883 4.350 -0.000 0.000 0.305 855 T C -1.456 173.118 174.700 -0.210 0.000 1.064 855 T CA -0.786 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.430 69.281 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.249 121.530 120.300 -0.032 0.000 2.350 856 Y HA 0.704 5.254 4.550 -0.000 0.000 0.338 856 Y C 0.392 176.239 175.900 -0.088 0.000 0.961 856 Y CA -1.100 56.989 58.100 -0.019 0.000 1.100 856 Y CB 2.014 40.479 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.907 125.455 120.500 0.079 0.000 2.483 857 R HA 0.633 4.973 4.340 -0.000 0.000 0.303 857 R C -1.999 174.262 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.835 31.128 30.300 -0.013 0.000 1.177 857 R HN 0.819 nan 8.270 nan 0.000 0.451 858 I N 4.589 125.066 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 858 I C -0.384 175.633 176.117 -0.167 0.000 0.994 858 I CA -0.945 60.203 61.300 -0.254 0.000 1.158 858 I CB 1.612 39.297 38.000 -0.526 0.000 1.315 858 I HN 0.709 nan 8.210 nan 0.000 0.451 859 D N 4.026 124.358 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 -0.000 0.000 0.254 859 D C 1.232 177.512 176.300 -0.032 0.000 1.089 859 D CA -0.692 53.273 54.000 -0.059 0.000 1.050 859 D CB 0.958 41.739 40.800 -0.032 0.000 1.221 859 D HN 0.501 nan 8.370 nan 0.000 0.589 860 G N -1.220 107.569 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 860 G C 1.171 176.076 174.900 0.008 0.000 1.119 860 G CA 1.079 46.177 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.861 114.843 115.700 0.007 0.000 2.593 861 S HA 0.371 4.840 4.470 -0.000 0.000 0.217 861 S C 1.699 176.339 174.600 0.066 0.000 0.966 861 S CA 0.891 59.105 58.200 0.024 0.000 0.914 861 S CB -0.007 63.202 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.855 109.707 108.800 0.087 0.000 2.160 862 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.244 862 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.244 862 G C -0.356 174.647 174.900 0.171 0.000 1.022 862 G CA -0.004 45.211 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.786 119.057 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 -0.000 0.000 0.260 863 Q C 0.059 176.071 176.000 0.019 0.000 0.974 863 Q CA -0.607 55.245 55.803 0.082 0.000 0.876 863 Q CB 1.995 30.782 28.738 0.081 0.000 1.297 863 Q HN 0.391 nan 8.270 nan 0.000 0.446 864 M N 2.016 121.665 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 -0.000 0.000 0.332 864 M C -1.515 174.885 176.300 0.167 0.000 1.014 864 M CA -0.513 54.826 55.300 0.064 0.000 0.956 864 M CB 1.106 33.739 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.973 129.859 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 -0.000 0.000 0.320 865 A C -0.893 176.731 177.584 0.066 0.000 1.217 865 A CA -0.695 51.405 52.037 0.106 0.000 0.840 865 A CB 0.552 19.594 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.456 122.048 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 866 I C -0.178 175.835 176.117 -0.174 0.000 1.005 866 I CA -0.383 60.846 61.300 -0.119 0.000 1.113 866 I CB 2.378 40.324 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.033 119.429 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 867 T C -0.612 173.883 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.563 62.100 -0.256 0.000 0.966 867 T CB 1.866 70.676 68.868 -0.096 0.000 0.962 867 T HN 0.252 nan 8.240 nan 0.000 0.438 868 V N 3.965 123.549 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.712 4.120 -0.000 0.000 0.302 868 V C -0.783 175.141 176.094 -0.283 0.000 1.035 868 V CA -0.914 61.088 62.300 -0.497 0.000 0.873 868 V CB 2.113 33.383 31.823 -0.922 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.063 123.465 120.400 0.004 0.000 2.686 869 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 869 D C -1.122 175.308 176.300 0.216 0.000 1.260 869 D CA -0.120 53.984 54.000 0.174 0.000 0.910 869 D CB 2.788 43.721 40.800 0.221 0.000 1.323 869 D HN 0.275 nan 8.370 nan 0.000 0.561 870 V N 1.889 121.968 119.914 0.275 0.000 2.628 870 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 870 V C 0.049 176.292 176.094 0.248 0.000 1.045 870 V CA -0.704 61.766 62.300 0.283 0.000 0.905 870 V CB 2.530 34.544 31.823 0.320 0.000 0.997 870 V HN 0.385 nan 8.190 nan 0.000 0.436 871 E N 1.927 122.261 120.200 0.222 0.000 2.187 871 E HA 0.678 5.028 4.350 -0.000 0.000 0.268 871 E C -1.592 175.133 176.600 0.209 0.000 0.896 871 E CA -0.488 56.023 56.400 0.185 0.000 0.766 871 E CB 2.386 32.181 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.285 122.322 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 872 V C -0.062 176.132 176.094 0.167 0.000 1.028 872 V CA -1.009 61.435 62.300 0.241 0.000 0.860 872 V CB 1.604 33.591 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.219 126.108 122.820 0.114 0.000 2.548 873 A HA 0.295 4.615 4.320 -0.000 0.000 0.247 873 A C 1.676 179.337 177.584 0.129 0.000 1.067 873 A CA 0.638 52.725 52.037 0.083 0.000 0.757 873 A CB 0.250 19.265 19.000 0.026 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.624 117.392 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 874 S C 0.985 175.670 174.600 0.142 0.000 1.025 874 S CA 1.598 59.879 58.200 0.135 0.000 0.993 874 S CB -0.342 62.914 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.279 120.739 120.400 0.101 0.000 2.325 875 D HA 0.152 4.792 4.640 -0.000 0.000 0.225 875 D C 0.507 176.858 