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 2dik_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKWVYKFEEG NASMRNLLGG KGCNLAEMTI LGMPIPQGFT VTTEACTEYY DATA SEQUENCE NSGKQITQEI QDQIFEAITW LEELNGKKFG DTEDPLLVSV RSAARASMPG DATA SEQUENCE MMDTILNLGL NDVAVEGFAK KTGNPRFAYD SYRRFIQMYS DVVMEVPKSH DATA SEQUENCE FEKIIDAMKE EKGVHFDTDL TADDLKELAE KFKAVYKEAM NGEEFPQEPK DATA SEQUENCE DQLMGAVKAV FRSWDNPRAI VYRRMNDIPG DWGTAVNVQT MVFGNKGETS DATA SEQUENCE GTGVAFTRNP STGEKGIYGE YLINAQGEDV VAGVRTPQPI TQLENDMPDC DATA SEQUENCE YKQFMDLAMK LEKHFRDMQD MEFTIEEGKL YFLQTANGKR TAPAALQIAC DATA SEQUENCE DLVDEGMITE EEAVVRIEAK SLDQLLHPTF NPAALKAGEV IGSALPASPG DATA SEQUENCE AAAGKVYFTA DEAKAAHEKG ERVILVRLET SPEDIEGMHA AEGILTVRGG DATA SEQUENCE MTSHAAVVAR GMGTCCVSGC GEIKINEEAK TFELGGHTFA EGDYISLDGS DATA SEQUENCE TGKIXXXXIE TQEASVSGSF ERIMVWADKF RTLKVRTNAD TPEDTLNAVK DATA SEQUENCE LGAEGIGLCR TEHMFFEADR IMKIRKMILS DSVEAREEAL NELIPFQKGD DATA SEQUENCE FKAMYKALEG RPMTVRYLDP PLHEFVPHTE EEQAELAKNM GLTLAEVKAK DATA SEQUENCE VDELHEFNPM MGHRGCRLAV TYPEIAKMQT RAVMEAAIEV KEETGIDIVP DATA SEQUENCE EIMIPLVGEK KELKFVKDVV VEVAEQVKKE KGSDMQYHIG TMIEIPRAAL DATA SEQUENCE TADAIAEEAE FFSFGTNDLT QMTFGFSRDD AGKFLDSYYK AKIYESDPFA DATA SEQUENCE RLDQTGVGQL VEMAVKKGRQ TRPGLKCGIC GEHGGDPSSV EFCHKVGLNY DATA SEQUENCE VSCSPFRVPI ARLAAAQAAL NNK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.108 177.584 -0.794 0.000 1.274 2 A CA 0.000 51.923 52.037 -0.191 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.034 0.000 0.831 3 K N -1.054 118.922 120.400 -0.707 0.000 3.290 3 K HA -0.134 4.225 4.320 0.065 0.000 0.269 3 K C -0.312 175.883 176.600 -0.675 0.000 1.170 3 K CA 1.321 57.240 56.287 -0.613 0.000 0.808 3 K CB -1.772 30.442 32.500 -0.477 0.000 1.304 3 K HN 0.818 nan 8.250 nan 0.000 0.481 4 W N -0.623 120.684 121.300 0.012 0.000 2.863 4 W HA 0.171 4.870 4.660 0.065 0.000 0.258 4 W C 0.926 177.516 176.519 0.119 0.000 1.298 4 W CA -0.097 57.291 57.345 0.070 0.000 1.451 4 W CB 0.694 30.183 29.460 0.049 0.000 1.107 4 W HN -0.038 nan 8.180 nan 0.000 0.641 5 V N 0.188 120.208 119.914 0.177 0.000 2.656 5 V HA 0.405 4.564 4.120 0.065 0.000 0.307 5 V C -1.345 174.764 176.094 0.024 0.000 1.051 5 V CA -1.222 61.175 62.300 0.162 0.000 0.893 5 V CB 1.731 33.607 31.823 0.089 0.000 0.999 5 V HN -0.179 nan 8.190 nan 0.000 0.426 6 Y N 2.419 122.754 120.300 0.059 0.000 2.477 6 Y HA 0.513 5.102 4.550 0.065 0.000 0.347 6 Y C 0.346 176.258 175.900 0.021 0.000 0.981 6 Y CA -0.833 57.272 58.100 0.008 0.000 1.033 6 Y CB 2.231 40.713 38.460 0.037 0.000 1.245 6 Y HN 0.498 nan 8.280 nan 0.000 0.455 7 K N 1.922 122.353 120.400 0.052 0.000 2.107 7 K HA 0.217 4.576 4.320 0.065 0.000 0.251 7 K C 0.145 176.875 176.600 0.217 0.000 1.012 7 K CA -0.530 55.707 56.287 -0.083 0.000 0.920 7 K CB 0.554 32.828 32.500 -0.376 0.000 1.033 7 K HN 0.509 nan 8.250 nan 0.000 0.478 8 F N 1.329 121.353 119.950 0.124 0.000 2.269 8 F HA -0.086 4.480 4.527 0.065 0.000 0.301 8 F C 1.512 177.368 175.800 0.093 0.000 1.082 8 F CA 1.135 59.205 58.000 0.116 0.000 1.360 8 F CB -0.571 38.511 39.000 0.136 0.000 1.041 8 F HN 0.570 nan 8.300 nan 0.000 0.512 9 E N 0.156 120.513 120.200 0.261 0.000 2.482 9 E HA -0.106 4.283 4.350 0.065 0.000 0.196 9 E C 0.371 177.043 176.600 0.120 0.000 1.047 9 E CA 0.429 56.931 56.400 0.171 0.000 0.869 9 E CB -0.492 29.293 29.700 0.140 0.000 0.836 9 E HN 0.519 nan 8.360 nan 0.000 0.520 10 E N 0.036 120.322 120.200 0.143 0.000 3.351 10 E HA 0.500 4.889 4.350 0.065 0.000 0.220 10 E C 0.287 177.005 176.600 0.196 0.000 1.150 10 E CA -0.542 55.949 56.400 0.152 0.000 1.359 10 E CB 0.700 30.481 29.700 0.135 0.000 1.365 10 E HN 0.105 nan 8.360 nan 0.000 0.434 11 G N 1.491 110.356 108.800 0.108 0.000 2.664 11 G HA2 0.561 4.560 3.960 0.065 0.000 0.303 11 G HA3 0.561 4.560 3.960 0.065 0.000 0.303 11 G C -1.530 173.380 174.900 0.017 0.000 1.243 11 G CA -0.546 44.572 45.100 0.029 0.000 0.826 11 G HN 0.344 nan 8.290 nan 0.000 0.498 12 N N -3.065 115.630 118.700 -0.008 0.000 4.016 12 N HA 0.440 5.219 4.740 0.065 0.000 0.227 12 N C 0.636 176.149 175.510 0.004 0.000 1.337 12 N CA 0.185 53.241 53.050 0.010 0.000 0.817 12 N CB 0.717 39.208 38.487 0.005 0.000 1.469 12 N HN 1.235 nan 8.380 nan 0.000 0.448 13 A N 0.071 122.917 122.820 0.043 0.000 2.024 13 A HA -0.141 4.218 4.320 0.065 0.000 0.220 13 A C 1.932 179.515 177.584 -0.002 0.000 1.164 13 A CA 2.619 54.690 52.037 0.056 0.000 0.643 13 A CB -1.248 17.822 19.000 0.117 0.000 0.806 13 A HN 1.010 nan 8.150 nan 0.000 0.451 14 S N -0.354 115.332 115.700 -0.023 0.000 2.406 14 S HA -0.057 4.452 4.470 0.065 0.000 0.228 14 S C 1.588 176.139 174.600 -0.081 0.000 1.020 14 S CA 1.281 59.453 58.200 -0.048 0.000 0.965 14 S CB -0.571 62.603 63.200 -0.043 0.000 0.798 14 S HN 0.533 nan 8.310 nan 0.000 0.488 15 M N 1.031 120.570 119.600 -0.102 0.000 2.654 15 M HA 0.253 4.772 4.480 0.065 0.000 0.217 15 M C 1.895 178.099 176.300 -0.161 0.000 1.183 15 M CA -0.072 55.136 55.300 -0.153 0.000 0.991 15 M CB -0.323 32.141 32.600 -0.226 0.000 1.749 15 M HN 0.308 nan 8.290 nan 0.000 0.475 16 R N 2.258 122.682 120.500 -0.127 0.000 2.134 16 R HA -0.247 4.132 4.340 0.065 0.000 0.248 16 R C 2.203 178.391 176.300 -0.186 0.000 1.143 16 R CA 2.508 58.528 56.100 -0.134 0.000 0.957 16 R CB -0.399 29.834 30.300 -0.112 0.000 0.867 16 R HN 0.647 nan 8.270 nan 0.000 0.441 17 N N 0.425 118.995 118.700 -0.218 0.000 2.091 17 N HA -0.245 4.535 4.740 0.065 0.000 0.193 17 N C 1.763 177.137 175.510 -0.227 0.000 1.021 17 N CA 1.860 54.748 53.050 -0.271 0.000 0.862 17 N CB -0.446 37.900 38.487 -0.235 0.000 1.018 17 N HN 0.343 nan 8.380 nan 0.000 0.429 18 L N 0.132 121.234 121.223 -0.202 0.000 2.130 18 L HA 0.150 4.530 4.340 0.065 0.000 0.200 18 L C 2.228 178.997 176.870 -0.168 0.000 1.075 18 L CA 0.386 55.114 54.840 -0.188 0.000 0.768 18 L CB -0.212 41.684 42.059 -0.272 0.000 0.933 18 L HN 0.080 nan 8.230 nan 0.000 0.451 19 L N 0.394 121.496 121.223 -0.201 0.000 2.675 19 L HA 0.137 4.516 4.340 0.065 0.000 0.239 19 L C 0.895 177.709 176.870 -0.094 0.000 1.151 19 L CA -0.015 54.735 54.840 -0.151 0.000 0.905 19 L CB -1.237 40.716 42.059 -0.177 0.000 1.057 19 L HN 0.405 nan 8.230 nan 0.000 0.435 20 G N -0.201 108.536 108.800 -0.106 0.000 2.955 20 G HA2 -0.241 3.758 3.960 0.065 0.000 0.604 20 G HA3 -0.241 3.758 3.960 0.065 0.000 0.604 20 G C 0.857 175.716 174.900 -0.069 0.000 1.572 20 G CA -0.302 44.751 45.100 -0.077 0.000 1.016 20 G HN 0.352 nan 8.290 nan 0.000 0.569 21 G N 0.358 109.133 108.800 -0.042 0.000 2.480 21 G HA2 -0.177 3.823 3.960 0.065 0.000 0.216 21 G HA3 -0.177 3.823 3.960 0.065 0.000 0.216 21 G C 1.728 176.603 174.900 -0.042 0.000 1.200 21 G CA 1.678 46.759 45.100 -0.032 0.000 0.782 21 G HN 0.864 nan 8.290 nan 0.000 0.554 22 K N 0.364 120.743 120.400 -0.034 0.000 2.034 22 K HA -0.136 4.223 4.320 0.065 0.000 0.214 22 K C 2.753 179.292 176.600 -0.101 0.000 1.051 22 K CA 1.370 57.623 56.287 -0.058 0.000 0.931 22 K CB -0.853 31.624 32.500 -0.038 0.000 0.715 22 K HN 0.294 nan 8.250 nan 0.000 0.446 23 G N 1.776 110.525 108.800 -0.085 0.000 2.442 23 G HA2 -0.321 3.679 3.960 0.065 0.000 0.219 23 G HA3 -0.321 3.679 3.960 0.065 0.000 0.219 23 G C 1.984 176.810 174.900 -0.124 0.000 1.141 23 G CA 1.340 46.376 45.100 -0.107 0.000 0.763 23 G HN 0.553 nan 8.290 nan 0.000 0.554 24 C N -0.204 119.043 119.300 -0.088 0.000 2.450 24 C HA 0.104 4.603 4.460 0.065 0.000 0.279 24 C C 2.476 177.446 174.990 -0.033 0.000 1.335 24 C CA 0.548 59.528 59.018 -0.063 0.000 1.749 24 C CB -1.058 26.651 27.740 -0.052 0.000 1.963 24 C HN 0.271 nan 8.230 nan 0.000 0.501 25 N N 1.377 120.049 118.700 -0.047 0.000 2.142 25 N HA 0.033 4.812 4.740 0.065 0.000 0.186 25 N C 1.726 177.188 175.510 -0.080 0.000 1.023 25 N CA 1.083 54.120 53.050 -0.021 0.000 0.852 25 N CB -0.550 37.874 38.487 -0.105 0.000 0.998 25 N HN 0.578 nan 8.380 nan 0.000 0.424 26 L N 0.291 121.380 121.223 -0.224 0.000 2.083 26 L HA -0.135 4.244 4.340 0.065 0.000 0.209 26 L C 2.167 178.777 176.870 -0.433 0.000 1.083 26 L CA 1.129 55.693 54.840 -0.460 0.000 0.752 26 L CB -0.282 41.257 42.059 -0.866 0.000 0.899 26 L HN 0.143 nan 8.230 nan 0.000 0.433 27 A N -0.368 122.296 122.820 -0.260 0.000 1.854 27 A HA -0.232 4.127 4.320 0.065 0.000 0.214 27 A C 2.114 179.694 177.584 -0.005 0.000 1.192 27 A CA 1.498 53.496 52.037 -0.066 0.000 0.611 27 A CB -0.490 18.514 19.000 0.006 0.000 0.832 27 A HN 0.379 nan 8.150 nan 0.000 0.442 28 E N -0.043 120.165 120.200 0.013 0.000 2.097 28 E HA -0.223 4.166 4.350 0.065 0.000 0.196 28 E C 1.944 178.547 176.600 0.005 0.000 1.000 28 E CA 2.040 58.474 56.400 0.056 0.000 0.804 28 E CB -0.331 29.470 29.700 0.169 0.000 0.740 28 E HN 0.617 nan 8.360 nan 0.000 0.454 29 M N -0.574 119.039 119.600 0.022 0.000 2.319 29 M HA -0.094 4.425 4.480 0.065 0.000 0.265 29 M C 2.079 178.374 176.300 -0.008 0.000 1.068 29 M CA 1.467 56.759 55.300 -0.015 0.000 1.118 29 M CB -0.080 32.524 32.600 0.006 0.000 1.395 29 M HN 0.124 nan 8.290 nan 0.000 0.435 30 T N 1.066 115.635 114.554 0.024 0.000 2.708 30 T HA -0.114 4.275 4.350 0.065 0.000 0.266 30 T C 1.655 176.397 174.700 0.070 0.000 1.037 30 T CA 1.171 63.328 62.100 0.095 0.000 1.146 30 T CB -0.142 68.839 68.868 0.189 0.000 0.865 30 T HN 0.131 nan 8.240 nan 0.000 0.435 31 I N 1.009 121.604 120.570 0.042 0.000 2.361 31 I HA -0.034 4.176 4.170 0.065 0.000 0.251 31 I C 2.091 178.194 176.117 -0.023 0.000 1.133 31 I CA 0.786 62.099 61.300 0.021 0.000 1.413 31 I CB -0.644 37.368 38.000 0.019 0.000 1.073 31 I HN 0.240 nan 8.210 nan 0.000 0.424 32 L N -0.197 120.979 121.223 -0.079 0.000 2.141 32 L HA -0.017 4.363 4.340 0.065 0.000 0.209 32 L C 1.597 178.424 176.870 -0.072 0.000 1.094 32 L CA 1.070 55.828 54.840 -0.138 0.000 0.763 32 L CB -0.632 41.266 42.059 -0.268 0.000 0.908 32 L HN 0.511 nan 8.230 nan 0.000 0.437 33 G N -0.741 108.044 108.800 -0.025 0.000 2.135 33 G HA2 -0.198 3.801 3.960 0.065 0.000 0.183 33 G HA3 -0.198 3.801 3.960 0.065 0.000 0.183 33 G C 0.168 175.074 174.900 0.010 0.000 1.004 33 G CA -0.397 44.706 45.100 0.006 0.000 0.677 33 G HN 0.074 nan 8.290 nan 0.000 0.512 34 M N 0.866 120.468 119.600 0.003 0.000 2.288 34 M HA 0.312 4.832 4.480 0.065 0.000 0.334 34 M C -1.962 174.410 176.300 0.120 0.000 1.150 34 M CA -1.750 53.560 55.300 0.016 0.000 1.118 34 M CB 0.491 33.056 32.600 -0.057 0.000 1.501 34 M HN -0.025 nan 8.290 nan 0.000 0.462 35 P HA 0.162 nan 4.420 nan 0.000 0.266 35 P C -1.008 176.542 177.300 0.416 0.000 1.419 35 P CA 0.270 63.539 63.100 0.282 0.000 1.112 35 P CB -0.854 30.986 31.700 0.234 0.000 1.438 36 I N 1.178 121.945 120.570 0.328 0.000 2.545 36 I HA 0.622 4.831 4.170 0.065 0.000 0.292 36 I C -2.765 173.467 176.117 0.192 0.000 1.040 36 I CA -3.531 57.937 61.300 0.280 0.000 1.068 36 I CB 2.832 40.968 38.000 0.227 0.000 1.251 36 I HN -0.099 nan 8.210 nan 0.000 0.424 37 P HA 0.091 nan 4.420 nan 0.000 0.267 37 P C -0.623 176.745 177.300 0.114 0.000 1.209 37 P CA 0.060 63.138 63.100 -0.037 0.000 0.763 37 P CB 0.570 32.173 31.700 -0.161 0.000 0.816 38 Q N 1.421 121.254 119.800 0.056 0.000 2.540 38 Q HA 0.454 4.833 4.340 0.065 0.000 0.256 38 Q C 0.929 176.809 176.000 -0.200 0.000 1.084 38 Q CA 0.861 56.691 55.803 0.046 0.000 0.956 38 Q CB 0.371 29.110 28.738 0.002 0.000 1.303 38 Q HN 0.785 nan 8.270 nan 0.000 0.509 39 G N -0.126 108.329 108.800 -0.575 0.000 2.342 39 G HA2 0.475 4.474 3.960 0.065 0.000 0.297 39 G HA3 0.475 4.474 3.960 0.065 0.000 0.297 39 G C -1.888 172.450 174.900 -0.937 0.000 1.313 39 G CA -0.652 43.983 45.100 -0.775 0.000 0.830 39 G HN 0.432 nan 8.290 nan 0.000 0.506 40 F N -1.167 118.484 119.950 -0.497 0.000 2.588 40 F HA 0.884 5.451 4.527 0.065 0.000 0.314 40 F C -0.260 175.589 175.800 0.082 0.000 1.069 40 F CA -1.334 56.557 58.000 -0.183 0.000 0.931 40 F CB 1.795 40.761 39.000 -0.057 0.000 1.260 40 F HN 0.434 nan 8.300 nan 0.000 0.465 41 T N 1.873 116.627 114.554 0.333 0.000 2.829 41 T HA 0.567 4.956 4.350 0.065 0.000 0.280 41 T C -0.840 174.053 174.700 0.322 0.000 0.999 41 T CA -0.664 61.605 62.100 0.281 0.000 0.983 41 T CB 1.839 70.867 68.868 0.267 0.000 0.968 41 T HN 0.568 nan 8.240 nan 0.000 0.446 42 V N 4.129 124.207 119.914 0.274 0.000 2.348 42 V HA 0.223 4.382 4.120 0.065 0.000 0.270 42 V C 0.834 177.096 176.094 0.281 0.000 1.037 42 V CA -0.651 61.834 62.300 0.307 0.000 0.872 42 V CB 0.751 32.750 31.823 0.292 0.000 1.002 42 V HN 1.061 nan 8.190 nan 0.000 0.464 43 T N 3.880 118.594 114.554 0.268 0.000 2.923 43 T HA -0.082 4.308 4.350 0.065 0.000 0.320 43 T C 1.718 176.492 174.700 0.122 0.000 1.074 43 T CA 0.870 63.073 62.100 0.171 0.000 1.131 43 T CB 0.407 69.371 68.868 0.160 0.000 1.058 43 T HN 1.022 nan 8.240 nan 0.000 0.535 44 T N 0.002 114.564 114.554 0.014 0.000 2.788 44 T HA -0.190 4.199 4.350 0.065 0.000 0.268 44 T C 1.701 176.350 174.700 -0.086 0.000 1.044 44 T CA 1.397 63.451 62.100 -0.077 0.000 1.139 44 T CB -0.414 68.373 68.868 -0.135 0.000 0.867 44 T HN 0.865 nan 8.240 nan 0.000 0.454 45 E N 1.832 122.027 120.200 -0.007 0.000 2.338 45 E HA 0.079 4.468 4.350 0.065 0.000 0.197 45 E C 2.169 178.868 176.600 0.165 0.000 1.007 45 E CA 0.766 57.200 56.400 0.056 0.000 0.849 45 E CB -0.387 29.343 29.700 0.050 0.000 0.774 45 E HN 0.669 nan 8.360 nan 0.000 0.506 46 A N 0.822 123.743 122.820 0.167 0.000 2.021 46 A HA 0.002 4.361 4.320 0.065 0.000 0.216 46 A C 2.278 179.633 177.584 -0.382 0.000 1.163 46 A CA 0.617 52.760 52.037 0.176 0.000 0.676 46 A CB -0.725 18.509 19.000 0.389 0.000 0.818 46 A HN 0.513 nan 8.150 nan 0.000 0.453 47 C N -0.999 117.943 119.300 -0.597 0.000 2.442 47 C HA -0.092 4.407 4.460 0.065 0.000 0.279 47 C C 2.898 177.718 174.990 -0.284 0.000 1.237 47 C CA 2.098 60.536 59.018 -0.967 0.000 1.722 47 C CB -1.264 26.139 27.740 -0.562 0.000 2.056 47 C HN 0.579 nan 8.230 nan 0.000 0.469 48 T N 0.416 114.905 114.554 -0.109 0.000 2.597 48 T HA -0.240 4.149 4.350 0.065 0.000 0.267 48 T C 1.619 176.374 174.700 0.092 0.000 1.053 48 T CA 2.301 64.439 62.100 0.064 0.000 1.165 48 T CB -0.564 68.339 68.868 0.058 0.000 0.863 48 T HN 0.716 nan 8.240 nan 0.000 0.427 49 E N 0.329 120.560 120.200 0.051 0.000 2.065 49 E HA -0.216 4.173 4.350 0.065 0.000 0.201 49 E C 1.854 178.436 176.600 -0.030 0.000 1.016 49 E CA 1.737 58.150 56.400 0.020 0.000 0.818 49 E CB -0.767 28.941 29.700 0.012 0.000 0.749 49 E HN 0.685 nan 8.360 nan 0.000 0.453 50 Y N -0.325 119.824 120.300 -0.251 0.000 2.081 50 Y HA -0.319 4.270 4.550 0.065 0.000 0.280 50 Y C 2.055 177.835 175.900 -0.200 0.000 1.163 50 Y CA 2.377 60.323 58.100 -0.257 0.000 1.135 50 Y CB -0.855 37.362 38.460 -0.405 0.000 0.970 50 Y HN 0.159 nan 8.280 nan 0.000 0.498 51 Y N 0.704 121.021 120.300 0.029 0.000 2.165 51 Y HA -0.249 4.341 4.550 0.066 0.000 0.286 51 Y C 2.421 178.290 175.900 -0.052 0.000 1.155 51 Y CA 2.239 60.334 58.100 -0.009 0.000 1.164 51 Y CB -0.812 37.731 38.460 0.138 0.000 0.978 51 Y HN 0.318 nan 8.280 nan 0.000 0.513 52 N N -0.952 117.819 118.700 0.119 0.000 2.135 52 N HA -0.118 4.661 4.740 0.065 0.000 0.186 52 N C 0.933 176.436 175.510 -0.013 0.000 1.027 52 N CA 1.046 54.134 53.050 0.063 0.000 0.849 52 N CB -0.232 38.293 38.487 0.063 0.000 1.002 52 N HN 0.036 nan 8.380 nan 0.000 0.425 53 S N 0.718 116.381 115.700 -0.062 0.000 3.120 53 S HA 0.118 4.627 4.470 0.065 0.000 0.259 53 S C 0.853 175.357 174.600 -0.161 0.000 1.191 53 S CA 0.080 58.218 58.200 -0.103 0.000 1.257 53 S CB -0.668 62.461 63.200 -0.118 0.000 0.964 53 S HN 0.547 nan 8.310 nan 0.000 0.473 54 G N 2.850 111.566 108.800 -0.140 0.000 2.395 54 G HA2 -0.356 3.643 3.960 0.065 0.000 0.300 54 G HA3 -0.356 3.643 3.960 0.065 0.000 0.300 54 G C 0.076 174.791 174.900 -0.309 0.000 0.998 54 G CA 0.329 45.332 45.100 -0.161 0.000 1.046 54 G HN 0.627 nan 8.290 nan 0.000 0.513 55 K N -1.706 118.329 120.400 -0.608 0.000 3.419 55 K HA -0.213 4.146 4.320 0.065 0.000 0.272 55 K C 0.159 176.300 176.600 -0.766 0.000 0.973 55 K CA 1.404 56.969 56.287 -1.205 0.000 0.749 55 K CB -1.081 30.937 32.500 -0.803 0.000 1.403 55 K HN 0.767 nan 8.250 nan 0.000 0.456 56 Q N 0.357 119.836 119.800 -0.535 0.000 2.289 56 Q HA 0.437 4.816 4.340 0.065 0.000 0.270 56 Q C -0.565 175.452 176.000 0.029 0.000 1.038 56 Q CA -0.774 54.945 55.803 -0.140 0.000 0.812 56 Q CB 1.934 30.602 28.738 -0.117 0.000 1.300 56 Q HN 0.275 nan 8.270 nan 0.000 0.427 57 I N 3.008 123.670 120.570 0.154 0.000 2.347 57 I HA 0.082 4.291 4.170 0.065 0.000 0.294 57 I C 1.026 177.130 176.117 -0.022 0.000 1.090 57 I CA -0.180 61.194 61.300 0.122 0.000 1.314 57 I CB 0.438 38.509 38.000 0.118 0.000 1.423 57 I HN 0.622 nan 8.210 nan 0.000 0.503 58 T N 3.258 117.741 114.554 -0.118 0.000 2.855 58 T HA -0.014 4.375 4.350 0.065 0.000 0.314 58 T C 1.385 175.994 174.700 -0.153 0.000 1.077 58 T CA -0.554 61.443 62.100 -0.172 0.000 1.095 58 T CB 1.080 69.776 68.868 -0.288 0.000 0.987 58 T HN 0.666 nan 8.240 nan 0.000 0.546 59 Q N 1.731 121.468 119.800 -0.104 0.000 2.045 59 Q HA -0.289 4.090 4.340 0.065 0.000 0.206 59 Q C 1.923 177.876 176.000 -0.079 0.000 0.991 59 Q CA 2.305 58.075 55.803 -0.056 0.000 0.851 59 Q CB -0.948 27.774 28.738 -0.027 0.000 0.911 59 Q HN 0.967 nan 8.270 nan 0.000 0.418 60 E N 0.442 120.567 120.200 -0.126 0.000 2.147 60 E HA -0.181 4.208 4.350 0.065 0.000 0.199 60 E C 2.135 178.645 176.600 -0.150 0.000 1.005 60 E CA 1.457 57.795 56.400 -0.103 0.000 0.810 60 E CB -0.043 29.599 29.700 -0.097 0.000 0.736 60 E HN 0.495 nan 8.360 nan 0.000 0.460 61 I N 0.123 120.475 120.570 -0.364 0.000 2.185 61 I HA -0.241 3.969 4.170 0.065 0.000 0.235 61 I C 2.803 178.840 176.117 -0.133 0.000 1.069 61 I CA 0.652 61.796 61.300 -0.261 0.000 1.354 61 I CB -0.433 37.361 38.000 -0.343 0.000 1.093 61 I HN 0.148 nan 8.210 nan 0.000 0.411 62 Q N 0.986 120.680 119.800 -0.178 0.000 2.142 62 Q HA -0.314 4.065 4.340 0.065 0.000 0.213 62 Q C 1.708 177.513 176.000 -0.325 0.000 1.004 62 Q CA 2.548 58.174 55.803 -0.294 0.000 0.883 62 Q CB -0.309 28.330 28.738 -0.165 0.000 0.939 62 Q HN 0.463 nan 8.270 nan 0.000 0.413 63 D N 0.107 120.468 120.400 -0.065 0.000 2.095 63 D HA -0.181 4.498 4.640 0.065 0.000 0.192 63 D C 2.015 178.330 176.300 0.025 0.000 0.990 63 D CA 1.280 55.323 54.000 0.073 0.000 0.836 63 D CB -0.498 40.347 40.800 0.076 0.000 0.979 63 D HN 0.327 nan 8.370 nan 0.000 0.447 64 Q N -0.162 119.648 119.800 0.017 0.000 2.224 64 Q HA -0.212 4.167 4.340 0.065 0.000 0.213 64 Q C 2.437 178.394 176.000 -0.072 0.000 0.998 64 Q CA 1.012 56.829 55.803 0.022 0.000 0.895 64 Q CB -0.243 28.588 28.738 0.155 0.000 0.926 64 Q HN 0.437 nan 8.270 nan 0.000 0.417 65 I N -0.508 119.973 120.570 -0.148 0.000 2.193 65 I HA -0.244 3.965 4.170 0.065 0.000 0.240 65 I C 1.873 177.855 176.117 -0.225 0.000 1.084 65 I CA 0.824 61.978 61.300 -0.244 0.000 1.365 65 I CB -0.282 37.548 38.000 -0.284 0.000 1.064 65 I HN 0.100 nan 8.210 nan 0.000 0.410 66 F N 1.158 121.070 119.950 -0.063 0.000 2.154 66 F HA -0.257 4.309 4.527 0.066 0.000 0.301 66 F C 2.613 178.372 175.800 -0.070 0.000 1.087 66 F CA 1.364 59.346 58.000 -0.031 0.000 1.274 66 F CB -0.975 38.038 39.000 0.022 0.000 1.009 66 F HN 0.175 nan 8.300 nan 0.000 0.485 67 E N 0.548 120.812 120.200 0.108 0.000 2.038 67 E HA -0.226 4.163 4.350 0.065 0.000 0.195 67 E C 2.399 178.970 176.600 -0.049 0.000 1.000 67 E CA 1.303 57.722 56.400 0.031 0.000 0.803 67 E CB -0.305 29.398 29.700 0.005 0.000 0.750 67 E HN 0.276 nan 8.360 nan 0.000 0.448 68 A N 1.645 124.322 122.820 -0.239 0.000 1.917 68 A HA -0.209 4.150 4.320 0.065 0.000 0.219 68 A C 2.199 179.611 177.584 -0.286 0.000 1.182 68 A CA 1.589 53.367 52.037 -0.432 0.000 0.633 68 A CB -0.630 17.724 19.000 -1.076 0.000 0.819 68 A HN 0.318 nan 8.150 nan 0.000 0.448 69 I N 0.658 121.009 120.570 -0.364 0.000 2.194 69 I HA -0.237 3.972 4.170 0.065 0.000 0.246 69 I C 2.914 179.061 176.117 0.051 0.000 1.093 69 I CA 2.318 63.567 61.300 -0.086 0.000 1.355 69 I CB -1.740 36.292 38.000 0.054 0.000 1.046 69 I HN 0.611 nan 8.210 nan 0.000 0.413 70 T N -1.478 113.126 114.554 0.083 0.000 2.720 70 T HA -0.291 4.098 4.350 0.065 0.000 0.268 70 T C 1.816 176.586 174.700 0.117 0.000 1.037 70 T CA 1.454 63.611 62.100 0.095 0.000 1.144 70 T CB -0.909 68.009 68.868 0.084 0.000 0.864 70 T HN 0.488 nan 8.240 nan 0.000 0.444 71 W N 1.427 122.692 121.300 -0.058 0.000 2.350 71 W HA 0.065 4.764 4.660 0.065 0.000 0.289 71 W C 1.808 178.316 176.519 -0.019 0.000 1.215 71 W CA 0.682 58.000 57.345 -0.044 0.000 1.236 71 W CB -0.477 28.939 29.460 -0.074 0.000 1.130 71 W HN 0.276 nan 8.180 nan 0.000 0.541 72 L N 0.432 121.523 121.223 -0.220 0.000 1.988 72 L HA -0.202 4.177 4.340 0.065 0.000 0.207 72 L C 2.611 179.288 176.870 -0.322 0.000 1.071 72 L CA 2.055 56.606 54.840 -0.482 0.000 0.744 72 L CB -0.901 41.049 42.059 -0.182 0.000 0.893 72 L HN -0.015 nan 8.230 nan 0.000 0.433 73 E N 0.089 120.214 120.200 -0.125 0.000 2.065 73 E HA -0.326 4.063 4.350 0.065 0.000 0.201 73 E C 1.918 178.464 176.600 -0.090 0.000 1.016 73 E CA 2.016 58.382 56.400 -0.057 0.000 0.818 73 E CB -0.185 29.526 29.700 0.018 0.000 0.749 73 E HN 0.603 nan 8.360 nan 0.000 0.453 74 E N 0.850 120.996 120.200 -0.091 0.000 2.268 74 E HA -0.175 4.214 4.350 0.065 0.000 0.195 74 E C 2.137 178.651 176.600 -0.143 0.000 0.995 74 E CA 0.531 56.888 56.400 -0.073 0.000 0.836 74 E CB -0.093 29.600 29.700 -0.012 0.000 0.763 74 E HN 0.162 nan 8.360 nan 0.000 0.491 75 L N 2.383 123.418 121.223 -0.312 0.000 2.056 75 L HA -0.089 4.290 4.340 0.065 0.000 0.207 75 L C 0.685 177.425 176.870 -0.216 0.000 1.078 75 L CA 2.231 56.831 54.840 -0.400 0.000 0.749 75 L CB -0.912 40.603 42.059 -0.906 0.000 0.901 75 L HN 0.470 nan 8.230 nan 0.000 0.433 76 N N -2.563 116.029 118.700 -0.180 0.000 2.646 76 N HA 0.197 4.976 4.740 0.065 0.000 0.303 76 N C 1.003 176.485 175.510 -0.046 0.000 1.921 76 N CA 0.400 53.392 53.050 -0.097 0.000 0.872 76 N CB 0.805 39.230 38.487 -0.104 0.000 1.327 76 N HN 0.171 nan 8.380 nan 0.000 0.492 77 G N 1.421 110.199 108.800 -0.035 0.000 2.542 77 G HA2 -0.410 3.589 3.960 0.065 0.000 0.251 77 G HA3 -0.410 3.589 3.960 0.065 0.000 0.251 77 G C 0.025 174.925 174.900 -0.001 0.000 1.016 77 G CA 0.955 46.048 45.100 -0.011 0.000 0.646 77 G HN 0.541 nan 8.290 nan 0.000 0.553 78 K N 0.448 120.850 120.400 0.003 0.000 2.118 78 K HA 0.574 4.933 4.320 0.065 0.000 0.264 78 K C -0.221 176.395 176.600 0.026 0.000 1.000 78 K CA -0.691 55.609 56.287 0.023 0.000 0.929 78 K CB 1.619 34.147 32.500 0.046 0.000 1.021 78 K HN 0.084 nan 8.250 nan 0.000 0.463 79 K N 2.499 122.919 120.400 0.033 0.000 2.274 79 K HA 0.165 4.525 4.320 0.065 0.000 0.262 79 K C -0.945 175.699 176.600 0.073 0.000 0.961 79 K CA -0.789 55.524 56.287 0.044 0.000 0.833 79 K CB 0.685 33.190 32.500 0.008 0.000 1.102 79 K HN 0.489 nan 8.250 nan 0.000 0.436 80 F N 3.469 123.395 119.950 -0.041 0.000 2.474 80 F HA 0.087 4.654 4.527 0.065 0.000 0.375 80 F C 1.229 176.993 175.800 -0.060 0.000 1.090 80 F CA 1.522 59.498 58.000 -0.041 0.000 1.044 80 F CB -0.625 38.374 39.000 -0.002 0.000 1.018 80 F HN 0.899 nan 8.300 nan 0.000 0.560 81 G N 3.943 112.551 108.800 -0.320 0.000 2.143 81 G HA2 -0.305 3.694 3.960 0.065 0.000 0.248 81 G HA3 -0.305 3.694 3.960 0.065 0.000 0.248 81 G C 0.326 175.092 174.900 -0.224 0.000 0.991 81 G CA 0.161 45.024 45.100 -0.395 0.000 0.689 81 G HN 0.852 nan 8.290 nan 0.000 0.522 82 D N 0.148 120.470 120.400 -0.131 0.000 2.406 82 D HA 0.115 4.794 4.640 0.065 0.000 0.234 82 D C 2.002 178.243 176.300 -0.098 0.000 1.196 82 D CA 1.184 55.128 54.000 -0.093 0.000 0.881 82 D CB 0.630 41.401 40.800 -0.048 0.000 1.205 82 D HN 0.417 nan 8.370 nan 0.000 0.453 83 T N 0.037 114.541 114.554 -0.083 0.000 2.821 83 T HA -0.130 4.260 4.350 0.065 0.000 0.267 83 T C 1.377 176.036 174.700 -0.068 0.000 1.046 83 T CA 0.882 62.933 62.100 -0.083 0.000 1.139 83 T CB 0.112 68.938 68.868 -0.071 0.000 0.871 83 T HN 0.463 nan 8.240 nan 0.000 0.454 84 E N 0.274 120.447 120.200 -0.046 0.000 2.511 84 E HA 0.128 4.517 4.350 0.065 0.000 0.209 84 E C -0.378 176.223 176.600 0.003 0.000 0.986 84 E CA 0.144 56.528 56.400 -0.028 0.000 0.974 84 E CB 0.558 30.241 29.700 -0.029 0.000 1.030 84 E HN 0.409 nan 8.360 nan 0.000 0.490 85 D N 0.764 121.165 120.400 0.002 0.000 3.118 85 D HA 0.153 4.832 4.640 0.065 0.000 0.286 85 D C -2.689 173.623 176.300 0.020 0.000 1.255 85 D CA -1.570 52.454 54.000 0.040 0.000 0.748 85 D CB 1.044 41.864 40.800 0.034 0.000 1.332 85 D HN -0.048 nan 8.370 nan 0.000 0.575 86 P HA 0.164 nan 4.420 nan 0.000 0.273 86 P C -0.447 176.845 177.300 -0.013 0.000 1.250 86 P CA -0.743 62.318 63.100 -0.065 0.000 0.793 86 P CB 1.058 32.652 31.700 -0.177 0.000 1.011 87 L N 1.004 122.269 121.223 0.069 0.000 2.282 87 L HA 0.382 4.761 4.340 0.065 0.000 0.288 87 L C -0.679 176.298 176.870 0.178 0.000 1.033 87 L CA -0.347 54.580 54.840 0.146 0.000 0.807 87 L CB 0.094 42.296 42.059 0.239 0.000 1.209 87 L HN 0.177 nan 8.230 nan 0.000 0.423 88 L N 6.396 127.649 121.223 0.049 0.000 2.313 88 L HA 0.693 5.072 4.340 0.065 0.000 0.283 88 L C -0.095 176.767 176.870 -0.014 0.000 1.013 88 L CA -0.959 53.881 54.840 0.001 0.000 0.816 88 L CB 1.562 43.567 42.059 -0.091 0.000 1.236 88 L HN 0.468 nan 8.230 nan 0.000 0.419 89 V N 0.069 119.949 119.914 -0.056 0.000 3.234 89 V HA 0.823 4.982 4.120 0.065 0.000 0.317 89 V C 0.205 176.242 176.094 -0.095 0.000 1.147 89 V CA -0.638 61.586 62.300 -0.127 0.000 1.037 89 V CB 1.810 33.504 31.823 -0.215 0.000 1.148 89 V HN 0.823 nan 8.190 nan 0.000 0.455 90 S N -0.155 115.474 115.700 -0.118 0.000 2.537 90 S HA 0.858 5.367 4.470 0.065 0.000 0.301 90 S C -0.772 173.781 174.600 -0.077 0.000 1.092 90 S CA -0.659 57.498 58.200 -0.072 0.000 1.048 90 S CB 1.507 64.659 63.200 -0.081 0.000 1.053 90 S HN 1.193 nan 8.310 nan 0.000 0.501 91 V N 2.637 122.535 119.914 -0.027 0.000 2.444 91 V HA 0.701 4.860 4.120 0.065 0.000 0.294 91 V C -0.449 175.626 176.094 -0.032 0.000 1.022 91 V CA -0.832 61.444 62.300 -0.041 0.000 0.850 91 V CB 1.054 32.873 31.823 -0.007 0.000 0.992 91 V HN 1.067 nan 8.190 nan 0.000 0.426 92 R N 2.142 122.617 120.500 -0.043 0.000 2.510 92 R HA 0.642 5.022 4.340 0.065 0.000 0.287 92 R C -0.356 175.932 176.300 -0.020 0.000 1.084 92 R CA -0.476 55.609 56.100 -0.025 0.000 0.934 92 R CB 1.570 31.860 30.300 -0.017 0.000 1.201 92 R HN 0.646 nan 8.270 nan 0.000 0.431 93 S N 1.764 117.458 115.700 -0.011 0.000 2.562 93 S HA 0.575 5.085 4.470 0.065 0.000 0.281 93 S C 0.192 174.809 174.600 0.027 0.000 1.333 93 S CA -0.251 57.954 58.200 0.009 0.000 1.052 93 S CB 1.423 64.641 63.200 0.029 0.000 0.884 93 S HN 0.891 nan 8.310 nan 0.000 0.506 94 A N 1.668 124.509 122.820 0.034 0.000 2.679 94 A HA 0.737 5.096 4.320 0.065 0.000 0.288 94 A C 0.140 177.745 177.584 0.036 0.000 1.160 94 A CA -0.402 51.656 52.037 0.035 0.000 0.763 94 A CB 0.369 19.377 19.000 0.014 0.000 1.270 94 A HN 1.447 nan 8.150 nan 0.000 0.417 95 A N 1.509 124.375 122.820 0.077 0.000 2.251 95 A HA 0.582 4.942 4.320 0.065 0.000 0.278 95 A C 1.384 179.016 177.584 0.080 0.000 1.206 95 A CA -0.086 52.007 52.037 0.093 0.000 0.822 95 A CB 0.175 19.323 19.000 0.246 0.000 1.187 95 A HN 0.870 nan 8.150 nan 0.000 0.504 96 R N -1.139 119.407 120.500 0.077 0.000 2.189 96 R HA 0.106 4.485 4.340 0.065 0.000 0.218 96 R C 0.219 176.535 176.300 0.026 0.000 1.074 96 R CA 