176.300 0.084 0.000 1.096 875 D CA 0.018 54.064 54.000 0.078 0.000 0.844 875 D CB -0.330 40.499 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.754 115.387 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 876 T C -2.673 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.180 62.100 0.176 0.000 1.042 876 T CB 1.394 70.380 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.192 nan 4.420 nan 0.000 0.271 877 P C -0.640 176.971 177.300 0.518 0.000 1.216 877 P CA -0.235 62.975 63.100 0.183 0.000 0.776 877 P CB 0.149 31.936 31.700 0.146 0.000 0.881 878 H N 2.938 122.353 119.070 0.574 0.000 2.964 878 H HA 0.091 4.647 4.556 -0.000 0.000 0.328 878 H C -1.871 173.804 175.328 0.578 0.000 1.030 878 H CA -1.735 54.600 56.048 0.478 0.000 1.445 878 H CB -0.952 29.026 29.762 0.361 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.388 177.610 177.300 -0.130 0.000 1.231 879 P CA -0.335 62.836 63.100 0.118 0.000 0.790 879 P CB 0.839 32.472 31.700 -0.112 0.000 0.951 880 A N 3.092 125.602 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 880 A C 1.069 178.282 177.584 -0.618 0.000 1.169 880 A CA 1.470 53.152 52.037 -0.593 0.000 0.635 880 A CB -0.559 17.896 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.939 117.235 120.500 -0.543 0.000 2.752 881 R HA 0.704 5.044 4.340 -0.000 0.000 0.277 881 R C -1.888 174.174 176.300 -0.397 0.000 1.024 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.866 881 R CB 0.584 30.515 30.300 -0.614 0.000 1.278 881 R HN 0.026 nan 8.270 nan 0.000 0.473 882 I N 1.059 121.428 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 -0.000 0.000 0.280 882 I C -0.473 175.416 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.315 0.000 1.080 882 I CB 1.789 39.678 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.770 114.303 108.800 -0.445 0.000 2.578 883 G HA2 0.732 4.692 3.960 -0.000 0.000 0.302 883 G HA3 0.732 4.692 3.960 -0.000 0.000 0.302 883 G C -1.764 172.963 174.900 -0.288 0.000 1.243 883 G CA -0.535 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.295 nan 8.290 nan 0.000 0.486 884 L N 0.548 121.651 121.223 -0.201 0.000 2.303 884 L HA 0.707 5.047 4.340 -0.000 0.000 0.256 884 L C -0.706 176.061 176.870 -0.171 0.000 1.034 884 L CA -1.123 53.617 54.840 -0.166 0.000 0.832 884 L CB 2.604 44.632 42.059 -0.053 0.000 1.403 884 L HN 0.869 nan 8.230 nan 0.000 0.419 885 N N 0.097 118.725 118.700 -0.120 0.000 2.823 885 N HA 0.670 5.410 4.740 -0.000 0.000 0.251 885 N C -1.342 174.181 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.156 40.621 38.487 -0.037 0.000 1.481 885 N HN 0.898 nan 8.380 nan 0.000 0.508 886 C N -1.634 117.721 119.300 0.092 0.000 3.253 886 C HA 0.578 5.038 4.460 -0.000 0.000 0.342 886 C C -1.380 173.537 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.213 59.018 0.047 0.000 1.207 886 C CB 0.939 28.687 27.740 0.013 0.000 1.479 886 C HN 0.882 nan 8.230 nan 0.000 0.469 887 Q N 1.309 120.820 119.800 -0.482 0.000 2.347 887 Q HA 0.684 5.024 4.340 -0.000 0.000 0.262 887 Q C -1.044 174.678 176.000 -0.463 0.000 0.980 887 Q CA -0.442 54.804 55.803 -0.927 0.000 0.867 887 Q CB 0.899 28.710 28.738 -1.546 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.612 123.642 121.223 -0.322 0.000 2.375 888 L HA 0.354 4.694 4.340 -0.000 0.000 0.271 888 L C 1.184 177.961 176.870 -0.155 0.000 1.107 888 L CA -0.341 54.414 54.840 -0.142 0.000 0.806 888 L CB 0.972 43.043 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.119 124.872 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 889 A C 1.164 178.713 177.584 -0.059 0.000 1.175 889 A CA 0.878 52.851 52.037 -0.107 0.000 0.627 889 A CB -0.318 18.618 19.000 -0.106 0.000 0.815 889 A HN 0.818 nan 8.150 nan 0.000 0.443 890 Q N -0.526 119.269 119.800 -0.008 0.000 2.368 890 Q HA 0.463 4.803 4.340 -0.000 0.000 0.237 890 Q C -1.141 174.877 176.000 0.030 0.000 0.987 890 Q CA 0.098 55.899 55.803 -0.003 0.000 0.896 890 Q CB 0.965 29.710 28.738 0.013 0.000 1.241 890 Q HN 0.152 nan 8.270 nan 0.000 0.485 891 V N 2.316 122.214 119.914 -0.026 0.000 2.612 891 V HA 0.789 4.909 4.120 -0.000 0.000 0.301 891 V C -0.833 175.210 176.094 -0.084 0.000 1.059 891 V CA -0.143 62.172 62.300 0.026 0.000 0.886 891 V CB 1.152 32.987 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.238 125.971 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 -0.000 0.000 0.293 892 A C 0.526 178.143 177.584 0.055 0.000 1.186 892 A CA -0.337 51.588 52.037 -0.185 0.000 0.828 892 A CB 1.643 20.329 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.235 119.988 120.200 0.038 0.000 2.060 893 E HA 0.072 4.421 4.350 -0.000 0.000 0.189 893 E C 0.614 177.299 176.600 0.142 0.000 0.974 893 E CA 0.989 57.439 56.400 0.083 0.000 0.808 893 E CB 0.142 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.531 120.061 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 -0.000 0.000 0.258 894 R C -1.042 175.445 176.300 0.312 0.000 1.066 894 R CA -0.900 55.319 56.100 0.198 0.000 1.045 894 R CB 2.072 32.457 30.300 0.142 0.000 1.178 894 R HN -0.141 nan 8.270 nan 0.000 0.499 895 V N 1.447 121.551 119.914 0.317 0.000 2.623 895 V HA 0.325 4.444 4.120 -0.000 0.000 0.304 895 V C -0.710 175.655 176.094 0.452 0.000 1.054 895 V CA -0.967 61.562 62.300 0.382 0.000 0.882 895 V CB 1.920 33.928 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.968 122.925 118.700 0.428 0.000 2.295 896 N HA 0.570 5.310 4.740 -0.000 0.000 0.293 896 N C -1.454 174.334 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.375 0.000 0.840 896 N CB 3.024 41.620 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.009 124.371 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 -0.000 0.000 0.332 897 W C -2.165 174.363 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.726 30.266 29.460 0.134 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.767 125.015 121.223 0.043 0.000 2.324 898 L HA 0.910 5.249 4.340 -0.000 0.000 0.274 898 L C -0.050 176.796 176.870 -0.040 0.000 1.012 898 L CA 0.375 55.076 54.840 -0.233 0.000 0.859 898 L CB 0.772 42.741 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.662 112.357 108.800 -0.175 0.000 2.393 899 G HA2 0.220 4.180 3.960 -0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 -0.000 0.000 0.264 899 G C -1.633 173.431 174.900 0.274 0.000 1.221 899 G CA -0.994 44.219 45.100 0.190 0.000 0.912 899 G HN 0.375 nan 8.290 nan 0.000 0.483 900 L N 1.266 122.722 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 900 L C 0.964 177.887 176.870 0.089 0.000 1.106 900 L CA 0.448 55.432 54.840 0.239 0.000 0.824 900 L CB 0.670 42.798 42.059 0.114 0.000 1.142 900 L HN 1.037 nan 8.230 nan 0.000 0.443 901 G N 3.156 111.732 108.800 -0.373 0.000 2.554 901 G HA2 0.400 4.360 3.960 -0.000 0.000 0.306 901 G HA3 0.400 4.360 3.960 -0.000 0.000 0.306 901 G C -2.768 171.276 174.900 -1.426 0.000 1.320 901 G CA -0.304 44.157 45.100 -1.064 0.000 0.800 901 G HN 0.321 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.402 177.485 177.300 -0.361 0.000 1.233 902 P CA 0.310 62.790 63.100 -1.033 0.000 0.827 902 P CB 0.783 32.044 31.700 -0.732 0.000 1.154 903 Q N 0.622 120.221 119.800 -0.335 0.000 2.318 903 Q HA 0.142 4.482 4.340 -0.000 0.000 0.222 903 Q C 0.381 176.258 176.000 -0.206 0.000 1.003 903 Q CA -0.551 55.130 55.803 -0.204 0.000 0.936 903 Q CB 0.695 29.342 28.738 -0.151 0.000 1.204 903 Q HN 0.108 nan 8.270 nan 0.000 0.524 904 E N 1.321 121.414 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 -0.000 0.000 0.259 904 E C -1.180 175.339 176.600 -0.135 0.000 0.951 904 E CA 0.292 56.581 56.400 -0.185 0.000 0.945 904 E CB 0.210 29.873 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.805 121.346 118.700 -0.266 0.000 2.308 905 N HA 0.318 5.057 4.740 -0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.723 39.120 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.074 120.282 120.300 -0.152 0.000 2.598 906 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 906 Y C -1.610 174.220 175.900 -0.116 0.000 1.038 906 Y CA -2.076 55.923 58.100 -0.167 0.000 1.100 906 Y CB 1.721 40.076 38.460 -0.174 0.000 1.281 906 Y HN 0.434 nan 8.280 nan 0.000 0.488 907 P HA -0.187 nan 4.420 nan 0.000 0.216 907 P C 0.413 177.663 177.300 -0.082 0.000 1.154 907 P CA 2.152 65.295 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.206 0.000 0.789 908 D N -2.147 118.019 120.400 -0.391 0.000 2.358 908 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 908 D C 0.567 176.733 176.300 -0.223 0.000 1.123 908 D CA -0.017 53.549 54.000 -0.724 0.000 0.833 908 D CB -0.229 39.773 40.800 -1.331 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.010 121.475 120.500 -0.059 0.000 2.837 909 R HA 0.208 4.548 4.340 -0.000 0.000 0.245 909 R C -0.807 175.527 176.300 0.056 0.000 1.712 909 R CA -0.209 55.909 56.100 0.030 0.000 1.539 909 R CB 0.076 30.395 30.300 0.032 0.000 1.490 909 R HN 0.111 nan 8.270 nan 0.000 0.667 910 L N -1.056 120.209 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 -0.000 0.000 0.338 910 L C 1.175 178.105 176.870 0.101 0.000 1.275 910 L CA 0.060 54.938 54.840 0.063 0.000 1.092 910 L CB 0.184 42.264 42.059 0.034 0.000 1.465 910 L HN 0.140 nan 8.230 nan 0.000 0.625 911 T N -2.579 112.063 114.554 0.146 0.000 2.915 911 T HA 0.059 4.409 4.350 -0.000 0.000 0.269 911 T C 1.698 176.493 174.700 0.157 0.000 1.071 911 T CA 1.274 63.489 62.100 0.191 0.000 1.132 911 T CB -0.193 68.826 68.868 0.252 0.000 0.878 911 T HN 0.402 nan 8.240 nan 0.000 0.479 912 A N 1.284 124.199 122.820 0.159 0.000 2.119 912 A HA 0.681 5.001 4.320 -0.000 0.000 0.216 912 A C 1.658 179.338 177.584 0.160 0.000 1.152 912 A CA 0.497 52.589 52.037 0.091 0.000 0.708 912 A CB -0.880 18.288 19.000 0.280 0.000 0.805 912 A HN 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.072 122.863 120.400 -1.016 0.000 3.145 916 D HA 0.310 4.950 4.640 -0.000 0.000 0.345 916 D C -1.539 173.835 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.465 54.000 -1.302 0.000 0.930 916 D CB 2.274 42.255 40.800 -1.366 0.000 1.451 916 D HN 0.621 nan 8.370 nan 0.000 0.555 917 R N 0.564 120.199 120.500 -1.441 0.000 2.255 917 R HA 0.466 4.805 4.340 -0.000 0.000 0.326 917 R C -1.372 174.097 176.300 -1.384 0.000 0.986 917 R CA -0.432 54.975 56.100 -1.155 0.000 0.847 917 R CB 0.576 30.479 30.300 -0.661 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.624 123.360 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 -0.000 0.000 0.340 918 W C -0.515 175.619 176.519 -0.642 0.000 1.060 918 W CA -0.666 56.086 57.345 -0.990 0.000 1.218 918 W CB 1.545 29.928 29.460 -1.795 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.614 122.962 120.400 -0.085 0.000 2.736 919 D HA 0.522 5.161 4.640 -0.000 0.000 0.243 919 D