1.129 57.177 56.100 -0.085 0.000 0.991 96 R CB -0.174 29.837 30.300 -0.481 0.000 0.883 96 R HN 0.728 nan 8.270 nan 0.000 0.457 97 A N 0.568 123.561 122.820 0.289 0.000 2.335 97 A HA 0.307 4.666 4.320 0.065 0.000 0.304 97 A C -0.460 177.276 177.584 0.255 0.000 1.118 97 A CA -0.510 51.724 52.037 0.329 0.000 0.757 97 A CB 1.441 20.811 19.000 0.616 0.000 1.188 97 A HN 0.199 nan 8.150 nan 0.000 0.460 98 S N 2.342 118.144 115.700 0.171 0.000 2.558 98 S HA 0.378 4.887 4.470 0.065 0.000 0.287 98 S C 0.122 174.833 174.600 0.186 0.000 1.321 98 S CA 0.852 59.140 58.200 0.147 0.000 1.048 98 S CB -0.379 62.887 63.200 0.111 0.000 0.844 98 S HN 1.321 nan 8.310 nan 0.000 0.512 99 M N 2.933 122.625 119.600 0.154 0.000 2.380 99 M HA 0.378 4.898 4.480 0.065 0.000 0.202 99 M C -3.031 173.292 176.300 0.038 0.000 0.975 99 M CA -1.571 53.832 55.300 0.172 0.000 0.971 99 M CB 1.422 34.121 32.600 0.166 0.000 2.685 99 M HN 0.258 nan 8.290 nan 0.000 0.431 100 P HA 0.032 nan 4.420 nan 0.000 0.263 100 P C 1.238 178.539 177.300 0.002 0.000 1.162 100 P CA 1.939 65.086 63.100 0.079 0.000 0.758 100 P CB 0.390 32.157 31.700 0.113 0.000 0.773 101 G N 2.518 111.327 108.800 0.014 0.000 2.200 101 G HA2 -0.292 3.707 3.960 0.065 0.000 0.267 101 G HA3 -0.292 3.707 3.960 0.065 0.000 0.267 101 G C 0.629 175.605 174.900 0.126 0.000 0.993 101 G CA 0.511 45.686 45.100 0.125 0.000 0.701 101 G HN 0.506 nan 8.290 nan 0.000 0.524 102 M N -1.068 118.506 119.600 -0.043 0.000 2.306 102 M HA 0.408 4.927 4.480 0.065 0.000 0.292 102 M C 0.614 176.891 176.300 -0.039 0.000 1.018 102 M CA 0.439 55.664 55.300 -0.125 0.000 1.007 102 M CB 0.062 32.399 32.600 -0.438 0.000 1.510 102 M HN 0.135 nan 8.290 nan 0.000 0.537 103 M N 1.791 121.394 119.600 0.004 0.000 2.238 103 M HA 0.313 4.832 4.480 0.065 0.000 0.350 103 M C -0.479 175.832 176.300 0.018 0.000 1.138 103 M CA -0.237 55.075 55.300 0.021 0.000 1.040 103 M CB 0.816 33.434 32.600 0.030 0.000 1.639 103 M HN 0.061 nan 8.290 nan 0.000 0.451 104 D N 2.186 122.593 120.400 0.012 0.000 2.312 104 D HA 0.220 4.899 4.640 0.065 0.000 0.252 104 D C -0.078 176.215 176.300 -0.011 0.000 1.150 104 D CA 0.251 54.247 54.000 -0.007 0.000 0.870 104 D CB 1.594 42.385 40.800 -0.015 0.000 1.153 104 D HN 0.454 nan 8.370 nan 0.000 0.457 105 T N 2.516 117.062 114.554 -0.013 0.000 2.928 105 T HA 0.492 4.881 4.350 0.065 0.000 0.296 105 T C -1.111 173.592 174.700 0.005 0.000 1.000 105 T CA -0.745 61.352 62.100 -0.005 0.000 0.989 105 T CB 0.640 69.506 68.868 -0.002 0.000 1.005 105 T HN 0.242 nan 8.240 nan 0.000 0.442 106 I N 6.298 126.887 120.570 0.031 0.000 2.478 106 I HA 0.442 4.651 4.170 0.065 0.000 0.287 106 I C -0.698 175.488 176.117 0.115 0.000 1.042 106 I CA -0.850 60.508 61.300 0.097 0.000 1.067 106 I CB 1.749 39.843 38.000 0.156 0.000 1.233 106 I HN 0.547 nan 8.210 nan 0.000 0.431 107 L N 5.879 127.188 121.223 0.145 0.000 2.330 107 L HA 0.590 4.969 4.340 0.065 0.000 0.271 107 L C 0.298 177.277 176.870 0.182 0.000 1.013 107 L CA -0.785 54.113 54.840 0.096 0.000 0.816 107 L CB 1.167 43.259 42.059 0.054 0.000 1.287 107 L HN 0.595 nan 8.230 nan 0.000 0.435 108 N N 0.466 119.198 118.700 0.053 0.000 2.776 108 N HA -0.196 4.584 4.740 0.065 0.000 0.250 108 N C -0.565 174.756 175.510 -0.314 0.000 1.112 108 N CA 0.696 53.744 53.050 -0.005 0.000 0.733 108 N CB -1.436 37.119 38.487 0.113 0.000 1.097 108 N HN 0.627 nan 8.380 nan 0.000 0.558 109 L N -0.612 120.484 121.223 -0.212 0.000 2.325 109 L HA 0.551 4.930 4.340 0.065 0.000 0.284 109 L C 1.044 177.834 176.870 -0.133 0.000 1.089 109 L CA 0.684 55.281 54.840 -0.405 0.000 0.836 109 L CB 0.176 42.367 42.059 0.220 0.000 1.184 109 L HN 0.344 nan 8.230 nan 0.000 0.444 110 G N 4.579 113.177 108.800 -0.337 0.000 2.731 110 G HA2 -0.039 3.960 3.960 0.065 0.000 0.219 110 G HA3 -0.039 3.960 3.960 0.065 0.000 0.219 110 G C -0.590 174.115 174.900 -0.327 0.000 0.989 110 G CA -0.592 44.442 45.100 -0.109 0.000 0.871 110 G HN 0.506 nan 8.290 nan 0.000 0.591 111 L N 1.113 122.058 121.223 -0.464 0.000 2.325 111 L HA 0.714 5.093 4.340 0.065 0.000 0.278 111 L C 0.131 177.009 176.870 0.013 0.000 1.023 111 L CA -0.791 53.888 54.840 -0.269 0.000 0.811 111 L CB 1.919 43.885 42.059 -0.156 0.000 1.249 111 L HN 0.581 nan 8.230 nan 0.000 0.431 112 N N -1.151 117.556 118.700 0.013 0.000 3.046 112 N HA 0.157 4.936 4.740 0.065 0.000 0.243 112 N C -0.217 175.152 175.510 -0.236 0.000 1.452 112 N CA -0.728 52.385 53.050 0.105 0.000 0.882 112 N CB 0.694 39.197 38.487 0.026 0.000 1.425 112 N HN 0.268 nan 8.380 nan 0.000 0.517 113 D N -0.642 119.674 120.400 -0.139 0.000 2.315 113 D HA -0.165 4.514 4.640 0.065 0.000 0.198 113 D C 1.239 177.419 176.300 -0.200 0.000 1.010 113 D CA 1.355 55.247 54.000 -0.179 0.000 0.911 113 D CB 0.102 40.888 40.800 -0.023 0.000 0.897 113 D HN 0.365 nan 8.370 nan 0.000 0.455 114 V N -0.255 119.552 119.914 -0.179 0.000 2.743 114 V HA 0.107 4.266 4.120 0.065 0.000 0.237 114 V C 2.247 178.231 176.094 -0.184 0.000 1.113 114 V CA 0.952 63.163 62.300 -0.149 0.000 1.141 114 V CB -0.218 31.544 31.823 -0.102 0.000 0.873 114 V HN 0.152 nan 8.190 nan 0.000 0.486 115 A N -0.262 122.438 122.820 -0.201 0.000 2.024 115 A HA -0.184 4.175 4.320 0.065 0.000 0.220 115 A C 2.334 179.770 177.584 -0.247 0.000 1.164 115 A CA 1.874 53.790 52.037 -0.201 0.000 0.643 115 A CB -0.707 18.163 19.000 -0.216 0.000 0.806 115 A HN 0.317 nan 8.150 nan 0.000 0.451 116 V N -0.134 119.530 119.914 -0.417 0.000 2.688 116 V HA -0.211 3.948 4.120 0.065 0.000 0.256 116 V C 2.324 178.160 176.094 -0.430 0.000 1.084 116 V CA 2.437 64.408 62.300 -0.548 0.000 1.103 116 V CB -0.477 30.711 31.823 -1.057 0.000 0.688 116 V HN 0.573 nan 8.190 nan 0.000 0.480 117 E N -0.022 120.002 120.200 -0.293 0.000 2.057 117 E HA 0.007 4.397 4.350 0.065 0.000 0.190 117 E C 2.231 178.765 176.600 -0.110 0.000 0.969 117 E CA 1.155 57.449 56.400 -0.177 0.000 0.812 117 E CB -0.925 28.703 29.700 -0.119 0.000 0.777 117 E HN 0.599 nan 8.360 nan 0.000 0.455 118 G N 1.008 109.757 108.800 -0.086 0.000 2.469 118 G HA2 -0.285 3.714 3.960 0.065 0.000 0.220 118 G HA3 -0.285 3.714 3.960 0.065 0.000 0.220 118 G C 1.459 176.359 174.900 -0.000 0.000 1.136 118 G CA 0.690 45.763 45.100 -0.044 0.000 0.759 118 G HN 0.176 nan 8.290 nan 0.000 0.562 119 F N 2.343 122.172 119.950 -0.201 0.000 2.113 119 F HA 0.134 4.700 4.527 0.065 0.000 0.297 119 F C 2.797 178.473 175.800 -0.206 0.000 1.103 119 F CA 0.874 58.739 58.000 -0.226 0.000 1.248 119 F CB -0.591 38.212 39.000 -0.328 0.000 0.999 119 F HN 0.226 nan 8.300 nan 0.000 0.475 120 A N 0.255 122.949 122.820 -0.210 0.000 2.019 120 A HA -0.146 4.213 4.320 0.065 0.000 0.219 120 A C 2.215 179.705 177.584 -0.157 0.000 1.164 120 A CA 1.491 53.388 52.037 -0.234 0.000 0.644 120 A CB -0.450 18.441 19.000 -0.182 0.000 0.805 120 A HN 0.352 nan 8.150 nan 0.000 0.449 121 K N -0.359 119.973 120.400 -0.113 0.000 2.067 121 K HA 0.039 4.398 4.320 0.065 0.000 0.203 121 K C 1.067 177.615 176.600 -0.087 0.000 1.048 121 K CA 0.556 56.794 56.287 -0.082 0.000 0.954 121 K CB -0.286 32.181 32.500 -0.055 0.000 0.737 121 K HN 0.120 nan 8.250 nan 0.000 0.444 122 K N 1.176 121.526 120.400 -0.082 0.000 2.616 122 K HA 0.009 4.368 4.320 0.065 0.000 0.192 122 K C 0.969 177.498 176.600 -0.120 0.000 1.031 122 K CA 0.690 56.936 56.287 -0.068 0.000 1.004 122 K CB 0.030 32.522 32.500 -0.014 0.000 0.810 122 K HN 0.151 nan 8.250 nan 0.000 0.497 123 T N -2.380 112.069 114.554 -0.175 0.000 3.048 123 T HA 0.138 4.527 4.350 0.065 0.000 0.254 123 T C 0.864 175.483 174.700 -0.135 0.000 0.942 123 T CA 0.615 62.593 62.100 -0.203 0.000 0.931 123 T CB 0.539 69.168 68.868 -0.397 0.000 1.220 123 T HN 0.281 nan 8.240 nan 0.000 0.503 124 G N 2.435 111.168 108.800 -0.112 0.000 2.162 124 G HA2 -0.228 3.771 3.960 0.065 0.000 0.260 124 G HA3 -0.228 3.771 3.960 0.065 0.000 0.260 124 G C 0.030 174.893 174.900 -0.062 0.000 0.976 124 G CA 0.352 45.408 45.100 -0.074 0.000 0.655 124 G HN 0.538 nan 8.290 nan 0.000 0.533 125 N N 0.129 118.786 118.700 -0.071 0.000 2.623 125 N HA 0.496 5.275 4.740 0.065 0.000 0.256 125 N C -1.515 173.995 175.510 0.000 0.000 1.045 125 N CA -2.057 50.984 53.050 -0.015 0.000 0.863 125 N CB 1.989 40.477 38.487 0.001 0.000 1.182 125 N HN -0.037 nan 8.380 nan 0.000 0.523 126 P HA 0.003 nan 4.420 nan 0.000 0.217 126 P C 1.326 178.710 177.300 0.140 0.000 1.154 126 P CA 0.720 63.857 63.100 0.061 0.000 0.841 126 P CB 0.547 32.307 31.700 0.100 0.000 0.788 127 R N -1.109 119.472 120.500 0.135 0.000 2.127 127 R HA -0.171 4.208 4.340 0.065 0.000 0.238 127 R C 2.132 178.550 176.300 0.196 0.000 1.134 127 R CA 1.228 57.420 56.100 0.154 0.000 0.975 127 R CB -0.839 29.527 30.300 0.109 0.000 0.865 127 R HN 0.039 nan 8.270 nan 0.000 0.447 128 F N 0.925 120.872 119.950 -0.004 0.000 2.051 128 F HA -0.058 4.508 4.527 0.065 0.000 0.296 128 F C 2.067 177.868 175.800 0.002 0.000 1.122 128 F CA 1.417 59.399 58.000 -0.030 0.000 1.201 128 F CB -1.042 37.866 39.000 -0.154 0.000 0.978 128 F HN 0.071 nan 8.300 nan 0.000 0.472 129 A N -0.308 122.291 122.820 -0.369 0.000 1.865 129 A HA -0.242 4.117 4.320 0.065 0.000 0.217 129 A C 2.189 179.616 177.584 -0.262 0.000 1.191 129 A CA 1.964 53.732 52.037 -0.449 0.000 0.623 129 A CB -1.761 17.009 19.000 -0.384 0.000 0.826 129 A HN 0.549 nan 8.150 nan 0.000 0.444 130 Y N -0.063 120.214 120.300 -0.038 0.000 2.224 130 Y HA -0.196 4.393 4.550 0.065 0.000 0.289 130 Y C 2.300 178.235 175.900 0.058 0.000 1.146 130 Y CA 1.634 59.746 58.100 0.020 0.000 1.182 130 Y CB -0.612 37.843 38.460 -0.010 0.000 0.983 130 Y HN 0.575 nan 8.280 nan 0.000 0.524 131 D N -0.689 119.816 120.400 0.175 0.000 2.092 131 D HA -0.169 4.510 4.640 0.065 0.000 0.193 131 D C 2.078 178.467 176.300 0.149 0.000 0.994 131 D CA 2.013 56.107 54.000 0.157 0.000 0.828 131 D CB -0.108 40.806 40.800 0.190 0.000 0.963 131 D HN 0.188 nan 8.370 nan 0.000 0.450 132 S N -0.898 114.869 115.700 0.111 0.000 2.351 132 S HA -0.217 4.292 4.470 0.065 0.000 0.220 132 S C 1.796 176.488 174.600 0.153 0.000 1.035 132 S CA 1.181 59.464 58.200 0.139 0.000 1.031 132 S CB -0.974 62.274 63.200 0.082 0.000 0.928 132 S HN 0.418 nan 8.310 nan 0.000 0.433 133 Y N 3.452 123.737 120.300 -0.025 0.000 2.102 133 Y HA -0.293 4.296 4.550 0.066 0.000 0.280 133 Y C 2.741 178.675 175.900 0.056 0.000 1.178 133 Y CA 2.216 60.311 58.100 -0.008 0.000 1.146 133 Y CB -0.364 38.037 38.460 -0.099 0.000 0.968 133 Y HN 0.119 nan 8.280 nan 0.000 0.504 134 R N 0.994 121.539 120.500 0.076 0.000 2.096 134 R HA -0.169 4.210 4.340 0.065 0.000 0.235 134 R C 2.121 178.440 176.300 0.032 0.000 1.127 134 R CA 1.883 57.934 56.100 -0.081 0.000 0.968 134 R CB -0.585 29.614 30.300 -0.168 0.000 0.861 134 R HN 0.386 nan 8.270 nan 0.000 0.440 135 R N -0.481 120.070 120.500 0.086 0.000 2.081 135 R HA -0.120 4.259 4.340 0.065 0.000 0.235 135 R C 2.306 178.641 176.300 0.058 0.000 1.131 135 R CA 1.754 57.918 56.100 0.106 0.000 0.960 135 R CB -0.526 29.856 30.300 0.136 0.000 0.856 135 R HN 0.248 nan 8.270 nan 0.000 0.436 136 F N 1.391 121.304 119.950 -0.061 0.000 2.146 136 F HA -0.075 4.492 4.527 0.065 0.000 0.298 136 F C 1.916 177.686 175.800 -0.049 0.000 1.096 136 F CA 1.134 59.102 58.000 -0.054 0.000 1.275 136 F CB -0.162 38.787 39.000 -0.085 0.000 1.008 136 F HN -0.130 nan 8.300 nan 0.000 0.480 137 I N 0.290 120.578 120.570 -0.469 0.000 2.163 137 I HA -0.336 3.873 4.170 0.065 0.000 0.243 137 I C 2.664 178.628 176.117 -0.254 0.000 1.085 137 I CA 1.709 62.659 61.300 -0.582 0.000 1.347 137 I CB -0.652 36.994 38.000 -0.591 0.000 1.044 137 I HN 0.330 nan 8.210 nan 0.000 0.408 138 Q N 0.852 120.459 119.800 -0.323 0.000 1.967 138 Q HA -0.242 4.137 4.340 0.065 0.000 0.202 138 Q C 2.387 178.116 176.000 -0.451 0.000 0.985 138 Q CA 2.010 57.387 55.803 -0.709 0.000 0.839 138 Q CB -0.091 28.292 28.738 -0.591 0.000 0.906 138 Q HN 0.444 nan 8.270 nan 0.000 0.423 139 M N -0.414 119.027 119.600 -0.264 0.000 2.180 139 M HA -0.265 4.254 4.480 0.065 0.000 0.260 139 M C 2.251 178.459 176.300 -0.153 0.000 1.071 139 M CA 2.171 57.372 55.300 -0.166 0.000 1.096 139 M CB -1.110 31.452 32.600 -0.064 0.000 1.276 139 M HN 0.308 nan 8.290 nan 0.000 0.426 140 Y N 1.862 121.938 120.300 -0.373 0.000 2.062 140 Y HA -0.361 4.228 4.550 0.066 0.000 0.276 140 Y C 2.782 178.583 175.900 -0.165 0.000 1.189 140 Y CA 2.347 60.251 58.100 -0.328 0.000 1.130 140 Y CB -0.889 37.209 38.460 -0.603 0.000 0.959 140 Y HN 0.415 nan 8.280 nan 0.000 0.499 141 S N -0.877 114.934 115.700 0.184 0.000 2.515 141 S HA -0.152 4.357 4.470 0.065 0.000 0.231 141 S C 1.839 176.468 174.600 0.048 0.000 0.987 141 S CA 1.038 59.397 58.200 0.265 0.000 0.936 141 S CB -0.539 63.091 63.200 0.716 0.000 0.766 141 S HN 0.811 nan 8.310 nan 0.000 0.528 142 D N 1.194 121.566 120.400 -0.045 0.000 2.355 142 D HA -0.052 4.628 4.640 0.065 0.000 0.233 142 D C 1.976 178.214 176.300 -0.103 0.000 0.997 142 D CA 0.997 54.963 54.000 -0.057 0.000 0.920 142 D CB -0.132 40.624 40.800 -0.073 0.000 1.063 142 D HN 0.306 nan 8.370 nan 0.000 0.465 143 V N 1.500 121.335 119.914 -0.132 0.000 2.233 143 V HA -0.215 3.944 4.120 0.065 0.000 0.247 143 V C 2.783 178.759 176.094 -0.197 0.000 1.050 143 V CA 1.514 63.732 62.300 -0.136 0.000 1.010 143 V CB -0.530 31.219 31.823 -0.122 0.000 0.637 143 V HN 0.166 nan 8.190 nan 0.000 0.444 144 V N 0.049 119.746 119.914 -0.361 0.000 3.383 144 V HA -0.072 4.087 4.120 0.065 0.000 0.272 144 V C 1.184 177.101 176.094 -0.295 0.000 1.181 144 V CA 0.552 62.558 62.300 -0.490 0.000 1.171 144 V CB -1.396 29.719 31.823 -1.180 0.000 0.800 144 V HN 0.745 nan 8.190 nan 0.000 0.515 145 M N 1.623 121.107 119.600 -0.192 0.000 4.028 145 M HA -0.239 4.280 4.480 0.065 0.000 0.157 145 M C 0.539 176.780 176.300 -0.099 0.000 1.530 145 M CA 0.638 55.874 55.300 -0.107 0.000 1.091 145 M CB -0.381 32.174 32.600 -0.074 0.000 1.345 145 M HN 0.424 nan 8.290 nan 0.000 0.212 146 E N 2.836 122.982 120.200 -0.091 0.000 2.444 146 E HA 0.414 4.803 4.350 0.065 0.000 0.203 146 E C 0.272 176.791 176.600 -0.135 0.000 0.847 146 E CA 0.645 56.948 56.400 -0.162 0.000 1.142 146 E CB 0.567 30.048 29.700 -0.366 0.000 1.125 146 E HN 0.552 nan 8.360 nan 0.000 0.521 147 V N 1.906 121.775 119.914 -0.075 0.000 3.160 147 V HA 0.563 4.723 4.120 0.065 0.000 0.310 147 V C -2.873 173.187 176.094 -0.056 0.000 1.181 147 V CA -2.577 59.666 62.300 -0.095 0.000 1.047 147 V CB 3.052 34.819 31.823 -0.094 0.000 1.068 147 V HN -0.056 nan 8.190 nan 0.000 0.441 148 P HA 0.398 nan 4.420 nan 0.000 0.298 148 P C -0.573 176.632 177.300 -0.158 0.000 1.341 148 P CA -0.721 62.278 63.100 -0.168 0.000 0.988 148 P CB 1.723 33.312 31.700 -0.185 0.000 1.265 149 K N 0.838 121.249 120.400 0.018 0.000 2.520 149 K HA -0.121 4.239 4.320 0.065 0.000 0.198 149 K C 1.172 177.768 176.600 -0.007 0.000 1.045 149 K CA 1.334 57.677 56.287 0.093 0.000 0.934 149 K CB -0.255 32.261 32.500 0.025 0.000 0.766 149 K HN 0.284 nan 8.250 nan 0.000 0.483 150 S N 0.751 116.370 115.700 -0.136 0.000 2.344 150 S HA -0.133 4.376 4.470 0.065 0.000 0.217 150 S C 0.647 175.219 174.600 -0.048 0.000 1.033 150 S CA 1.127 59.303 58.200 -0.040 0.000 1.017 150 S CB -0.429 62.833 63.200 0.103 0.000 0.941 150 S HN 0.556 nan 8.310 nan 0.000 0.430 151 H N -0.240 118.646 119.070 -0.306 0.000 2.855 151 H HA 0.526 5.122 4.556 0.065 0.000 0.238 151 H C -0.495 174.255 175.328 -0.964 0.000 1.847 151 H CA -0.413 55.352 56.048 -0.471 0.000 1.368 151 H CB -0.549 28.961 29.762 -0.419 0.000 1.758 151 H HN 0.290 nan 8.280 nan 0.000 0.546 152 F N -0.008 119.832 119.950 -0.184 0.000 1.731 152 F HA -0.000 4.566 4.527 0.065 0.000 0.250 152 F C 1.914 177.632 175.800 -0.135 0.000 1.219 152 F CA -0.259 57.469 58.000 -0.453 0.000 1.314 152 F CB 0.162 38.795 39.000 -0.611 0.000 1.890 152 F HN 0.192 nan 8.300 nan 0.000 0.277 153 E N 1.735 122.026 120.200 0.152 0.000 2.204 153 E HA -0.202 4.187 4.350 0.065 0.000 0.195 153 E C 1.823 178.493 176.600 0.117 0.000 0.990 153 E CA 1.504 57.985 56.400 0.135 0.000 0.821 153 E CB -0.237 29.514 29.700 0.086 0.000 0.750 153 E HN 0.522 nan 8.360 nan 0.000 0.477 154 K N 0.431 120.881 120.400 0.082 0.000 2.365 154 K HA -0.040 4.320 4.320 0.065 0.000 0.199 154 K C 1.853 178.520 176.600 0.113 0.000 1.045 154 K CA 0.799 57.130 56.287 0.073 0.000 0.962 154 K CB 0.028 32.552 32.500 0.041 0.000 0.759 154 K HN 0.090 nan 8.250 nan 0.000 0.469 155 I N 0.846 121.528 120.570 0.187 0.000 2.512 155 I HA -0.052 4.157 4.170 0.065 0.000 0.247 155 I C 2.393 178.685 176.117 0.291 0.000 1.094 155 I CA 0.235 61.699 61.300 0.275 0.000 1.427 155 I CB -0.095 38.169 38.000 0.441 0.000 1.149 155 I HN 0.087 nan 8.210 nan 0.000 0.438 156 I N 1.000 121.800 120.570 0.382 0.000 2.530 156 I HA -0.311 3.898 4.170 0.065 0.000 0.257 156 I C 1.914 178.135 176.117 0.174 0.000 1.179 156 I CA 1.629 63.091 61.300 0.269 0.000 1.440 156 I CB -0.138 38.048 38.000 0.311 0.000 1.087 156 I HN 0.254 nan 8.210 nan 0.000 0.440 157 D N 1.113 121.607 120.400 0.157 0.000 2.077 157 D HA -0.117 4.562 4.640 0.065 0.000 0.196 157 D C 2.281 178.642 176.300 0.103 0.000 0.986 157 D CA 1.664 55.729 54.000 0.108 0.000 0.829 157 D CB -0.183 40.664 40.800 0.079 0.000 0.983 157 D HN 0.475 nan 8.370 nan 0.000 0.453 158 A N 1.235 124.115 122.820 0.099 0.000 1.859 158 A HA -0.251 4.108 4.320 0.065 0.000 0.217 158 A C 2.323 179.960 177.584 0.089 0.000 1.198 158 A CA 2.356 54.444 52.037 0.085 0.000 0.629 158 A CB -0.959 18.089 19.000 0.080 0.000 0.830 158 A HN 0.327 nan 8.150 nan 0.000 0.446 159 M N -0.720 118.936 119.600 0.094 0.000 2.192 159 M HA -0.257 4.262 4.480 0.065 0.000 0.259 159 M C 1.899 178.245 176.300 0.078 0.000 1.071 159 M CA 2.128 57.473 55.300 0.075 0.000 1.082 159 M CB -0.198 32.443 32.600 0.070 0.000 1.373 159 M HN 0.387 nan 8.290 nan 0.000 0.408 160 K N -0.594 119.874 120.400 0.113 0.000 2.103 160 K HA -0.133 4.226 4.320 0.065 0.000 0.204 160 K C 1.782 178.485 176.600 0.171 0.000 1.052 160 K CA 1.403 57.778 56.287 0.147 0.000 0.945 160 K CB -0.026 32.604 32.500 0.216 0.000 0.722 160 K HN 0.402 nan 8.250 nan 0.000 0.443 161 E N 0.903 121.217 120.200 0.190 0.000 2.076 161 E HA -0.118 4.271 4.350 0.065 0.000 0.190 161 E C 1.903 178.565 176.600 0.102 0.000 0.979 161 E CA 0.626 57.154 56.400 0.213 0.000 0.807 161 E CB 0.120 29.913 29.700 0.155 0.000 0.761 161 E HN 0.170 nan 8.360 nan 0.000 0.454 162 E N 0.834 121.076 120.200 0.070 0.000 2.118 162 E HA -0.250 4.139 4.350 0.065 0.000 0.195 162 E C 1.423 178.034 176.600 0.018 0.000 0.992 162 E CA 1.124 57.549 56.400 0.041 0.000 0.804 162 E CB 0.090 29.813 29.700 0.037 0.000 0.741 162 E HN -0.041 nan 8.360 nan 0.000 0.458 163 K N -1.285 119.119 120.400 0.007 0.000 2.404 163 K HA 0.054 4.413 4.320 0.065 0.000 0.194 163 K C 1.152 177.707 176.600 -0.076 0.000 1.023 163 K CA 0.758 57.032 56.287 -0.023 0.000 1.094 163 K CB 0.156 32.647 32.500 -0.016 0.000 0.841 163 K HN 0.294 nan 8.250 nan 0.000 0.523 164 G N 0.327 109.066 108.800 -0.102 0.000 2.587 164 G HA2 -0.336 3.663 3.960 0.065 0.000 0.246 164 G HA3 -0.336 3.663 3.960 0.065 0.000 0.246 164 G C 0.245 174.769 174.900 -0.626 0.000 1.058 164 G CA 0.661 45.611 45.100 -0.251 0.000 0.658 164 G HN 0.289 nan 8.290 nan 0.000 0.538 165 V N 1.565 121.279 119.914 -0.333 0.000 2.585 165 V HA 0.399 4.558 4.120 0.065 0.000 0.296 165 V C 1.421 177.359 176.094 -0.260 0.000 1.035 165 V CA 1.055 63.211 62.300 -0.240 0.000 1.084 165 V CB 0.758 32.547 31.823 -0.058 0.000 0.953 165 V HN 0.511 nan 8.190 nan 0.000 0.483 166 H N 5.112 124.250 119.070 0.114 0.000 2.586 166 H HA 0.316 4.911 4.556 0.065 0.000 0.273 166 H C -0.550 174.738 175.328 -0.067 0.000 0.997 166 H CA -0.149 55.902 56.048 0.005 0.000 1.177 166 H CB 0.286 29.991 29.762 -0.096 0.000 1.471 166 H HN 0.530 nan 8.280 nan 0.000 0.538 167 F N 0.480 120.498 119.950 0.112 0.000 2.508 167 F HA 0.161 4.727 4.527 0.065 0.000 0.325 167 F C 0.661 176.506 175.800 0.074 0.000 1.090 167 F CA -1.281 56.771 58.000 0.087 0.000 0.945 167 F CB 1.629 40.666 39.000 0.061 0.000 1.156 167 F HN -0.042 nan 8.300 nan 0.000 0.463 168 D N -0.507 120.045 120.400 0.253 0.000 2.221 168 D HA -0.149 4.530 4.640 0.065 0.000 0.204 168 D C 1.997 178.397 176.300 0.167 0.000 0.982 168 D CA 1.360 55.467 54.000 0.178 0.000 0.857 168 D CB -0.528 40.366 40.800 0.156 0.000 0.934 168 D HN 0.505 nan 8.370 nan 0.000 0.475 169 T N -0.183 114.492 114.554 0.203 0.000 3.163 169 T HA -0.074 4.316 4.350 0.065 0.000 0.260 169 T C 0.789 175.545 174.700 0.093 0.000 1.156 169 T CA 0.545 62.724 62.100 0.130 0.000 1.072 169 T CB -0.046 68.886 68.868 0.106 0.000 0.937 169 T HN -0.045 nan 8.240 nan 0.000 0.528 170 D N 0.394 120.879 120.400 0.143 0.000 2.367 170 D HA 0.199 4.878 4.640 0.065 0.000 0.207 170 D C 0.690 177.032 176.300 0.070 0.000 1.034 170 D CA 0.095 54.157 54.000 0.103 0.000 0.861 170 D CB 0.169 41.068 40.800 0.165 0.000 0.943 170 D HN 0.452 nan 8.370 nan 0.000 0.515 171 L N 0.448 121.716 121.223 0.076 0.000 2.466 171 L HA 0.250 4.629 4.340 0.065 0.000 0.257 171 L C 1.247 178.139 176.870 0.036 0.000 1.189 171 L CA -0.292 54.577 54.840 0.047 0.000 0.813 171 L CB 0.401 42.485 42.059 0.041 0.000 1.118 171 L HN -0.114 nan 8.230 nan 0.000 0.471 172 T N -1.945 112.618 114.554 0.016 0.000 2.922 172 T HA 0.496 4.885 4.350 0.065 0.000 0.281 172 T C 1.019 175.728 174.700 0.015 0.000 1.005 172 T CA -0.132 61.977 62.100 0.015 0.000 0.982 172 T CB 1.592 70.460 68.868 -0.001 0.000 1.158 172 T HN 0.635 nan 8.240 nan 0.000 0.566 173 A N 0.243 123.080 122.820 0.029 0.000 2.194 173 A HA -0.052 4.307 4.320 0.065 0.000 0.220 173 A C 1.869 179.414 177.584 -0.064 0.000 1.162 173 A CA 1.694 53.765 52.037 0.055 0.000 0.674 173 A CB -1.021 18.027 19.000 0.079 0.000 0.789 173 A HN 0.908 nan 8.150 nan 0.000 0.470 174 D N -0.104 120.247 120.400 -0.082 0.000 2.297 174 D HA -0.091 4.588 4.640 0.065 0.000 0.233 174 D C 0.962 177.170 176.300 -0.154 0.000 1.056 174 D CA 1.041 54.961 54.000 -0.135 0.000 0.938 174 D CB -0.268 40.483 40.800 -0.082 0.000 1.048 174 D HN 0.331 nan 8.370 nan 0.000 0.442 175 D N 1.222 121.570 120.400 -0.088 0.000 2.254 175 D HA -0.167 4.512 4.640 0.065 0.000 0.201 175 D C 2.216 178.456 176.300 -0.100 0.000 0.998 175 D CA 0.536 54.492 54.000 -0.073 0.000 0.885 175 D CB -0.263 40.519 40.800 -0.031 0.000 0.915 175 D HN 0.271 nan 8.370 nan 0.000 0.460 176 L N 0.054 121.219 121.223 -0.098 0.000 2.156 176 L HA -0.126 4.253 4.340 0.065 0.000 0.208 176 L C 2.355 179.132 176.870 -0.155 0.000 1.095 176 L CA 0.884 55.682 54.840 -0.070 0.000 0.770 176 L CB -0.199 41.896 42.059 0.059 0.000 0.914 176 L HN -0.005 nan 8.230 nan 0.000 0.439 177 K N 0.770 120.920 120.400 -0.416 0.000 2.211 177 K HA -0.171 4.188 4.320 0.065 0.000 0.201 177 K C 1.841 178.262 176.600 -0.298 0.000 1.052 177 K CA 1.209 57.089 56.287 -0.678 0.000 0.973 177 K CB 0.065 31.664 32.500 -1.501 0.000 0.766 177 K HN 0.108 nan 8.250 nan 0.000 0.466 178 E N 0.472 120.538 120.200 -0.224 0.000 2.051 178 E HA -0.180 4.209 4.350 0.065 0.000 0.192 178 E C 1.838 178.379 176.600 -0.098 0.000 0.991 178 E CA 1.482 57.807 56.400 -0.124 0.000 0.799 178 E CB -0.543 29.103 29.700 -0.091 0.000 0.748 178 E HN 0.275 nan 8.360 nan 0.000 0.449 179 L N 0.519 121.654 121.223 -0.146 0.000 2.027 179 L HA 0.065 4.444 4.340 0.065 0.000 0.206 179 L C 2.282 178.944 176.870 -0.348 0.000 1.074 179 L CA 2.311 57.004 54.840 -0.245 0.000 0.745 179 L CB -1.119 40.747 42.059 -0.321 0.000 0.898 179 L HN 0.226 nan 8.230 nan 0.000 0.433 180 A N -1.094 121.590 122.820 -0.227 0.000 2.125 180 A HA -0.228 4.132 4.320 0.065 0.000 0.219 180 A C 2.256 179.868 177.584 0.047 0.000 1.156 180 A CA 1.567 53.553 52.037 -0.086 0.000 0.671 180 A CB -0.659 18.491 19.000 0.250 0.000 0.794 180 A HN 0.660 nan 8.150 nan 0.000 0.459 181 E N -0.075 120.137 120.200 0.021 0.000 2.015 181 E HA -0.232 4.157 4.350 0.065 0.000 0.191 181 E C 1.847 178.519 176.600 0.120 0.000 0.991 181 E CA 1.437 57.875 56.400 0.062 0.000 0.802 181 E CB -0.061 29.648 29.700 0.015 0.000 0.759 181 E HN 0.383 nan 8.360 nan 0.000 0.447 182 K N 0.332 120.810 120.400 0.130 0.000 1.987 182 K HA -0.164 4.195 4.320 0.065 0.000 0.216 182 K C 1.871 178.709 176.600 0.397 0.000 1.051 182 K CA 1.612 58.037 56.287 0.230 0.000 0.942 182 K CB -0.850 31.796 32.500 0.244 0.000 0.722 182 K HN 0.126 nan 8.250 nan 0.000 0.444 183 F N 1.711 121.783 119.950 0.204 0.000 2.063 183 F HA -0.263 4.303 4.527 0.066 0.000 0.298 183 F C 2.104 178.102 175.800 0.330 0.000 1.105 183 F CA 1.367 59.587 58.000 0.365 0.000 1.215 183 F CB -0.847 38.300 39.000 0.245 0.000 0.972 183 F HN 0.088 nan 8.300 nan 0.000 0.483 184 K N 0.667 121.296 120.400 0.381 0.000 2.442 184 K HA -0.073 4.286 4.320 0.065 0.000 0.198 184 K C 1.861 178.642 176.600 0.302 0.000 1.044 184 K CA 0.967 57.402 56.287 0.245 0.000 0.948 184 K CB -0.223 32.315 32.500 0.062 0.000 0.762 184 K HN 0.266 nan 8.250 nan 0.000 0.472 185 A N 0.268 123.257 122.820 0.281 0.000 1.911 185 A HA -0.031 4.329 4.320 0.065 0.000 0.212 185 A C 2.133 179.850 177.584 0.223 0.000 1.189 185 A CA 0.964 53.134 52.037 0.221 0.000 0.639 185 A CB -0.271 18.828 19.000 0.164 0.000 0.839 185 A HN 0.111 nan 8.150 nan 0.000 0.449 186 V N -1.554 118.502 119.914 0.236 0.000 2.515 186 V HA -0.257 3.902 4.120 0.065 0.000 0.250 186 V C 2.337 178.556 176.094 0.209 0.000 1.058 186 V CA 1.788 64.171 62.300 0.138 0.000 1.064 186 V CB -1.509 30.268 31.823 -0.076 0.000 0.675 186 V HN 0.622 nan 8.190 nan 0.000 0.461 187 Y N 2.769 123.221 120.300 0.253 0.000 2.207 187 Y HA -0.268 4.321 4.550 0.065 0.000 0.287 187 Y C 2.592 178.602 175.900 0.183 0.000 1.156 187 Y CA 2.398 60.663 58.100 0.275 0.000 1.182 187 Y CB -0.082 38.637 38.460 0.432 0.000 0.979 187 Y HN 0.373 nan 8.280 nan 0.000 0.521 188 K N -0.137 120.461 120.400 0.330 0.000 2.243 188 K HA -0.109 4.250 4.320 0.065 0.000 0.201 188 K C 1.964 178.603 176.600 0.065 0.000 1.051 188 K CA 1.130 57.536 56.287 0.198 0.000 0.970 188 K CB -0.431 32.228 32.500 0.266 0.000 0.755 188 K HN 0.366 nan 8.250 nan 0.000 0.465 189 E N 2.620 122.862 120.200 0.069 0.000 2.017 189 E HA -0.160 4.229 4.350 0.065 0.000 0.193 189 E C 0.730 177.321 176.600 -0.015 0.000 0.997 189 E CA 1.470 57.885 56.400 0.026 0.000 0.804 189 E CB -0.246 29.468 29.700 0.023 0.000 0.757 189 E HN 0.309 nan 8.360 nan 0.000 0.448 190 A N 2.024 124.825 122.820 -0.032 0.000 3.004 190 A HA 0.301 4.660 4.320 0.065 0.000 0.252 190 A C 0.251 177.717 177.584 -0.197 0.000 1.802 190 A CA 0.201 52.192 52.037 -0.077 0.000 1.424 190 A CB -0.521 18.439 19.000 -0.067 0.000 1.005 190 A HN 0.270 nan 8.150 nan 0.000 0.631 191 M N -1.383 118.133 119.600 -0.139 0.000 3.493 191 M HA 0.143 4.662 4.480 0.065 0.000 0.300 191 M C -0.390 175.877 176.300 -0.056 0.000 1.288 191 M CA -0.766 54.441 55.300 -0.155 0.000 0.867 191 M CB 0.734 33.179 32.600 -0.258 0.000 1.735 191 M HN 0.286 nan 8.290 nan 0.000 0.518 192 N N 0.281 118.964 118.700 -0.029 0.000 2.466 192 N HA 0.306 5.085 4.740 0.065 0.000 0.211 192 N C 0.885 176.412 175.510 0.027 0.000 1.256 192 N CA 1.423 54.476 53.050 0.004 0.000 0.840 192 N CB -0.296 38.201 38.487 0.015 0.000 1.079 192 N HN 0.871 nan 8.380 nan 0.000 0.466 193 G N -0.242 108.576 108.800 0.030 0.000 2.155 193 G HA2 -0.314 3.685 3.960 0.065 0.000 0.257 193 G HA3 -0.314 3.685 3.960 