C -1.286 175.111 176.300 0.160 0.000 1.304 919 D CA -0.129 53.919 54.000 0.080 0.000 0.934 919 D CB 1.218 42.031 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.531 123.917 121.223 0.272 0.000 2.397 920 L HA 0.570 4.909 4.340 -0.000 0.000 0.251 920 L C -2.521 174.473 176.870 0.206 0.000 1.064 920 L CA -2.174 52.802 54.840 0.227 0.000 0.859 920 L CB 2.683 44.908 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.143 nan 4.420 nan 0.000 0.284 921 P C 0.490 177.874 177.300 0.140 0.000 1.253 921 P CA -0.476 62.705 63.100 0.135 0.000 0.800 921 P CB 1.206 32.964 31.700 0.098 0.000 0.961 922 L N 3.684 124.996 121.223 0.148 0.000 2.064 922 L HA -0.309 4.031 4.340 -0.000 0.000 0.216 922 L C 2.224 179.153 176.870 0.098 0.000 1.077 922 L CA 2.824 57.739 54.840 0.126 0.000 0.766 922 L CB -1.517 40.630 42.059 0.146 0.000 0.890 922 L HN 0.455 nan 8.230 nan 0.000 0.435 923 S N -1.522 114.236 115.700 0.097 0.000 2.374 923 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 923 S C 1.653 176.329 174.600 0.127 0.000 1.037 923 S CA 1.348 59.614 58.200 0.110 0.000 1.024 923 S CB -0.928 62.326 63.200 0.090 0.000 0.861 923 S HN 0.542 nan 8.310 nan 0.000 0.456 924 D N 1.264 121.720 120.400 0.093 0.000 2.350 924 D HA 0.060 4.700 4.640 -0.000 0.000 0.216 924 D C 1.247 177.569 176.300 0.037 0.000 0.968 924 D CA 0.634 54.671 54.000 0.063 0.000 0.894 924 D CB -0.231 40.609 40.800 0.066 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.377 119.256 119.600 0.055 0.000 2.568 925 M HA 0.065 4.544 4.480 -0.000 0.000 0.226 925 M C -0.113 176.217 176.300 0.049 0.000 1.148 925 M CA 0.028 55.322 55.300 -0.010 0.000 1.007 925 M CB -0.983 31.602 32.600 -0.024 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.443 119.823 120.300 -0.056 0.000 2.425 926 Y HA 0.475 5.025 4.550 -0.000 0.000 0.344 926 Y C -0.854 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.849 57.224 58.100 -0.044 0.000 1.052 926 Y CB 1.444 39.932 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.750 122.799 114.554 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 -0.000 0.000 0.306 927 T C -2.651 171.225 174.700 -1.374 0.000 1.020 927 T CA -1.512 59.995 62.100 -0.989 0.000 0.948 927 T CB 0.985 69.366 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.082 nan 4.420 nan 0.000 0.238 928 P C -0.584 176.554 177.300 -0.270 0.000 1.714 928 P CA -0.382 62.298 63.100 -0.701 0.000 0.908 928 P CB -0.837 30.601 31.700 -0.436 0.000 1.893 929 Y N -0.400 119.805 120.300 -0.159 0.000 2.717 929 Y HA -0.098 4.452 4.550 -0.000 0.000 0.330 929 Y C 2.278 178.218 175.900 0.066 0.000 1.217 929 Y CA -0.402 57.681 58.100 -0.027 0.000 1.506 929 Y CB 0.459 38.858 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.045 124.165 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 930 V C 0.629 176.888 176.094 0.274 0.000 1.062 930 V CA 1.608 64.092 62.300 0.306 0.000 1.038 930 V CB -0.534 31.504 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.480 123.482 119.950 0.087 0.000 2.391 931 F HA 0.496 5.023 4.527 -0.000 0.000 0.359 931 F C -2.326 173.492 175.800 0.029 0.000 1.122 931 F CA -3.149 54.855 58.000 0.007 0.000 1.120 931 F CB 0.944 39.854 39.000 -0.151 0.000 1.142 931 F HN 0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.350 nan 4.420 nan 0.000 0.278 932 P C -1.225 175.854 177.300 -0.368 0.000 1.238 932 P CA -0.193 62.715 63.100 -0.321 0.000 0.794 932 P CB 1.696 33.227 31.700 -0.281 0.000 0.955 933 S N -0.231 115.418 115.700 -0.085 0.000 2.683 933 S HA 0.379 4.849 4.470 -0.000 0.000 0.269 933 S C -0.837 173.779 174.600 0.028 0.000 1.165 933 S CA -0.913 57.277 58.200 -0.018 0.000 0.840 933 S CB 0.227 63.457 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.303 121.524 120.200 0.034 0.000 2.652 934 E HA 0.323 4.673 4.350 -0.000 0.000 0.255 934 E C -0.086 176.572 176.600 0.096 0.000 0.952 934 E CA 1.091 57.529 56.400 0.063 0.000 0.947 934 E CB -0.493 29.262 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.586 120.375 118.700 0.148 0.000 3.106 935 N HA 0.522 5.262 4.740 -0.000 0.000 0.253 935 N C 0.384 175.959 175.510 0.108 0.000 1.506 935 N CA -0.660 52.519 53.050 0.215 0.000 0.876 935 N CB 0.591 39.206 38.487 0.213 0.000 1.452 935 N HN 0.647 nan 8.380 nan 0.000 0.542 936 G N -1.365 107.459 108.800 0.040 0.000 2.189 936 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.267 936 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.267 936 G C -0.108 174.559 174.900 -0.389 0.000 0.975 936 G CA 0.560 45.570 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.201 122.131 121.223 -0.489 0.000 2.529 937 L HA 0.436 4.776 4.340 -0.000 0.000 0.287 937 L C 0.831 177.138 176.870 -0.940 0.000 1.241 937 L CA 0.527 54.834 54.840 -0.888 0.000 0.857 937 L CB 0.366 41.588 42.059 -1.395 0.000 1.113 937 L HN 0.352 nan 8.230 nan 0.000 0.504 938 R N 3.877 123.731 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.828 4.340 -0.000 0.000 0.293 938 R C -1.156 174.765 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.776 30.539 30.300 -0.896 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.226 118.855 119.300 -0.365 0.000 2.354 939 C HA 0.687 5.147 4.460 -0.000 0.000 0.381 939 C C 1.314 176.272 174.990 -0.054 0.000 1.240 939 C CA 0.225 59.119 59.018 -0.207 0.000 2.089 939 C CB 1.099 28.745 27.740 -0.158 0.000 2.234 939 C HN 1.065 nan 