0.065 0.000 0.257 193 G C -0.062 174.898 174.900 0.101 0.000 0.983 193 G CA 0.195 45.331 45.100 0.060 0.000 0.676 193 G HN 0.512 nan 8.290 nan 0.000 0.528 194 E N 1.199 121.469 120.200 0.116 0.000 2.351 194 E HA 0.260 4.649 4.350 0.065 0.000 0.266 194 E C 0.793 177.585 176.600 0.321 0.000 1.031 194 E CA 0.134 56.646 56.400 0.186 0.000 0.911 194 E CB 0.258 30.070 29.700 0.187 0.000 0.986 194 E HN 0.639 nan 8.360 nan 0.000 0.446 195 E N 4.771 125.116 120.200 0.242 0.000 2.257 195 E HA 0.059 4.448 4.350 0.065 0.000 0.278 195 E C -0.423 176.302 176.600 0.209 0.000 1.049 195 E CA -0.535 56.016 56.400 0.253 0.000 0.876 195 E CB 0.073 29.879 29.700 0.177 0.000 1.035 195 E HN 0.328 nan 8.360 nan 0.000 0.419 196 F N 5.833 125.737 119.950 -0.077 0.000 2.395 196 F HA -0.058 4.508 4.527 0.066 0.000 0.421 196 F C -1.636 174.012 175.800 -0.253 0.000 0.942 196 F CA -1.069 56.633 58.000 -0.497 0.000 1.107 196 F CB 0.110 38.834 39.000 -0.458 0.000 0.895 196 F HN 0.511 nan 8.300 nan 0.000 0.522 197 P HA -0.146 nan 4.420 nan 0.000 0.260 197 P C -0.632 176.731 177.300 0.106 0.000 1.172 197 P CA 0.467 63.493 63.100 -0.124 0.000 0.760 197 P CB 0.522 32.037 31.700 -0.308 0.000 0.773 198 Q N 0.597 120.444 119.800 0.078 0.000 2.217 198 Q HA 0.108 4.487 4.340 0.065 0.000 0.217 198 Q C 0.263 176.261 176.000 -0.005 0.000 0.844 198 Q CA 0.126 55.977 55.803 0.080 0.000 0.957 198 Q CB 0.898 29.679 28.738 0.071 0.000 1.127 198 Q HN 0.535 nan 8.270 nan 0.000 0.503 199 E N 2.581 122.768 120.200 -0.022 0.000 2.035 199 E HA 0.142 4.531 4.350 0.065 0.000 0.271 199 E C -1.870 174.678 176.600 -0.086 0.000 0.953 199 E CA -2.247 54.112 56.400 -0.068 0.000 0.777 199 E CB 1.477 31.154 29.700 -0.039 0.000 1.104 199 E HN -0.092 nan 8.360 nan 0.000 0.408 200 P HA -0.261 nan 4.420 nan 0.000 0.222 200 P C 0.932 178.212 177.300 -0.034 0.000 1.159 200 P CA 1.646 64.536 63.100 -0.349 0.000 0.920 200 P CB 0.336 31.364 31.700 -1.120 0.000 0.793 201 K N -1.092 119.288 120.400 -0.033 0.000 2.147 201 K HA -0.129 4.230 4.320 0.065 0.000 0.205 201 K C 1.719 178.499 176.600 0.301 0.000 1.049 201 K CA 1.355 57.782 56.287 0.233 0.000 0.936 201 K CB -0.354 32.110 32.500 -0.060 0.000 0.722 201 K HN 0.157 nan 8.250 nan 0.000 0.446 202 D N 0.458 120.950 120.400 0.153 0.000 2.194 202 D HA -0.092 4.588 4.640 0.065 0.000 0.204 202 D C 1.846 178.249 176.300 0.172 0.000 0.964 202 D CA 0.936 55.025 54.000 0.148 0.000 0.846 202 D CB 0.147 40.992 40.800 0.074 0.000 0.962 202 D HN 0.267 nan 8.370 nan 0.000 0.490 203 Q N 0.074 119.974 119.800 0.166 0.000 2.020 203 Q HA -0.085 4.294 4.340 0.065 0.000 0.198 203 Q C 2.223 178.428 176.000 0.342 0.000 0.974 203 Q CA 0.580 56.517 55.803 0.224 0.000 0.829 203 Q CB -0.099 28.753 28.738 0.190 0.000 0.894 203 Q HN 0.144 nan 8.270 nan 0.000 0.433 204 L N 0.223 121.666 121.223 0.366 0.000 2.012 204 L HA -0.213 4.166 4.340 0.065 0.000 0.210 204 L C 2.165 179.143 176.870 0.181 0.000 1.073 204 L CA 1.756 56.790 54.840 0.323 0.000 0.748 204 L CB -0.390 41.933 42.059 0.440 0.000 0.891 204 L HN 0.234 nan 8.230 nan 0.000 0.431 205 M N -0.142 119.565 119.600 0.178 0.000 2.086 205 M HA -0.058 4.461 4.480 0.065 0.000 0.261 205 M C 2.272 178.596 176.300 0.041 0.000 1.067 205 M CA 1.759 57.094 55.300 0.058 0.000 1.116 205 M CB -2.166 30.498 32.600 0.108 0.000 1.348 205 M HN 0.415 nan 8.290 nan 0.000 0.407 206 G N -1.021 107.855 108.800 0.127 0.000 2.498 206 G HA2 0.022 4.021 3.960 0.065 0.000 0.219 206 G HA3 0.022 4.021 3.960 0.065 0.000 0.219 206 G C 1.544 176.450 174.900 0.010 0.000 1.119 206 G CA 1.120 46.285 45.100 0.108 0.000 0.766 206 G HN 0.564 nan 8.290 nan 0.000 0.552 207 A N 0.081 122.930 122.820 0.048 0.000 1.861 207 A HA 0.249 4.608 4.320 0.065 0.000 0.212 207 A C 2.499 179.972 177.584 -0.185 0.000 1.199 207 A CA 1.236 53.249 52.037 -0.040 0.000 0.613 207 A CB -0.591 18.463 19.000 0.090 0.000 0.846 207 A HN 0.165 nan 8.150 nan 0.000 0.446 208 V N 0.599 120.382 119.914 -0.217 0.000 2.380 208 V HA -0.325 3.834 4.120 0.065 0.000 0.251 208 V C 2.534 178.148 176.094 -0.800 0.000 1.063 208 V CA 2.554 64.569 62.300 -0.475 0.000 1.055 208 V CB -0.661 30.952 31.823 -0.351 0.000 0.657 208 V HN 0.555 nan 8.190 nan 0.000 0.455 209 K N -0.454 119.662 120.400 -0.473 0.000 1.973 209 K HA -0.132 4.227 4.320 0.065 0.000 0.210 209 K C 2.363 178.744 176.600 -0.365 0.000 1.045 209 K CA 1.368 57.400 56.287 -0.425 0.000 0.937 209 K CB -0.492 31.921 32.500 -0.146 0.000 0.721 209 K HN 0.418 nan 8.250 nan 0.000 0.438 210 A N 0.994 123.676 122.820 -0.230 0.000 1.929 210 A HA -0.237 4.122 4.320 0.065 0.000 0.221 210 A C 2.276 179.788 177.584 -0.121 0.000 1.211 210 A CA 2.238 54.177 52.037 -0.163 0.000 0.657 210 A CB -1.117 17.762 19.000 -0.202 0.000 0.827 210 A HN 0.180 nan 8.150 nan 0.000 0.462 211 V N -0.739 119.062 119.914 -0.189 0.000 2.214 211 V HA -0.314 3.845 4.120 0.065 0.000 0.247 211 V C 2.324 178.470 176.094 0.086 0.000 1.051 211 V CA 2.487 64.729 62.300 -0.096 0.000 1.003 211 V CB -1.120 30.572 31.823 -0.219 0.000 0.635 211 V HN 0.566 nan 8.190 nan 0.000 0.447 212 F N 0.674 120.556 119.950 -0.113 0.000 2.063 212 F HA -0.274 4.293 4.527 0.065 0.000 0.298 212 F C 2.581 178.470 175.800 0.148 0.000 1.105 212 F CA 2.211 60.151 58.000 -0.100 0.000 1.215 212 F CB -1.327 37.246 39.000 -0.712 0.000 0.972 212 F HN 0.161 nan 8.300 nan 0.000 0.483 213 R N 0.871 121.476 120.500 0.175 0.000 2.241 213 R HA -0.134 4.246 4.340 0.065 0.000 0.224 213 R C 2.117 178.606 176.300 0.315 0.000 1.101 213 R CA 1.404 57.687 56.100 0.304 0.000 0.995 213 R CB -0.320 30.097 30.300 0.195 0.000 0.870 213 R HN 0.417 nan 8.270 nan 0.000 0.463 214 S N -0.872 114.987 115.700 0.264 0.000 2.406 214 S HA -0.141 4.368 4.470 0.065 0.000 0.224 214 S C 1.486 176.261 174.600 0.292 0.000 1.030 214 S CA 0.240 58.570 58.200 0.217 0.000 0.958 214 S CB -0.648 62.632 63.200 0.132 0.000 0.811 214 S HN 0.605 nan 8.310 nan 0.000 0.489 215 W N 2.663 124.088 121.300 0.208 0.000 2.782 215 W HA 0.117 4.818 4.660 0.067 0.000 0.248 215 W C 0.047 176.623 176.519 0.095 0.000 1.265 215 W CA 0.700 58.147 57.345 0.170 0.000 1.316 215 W CB -0.460 29.137 29.460 0.227 0.000 1.140 215 W HN 0.339 nan 8.180 nan 0.000 0.665 216 D N -1.121 119.352 120.400 0.122 0.000 2.712 216 D HA 0.015 4.694 4.640 0.065 0.000 0.300 216 D C -0.378 175.930 176.300 0.014 0.000 1.521 216 D CA -0.117 53.849 54.000 -0.056 0.000 0.790 216 D CB -0.280 40.510 40.800 -0.018 0.000 1.155 216 D HN -0.144 nan 8.370 nan 0.000 0.456 217 N N 0.598 119.309 118.700 0.018 0.000 2.515 217 N HA 0.138 4.918 4.740 0.065 0.000 0.279 217 N C -1.684 173.816 175.510 -0.017 0.000 1.164 217 N CA -1.564 51.501 53.050 0.026 0.000 0.982 217 N CB 1.809 40.319 38.487 0.038 0.000 1.170 217 N HN -0.182 nan 8.380 nan 0.000 0.474 218 P HA -0.142 nan 4.420 nan 0.000 0.214 218 P C 1.174 178.466 177.300 -0.012 0.000 1.169 218 P CA 1.656 64.752 63.100 -0.007 0.000 0.908 218 P CB 0.181 31.885 31.700 0.006 0.000 0.791 219 R N -0.423 120.078 120.500 0.002 0.000 2.096 219 R HA -0.154 4.225 4.340 0.065 0.000 0.240 219 R C 2.250 178.560 176.300 0.016 0.000 1.139 219 R CA 2.112 58.221 56.100 0.016 0.000 0.952 219 R CB -1.421 28.895 30.300 0.026 0.000 0.854 219 R HN 0.096 nan 8.270 nan 0.000 0.436 220 A N 0.191 122.996 122.820 -0.024 0.000 1.908 220 A HA -0.160 4.199 4.320 0.065 0.000 0.218 220 A C 2.260 179.795 177.584 -0.081 0.000 1.181 220 A CA 1.666 53.664 52.037 -0.065 0.000 0.627 220 A CB -0.632 18.286 19.000 -0.136 0.000 0.818 220 A HN 0.364 nan 8.150 nan 0.000 0.445 221 I N -0.931 119.566 120.570 -0.121 0.000 2.127 221 I HA -0.227 3.983 4.170 0.065 0.000 0.241 221 I C 2.391 178.464 176.117 -0.073 0.000 1.075 221 I CA 1.576 62.794 61.300 -0.135 0.000 1.334 221 I CB -0.223 37.710 38.000 -0.112 0.000 1.040 221 I HN 0.248 nan 8.210 nan 0.000 0.405 222 V N -0.290 119.600 119.914 -0.040 0.000 2.759 222 V HA -0.295 3.864 4.120 0.065 0.000 0.256 222 V C 2.116 178.183 176.094 -0.045 0.000 1.080 222 V CA 1.575 63.835 62.300 -0.067 0.000 1.101 222 V CB -0.470 31.307 31.823 -0.077 0.000 0.698 222 V HN 0.481 nan 8.190 nan 0.000 0.477 223 Y N 1.183 121.413 120.300 -0.115 0.000 2.286 223 Y HA -0.006 4.584 4.550 0.066 0.000 0.293 223 Y C 2.529 178.366 175.900 -0.106 0.000 1.124 223 Y CA 1.519 59.564 58.100 -0.092 0.000 1.178 223 Y CB -0.173 38.261 38.460 -0.043 0.000 1.010 223 Y HN 0.151 nan 8.280 nan 0.000 0.536 224 R N -0.075 120.513 120.500 0.147 0.000 2.152 224 R HA -0.160 4.219 4.340 0.065 0.000 0.232 224 R C 2.372 178.612 176.300 -0.101 0.000 1.117 224 R CA 1.471 57.578 56.100 0.012 0.000 0.981 224 R CB -0.222 29.997 30.300 -0.136 0.000 0.870 224 R HN 0.332 nan 8.270 nan 0.000 0.451 225 R N 0.342 120.766 120.500 -0.127 0.000 2.052 225 R HA -0.027 4.352 4.340 0.065 0.000 0.226 225 R C 1.895 178.075 176.300 -0.200 0.000 1.145 225 R CA 1.066 57.065 56.100 -0.169 0.000 0.952 225 R CB 0.017 30.187 30.300 -0.216 0.000 0.847 225 R HN 0.008 nan 8.270 nan 0.000 0.431 226 M N 1.227 120.678 119.600 -0.248 0.000 2.530 226 M HA -0.102 4.417 4.480 0.065 0.000 0.261 226 M C 0.510 176.652 176.300 -0.263 0.000 1.067 226 M CA 1.333 56.466 55.300 -0.278 0.000 1.071 226 M CB -0.786 31.595 32.600 -0.365 0.000 1.405 226 M HN 0.310 nan 8.290 nan 0.000 0.478 227 N N 0.050 118.593 118.700 -0.262 0.000 2.200 227 N HA 0.010 4.789 4.740 0.065 0.000 0.224 227 N C -0.775 174.661 175.510 -0.124 0.000 1.179 227 N CA -0.178 52.740 53.050 -0.219 0.000 0.877 227 N CB 0.813 39.124 38.487 -0.292 0.000 1.072 227 N HN 0.168 nan 8.380 nan 0.000 0.519 228 D N 1.553 121.876 120.400 -0.129 0.000 2.697 228 D HA -0.173 4.506 4.640 0.065 0.000 0.235 228 D C -0.410 175.790 176.300 -0.167 0.000 1.167 228 D CA 1.031 54.961 54.000 -0.117 0.000 0.656 228 D CB -1.034 39.722 40.800 -0.073 0.000 1.025 228 D HN 0.462 nan 8.370 nan 0.000 0.419 229 I N 0.611 121.046 120.570 -0.224 0.000 2.498 229 I HA 0.273 4.482 4.170 0.065 0.000 0.290 229 I C -2.218 173.622 176.117 -0.462 0.000 1.032 229 I CA -2.028 59.014 61.300 -0.430 0.000 1.073 229 I CB 2.661 40.487 38.000 -0.290 0.000 1.251 229 I HN -0.290 nan 8.210 nan 0.000 0.426 230 P HA 0.158 nan 4.420 nan 0.000 0.282 230 P C 0.244 177.342 177.300 -0.336 0.000 1.262 230 P CA -0.210 62.602 63.100 -0.480 0.000 0.773 230 P CB 0.934 32.369 31.700 -0.442 0.000 0.879 231 G N 2.139 110.825 108.800 -0.191 0.000 3.458 231 G HA2 0.224 4.223 3.960 0.065 0.000 0.256 231 G HA3 0.224 4.223 3.960 0.065 0.000 0.256 231 G C 0.058 175.094 174.900 0.226 0.000 0.938 231 G CA -0.305 44.642 45.100 -0.254 0.000 1.890 231 G HN 0.626 nan 8.290 nan 0.000 0.639 232 D N -2.791 117.987 120.400 0.629 0.000 2.475 232 D HA -0.018 4.661 4.640 0.065 0.000 0.306 232 D C 0.844 177.493 176.300 0.582 0.000 1.304 232 D CA -0.528 53.799 54.000 0.544 0.000 0.862 232 D CB -0.161 40.812 40.800 0.288 0.000 1.306 232 D HN 0.198 nan 8.370 nan 0.000 0.494 233 W N 2.510 124.044 121.300 0.391 0.000 2.417 233 W HA 0.494 5.194 4.660 0.067 0.000 0.322 233 W C 1.527 177.811 176.519 -0.391 0.000 1.166 233 W CA 2.203 59.603 57.345 0.091 0.000 1.296 233 W CB -0.982 28.619 29.460 0.235 0.000 1.198 233 W HN 0.273 nan 8.180 nan 0.000 0.457 234 G N -0.927 107.293 108.800 -0.967 0.000 2.675 234 G HA2 -0.003 3.997 3.960 0.065 0.000 0.686 234 G HA3 -0.003 3.997 3.960 0.065 0.000 0.686 234 G C -0.352 173.997 174.900 -0.918 0.000 1.215 234 G CA -0.608 43.349 45.100 -1.906 0.000 0.777 234 G HN 0.173 nan 8.290 nan 0.000 0.638 235 T N 0.323 114.396 114.554 -0.802 0.000 2.899 235 T HA 0.808 5.197 4.350 0.065 0.000 0.284 235 T C 0.901 175.588 174.700 -0.022 0.000 1.004 235 T CA 0.393 62.361 62.100 -0.220 0.000 1.043 235 T CB 1.791 70.648 68.868 -0.018 0.000 1.013 235 T HN 1.989 nan 8.240 nan 0.000 0.518 236 A N 1.123 123.963 122.820 0.034 0.000 2.281 236 A HA 0.754 5.113 4.320 0.065 0.000 0.329 236 A C -0.490 177.159 177.584 0.109 0.000 1.122 236 A CA -0.827 51.275 52.037 0.108 0.000 0.850 236 A CB 0.789 19.819 19.000 0.050 0.000 1.207 236 A HN 0.787 nan 8.150 nan 0.000 0.495 237 V N 1.780 121.758 119.914 0.108 0.000 2.407 237 V HA 0.374 4.533 4.120 0.065 0.000 0.291 237 V C -0.655 175.443 176.094 0.008 0.000 1.018 237 V CA -1.104 61.193 62.300 -0.005 0.000 0.842 237 V CB 1.151 32.899 31.823 -0.124 0.000 0.996 237 V HN 0.807 nan 8.190 nan 0.000 0.426 238 N N 2.824 121.512 118.700 -0.021 0.000 2.443 238 N HA 0.678 5.457 4.740 0.065 0.000 0.295 238 N C -1.008 174.381 175.510 -0.202 0.000 1.076 238 N CA -0.382 52.644 53.050 -0.039 0.000 0.919 238 N CB 2.833 41.363 38.487 0.071 0.000 1.176 238 N HN 0.484 nan 8.380 nan 0.000 0.487 239 V N 1.320 120.924 119.914 -0.517 0.000 2.588 239 V HA 0.407 4.567 4.120 0.065 0.000 0.304 239 V C -0.193 175.488 176.094 -0.689 0.000 1.042 239 V CA -0.698 61.159 62.300 -0.738 0.000 0.877 239 V CB 1.865 32.989 31.823 -1.165 0.000 0.996 239 V HN 0.640 nan 8.190 nan 0.000 0.425 240 Q N 1.385 120.972 119.800 -0.356 0.000 2.421 240 Q HA 0.494 4.873 4.340 0.065 0.000 0.280 240 Q C -0.405 175.482 176.000 -0.188 0.000 1.085 240 Q CA -0.554 55.120 55.803 -0.215 0.000 0.807 240 Q CB 2.538 31.279 28.738 0.005 0.000 1.405 240 Q HN 0.875 nan 8.270 nan 0.000 0.419 241 T N 1.315 115.769 114.554 -0.166 0.000 2.930 241 T HA 0.271 4.660 4.350 0.065 0.000 0.306 241 T C 0.040 174.631 174.700 -0.182 0.000 1.045 241 T CA -0.255 61.752 62.100 -0.155 0.000 1.134 241 T CB 0.354 69.135 68.868 -0.144 0.000 0.961 241 T HN 0.583 nan 8.240 nan 0.000 0.545 242 M N 5.398 124.880 119.600 -0.196 0.000 2.216 242 M HA 0.516 5.035 4.480 0.065 0.000 0.356 242 M C -0.789 175.213 176.300 -0.496 0.000 1.205 242 M CA -0.430 54.646 55.300 -0.373 0.000 1.122 242 M CB 0.879 33.219 32.600 -0.433 0.000 1.571 242 M HN 0.585 nan 8.290 nan 0.000 0.464 243 V N 2.037 121.595 119.914 -0.593 0.000 2.715 243 V HA 0.624 4.783 4.120 0.065 0.000 0.310 243 V C -1.080 174.700 176.094 -0.525 0.000 1.054 243 V CA -0.840 61.199 62.300 -0.435 0.000 0.928 243 V CB 1.501 33.058 31.823 -0.443 0.000 1.007 243 V HN 0.697 nan 8.190 nan 0.000 0.437 244 F N 2.176 122.179 119.950 0.087 0.000 2.332 244 F HA 0.658 5.225 4.527 0.066 0.000 0.368 244 F C 1.385 177.221 175.800 0.060 0.000 1.110 244 F CA -0.459 57.620 58.000 0.131 0.000 1.087 244 F CB 1.514 40.668 39.000 0.257 0.000 1.235 244 F HN 0.720 nan 8.300 nan 0.000 0.470 245 G N 1.682 110.560 108.800 0.129 0.000 2.848 245 G HA2 -0.170 3.829 3.960 0.065 0.000 0.208 245 G HA3 -0.170 3.829 3.960 0.065 0.000 0.208 245 G C 0.927 175.896 174.900 0.115 0.000 1.152 245 G CA 0.186 45.334 45.100 0.080 0.000 0.789 245 G HN 0.578 nan 8.290 nan 0.000 0.531 246 N N -0.115 118.723 118.700 0.230 0.000 2.214 246 N HA 0.100 4.879 4.740 0.065 0.000 0.214 246 N C 1.344 176.912 175.510 0.098 0.000 1.132 246 N CA -0.343 52.835 53.050 0.214 0.000 0.856 246 N CB 0.170 38.852 38.487 0.326 0.000 1.020 246 N HN -0.049 nan 8.380 nan 0.000 0.509 247 K N 0.422 120.742 120.400 -0.134 0.000 2.218 247 K HA 0.006 4.365 4.320 0.065 0.000 0.205 247 K C 0.880 177.320 176.600 -0.266 0.000 1.046 247 K CA 1.264 57.234 56.287 -0.528 0.000 0.933 247 K CB -0.305 31.938 32.500 -0.427 0.000 0.728 247 K HN 0.545 nan 8.250 nan 0.000 0.454 248 G N -0.138 108.603 108.800 -0.098 0.000 2.346 248 G HA2 -0.130 3.869 3.960 0.065 0.000 0.294 248 G HA3 -0.130 3.869 3.960 0.065 0.000 0.294 248 G C -0.121 174.761 174.900 -0.032 0.000 1.294 248 G CA -0.198 44.869 45.100 -0.055 0.000 0.962 248 G HN 0.031 nan 8.290 nan 0.000 0.508 249 E N -0.467 119.716 120.200 -0.028 0.000 2.301 249 E HA -0.149 4.240 4.350 0.065 0.000 0.202 249 E C 1.929 178.526 176.600 -0.006 0.000 1.017 249 E CA 1.982 58.372 56.400 -0.017 0.000 0.831 249 E CB -0.210 29.476 29.700 -0.023 0.000 0.742 249 E HN 0.876 nan 8.360 nan 0.000 0.491 250 T N -2.614 111.932 114.554 -0.014 0.000 3.266 250 T HA 0.382 4.771 4.350 0.065 0.000 0.278 250 T C 0.055 174.754 174.700 -0.003 0.000 1.010 250 T CA -0.655 61.443 62.100 -0.004 0.000 0.909 250 T CB 0.409 69.270 68.868 -0.010 0.000 1.122 250 T HN -0.079 nan 8.240 nan 0.000 0.536 251 S N -0.418 115.282 115.700 0.000 0.000 2.634 251 S HA 0.959 5.468 4.470 0.065 0.000 0.296 251 S C -0.000 174.611 174.600 0.019 0.000 1.104 251 S CA -0.536 57.668 58.200 0.006 0.000 0.920 251 S CB 1.855 65.051 63.200 -0.007 0.000 1.111 251 S HN 0.910 nan 8.310 nan 0.000 0.493 252 G N -0.125 108.677 108.800 0.005 0.000 2.356 252 G HA2 0.537 4.536 3.960 0.065 0.000 0.294 252 G HA3 0.537 4.536 3.960 0.065 0.000 0.294 252 G C -1.516 173.304 174.900 -0.134 0.000 1.423 252 G CA -0.360 44.736 45.100 -0.007 0.000 0.806 252 G HN 0.722 nan 8.290 nan 0.000 0.527 253 T N -1.699 112.731 114.554 -0.207 0.000 2.883 253 T HA 0.878 5.268 4.350 0.065 0.000 0.301 253 T C -0.254 174.076 174.700 -0.617 0.000 1.158 253 T CA 0.523 62.322 62.100 -0.501 0.000 1.007 253 T CB 1.730 70.415 68.868 -0.306 0.000 1.186 253 T HN 2.110 nan 8.240 nan 0.000 0.499 254 G N 0.956 109.070 108.800 -1.144 0.000 2.632 254 G HA2 0.557 4.556 3.960 0.065 0.000 0.292 254 G HA3 0.557 4.556 3.960 0.065 0.000 0.292 254 G C -1.900 172.729 174.900 -0.450 0.000 1.465 254 G CA -0.437 44.268 45.100 -0.659 0.000 0.824 254 G HN 0.791 nan 8.290 nan 0.000 0.509 255 V N 0.137 120.009 119.914 -0.070 0.000 2.547 255 V HA 0.889 5.049 4.120 0.065 0.000 0.299 255 V C 0.538 176.609 176.094 -0.038 0.000 1.040 255 V CA 0.046 62.303 62.300 -0.072 0.000 0.913 255 V CB 1.105 32.808 31.823 -0.200 0.000 0.992 255 V HN 1.504 nan 8.190 nan 0.000 0.449 256 A N 3.578 126.337 122.820 -0.102 0.000 2.532 256 A HA 1.013 5.372 4.320 0.065 0.000 0.290 256 A C -1.666 175.777 177.584 -0.235 0.000 1.143 256 A CA -0.499 51.537 52.037 -0.002 0.000 0.728 256 A CB 1.782 21.015 19.000 0.388 0.000 1.317 256 A HN 0.620 nan 8.150 nan 0.000 0.414 257 F N -0.537 119.596 119.950 0.305 0.000 2.588 257 F HA 0.345 4.911 4.527 0.065 0.000 0.314 257 F C 1.364 177.257 175.800 0.154 0.000 1.134 257 F CA 0.016 58.139 58.000 0.205 0.000 0.961 257 F CB 2.232 41.352 39.000 0.201 0.000 1.239 257 F HN 0.617 nan 8.300 nan 0.000 0.448 258 T N -1.331 113.378 114.554 0.258 0.000 3.098 258 T HA 0.160 4.549 4.350 0.065 0.000 0.266 258 T C 0.552 175.323 174.700 0.119 0.000 1.145 258 T CA 0.653 62.837 62.100 0.140 0.000 1.092 258 T CB -0.197 68.715 68.868 0.072 0.000 0.908 258 T HN 0.491 nan 8.240 nan 0.000 0.526 259 R N 0.947 121.509 120.500 0.103 0.000 2.668 259 R HA 0.331 4.710 4.340 0.065 0.000 0.272 259 R C -1.220 175.006 176.300 -0.123 0.000 1.019 259 R CA -0.942 55.167 56.100 0.016 0.000 0.894 259 R CB 0.872 31.167 30.300 -0.008 0.000 1.228 259 R HN 0.051 nan 8.270 nan 0.000 0.460 260 N N 4.560 123.141 118.700 -0.198 0.000 2.386 260 N HA -0.032 4.747 4.740 0.065 0.000 0.273 260 N C -1.387 173.758 175.510 -0.608 0.000 1.331 260 N CA -0.991 51.712 53.050 -0.578 0.000 0.891 260 N CB 0.769 39.052 38.487 -0.340 0.000 1.139 260 N HN 0.330 nan 8.380 nan 0.000 0.487 261 P HA -0.134 nan 4.420 nan 0.000 0.223 261 P C 0.692 177.730 177.300 -0.436 0.000 1.144 261 P CA 1.151 63.834 63.100 -0.695 0.000 0.783 261 P CB 0.245 31.306 31.700 -1.065 0.000 0.771 262 S N -2.103 113.337 115.700 -0.433 0.000 2.540 262 S HA 0.088 4.598 4.470 0.065 0.000 0.222 262 S C 1.380 175.894 174.600 -0.143 0.000 1.008 262 S CA 0.708 58.774 58.200 -0.223 0.000 0.939 262 S CB -0.689 62.427 63.200 -0.140 0.000 0.865 262 S HN 0.270 nan 8.310 nan 0.000 0.499 263 T N -4.381 110.077 114.554 -0.160 0.000 3.046 263 T HA 0.485 4.874 4.350 0.065 0.000 0.270 263 T C 1.652 176.307 174.700 -0.075 0.000 0.920 263 T CA 0.840 62.889 62.100 -0.086 0.000 0.874 263 T CB -0.045 68.795 68.868 -0.046 0.000 1.214 263 T HN 1.184 nan 8.240 nan 0.000 0.536 264 G N 2.031 110.766 108.800 -0.109 0.000 2.220 264 G HA2 -0.367 3.633 3.960 0.065 0.000 0.269 264 G HA3 -0.367 3.633 3.960 0.065 0.000 0.269 264 G C 0.556 175.433 174.900 -0.038 0.000 0.977 264 G CA 0.665 45.723 45.100 -0.070 0.000 0.634 264 G HN 0.617 nan 8.290 nan 0.000 0.539 265 E N 0.308 120.486 120.200 -0.036 0.000 2.504 265 E HA -0.031 4.359 4.350 0.065 0.000 0.206 265 E C 0.947 177.558 176.600 0.019 0.000 1.109 265 E CA 1.019 57.419 56.400 -0.001 0.000 0.906 265 E CB -0.194 29.512 29.700 0.010 0.000 0.843 265 E HN 0.566 nan 8.360 nan 0.000 0.584 266 K N -1.248 119.161 120.400 0.016 0.000 7.559 266 K HA -0.205 4.154 4.320 0.065 0.000 0.589 266 K C -0.475 176.164 176.600 0.066 0.000 2.590 266 K CA 1.144 57.454 56.287 0.038 0.000 2.018 266 K CB -0.927 31.596 32.500 0.037 0.000 2.068 266 K HN 0.398 nan 8.250 nan 0.000 0.260 267 G N 2.532 111.377 108.800 0.076 0.000 2.895 267 G HA2 -0.008 3.991 3.960 0.065 0.000 0.686 267 G HA3 -0.008 3.991 3.960 0.065 0.000 0.686 267 G C -0.532 174.462 174.900 0.156 0.000 1.108 267 G CA -0.649 44.513 45.100 0.103 0.000 0.761 267 G HN 0.875 nan 8.290 nan 0.000 0.611 268 I N 1.695 122.361 120.570 0.160 0.000 2.989 268 I HA 0.183 4.392 4.170 0.065 0.000 0.311 268 I C 0.520 176.845 176.117 0.347 0.000 1.221 268 I CA 0.464 61.901 61.300 0.228 0.000 1.449 268 I CB -0.130 37.984 38.000 0.189 0.000 1.325 268 I HN 0.636 nan 8.210 nan 0.000 0.557 269 Y N 5.238 125.697 120.300 0.265 0.000 2.492 269 Y HA 0.717 5.306 4.550 0.065 0.000 0.346 269 Y C -0.051 176.082 175.900 0.389 0.000 0.997 269 Y CA -0.084 58.201 58.100 0.309 0.000 1.025 269 Y CB 2.004 40.646 38.460 0.304 0.000 1.263 269 Y HN 0.753 nan 8.280 nan 0.000 0.454 270 G N 3.968 112.904 108.800 0.226 0.000 2.321 270 G HA2 0.423 4.422 3.960 0.065 0.000 0.298 270 G HA3 0.423 4.422 3.960 0.065 0.000 0.298 270 G C -2.127 172.852 174.900 0.133 0.000 1.385 270 G CA -0.704 44.515 45.100 0.199 0.000 0.856 270 G HN 0.793 nan 8.290 nan 0.000 0.584 271 E N -1.428 118.862 120.200 0.150 0.000 2.423 271 E HA 0.854 5.244 4.350 0.065 0.000 0.269 271 E C -1.113 175.649 176.600 0.269 0.000 0.948 271 E CA -1.244 55.247 56.400 0.153 0.000 0.802 271 E CB 2.873 32.593 29.700 0.033 0.000 1.339 271 E HN 1.546 nan 8.360 nan 0.000 0.445 272 Y N -1.592 118.709 120.300 0.002 0.000 2.732 272 Y HA 0.583 5.172 4.550 0.065 0.000 0.342 272 Y C -2.442 173.438 175.900 -0.033 0.000 1.203 272 Y CA -1.287 56.782 58.100 -0.052 0.000 1.092 272 Y CB 1.072 39.508 38.460 -0.038 0.000 1.345 272 Y HN 0.544 nan 8.280 nan 0.000 0.458 273 L N 3.428 124.688 121.223 0.061 0.000 2.410 273 L HA 0.482 4.861 4.340 0.065 0.000 0.270 273 L C -1.068 175.881 176.870 0.131 0.000 0.983 273 L CA -1.116 53.716 54.840 -0.014 0.000 0.822 273 L CB 1.883 43.936 42.059 -0.009 0.000 1.285 273 L HN 0.554 nan 8.230 nan 0.000 0.409 274 I N 3.117 123.753 120.570 0.110 0.000 2.575 274 I HA 0.068 4.277 4.170 0.065 0.000 0.285 274 I C 0.568 176.720 176.117 0.058 0.000 1.085 274 I CA -0.097 61.275 61.300 0.120 0.000 1.403 274 I CB 0.339 38.404 38.000 0.109 0.000 1.409 274 I HN 0.755 nan 8.210 nan 0.000 0.557 275 N N 4.682 123.411 118.700 0.048 0.000 2.560 275 N HA -0.095 4.684 4.740 0.065 0.000 0.296 275 N C -1.269 174.280 175.510 0.064 0.000 1.257 275 N CA 1.102 54.180 53.050 0.045 0.000 0.717 275 N CB -0.399 38.104 38.487 0.027 0.000 0.951 275 N HN 0.957 nan 8.380 nan 0.000 0.542 276 A N 2.118 124.980 122.820 0.071 0.000 2.567 276 A HA 0.601 4.960 4.320 0.065 0.000 0.291 276 A C -1.252 176.372 177.584 0.066 0.000 1.048 276 A CA -0.688 51.394 52.037 0.075 0.000 0.661 276 A CB 0.891 19.922 19.000 0.052 0.000 1.288 276 A HN 0.585 nan 8.150 nan 0.000 0.424 277 Q N 0.107 119.950 119.800 0.071 0.000 2.230 277 Q HA 0.512 4.891 4.340 0.065 0.000 0.253 277 Q C 1.285 177.288 176.000 0.005 0.000 0.919 277 Q CA 0.377 56.213 55.803 0.055 0.000 0.908 277 Q CB 1.638 30.433 28.738 0.095 0.000 1.245 277 Q HN 1.091 nan 8.270 nan 0.000 0.437 278 G N 1.777 110.556 108.800 -0.034 0.000 2.910 278 G HA2 -0.274 3.725 3.960 0.065 0.000 0.206 278 G HA3 -0.274 3.725 3.960 0.065 0.000 0.206 278 G C 0.584 175.459 174.900 -0.041 0.000 1.406 278 G CA 0.521 45.577 45.100 -0.075 0.000 0.816 278 G HN 0.814 nan 8.290 nan 0.000 0.669 279 E N 1.749 121.928 120.200 -0.035 0.000 2.449 279 E HA -0.181 4.208 4.350 0.065 0.000 0.206 279 E C 1.479 178.079 176.600 0.000 0.000 1.064 279 E CA 1.634 58.025 56.400 -0.015 0.000 0.875 279 E CB -0.232 29.461 29.700 -0.011 0.000 0.796 279 E HN 0.762 nan 8.360 nan 0.000 0.550 280 D N -0.849 119.555 120.400 0.007 0.000 2.680 280 D HA -0.054 4.625 4.640 0.065 0.000 0.295 280 D C 2.030 178.343 176.300 0.021 0.000 1.097 280 D CA 0.869 54.878 54.000 0.015 0.000 0.952 280 D CB -0.905 39.907 40.800 0.020 0.000 1.491 280 D HN 0.183 nan 8.370 nan 0.000 0.486 281 V N 0.728 120.657 119.914 0.024 0.000 2.283 281 V HA -0.102 4.057 4.120 0.065 0.000 0.243 281 V C 2.262 178.368 176.094 0.020 0.000 1.039 281 V CA 1.317 63.636 62.300 0.032 0.000 1.016 281 V CB -0.919 30.933 31.823 0.048 0.000 0.650 281 V HN 0.068 nan 8.190 nan 0.000 0.449 282 V N 1.602 121.517 119.914 0.002 0.000 2.343 282 V HA -0.051 4.108 4.120 0.065 0.000 0.247 282 V C 2.437 178.538 176.094 0.011 0.000 1.051 282 V CA 1.822 64.119 62.300 -0.006 0.000 1.036 282 V CB -1.385 30.418 31.823 -0.033 0.000 0.654 282 V HN 0.711 nan 8.190 nan 0.000 0.451 283 A N 0.164 122.995 122.820 0.018 0.000 3.004 283 A HA 0.518 4.877 4.320 0.065 0.000 0.252 283 A C 0.820 178.431 177.584 0.045 0.000 1.802 283 A CA 0.933 52.996 52.037 0.043 0.000 1.424 283 A CB -1.332 17.698 19.000 0.050 0.000 1.005 283 A HN 0.920 nan 8.150 nan 0.000 0.631 284 G N -1.606 107.217 108.800 0.037 0.000 2.350 284 G HA2 0.369 4.369 3.960 0.065 0.000 0.282 284 G HA3 0.369 4.369 3.960 0.065 0.000 0.282 284 G C 0.243 175.157 174.900 0.023 0.000 1.314 284 G CA -0.013 45.106 45.100 0.032 0.000 0.915 284 G HN 1.466 nan 8.290 nan 0.000 0.499 285 V N 0.353 120.278 119.914 0.018 0.000 1.111 285 V HA -0.324 3.835 4.120 0.065 0.000 0.103 285 V C 1.750 177.850 176.094 0.011 0.000 0.777 285 V CA 2.990 65.296 62.300 0.011 0.000 2.882 285 V CB -0.531 31.302 31.823 0.015 0.000 0.366 285 V HN 1.445 nan 8.190 nan 0.000 0.207 286 R N 1.153 121.666 120.500 0.021 0.000 3.853 286 R HA -0.093 4.286 4.340 0.065 0.000 0.254 286 R C 0.159 176.481 176.300 0.036 0.000 0.565 286 R CA 0.819 56.947 56.100 0.048 0.000 1.000 286 R CB -1.021 29.344 30.300 0.108 0.000 0.943 286 R HN 0.843 nan 8.270 nan 0.000 0.331 287 T N 7.430 122.000 114.554 0.026 0.000 2.576 287 T HA -0.006 4.383 4.350 0.065 0.000 0.251 287 T C -2.063 172.616 174.700 -0.035 0.000 1.050 287 T CA -0.751 61.350 62.100 0.002 0.000 1.286 287 T CB -0.161 68.711 68.868 0.007 0.000 1.028 287 T HN 0.413 nan 8.240 nan 0.000 0.509 288 P HA 0.226 nan 4.420 nan 0.000 0.275 288 P C -0.204 176.992 177.300 -0.173 0.000 1.227 288 P CA -0.524 62.503 63.100 -0.122 0.000 0.781 288 P CB 0.590 32.247 31.700 -0.073 0.000 0.906 289 Q N 3.589 123.173 119.800 -0.360 0.000 2.259 289 Q HA 0.368 4.747 4.340 0.065 0.000 0.246 289 Q C -2.095 173.783 176.000 -0.203 0.000 0.920 289 Q CA -2.010 53.577 55.803 -0.359 0.000 0.895 289 Q CB -0.133 28.241 28.738 -0.607 0.000 1.220 289 Q HN 0.366 nan 8.270 nan 0.000 0.439 290 P HA -0.040 nan 4.420 nan 0.000 0.271 290 P C 0.236 177.717 177.300 0.301 0.000 1.226 290 P CA -0.013 63.149 63.100 0.104 0.000 0.765 290 P CB 0.536 32.277 31.700 0.070 0.000 0.835 291 I N 4.290 125.091 120.570 0.384 0.000 2.597 291 I HA -0.277 3.932 4.170 0.065 0.000 0.262 291 I C 1.734 178.132 176.117 0.468 0.000 1.194 291 I CA 2.242 63.825 