8.230 nan 0.000 0.544 940 G N 2.014 110.795 108.800 -0.033 0.000 2.366 940 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.299 940 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.299 940 G C -0.133 174.822 174.900 0.091 0.000 1.020 940 G CA 0.482 45.611 45.100 0.048 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.292 114.183 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 941 T C 1.431 175.808 174.700 -0.539 0.000 0.990 941 T CA -0.602 61.364 62.100 -0.222 0.000 1.028 941 T CB 1.542 70.250 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.160 121.569 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 -0.000 0.000 0.195 942 R C 0.439 176.798 176.300 0.099 0.000 0.905 942 R CA 0.144 56.227 56.100 -0.029 0.000 1.044 942 R CB 0.909 31.313 30.300 0.173 0.000 1.056 942 R HN 0.614 nan 8.270 nan 0.000 0.535 943 E N 1.016 121.291 120.200 0.125 0.000 2.321 943 E HA 0.283 4.633 4.350 -0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.280 0.000 0.910 943 E CA -0.592 55.957 56.400 0.249 0.000 0.770 943 E CB 1.798 31.608 29.700 0.183 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.065 125.508 121.223 0.366 0.000 2.410 944 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 944 L C -1.925 175.180 176.870 0.391 0.000 0.983 944 L CA -0.414 54.593 54.840 0.279 0.000 0.822 944 L CB 1.877 43.942 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.264 123.158 118.700 0.325 0.000 2.399 945 N HA 0.424 5.164 4.740 -0.000 0.000 0.284 945 N C -2.037 173.725 175.510 0.419 0.000 1.025 945 N CA -0.206 53.039 53.050 0.325 0.000 0.885 945 N CB 2.024 40.640 38.487 0.214 0.000 1.339 945 N HN 0.620 nan 8.380 nan 0.000 0.487 946 Y N 1.388 121.859 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 -0.000 0.000 0.322 946 Y C 0.563 176.602 175.900 0.233 0.000 1.133 946 Y CA 0.178 58.430 58.100 0.253 0.000 1.093 946 Y CB 0.600 39.239 38.460 0.300 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.337 115.048 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G C -1.883 172.956 174.900 -0.102 0.000 1.175 947 G CA -0.031 44.961 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.144 nan 4.420 nan 0.000 0.241 948 P C 0.459 177.514 177.300 -0.408 0.000 1.191 948 P CA 0.969 63.890 63.100 -0.299 0.000 0.771 948 P CB -0.057 31.388 31.700 -0.424 0.000 0.929 949 H N -0.278 118.744 119.070 -0.080 0.000 2.505 949 H HA 0.527 5.083 4.556 -0.000 0.000 0.351 949 H C 0.314 175.421 175.328 -0.368 0.000 1.151 949 H CA -0.126 55.758 56.048 -0.272 0.000 1.339 949 H CB 0.831 30.244 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.153 121.700 119.800 -0.422 0.000 2.284 950 Q HA 0.258 4.598 4.340 -0.000 0.000 0.269 950 Q C -1.955 173.804 176.000 -0.403 0.000 1.026 950 Q CA -0.753 54.901 55.803 -0.248 0.000 0.831 950 Q CB 1.755 30.484 28.738 -0.015 0.000 1.322 950 Q HN 0.624 nan 8.270 nan 0.000 0.419 951 W N 3.668 124.973 121.300 0.009 0.000 2.819 951 W HA 0.621 5.281 4.660 -0.000 0.000 0.337 951 W C -0.560 176.057 176.519 0.164 0.000 1.077 951 W CA -0.800 56.518 57.345 -0.045 0.000 1.226 951 W CB 2.204 31.450 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.973 121.731 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 -0.000 0.000 0.277 952 R C 0.079 176.664 176.300 0.475 0.000 0.987 952 R CA -0.685 55.683 56.100 0.446 0.000 0.901 952 R CB 2.299 32.771 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.629 109.744 108.800 0.524 0.000 2.534 953 G HA2 0.041 4.001 3.960 -0.000 0.000 0.142 953 G HA3 0.041 4.001 3.960 -0.000 0.000 0.142 953 G C -1.703 173.380 174.900 0.304 0.000 1.178 953 G CA -0.398 44.964 45.100 0.436 0.000 1.037 953 G HN 0.512 nan 8.290 nan 0.000 0.474 954 D N 0.486 121.087 120.400 0.335 0.000 2.330 954 D HA 0.586 5.225 4.640 -0.000 0.000 0.249 954 D C -0.892 175.453 176.300 0.074 0.000 1.306 954 D CA -0.264 53.781 54.000 0.075 0.000 0.956 954 D CB 0.679 41.528 40.800 0.082 0.000 1.261 954 D HN 0.439 nan 8.370 nan 0.000 0.544 955 F N 0.018 119.966 119.950 -0.003 0.000 2.950 955 F HA 0.620 5.146 4.527 -0.000 0.000 0.327 955 F C -1.082 174.685 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.707 39.633 39.000 -0.124 0.000 1.442 955 F HN -0.155 nan 8.300 nan 0.000 0.509 956 Q N 1.352 121.237 119.800 0.142 0.000 2.413 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.276 956 Q C -1.409 174.679 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.004 0.000 0.814 956 Q CB 2.915 31.522 28.738 -0.219 0.000 1.379 956 Q HN 0.923 nan 8.270 nan 0.000 0.436 957 F N -1.146 118.684 119.950 -0.200 0.000 2.779 957 F HA 0.781 5.308 4.527 -0.000 0.000 0.316 957 F C -1.803 173.789 175.800 -0.347 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.519 40.390 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.064 119.634 118.700 -0.217 0.000 2.494 958 N HA 0.723 5.463 4.740 -0.000 0.000 0.270 958 N C -2.165 173.330 175.510 -0.026 0.000 1.285 958 N CA -0.704 52.184 53.050 -0.271 0.000 0.812 958 N CB 2.496 40.814 38.487 -0.283 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.249 120.785 120.570 -0.057 0.000 2.685 959 I HA 0.628 4.798 4.170 -0.000 0.000 0.289 959 I C -1.379 174.696 176.117 -0.070 0.000 1.292 959 I CA 0.089 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.341 39.228 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.423 122.098 115.700 -0.042 