61.300 0.471 0.000 1.437 291 I CB -0.729 37.495 38.000 0.374 0.000 1.096 291 I HN 0.383 nan 8.210 nan 0.000 0.451 292 T N -2.738 112.018 114.554 0.335 0.000 3.023 292 T HA -0.173 4.217 4.350 0.065 0.000 0.266 292 T C 1.776 176.473 174.700 -0.005 0.000 1.093 292 T CA 1.139 63.358 62.100 0.198 0.000 1.129 292 T CB -0.417 68.552 68.868 0.168 0.000 0.899 292 T HN 0.536 nan 8.240 nan 0.000 0.491 293 Q N 0.352 120.231 119.800 0.131 0.000 2.230 293 Q HA 0.172 4.551 4.340 0.065 0.000 0.202 293 Q C 2.077 178.147 176.000 0.117 0.000 0.963 293 Q CA 0.480 56.344 55.803 0.101 0.000 0.866 293 Q CB -0.376 28.446 28.738 0.139 0.000 0.931 293 Q HN 0.592 nan 8.270 nan 0.000 0.452 294 L N 0.809 122.153 121.223 0.202 0.000 2.551 294 L HA -0.185 4.194 4.340 0.065 0.000 0.230 294 L C 1.874 178.719 176.870 -0.041 0.000 1.163 294 L CA 1.041 55.935 54.840 0.091 0.000 0.826 294 L CB 0.001 42.015 42.059 -0.076 0.000 0.943 294 L HN 0.278 nan 8.230 nan 0.000 0.452 295 E N -0.125 119.860 120.200 -0.358 0.000 2.107 295 E HA -0.192 4.197 4.350 0.065 0.000 0.191 295 E C 1.777 178.280 176.600 -0.162 0.000 0.982 295 E CA 1.330 57.431 56.400 -0.499 0.000 0.809 295 E CB 0.109 29.379 29.700 -0.716 0.000 0.756 295 E HN 0.473 nan 8.360 nan 0.000 0.459 296 N N 0.987 119.623 118.700 -0.105 0.000 2.051 296 N HA -0.131 4.649 4.740 0.065 0.000 0.192 296 N C 1.340 176.852 175.510 0.004 0.000 1.049 296 N CA 1.602 54.632 53.050 -0.033 0.000 0.845 296 N CB -0.722 37.759 38.487 -0.009 0.000 1.031 296 N HN 0.186 nan 8.380 nan 0.000 0.425 297 D N 0.348 120.771 120.400 0.039 0.000 2.108 297 D HA -0.092 4.587 4.640 0.065 0.000 0.190 297 D C 0.554 176.878 176.300 0.042 0.000 0.995 297 D CA 1.343 55.379 54.000 0.060 0.000 0.834 297 D CB 0.001 40.878 40.800 0.129 0.000 0.967 297 D HN 0.285 nan 8.370 nan 0.000 0.446 298 M N -0.103 119.521 119.600 0.040 0.000 2.720 298 M HA 0.195 4.715 4.480 0.065 0.000 0.250 298 M C -2.120 174.215 176.300 0.059 0.000 1.280 298 M CA -1.252 54.070 55.300 0.037 0.000 0.579 298 M CB 2.458 35.072 32.600 0.023 0.000 1.469 298 M HN -0.185 nan 8.290 nan 0.000 0.416 299 P HA -0.181 nan 4.420 nan 0.000 0.219 299 P C 0.517 177.876 177.300 0.099 0.000 1.144 299 P CA 1.449 64.594 63.100 0.074 0.000 0.806 299 P CB 0.149 31.870 31.700 0.036 0.000 0.771 300 D N -2.044 118.396 120.400 0.068 0.000 2.349 300 D HA 0.014 4.693 4.640 0.065 0.000 0.215 300 D C 1.487 177.824 176.300 0.061 0.000 1.016 300 D CA 0.373 54.407 54.000 0.058 0.000 0.870 300 D CB 0.021 40.840 40.800 0.032 0.000 0.917 300 D HN 0.181 nan 8.370 nan 0.000 0.524 301 C N -0.175 119.169 119.300 0.072 0.000 2.518 301 C HA -0.000 4.499 4.460 0.065 0.000 0.283 301 C C 2.346 177.395 174.990 0.097 0.000 1.351 301 C CA -0.378 58.671 59.018 0.052 0.000 1.745 301 C CB -0.797 26.946 27.740 0.005 0.000 2.107 301 C HN 0.319 nan 8.230 nan 0.000 0.502 302 Y N 2.592 122.905 120.300 0.022 0.000 2.070 302 Y HA -0.272 4.317 4.550 0.065 0.000 0.280 302 Y C 2.594 178.552 175.900 0.096 0.000 1.148 302 Y CA 2.440 60.585 58.100 0.075 0.000 1.125 302 Y CB -0.446 38.044 38.460 0.050 0.000 0.975 302 Y HN 0.296 nan 8.280 nan 0.000 0.492 303 K N 0.010 120.519 120.400 0.182 0.000 2.059 303 K HA -0.346 4.013 4.320 0.065 0.000 0.212 303 K C 2.300 178.897 176.600 -0.004 0.000 1.050 303 K CA 2.238 58.573 56.287 0.081 0.000 0.927 303 K CB -0.468 32.084 32.500 0.086 0.000 0.714 303 K HN 0.519 nan 8.250 nan 0.000 0.447 304 Q N -0.444 119.372 119.800 0.026 0.000 1.993 304 Q HA -0.205 4.174 4.340 0.065 0.000 0.202 304 Q C 2.112 178.137 176.000 0.041 0.000 0.984 304 Q CA 1.920 57.739 55.803 0.027 0.000 0.837 304 Q CB -0.283 28.483 28.738 0.046 0.000 0.902 304 Q HN 0.467 nan 8.270 nan 0.000 0.423 305 F N 0.880 120.759 119.950 -0.118 0.000 2.095 305 F HA -0.279 4.287 4.527 0.065 0.000 0.298 305 F C 2.097 177.797 175.800 -0.168 0.000 1.104 305 F CA 1.468 59.392 58.000 -0.127 0.000 1.232 305 F CB -0.342 38.414 39.000 -0.407 0.000 0.987 305 F HN 0.128 nan 8.300 nan 0.000 0.475 306 M N 0.513 119.789 119.600 -0.540 0.000 2.065 306 M HA -0.245 4.274 4.480 0.065 0.000 0.259 306 M C 1.957 178.038 176.300 -0.365 0.000 1.069 306 M CA 2.102 57.044 55.300 -0.597 0.000 1.110 306 M CB -1.468 30.888 32.600 -0.406 0.000 1.328 306 M HN 0.164 nan 8.290 nan 0.000 0.405 307 D N 0.081 120.352 120.400 -0.215 0.000 2.149 307 D HA -0.137 4.542 4.640 0.065 0.000 0.198 307 D C 2.107 178.293 176.300 -0.190 0.000 0.990 307 D CA 0.964 54.872 54.000 -0.154 0.000 0.839 307 D CB -0.028 40.718 40.800 -0.090 0.000 0.948 307 D HN 0.266 nan 8.370 nan 0.000 0.460 308 L N 0.030 121.114 121.223 -0.232 0.000 2.109 308 L HA -0.040 4.339 4.340 0.065 0.000 0.207 308 L C 2.444 179.074 176.870 -0.401 0.000 1.086 308 L CA 0.726 55.379 54.840 -0.312 0.000 0.760 308 L CB -0.339 41.514 42.059 -0.343 0.000 0.910 308 L HN 0.040 nan 8.230 nan 0.000 0.437 309 A N -0.029 122.530 122.820 -0.436 0.000 1.908 309 A HA -0.238 4.122 4.320 0.065 0.000 0.218 309 A C 2.272 179.735 177.584 -0.202 0.000 1.181 309 A CA 1.703 53.527 52.037 -0.355 0.000 0.627 309 A CB -0.354 18.320 19.000 -0.543 0.000 0.818 309 A HN 0.280 nan 8.150 nan 0.000 0.445 310 M N -0.571 118.913 119.600 -0.192 0.000 2.175 310 M HA -0.055 4.464 4.480 0.065 0.000 0.264 310 M C 1.987 178.248 176.300 -0.065 0.000 1.063 310 M CA 1.639 56.879 55.300 -0.101 0.000 1.119 310 M CB -1.266 31.280 32.600 -0.091 0.000 1.377 310 M HN 0.515 nan 8.290 nan 0.000 0.415 311 K N 0.547 120.886 120.400 -0.102 0.000 2.211 311 K HA -0.121 4.239 4.320 0.065 0.000 0.204 311 K C 1.861 178.454 176.600 -0.012 0.000 1.047 311 K CA 0.846 57.088 56.287 -0.075 0.000 0.935 311 K CB 0.040 32.464 32.500 -0.127 0.000 0.728 311 K HN 0.257 nan 8.250 nan 0.000 0.452 312 L N 0.347 121.576 121.223 0.009 0.000 1.982 312 L HA -0.133 4.246 4.340 0.065 0.000 0.206 312 L C 2.449 179.534 176.870 0.359 0.000 1.078 312 L CA 1.376 56.355 54.840 0.232 0.000 0.749 312 L CB -0.547 41.591 42.059 0.131 0.000 0.894 312 L HN 0.228 nan 8.230 nan 0.000 0.436 313 E N 0.218 120.537 120.200 0.199 0.000 2.169 313 E HA -0.344 4.045 4.350 0.065 0.000 0.202 313 E C 2.160 178.839 176.600 0.131 0.000 1.016 313 E CA 1.857 58.358 56.400 0.169 0.000 0.817 313 E CB 0.059 29.803 29.700 0.074 0.000 0.736 313 E HN 0.219 nan 8.360 nan 0.000 0.462 314 K N -0.869 119.576 120.400 0.074 0.000 2.062 314 K HA -0.196 4.163 4.320 0.065 0.000 0.205 314 K C 2.130 178.717 176.600 -0.022 0.000 1.051 314 K CA 1.521 57.818 56.287 0.016 0.000 0.941 314 K CB -0.162 32.335 32.500 -0.005 0.000 0.719 314 K HN 0.151 nan 8.250 nan 0.000 0.440 315 H N -0.794 118.203 119.070 -0.122 0.000 2.293 315 H HA -0.109 4.486 4.556 0.065 0.000 0.300 315 H C 0.844 175.861 175.328 -0.518 0.000 1.082 315 H CA 2.326 58.148 56.048 -0.378 0.000 1.308 315 H CB -0.008 29.389 29.762 -0.609 0.000 1.375 315 H HN 0.170 nan 8.280 nan 0.000 0.495 316 F N -0.002 119.951 119.950 0.005 0.000 2.692 316 F HA 0.253 4.819 4.527 0.065 0.000 0.303 316 F C 0.907 176.676 175.800 -0.051 0.000 1.114 316 F CA 0.202 58.180 58.000 -0.036 0.000 1.361 316 F CB -0.002 39.022 39.000 0.040 0.000 1.063 316 F HN 0.014 nan 8.300 nan 0.000 0.550 317 R N -0.011 120.521 120.500 0.053 0.000 3.932 317 R HA -0.267 4.112 4.340 0.065 0.000 0.318 317 R C -0.754 175.583 176.300 0.061 0.000 1.219 317 R CA 1.326 57.440 56.100 0.023 0.000 0.889 317 R CB -1.766 28.511 30.300 -0.038 0.000 1.309 317 R HN 0.430 nan 8.270 nan 0.000 0.537 318 D N -1.541 118.927 120.400 0.114 0.000 2.623 318 D HA 0.178 4.857 4.640 0.065 0.000 0.241 318 D C -0.436 175.920 176.300 0.092 0.000 1.241 318 D CA -0.742 53.310 54.000 0.088 0.000 0.788 318 D CB 0.945 41.797 40.800 0.087 0.000 1.413 318 D HN -0.015 nan 8.370 nan 0.000 0.429 319 M N 2.108 121.748 119.600 0.066 0.000 2.240 319 M HA 0.014 4.533 4.480 0.065 0.000 0.346 319 M C -1.093 175.253 176.300 0.075 0.000 1.236 319 M CA 0.718 56.059 55.300 0.068 0.000 0.986 319 M CB 0.327 32.954 32.600 0.046 0.000 1.786 319 M HN 0.336 nan 8.290 nan 0.000 0.457 320 Q N 3.572 123.429 119.800 0.095 0.000 2.312 320 Q HA 0.290 4.669 4.340 0.065 0.000 0.263 320 Q C -1.157 174.952 176.000 0.183 0.000 0.995 320 Q CA -0.462 55.385 55.803 0.074 0.000 0.853 320 Q CB 1.731 30.475 28.738 0.009 0.000 1.300 320 Q HN 0.587 nan 8.270 nan 0.000 0.448 321 D N 3.743 124.250 120.400 0.178 0.000 2.359 321 D HA 0.297 4.976 4.640 0.065 0.000 0.230 321 D C -0.666 175.688 176.300 0.090 0.000 1.118 321 D CA -0.275 53.869 54.000 0.239 0.000 0.844 321 D CB 0.351 41.363 40.800 0.353 0.000 1.059 321 D HN 0.427 nan 8.370 nan 0.000 0.493 322 M N 1.264 120.915 119.600 0.084 0.000 2.393 322 M HA 0.543 5.062 4.480 0.065 0.000 0.316 322 M C -0.556 175.825 176.300 0.135 0.000 1.087 322 M CA -0.930 54.475 55.300 0.174 0.000 0.937 322 M CB 2.353 35.203 32.600 0.418 0.000 1.668 322 M HN 0.054 nan 8.290 nan 0.000 0.438 323 E N 3.333 123.583 120.200 0.082 0.000 2.197 323 E HA 0.671 5.061 4.350 0.065 0.000 0.281 323 E C -1.733 174.850 176.600 -0.029 0.000 0.995 323 E CA -0.498 55.898 56.400 -0.006 0.000 0.808 323 E CB 1.286 30.964 29.700 -0.038 0.000 1.093 323 E HN 0.576 nan 8.360 nan 0.000 0.394 324 F N 0.101 119.866 119.950 -0.308 0.000 2.626 324 F HA 0.715 5.281 4.527 0.065 0.000 0.311 324 F C -1.015 174.618 175.800 -0.278 0.000 1.088 324 F CA -0.772 56.962 58.000 -0.444 0.000 0.949 324 F CB 1.881 40.389 39.000 -0.821 0.000 1.322 324 F HN 0.138 nan 8.300 nan 0.000 0.461 325 T N 2.598 117.077 114.554 -0.124 0.000 2.993 325 T HA 0.616 5.006 4.350 0.065 0.000 0.312 325 T C -1.259 173.485 174.700 0.073 0.000 1.115 325 T CA -0.403 61.632 62.100 -0.108 0.000 1.027 325 T CB 1.695 70.547 68.868 -0.026 0.000 1.116 325 T HN 0.569 nan 8.240 nan 0.000 0.464 326 I N 3.029 123.610 120.570 0.019 0.000 2.330 326 I HA 0.358 4.567 4.170 0.065 0.000 0.289 326 I C 0.346 176.505 176.117 0.070 0.000 1.001 326 I CA -0.403 60.916 61.300 0.032 0.000 1.193 326 I CB 1.237 39.237 38.000 -0.001 0.000 1.345 326 I HN 0.563 nan 8.210 nan 0.000 0.461 327 E N 7.066 127.346 120.200 0.133 0.000 2.102 327 E HA 0.300 4.689 4.350 0.065 0.000 0.263 327 E C -0.639 176.006 176.600 0.075 0.000 0.894 327 E CA -0.457 56.033 56.400 0.150 0.000 0.746 327 E CB 0.560 30.433 29.700 0.288 0.000 1.129 327 E HN 0.578 nan 8.360 nan 0.000 0.416 328 E N 3.142 123.352 120.200 0.016 0.000 2.210 328 E HA -0.269 4.120 4.350 0.065 0.000 0.201 328 E C 0.511 177.108 176.600 -0.006 0.000 1.339 328 E CA 0.605 56.999 56.400 -0.010 0.000 0.699 328 E CB -1.469 28.215 29.700 -0.025 0.000 1.126 328 E HN 1.087 nan 8.360 nan 0.000 0.355 329 G N 0.244 109.038 108.800 -0.010 0.000 2.153 329 G HA2 -0.346 3.653 3.960 0.065 0.000 0.252 329 G HA3 -0.346 3.653 3.960 0.065 0.000 0.252 329 G C -0.011 174.860 174.900 -0.048 0.000 0.994 329 G CA 0.577 45.665 45.100 -0.021 0.000 0.698 329 G HN 0.190 nan 8.290 nan 0.000 0.521 330 K N 0.060 120.421 120.400 -0.066 0.000 2.450 330 K HA 0.715 5.074 4.320 0.065 0.000 0.257 330 K C -0.385 176.027 176.600 -0.312 0.000 0.953 330 K CA -1.422 54.747 56.287 -0.197 0.000 0.844 330 K CB 1.067 33.451 32.500 -0.193 0.000 1.103 330 K HN 0.330 nan 8.250 nan 0.000 0.429 331 L N 5.052 126.083 121.223 -0.319 0.000 2.350 331 L HA 0.498 4.877 4.340 0.065 0.000 0.275 331 L C -1.384 175.269 176.870 -0.361 0.000 1.099 331 L CA 0.058 54.777 54.840 -0.202 0.000 0.808 331 L CB 0.333 42.365 42.059 -0.046 0.000 1.149 331 L HN 0.611 nan 8.230 nan 0.000 0.442 332 Y N 3.386 123.727 120.300 0.068 0.000 2.512 332 Y HA 0.484 5.074 4.550 0.065 0.000 0.348 332 Y C -0.783 175.126 175.900 0.014 0.000 0.990 332 Y CA -0.636 57.525 58.100 0.102 0.000 1.033 332 Y CB 1.408 39.913 38.460 0.075 0.000 1.259 332 Y HN 0.343 nan 8.280 nan 0.000 0.461 333 F N 2.401 122.530 119.950 0.298 0.000 2.404 333 F HA 0.339 4.905 4.527 0.065 0.000 0.345 333 F C 0.763 176.658 175.800 0.158 0.000 1.110 333 F CA -0.207 57.925 58.000 0.220 0.000 1.130 333 F CB 0.863 39.955 39.000 0.154 0.000 1.129 333 F HN 0.465 nan 8.300 nan 0.000 0.500 334 L N 1.383 122.688 121.223 0.137 0.000 2.269 334 L HA 0.175 4.554 4.340 0.065 0.000 0.200 334 L C -0.315 176.593 176.870 0.065 0.000 1.069 334 L CA 0.309 55.192 54.840 0.071 0.000 0.804 334 L CB -0.004 42.051 42.059 -0.006 0.000 0.987 334 L HN 0.622 nan 8.230 nan 0.000 0.468 335 Q N -1.018 118.835 119.800 0.088 0.000 2.503 335 Q HA 0.438 4.817 4.340 0.065 0.000 0.268 335 Q C -1.265 174.781 176.000 0.077 0.000 0.982 335 Q CA -0.746 55.083 55.803 0.043 0.000 0.907 335 Q CB 1.378 30.112 28.738 -0.007 0.000 1.467 335 Q HN -0.067 nan 8.270 nan 0.000 0.394 336 T N -0.376 114.182 114.554 0.007 0.000 2.932 336 T HA 0.981 5.370 4.350 0.065 0.000 0.289 336 T C -0.602 174.016 174.700 -0.136 0.000 1.039 336 T CA -0.514 61.550 62.100 -0.058 0.000 1.024 336 T CB 1.854 70.600 68.868 -0.204 0.000 1.090 336 T HN 0.984 nan 8.240 nan 0.000 0.496 337 A N 1.772 124.515 122.820 -0.128 0.000 2.566 337 A HA 0.646 5.005 4.320 0.065 0.000 0.297 337 A C -1.003 176.537 177.584 -0.074 0.000 1.059 337 A CA -1.088 50.891 52.037 -0.096 0.000 0.691 337 A CB 1.034 20.034 19.000 -0.001 0.000 1.282 337 A HN 0.699 nan 8.150 nan 0.000 0.401 338 N N 1.514 120.175 118.700 -0.066 0.000 2.452 338 N HA 0.254 5.033 4.740 0.065 0.000 0.266 338 N C 0.670 176.209 175.510 0.048 0.000 1.209 338 N CA 0.901 53.944 53.050 -0.012 0.000 0.929 338 N CB 1.037 39.531 38.487 0.012 0.000 1.063 338 N HN 0.936 nan 8.380 nan 0.000 0.472 339 G N 2.124 110.977 108.800 0.088 0.000 2.391 339 G HA2 -0.069 3.930 3.960 0.065 0.000 0.234 339 G HA3 -0.069 3.930 3.960 0.065 0.000 0.234 339 G C 0.230 175.168 174.900 0.063 0.000 1.284 339 G CA -0.318 44.863 45.100 0.135 0.000 0.873 339 G HN 0.371 nan 8.290 nan 0.000 0.549 340 K N 2.526 122.971 120.400 0.074 0.000 2.349 340 K HA 0.206 4.566 4.320 0.065 0.000 0.288 340 K C 0.530 177.103 176.600 -0.044 0.000 1.058 340 K CA 0.102 56.409 56.287 0.033 0.000 0.953 340 K CB 1.409 33.949 32.500 0.067 0.000 0.997 340 K HN 0.527 nan 8.250 nan 0.000 0.477 341 R N 0.384 120.857 120.500 -0.044 0.000 2.875 341 R HA 0.344 4.724 4.340 0.065 0.000 0.251 341 R C 0.295 176.556 176.300 -0.065 0.000 1.123 341 R CA -0.730 55.316 56.100 -0.089 0.000 1.064 341 R CB 0.787 31.041 30.300 -0.076 0.000 1.205 341 R HN 0.380 nan 8.270 nan 0.000 0.503 342 T N -0.232 114.270 114.554 -0.086 0.000 2.899 342 T HA 0.302 4.692 4.350 0.065 0.000 0.284 342 T C 1.310 175.985 174.700 -0.042 0.000 1.004 342 T CA 0.202 62.266 62.100 -0.060 0.000 1.043 342 T CB 1.309 70.132 68.868 -0.075 0.000 1.013 342 T HN 0.621 nan 8.240 nan 0.000 0.518 343 A N 5.023 127.826 122.820 -0.028 0.000 1.859 343 A HA -0.018 4.341 4.320 0.065 0.000 0.217 343 A C -0.385 177.196 177.584 -0.004 0.000 1.198 343 A CA 1.663 53.692 52.037 -0.014 0.000 0.629 343 A CB -1.889 17.102 19.000 -0.016 0.000 0.830 343 A HN 0.698 nan 8.150 nan 0.000 0.446 344 P HA -0.169 nan 4.420 nan 0.000 0.215 344 P C 1.712 179.002 177.300 -0.016 0.000 1.157 344 P CA 2.164 65.261 63.100 -0.005 0.000 0.874 344 P CB -0.261 31.427 31.700 -0.021 0.000 0.790 345 A N 0.083 122.878 122.820 -0.041 0.000 1.908 345 A HA -0.167 4.192 4.320 0.065 0.000 0.218 345 A C 2.390 179.954 177.584 -0.035 0.000 1.181 345 A CA 2.434 54.436 52.037 -0.058 0.000 0.627 345 A CB -1.629 17.306 19.000 -0.108 0.000 0.818 345 A HN 0.222 nan 8.150 nan 0.000 0.445 346 A N -0.330 122.477 122.820 -0.023 0.000 1.902 346 A HA -0.042 4.318 4.320 0.065 0.000 0.217 346 A C 2.192 179.784 177.584 0.015 0.000 1.181 346 A CA 1.496 53.531 52.037 -0.002 0.000 0.623 346 A CB -0.610 18.392 19.000 0.003 0.000 0.818 346 A HN 0.480 nan 8.150 nan 0.000 0.443 347 L N -1.191 120.039 121.223 0.012 0.000 1.989 347 L HA -0.268 4.111 4.340 0.065 0.000 0.211 347 L C 2.914 179.798 176.870 0.023 0.000 1.071 347 L CA 1.940 56.788 54.840 0.013 0.000 0.749 347 L CB -0.562 41.511 42.059 0.022 0.000 0.890 347 L HN 0.478 nan 8.230 nan 0.000 0.431 348 Q N 0.587 120.397 119.800 0.017 0.000 2.061 348 Q HA -0.200 4.179 4.340 0.065 0.000 0.204 348 Q C 2.036 178.056 176.000 0.034 0.000 0.984 348 Q CA 1.873 57.689 55.803 0.021 0.000 0.846 348 Q CB -0.227 28.514 28.738 0.006 0.000 0.902 348 Q HN 0.506 nan 8.270 nan 0.000 0.421 349 I N -0.046 120.538 120.570 0.024 0.000 2.394 349 I HA -0.219 3.990 4.170 0.065 0.000 0.251 349 I C 2.220 178.375 176.117 0.064 0.000 1.136 349 I CA 0.795 62.116 61.300 0.034 0.000 1.425 349 I CB -0.769 37.242 38.000 0.017 0.000 1.079 349 I HN 0.254 nan 8.210 nan 0.000 0.425 350 A N 0.847 123.716 122.820 0.082 0.000 1.865 350 A HA -0.230 4.129 4.320 0.065 0.000 0.217 350 A C 2.530 180.241 177.584 0.211 0.000 1.191 350 A CA 2.053 54.173 52.037 0.137 0.000 0.623 350 A CB -1.198 17.892 19.000 0.150 0.000 0.826 350 A HN 0.532 nan 8.150 nan 0.000 0.444 351 C N -0.560 118.868 119.300 0.213 0.000 2.436 351 C HA -0.096 4.404 4.460 0.065 0.000 0.277 351 C C 2.445 177.552 174.990 0.195 0.000 1.241 351 C CA 0.964 60.152 59.018 0.284 0.000 1.721 351 C CB -1.332 26.496 27.740 0.146 0.000 2.043 351 C HN 0.613 nan 8.230 nan 0.000 0.472 352 D N 0.993 121.464 120.400 0.118 0.000 2.106 352 D HA -0.133 4.546 4.640 0.065 0.000 0.191 352 D C 1.953 178.293 176.300 0.068 0.000 0.997 352 D CA 1.296 55.345 54.000 0.081 0.000 0.834 352 D CB -0.584 40.250 40.800 0.058 0.000 0.956 352 D HN 0.432 nan 8.370 nan 0.000 0.448 353 L N 0.155 121.416 121.223 0.063 0.000 2.265 353 L HA -0.126 4.253 4.340 0.065 0.000 0.215 353 L C 2.455 179.339 176.870 0.024 0.000 1.117 353 L CA 0.263 55.127 54.840 0.039 0.000 0.782 353 L CB -0.094 41.987 42.059 0.037 0.000 0.914 353 L HN -0.060 nan 8.230 nan 0.000 0.441 354 V N -0.469 119.473 119.914 0.047 0.000 2.255 354 V HA -0.248 3.912 4.120 0.065 0.000 0.243 354 V C 2.034 178.135 176.094 0.012 0.000 1.038 354 V CA 1.872 64.173 62.300 0.001 0.000 1.008 354 V CB -0.325 31.522 31.823 0.040 0.000 0.645 354 V HN 0.409 nan 8.190 nan 0.000 0.449 355 D N -0.248 120.192 120.400 0.068 0.000 2.178 355 D HA -0.154 4.526 4.640 0.065 0.000 0.201 355 D C 2.129 178.449 176.300 0.033 0.000 0.980 355 D CA 1.116 55.151 54.000 0.059 0.000 0.842 355 D CB -0.076 40.773 40.800 0.082 0.000 0.948 355 D HN 0.576 nan 8.370 nan 0.000 0.472 356 E N -0.467 119.750 120.200 0.029 0.000 2.285 356 E HA 0.094 4.484 4.350 0.065 0.000 0.194 356 E C 1.286 177.887 176.600 0.002 0.000 0.997 356 E CA 0.589 56.999 56.400 0.017 0.000 0.845 356 E CB 0.266 29.977 29.700 0.019 0.000 0.782 356 E HN 0.289 nan 8.360 nan 0.000 0.491 357 G N 0.403 109.199 108.800 -0.007 0.000 2.144 357 G HA2 -0.281 3.718 3.960 0.065 0.000 0.218 357 G HA3 -0.281 3.718 3.960 0.065 0.000 0.218 357 G C 0.792 175.673 174.900 -0.031 0.000 0.988 357 G CA 0.343 45.429 45.100 -0.023 0.000 0.659 357 G HN 0.133 nan 8.290 nan 0.000 0.522 358 M N -0.170 119.415 119.600 -0.025 0.000 2.357 358 M HA 0.347 4.866 4.480 0.065 0.000 0.266 358 M C 1.452 177.726 176.300 -0.043 0.000 1.095 358 M CA 1.374 56.656 55.300 -0.030 0.000 1.156 358 M CB 0.131 32.723 32.600 -0.013 0.000 1.365 358 M HN 0.581 nan 8.290 nan 0.000 0.447 359 I N -2.990 117.552 120.570 -0.046 0.000 3.042 359 I HA 0.508 4.717 4.170 0.065 0.000 0.310 359 I C 0.058 176.112 176.117 -0.105 0.000 1.117 359 I CA -0.997 60.264 61.300 -0.065 0.000 1.003 359 I CB 2.068 40.043 38.000 -0.041 0.000 1.228 359 I HN -0.068 nan 8.210 nan 0.000 0.443 360 T N 0.037 114.510 114.554 -0.135 0.000 2.824 360 T HA 0.365 4.754 4.350 0.065 0.000 0.277 360 T C 0.652 175.178 174.700 -0.290 0.000 0.975 360 T CA -0.050 61.934 62.100 -0.194 0.000 0.966 360 T CB 1.328 70.097 68.868 -0.165 0.000 1.054 360 T HN 0.765 nan 8.240 nan 0.000 0.533 361 E N 0.127 120.072 120.200 -0.424 0.000 2.152 361 E HA -0.002 4.388 4.350 0.065 0.000 0.192 361 E C 2.046 178.517 176.600 -0.216 0.000 0.983 361 E CA 0.837 56.859 56.400 -0.631 0.000 0.818 361 E CB -0.289 28.789 29.700 -1.036 0.000 0.758 361 E HN 0.760 nan 8.360 nan 0.000 0.467 362 E N 1.149 121.171 120.200 -0.296 0.000 2.097 362 E HA -0.225 4.164 4.350 0.065 0.000 0.196 362 E C 1.698 178.145 176.600 -0.255 0.000 1.000 362 E CA 1.686 57.790 56.400 -0.492 0.000 0.804 362 E CB -0.146 29.235 29.700 -0.532 0.000 0.740 362 E HN 0.470 nan 8.360 nan 0.000 0.454 363 E N 0.254 120.354 120.200 -0.167 0.000 2.170 363 E HA 0.057 4.446 4.350 0.065 0.000 0.191 363 E C 2.112 178.697 176.600 -0.025 0.000 0.981 363 E CA 0.646 56.990 56.400 -0.094 0.000 0.830 363 E CB -0.125 29.527 29.700 -0.081 0.000 0.775 363 E HN 0.243 nan 8.360 nan 0.000 0.470 364 A N 1.700 124.522 122.820 0.005 0.000 1.908 364 A HA -0.148 4.211 4.320 0.065 0.000 0.218 364 A C 2.547 180.226 177.584 0.158 0.000 1.181 364 A CA 1.275 53.388 52.037 0.127 0.000 0.627 364 A CB -0.815 18.348 19.000 0.272 0.000 0.818 364 A HN 0.134 nan 8.150 nan 0.000 0.445 365 V N -0.904 119.111 119.914 0.169 0.000 2.295 365 V HA -0.207 3.953 4.120 0.065 0.000 0.246 365 V C 2.496 178.624 176.094 0.058 0.000 1.049 365 V CA 1.924 64.317 62.300 0.155 0.000 1.024 365 V CB -0.599 31.360 31.823 0.227 0.000 0.648 365 V HN 0.362 nan 8.190 nan 0.000 0.447 366 V N -0.049 119.866 119.914 0.001 0.000 2.594 366 V HA -0.190 3.970 4.120 0.065 0.000 0.253 366 V C 2.379 178.477 176.094 0.007 0.000 1.069 366 V CA 1.818 64.108 62.300 -0.017 0.000 1.082 366 V CB -0.589 31.200 31.823 -0.057 0.000 0.680 366 V HN 0.506 nan 8.190 nan 0.000 0.469 367 R N -0.624 119.887 120.500 0.019 0.000 2.313 367 R HA 0.172 4.552 4.340 0.065 0.000 0.199 367 R C 0.161 176.481 176.300 0.034 0.000 0.958 367 R CA 0.053 56.170 56.100 0.028 0.000 1.047 367 R CB 0.120 30.439 30.300 0.032 0.000 0.955 367 R HN 0.328 nan 8.270 nan 0.000 0.481 368 I N 1.863 122.453 120.570 0.034 0.000 2.577 368 I HA 0.043 4.252 4.170 0.065 0.000 0.300 368 I C 0.617 176.747 176.117 0.022 0.000 0.990 368 I CA -0.766 60.550 61.300 0.026 0.000 1.283 368 I CB 1.336 39.346 38.000 0.017 0.000 1.411 368 I HN 0.147 nan 8.210 nan 0.000 0.515 369 E N 4.018 124.229 120.200 0.018 0.000 2.014 369 E HA 0.461 4.850 4.350 0.065 0.000 0.275 369 E C 0.520 177.128 176.600 0.013 0.000 0.997 369 E CA -0.587 55.825 56.400 0.020 0.000 0.804 369 E CB 1.315 31.029 29.700 0.023 0.000 1.090 369 E HN 0.668 nan 8.360 nan 0.000 0.401 370 A N 5.495 128.325 122.820 0.016 0.000 2.009 370 A HA -0.254 4.106 4.320 0.065 0.000 0.222 370 A C 1.960 179.553 177.584 0.015 0.000 1.175 370 A CA 1.396 53.442 52.037 0.015 0.000 0.651 370 A CB -0.418 18.595 19.000 0.022 0.000 0.815 370 A HN 0.591 nan 8.150 nan 0.000 0.459 371 K N 0.183 120.590 120.400 0.013 0.000 2.362 371 K HA -0.073 4.286 4.320 0.065 0.000 0.200 371 K C 2.070 178.666 176.600 -0.007 0.000 1.046 371 K CA 1.336 57.627 56.287 0.006 0.000 0.952 371 K CB -0.195 32.307 32.500 0.003 0.000 0.753 371 K HN 0.731 nan 8.250 nan 0.000 0.466 372 S N 0.393 116.089 115.700 -0.008 0.000 2.496 372 S HA 0.029 4.538 4.470 0.065 0.000 0.224 372 S C 1.941 176.517 174.600 -0.040 0.000 0.996 372 S CA 0.067 58.253 58.200 -0.024 0.000 0.927 372 S CB -0.378 62.813 63.200 -0.015 0.000 0.774 372 S HN 0.174 nan 8.310 nan 0.000 0.524 373 L N 3.005 124.224 121.223 -0.007 0.000 2.351 373 L HA -0.180 4.199 4.340 0.065 0.000 0.220 373 L C 2.667 179.504 176.870 -0.054 0.000 1.127 373 L CA 1.609 56.466 54.840 0.028 0.000 0.786 373 L CB -1.040 41.084 42.059 0.107 0.000 0.914 373 L HN 0.514 nan 8.230 nan 0.000 0.443 374 D N 0.162 120.499 120.400 -0.104 0.000 2.221 374 D HA -0.265 4.415 4.640 0.065 0.000 0.204 374 D C 1.758 177.732 176.300 -0.543 0.000 0.982 374 D CA 1.210 55.079 54.000 -0.219 0.000 0.857 374 D CB -0.058 40.659 40.800 -0.138 0.000 0.934 374 D HN 0.530 nan 8.370 nan 0.000 0.475 375 Q N -0.268 119.276 119.800 -0.426 0.000 2.124 375 Q HA -0.081 4.298 4.340 0.065 0.000 0.202 375 Q C 2.426 178.180 176.000 -0.409 0.000 0.977 375 Q CA 0.769 56.267 55.803 -0.509 0.000 0.850 375 Q CB 0.064 28.707 28.738 -0.157 0.000 0.901 375 Q HN 0.366 nan 8.270 nan 0.000 0.429 376 L N -0.027 121.044 121.223 -0.254 0.000 2.201 376 L HA -0.089 4.290 4.340 0.065 0.000 0.212 376 L C 1.729 178.422 176.870 -0.296 0.000 1.105 376 L CA 1.243 55.953 54.840 -0.218 0.000 0.775 376 L CB -0.592 41.344 42.059 -0.205 0.000 0.913 376 L HN 0.302 nan 8.230 nan 0.000 0.440 377 L N -1.177 119.825 121.223 -0.368 0.000 2.685 377 L HA 0.100 4.479 4.340 0.065 0.000 0.233 377 L C 0.311 176.955 176.870 -0.376 0.000 1.173 377 L CA -0.205 54.371 54.840 -0.441 0.000 0.961 377 L CB -0.463 41.261 42.059 -0.558 0.000 1.217 377 L HN 0.182 nan 8.230 nan 0.000 0.478 378 H N 1.422 120.339 119.070 -0.255 0.000 2.767 378 H HA 0.122 4.717 4.556 0.065 0.000 0.316 378 H C -1.900 173.296 175.328 -0.220 0.000 1.059 378 H CA -2.143 53.773 56.048 -0.219 0.000 1.461 378 H CB 0.650 30.304 29.762 -0.179 0.000 1.475 378 H HN -0.068 nan 8.280 nan 0.000 0.531 379 P HA -0.124 nan 4.420 nan 0.000 0.256 379 P C 0.298 177.524 177.300 -0.124 0.000 1.173 379 P CA 0.335 63.380 63.100 -0.092 0.000 0.768 379 P CB 0.334 31.989 31.700 -0.075 0.000 0.758 380 T N 1.381 115.873 114.554 -0.105 0.000 2.914 380 T HA 0.412 4.801 4.350 0.065 0.000 0.313 380 T C 0.009 174.671 174.700 -0.063 0.000 1.137 380 T CA -0.363 61.653 62.100 -0.139 0.000 0.946 380 T CB 0.272 69.090 68.868 -0.084 0.000 1.558 380 T HN -0.047 nan 8.240 nan 0.000 0.565 381 F N 1.835 121.764 119.950 -0.034 0.000 2.385 381 F HA 0.473 5.039 4.527 0.065 0.000 0.336 381 F C 0.718 176.501 175.800 -0.029 0.000 1.100 381 F CA -1.697 56.284 58.000 -0.033 0.000 1.116 381 F CB 0.816 39.798 39.000 -0.031 0.000 1.166 381 F HN 0.629 nan 8.300 nan 0.000 0.511 382 N N 4.982 123.826 118.700 0.240 0.000 2.442 382 N HA 0.191 4.971 4.740 0.065 0.000 0.265 382 N C -2.028 173.503 175.510 0.034 0.000 1.138 382 N CA -1.761 51.343 53.050 0.089 0.000 0.956 382 N CB 1.148 39.661 38.487 0.044 0.000 1.067 382 N HN 0.104 nan 8.380 nan 0.000 0.474 383 P HA -0.215 nan 4.420 nan 0.000 0.211 383 P C 0.647 177.933 177.300 -0.023 0.000 1.181 383 P CA 2.182 65.287 63.100 0.009 0.000 0.929 383 P CB -0.087 31.621 31.700 0.012 0.000 0.789 384 A N -0.760 122.046 122.820 -0.022 0.000 2.125 384 A HA -0.066 4.293 4.320 0.065 0.000 0.219 384 A C 2.261 179.809 177.584 -0.059 0.000 1.156 384 A CA 1.861 53.878 52.037 -0.034 0.000 0.671 384 A CB -1.469 17.516 19.000 -0.024 0.000 0.794 384 A HN 0.227 nan 8.150 nan 0.000 0.459 385 A N -0.503 122.271 122.820 -0.076 0.000 1.873 385 A HA 0.057 4.416 4.320 0.065 0.000 0.215 385 A C 1.967 179.431 177.584 -0.200 0.000 1.186 385 A CA 1.629 53.587 52.037 -0.131 0.000 0.616 385 A CB -0.412 18.501 19.000 -0.145 0.000 0.823 385 A HN 0.399 nan 8.150 nan 0.000 0.442 386 L N -0.070 121.026 121.223 -0.212 0.000 2.068 386 L HA -0.048 4.331 4.340 0.065 0.000 0.204 386 L C 2.433 179.224 176.870 -0.132 0.000 1.076 386 L CA 1.849 56.547 54.840 -0.236 0.000 0.753 386 L CB -0.669 41.278 42.059 -0.188 0.000 0.910 386 L HN 0.357 nan 8.230 nan 0.000 0.439 387 K N 0.996 121.346 120.400 -0.083 0.000 2.089 387 K HA -0.162 4.197 4.320 0.065 0.000 0.210 387 K C 0.953 177.520 176.600 -0.055 0.000 1.048 387 K CA 1.804 58.060 56.287 -0.052 0.000 0.926 387 K CB -0.173 32.307 32.500 -0.033 0.000 0.714 387 K HN 0.274 nan 8.250 nan 0.000 0.448 388 A N 1.149 123.928 122.820 -0.068 0.000 3.282 388 A HA 0.446 4.805 4.320 0.065 0.000 0.287 388 A C 0.130 177.662 177.584 -0.087 0.000 1.366 388 A CA -0.003 51.996 52.037 -0.064 0.000 1.069 388 A CB -0.044 18.924 