0.000 2.714 960 S HA 0.531 5.001 4.470 -0.000 0.000 0.280 960 S C -0.437 174.106 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.225 58.200 -0.044 0.000 0.900 960 S CB 1.601 64.845 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.034 120.305 120.500 -0.381 0.000 2.466 961 R HA 0.301 4.640 4.340 -0.000 0.000 0.279 961 R C -1.071 174.881 176.300 -0.579 0.000 0.976 961 R CA 0.166 55.969 56.100 -0.494 0.000 1.081 961 R CB -0.625 29.226 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.160 120.463 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 -0.000 0.000 0.341 962 Y C 0.737 176.404 175.900 -0.390 0.000 0.965 962 Y CA -1.178 56.833 58.100 -0.149 0.000 1.067 962 Y CB 1.499 39.814 38.460 -0.241 0.000 1.199 962 Y HN -0.082 nan 8.280 nan 0.000 0.450 963 S N 1.605 117.000 115.700 -0.510 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.850 175.147 174.600 -0.506 0.000 1.334 963 S CA -0.658 56.901 58.200 -1.070 0.000 1.015 963 S CB 1.145 63.761 63.200 -0.972 0.000 0.912 963 S HN 0.767 nan 8.310 nan 0.000 0.541 964 Q N 0.571 120.069 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 964 Q C 2.176 178.057 176.000 -0.198 0.000 0.977 964 Q CA 1.639 57.287 55.803 -0.260 0.000 0.850 964 Q CB -0.439 28.181 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.717 120.375 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 965 Q C 2.063 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.299 57.015 55.803 -0.146 0.000 0.844 965 Q CB 0.037 28.707 28.738 -0.114 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.111 119.820 119.800 -0.151 0.000 2.030 966 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 966 Q C 2.359 178.273 176.000 -0.144 0.000 0.986 966 Q CA 1.486 57.217 55.803 -0.121 0.000 0.843 966 Q CB -0.132 28.530 28.738 -0.126 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.084 121.210 121.223 -0.162 0.000 2.042 967 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 967 L C 2.708 179.471 176.870 -0.178 0.000 1.076 967 L CA 1.340 56.073 54.840 -0.178 0.000 0.749 967 L CB -0.412 41.568 42.059 -0.133 0.000 0.893 967 L HN 0.415 nan 8.230 nan 0.000 0.432 968 M N -0.463 119.057 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 968 M C 1.680 177.915 176.300 -0.108 0.000 1.064 968 M CA 1.679 56.912 55.300 -0.110 0.000 1.109 968 M CB 0.091 32.633 32.600 -0.098 0.000 1.396 968 M HN 0.199 nan 8.290 nan 0.000 0.430 969 E N -0.767 119.371 120.200 -0.102 0.000 2.447 969 E HA 0.054 4.403 4.350 -0.000 0.000 0.195 969 E C -0.220 176.338 176.600 -0.070 0.000 1.028 969 E CA 0.153 56.512 56.400 -0.069 0.000 0.876 969 E CB 0.471 30.144 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.556 115.037 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 -0.000 0.000 0.286 970 T C 1.127 175.725 174.700 -0.171 0.000 0.973 970 T CA -0.359 61.668 62.100 -0.122 0.000 1.035 970 T CB 1.618 70.394 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.869 117.553 115.700 -0.027 0.000 2.501 971 S HA 0.072 4.542 4.470 -0.000 0.000 0.220 971 S C 0.274 174.906 174.600 0.054 0.000 0.997 971 S CA 0.250 58.479 58.200 0.049 0.000 0.919 971 S CB -0.197 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.383 119.442 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 -0.000 0.000 0.367 972 H C 0.939 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.741 55.376 56.048 0.114 0.000 1.178 972 H CB 1.509 31.410 29.762 0.232 0.000 1.718 972 H HN 0.107 nan 8.280 nan 0.000 0.540 973 R N 1.408 122.047 120.500 0.231 0.000 2.117 973 R HA -0.218 4.122 4.340 -0.000 0.000 0.243 973 R C 1.403 177.742 176.300 0.064 0.000 1.143 973 R CA 2.127 58.292 56.100 0.109 0.000 0.968 973 R CB -0.628 29.750 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.594 120.678 119.070 0.023 0.000 2.489 974 H HA -0.020 4.536 4.556 -0.000 0.000 0.293 974 H C 1.620 176.882 175.328 -0.111 0.000 1.066 974 H CA 1.153 57.167 56.048 -0.058 0.000 1.305 974 H CB -0.281 29.425 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.848 121.679 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 975 L C 0.525 177.304 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.501 54.840 -0.437 0.000 0.877 975 L CB -0.115 41.686 42.059 -0.429 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.342 121.469 121.223 -0.159 0.000 2.399 976 L HA 0.324 4.663 4.340 -0.000 0.000 0.266 976 L C 0.109 176.999 176.870 0.033 0.000 1.114 976 L CA -0.460 54.283 54.840 -0.162 0.000 0.804 976 L CB 0.688 42.458 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.588 119.743 119.070 0.141 0.000 2.806 977 H HA 0.640 5.196 4.556 -0.000 0.000 0.367 977 H C -0.848 174.584 175.328 0.173 0.000 1.136 977 H CA -1.227 54.908 56.048 0.145 0.000 1.178 977 H CB 1.302 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.837 125.690 122.820 0.055 0.000 2.531 978 A HA 0.095 4.414 4.320 -0.000 0.000 0.236 978 A C 0.368 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.070 51.822 52.037 -0.241 0.000 0.760 978 A CB -0.010 18.858 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.500 120.624 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 -0.000 0.000 0.258 979 E C 0.710 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.699 55.728 56.400 0.044 0.000 0.929 979 E CB 0.658 30.480 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.276 120.469 120.200 -0.012 0.000 2.065 980 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 980 E C 0.923 177.455 176.600 -0.114 0.000 1.016 980 E CA 1.767 58.129 56.400 -0.063 0.000 0.818 980 E CB 0.015 29.683 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.407 107.274 108.800 -0.198 0.000 3.387 981 G HA2 0.249 4.209 3.960 -0.000 0.000 0.194 981 G HA3 0.249 4.209 3.960 -0.000 0.000 0.194 981 G C -0.642 174.153 174.900 -0.174 0.000 1.417 981 G CA -0.073 44.922 45.100 -0.175 0.000 0.777 981 G HN 0.120 nan 8.290 nan 0.000 0.721 982 T N 0.412 114.852 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 982 T C -1.583 172.970 174.700 -0.245 0.000 0.991 982 T CA -0.120 61.899 62.100 -0.134 0.000 0.966 982 T CB 1.651 70.546 68.868 0.043 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.002 124.215 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 -0.000 0.000 0.311 983 W C -0.414 175.989 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.517 57.345 -0.146 0.000 1.200 983 W CB 0.917 30.301 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.492 126.779 121.223 0.107 0.000 2.381 984 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 984 L C -1.070 175.734 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.237 54.840 -0.117 0.000 0.824 984 L CB 1.020 42.880 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.910 125.526 118.700 -0.139 0.000 2.443 985 N HA 0.498 5.238 4.740 -0.000 0.000 0.269 985 N C -1.214 174.180 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.311 40.727 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.687 122.098 120.570 -0.265 0.000 2.382 986 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 986 I C -0.658 175.296 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.499 61.300 -0.309 0.000 1.142 986 I CB 1.606 39.287 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.604 124.876 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 987 D C 1.021 177.052 176.300 -0.448 0.000 1.054 987 D CA -0.192 53.629 54.000 -0.298 0.000 0.838 987 D CB 2.553 43.270 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.250 109.509 108.800 -0.901 0.000 2.430 988 G HA2 0.036 3.995 3.960 -0.000 0.000 0.216 988 G HA3 0.036 3.995 3.960 -0.000 0.000 0.216 988 G C 0.063 174.103 174.900 -1.434 0.000 1.146 988 G CA 0.491 44.777 45.100 -1.358 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.812 117.931 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 -0.000 0.000 0.308 989 F C -0.695 175.008 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.665 58.000 -0.199 0.000 0.957 989 F CB 1.976 40.799 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.542 121.630 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 -0.000 0.000 0.361 990 H C -1.125 174.227 175.328 0.041 0.000 1.122 990 H CA -0.745 55.289 56.048 -0.022 0.000 1.217 990 H CB 2.395 32.123 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.764 122.327 119.600 -0.062 0.000 2.250 991 M HA 0.249 4.729 4.480 -0.000 0.000 0.325 991 M C 0.555 176.976 176.300 0.201 0.000 1.084 991 M CA 0.479 55.806 55.300 0.044 0.000 1.161 991 M CB 0.354 32.875 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.898 111.790 108.800 0.154 0.000 2.684 992 G HA2 0.325 4.285 3.960 -0.000 0.000 0.255 992 G HA3 0.325 4.285 3.960 -0.000 0.000 0.255 992 G C 0.549 175.428 174.900 -0.036 0.000 1.219 992 G CA -0.285 44.832 45.100 0.029 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.466 118.031 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 -0.000 0.000 0.313 993 I C 1.136 177.182 176.117 -0.119 0.000 1.274 993 I CA 0.503 61.704 61.300 -0.165 0.000 1.301 993 I CB -0.361 37.452 38.000 -0.312 0.000 1.105 993 I HN 0.963 nan 8.210 nan 0.000 0.427 994 G N 1.669 110.415 108.800 -0.090 0.000 2.645 994 G HA2 0.039 3.998 3.960 -0.000 0.000 0.239 994 G HA3 0.039 3.998 3.960 -0.000 0.000 0.239 994 G C 0.570 175.456 174.900 -0.022 0.000 1.331 994 G CA 0.121 45.205 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.287 106.513 108.800 -0.001 0.000 2.559 995 G HA2 0.045 4.005 3.960 -0.000 0.000 0.202 995 G HA3 0.045 4.005 3.960 -0.000 0.000 0.202 995 G C 0.586 175.515 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.969 nan 8.290 nan 0.000 0.525 996 D N 1.224 121.666 120.400 0.070 0.000 2.228 996 D HA 0.131 4.771 4.640 -0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.112 56.208 54.000 0.160 0.000 0.864 996 D CB 0.129 41.039 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.801 116.379 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 -0.000 0.000 0.260 997 D C -0.873 174.841 176.300 -0.976 0.000 1.250 997 D CA -0.733 52.585 54.000 -1.138 0.000 0.763 997 D CB 0.761 40.440 40.800 -1.868 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.142 114.767 115.700 -1.319 0.000 2.588 998 S HA 0.255 4.725 4.470 -0.000 0.000 0.245 998 S C -0.623 174.040 174.600 0.106 0.000 1.021 998 S CA -0.715 57.341 58.200 -0.239 0.000 1.006 998 S CB -0.617 62.751 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.116 122.348 121.300 -0.113 0.000 1.832 999 W HA 0.597 5.257 4.660 -0.000 0.000 0.297 999 W C -0.059 176.399 176.519 -0.102 0.000 0.891 999 W CA -0.703 56.570 57.345 -0.120 0.000 2.000 999 W CB -0.577 28.769 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.292 114.308 115.700 -0.167 0.000 2.595 1000 S HA 0.582 