19.000 -0.053 0.000 1.109 388 A HN 0.336 nan 8.150 nan 0.000 0.638 389 G N -0.760 107.979 108.800 -0.102 0.000 2.482 389 G HA2 0.483 4.482 3.960 0.065 0.000 0.317 389 G HA3 0.483 4.482 3.960 0.065 0.000 0.317 389 G C -0.605 174.234 174.900 -0.102 0.000 1.241 389 G CA -0.358 44.663 45.100 -0.132 0.000 0.967 389 G HN 0.082 nan 8.290 nan 0.000 0.482 390 E N 1.622 121.755 120.200 -0.111 0.000 1.775 390 E HA 0.110 4.499 4.350 0.065 0.000 0.266 390 E C 0.365 176.923 176.600 -0.071 0.000 1.191 390 E CA -0.247 56.106 56.400 -0.079 0.000 1.048 390 E CB 0.321 29.955 29.700 -0.109 0.000 1.081 390 E HN 0.116 nan 8.360 nan 0.000 0.434 391 V N 6.877 126.773 119.914 -0.031 0.000 2.393 391 V HA -0.076 4.083 4.120 0.065 0.000 0.257 391 V C 1.651 177.783 176.094 0.063 0.000 1.040 391 V CA 0.481 62.780 62.300 -0.002 0.000 1.097 391 V CB -0.538 31.291 31.823 0.010 0.000 1.101 391 V HN 0.534 nan 8.190 nan 0.000 0.479 392 I N 2.054 122.677 120.570 0.089 0.000 3.883 392 I HA 0.539 4.748 4.170 0.065 0.000 0.326 392 I C 0.754 177.006 176.117 0.225 0.000 1.283 392 I CA 0.286 61.712 61.300 0.210 0.000 1.161 392 I CB 0.342 38.547 38.000 0.341 0.000 1.012 392 I HN 0.537 nan 8.210 nan 0.000 0.421 393 G N 0.081 108.988 108.800 0.179 0.000 2.692 393 G HA2 0.550 4.549 3.960 0.065 0.000 0.291 393 G HA3 0.550 4.549 3.960 0.065 0.000 0.291 393 G C -1.753 173.219 174.900 0.120 0.000 1.423 393 G CA -0.423 44.780 45.100 0.171 0.000 0.843 393 G HN 0.026 nan 8.290 nan 0.000 0.486 394 S N -1.272 114.485 115.700 0.095 0.000 2.546 394 S HA 0.926 5.435 4.470 0.065 0.000 0.272 394 S C -0.052 174.582 174.600 0.057 0.000 1.140 394 S CA 0.543 58.786 58.200 0.073 0.000 0.920 394 S CB 1.475 64.712 63.200 0.062 0.000 1.083 394 S HN 2.102 nan 8.310 nan 0.000 0.476 395 A N 2.923 125.773 122.820 0.050 0.000 4.056 395 A HA 0.620 4.979 4.320 0.065 0.000 0.277 395 A C -1.976 175.631 177.584 0.038 0.000 1.037 395 A CA -0.711 51.347 52.037 0.036 0.000 0.572 395 A CB 0.102 19.115 19.000 0.021 0.000 1.685 395 A HN 0.671 nan 8.150 nan 0.000 0.799 396 L N 1.611 122.853 121.223 0.032 0.000 2.319 396 L HA 0.391 4.770 4.340 0.065 0.000 0.280 396 L C -2.103 174.797 176.870 0.050 0.000 1.099 396 L CA -1.626 53.239 54.840 0.041 0.000 0.828 396 L CB 1.208 43.290 42.059 0.037 0.000 1.150 396 L HN 0.350 nan 8.230 nan 0.000 0.442 397 P HA 0.130 nan 4.420 nan 0.000 0.238 397 P C 0.161 177.513 177.300 0.086 0.000 1.794 397 P CA -0.098 63.042 63.100 0.067 0.000 1.088 397 P CB 0.980 32.725 31.700 0.074 0.000 1.923 398 A N 3.228 126.091 122.820 0.072 0.000 1.822 398 A HA 0.014 4.374 4.320 0.065 0.000 0.214 398 A C 0.954 178.572 177.584 0.056 0.000 1.245 398 A CA 1.269 53.356 52.037 0.085 0.000 0.608 398 A CB -1.039 18.001 19.000 0.066 0.000 0.896 398 A HN 0.467 nan 8.150 nan 0.000 0.457 399 S N 0.620 116.333 115.700 0.023 0.000 2.451 399 S HA 0.605 5.114 4.470 0.065 0.000 0.301 399 S C -2.932 171.662 174.600 -0.010 0.000 1.116 399 S CA -1.876 56.322 58.200 -0.002 0.000 1.093 399 S CB 1.470 64.663 63.200 -0.012 0.000 1.017 399 S HN 0.256 nan 8.310 nan 0.000 0.482 400 P HA 0.467 nan 4.420 nan 0.000 0.269 400 P C 0.622 177.896 177.300 -0.044 0.000 1.211 400 P CA 0.641 63.727 63.100 -0.023 0.000 0.781 400 P CB 0.124 31.809 31.700 -0.026 0.000 0.877 401 G N -0.601 108.156 108.800 -0.071 0.000 2.351 401 G HA2 0.445 4.444 3.960 0.065 0.000 0.353 401 G HA3 0.445 4.444 3.960 0.065 0.000 0.353 401 G C -1.912 172.846 174.900 -0.238 0.000 1.358 401 G CA -0.187 44.831 45.100 -0.138 0.000 0.995 401 G HN 0.524 nan 8.290 nan 0.000 0.611 402 A N -0.481 122.078 122.820 -0.436 0.000 2.291 402 A HA 1.014 5.373 4.320 0.065 0.000 0.311 402 A C 0.347 177.577 177.584 -0.589 0.000 1.224 402 A CA 0.691 52.205 52.037 -0.872 0.000 0.821 402 A CB 0.877 18.867 19.000 -1.684 0.000 1.172 402 A HN 2.447 nan 8.150 nan 0.000 0.494 403 A N 1.685 124.330 122.820 -0.292 0.000 2.337 403 A HA 0.968 5.327 4.320 0.065 0.000 0.331 403 A C -0.050 177.579 177.584 0.076 0.000 1.137 403 A CA -0.073 51.900 52.037 -0.108 0.000 0.807 403 A CB 1.331 20.310 19.000 -0.034 0.000 1.250 403 A HN 2.493 nan 8.150 nan 0.000 0.468 404 A N 0.433 123.288 122.820 0.058 0.000 2.512 404 A HA 0.795 5.154 4.320 0.065 0.000 0.294 404 A C -0.277 177.352 177.584 0.075 0.000 1.054 404 A CA 0.269 52.383 52.037 0.130 0.000 0.756 404 A CB 0.774 19.907 19.000 0.221 0.000 1.293 404 A HN 2.657 nan 8.150 nan 0.000 0.395 405 G N 1.028 109.876 108.800 0.080 0.000 2.316 405 G HA2 0.447 4.446 3.960 0.065 0.000 0.296 405 G HA3 0.447 4.446 3.960 0.065 0.000 0.296 405 G C -1.449 173.479 174.900 0.045 0.000 1.399 405 G CA -1.068 44.071 45.100 0.064 0.000 0.833 405 G HN 0.719 nan 8.290 nan 0.000 0.565 406 K N 0.599 121.015 120.400 0.027 0.000 2.447 406 K HA 0.303 4.662 4.320 0.065 0.000 0.281 406 K C 0.887 177.296 176.600 -0.318 0.000 1.031 406 K CA -0.148 56.057 56.287 -0.137 0.000 1.019 406 K CB 1.353 33.762 32.500 -0.152 0.000 0.918 406 K HN 0.862 nan 8.250 nan 0.000 0.476 407 V N 1.679 121.377 119.914 -0.362 0.000 2.614 407 V HA 0.269 4.429 4.120 0.065 0.000 0.291 407 V C -0.838 174.829 176.094 -0.712 0.000 1.049 407 V CA -0.256 61.809 62.300 -0.392 0.000 1.038 407 V CB -0.352 31.344 31.823 -0.212 0.000 0.980 407 V HN 0.542 nan 8.190 nan 0.000 0.481 408 Y N 2.853 122.923 120.300 -0.385 0.000 2.492 408 Y HA 0.605 5.194 4.550 0.066 0.000 0.346 408 Y C 0.064 175.631 175.900 -0.554 0.000 0.997 408 Y CA -1.006 56.877 58.100 -0.363 0.000 1.025 408 Y CB 1.810 40.198 38.460 -0.120 0.000 1.263 408 Y HN 0.515 nan 8.280 nan 0.000 0.454 409 F N 0.129 120.186 119.950 0.178 0.000 2.797 409 F HA 0.161 4.728 4.527 0.065 0.000 0.302 409 F C 0.861 176.707 175.800 0.076 0.000 1.130 409 F CA 0.132 58.194 58.000 0.103 0.000 1.387 409 F CB 0.255 39.312 39.000 0.094 0.000 1.107 409 F HN 0.427 nan 8.300 nan 0.000 0.577 410 T N -3.873 110.782 114.554 0.167 0.000 2.889 410 T HA 0.673 5.062 4.350 0.065 0.000 0.315 410 T C 0.641 175.368 174.700 0.045 0.000 1.291 410 T CA -0.356 61.805 62.100 0.102 0.000 1.028 410 T CB 1.565 70.492 68.868 0.098 0.000 1.235 410 T HN -0.110 nan 8.240 nan 0.000 0.491 411 A N 1.592 124.432 122.820 0.033 0.000 1.873 411 A HA 0.036 4.396 4.320 0.065 0.000 0.215 411 A C 1.683 179.259 177.584 -0.013 0.000 1.186 411 A CA 2.030 54.074 52.037 0.012 0.000 0.616 411 A CB -1.376 17.640 19.000 0.028 0.000 0.823 411 A HN 0.942 nan 8.150 nan 0.000 0.442 412 D N -0.019 120.382 120.400 0.002 0.000 2.332 412 D HA -0.195 4.484 4.640 0.065 0.000 0.209 412 D C 1.615 177.891 176.300 -0.041 0.000 0.988 412 D CA 1.621 55.615 54.000 -0.011 0.000 0.912 412 D CB -0.025 40.780 40.800 0.008 0.000 0.899 412 D HN 0.904 nan 8.370 nan 0.000 0.477 413 E N -1.583 118.583 120.200 -0.057 0.000 2.603 413 E HA 0.316 4.705 4.350 0.065 0.000 0.224 413 E C 1.650 178.052 176.600 -0.330 0.000 0.896 413 E CA 0.150 56.470 56.400 -0.134 0.000 1.224 413 E CB 0.082 29.767 29.700 -0.026 0.000 1.206 413 E HN 0.128 nan 8.360 nan 0.000 0.576 414 A N 2.297 124.985 122.820 -0.220 0.000 1.897 414 A HA -0.127 4.232 4.320 0.065 0.000 0.215 414 A C 2.234 179.645 177.584 -0.288 0.000 1.181 414 A CA 1.812 53.675 52.037 -0.289 0.000 0.620 414 A CB -0.341 18.610 19.000 -0.082 0.000 0.821 414 A HN 0.121 nan 8.150 nan 0.000 0.443 415 K N 0.333 120.631 120.400 -0.169 0.000 1.978 415 K HA -0.081 4.278 4.320 0.065 0.000 0.214 415 K C 2.024 178.499 176.600 -0.209 0.000 1.049 415 K CA 2.001 58.216 56.287 -0.121 0.000 0.939 415 K CB -0.725 31.738 32.500 -0.061 0.000 0.721 415 K HN 0.292 nan 8.250 nan 0.000 0.441 416 A N 0.515 123.195 122.820 -0.234 0.000 2.009 416 A HA -0.187 4.172 4.320 0.065 0.000 0.222 416 A C 2.035 179.317 177.584 -0.504 0.000 1.175 416 A CA 2.177 54.036 52.037 -0.296 0.000 0.651 416 A CB -1.180 17.689 19.000 -0.218 0.000 0.815 416 A HN 0.532 nan 8.150 nan 0.000 0.459 417 A N -0.495 121.993 122.820 -0.553 0.000 2.416 417 A HA 0.395 4.754 4.320 0.065 0.000 0.252 417 A C 0.028 177.361 177.584 -0.418 0.000 1.353 417 A CA -0.007 51.677 52.037 -0.588 0.000 0.996 417 A CB -0.743 17.750 19.000 -0.845 0.000 0.961 417 A HN 0.684 nan 8.150 nan 0.000 0.523 418 H N -0.960 118.038 119.070 -0.120 0.000 4.331 418 H HA -0.135 4.461 4.556 0.066 0.000 0.283 418 H C 0.364 175.651 175.328 -0.067 0.000 0.655 418 H CA 0.723 56.728 56.048 -0.072 0.000 0.789 418 H CB -1.108 28.624 29.762 -0.050 0.000 1.167 418 H HN 0.957 nan 8.280 nan 0.000 0.316 419 E N 3.391 123.633 120.200 0.071 0.000 2.617 419 E HA -0.078 4.311 4.350 0.065 0.000 0.269 419 E C 0.297 176.869 176.600 -0.048 0.000 1.384 419 E CA 0.192 56.606 56.400 0.023 0.000 1.195 419 E CB 0.329 30.107 29.700 0.129 0.000 0.975 419 E HN 0.644 nan 8.360 nan 0.000 0.516 420 K N 0.339 120.633 120.400 -0.176 0.000 1.964 420 K HA 0.036 4.396 4.320 0.065 0.000 0.206 420 K C 0.477 177.000 176.600 -0.127 0.000 1.151 420 K CA 0.485 56.643 56.287 -0.215 0.000 1.269 420 K CB -0.776 31.494 32.500 -0.383 0.000 1.112 420 K HN 0.724 nan 8.250 nan 0.000 0.231 421 G N 1.341 110.095 108.800 -0.077 0.000 4.248 421 G HA2 -0.154 3.846 3.960 0.065 0.000 0.218 421 G HA3 -0.154 3.846 3.960 0.065 0.000 0.218 421 G C 0.371 175.263 174.900 -0.014 0.000 0.790 421 G CA -0.505 44.566 45.100 -0.049 0.000 0.844 421 G HN 0.374 nan 8.290 nan 0.000 0.588 422 E N 1.429 121.638 120.200 0.015 0.000 2.416 422 E HA 0.129 4.518 4.350 0.065 0.000 0.189 422 E C 0.521 177.166 176.600 0.076 0.000 1.091 422 E CA -0.219 56.218 56.400 0.062 0.000 0.889 422 E CB -0.371 29.411 29.700 0.136 0.000 1.015 422 E HN 0.463 nan 8.360 nan 0.000 0.479 423 R N -0.601 119.923 120.500 0.040 0.000 2.865 423 R HA -0.157 4.222 4.340 0.065 0.000 0.269 423 R C -0.979 175.385 176.300 0.107 0.000 0.915 423 R CA 0.246 56.376 56.100 0.049 0.000 0.715 423 R CB -1.668 28.659 30.300 0.045 0.000 1.735 423 R HN -0.097 nan 8.270 nan 0.000 0.506 424 V N 4.212 124.185 119.914 0.099 0.000 2.735 424 V HA 0.528 4.687 4.120 0.065 0.000 0.310 424 V C -0.051 176.094 176.094 0.085 0.000 1.061 424 V CA -0.906 61.506 62.300 0.187 0.000 0.913 424 V CB 2.318 34.248 31.823 0.178 0.000 1.005 424 V HN 0.245 nan 8.190 nan 0.000 0.428 425 I N 4.891 125.502 120.570 0.069 0.000 2.389 425 I HA 0.374 4.584 4.170 0.065 0.000 0.288 425 I C -0.427 175.645 176.117 -0.075 0.000 0.999 425 I CA -0.949 60.332 61.300 -0.031 0.000 1.129 425 I CB 1.514 39.477 38.000 -0.061 0.000 1.288 425 I HN 0.366 nan 8.210 nan 0.000 0.444 426 L N 8.796 129.967 121.223 -0.086 0.000 2.295 426 L HA 0.348 4.727 4.340 0.065 0.000 0.288 426 L C -0.332 176.425 176.870 -0.188 0.000 1.079 426 L CA -0.080 54.700 54.840 -0.099 0.000 0.830 426 L CB 0.773 42.805 42.059 -0.045 0.000 1.200 426 L HN 0.263 nan 8.230 nan 0.000 0.438 427 V N 7.274 127.017 119.914 -0.285 0.000 2.348 427 V HA 0.562 4.722 4.120 0.065 0.000 0.270 427 V C 0.324 176.333 176.094 -0.141 0.000 1.037 427 V CA -0.467 61.619 62.300 -0.356 0.000 0.872 427 V CB 0.648 32.107 31.823 -0.607 0.000 1.002 427 V HN 0.739 nan 8.190 nan 0.000 0.464 428 R N 2.947 123.384 120.500 -0.106 0.000 2.774 428 R HA 0.404 4.783 4.340 0.065 0.000 0.272 428 R C 0.341 176.629 176.300 -0.019 0.000 1.000 428 R CA -0.980 55.115 56.100 -0.009 0.000 0.906 428 R CB 1.808 32.114 30.300 0.011 0.000 1.227 428 R HN 0.480 nan 8.270 nan 0.000 0.468 429 L N 1.093 122.325 121.223 0.014 0.000 2.109 429 L HA 0.018 4.397 4.340 0.065 0.000 0.207 429 L C 0.418 177.287 176.870 -0.001 0.000 1.086 429 L CA 1.904 56.745 54.840 0.003 0.000 0.760 429 L CB -0.339 41.729 42.059 0.014 0.000 0.910 429 L HN 0.803 nan 8.230 nan 0.000 0.437 430 E N -2.430 117.775 120.200 0.008 0.000 2.422 430 E HA 0.374 4.763 4.350 0.065 0.000 0.280 430 E C -1.195 175.419 176.600 0.023 0.000 1.091 430 E CA -0.197 56.213 56.400 0.017 0.000 0.849 430 E CB 0.806 30.511 29.700 0.009 0.000 1.353 430 E HN 0.036 nan 8.360 nan 0.000 0.449 431 T N -1.288 113.298 114.554 0.053 0.000 2.807 431 T HA 0.857 5.246 4.350 0.065 0.000 0.277 431 T C -0.102 174.487 174.700 -0.185 0.000 1.006 431 T CA -0.155 61.977 62.100 0.054 0.000 1.006 431 T CB 1.314 70.309 68.868 0.211 0.000 1.274 431 T HN 1.000 nan 8.240 nan 0.000 0.569 432 S N -1.431 114.149 115.700 -0.201 0.000 2.611 432 S HA 0.535 5.044 4.470 0.065 0.000 0.268 432 S C -2.711 171.827 174.600 -0.103 0.000 1.156 432 S CA -1.198 56.670 58.200 -0.552 0.000 0.817 432 S CB 0.997 64.030 63.200 -0.278 0.000 1.122 432 S HN 0.413 nan 8.310 nan 0.000 0.466 433 P HA -0.165 nan 4.420 nan 0.000 0.218 433 P C 1.046 178.394 177.300 0.080 0.000 1.147 433 P CA 1.540 64.714 63.100 0.123 0.000 0.827 433 P CB -0.070 31.665 31.700 0.057 0.000 0.778 434 E N -0.082 120.134 120.200 0.027 0.000 2.077 434 E HA -0.170 4.220 4.350 0.065 0.000 0.193 434 E C 1.555 178.187 176.600 0.054 0.000 0.989 434 E CA 1.185 57.602 56.400 0.029 0.000 0.800 434 E CB -1.242 28.463 29.700 0.009 0.000 0.746 434 E HN 0.372 nan 8.360 nan 0.000 0.452 435 D N 0.839 121.283 120.400 0.072 0.000 2.219 435 D HA -0.106 4.574 4.640 0.065 0.000 0.205 435 D C 1.925 178.293 176.300 0.114 0.000 0.970 435 D CA 0.175 54.228 54.000 0.090 0.000 0.851 435 D CB -0.401 40.460 40.800 0.102 0.000 0.943 435 D HN 0.070 nan 8.370 nan 0.000 0.488 436 I N 1.561 122.224 120.570 0.155 0.000 2.247 436 I HA -0.384 3.825 4.170 0.065 0.000 0.249 436 I C 1.918 178.111 176.117 0.125 0.000 1.027 436 I CA 1.713 63.114 61.300 0.168 0.000 1.316 436 I CB -0.021 38.099 38.000 0.199 0.000 1.007 436 I HN 0.050 nan 8.210 nan 0.000 0.430 437 E N -0.690 119.561 120.200 0.085 0.000 2.051 437 E HA -0.078 4.312 4.350 0.065 0.000 0.189 437 E C 2.190 178.856 176.600 0.110 0.000 0.979 437 E CA 0.887 57.325 56.400 0.064 0.000 0.803 437 E CB -0.488 29.218 29.700 0.010 0.000 0.761 437 E HN 0.653 nan 8.360 nan 0.000 0.451 438 G N 0.927 109.766 108.800 0.065 0.000 2.470 438 G HA2 -0.223 3.777 3.960 0.065 0.000 0.220 438 G HA3 -0.223 3.777 3.960 0.065 0.000 0.220 438 G C 1.526 176.447 174.900 0.034 0.000 1.121 438 G CA 0.436 45.557 45.100 0.035 0.000 0.766 438 G HN 0.085 nan 8.290 nan 0.000 0.553 439 M N -0.022 119.615 119.600 0.062 0.000 2.064 439 M HA -0.059 4.461 4.480 0.065 0.000 0.260 439 M C 2.450 178.763 176.300 0.020 0.000 1.073 439 M CA 1.444 56.769 55.300 0.043 0.000 1.124 439 M CB -1.032 31.610 32.600 0.069 0.000 1.326 439 M HN 0.374 nan 8.290 nan 0.000 0.410 440 H N 0.859 119.914 119.070 -0.026 0.000 2.426 440 H HA -0.126 4.469 4.556 0.065 0.000 0.298 440 H C 1.674 176.974 175.328 -0.046 0.000 1.107 440 H CA 2.036 58.056 56.048 -0.046 0.000 1.298 440 H CB 0.032 29.759 29.762 -0.060 0.000 1.377 440 H HN 0.365 nan 8.280 nan 0.000 0.519 441 A N 1.062 123.774 122.820 -0.181 0.000 2.119 441 A HA 0.398 4.758 4.320 0.065 0.000 0.216 441 A C 1.579 179.059 177.584 -0.173 0.000 1.152 441 A CA 0.511 52.423 52.037 -0.207 0.000 0.708 441 A CB -0.392 18.615 19.000 0.011 0.000 0.805 441 A HN 0.591 nan 8.150 nan 0.000 0.460 442 A N -0.599 122.143 122.820 -0.129 0.000 2.271 442 A HA 0.538 4.897 4.320 0.065 0.000 0.288 442 A C 0.837 178.352 177.584 -0.115 0.000 1.094 442 A CA -0.358 51.625 52.037 -0.089 0.000 0.828 442 A CB 0.407 19.376 19.000 -0.052 0.000 1.091 442 A HN 0.149 nan 8.150 nan 0.000 0.493 443 E N 0.020 120.168 120.200 -0.087 0.000 2.204 443 E HA 0.129 4.518 4.350 0.065 0.000 0.194 443 E C 0.876 177.402 176.600 -0.122 0.000 0.989 443 E CA 1.344 57.673 56.400 -0.119 0.000 0.824 443 E CB -0.094 29.555 29.700 -0.085 0.000 0.756 443 E HN 0.896 nan 8.360 nan 0.000 0.477 444 G N -0.265 108.484 108.800 -0.085 0.000 2.411 444 G HA2 0.450 4.449 3.960 0.065 0.000 0.295 444 G HA3 0.450 4.449 3.960 0.065 0.000 0.295 444 G C -1.553 173.305 174.900 -0.070 0.000 1.542 444 G CA -0.933 44.122 45.100 -0.076 0.000 0.814 444 G HN -0.041 nan 8.290 nan 0.000 0.557 445 I N 0.369 120.900 120.570 -0.066 0.000 2.493 445 I HA 0.556 4.765 4.170 0.065 0.000 0.298 445 I C -0.083 175.974 176.117 -0.100 0.000 0.998 445 I CA -0.853 60.401 61.300 -0.076 0.000 1.137 445 I CB 2.062 40.038 38.000 -0.041 0.000 1.310 445 I HN 0.368 nan 8.210 nan 0.000 0.445 446 L N 5.674 126.799 121.223 -0.164 0.000 2.298 446 L HA 0.605 4.984 4.340 0.065 0.000 0.284 446 L C -0.483 176.267 176.870 -0.201 0.000 1.013 446 L CA -0.207 54.491 54.840 -0.237 0.000 0.824 446 L CB 1.293 43.081 42.059 -0.451 0.000 1.221 446 L HN 0.864 nan 8.230 nan 0.000 0.418 447 T N 0.339 114.810 114.554 -0.138 0.000 2.912 447 T HA 0.410 4.799 4.350 0.065 0.000 0.288 447 T C 0.895 175.533 174.700 -0.103 0.000 1.030 447 T CA -0.785 61.255 62.100 -0.099 0.000 1.020 447 T CB 2.276 71.123 68.868 -0.035 0.000 1.056 447 T HN 0.189 nan 8.240 nan 0.000 0.480 448 V N 0.851 120.717 119.914 -0.080 0.000 2.331 448 V HA 0.118 4.278 4.120 0.065 0.000 0.242 448 V C 1.231 177.308 176.094 -0.030 0.000 1.034 448 V CA 1.205 63.470 62.300 -0.059 0.000 1.027 448 V CB -0.649 31.151 31.823 -0.039 0.000 0.667 448 V HN 0.967 nan 8.190 nan 0.000 0.457 449 R N -0.288 120.202 120.500 -0.016 0.000 2.686 449 R HA 0.710 5.089 4.340 0.065 0.000 0.286 449 R C -0.453 175.852 176.300 0.008 0.000 0.969 449 R CA -0.115 55.982 56.100 -0.005 0.000 0.898 449 R CB 2.030 32.327 30.300 -0.004 0.000 1.183 449 R HN 0.263 nan 8.270 nan 0.000 0.456 450 G N 0.416 109.224 108.800 0.014 0.000 2.343 450 G HA2 0.374 4.373 3.960 0.065 0.000 0.298 450 G HA3 0.374 4.373 3.960 0.065 0.000 0.298 450 G C -0.952 173.967 174.900 0.033 0.000 1.644 450 G CA -0.479 44.640 45.100 0.031 0.000 0.958 450 G HN 0.807 nan 8.290 nan 0.000 0.702 451 G N -0.429 108.397 108.800 0.044 0.000 2.641 451 G HA2 0.524 4.523 3.960 0.065 0.000 0.239 451 G HA3 0.524 4.523 3.960 0.065 0.000 0.239 451 G C 1.172 176.114 174.900 0.069 0.000 1.402 451 G CA -0.295 44.829 45.100 0.040 0.000 1.046 451 G HN 0.504 nan 8.290 nan 0.000 0.565 452 M N 0.589 120.231 119.600 0.070 0.000 2.229 452 M HA -0.007 4.512 4.480 0.065 0.000 0.264 452 M C 2.538 178.987 176.300 0.248 0.000 1.063 452 M CA 1.585 56.970 55.300 0.141 0.000 1.114 452 M CB -1.183 31.440 32.600 0.039 0.000 1.387 452 M HN 0.631 nan 8.290 nan 0.000 0.420 453 T N -2.154 112.524 114.554 0.205 0.000 3.144 453 T HA 0.134 4.523 4.350 0.065 0.000 0.249 453 T C 0.839 175.636 174.700 0.162 0.000 1.089 453 T CA 0.121 62.356 62.100 0.225 0.000 0.989 453 T CB -0.494 68.455 68.868 0.136 0.000 0.992 453 T HN 0.336 nan 8.240 nan 0.000 0.540 454 S N 0.507 116.290 115.700 0.138 0.000 2.580 454 S HA 0.028 4.537 4.470 0.065 0.000 0.261 454 S C 1.169 175.866 174.600 0.163 0.000 1.366 454 S CA -0.369 57.908 58.200 0.129 0.000 0.996 454 S CB 0.202 63.464 63.200 0.104 0.000 0.902 454 S HN 0.492 nan 8.310 nan 0.000 0.566 455 H N 1.318 120.426 119.070 0.064 0.000 2.267 455 H HA -0.146 4.449 4.556 0.065 0.000 0.297 455 H C 2.256 177.628 175.328 0.072 0.000 1.080 455 H CA 2.121 58.209 56.048 0.066 0.000 1.278 455 H CB -0.870 28.920 29.762 0.048 0.000 1.365 455 H HN 0.784 nan 8.280 nan 0.000 0.489 456 A N 1.554 124.461 122.820 0.145 0.000 1.883 456 A HA -0.170 4.190 4.320 0.065 0.000 0.217 456 A C 2.799 180.394 177.584 0.019 0.000 1.186 456 A CA 2.413 54.478 52.037 0.046 0.000 0.624 456 A CB -1.361 17.686 19.000 0.078 0.000 0.822 456 A HN 0.651 nan 8.150 nan 0.000 0.444 457 A N -0.583 122.273 122.820 0.061 0.000 1.884 457 A HA -0.139 4.220 4.320 0.065 0.000 0.219 457 A C 2.278 179.901 177.584 0.065 0.000 1.197 457 A CA 2.305 54.387 52.037 0.076 0.000 0.637 457 A CB -1.251 17.824 19.000 0.125 0.000 0.827 457 A HN 0.516 nan 8.150 nan 0.000 0.450 458 V N -0.747 119.215 119.914 0.079 0.000 2.255 458 V HA -0.253 3.906 4.120 0.065 0.000 0.247 458 V C 2.569 178.667 176.094 0.007 0.000 1.051 458 V CA 2.116 64.459 62.300 0.071 0.000 1.018 458 V CB -0.864 31.020 31.823 0.102 0.000 0.641 458 V HN 0.385 nan 8.190 nan 0.000 0.445 459 V N -0.080 119.790 119.914 -0.074 0.000 2.270 459 V HA -0.237 3.922 4.120 0.065 0.000 0.245 459 V C 2.714 178.797 176.094 -0.019 0.000 1.043 459 V CA 1.993 64.252 62.300 -0.068 0.000 1.014 459 V CB -1.110 30.597 31.823 -0.194 0.000 0.645 459 V HN 0.560 nan 8.190 nan 0.000 0.447 460 A N 0.083 122.889 122.820 -0.023 0.000 1.884 460 A HA -0.326 4.033 4.320 0.065 0.000 0.219 460 A C 2.305 179.882 177.584 -0.012 0.000 1.197 460 A CA 2.450 54.478 52.037 -0.016 0.000 0.637 460 A CB -0.688 18.303 19.000 -0.016 0.000 0.827 460 A HN 0.533 nan 8.150 nan 0.000 0.450 461 R N -1.102 119.392 120.500 -0.009 0.000 2.117 461 R HA -0.152 4.227 4.340 0.065 0.000 0.243 461 R C 2.346 178.636 176.300 -0.017 0.000 1.143 461 R CA 1.199 57.286 56.100 -0.021 0.000 0.968 461 R CB -0.669 29.605 30.300 -0.043 0.000 0.863 461 R HN 0.585 nan 8.270 nan 0.000 0.444 462 G N 1.691 110.491 108.800 0.000 0.000 2.404 462 G HA2 -0.254 3.745 3.960 0.065 0.000 0.215 462 G HA3 -0.254 3.745 3.960 0.065 0.000 0.215 462 G C 1.450 176.347 174.900 -0.006 0.000 1.174 462 G CA 0.821 45.927 45.100 0.010 0.000 0.780 462 G HN 0.389 nan 8.290 nan 0.000 0.537 463 M N 0.107 119.700 119.600 -0.011 0.000 2.618 463 M HA 0.390 4.909 4.480 0.065 0.000 0.240 463 M C 1.548 177.846 176.300 -0.004 0.000 1.123 463 M CA 0.894 56.183 55.300 -0.017 0.000 1.060 463 M CB -0.021 32.567 32.600 -0.019 0.000 1.535 463 M HN 0.297 nan 8.290 nan 0.000 0.507 464 G N 1.787 110.586 108.800 -0.002 0.000 2.269 464 G HA2 -0.248 3.751 3.960 0.065 0.000 0.277 464 G HA3 -0.248 3.751 3.960 0.065 0.000 0.277 464 G C 0.035 174.944 174.900 0.015 0.000 1.008 464 G CA 0.787 45.895 45.100 0.013 0.000 0.774 464 G HN 0.576 nan 8.290 nan 0.000 0.511 465 T N -0.484 114.057 114.554 -0.021 0.000 2.828 465 T HA 0.379 4.769 4.350 0.065 0.000 0.290 465 T C 1.040 175.706 174.700 -0.057 0.000 1.019 465 T CA 0.216 62.280 62.100 -0.059 0.000 1.031 465 T CB 1.499 70.324 68.868 -0.071 0.000 1.001 465 T HN 0.764 nan 8.240 nan 0.000 0.531 466 C N 1.929 121.178 119.300 -0.086 0.000 2.601 466 C HA 0.623 5.122 4.460 0.065 0.000 0.409 466 C C 0.370 175.332 174.990 -0.046 0.000 1.293 466 C CA -0.669 58.305 59.018 -0.073 0.000 2.101 466 C CB -1.233 26.447 27.740 -0.101 0.000 2.639 466 C HN 0.996 nan 8.230 nan 0.000 0.592 467 C N 6.085 125.370 119.300 -0.025 0.000 2.716 467 C HA 0.636 5.135 4.460 0.065 0.000 0.366 467 C C -0.970 174.021 174.990 0.002 0.000 1.073 467 C CA -0.410 58.600 59.018 -0.014 0.000 1.260 467 C CB 0.453 28.190 27.740 -0.006 0.000 1.755 467 C HN 0.833 nan 8.230 nan 0.000 0.475 468 V N 6.447 126.356 119.914 -0.010 0.000 2.326 468 V HA 0.629 4.788 4.120 0.065 0.000 0.281 468 V C 0.260 176.342 176.094 -0.021 0.000 1.015 468 V CA 0.062 62.362 62.300 -0.000 0.000 0.823 468 V CB 1.580 33.413 31.823 0.016 0.000 1.009 468 V HN 0.999 nan 8.190 nan 0.000 0.436 469 S N 3.179 118.880 115.700 0.002 0.000 2.532 469 S HA 0.816 5.326 4.470 0.065 0.000 0.301 469 S C 0.388 174.990 174.600 0.003 0.000 1.083 469 S CA 0.035 58.235 58.200 -0.000 0.000 1.025 469 S CB 1.863 65.076 63.200 0.022 0.000 1.056 469 S HN 2.180 nan 8.310 nan 0.000 0.494 470 G N 0.473 109.269 108.800 -0.006 0.000 2.470 470 G HA2 -0.192 3.808 3.960 0.065 0.000 0.286 470 G HA3 -0.192 3.808 3.960 0.065 0.000 0.286 470 G C 0.003 174.899 174.900 -0.006 0.000 1.115 470 G CA -0.242 44.857 45.100 -0.003 0.000 1.122 470 G HN 1.520 nan 8.290 nan 0.000 0.522 471 C N 2.068 121.354 119.300 -0.023 0.000 2.170 471 C HA 0.685 5.185 4.460 0.065 0.000 0.339 471 C C 2.105 177.086 174.990 -0.015 0.000 1.056 471 C CA 0.493 59.498 59.018 -0.021 0.000 1.535 471 C CB -0.830 26.878 27.740 -0.053 0.000 1.785 471 C HN 1.080 nan 8.230 nan 0.000 0.440 472 G N 3.496 112.296 108.800 0.000 0.000 2.491 472 G HA2 -0.226 3.773 3.960 0.065 0.000 0.218 472 G HA3 -0.226 3.773 3.960 0.065 0.000 0.218 472 G C 1.389 176.298 174.900 0.015 0.000 1.180 472 G CA 1.154 46.255 45.100 0.002 0.000 0.774 472 G HN 0.879 nan 8.290 nan 0.000 0.562 473 E N 0.779 120.998 120.200 0.032 0.000 2.526 473 E HA -0.077 4.312 4.350 0.065 0.000 0.205 473 E C 0.569 177.220 176.600 0.085 0.000 1.104 473 E CA 0.257 56.691 56.400 0.057 0.000 0.899 473 E CB -0.545 29.198 29.700 0.071 0.000 0.838 473 E HN 0.463 nan 8.360 nan 0.000 0.564 474 I N 1.342 121.949 120.570 0.061 0.000 2.342 474 I HA 0.142 4.351 4.170 0.065 0.000 0.291 474 I C 0.160 176.350 176.117 0.121 0.000 1.010 474 I CA -0.744 60.620 61.300 0.107 0.000 1.308 474 I CB 0.877 38.873 38.000 -0.008 0.000 1.400 474 I HN -0.303 nan 8.210 nan 0.000 0.488 475 K N 7.220 127.729 120.400 0.182 0.000 2.244 475 K HA 0.479 4.838 4.320 0.065 0.000 0.263 475 K C -0.493 176.204 176.600 0.162 0.000 1.103 475 K CA -0.061 56.305 56.287 0.132 0.000 0.966 475 K CB 0.371 32.931 32.500 0.099 0.000 1.429 475 K HN 0.443 nan 8.250 nan 0.000 0.434 476 I N 1.647 122.293 120.570 0.127 0.000 2.612 476 I HA 0.270 4.479 4.170 0.065 0.000 0.295 476 I C 0.100 176.212 176.117 -0.009 0.000 1.011 476 I CA -0.786 60.579 61.300 0.108 0.000 1.326 476 I CB 1.148 39.229 38.000 0.135 0.000 1.427 476 I HN 0.520 nan 8.210 nan 0.000 0.537 477 N N 2.992 121.610 118.700 -0.136 0.000 2.697 477 N HA 0.035 4.814 4.740 0.065 0.000 0.271 477 N C -0.037 175.290 175.510 -0.305 0.000 1.149 477 N CA -0.402 52.550 53.050 -0.163 0.000 0.939 477 N CB 1.366 39.786 38.487 -0.111 0.000 1.534 477 N HN 0.686 nan 8.380 nan 0.000 0.556 478 E N 1.955 122.026 120.200 -0.214 0.000 2.107 478 E HA -0.131 4.258 4.350 0.065 0.000 0.191 478 E C 0.142 176.655 176.600 -0.145 0.000 0.982 478 E CA 1.039 57.313 56.400 -0.210 0.000 0.809 478 E CB 0.302 29.968 29.700 -0.057 0.000 0.756 478 E HN 0.604 nan 8.360 nan 0.000 0.459 479 E N -0.018 120.124 120.200 -0.097 0.000 2.301 479 E HA -0.192 4.197 4.350 0.065 0.000 0.202 479 E C 1.141 177.700 176.600 -0.069 0.000 1.017 479 E CA 1.358 57.719 56.400 -0.064 0.000 0.831 479 E CB -0.102 29.570 29.700 -0.048 0.000 0.742 479 E HN 0.359 nan 8.360 nan 0.000 0.491 480 A N -0.830 121.924 122.820 -0.110 0.000 2.427 480 A HA 0.225 4.584 4.320 0.065 0.000 0.225 480 A C 0.073 177.568 177.584 -0.149 0.000 1.257 480 A CA -0.016 51.962 52.037 -0.099 0.000 0.985 480 A CB 0.291 19.236 19.000 -0.091 0.000 1.136 480 A HN 0.084 nan 8.150 nan 0.000 0.538 481 K N 1.118 121.346 120.400 -0.287 0.000 3.257 481 K HA -0.148 4.211 4.320 0.065 0.000 0.270 481 K C -0.089 176.103 176.600 -0.681 0.000 0.984 481 K CA 0.924 56.862 56.287 -0.582 0.000 0.739 481 K CB -2.129 30.305 32.500 -0.110 0.000 1.351 481 K HN 0.832 nan 8.250 nan 0.000 0.463 482 T N -1.999 112.186 114.554 -0.615 0.000 2.901 482 T HA 0.809 5.198 4.350 0.065 0.000 0.293 482 T C -0.488 174.201 174.700 -0.018 0.000 1.084 482 T CA -1.000 60.988 62.100 -0.186 0.000 1.008 482 T CB 1.823 70.647 68.868 -0.073 0.000 1.170 482 T HN 0.340 nan 8.240 nan 0.000 0.509 483 F N -1.042 119.047 119.950 0.232 0.000 2.629 483 F HA 0.906 5.472 4.527 0.065 0.000 0.316 483 F C -1.198 174.793 175.800 0.319 0.000 1.081 483 F CA -1.174 56.975 58.000 0.247 0.000 0.954 483 F CB 1.580 40.745 39.000 0.276 0.000 1.337 483 F HN 0.715 nan 8.300 nan 0.000 0.474 484 E N 2.122 122.630 120.200 0.515 0.000 2.292 484 E HA 0.663 5.052 4.350 0.065 0.000 0.272 484 E C -1.802 175.086 176.600 0.479 0.000 0.881 484 E CA -0.803 55.830 56.400 0.387 0.000 0.754 484 E CB 3.174 32.991 29.700 0.195 0.000 1.201 484 E HN 0.698 nan 8.360 nan 0.000 0.425 485 L N 1.266 122.801 121.223 0.519 0.000 2.505 485 L HA 0.403 4.782 4.340 0.065 0.000 0.266 485 L C 0.893 177.993 176.870 0.383 0.000 0.954 485 L CA -0.017 55.104 54.840 0.469 