5.052 4.470 -0.000 0.000 0.270 1000 S C -3.255 171.275 174.600 -0.117 0.000 1.145 1000 S CA -1.479 56.641 58.200 -0.134 0.000 0.825 1000 S CB 1.510 64.632 63.200 -0.129 0.000 1.107 1000 S HN -0.196 nan 8.310 nan 0.000 0.461 1001 P HA 0.271 nan 4.420 nan 0.000 0.270 1001 P C 0.260 177.591 177.300 0.050 0.000 1.242 1001 P CA -0.109 62.997 63.100 0.010 0.000 0.768 1001 P CB 0.700 32.300 31.700 -0.167 0.000 0.820 1002 S N 1.062 116.824 115.700 0.103 0.000 2.846 1002 S HA 0.169 4.639 4.470 -0.000 0.000 0.249 1002 S C 0.161 174.831 174.600 0.117 0.000 1.028 1002 S CA -0.350 57.886 58.200 0.061 0.000 1.043 1002 S CB -0.261 62.919 63.200 -0.034 0.000 0.990 1002 S HN 0.099 nan 8.310 nan 0.000 0.564 1003 V N 4.147 124.179 119.914 0.198 0.000 2.385 1003 V HA 0.456 4.576 4.120 -0.000 0.000 0.269 1003 V C 0.791 177.043 176.094 0.264 0.000 1.043 1003 V CA -0.394 62.025 62.300 0.197 0.000 0.906 1003 V CB 0.760 32.665 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.673 120.558 115.700 0.309 0.000 2.572 1004 S HA 0.330 4.799 4.470 -0.000 0.000 0.279 1004 S C 1.507 176.267 174.600 0.267 0.000 1.341 1004 S CA 0.033 58.410 58.200 0.296 0.000 1.043 1004 S CB 1.399 64.740 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.149 125.064 122.820 0.159 0.000 1.958 1005 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 1005 A C 1.915 179.509 177.584 0.016 0.000 1.178 1005 A CA 1.967 54.074 52.037 0.117 0.000 0.642 1005 A CB -1.168 17.880 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.211 118.900 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 1006 E C 0.775 176.996 176.600 -0.632 0.000 1.024 1006 E CA 0.989 57.132 56.400 -0.428 0.000 0.861 1006 E CB -0.311 28.974 29.700 -0.691 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.870 120.872 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 -0.000 0.000 0.305 1007 F C 0.667 176.509 175.800 0.071 0.000 1.090 1007 F CA -0.451 57.599 58.000 0.084 0.000 1.272 1007 F CB 0.370 39.418 39.000 0.080 0.000 1.060 1007 F HN -0.159 nan 8.300 nan 0.000 0.576 1008 Q N 1.188 121.109 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 -0.000 0.000 0.245 1008 Q C -0.225 175.819 176.000 0.073 0.000 0.926 1008 Q CA -0.540 55.367 55.803 0.172 0.000 0.895 1008 Q CB 1.829 30.767 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.355 123.594 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 -0.000 0.000 0.256 1009 L C 0.611 177.381 176.870 -0.166 0.000 1.202 1009 L CA -0.064 54.749 54.840 -0.045 0.000 1.119 1009 L CB -0.293 41.639 42.059 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.065 114.497 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 1010 S C 1.790 176.293 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.113 58.200 -0.511 0.000 0.929 1010 S CB 0.681 63.636 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.850 124.621 122.820 -0.080 0.000 2.024 1011 A HA 0.354 4.674 4.320 -0.000 0.000 0.220 1011 A C 2.202 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.629 53.488 52.037 -0.296 0.000 0.643 1011 A CB -1.401 17.147 19.000 -0.754 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.860 106.878 108.800 -0.104 0.000 2.363 1012 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G C 0.423 175.297 174.900 -0.043 0.000 1.062 1012 G CA 0.454 45.548 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.653 119.656 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 -0.000 0.000 0.288 1013 R C -1.626 174.332 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.334 56.100 -0.224 0.000 0.895 1013 R CB 1.581 31.818 30.300 -0.106 0.000 1.191 1013 R HN 0.215 nan 8.270 nan 0.000 0.444 1014 Y N 0.316 120.612 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 -0.000 0.000 0.347 1014 Y C -0.369 175.704 175.900 0.288 0.000 0.981 1014 Y CA -0.899 57.193 58.100 -0.014 0.000 1.033 1014 Y CB 2.168 40.444 38.460 -0.308 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.598 121.969 119.070 0.500 0.000 2.771 1015 H HA 0.643 5.199 4.556 -0.000 0.000 0.361 1015 H C -1.743 173.956 175.328 0.618 0.000 1.108 1015 H CA -0.981 55.327 56.048 0.434 0.000 1.201 1015 H CB 1.321 31.229 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.276 121.278 120.300 -0.498 0.000 2.656 1016 Y HA 0.526 5.076 4.550 -0.000 0.000 0.334 1016 Y C -2.008 173.684 175.900 -0.346 0.000 1.179 1016 Y CA -1.096 56.826 58.100 -0.297 0.000 1.050 1016 Y CB 1.309 39.712 38.460 -0.095 0.000 1.308 1016 Y HN 0.701 nan 8.280 nan 0.000 0.456 1017 Q N 2.772 122.546 119.800 -0.044 0.000 2.416 1017 Q HA 0.806 5.145 4.340 -0.000 0.000 0.281 1017 Q C -1.929 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.125 54.654 55.803 -0.040 0.000 0.809 1017 Q CB 3.650 32.407 28.738 0.030 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.823 122.094 121.223 0.079 0.000 2.465 1018 L HA 0.695 5.034 4.340 -0.000 0.000 0.257 1018 L C -1.514 175.463 176.870 0.178 0.000 0.988 1018 L CA -1.131 53.793 54.840 0.140 0.000 0.827 1018 L CB 2.809 44.924 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.428 121.482 119.914 0.233 0.000 2.531 1019 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 1019 V C -1.039 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.137 34.083 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.105 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543