0.000 0.852 485 L CB 1.833 44.264 42.059 0.621 0.000 1.282 485 L HN 0.900 nan 8.230 nan 0.000 0.403 486 G N 2.609 111.555 108.800 0.243 0.000 2.934 486 G HA2 -0.335 3.664 3.960 0.065 0.000 0.231 486 G HA3 -0.335 3.664 3.960 0.065 0.000 0.231 486 G C 0.839 175.776 174.900 0.062 0.000 1.235 486 G CA 0.630 45.834 45.100 0.174 0.000 0.812 486 G HN 1.404 nan 8.290 nan 0.000 0.521 487 G N -1.854 106.957 108.800 0.018 0.000 4.491 487 G HA2 0.322 4.321 3.960 0.065 0.000 0.216 487 G HA3 0.322 4.321 3.960 0.065 0.000 0.216 487 G C -0.118 174.600 174.900 -0.304 0.000 0.705 487 G CA 0.581 45.570 45.100 -0.184 0.000 0.832 487 G HN 0.961 nan 8.290 nan 0.000 0.602 488 H N 0.769 119.805 119.070 -0.058 0.000 2.472 488 H HA 0.695 5.290 4.556 0.066 0.000 0.335 488 H C -0.338 174.755 175.328 -0.391 0.000 1.136 488 H CA -0.012 55.861 56.048 -0.292 0.000 1.264 488 H CB 1.655 31.147 29.762 -0.449 0.000 1.486 488 H HN 0.001 nan 8.280 nan 0.000 0.517 489 T N 3.169 117.488 114.554 -0.390 0.000 2.824 489 T HA 0.441 4.830 4.350 0.065 0.000 0.280 489 T C -0.810 173.538 174.700 -0.587 0.000 0.995 489 T CA -0.566 61.338 62.100 -0.327 0.000 1.009 489 T CB 0.295 69.072 68.868 -0.152 0.000 0.955 489 T HN 0.255 nan 8.240 nan 0.000 0.452 490 F N 0.707 120.424 119.950 -0.388 0.000 2.561 490 F HA 0.703 5.270 4.527 0.065 0.000 0.321 490 F C 0.340 176.033 175.800 -0.179 0.000 1.065 490 F CA -1.287 56.479 58.000 -0.390 0.000 0.934 490 F CB 1.746 40.253 39.000 -0.822 0.000 1.215 490 F HN 0.585 nan 8.300 nan 0.000 0.471 491 A N 1.510 124.421 122.820 0.152 0.000 3.410 491 A HA 0.556 4.915 4.320 0.065 0.000 0.276 491 A C -0.001 177.702 177.584 0.197 0.000 0.995 491 A CA -0.362 51.786 52.037 0.185 0.000 0.934 491 A CB -0.470 18.572 19.000 0.070 0.000 1.191 491 A HN 0.913 nan 8.150 nan 0.000 0.511 492 E N -0.837 119.503 120.200 0.234 0.000 3.547 492 E HA -0.201 4.188 4.350 0.065 0.000 0.309 492 E C 1.064 177.576 176.600 -0.147 0.000 0.855 492 E CA 0.534 56.895 56.400 -0.065 0.000 1.122 492 E CB -1.724 27.961 29.700 -0.025 0.000 1.569 492 E HN 1.011 nan 8.360 nan 0.000 0.429 493 G N 1.192 110.000 108.800 0.012 0.000 2.393 493 G HA2 -0.081 3.919 3.960 0.065 0.000 0.151 493 G HA3 -0.081 3.919 3.960 0.065 0.000 0.151 493 G C 0.146 175.048 174.900 0.004 0.000 1.696 493 G CA 0.847 45.979 45.100 0.052 0.000 1.004 493 G HN 0.214 nan 8.290 nan 0.000 0.430 494 D N -2.148 118.309 120.400 0.095 0.000 2.764 494 D HA 0.373 5.052 4.640 0.065 0.000 0.227 494 D C -2.033 174.355 176.300 0.146 0.000 1.347 494 D CA -0.419 53.625 54.000 0.073 0.000 0.953 494 D CB 1.806 42.632 40.800 0.044 0.000 1.476 494 D HN 0.160 nan 8.370 nan 0.000 0.585 495 Y N 3.079 123.369 120.300 -0.017 0.000 2.562 495 Y HA 0.689 5.278 4.550 0.065 0.000 0.343 495 Y C -1.112 174.784 175.900 -0.008 0.000 1.025 495 Y CA -0.576 57.503 58.100 -0.035 0.000 1.082 495 Y CB 1.410 39.795 38.460 -0.124 0.000 1.264 495 Y HN 0.327 nan 8.280 nan 0.000 0.478 496 I N 3.541 123.926 120.570 -0.309 0.000 2.656 496 I HA 0.579 4.788 4.170 0.065 0.000 0.292 496 I C -0.887 175.233 176.117 0.005 0.000 1.144 496 I CA -0.241 61.044 61.300 -0.025 0.000 1.038 496 I CB 2.264 40.220 38.000 -0.073 0.000 1.244 496 I HN 0.681 nan 8.210 nan 0.000 0.420 497 S N 5.827 121.693 115.700 0.277 0.000 2.790 497 S HA 0.936 5.445 4.470 0.065 0.000 0.292 497 S C -1.527 173.260 174.600 0.310 0.000 1.197 497 S CA -0.817 57.554 58.200 0.285 0.000 0.851 497 S CB 2.397 65.786 63.200 0.316 0.000 1.217 497 S HN 0.862 nan 8.310 nan 0.000 0.526 498 L N -1.254 120.091 121.223 0.203 0.000 2.724 498 L HA 0.671 5.051 4.340 0.065 0.000 0.258 498 L C -2.032 174.878 176.870 0.066 0.000 0.967 498 L CA -0.391 54.511 54.840 0.104 0.000 0.891 498 L CB 0.480 42.660 42.059 0.202 0.000 1.456 498 L HN 0.827 nan 8.230 nan 0.000 0.416 499 D N 1.034 121.444 120.400 0.017 0.000 2.374 499 D HA 0.650 5.330 4.640 0.065 0.000 0.240 499 D C 0.893 177.216 176.300 0.038 0.000 1.229 499 D CA 1.685 55.701 54.000 0.026 0.000 0.895 499 D CB 0.575 41.381 40.800 0.009 0.000 1.046 499 D HN 1.081 nan 8.370 nan 0.000 0.498 500 G N 1.742 110.575 108.800 0.055 0.000 4.112 500 G HA2 0.066 4.065 3.960 0.065 0.000 0.223 500 G HA3 0.066 4.065 3.960 0.065 0.000 0.223 500 G C 0.623 175.562 174.900 0.064 0.000 0.883 500 G CA 0.264 45.399 45.100 0.058 0.000 1.195 500 G HN 0.521 nan 8.290 nan 0.000 0.730 501 S N -1.578 114.161 115.700 0.065 0.000 1.405 501 S HA -0.280 4.229 4.470 0.065 0.000 0.246 501 S C 1.350 175.995 174.600 0.075 0.000 0.678 501 S CA 2.605 60.843 58.200 0.064 0.000 1.182 501 S CB -1.864 61.371 63.200 0.058 0.000 1.355 501 S HN 2.431 nan 8.310 nan 0.000 0.503 502 T N 0.953 115.555 114.554 0.080 0.000 2.926 502 T HA 0.528 4.917 4.350 0.065 0.000 0.307 502 T C 0.230 174.998 174.700 0.114 0.000 1.059 502 T CA 0.677 62.828 62.100 0.085 0.000 1.122 502 T CB 1.204 70.106 68.868 0.058 0.000 0.972 502 T HN 1.390 nan 8.240 nan 0.000 0.545 503 G N 2.949 111.824 108.800 0.126 0.000 2.707 503 G HA2 0.632 4.631 3.960 0.065 0.000 0.299 503 G HA3 0.632 4.631 3.960 0.065 0.000 0.299 503 G C -1.103 173.779 174.900 -0.029 0.000 1.442 503 G CA -1.120 44.096 45.100 0.193 0.000 1.009 503 G HN 0.972 nan 8.290 nan 0.000 0.515 504 K N 2.242 122.396 120.400 -0.409 0.000 2.466 504 K HA 0.604 4.963 4.320 0.065 0.000 0.260 504 K C -0.374 175.779 176.600 -0.744 0.000 1.011 504 K CA -1.020 55.008 56.287 -0.432 0.000 0.871 504 K CB 2.365 34.713 32.500 -0.253 0.000 1.404 504 K HN 0.396 nan 8.250 nan 0.000 0.450 511 E N 3.820 123.992 120.200 -0.046 0.000 2.259 511 E HA 0.347 4.736 4.350 0.065 0.000 0.281 511 E C -0.341 176.375 176.600 0.194 0.000 1.037 511 E CA -0.263 56.169 56.400 0.054 0.000 0.854 511 E CB 1.132 30.840 29.700 0.013 0.000 1.051 511 E HN 0.592 nan 8.360 nan 0.000 0.409 512 T N 1.257 115.930 114.554 0.198 0.000 2.922 512 T HA 0.234 4.623 4.350 0.065 0.000 0.285 512 T C 0.499 175.249 174.700 0.083 0.000 1.005 512 T CA -0.404 61.800 62.100 0.174 0.000 1.061 512 T CB 1.765 70.679 68.868 0.076 0.000 1.007 512 T HN 0.710 nan 8.240 nan 0.000 0.502 513 Q N 0.995 120.822 119.800 0.046 0.000 1.898 513 Q HA 0.509 4.888 4.340 0.065 0.000 0.153 513 Q C -0.140 175.854 176.000 -0.010 0.000 0.491 513 Q CA -0.689 55.128 55.803 0.023 0.000 0.755 513 Q CB 0.851 29.608 28.738 0.033 0.000 0.957 513 Q HN 0.761 nan 8.270 nan 0.000 0.334 514 E N -0.420 119.760 120.200 -0.033 0.000 2.401 514 E HA 0.575 4.964 4.350 0.065 0.000 0.280 514 E C -1.159 175.377 176.600 -0.108 0.000 1.039 514 E CA -0.158 56.197 56.400 -0.074 0.000 0.814 514 E CB 1.870 31.546 29.700 -0.041 0.000 1.275 514 E HN 0.531 nan 8.360 nan 0.000 0.448 515 A N 1.221 123.936 122.820 -0.176 0.000 2.116 515 A HA 0.328 4.687 4.320 0.065 0.000 0.330 515 A C 0.418 177.914 177.584 -0.147 0.000 1.457 515 A CA 1.095 53.016 52.037 -0.193 0.000 0.991 515 A CB -0.349 18.480 19.000 -0.287 0.000 1.198 515 A HN 1.289 nan 8.150 nan 0.000 0.544 516 S N -3.170 112.422 115.700 -0.181 0.000 4.667 516 S HA 0.094 4.603 4.470 0.065 0.000 0.039 516 S C -0.278 174.215 174.600 -0.178 0.000 0.861 516 S CA 0.019 58.134 58.200 -0.143 0.000 0.888 516 S CB -2.124 61.022 63.200 -0.090 0.000 0.394 516 S HN 2.232 nan 8.310 nan 0.000 0.800 517 V N 1.727 121.460 119.914 -0.301 0.000 2.814 517 V HA 0.353 4.512 4.120 0.065 0.000 0.298 517 V C 1.177 177.159 176.094 -0.186 0.000 1.195 517 V CA 0.418 62.475 62.300 -0.404 0.000 1.323 517 V CB -0.961 30.270 31.823 -0.987 0.000 0.842 517 V HN 1.681 nan 8.190 nan 0.000 0.494 518 S N 3.723 119.363 115.700 -0.100 0.000 2.589 518 S HA 0.245 4.754 4.470 0.065 0.000 0.256 518 S C 1.382 176.006 174.600 0.040 0.000 1.383 518 S CA 0.176 58.368 58.200 -0.013 0.000 0.983 518 S CB 0.661 63.872 63.200 0.018 0.000 0.908 518 S HN 1.851 nan 8.310 nan 0.000 0.572 519 G N -0.199 108.616 108.800 0.024 0.000 2.880 519 G HA2 0.092 4.091 3.960 0.065 0.000 0.209 519 G HA3 0.092 4.091 3.960 0.065 0.000 0.209 519 G C 1.275 176.167 174.900 -0.013 0.000 1.157 519 G CA 0.339 45.450 45.100 0.018 0.000 0.779 519 G HN 0.839 nan 8.290 nan 0.000 0.539 520 S N 0.280 115.984 115.700 0.006 0.000 2.446 520 S HA 0.027 4.537 4.470 0.065 0.000 0.225 520 S C 1.885 176.440 174.600 -0.075 0.000 1.016 520 S CA 0.227 58.392 58.200 -0.057 0.000 0.943 520 S CB -0.354 62.835 63.200 -0.019 0.000 0.786 520 S HN 0.316 nan 8.310 nan 0.000 0.508 521 F N 2.996 122.864 119.950 -0.136 0.000 2.102 521 F HA -0.051 4.515 4.527 0.065 0.000 0.298 521 F C 2.347 178.044 175.800 -0.172 0.000 1.105 521 F CA 1.637 59.558 58.000 -0.133 0.000 1.239 521 F CB -0.282 38.660 39.000 -0.096 0.000 0.991 521 F HN 0.117 nan 8.300 nan 0.000 0.474 522 E N 0.263 120.546 120.200 0.138 0.000 2.106 522 E HA -0.197 4.192 4.350 0.065 0.000 0.192 522 E C 2.168 178.593 176.600 -0.292 0.000 0.984 522 E CA 1.245 57.630 56.400 -0.025 0.000 0.806 522 E CB -0.247 29.493 29.700 0.068 0.000 0.750 522 E HN 0.541 nan 8.360 nan 0.000 0.458 523 R N 0.356 120.611 120.500 -0.407 0.000 2.189 523 R HA -0.020 4.360 4.340 0.065 0.000 0.218 523 R C 2.248 177.771 176.300 -1.295 0.000 1.074 523 R CA 0.485 56.116 56.100 -0.783 0.000 0.991 523 R CB -0.056 29.760 30.300 -0.806 0.000 0.883 523 R HN 0.134 nan 8.270 nan 0.000 0.457 524 I N 0.793 120.830 120.570 -0.888 0.000 2.133 524 I HA -0.194 4.015 4.170 0.065 0.000 0.238 524 I C 2.179 178.007 176.117 -0.483 0.000 1.074 524 I CA 1.341 62.223 61.300 -0.696 0.000 1.342 524 I CB -0.601 37.127 38.000 -0.452 0.000 1.053 524 I HN 0.152 nan 8.210 nan 0.000 0.404 525 M N 0.191 119.467 119.600 -0.540 0.000 2.260 525 M HA -0.153 4.366 4.480 0.065 0.000 0.261 525 M C 2.278 178.437 176.300 -0.235 0.000 1.066 525 M CA 1.249 56.307 55.300 -0.404 0.000 1.082 525 M CB -1.334 30.994 32.600 -0.452 0.000 1.388 525 M HN 0.030 nan 8.290 nan 0.000 0.419 526 V N -1.699 118.036 119.914 -0.299 0.000 2.302 526 V HA -0.207 3.953 4.120 0.065 0.000 0.243 526 V C 2.060 178.105 176.094 -0.082 0.000 1.036 526 V CA 1.317 63.499 62.300 -0.196 0.000 1.020 526 V CB -0.582 31.115 31.823 -0.209 0.000 0.657 526 V HN 0.421 nan 8.190 nan 0.000 0.453 527 W N 0.466 121.708 121.300 -0.096 0.000 2.350 527 W HA -0.121 4.578 4.660 0.065 0.000 0.289 527 W C 2.635 179.092 176.519 -0.103 0.000 1.215 527 W CA 1.185 58.456 57.345 -0.123 0.000 1.236 527 W CB -1.666 27.871 29.460 0.129 0.000 1.130 527 W HN 0.324 nan 8.180 nan 0.000 0.541 528 A N 1.442 124.385 122.820 0.205 0.000 1.842 528 A HA -0.260 4.099 4.320 0.065 0.000 0.217 528 A C 1.777 179.401 177.584 0.068 0.000 1.206 528 A CA 2.435 54.571 52.037 0.165 0.000 0.630 528 A CB -1.218 17.800 19.000 0.030 0.000 0.839 528 A HN 0.161 nan 8.150 nan 0.000 0.447 529 D N -0.027 120.368 120.400 -0.009 0.000 2.292 529 D HA -0.174 4.505 4.640 0.065 0.000 0.205 529 D C 1.676 177.909 176.300 -0.111 0.000 0.994 529 D CA 1.658 55.637 54.000 -0.035 0.000 0.897 529 D CB -0.280 40.498 40.800 -0.037 0.000 0.907 529 D HN 0.673 nan 8.370 nan 0.000 0.467 530 K N -0.816 119.409 120.400 -0.291 0.000 2.365 530 K HA 0.040 4.399 4.320 0.065 0.000 0.197 530 K C 1.192 177.562 176.600 -0.383 0.000 1.042 530 K CA 0.414 56.439 56.287 -0.437 0.000 0.987 530 K CB 0.141 32.185 32.500 -0.759 0.000 0.779 530 K HN 0.183 nan 8.250 nan 0.000 0.484 531 F N 1.506 121.496 119.950 0.067 0.000 2.694 531 F HA 0.135 4.701 4.527 0.065 0.000 0.292 531 F C 0.689 176.526 175.800 0.062 0.000 1.121 531 F CA -0.786 57.246 58.000 0.053 0.000 1.352 531 F CB -0.133 38.892 39.000 0.042 0.000 1.107 531 F HN -0.144 nan 8.300 nan 0.000 0.597 532 R N 1.052 121.674 120.500 0.204 0.000 2.449 532 R HA 0.200 4.579 4.340 0.065 0.000 0.296 532 R C 0.900 177.293 176.300 0.155 0.000 1.047 532 R CA 0.769 56.972 56.100 0.171 0.000 1.018 532 R CB 0.267 30.647 30.300 0.133 0.000 0.962 532 R HN 0.234 nan 8.270 nan 0.000 0.428 533 T N 1.584 116.256 114.554 0.198 0.000 2.939 533 T HA 0.076 4.465 4.350 0.065 0.000 0.254 533 T C 0.898 175.665 174.700 0.112 0.000 1.041 533 T CA -0.037 62.147 62.100 0.139 0.000 1.142 533 T CB -0.072 68.863 68.868 0.111 0.000 0.874 533 T HN 0.379 nan 8.240 nan 0.000 0.452 534 L N 2.208 123.518 121.223 0.146 0.000 2.485 534 L HA 0.246 4.625 4.340 0.065 0.000 0.275 534 L C 0.666 177.615 176.870 0.131 0.000 1.207 534 L CA -0.381 54.538 54.840 0.131 0.000 0.855 534 L CB 0.311 42.463 42.059 0.154 0.000 1.114 534 L HN 0.061 nan 8.230 nan 0.000 0.485 535 K N 1.882 122.369 120.400 0.145 0.000 2.102 535 K HA 0.512 4.871 4.320 0.065 0.000 0.244 535 K C -0.706 175.986 176.600 0.154 0.000 1.021 535 K CA -0.533 55.826 56.287 0.121 0.000 0.913 535 K CB 1.479 34.029 32.500 0.084 0.000 1.062 535 K HN 0.248 nan 8.250 nan 0.000 0.485 536 V N 3.253 123.230 119.914 0.106 0.000 2.385 536 V HA 0.293 4.452 4.120 0.065 0.000 0.277 536 V C 0.089 176.226 176.094 0.072 0.000 1.012 536 V CA -0.802 61.568 62.300 0.117 0.000 0.832 536 V CB 1.005 32.886 31.823 0.096 0.000 1.028 536 V HN 0.577 nan 8.190 nan 0.000 0.436 537 R N 1.595 122.139 120.500 0.072 0.000 2.549 537 R HA 0.722 5.101 4.340 0.065 0.000 0.259 537 R C 0.060 176.393 176.300 0.056 0.000 1.095 537 R CA -0.551 55.549 56.100 0.001 0.000 1.148 537 R CB 1.463 31.678 30.300 -0.142 0.000 1.181 537 R HN 0.557 nan 8.270 nan 0.000 0.571 538 T N -0.524 114.047 114.554 0.029 0.000 2.841 538 T HA 0.340 4.729 4.350 0.065 0.000 0.276 538 T C -0.988 173.736 174.700 0.041 0.000 1.003 538 T CA -0.762 61.358 62.100 0.033 0.000 0.995 538 T CB 0.954 69.820 68.868 -0.003 0.000 1.260 538 T HN 0.475 nan 8.240 nan 0.000 0.581 539 N N 0.643 119.360 118.700 0.028 0.000 2.531 539 N HA 0.708 5.488 4.740 0.065 0.000 0.268 539 N C -1.483 174.023 175.510 -0.005 0.000 1.023 539 N CA -0.340 52.732 53.050 0.036 0.000 0.896 539 N CB 1.696 40.212 38.487 0.049 0.000 1.233 539 N HN 0.824 nan 8.380 nan 0.000 0.512 540 A N 1.112 123.928 122.820 -0.007 0.000 2.594 540 A HA 0.577 4.936 4.320 0.065 0.000 0.295 540 A C -0.987 176.578 177.584 -0.032 0.000 1.071 540 A CA -0.628 51.383 52.037 -0.044 0.000 0.685 540 A CB 1.198 20.165 19.000 -0.055 0.000 1.285 540 A HN 0.454 nan 8.150 nan 0.000 0.405 541 D N 0.234 120.577 120.400 -0.095 0.000 2.500 541 D HA 0.249 4.928 4.640 0.065 0.000 0.217 541 D C -0.172 176.004 176.300 -0.207 0.000 1.159 541 D CA 0.684 54.595 54.000 -0.148 0.000 0.828 541 D CB 1.298 41.880 40.800 -0.364 0.000 1.039 541 D HN 0.412 nan 8.370 nan 0.000 0.512 542 T N -0.022 114.450 114.554 -0.137 0.000 2.864 542 T HA 0.316 4.705 4.350 0.065 0.000 0.299 542 T C -2.163 172.499 174.700 -0.064 0.000 1.166 542 T CA -1.390 60.648 62.100 -0.103 0.000 1.007 542 T CB 2.811 71.602 68.868 -0.129 0.000 1.219 542 T HN -0.333 nan 8.240 nan 0.000 0.506 543 P HA 0.011 nan 4.420 nan 0.000 0.219 543 P C 1.342 178.623 177.300 -0.032 0.000 1.154 543 P CA 0.725 63.808 63.100 -0.028 0.000 0.826 543 P CB 0.213 31.905 31.700 -0.012 0.000 0.795 544 E N 0.713 120.892 120.200 -0.036 0.000 2.058 544 E HA -0.211 4.178 4.350 0.065 0.000 0.194 544 E C 1.408 177.971 176.600 -0.061 0.000 0.997 544 E CA 1.279 57.657 56.400 -0.036 0.000 0.801 544 E CB -1.466 28.215 29.700 -0.030 0.000 0.746 544 E HN 0.291 nan 8.360 nan 0.000 0.450 545 D N 0.870 121.219 120.400 -0.086 0.000 2.144 545 D HA -0.089 4.590 4.640 0.065 0.000 0.199 545 D C 1.928 178.164 176.300 -0.107 0.000 0.984 545 D CA 1.617 55.540 54.000 -0.129 0.000 0.834 545 D CB -0.322 40.394 40.800 -0.141 0.000 0.955 545 D HN 0.203 nan 8.370 nan 0.000 0.465 546 T N 1.319 115.831 114.554 -0.071 0.000 2.821 546 T HA -0.048 4.341 4.350 0.065 0.000 0.267 546 T C 2.222 176.899 174.700 -0.037 0.000 1.046 546 T CA 0.356 62.426 62.100 -0.049 0.000 1.139 546 T CB -0.135 68.715 68.868 -0.030 0.000 0.871 546 T HN 0.127 nan 8.240 nan 0.000 0.454 547 L N 1.084 122.288 121.223 -0.032 0.000 2.083 547 L HA -0.115 4.264 4.340 0.065 0.000 0.209 547 L C 2.566 179.429 176.870 -0.013 0.000 1.083 547 L CA 0.949 55.780 54.840 -0.015 0.000 0.752 547 L CB -0.510 41.544 42.059 -0.007 0.000 0.899 547 L HN 0.232 nan 8.230 nan 0.000 0.433 548 N N 0.190 118.868 118.700 -0.037 0.000 2.120 548 N HA -0.143 4.636 4.740 0.065 0.000 0.188 548 N C 1.833 177.328 175.510 -0.025 0.000 1.024 548 N CA 1.595 54.626 53.050 -0.031 0.000 0.852 548 N CB -0.204 38.203 38.487 -0.133 0.000 1.003 548 N HN 0.309 nan 8.380 nan 0.000 0.424 549 A N 0.672 123.454 122.820 -0.063 0.000 1.897 549 A HA -0.010 4.349 4.320 0.065 0.000 0.215 549 A C 2.508 180.097 177.584 0.008 0.000 1.181 549 A CA 0.888 52.905 52.037 -0.034 0.000 0.620 549 A CB -0.713 18.258 19.000 -0.049 0.000 0.821 549 A HN 0.084 nan 8.150 nan 0.000 0.443 550 V N 0.527 120.442 119.914 0.001 0.000 2.392 550 V HA -0.285 3.874 4.120 0.065 0.000 0.249 550 V C 2.553 178.663 176.094 0.027 0.000 1.059 550 V CA 2.441 64.748 62.300 0.013 0.000 1.051 550 V CB -0.596 31.232 31.823 0.009 0.000 0.658 550 V HN 0.732 nan 8.190 nan 0.000 0.455 551 K N -0.155 120.263 120.400 0.030 0.000 2.155 551 K HA -0.058 4.301 4.320 0.065 0.000 0.203 551 K C 1.860 178.502 176.600 0.069 0.000 1.052 551 K CA 1.182 57.495 56.287 0.044 0.000 0.948 551 K CB -0.079 32.445 32.500 0.041 0.000 0.728 551 K HN 0.440 nan 8.250 nan 0.000 0.448 552 L N -0.456 120.818 121.223 0.086 0.000 2.554 552 L HA 0.155 4.534 4.340 0.065 0.000 0.226 552 L C 0.982 177.922 176.870 0.117 0.000 1.137 552 L CA 0.562 55.482 54.840 0.133 0.000 0.863 552 L CB 0.317 42.478 42.059 0.171 0.000 0.985 552 L HN 0.572 nan 8.230 nan 0.000 0.451 553 G N -0.251 108.594 108.800 0.075 0.000 2.148 553 G HA2 -0.142 3.858 3.960 0.065 0.000 0.157 553 G HA3 -0.142 3.858 3.960 0.065 0.000 0.157 553 G C 0.291 175.218 174.900 0.045 0.000 1.012 553 G CA -0.270 44.864 45.100 0.058 0.000 0.677 553 G HN 0.387 nan 8.290 nan 0.000 0.506 554 A N 0.078 122.920 122.820 0.038 0.000 2.511 554 A HA 0.575 4.934 4.320 0.065 0.000 0.242 554 A C 0.862 178.453 177.584 0.012 0.000 1.069 554 A CA 0.887 52.939 52.037 0.025 0.000 0.763 554 A CB 0.197 19.204 19.000 0.011 0.000 1.001 554 A HN 0.483 nan 8.150 nan 0.000 0.498 555 E N 1.130 121.333 120.200 0.004 0.000 2.437 555 E HA 0.400 4.789 4.350 0.065 0.000 0.195 555 E C 0.730 177.304 176.600 -0.044 0.000 1.029 555 E CA 0.475 56.867 56.400 -0.012 0.000 0.948 555 E CB 0.217 29.913 29.700 -0.007 0.000 1.082 555 E HN 1.043 nan 8.360 nan 0.000 0.456 556 G N 0.728 109.502 108.800 -0.043 0.000 2.334 556 G HA2 0.074 4.073 3.960 0.065 0.000 0.249 556 G HA3 0.074 4.073 3.960 0.065 0.000 0.249 556 G C -1.585 173.281 174.900 -0.056 0.000 1.327 556 G CA -1.046 44.018 45.100 -0.059 0.000 0.979 556 G HN 0.053 nan 8.290 nan 0.000 0.471 557 I N 1.184 121.711 120.570 -0.073 0.000 2.533 557 I HA 0.544 4.753 4.170 0.065 0.000 0.290 557 I C 1.068 177.149 176.117 -0.060 0.000 1.056 557 I CA -0.230 61.048 61.300 -0.037 0.000 1.057 557 I CB 2.138 40.135 38.000 -0.004 0.000 1.240 557 I HN 0.864 nan 8.210 nan 0.000 0.423 558 G N 5.495 114.304 108.800 0.015 0.000 2.939 558 G HA2 0.284 4.283 3.960 0.065 0.000 0.216 558 G HA3 0.284 4.283 3.960 0.065 0.000 0.216 558 G C -0.130 174.869 174.900 0.166 0.000 1.125 558 G CA 0.281 45.447 45.100 0.110 0.000 0.766 558 G HN 0.364 nan 8.290 nan 0.000 0.541 559 L N 0.756 122.056 121.223 0.128 0.000 2.680 559 L HA 0.495 4.874 4.340 0.065 0.000 0.260 559 L C -1.197 175.750 176.870 0.129 0.000 0.975 559 L CA -1.131 53.798 54.840 0.148 0.000 0.920 559 L CB 1.017 43.172 42.059 0.159 0.000 1.234 559 L HN -0.043 nan 8.230 nan 0.000 0.429 560 C N 5.628 125.022 119.300 0.157 0.000 2.255 560 C HA 0.677 5.177 4.460 0.065 0.000 0.326 560 C C 0.352 175.489 174.990 0.246 0.000 1.258 560 C CA -0.491 58.634 59.018 0.179 0.000 1.676 560 C CB 0.233 28.093 27.740 0.200 0.000 2.314 560 C HN 0.880 nan 8.230 nan 0.000 0.509 561 R N 3.567 124.209 120.500 0.237 0.000 2.404 561 R HA 0.372 4.751 4.340 0.065 0.000 0.291 561 R C 1.117 177.658 176.300 0.400 0.000 1.025 561 R CA 0.158 56.428 56.100 0.283 0.000 0.991 561 R CB 1.111 31.545 30.300 0.224 0.000 1.053 561 R HN 0.878 nan 8.270 nan 0.000 0.479 562 T N -2.120 112.664 114.554 0.383 0.000 3.092 562 T HA 0.103 4.492 4.350 0.065 0.000 0.258 562 T C 0.703 175.654 174.700 0.418 0.000 1.031 562 T CA -0.192 62.139 62.100 0.384 0.000 0.925 562 T CB 0.223 69.344 68.868 0.422 0.000 1.036 562 T HN 0.414 nan 8.240 nan 0.000 0.544 563 E N 2.116 122.584 120.200 0.447 0.000 2.106 563 E HA -0.097 4.292 4.350 0.065 0.000 0.192 563 E C 1.713 178.668 176.600 0.592 0.000 0.984 563 E CA 1.633 58.340 56.400 0.512 0.000 0.806 563 E CB -0.567 29.477 29.700 0.572 0.000 0.750 563 E HN 0.992 nan 8.360 nan 0.000 0.458 564 H N -0.678 118.629 119.070 0.395 0.000 2.489 564 H HA -0.004 4.591 4.556 0.064 0.000 0.293 564 H C 1.584 177.035 175.328 0.205 0.000 1.066 564 H CA 1.214 57.453 56.048 0.319 0.000 1.305 564 H CB -0.284 29.576 29.762 0.163 0.000 1.386 564 H HN 0.108 nan 8.280 nan 0.000 0.551 565 M N -0.255 119.081 119.600 -0.440 0.000 2.557 565 M HA 0.041 4.560 4.480 0.065 0.000 0.259 565 M C 0.537 176.586 176.300 -0.419 0.000 1.086 565 M CA 0.994 55.980 55.300 -0.525 0.000 1.096 565 M CB 0.126 32.335 32.600 -0.652 0.000 1.424 565 M HN 0.279 nan 8.290 nan 0.000 0.488 566 F N -2.131 117.707 119.950 -0.186 0.000 2.727 566 F HA 0.211 4.781 4.527 0.071 0.000 0.302 566 F C 1.514 177.209 175.800 -0.175 0.000 1.107 566 F CA -0.050 57.795 58.000 -0.257 0.000 1.277 566 F CB -0.079 38.648 39.000 -0.455 0.000 1.079 566 F HN -0.085 nan 8.300 nan 0.000 0.594 567 F N 0.904 121.037 119.950 0.306 0.000 2.179 567 F HA 0.066 4.629 4.527 0.060 0.000 0.292 567 F C 1.079 176.933 175.800 0.090 0.000 1.089 567 F CA 0.102 58.231 58.000 0.216 0.000 1.295 567 F CB -0.807 38.296 39.000 0.172 0.000 1.041 567 F HN -0.225 nan 8.300 nan 0.000 0.487 568 E N 0.264 120.606 120.200 0.236 0.000 2.708 568 E HA -0.012 4.377 4.350 0.065 0.000 0.260 568 E C 1.284 177.911 176.600 0.046 0.000 0.937 568 E CA 0.222 56.692 56.400 0.117 0.000 0.953 568 E CB 0.485 30.232 29.700 0.078 0.000 0.915 568 E HN 0.295 nan 8.360 nan 0.000 0.487 569 A N 4.587 127.432 122.820 0.043 0.000 1.915 569 A HA -0.276 4.084 4.320 0.065 0.000 0.220 569 A C 1.354 178.912 177.584 -0.045 0.000 1.198 569 A CA 1.913 53.955 52.037 0.010 0.000 0.647 569 A CB -0.295 18.713 19.000 0.012 0.000 0.825 569 A HN 0.666 nan 8.150 nan 0.000 0.456 570 D N -1.183 119.185 120.400 -0.052 0.000 2.368 570 D HA 0.052 4.731 4.640 0.065 0.000 0.250 570 D C 1.465 177.580 176.300 -0.307 0.000 1.142 570 D CA 0.608 54.546 54.000 -0.103 0.000 0.925 570 D CB 0.001 40.800 40.800 -0.002 0.000 0.896 570 D HN 0.590 nan 8.370 nan 0.000 0.525 571 R N -1.179 119.153 120.500 -0.281 0.000 2.702 571 R HA 0.142 4.521 4.340 0.065 0.000 0.223 571 R C 1.724 177.878 176.300 -0.243 0.000 0.953 571 R CA -0.334 55.521 56.100 -0.409 0.000 1.068 571 R CB 0.114 30.186 30.300 -0.380 0.000 1.600 571 R HN -0.059 nan 8.270 nan 0.000 0.602 572 I N 1.780 122.283 120.570 -0.112 0.000 2.151 572 I HA -0.319 3.890 4.170 0.065 0.000 0.243 572 I C 1.868 177.945 176.117 -0.067 0.000 1.080 572 I CA 1.758 63.037 61.300 -0.034 0.000 1.339 572 I CB 0.074 38.107 38.000 0.055 0.000 1.039 572 I HN 0.140 nan 8.210 nan 0.000 0.409 573 M N -0.453 119.094 119.600 -0.088 0.000 2.202 573 M HA -0.226 4.294 4.480 0.065 0.000 0.262 573 M C 2.174 178.410 176.300 -0.105 0.000 1.063 573 M CA 1.628 56.878 55.300 -0.084 0.000 1.097 573 M CB -1.224 31.332 32.600 -0.073 0.000 1.382 573 M HN 0.145 nan 8.290 nan 0.000 0.413 574 K N 0.710 121.021 120.400 -0.150 0.000 2.032 574 K HA -0.128 4.231 4.320 0.065 0.000 0.209 574 K C 1.859 178.374 176.600 -0.141 0.000 1.048 574 K CA 1.113 57.307 56.287 -0.155 0.000 0.927 574 K CB -0.617 31.753 32.500 -0.216 0.000 0.712 574 K HN 0.152 nan 8.250 nan 0.000 0.441 575 I N 1.347 121.828 120.570 -0.149 0.000 2.394 575 I HA -0.186 4.024 4.170 0.065 0.000 0.251 575 I C 1.527 177.549 176.117 -0.160 0.000 1.136 575 I CA 1.338 62.531 61.300 -0.179 0.000 1.425 575 I CB -0.057 37.782 38.000 -0.268 0.000 1.079 575 I HN 0.065 nan 8.210 nan 0.000 0.425 576 R N 0.301 120.738 120.500 -0.105 0.000 2.115 576 R HA -0.098 4.281 4.340 0.065 0.000 0.226 576 R C 2.143 178.393 176.300 -0.083 0.000 1.100 576 R CA 1.070 57.123 56.100 -0.078 0.000 0.980 576 R CB -0.463 29.806 30.300 -0.053 0.000 0.875 576 R HN 0.384 nan 8.270 nan 0.000 0.445 577 K N 0.752 121.099 120.400 -0.088 0.000 2.031 577 K HA -0.016 4.343 4.320 0.065 0.000 0.205 577 K C 2.208 178.752 176.600 -0.094 0.000 1.049 577 K CA 0.981 57.221 56.287 -0.079 0.000 0.939 577 K CB -0.157 32.298 32.500 -0.074 0.000 0.717 577 K HN 0.051 nan 8.250 nan 0.000 0.438 578 M N 1.339 120.866 119.600 -0.121 0.000 2.144 578 M HA -0.215 4.304 4.480 0.065 0.000 0.260 578 M C 1.870 178.057 176.300 -0.189 0.000 1.067 578 M CA 1.790 56.997 55.300 -0.155 0.000 1.095 578 M CB -0.297 32.192 32.600 -0.186 0.000 1.365 578 M HN 0.141 nan 8.290 nan 0.000 0.406 579 I N 0.328 120.793 120.570 -0.175 0.000 2.133 579 I HA -0.331 3.878 4.170 0.065 0.000 0.238 579 I C 2.247 178.306 176.117 -0.097 0.000 1.074 579 I CA 1.120 62.325 61.300 -0.159 0.000 1.342 579 I CB -0.462 37.469 38.000 -0.115 0.000 1.053 579 I HN 0.269 nan 8.210 nan 0.000 0.404 580 L N -0.045 121.135 121.223 -0.071 0.000 2.362 580 L HA -0.057 4.322 4.340 0.065 0.000 0.219 580 L C 1.309 178.157 176.870 -0.036 0.000 1.134 580 L CA 0.119 54.934 54.840 -0.042 0.000 0.807 580 L CB -0.624 41.412 42.059 -0.039 0.000 0.927 580 L HN 0.120 nan 8.230 nan 0.000 0.447 581 S N -0.102 115.567 115.700 -0.051 0.000 2.576 581 S HA -0.057 4.452 4.470 0.065 0.000 0.272 581 S C 0.755 175.344 174.600 -0.018 0.000 1.352 581 S CA -0.222 57.956 58.200 -0.036 0.000 1.021 581 S CB 0.845 64.016 63.200 -0.047 0.000 0.887 581 S HN 0.193 nan 8.310 nan 0.000 0.542 582 D N -0.011 120.389 120.400 -0.001 0.000 2.441 582 D HA 0.152 4.831 4.640 0.065 0.000 0.210 582 D C 0.079 176.396 176.300 0.029 0.000 1.102 582 D CA 0.257 54.268 54.000 0.018 0.000 0.840 582 D CB 0.478 41.289 40.800 0.018 0.000 0.990 582 D HN 0.488 nan 8.370 nan 0.000 0.505 583 S N -0.964 114.749 115.700 0.022 0.000 2.536 583 S HA 0.312 4.821 4.470 0.065 0.000 0.287 583 S C 1.171 175.791 174.600 0.034 0.000 1.101 583 S CA -0.677 57.541 58.200 0.031 0.000 0.950 583 S CB 2.001 65.214 63.200 0.021 0.000 1.056 583 S HN -0.193 nan 8.310 nan 0.000 0.481 584 V N 1.960 121.906 119.914 0.052 0.000 2.568 584 V HA -0.205 3.954 4.120 0.065 0.000 0.253 584 V C 2.552 178.666 176.094 0.033 0.000 1.072 584 V CA 2.380 64.715 62.300 0.058 0.000 1.084 584 V CB -1.707 30.161 31.823 0.075 0.000 0.676 584 V HN 1.013 nan 8.190 nan 0.000 0.469 585 E N 2.143 122.358 120.200 0.024 0.000 2.152 585 E HA -0.039 4.350 4.350 0.065 0.000 0.192 585 E C 1.995 178.597 176.600 0.005 0.000 0.983 585 E CA 1.393 57.802 56.400 0.015 0.000 0.818 585 E CB -0.582 29.125 29.700 0.013 0.000 0.758 585 E HN 0.473 nan 8.360 nan 0.000 0.467 586 A N 0.980 123.801 122.820 0.001 0.000 1.970 586 A HA 0.028 4.387 4.320 0.065 0.000 0.216 586 A C 2.269 179.839 177.584 -0.023 0.000 1.170 586 A CA 1.136 53.167 52.037 -0.010 0.000 0.645 586 A CB -0.428 18.565 19.000 -0.011 0.000 0.816 586 A HN 0.196 nan 8.150 nan 0.000 0.447 587 R N -0.292 120.194 120.500 -0.023 0.000 2.073 587 R HA -0.112 4.267 4.340 0.065 0.000 0.229 587 R C 2.055 178.332 176.300 -0.038 0.000 1.120 587 R CA 1.615 57.687 56.100 -0.047 0.000 0.967 587 R CB -0.225 30.049 30.300 -0.043 0.000 0.862 587 R HN 0.612 nan 8.270 nan 0.000 0.436 588 E N 0.416 120.610 120.200 -0.010 0.000 2.058 588 E HA -0.211 4.178 4.350 0.065 0.000 0.194 588 E C 1.826 178.419 176.600 -0.012 0.000 0.997 588 E CA 1.574 57.972 56.400 -0.002 0.000 0.801 588 E CB 0.089 29.796 29.700 0.010 0.000 0.746 588 E HN 0.334 nan 8.360 nan 0.000 0.450 589 E N -0.423 119.769 120.200 -0.013 0.000 2.077 589 E HA -0.232 4.157 4.350 0.065 0.000 0.193 589 E C 2.007 178.591 176.600 -0.027 0.000 0.989 589 E CA 0.794 57.185 56.400 -0.015 0.000 0.800 589 E CB -0.123 29.569 29.700 -0.013 0.000 0.746 589 E HN 0.323 nan 8.360 nan 0.000 0.452 590 A N 1.412 124.208 122.820 -0.040 0.000 1.865 590 A HA -0.213 4.147 4.320 0.065 0.000 0.217 590 A C 2.217 179.761 177.584 -0.067 0.000 1.191 590 A CA 1.204 53.206 52.037 -0.058 0.000 0.623 590 A CB -0.848 18.107 19.000 -0.074 0.000 0.826 590 A HN 0.194 nan 8.150 nan 0.000 0.444 591 L N -0.661 120.526 121.223 -0.060 0.000 1.978 591 L HA -0.333 4.046 4.340 0.065 0.000 0.218 591 L C 2.412 179.252 176.870 -0.050 0.000 1.075 591 L CA 2.207 57.013 54.840 -0.056 0.000 0.767 591 L CB -0.994 41.046 42.059 -0.032 0.000 0.890 591 L HN 0.521 nan 8.230 nan 0.000 0.434 592 N N -0.184 118.500 118.700 -0.027 0.000 2.089 592 N HA -0.277 4.502 4.740 0.065 0.000 0.198 592 N C 1.579 177.094 175.510 0.008 0.000 1.017 592 N CA 1.962 55.006 53.050 -0.011 0.000 0.880 592 N CB -0.231 38.253 38.487 -0.005 0.000 1.042 592 N HN 0.428 nan 8.380 nan 0.000 0.446 593 E N 0.316 120.521 120.200 0.008 0.000 2.171 593 E HA -0.188 4.201 4.350 0.065 0.000 0.197 593 E C 1.783 178.470 176.600 0.143 0.000 0.997 593 E CA 0.819 57.259 56.400 0.065 0.000 0.810 593 E CB -0.218 29.494 29.700 0.021 0.000 0.738 593 E HN 0.451 nan 8.360 nan 0.000 0.467 594 L N 0.689 121.911 121.223 -0.002 0.000 2.217 594 L HA -0.098 4.281 4.340 0.065 0.000 0.211 594 L C 2.371 179.300 176.870 0.098 0.000 1.107 594 L CA 0.313 55.141 54.840 -0.021 0.000 0.783 594 L CB -0.243 41.642 42.059 -0.290 0.000 0.919 594 L HN 0.171 nan 8.230 nan 0.000 0.442 595 I N 0.701 121.291 120.570 0.034 0.000 2.143 595 I HA -0.288 3.921 4.170 0.065 0.000 0.245 595 I C -0.196 175.937 176.117 0.027 0.000 1.068 595 I CA 1.887 63.196 61.300 0.015 0.000 1.326 595 I CB -1.495 36.508 38.000 0.005 0.000 1.028 595 I HN 0.274 nan 8.210 nan 0.000 0.412 596 P HA -0.160 nan 4.420 nan 0.000 0.216 596 P C 1.654 178.841 177.300 -0.189 0.000 1.153 596 P CA 1.745 64.772 63.100 -0.121 0.000 0.848 596 P CB -0.222 31.318 31.700 -0.267 0.000 0.787 597 F N 0.304 120.181 119.950 -0.123 0.000 2.186 597 F HA -0.066 4.501 4.527 0.067 0.000 0.299 597 F C 2.774 178.459 175.800 -0.192 0.000 1.090 597 F CA 1.233 59.145 58.000 -0.147 0.000 1.307 597 F CB -1.261 37.636 39.000 -0.173 0.000 1.019 597 F HN -0.060 nan 8.300 nan 0.000 0.489 598 Q N 0.328 120.128 119.800 0.000 0.000 2.033 598 Q HA -0.179 4.200 4.340 0.065 0.000 0.196 598 Q C 2.192 178.147 176.000 -0.074 0.000 0.970 598 Q CA 1.126 56.832 55.803 -0.162 0.000 0.828 598 Q CB -0.382 28.247 28.738 -0.182 0.000 0.895 598 Q HN 0.328 nan 8.270 nan 0.000 0.440 599 K N 0.495 120.934 120.400 0.066 0.000 2.293 599 K HA -0.182 4.177 4.320 0.065 0.000 0.204 599 K C 1.842 178.490 176.600 0.080 0.000 1.045 599 K CA 1.356 57.732 56.287 0.148 0.000 0.933 599 K CB -0.252 32.294 32.500 0.078 0.000 0.736 599 K HN 0.291 nan 8.250 nan 0.000 0.463 600 G N 0.174 108.961 108.800 -0.021 0.000 2.430 600 G HA2 -0.174 3.825 3.960 0.065 0.000 0.216 600 G HA3 -0.174 3.825 3.960 0.065 0.000 0.216 600 G C 0.885 175.751 174.900 -0.057 0.000 1.146 600 G CA 0.608 45.686 45.100 -0.037 0.000 0.793 600 G HN 0.288 nan 8.290 nan 0.000 0.537 601 D N 0.582 120.876 120.400 -0.176 0.000 2.117 601 D HA -0.050 4.629 4.640 0.065 0.000 0.198 601 D C 1.999 178.125 176.300 -0.290 0.000 0.982 601 D CA 0.536 54.358 54.000 -0.297 0.000 0.828 601 D CB -0.310 40.182 40.800 -0.513 0.000 0.967 601 D HN 0.283 nan 8.370 nan 0.000 0.464 602 F N 1.314 121.259 119.950 -0.008 0.000 2.259 602 F HA 0.020 4.586 4.527 0.064 0.000 0.298 602 F C 2.217 178.053 175.800 0.060 0.000 1.088 602 F CA 0.666 58.634 58.000 -0.052 0.000 1.358 602 F CB -0.220 38.814 39.000 0.058 0.000 1.040 602 F HN -0.117 nan 8.300 nan 0.000 0.505 603 K N 0.015 120.578 120.400 0.272 0.000 2.001 603 K HA -0.071 4.288 4.320 0.065 0.000 0.208 603 K C 2.358 179.055 176.600 0.161 0.000 1.048 603 K CA 1.197 57.632 56.287 0.246 0.000 0.932 603 K CB -0.574 32.011 32.500 0.141 0.000 0.715 603 K HN 0.168 nan 8.250 nan 0.000 0.437 604 A N 1.424 124.289 122.820 0.075 0.000 1.978 604 A HA -0.194 4.166 4.320 0.065 0.000 0.220 604 A C 2.117 179.732 177.584 0.051 0.000 1.170 604 A CA 1.491 53.556 52.037 0.048 0.000 0.636 604 A CB -0.400 18.607 19.000 0.012 0.000 0.810 604 A HN 0.170 nan 8.150 nan 0.000 0.448 605 M N -1.856 117.763 119.600 0.031 0.000 2.077 605 M HA -0.099 4.421 4.480 0.065 0.000 0.261 605 M C 2.115 178.441 176.300 0.043 0.000 1.070 605 M CA 1.482 56.773 55.300 -0.015 0.000 1.125 605 M CB -1.427 31.115 32.600 -0.097 0.000 1.339 605 M HN 0.518 nan 8.290 nan 0.000 0.409 606 Y N 0.969 121.334 120.300 0.109 0.000 2.333 606 Y HA -0.150 4.440 4.550 0.066 0.000 0.290 606 Y C 2.409 178.338 175.900 0.048 0.000 1.144 606 Y CA 1.115 59.261 58.100 0.078 0.000 1.228 606 Y CB -0.705 37.804 38.460 0.082 0.000 0.985 606 Y HN 0.268 nan 8.280 nan 0.000 0.542 607 K N -0.691 119.832 120.400 0.204 0.000 2.116 607 K HA -0.001 4.359 4.320 0.065 0.000 0.203 607 K C 2.364 179.014 176.600 0.084 0.000 1.052 607 K CA 0.912 57.270 56.287 0.119 0.000 0.952 607 K CB -0.275 32.277 32.500 0.086 0.000 0.729 607 K HN 0.223 nan 8.250 nan 0.000 0.446 608 A N 1.529 124.391 122.820 0.070 0.000 1.972 608 A HA -0.094 4.265 4.320 0.065 0.000 0.219 608 A C 2.063 179.675 177.584 0.045 0.000 1.169 608 A CA 1.145 53.208 52.037 0.043 0.000 0.635 608 A CB -0.517 18.498 19.000 0.025 0.000 0.810 608 A HN 0.150 nan 8.150 nan 0.000 0.446 609 L N -1.496 119.766 121.223 0.066 0.000 2.376 609 L HA -0.033 4.346 4.340 0.065 0.000 0.219 609 L C 0.285 177.190 176.870 0.060 0.000 1.133 609 L CA 0.501 55.378 54.840 0.062 0.000 0.816 609 L CB -0.403 41.712 42.059 0.094 0.000 0.933 609 L HN 0.400 nan 8.230 nan 0.000 0.449 610 E N 0.010 120.250 120.200 0.066 0.000 2.252 610 E HA -0.244 4.145 4.350 0.065 0.000 0.218 610 E C 0.987 177.614 176.600 0.046 0.000 1.253 610 E CA 0.575 57.004 56.400 0.049 0.000 0.705 610 E CB -1.558 28.161 29.700 0.032 0.000 1.172 610 E HN 0.581 nan 8.360 nan 0.000 0.369 611 G N -0.446 108.392 108.800 0.064 0.000 2.159 611 G HA2 -0.407 3.592 3.960 0.065 0.000 0.256 611 G HA3 -0.407 3.592 3.960 0.065 0.000 0.256 611 G C 0.281 175.205 174.900 0.041 0.000 0.977 611 G CA 0.373 45.498 45.100 0.043 0.000 0.652 611 G HN 0.352 nan 8.290 nan 0.000 0.531 612 R N 0.903 121.433 120.500 0.050 0.000 2.459 612 R HA 0.492 4.871 4.340 0.065 0.000 0.281 612 R C -2.177 174.147 176.300 0.040 0.000 1.050 612 R CA -1.649 54.467 56.100 0.027 0.000 1.055 612 R CB 0.623 30.931 30.300 0.014 0.000 1.045 612 R HN 0.122 nan 8.270 nan 0.000 0.495 613 P HA -0.001 nan 4.420 nan 0.000 0.269 613 P C -0.847 176.448 177.300 -0.008 0.000 1.215 613 P CA 0.047 63.145 63.100 -0.003 0.000 0.780 613 P CB 0.583 32.229 31.700 -0.090 0.000 0.898 614 M N 0.264 119.881 119.600 0.030 0.000 2.224 614 M HA 0.361 4.881 4.480 0.065 0.000 0.281 614 M C -1.493 174.819 176.300 0.020 0.000 1.025 614 M CA -0.266 55.039 55.300 0.009 0.000 0.954 614 M CB 1.832 34.427 32.600 -0.008 0.000 1.639 614 M HN 0.007 nan 8.290 nan 0.000 0.461 615 T N 4.158 118.714 114.554 0.003 0.000 2.727 615 T HA 0.411 4.800 4.350 0.065 0.000 0.298 615 T C -0.297 174.485 174.700 0.136 0.000 0.942 615 T CA -0.297 61.832 62.100 0.048 0.000 0.997 615 T CB 0.560 69.453 68.868 0.042 0.000 0.917 615 T HN 0.527 nan 8.240 nan 0.000 0.487 616 V N 5.614 125.630 119.914 0.169 0.000 2.432 616 V HA 0.409 4.569 4.120 0.065 0.000 0.275 616 V C 0.598 176.869 176.094 0.296 0.000 1.043 616 V CA -0.733 61.703 62.300 0.227 0.000 0.925 616 V CB 1.026 32.948 31.823 0.165 0.000 0.985 616 V HN 0.630 nan 8.190 nan 0.000 0.466 617 R N 4.830 125.527 120.500 0.329 0.000 2.255 617 R HA 0.280 4.660 4.340 0.065 0.000 0.326 617 R C -0.754 175.818 176.300 0.454 0.000 0.986 617 R CA -0.419 55.879 56.100 0.330 0.000 0.847 617 R CB 0.687 31.135 30.300 0.248 0.000 1.111 617 R HN 0.546 nan 8.270 nan 0.000 0.452 618 Y N 1.975 122.366 120.300 0.151 0.000 2.139 618 Y HA -0.095 4.493 4.550 0.063 0.000 0.368 618 Y C 1.021 176.981 175.900 0.100 0.000 1.260 618 Y CA -0.402 57.777 58.100 0.131 0.000 1.696 618 Y CB -0.026 38.497 38.460 0.105 0.000 1.439 618 Y HN 0.443 nan 8.280 nan 0.000 0.707 619 L N 1.494 122.800 121.223 0.138 0.000 2.513 619 L HA -0.023 4.356 4.340 0.065 0.000 0.272 619 L C 0.556 177.455 176.870 0.048 0.000 1.187 619 L CA 0.620 55.424 54.840 -0.061 0.000 0.895 619 L CB -0.207 41.641 42.059 -0.353 0.000 1.147 619 L HN 0.728 nan 8.230 nan 0.000 0.483 620 D N 4.929 125.382 120.400 0.089 0.000 2.735 620 D HA 0.185 4.865 4.640 0.065 0.000 0.267 620 D C -2.076 174.292 176.300 0.114 0.000 1.081 620 D CA 0.171 54.241 54.000 0.116 0.000 0.980 620 D CB -0.013 40.867 40.800 0.135 0.000 1.129 620 D HN 0.515 nan 8.370 nan 0.000 0.459 621 P HA 0.132 nan 4.420 nan 0.000 0.270 621 P C -2.639 174.758 177.300 0.161 0.000 1.223 621 P CA -0.810 62.373 63.100 0.139 0.000 0.785 621 P CB 0.343 32.113 31.700 0.117 0.000 0.923 622 P HA 0.139 nan 4.420 nan 0.000 0.272 622 P C 1.209 178.639 177.300 0.217 0.000 1.240 622 P CA -0.174 62.995 63.100 0.115 0.000 0.791 622 P CB 0.730 32.486 31.700 0.094 0.000 0.978 623 L N -0.072 121.271 121.223 0.199 0.000 2.201 623 L HA -0.172 4.208 4.340 0.065 0.000 0.212 623 L C 2.664 179.730 176.870 0.326 0.000 1.105 623 L CA 1.167 56.182 54.840 0.292 0.000 0.775 623 L CB -1.015 41.108 42.059 0.106 0.000 0.913 623 L HN 0.611 nan 8.230 nan 0.000 0.440 624 H N 0.922 120.094 119.070 0.170 0.000 2.390 624 H HA -0.219 4.386 4.556 0.081 0.000 0.298 624 H C 1.854 177.332 175.328 0.251 0.000 1.106 624 H CA 1.776 57.943 56.048 0.199 0.000 1.297 624 H CB 0.280 30.129 29.762 0.144 0.000 1.375 624 H HN 0.450 nan 8.280 nan 0.000 0.509 625 E N -0.557 119.761 120.200 0.197 0.000 2.265 625 E HA -0.156 4.233 4.350 0.065 0.000 0.196 625 E C 1.818 178.365 176.600 -0.088 0.000 0.996 625 E CA 0.794 57.222 56.400 0.046 0.000 0.832 625 E CB -0.073 29.562 29.700 -0.109 0.000 0.756 625 E HN 0.483 nan 8.360 nan 0.000 0.491 626 F N 0.284 120.299 119.950 0.108 0.000 2.416 626 F HA -0.036 4.530 4.527 0.066 0.000 0.296 626 F C 1.399 177.153 175.800 -0.077 0.000 1.099 626 F CA -0.026 57.968 58.000 -0.009 0.000 1.427 626 F CB -0.223 38.662 39.000 -0.192 0.000 1.079 626 F HN -0.145 nan 8.300 nan 0.000 0.536 627 V N -1.433 118.443 119.914 -0.065 0.000 3.214 627 V HA 0.466 4.625 4.120 0.065 0.000 0.306 627 V C -2.556 173.167 176.094 -0.618 0.000 1.078 627 V CA -2.119 60.020 62.300 -0.268 0.000 1.077 627 V CB 0.722 32.372 31.823 -0.287 0.000 1.121 627 V HN -0.202 nan 8.190 nan 0.000 0.468 628 P HA 0.543 nan 4.420 nan 0.000 0.296 628 P C -1.090 175.855 177.300 -0.591 0.000 1.301 628 P CA -0.320 62.480 63.100 -0.500 0.000 0.862 628 P CB 1.030 32.608 31.700 -0.205 0.000 1.046 629 H N -1.824 117.216 119.070 -0.048 0.000 2.705 629 H HA 0.129 4.728 4.556 0.072 0.000 0.269 629 H C 0.393 175.716 175.328 -0.008 0.000 0.998 629 H CA 0.100 56.131 56.048 -0.028 0.000 1.193 629 H CB -0.152 29.609 29.762 -0.001 0.000 1.485 629 H HN 0.314 nan 8.280 nan 0.000 0.521 630 T N 0.442 115.033 114.554 0.061 0.000 2.780 630 T HA 0.110 4.499 4.350 0.065 0.000 0.294 630 T C 0.421 175.128 174.700 0.011 0.000 0.949 630 T CA -0.998 61.125 62.100 0.037 0.000 1.074 630 T CB 1.243 70.126 68.868 0.024 0.000 0.910 630 T HN 0.515 nan 8.240 nan 0.000 0.501 631 E N 2.444 122.652 120.200 0.014 0.000 1.979 631 E HA 0.199 4.588 4.350 0.065 0.000 0.285 631 E C 0.529 177.129 176.600 -0.000 0.000 1.188 631 E CA -0.526 55.876 56.400 0.003 0.000 1.214 631 E CB 0.107 29.811 29.700 0.007 0.000 1.210 631 E HN 0.912 nan 8.360 nan 0.000 0.477 632 E N 2.153 122.350 120.200 -0.005 0.000 2.756 632 E HA -0.076 4.313 4.350 0.065 0.000 0.218 632 E C 1.015 177.608 176.600 -0.012 0.000 1.042 632 E CA -0.134 56.263 56.400 -0.006 0.000 1.713 632 E CB -0.127 29.572 29.700 -0.002 0.000 2.443 632 E HN 0.270 nan 8.360 nan 0.000 1.080 633 E N 1.039 121.229 120.200 -0.017 0.000 2.250 633 E HA 0.030 4.420 4.350 0.065 0.000 0.192 633 E C 1.822 178.400 176.600 -0.037 0.000 0.986 633 E CA 0.613 56.997 56.400 -0.027 0.000 0.849 633 E CB 0.331 30.011 29.700 -0.034 0.000 0.797 633 E HN 0.374 nan 8.360 nan 0.000 0.482 634 Q N -0.270 119.508 119.800 -0.037 0.000 2.230 634 Q HA 0.012 4.391 4.340 0.065 0.000 0.202 634 Q C 1.990 177.974 176.000 -0.027 0.000 0.963 634 Q CA 1.030 56.808 55.803 -0.041 0.000 0.866 634 Q CB 0.034 28.750 28.738 -0.035 0.000 0.931 634 Q HN 0.137 nan 8.270 nan 0.000 0.452 635 A N 0.854 123.662 122.820 -0.019 0.000 2.014 635 A HA -0.186 4.173 4.320 0.065 0.000 0.218 635 A C 1.822 179.396 177.584 -0.016 0.000 1.163 635 A CA 1.257 53.285 52.037 -0.014 0.000 0.652 635 A CB -0.186 18.809 19.000 -0.009 0.000 0.808 635 A HN 0.244 nan 8.150 nan 0.000 0.449 636 E N -0.403 119.786 120.200 -0.019 0.000 2.006 636 E HA -0.151 4.238 4.350 0.065 0.000 0.192 636 E C 1.814 178.402 176.600 -0.021 0.000 0.993 636 E CA 1.146 57.535 56.400 -0.018 0.000 0.808 636 E CB -0.336 29.352 29.700 -0.020 0.000 0.764 636 E HN 0.360 nan 8.360 nan 0.000 0.449 637 L N 0.477 121.683 121.223 -0.027 0.000 2.064 637 L HA -0.283 4.096 4.340 0.065 0.000 0.216 637 L C 2.112 178.966 176.870 -0.027 0.000 1.077 637 L CA 2.372 57.193 54.840 -0.031 0.000 0.766 637 L CB -0.751 41.283 42.059 -0.041 0.000 0.890 637 L HN 0.257 nan 8.230 nan 0.000 0.435 638 A N -1.444 121.362 122.820 -0.023 0.000 1.930 638 A HA -0.216 4.143 4.320 0.065 0.000 0.217 638 A C 2.311 179.886 177.584 -0.016 0.000 1.175 638 A CA 1.718 53.744 52.037 -0.019 0.000 0.627 638 A CB -0.495 18.496 19.000 -0.015 0.000 0.815 638 A HN 0.377 nan 8.150 nan 0.000 0.443 639 K N 0.887 121.278 120.400 -0.015 0.000 2.002 639 K HA -0.117 4.242 4.320 0.065 0.000 0.209 639 K C 0.988 177.580 176.600 -0.014 0.000 1.048 639 K CA 1.852 58.132 56.287 -0.012 0.000 0.930 639 K CB -0.452 32.041 32.500 -0.011 0.000 0.714 639 K HN 0.404 nan 8.250 nan 0.000 0.438 640 N N -0.116 118.574 118.700 -0.017 0.000 2.627 640 N HA -0.029 4.750 4.740 0.065 0.000 0.196 640 N C 0.395 175.892 175.510 -0.021 0.000 1.268 640 N CA 0.705 53.744 53.050 -0.019 0.000 0.904 640 N CB 0.208 38.682 38.487 -0.022 0.000 1.016 640 N HN 0.340 nan 8.380 nan 0.000 0.448 641 M N -3.105 116.484 119.600 -0.019 0.000 2.204 641 M HA 0.173 4.692 4.480 0.065 0.000 0.407 641 M C 0.955 177.246 176.300 -0.015 0.000 0.920 641 M CA 0.188 55.476 55.300 -0.020 0.000 1.037 641 M CB 1.182 33.768 32.600 -0.024 0.000 2.010 641 M HN 0.123 nan 8.290 nan 0.000 0.674 642 G N 1.874 110.667 108.800 -0.012 0.000 2.284 642 G HA2 -0.261 3.738 3.960 0.065 0.000 0.261 642 G HA3 -0.261 3.738 3.960 0.065 0.000 0.261 642 G C 0.342 175.237 174.900 -0.008 0.000 0.997 642 G CA 0.547 45.642 45.100 -0.009 0.000 0.621 642 G HN 0.395 nan 8.290 nan 0.000 0.534 643 L N 1.014 122.231 121.223 -0.010 0.000 2.444 643 L HA 0.489 4.868 4.340 0.065 0.000 0.251 643 L C 1.499 178.365 176.870 -0.007 0.000 1.247 643 L CA 0.393 55.228 54.840 -0.008 0.000 0.825 643 L CB -0.530 41.524 42.059 -0.009 0.000 1.129 643 L HN 0.458 nan 8.230 nan 0.000 0.527 644 T N -2.391 112.160 114.554 -0.004 0.000 2.944 644 T HA 0.280 4.670 4.350 0.065 0.000 0.284 644 T C 0.709 175.406 174.700 -0.004 0.000 1.010 644 T CA -0.802 61.296 62.100 -0.003 0.000 1.025 644 T CB 1.520 70.387 68.868 -0.000 0.000 1.079 644 T HN 0.485 nan 8.240 nan 0.000 0.516 645 L N 1.294 122.515 121.223 -0.004 0.000 2.187 645 L HA 0.089 4.468 4.340 0.065 0.000 0.213 645 L C 2.525 179.394 176.870 -0.001 0.000 1.100 645 L CA 2.339 57.176 54.840 -0.004 0.000 0.765 645 L CB -1.309 40.748 42.059 -0.003 0.000 0.904 645 L HN 0.918 nan 8.230 nan 0.000 0.437 646 A N -1.124 121.697 122.820 0.001 0.000 1.898 646 A HA -0.125 4.234 4.320 0.065 0.000 0.214 646 A C 2.181 179.769 177.584 0.006 0.000 1.183 646 A CA 1.191 53.230 52.037 0.005 0.000 0.622 646 A CB -0.509 18.495 19.000 0.005 0.000 0.824 646 A HN 0.535 nan 8.150 nan 0.000 0.444 647 E N -0.267 119.935 120.200 0.003 0.000 2.118 647 E HA -0.150 4.239 4.350 0.065 0.000 0.195 647 E C 1.966 178.568 176.600 0.003 0.000 0.992 647 E CA 1.488 57.891 56.400 0.004 0.000 0.804 647 E CB -0.180 29.521 29.700 0.001 0.000 0.741 647 E HN 0.428 nan 8.360 nan 0.000 0.458 648 V N 1.714 121.626 119.914 -0.002 0.000 2.273 648 V HA -0.269 3.890 4.120 0.065 0.000 0.242 648 V C 2.324 178.417 176.094 -0.002 0.000 1.035 648 V CA 2.155 64.451 62.300 -0.008 0.000 1.013 648 V CB -0.539 31.273 31.823 -0.018 0.000 0.652 648 V HN 0.301 nan 8.190 nan 0.000 0.452 649 K N 1.986 122.388 120.400 0.002 0.000 2.032 649 K HA -0.151 4.208 4.320 0.065 0.000 0.209 649 K C 2.119 178.736 176.600 0.028 0.000 1.048 649 K CA 2.027 58.322 56.287 0.014 0.000 0.927 649 K CB -0.791 31.717 32.500 0.013 0.000 0.712 649 K HN 0.298 nan 8.250 nan 0.000 0.441 650 A N 1.510 124.343 122.820 0.023 0.000 1.948 650 A HA -0.226 4.133 4.320 0.065 0.000 0.220 650 A C 2.205 179.814 177.584 0.041 0.000 1.177 650 A CA 2.160 54.214 52.037 0.029 0.000 0.636 650 A CB -0.581 18.432 19.000 0.022 0.000 0.815 650 A HN 0.406 nan 8.150 nan 0.000 0.449 651 K N -0.213 120.208 120.400 0.035 0.000 2.103 651 K HA 0.021 4.380 4.320 0.065 0.000 0.204 651 K C 1.661 178.302 176.600 0.068 0.000 1.052 651 K CA 1.595 57.909 56.287 0.044 0.000 0.945 651 K CB -0.745 31.770 32.500 0.024 0.000 0.722 651 K HN 0.182 nan 8.250 nan 0.000 0.443 652 V N 1.609 121.559 119.914 0.060 0.000 2.295 652 V HA -0.240 3.919 4.120 0.065 0.000 0.246 652 V C 1.219 177.433 176.094 0.200 0.000 1.049 652 V CA 2.370 64.726 62.300 0.093 0.000 1.024 652 V CB -0.608 31.247 31.823 0.053 0.000 0.648 652 V HN 0.370 nan 8.190 nan 0.000 0.447 653 D N -0.592 119.893 120.400 0.141 0.000 2.309 653 D HA -0.168 4.511 4.640 0.065 0.000 0.212 653 D C 2.078 178.460 176.300 0.136 0.000 0.968 653 D CA 0.849 54.929 54.000 0.132 0.000 0.882 653 D CB -0.104 40.722 40.800 0.044 0.000 0.918 653 D HN 0.521 nan 8.370 nan 0.000 0.503 654 E N -0.133 120.142 120.200 0.126 0.000 2.208 654 E HA -0.024 4.365 4.350 0.065 0.000 0.193 654 E C 1.611 178.296 176.600 0.141 0.000 0.988 654 E CA 0.331 56.796 56.400 0.109 0.000 0.828 654 E CB 0.153 29.908 29.700 0.091 0.000 0.763 654 E HN 0.290 nan 8.360 nan 0.000 0.478 655 L N 0.423 121.778 121.223 0.219 0.000 2.492 655 L HA -0.001 4.378 4.340 0.065 0.000 0.223 655 L C 0.934 177.928 176.870 0.206 0.000 1.132 655 L CA 0.036 55.032 54.840 0.261 0.000 0.850 655 L CB -0.417 41.848 42.059 0.343 0.000 0.966 655 L HN 0.210 nan 8.230 nan 0.000 0.454 656 H N 1.506 120.597 119.070 0.034 0.000 2.928 656 H HA 0.097 4.705 4.556 0.088 0.000 0.338 656 H C -0.407 174.695 175.328 -0.377 0.000 1.047 656 H CA 0.609 56.433 56.048 -0.373 0.000 1.435 656 H CB 0.506 30.119 29.762 -0.249 0.000 1.428 656 H HN 0.131 nan 8.280 nan 0.000 0.590 657 E N 3.491 122.976 120.200 -1.192 0.000 2.367 657 E HA 0.126 4.515 4.350 0.065 0.000 0.273 657 E C -0.068 176.015 176.600 -0.863 0.000 0.903 657 E CA -0.762 55.141 56.400 -0.828 0.000 0.764 657 E CB 1.202 30.682 29.700 -0.367 0.000 1.252 657 E HN 0.600 nan 8.360 nan 0.000 0.446 658 F N 0.375 120.145 119.950 -0.300 0.000 2.206 658 F HA 0.025 4.560 4.527 0.014 0.000 0.298 658 F C 1.062 176.797 175.800 -0.108 0.000 1.090 658 F CA 0.515 58.422 58.000 -0.155 0.000 1.323 658 F CB 0.225 39.193 39.000 -0.053 0.000 1.028 658 F HN 0.205 nan 8.300 nan 0.000 0.492 659 N N 0.170 118.931 118.700 0.102 0.000 2.727 659 N HA 0.183 4.962 4.740 0.065 0.000 0.252 659 N C -2.282 173.240 175.510 0.019 0.000 1.283 659 N CA -0.932 52.154 53.050 0.059 0.000 0.782 659 N CB 1.160 39.697 38.487 0.082 0.000 1.199 659 N HN -0.106 nan 8.380 nan 0.000 0.520 660 P HA -0.092 nan 4.420 nan 0.000 0.222 660 P C 1.459 178.766 177.300 0.011 0.000 1.142 660 P CA 0.941 64.019 63.100 -0.036 0.000 0.788 660 P CB 0.510 32.168 31.700 -0.070 0.000 0.767 661 M N -2.063 117.554 119.600 0.027 0.000 2.419 661 M HA 0.058 4.578 4.480 0.065 0.000 0.264 661 M C 0.881 177.213 176.300 0.053 0.000 1.082 661 M CA 1.417 56.744 55.300 0.045 0.000 1.119 661 M CB -0.005 32.628 32.600 0.055 0.000 1.398 661 M HN -0.101 nan 8.290 nan 0.000 0.453 662 M N -0.853 118.778 119.600 0.051 0.000 3.017 662 M HA 0.259 4.778 4.480 0.065 0.000 0.423 662 M C 0.531 176.865 176.300 0.057 0.000 1.395 662 M CA -0.423 54.909 55.300 0.053 0.000 0.816 662 M CB 0.748 33.379 32.600 0.051 0.000 1.440 662 M HN 0.079 nan 8.290 nan 0.000 0.506 663 G N -0.322 108.513 108.800 0.059 0.000 2.783 663 G HA2 0.112 4.112 3.960 0.065 0.000 0.182 663 G HA3 0.112 4.112 3.960 0.065 0.000 0.182 663 G C -0.696 174.286 174.900 0.136 0.000 1.516 663 G CA -0.272 44.872 45.100 0.073 0.000 1.079 663 G HN 0.541 nan 8.290 nan 0.000 0.573 664 H N 0.670 119.753 119.070 0.021 0.000 2.661 664 H HA 0.518 5.109 4.556 0.058 0.000 0.290 664 H C 0.246 175.610 175.328 0.060 0.000 1.082 664 H CA -0.708 55.359 56.048 0.031 0.000 1.234 664 H CB 0.115 29.900 29.762 0.038 0.000 1.387 664 H HN 0.600 nan 8.280 nan 0.000 0.476 665 R N 3.094 123.636 120.500 0.069 0.000 2.764 665 R HA 0.388 4.768 4.340 0.065 0.000 0.276 665 R C -0.274 176.051 176.300 0.042 0.000 1.021 665 R CA -0.171 55.936 56.100 0.012 0.000 0.870 665 R CB 0.263 30.598 30.300 0.058 0.000 1.293 665 R HN 0.724 nan 8.270 nan 0.000 0.469 666 G N 0.198 109.026 108.800 0.047 0.000 2.556 666 G HA2 -0.470 3.529 3.960 0.065 0.000 0.283 666 G HA3 -0.470 3.529 3.960 0.065 0.000 0.283 666 G C 1.045 175.985 174.900 0.068 0.000 1.177 666 G CA 1.222 46.362 45.100 0.068 0.000 0.978 666 G HN 1.572 nan 8.290 nan 0.000 0.554 667 C N 0.330 119.672 119.300 0.070 0.000 2.464 667 C HA 0.333 4.832 4.460 0.065 0.000 0.278 667 C C 2.787 177.813 174.990 0.060 0.000 1.375 667 C CA 1.656 60.718 59.018 0.073 0.000 1.761 667 C CB -1.164 26.611 27.740 0.059 0.000 1.944 667 C HN 0.687 nan 8.230 nan 0.000 0.509 668 R N 1.124 121.667 120.500 0.071 0.000 2.117 668 R HA -0.023 4.356 4.340 0.065 0.000 0.243 668 R C 2.220 178.611 176.300 0.151 0.000 1.143 668 R CA 1.561 57.738 56.100 0.129 0.000 0.968 668 R CB -0.809 29.649 30.300 0.263 0.000 0.863 668 R HN 0.629 nan 8.270 nan 0.000 0.444 669 L N -0.796 120.430 121.223 0.005 0.000 2.046 669 L HA -0.158 4.221 4.340 0.065 0.000 0.208 669 L C 2.257 179.181 176.870 0.090 0.000 1.077 669 L CA 1.481 56.289 54.840 -0.052 0.000 0.747 669 L CB -0.535 41.491 42.059 -0.055 0.000 0.896 669 L HN 0.283 nan 8.230 nan 0.000 0.432 670 A N -1.067 121.818 122.820 0.109 0.000 2.067 670 A HA -0.092 4.268 4.320 0.065 0.000 0.219 670 A C 2.209 179.903 177.584 0.184 0.000 1.158 670 A CA 1.041 53.184 52.037 0.178 0.000 0.661 670 A CB -0.437 18.690 19.000 0.212 0.000 0.801 670 A HN 0.241 nan 8.150 nan 0.000 0.452 671 V N 0.116 120.027 119.914 -0.006 0.000 2.719 671 V HA -0.115 4.045 4.120 0.065 0.000 0.252 671 V C 2.666 178.626 176.094 -0.224 0.000 1.065 671 V CA 2.173 64.272 62.300 -0.333 0.000 1.086 671 V CB -0.351 31.155 31.823 -0.527 0.000 0.700 671 V HN 0.844 nan 8.190 nan 0.000 0.467 672 T N -4.094 110.361 114.554 -0.166 0.000 3.014 672 T HA 0.081 4.471 4.350 0.065 0.000 0.250 672 T C 0.381 174.799 174.700 -0.470 0.000 1.060 672 T CA 0.289 62.168 62.100 -0.368 0.000 1.040 672 T CB 0.002 68.544 68.868 -0.544 0.000 0.971 672 T HN 0.323 nan 8.240 nan 0.000 0.497 673 Y N 0.887 121.251 120.300 0.107 0.000 2.512 673 Y HA 0.411 4.998 4.550 0.062 0.000 0.326 673 Y C -2.370 173.584 175.900 0.091 0.000 1.008 673 Y CA -3.372 54.773 58.100 0.074 0.000 1.139 673 Y CB 1.124 39.592 38.460 0.014 0.000 1.137 673 Y HN 0.045 nan 8.280 nan 0.000 0.630 674 P HA -0.233 nan 4.420 nan 0.000 0.218 674 P C 0.955 178.349 177.300 0.156 0.000 1.150 674 P CA 1.893 65.129 63.100 0.226 0.000 0.841 674 P CB 0.449 32.262 31.700 0.189 0.000 0.784 675 E N -0.476 119.809 120.200 0.141 0.000 2.169 675 E HA -0.205 4.184 4.350 0.065 0.000 0.202 675 E C 1.996 178.638 176.600 0.069 0.000 1.016 675 E CA 1.192 57.645 56.400 0.088 0.000 0.817 675 E CB -0.825 28.921 29.700 0.078 0.000 0.736 675 E HN 0.317 nan 8.360 nan 0.000 0.462 676 I N 0.906 121.526 120.570 0.082 0.000 2.179 676 I HA -0.246 3.963 4.170 0.065 0.000 0.242 676 I C 2.537 178.673 176.117 0.032 0.000 1.088 676 I CA 1.140 62.466 61.300 0.043 0.000 1.357 676 I CB -0.701 37.304 38.000 0.009 0.000 1.051 676 I HN 0.119 nan 8.210 nan 0.000 0.409 677 A N 1.185 124.070 122.820 0.109 0.000 1.972 677 A HA -0.197 4.162 4.320 0.065 0.000 0.219 677 A C 2.310 179.972 177.584 0.129 0.000 1.169 677 A CA 1.591 53.738 52.037 0.184 0.000 0.635 677 A CB -0.397 18.772 19.000 0.281 0.000 0.810 677 A HN 0.391 nan 8.150 nan 0.000 0.446 678 K N -0.951 119.499 120.400 0.084 0.000 2.076 678 K HA 0.042 4.401 4.320 0.065 0.000 0.204 678 K C 2.150 178.760 176.600 0.017 0.000 1.051 678 K CA 1.242 57.559 56.287 0.051 0.000 0.949 678 K CB -0.263 32.260 32.500 0.039 0.000 0.726 678 K HN 0.533 nan 8.250 nan 0.000 0.443 679 M N 1.180 120.784 119.600 0.008 0.000 2.229 679 M HA -0.198 4.321 4.480 0.065 0.000 0.264 679 M C 1.695 177.972 176.300 -0.038 0.000 1.063 679 M CA 1.708 57.002 55.300 -0.010 0.000 1.114 679 M CB -0.046 32.551 32.600 -0.005 0.000 1.387 679 M HN 0.165 nan 8.290 nan 0.000 0.420 680 Q N -0.469 119.270 119.800 -0.103 0.000 2.123 680 Q HA -0.104 4.275 4.340 0.065 0.000 0.199 680 Q C 1.811 177.717 176.000 -0.157 0.000 0.966 680 Q CA 2.109 57.766 55.803 -0.245 0.000 0.845 680 Q CB -0.236 28.038 28.738 -0.774 0.000 0.907 680 Q HN 0.592 nan 8.270 nan 0.000 0.439 681 T N 0.813 115.348 114.554 -0.031 0.000 2.821 681 T HA -0.128 4.261 4.350 0.065 0.000 0.267 681 T C 1.765 176.453 174.700 -0.019 0.000 1.046 681 T CA 1.126 63.263 62.100 0.061 0.000 1.139 681 T CB -0.117 68.806 68.868 0.091 0.000 0.871 681 T HN 0.250 nan 8.240 nan 0.000 0.454 682 R N 1.152 121.640 120.500 -0.019 0.000 2.066 682 R HA 0.032 4.411 4.340 0.065 0.000 0.232 682 R C 2.682 178.981 176.300 -0.002 0.000 1.131 682 R CA 1.263 57.350 56.100 -0.022 0.000 0.955 682 R CB -0.542 29.749 30.300 -0.015 0.000 0.851 682 R HN 0.346 nan 8.270 nan 0.000 0.432 683 A N 0.528 123.363 122.820 0.024 0.000 1.859 683 A HA -0.182 4.177 4.320 0.065 0.000 0.217 683 A C 2.267 179.925 177.584 0.124 0.000 1.198 683 A CA 2.094 54.198 52.037 0.112 0.000 0.629 683 A CB -0.944 18.169 19.000 0.188 0.000 0.830 683 A HN 0.233 nan 8.150 nan 0.000 0.446 684 V N -0.058 119.817 119.914 -0.065 0.000 2.220 684 V HA -0.344 3.815 4.120 0.065 0.000 0.246 684 V C 2.724 178.786 176.094 -0.054 0.000 1.049 684 V CA 2.255 64.400 62.300 -0.258 0.000 1.003 684 V CB -0.793 30.845 31.823 -0.308 0.000 0.634 684 V HN 0.527 nan 8.190 nan 0.000 0.444 685 M N -0.540 119.015 119.600 -0.076 0.000 2.086 685 M HA -0.159 4.360 4.480 0.065 0.000 0.261 685 M C 2.204 178.464 176.300 -0.067 0.000 1.067 685 M CA 1.638 56.877 55.300 -0.103 0.000 1.116 685 M CB -1.280 31.226 32.600 -0.157 0.000 1.348 685 M HN 0.457 nan 8.290 nan 0.000 0.407 686 E N 0.325 120.507 120.200 -0.029 0.000 2.058 686 E HA -0.181 4.208 4.350 0.065 0.000 0.194 686 E C 2.086 178.694 176.600 0.013 0.000 0.997 686 E CA 1.476 57.869 56.400 -0.011 0.000 0.801 686 E CB -0.115 29.586 29.700 0.001 0.000 0.746 686 E HN 0.502 nan 8.360 nan 0.000 0.450 687 A N 1.516 124.382 122.820 0.076 0.000 1.841 687 A HA -0.208 4.151 4.320 0.065 0.000 0.216 687 A C 2.424 180.035 177.584 0.045 0.000 1.199 687 A CA 2.173 54.300 52.037 0.150 0.000 0.621 687 A CB -0.969 18.251 19.000 0.368 0.000 0.835 687 A HN 0.331 nan 8.150 nan 0.000 0.445 688 A N -0.652 122.098 122.820 -0.116 0.000 1.972 688 A HA -0.064 4.296 4.320 0.065 0.000 0.219 688 A C 2.139 179.583 177.584 -0.234 0.000 1.169 688 A CA 1.536 53.308 52.037 -0.442 0.000 0.635 688 A CB -0.615 17.925 19.000 -0.766 0.000 0.810 688 A HN 0.523 nan 8.150 nan 0.000 0.446 689 I N -0.707 119.780 120.570 -0.139 0.000 2.179 689 I HA -0.257 3.952 4.170 0.065 0.000 0.242 689 I C 2.532 178.608 176.117 -0.069 0.000 1.088 689 I CA 1.628 62.870 61.300 -0.096 0.000 1.357 689 I CB -0.325 37.633 38.000 -0.071 0.000 1.051 689 I HN 0.414 nan 8.210 nan 0.000 0.409 690 E N 0.007 120.180 120.200 -0.045 0.000 2.085 690 E HA -0.204 4.186 4.350 0.065 0.000 0.194 690 E C 2.269 178.856 176.600 -0.021 0.000 0.994 690 E CA 1.361 57.747 56.400 -0.024 0.000 0.801 690 E CB 0.023 29.721 29.700 -0.003 0.000 0.743 690 E HN 0.267 nan 8.360 nan 0.000 0.453 691 V N 1.200 121.098 119.914 -0.027 0.000 2.548 691 V HA -0.166 3.993 4.120 0.065 0.000 0.249 691 V C 2.271 178.340 176.094 -0.041 0.000 1.055 691 V CA 1.145 63.437 62.300 -0.013 0.000 1.065 691 V CB -0.267 31.566 31.823 0.015 0.000 0.681 691 V HN 0.141 nan 8.190 nan 0.000 0.462 692 K N 0.351 120.704 120.400 -0.079 0.000 2.097 692 K HA -0.184 4.175 4.320 0.065 0.000 0.206 692 K C 2.028 178.602 176.600 -0.043 0.000 1.049 692 K CA 1.559 57.803 56.287 -0.072 0.000 0.933 692 K CB -0.056 32.388 32.500 -0.093 0.000 0.717 692 K HN 0.584 nan 8.250 nan 0.000 0.442 693 E N 0.551 120.728 120.200 -0.037 0.000 2.017 693 E HA -0.183 4.207 4.350 0.065 0.000 0.193 693 E C 1.830 178.419 176.600 -0.017 0.000 0.997 693 E CA 1.628 58.013 56.400 -0.025 0.000 0.804 693 E CB -0.050 29.636 29.700 -0.022 0.000 0.757 693 E HN 0.445 nan 8.360 nan 0.000 0.448 694 E N 0.084 120.277 120.200 -0.013 0.000 2.265 694 E HA -0.160 4.229 4.350 0.065 0.000 0.196 694 E C 1.869 178.466 176.600 -0.004 0.000 0.996 694 E CA 1.653 58.049 56.400 -0.006 0.000 0.832 694 E CB -0.165 29.534 29.700 -0.001 0.000 0.756 694 E HN 0.334 nan 8.360 nan 0.000 0.491 695 T N -3.687 110.863 114.554 -0.006 0.000 3.038 695 T HA 0.382 4.771 4.350 0.065 0.000 0.244 695 T C 1.674 176.370 174.700 -0.006 0.000 1.016 695 T CA 0.754 62.852 62.100 -0.002 0.000 1.098 695 T CB 0.628 69.497 68.868 0.002 0.000 0.954 695 T HN 0.347 nan 8.240 nan 0.000 0.469 696 G N 1.533 110.325 108.800 -0.013 0.000 2.175 696 G HA2 -0.151 3.848 3.960 0.065 0.000 0.244 696 G HA3 -0.151 3.848 3.960 0.065 0.000 0.244 696 G C 0.065 174.956 174.900 -0.016 0.000 0.982 696 G CA 0.018 45.109 45.100 -0.014 0.000 0.641 696 G HN 0.646 nan 8.290 nan 0.000 0.527 697 I N 1.562 122.122 120.570 -0.016 0.000 2.441 697 I HA 0.195 4.404 4.170 0.065 0.000 0.287 697 I C 0.414 176.513 176.117 -0.030 0.000 1.049 697 I CA -0.326 60.965 61.300 -0.016 0.000 1.381 697 I CB 0.911 38.908 38.000 -0.005 0.000 1.409 697 I HN 0.109 nan 8.210 nan 0.000 0.523 698 D N 6.681 127.066 120.400 -0.026 0.000 2.417 698 D HA 0.259 4.938 4.640 0.065 0.000 0.250 698 D C -0.371 175.898 176.300 -0.053 0.000 1.166 698 D CA 0.225 54.202 54.000 -0.038 0.000 0.881 698 D CB 0.652 41.434 40.800 -0.029 0.000 1.164 698 D HN 0.241 nan 8.370 nan 0.000 0.467 699 I N 3.461 123.975 120.570 -0.094 0.000 2.460 699 I HA 0.302 4.511 4.170 0.065 0.000 0.298 699 I C -0.472 175.579 176.117 -0.110 0.000 0.989 699 I CA -1.007 60.211 61.300 -0.137 0.000 1.173 699 I CB 1.987 39.806 38.000 -0.302 0.000 1.338 699 I HN 0.147 nan 8.210 nan 0.000 0.456 700 V N 6.218 126.090 119.914 -0.070 0.000 2.467 700 V HA 0.203 4.363 4.120 0.065 0.000 0.260 700 V C -2.302 173.780 176.094 -0.021 0.000 0.963 700 V CA -1.488 60.772 62.300 -0.067 0.000 0.856 700 V CB 0.750 32.532 31.823 -0.067 0.000 1.087 700 V HN 0.606 nan 8.190 nan 0.000 0.467 701 P HA 0.018 nan 4.420 nan 0.000 0.267 701 P C -0.220 177.166 177.300 0.144 0.000 1.175 701 P CA 0.616 63.778 63.100 0.102 0.000 0.763 701 P CB 0.688 32.434 31.700 0.077 0.000 0.795 702 E N 1.924 122.230 120.200 0.176 0.000 2.255 702 E HA 0.369 4.758 4.350 0.065 0.000 0.256 702 E C -0.656 176.097 176.600 0.255 0.000 0.887 702 E CA -0.533 55.990 56.400 0.204 0.000 0.782 702 E CB 1.107 30.790 29.700 -0.028 0.000 1.214 702 E HN 0.295 nan 8.360 nan 0.000 0.417 703 I N 3.636 124.398 120.570 0.321 0.000 2.354 703 I HA 0.391 4.600 4.170 0.065 0.000 0.292 703 I C -0.159 176.014 176.117 0.093 0.000 0.989 703 I CA -0.599 60.767 61.300 0.110 0.000 1.188 703 I CB 1.240 39.220 38.000 -0.033 0.000 1.342 703 I HN 0.605 nan 8.210 nan 0.000 0.457 704 M N 7.419 127.015 119.600 -0.006 0.000 2.197 704 M HA 0.513 5.032 4.480 0.065 0.000 0.301 704 M C -1.612 174.625 176.300 -0.105 0.000 0.987 704 M CA -0.502 54.812 55.300 0.024 0.000 0.921 704 M CB 1.623 34.380 32.600 0.262 0.000 1.569 704 M HN 0.248 nan 8.290 nan 0.000 0.431 705 I N 7.524 128.007 120.570 -0.145 0.000 2.325 705 I HA 0.422 4.631 4.170 0.065 0.000 0.291 705 I C -2.179 173.932 176.117 -0.011 0.000 1.019 705 I CA -2.355 58.893 61.300 -0.087 0.000 1.302 705 I CB 0.428 38.374 38.000 -0.090 0.000 1.401 705 I HN 0.518 nan 8.210 nan 0.000 0.485 706 P HA 0.204 nan 4.420 nan 0.000 0.276 706 P C 0.464 177.786 177.300 0.036 0.000 1.261 706 P CA -0.667 62.466 63.100 0.056 0.000 0.800 706 P CB 1.033 32.789 31.700 0.094 0.000 1.066 707 L N -1.919 119.322 121.223 0.030 0.000 3.739 707 L HA -0.162 4.217 4.340 0.065 0.000 0.442 707 L C -0.596 176.277 176.870 0.004 0.000 1.241 707 L CA 0.167 55.020 54.840 0.023 0.000 0.819 707 L CB -1.425 40.659 42.059 0.043 0.000 1.679 707 L HN 0.117 nan 8.230 nan 0.000 0.889 708 V N -0.186 119.714 119.914 -0.024 0.000 2.432 708 V HA 0.410 4.569 4.120 0.065 0.000 0.275 708 V C 1.291 177.355 176.094 -0.050 0.000 1.043 708 V CA 0.892 63.170 62.300 -0.037 0.000 0.925 708 V CB 1.442 33.230 31.823 -0.058 0.000 0.985 708 V HN 0.490 nan 8.190 nan 0.000 0.466 709 G N 3.963 112.741 108.800 -0.037 0.000 3.274 709 G HA2 0.355 4.354 3.960 0.065 0.000 0.250 709 G HA3 0.355 4.354 3.960 0.065 0.000 0.250 709 G C 0.106 174.984 174.900 -0.036 0.000 1.024 709 G CA 0.116 45.193 45.100 -0.039 0.000 0.840 709 G HN 0.653 nan 8.290 nan 0.000 0.522 710 E N 0.199 120.380 120.200 -0.031 0.000 2.321 710 E HA 0.311 4.700 4.350 0.065 0.000 0.281 710 E C 1.069 177.663 176.600 -0.011 0.000 0.910 710 E CA -0.806 55.582 56.400 -0.021 0.000 0.770 710 E CB 1.411 31.101 29.700 -0.018 0.000 1.225 710 E HN -0.149 nan 8.360 nan 0.000 0.417 711 K N 3.929 124.328 120.400 -0.001 0.000 2.052 711 K HA -0.249 4.110 4.320 0.065 0.000 0.215 711 K C 0.878 177.493 176.600 0.025 0.000 1.053 711 K CA 2.124 58.419 56.287 0.013 0.000 0.934 711 K CB -0.117 32.394 32.500 0.019 0.000 0.717 711 K HN 0.652 nan 8.250 nan 0.000 0.450 712 K N 0.401 120.816 120.400 0.025 0.000 2.286 712 K HA -0.176 4.183 4.320 0.065 0.000 0.203 712 K C 2.111 178.745 176.600 0.057 0.000 1.045 712 K CA 1.609 57.921 56.287 0.041 0.000 0.935 712 K CB -0.026 32.491 32.500 0.029 0.000 0.737 712 K HN 0.456 nan 8.250 nan 0.000 0.460 713 E N 0.557 120.774 120.200 0.029 0.000 2.276 713 E HA -0.102 4.287 4.350 0.065 0.000 0.193 713 E C 1.897 178.530 176.600 0.055 0.000 0.983 713 E CA 0.155 56.565 56.400 0.016 0.000 0.861 713 E CB 0.198 29.881 29.700 -0.029 0.000 0.817 713 E HN 0.125 nan 8.360 nan 0.000 0.485 714 L N 1.918 123.166 121.223 0.042 0.000 2.068 714 L HA -0.001 4.379 4.340 0.065 0.000 0.204 714 L C 2.406 179.323 176.870 0.078 0.000 1.076 714 L CA 1.976 56.841 54.840 0.041 0.000 0.753 714 L CB -0.625 41.437 42.059 0.004 0.000 0.910 714 L HN -0.004 nan 8.230 nan 0.000 0.439 715 K N -0.994 119.452 120.400 0.076 0.000 2.089 715 K HA -0.315 4.044 4.320 0.065 0.000 0.210 715 K C 2.159 178.839 176.600 0.133 0.000 1.048 715 K CA 2.285 58.620 56.287 0.081 0.000 0.926 715 K CB -0.618 31.920 32.500 0.064 0.000 0.714 715 K HN 0.356 nan 8.250 nan 0.000 0.448 716 F N 0.811 120.767 119.950 0.009 0.000 2.134 716 F HA -0.172 4.397 4.527 0.069 0.000 0.299 716 F C 1.685 177.501 175.800 0.026 0.000 1.097 716 F CA 1.459 59.469 58.000 0.016 0.000 1.264 716 F CB -0.261 38.746 39.000 0.013 0.000 1.001 716 F HN -0.138 nan 8.300 nan 0.000 0.479 717 V N 0.702 120.852 119.914 0.394 0.000 2.535 717 V HA -0.197 3.962 4.120 0.065 0.000 0.246 717 V C 2.432 178.594 176.094 0.114 0.000 1.045 717 V CA 1.795 64.263 62.300 0.281 0.000 1.058 717 V CB -0.696 31.273 31.823 0.244 0.000 0.689 717 V HN 0.311 nan 8.190 nan 0.000 0.461 718 K N 0.287 120.736 120.400 0.082 0.000 2.097 718 K HA -0.248 4.111 4.320 0.065 0.000 0.206 718 K C 1.681 178.302 176.600 0.036 0.000 1.049 718 K CA 1.982 58.296 56.287 0.046 0.000 0.933 718 K CB -0.168 32.351 32.500 0.031 0.000 0.717 718 K HN 0.423 nan 8.250 nan 0.000 0.442 719 D N 0.446 120.846 120.400 -0.001 0.000 2.084 719 D HA -0.138 4.541 4.640 0.065 0.000 0.194 719 D C 1.964 178.232 176.300 -0.053 0.000 0.990 719 D CA 1.136 55.111 54.000 -0.041 0.000 0.826 719 D CB -0.324 40.418 40.800 -0.097 0.000 0.971 719 D HN 0.005 nan 8.370 nan 0.000 0.453 720 V N 0.502 120.355 119.914 -0.100 0.000 2.469 720 V HA -0.196 3.963 4.120 0.065 0.000 0.251 720 V C 2.505 178.605 176.094 0.011 0.000 1.064 720 V CA 1.017 63.273 62.300 -0.074 0.000 1.066 720 V CB -0.320 31.455 31.823 -0.080 0.000 0.667 720 V HN 0.072 nan 8.190 nan 0.000 0.461 721 V N -0.988 118.958 119.914 0.053 0.000 2.379 721 V HA -0.155 4.004 4.120 0.065 0.000 0.245 721 V C 2.356 178.485 176.094 0.059 0.000 1.044 721 V CA 1.625 63.977 62.300 0.085 0.000 1.036 721 V CB 0.236 32.122 31.823 0.105 0.000 0.664 721 V HN 0.381 nan 8.190 nan 0.000 0.453 722 V N 0.963 120.936 119.914 0.099 0.000 2.295 722 V HA -0.278 3.881 4.120 0.065 0.000 0.246 722 V C 2.608 178.747 176.094 0.074 0.000 1.049 722 V CA 2.450 64.845 62.300 0.159 0.000 1.024 722 V CB -0.591 31.324 31.823 0.153 0.000 0.648 722 V HN 0.877 nan 8.190 nan 0.000 0.447 723 E N -0.095 120.124 120.200 0.031 0.000 2.085 723 E HA -0.208 4.181 4.350 0.065 0.000 0.194 723 E C 2.047 178.642 176.600 -0.007 0.000 0.994 723 E CA 2.106 58.511 56.400 0.008 0.000 0.801 723 E CB -0.434 29.259 29.700 -0.012 0.000 0.743 723 E HN 0.420 nan 8.360 nan 0.000 0.453 724 V N 1.671 121.576 119.914 -0.017 0.000 2.379 724 V HA -0.156 4.003 4.120 0.065 0.000 0.245 724 V C 2.654 178.697 176.094 -0.084 0.000 1.044 724 V CA 1.616 63.895 62.300 -0.034 0.000 1.036 724 V CB -0.686 31.127 31.823 -0.018 0.000 0.664 724 V HN 0.498 nan 8.190 nan 0.000 0.453 725 A N -0.507 122.221 122.820 -0.153 0.000 2.024 725 A HA -0.188 4.171 4.320 0.065 0.000 0.220 725 A C 2.187 179.639 177.584 -0.221 0.000 1.164 725 A CA 1.585 53.408 52.037 -0.355 0.000 0.643 725 A CB -0.301 18.160 19.000 -0.899 0.000 0.806 725 A HN 0.514 nan 8.150 nan 0.000 0.451 726 E N -0.791 119.365 120.200 -0.073 0.000 2.060 726 E HA -0.098 4.291 4.350 0.065 0.000 0.189 726 E C 2.089 178.680 176.600 -0.016 0.000 0.974 726 E CA 0.661 57.060 56.400 -0.001 0.000 0.808 726 E CB -0.409 29.318 29.700 0.046 0.000 0.768 726 E HN 0.573 nan 8.360 nan 0.000 0.453 727 Q N 0.869 120.655 119.800 -0.023 0.000 2.291 727 Q HA -0.069 4.310 4.340 0.065 0.000 0.206 727 Q C 2.098 178.079 176.000 -0.032 0.000 0.976 727 Q CA 0.581 56.371 55.803 -0.022 0.000 0.875 727 Q CB 0.131 28.857 28.738 -0.021 0.000 0.927 727 Q HN 0.109 nan 8.270 nan 0.000 0.450 728 V N 1.030 120.913 119.914 -0.052 0.000 2.488 728 V HA -0.153 4.007 4.120 0.065 0.000 0.246 728 V C 0.819 176.885 176.094 -0.047 0.000 1.046 728 V CA 1.117 63.384 62.300 -0.056 0.000 1.053 728 V CB -0.253 31.526 31.823 -0.073 0.000 0.679 728 V HN 0.250 nan 8.190 nan 0.000 0.458 729 K N 2.949 123.323 120.400 -0.044 0.000 2.021 729 K HA 0.035 4.394 4.320 0.065 0.000 0.238 729 K C 0.490 177.079 176.600 -0.018 0.000 1.149 729 K CA 0.275 56.547 56.287 -0.026 0.000 1.105 729 K CB -0.443 32.050 32.500 -0.011 0.000 1.246 729 K HN 0.604 nan 8.250 nan 0.000 0.307 730 K N 1.292 121.679 120.400 -0.021 0.000 3.017 730 K HA 0.089 4.449 4.320 0.065 0.000 0.178 730 K C -0.341 176.248 176.600 -0.018 0.000 1.103 730 K CA -0.245 56.032 56.287 -0.017 0.000 1.084 730 K CB 0.385 32.875 32.500 -0.016 0.000 0.711 730 K HN 0.194 nan 8.250 nan 0.000 0.416 731 E N 0.982 121.170 120.200 -0.020 0.000 2.419 731 E HA 0.093 4.482 4.350 0.065 0.000 0.197 731 E C 0.677 177.267 176.600 -0.017 0.000 0.920 731 E CA -0.081 56.307 56.400 -0.020 0.000 1.085 731 E CB 0.570 30.256 29.700 -0.023 0.000 1.084 731 E HN 0.174 nan 8.360 nan 0.000 0.490 732 K N -0.017 120.373 120.400 -0.018 0.000 2.761 732 K HA 0.160 4.519 4.320 0.065 0.000 0.196 732 K C 0.300 176.892 176.600 -0.012 0.000 1.134 732 K CA 0.517 56.796 56.287 -0.015 0.000 1.082 732 K CB 0.925 33.415 32.500 -0.016 0.000 0.768 732 K HN 0.289 nan 8.250 nan 0.000 0.475 733 G N 1.318 110.111 108.800 -0.011 0.000 2.309 733 G HA2 -0.389 3.610 3.960 0.065 0.000 0.286 733 G HA3 -0.389 3.610 3.960 0.065 0.000 0.286 733 G C 0.591 175.489 174.900 -0.003 0.000 1.002 733 G CA 1.069 46.166 45.100 -0.006 0.000 0.786 733 G HN 0.455 nan 8.290 nan 0.000 0.511 734 S N 0.230 115.923 115.700 -0.012 0.000 2.788 734 S HA -0.448 4.061 4.470 0.065 0.000 0.446 734 S C 1.262 175.860 174.600 -0.003 0.000 1.224 734 S CA 3.277 61.469 58.200 -0.013 0.000 2.279 734 S CB -0.764 62.427 63.200 -0.016 0.000 1.802 734 S HN 1.732 nan 8.310 nan 0.000 0.487 735 D N -0.901 119.507 120.400 0.013 0.000 2.835 735 D HA -0.152 4.527 4.640 0.065 0.000 0.230 735 D C 0.016 176.331 176.300 0.025 0.000 1.130 735 D CA 1.035 55.050 54.000 0.025 0.000 0.738 735 D CB -1.449 39.358 40.800 0.010 0.000 1.090 735 D HN 0.653 nan 8.370 nan 0.000 0.433 736 M N 0.659 120.280 119.600 0.034 0.000 2.239 736 M HA 0.088 4.607 4.480 0.065 0.000 0.348 736 M C 0.075 176.433 176.300 0.096 0.000 1.239 736 M CA 0.451 55.768 55.300 0.028 0.000 1.114 736 M CB 0.471 33.079 32.600 0.013 0.000 1.641 736 M HN -0.023 nan 8.290 nan 0.000 0.453 737 Q N 4.542 124.352 119.800 0.018 0.000 2.235 737 Q HA 0.529 4.908 4.340 0.065 0.000 0.250 737 Q C -1.488 174.464 176.000 -0.080 0.000 0.909 737 Q CA -0.366 55.390 55.803 -0.078 0.000 0.910 737 Q CB 0.724 29.377 28.738 -0.141 0.000 1.223 737 Q HN 0.572 nan 8.270 nan 0.000 0.432 738 Y N -2.561 117.578 120.300 -0.268 0.000 2.638 738 Y HA 0.732 5.320 4.550 0.065 0.000 0.339 738 Y C -0.890 174.814 175.900 -0.328 0.000 1.084 738 Y CA -1.436 56.506 58.100 -0.263 0.000 1.068 738 Y CB 1.413 39.818 38.460 -0.093 0.000 1.294 738 Y HN 0.551 nan 8.280 nan 0.000 0.480 739 H N 1.955 121.146 119.070 0.201 0.000 2.667 739 H HA 0.489 5.084 4.556 0.065 0.000 0.353 739 H C -1.208 174.325 175.328 0.341 0.000 1.072 739 H CA -0.818 55.349 56.048 0.198 0.000 1.214 739 H CB 2.318 32.243 29.762 0.273 0.000 1.600 739 H HN 0.522 nan 8.280 nan 0.000 0.527 740 I N 2.468 123.222 120.570 0.308 0.000 2.339 740 I HA 0.447 4.657 4.170 0.065 0.000 0.290 740 I C 1.045 177.013 176.117 -0.249 0.000 0.994 740 I CA -0.244 61.125 61.300 0.115 0.000 1.191 740 I CB 0.935 38.968 38.000 0.055 0.000 1.343 740 I HN 0.659 nan 8.210 nan 0.000 0.458 741 G N 3.723 112.050 108.800 -0.789 0.000 3.176 741 G HA2 0.707 4.706 3.960 0.065 0.000 0.272 741 G HA3 0.707 4.706 3.960 0.065 0.000 0.272 741 G C -1.181 173.222 174.900 -0.829 0.000 1.349 741 G CA -0.345 43.757 45.100 -1.662 0.000 0.953 741 G HN 0.518 nan 8.290 nan 0.000 0.559 742 T N -0.439 113.763 114.554 -0.587 0.000 2.864 742 T HA 0.514 4.903 4.350 0.065 0.000 0.299 742 T C -0.839 173.788 174.700 -0.122 0.000 1.166 742 T CA -0.614 61.344 62.100 -0.238 0.000 1.007 742 T CB 1.434 70.201 68.868 -0.169 0.000 1.219 742 T HN 0.285 nan 8.240 nan 0.000 0.506 743 M N 3.238 122.791 119.600 -0.079 0.000 2.120 743 M HA 0.356 4.875 4.480 0.065 0.000 0.354 743 M C -0.640 175.564 176.300 -0.161 0.000 1.287 743 M CA -0.585 54.682 55.300 -0.055 0.000 1.103 743 M CB 0.481 33.090 32.600 0.015 0.000 1.623 743 M HN 0.398 nan 8.290 nan 0.000 0.471 744 I N 4.733 125.147 120.570 -0.260 0.000 2.276 744 I HA 0.133 4.342 4.170 0.065 0.000 0.290 744 I C 1.074 177.169 176.117 -0.037 0.000 1.109 744 I CA 0.044 61.177 61.300 -0.279 0.000 1.229 744 I CB -0.459 37.253 38.000 -0.480 0.000 1.452 744 I HN 0.662 nan 8.210 nan 0.000 0.497 745 E N 5.128 125.319 120.200 -0.014 0.000 2.759 745 E HA 0.312 4.701 4.350 0.065 0.000 0.220 745 E C -0.139 176.482 176.600 0.035 0.000 0.974 745 E CA -0.144 56.285 56.400 0.049 0.000 1.148 745 E CB 1.065 30.806 29.700 0.067 0.000 1.059 745 E HN 0.213 nan 8.360 nan 0.000 0.493 746 I N 1.718 122.291 120.570 0.004 0.000 2.689 746 I HA 0.266 4.475 4.170 0.065 0.000 0.299 746 I C -2.055 174.058 176.117 -0.007 0.000 1.059 746 I CA -2.849 58.452 61.300 0.002 0.000 1.055 746 I CB 2.062 40.054 38.000 -0.013 0.000 1.243 746 I HN -0.190 nan 8.210 nan 0.000 0.425 747 P HA 0.052 nan 4.420 nan 0.000 0.225 747 P C 1.435 178.725 177.300 -0.017 0.000 1.156 747 P CA 0.796 63.892 63.100 -0.007 0.000 0.787 747 P CB 0.292 31.986 31.700 -0.010 0.000 0.802 748 R N 0.276 120.763 120.500 -0.022 0.000 2.096 748 R HA -0.071 4.309 4.340 0.065 0.000 0.235 748 R C 2.110 178.384 176.300 -0.042 0.000 1.127 748 R CA 1.475 57.559 56.100 -0.026 0.000 0.968 748 R CB -0.762 29.524 30.300 -0.023 0.000 0.861 748 R HN 0.063 nan 8.270 nan 0.000 0.440 749 A N 0.698 123.478 122.820 -0.067 0.000 1.883 749 A HA -0.160 4.199 4.320 0.065 0.000 0.217 749 A C 2.333 179.833 177.584 -0.140 0.000 1.186 749 A CA 1.828 53.789 52.037 -0.127 0.000 0.624 749 A CB -0.844 18.047 19.000 -0.180 0.000 0.822 749 A HN 0.514 nan 8.150 nan 0.000 0.444 750 A N -0.367 122.406 122.820 -0.079 0.000 1.933 750 A HA -0.018 4.341 4.320 0.065 0.000 0.218 750 A C 2.137 179.724 177.584 0.003 0.000 1.175 750 A CA 1.487 53.513 52.037 -0.019 0.000 0.628 750 A CB -0.568 18.461 19.000 0.048 0.000 0.814 750 A HN 0.494 nan 8.150 nan 0.000 0.444 751 L N -0.393 120.826 121.223 -0.006 0.000 2.156 751 L HA -0.068 4.311 4.340 0.065 0.000 0.208 751 L C 2.099 178.975 176.870 0.009 0.000 1.095 751 L CA 1.589 56.432 54.840 0.005 0.000 0.770 751 L CB -0.585 41.472 42.059 -0.002 0.000 0.914 751 L HN 0.586 nan 8.230 nan 0.000 0.439 752 T N -3.679 110.871 114.554 -0.006 0.000 3.258 752 T HA 0.429 4.818 4.350 0.065 0.000 0.263 752 T C 1.423 176.136 174.700 0.021 0.000 0.983 752 T CA 0.250 62.354 62.100 0.006 0.000 0.907 752 T CB 0.639 69.505 68.868 -0.003 0.000 1.096 752 T HN 0.167 nan 8.240 nan 0.000 0.556 753 A N 3.066 125.909 122.820 0.038 0.000 1.908 753 A HA -0.179 4.180 4.320 0.065 0.000 0.218 753 A C 2.242 179.972 177.584 0.244 0.000 1.181 753 A CA 1.907 54.017 52.037 0.121 0.000 0.627 753 A CB -0.755 18.373 19.000 0.215 0.000 0.818 753 A HN 0.761 nan 8.150 nan 0.000 0.445 754 D N 0.533 121.024 120.400 0.152 0.000 2.149 754 D HA -0.097 4.582 4.640 0.065 0.000 0.198 754 D C 1.712 178.064 176.300 0.087 0.000 0.990 754 D CA 1.696 55.763 54.000 0.110 0.000 0.839 754 D CB -0.700 40.140 40.800 0.067 0.000 0.948 754 D HN 0.436 nan 8.370 nan 0.000 0.460 755 A N 0.427 123.291 122.820 0.074 0.000 1.975 755 A HA 0.082 4.441 4.320 0.065 0.000 0.215 755 A C 2.378 180.003 177.584 0.070 0.000 1.170 755 A CA 0.317 52.387 52.037 0.054 0.000 0.656 755 A CB -0.303 18.718 19.000 0.035 0.000 0.821 755 A HN 0.165 nan 8.150 nan 0.000 0.449 756 I N 0.198 120.829 120.570 0.102 0.000 2.315 756 I HA -0.205 4.004 4.170 0.065 0.000 0.248 756 I C 2.815 179.039 176.117 0.179 0.000 1.117 756 I CA 1.428 62.790 61.300 0.104 0.000 1.404 756 I CB -1.346 36.671 38.000 0.028 0.000 1.071 756 I HN 0.360 nan 8.210 nan 0.000 0.419 757 A N 0.411 123.379 122.820 0.246 0.000 2.125 757 A HA -0.196 4.163 4.320 0.065 0.000 0.219 757 A C 2.116 179.707 177.584 0.012 0.000 1.156 757 A CA 1.216 53.306 52.037 0.089 0.000 0.671 757 A CB -0.610 18.346 19.000 -0.075 0.000 0.794 757 A HN 0.465 nan 8.150 nan 0.000 0.459 758 E N -0.446 119.770 120.200 0.028 0.000 2.204 758 E HA -0.154 4.235 4.350 0.065 0.000 0.195 758 E C 1.423 178.022 176.600 -0.001 0.000 0.990 758 E CA 1.219 57.623 56.400 0.007 0.000 0.821 758 E CB 0.062 29.770 29.700 0.013 0.000 0.750 758 E HN 0.590 nan 8.360 nan 0.000 0.477 759 E N -0.775 119.429 120.200 0.006 0.000 2.465 759 E HA 0.175 4.565 4.350 0.065 0.000 0.209 759 E C -0.040 176.542 176.600 -0.030 0.000 0.951 759 E CA 0.066 56.462 56.400 -0.005 0.000 0.997 759 E CB 1.023 30.727 29.700 0.007 0.000 1.025 759 E HN 0.053 nan 8.360 nan 0.000 0.500 760 A N 1.449 124.250 122.820 -0.032 0.000 2.276 760 A HA 0.296 4.655 4.320 0.065 0.000 0.316 760 A C 0.721 178.212 177.584 -0.155 0.000 1.229 760 A CA -0.402 51.575 52.037 -0.100 0.000 0.851 760 A CB 0.712 19.716 19.000 0.006 0.000 1.165 760 A HN -0.059 nan 8.150 nan 0.000 0.513 761 E N 1.108 121.202 120.200 -0.175 0.000 2.285 761 E HA 0.087 4.476 4.350 0.065 0.000 0.194 761 E C -0.481 176.107 176.600 -0.022 0.000 0.997 761 E CA 0.840 57.201 56.400 -0.066 0.000 0.845 761 E CB -0.020 29.727 29.700 0.077 0.000 0.782 761 E HN 0.748 nan 8.360 nan 0.000 0.491 762 F N -2.041 117.852 119.950 -0.095 0.000 2.713 762 F HA 0.548 5.114 4.527 0.065 0.000 0.311 762 F C -1.324 174.509 175.800 0.056 0.000 1.141 762 F CA -1.677 56.259 58.000 -0.106 0.000 0.939 762 F CB 0.850 39.835 39.000 -0.025 0.000 1.325 762 F HN -0.384 nan 8.300 nan 0.000 0.453 763 F N 1.337 121.288 119.950 0.001 0.000 2.444 763 F HA 0.647 5.216 4.527 0.070 0.000 0.342 763 F C 0.081 175.763 175.800 -0.197 0.000 1.121 763 F CA -1.574 56.276 58.000 -0.249 0.000 0.997 763 F CB 1.790 40.472 39.000 -0.530 0.000 1.130 763 F HN 0.627 nan 8.300 nan 0.000 0.454 764 S N 3.995 119.704 115.700 0.015 0.000 2.530 764 S HA 0.608 5.117 4.470 0.065 0.000 0.322 764 S C -0.967 173.573 174.600 -0.101 0.000 1.085 764 S CA -0.392 57.840 58.200 0.052 0.000 1.096 764 S CB 0.044 63.395 63.200 0.251 0.000 0.988 764 S HN 0.278 nan 8.310 nan 0.000 0.466 765 F N 3.168 123.178 119.950 0.099 0.000 2.438 765 F HA 0.394 4.958 4.527 0.062 0.000 0.360 765 F C 1.358 177.210 175.800 0.087 0.000 1.118 765 F CA -0.425 57.616 58.000 0.068 0.000 1.164 765 F CB 0.895 39.931 39.000 0.060 0.000 1.131 765 F HN 0.672 nan 8.300 nan 0.000 0.527 766 G N 1.776 110.722 108.800 0.243 0.000 3.444 766 G HA2 0.257 4.256 3.960 0.065 0.000 0.315 766 G HA3 0.257 4.256 3.960 0.065 0.000 0.315 766 G C 0.882 175.903 174.900 0.203 0.000 1.079 766 G CA -0.388 44.833 45.100 0.202 0.000 1.500 766 G HN 0.714 nan 8.290 nan 0.000 0.518 767 T N -0.224 114.468 114.554 0.230 0.000 2.929 767 T HA -0.185 4.204 4.350 0.065 0.000 0.271 767 T C 2.003 176.840 174.700 0.228 0.000 1.085 767 T CA 1.026 63.218 62.100 0.152 0.000 1.125 767 T CB -0.000 68.909 68.868 0.068 0.000 0.874 767 T HN 0.329 nan 8.240 nan 0.000 0.494 768 N N 1.848 120.740 118.700 0.321 0.000 2.120 768 N HA -0.081 4.698 4.740 0.065 0.000 0.188 768 N C 1.386 177.051 175.510 0.259 0.000 1.024 768 N CA 1.487 54.731 53.050 0.325 0.000 0.852 768 N CB -0.316 38.300 38.487 0.215 0.000 1.003 768 N HN 0.420 nan 8.380 nan 0.000 0.424 769 D N -1.245 119.265 120.400 0.183 0.000 2.277 769 D HA 0.032 4.711 4.640 0.065 0.000 0.209 769 D C 1.605 177.976 176.300 0.118 0.000 0.970 769 D CA 0.016 54.103 54.000 0.146 0.000 0.874 769 D CB 0.015 40.883 40.800 0.114 0.000 0.982 769 D HN 0.085 nan 8.370 nan 0.000 0.504 770 L N 0.508 121.795 121.223 0.107 0.000 2.083 770 L HA -0.119 4.260 4.340 0.065 0.000 0.209 770 L C 2.009 178.909 176.870 0.049 0.000 1.083 770 L CA 1.729 56.613 54.840 0.072 0.000 0.752 770 L CB -0.886 41.218 42.059 0.076 0.000 0.899 770 L HN -0.021 nan 8.230 nan 0.000 0.433 771 T N -0.707 113.872 114.554 0.041 0.000 2.674 771 T HA -0.217 4.172 4.350 0.065 0.000 0.265 771 T C 1.711 176.418 174.700 0.011 0.000 1.039 771 T CA 1.707 63.788 62.100 -0.032 0.000 1.150 771 T CB -0.152 68.611 68.868 -0.175 0.000 0.864 771 T HN 0.477 nan 8.240 nan 0.000 0.427 772 Q N -0.199 119.690 119.800 0.149 0.000 2.508 772 Q HA 0.080 4.459 4.340 0.065 0.000 0.214 772 Q C 1.915 177.980 176.000 0.108 0.000 0.979 772 Q CA 0.803 56.724 55.803 0.198 0.000 0.911 772 Q CB -0.126 28.772 28.738 0.266 0.000 0.969 772 Q HN 0.533 nan 8.270 nan 0.000 0.504 773 M N -1.584 118.061 119.600 0.075 0.000 2.657 773 M HA -0.016 4.503 4.480 0.065 0.000 0.262 773 M C 1.844 178.152 176.300 0.013 0.000 1.213 773 M CA 0.785 56.115 55.300 0.051 0.000 1.182 773 M CB 0.504 33.133 32.600 0.049 0.000 1.303 773 M HN 0.046 nan 8.290 nan 0.000 0.501 774 T N 0.408 114.966 114.554 0.007 0.000 2.737 774 T HA -0.080 4.309 4.350 0.065 0.000 0.265 774 T C 1.323 175.933 174.700 -0.150 0.000 1.038 774 T CA 1.433 63.497 62.100 -0.060 0.000 1.144 774 T CB -0.318 68.523 68.868 -0.045 0.000 0.866 774 T HN 0.174 nan 8.240 nan 0.000 0.434 775 F N 1.100 120.859 119.950 -0.319 0.000 2.407 775 F HA 0.245 4.806 4.527 0.057 0.000 0.299 775 F C 2.055 177.640 175.800 -0.359 0.000 1.097 775 F CA 0.573 58.272 58.000 -0.501 0.000 1.422 775 F CB -0.513 37.762 39.000 -1.209 0.000 1.067 775 F HN 0.361 nan 8.300 nan 0.000 0.539 776 G N 0.622 109.405 108.800 -0.028 0.000 2.176 776 G HA2 -0.294 3.705 3.960 0.065 0.000 0.252 776 G HA3 -0.294 3.705 3.960 0.065 0.000 0.252 776 G C -0.200 174.842 174.900 0.238 0.000 1.024 776 G CA 0.246 45.392 45.100 0.077 0.000 0.755 776 G HN 0.402 nan 8.290 nan 0.000 0.507 777 F N -0.813 119.307 119.950 0.283 0.000 2.561 777 F HA 0.829 5.383 4.527 0.045 0.000 0.313 777 F C -0.135 175.823 175.800 0.263 0.000 1.126 777 F CA -2.286 55.892 58.000 0.296 0.000 0.918 777 F CB 1.076 40.329 39.000 0.422 0.000 1.199 777 F HN 0.207 nan 8.300 nan 0.000 0.444 778 S N 2.825 118.787 115.700 0.437 0.000 2.533 778 S HA 0.155 4.665 4.470 0.065 0.000 0.282 778 S C 1.469 176.127 174.600 0.096 0.000 1.304 778 S CA -0.156 58.180 58.200 0.226 0.000 1.063 778 S CB 0.470 63.750 63.200 0.134 0.000 0.881 778 S HN 0.927 nan 8.310 nan 0.000 0.493 779 R N 3.512 123.952 120.500 -0.100 0.000 2.081 779 R HA -0.118 4.261 4.340 0.065 0.000 0.235 779 R C 1.342 177.435 176.300 -0.345 0.000 1.131 779 R CA 2.538 58.339 56.100 -0.499 0.000 0.960 779 R CB -0.406 29.481 30.300 -0.689 0.000 0.856 779 R HN 0.785 nan 8.270 nan 0.000 0.436 780 D N -0.130 120.147 120.400 -0.204 0.000 2.149 780 D HA -0.151 4.529 4.640 0.065 0.000 0.198 780 D C 1.035 177.249 176.300 -0.144 0.000 0.990 780 D CA 1.650 55.557 54.000 -0.156 0.000 0.839 780 D CB 0.046 40.789 40.800 -0.094 0.000 0.948 780 D HN 0.352 nan 8.370 nan 0.000 0.460 781 D N -0.131 120.203 120.400 -0.110 0.000 2.346 781 D HA 0.088 4.767 4.640 0.065 0.000 0.206 781 D C 1.970 178.116 176.300 -0.257 0.000 1.001 781 D CA 0.298 54.248 54.000 -0.085 0.000 0.871 781 D CB 0.037 40.863 40.800 0.044 0.000 0.943 781 D HN 0.140 nan 8.370 nan 0.000 0.518 782 A N 1.715 124.247 122.820 -0.480 0.000 1.873 782 A HA -0.117 4.243 4.320 0.065 0.000 0.218 782 A C 2.421 179.154 177.584 -1.418 0.000 1.193 782 A CA 2.118 53.399 52.037 -1.260 0.000 0.629 782 A CB -1.415 17.000 19.000 -0.976 0.000 0.826 782 A HN 0.287 nan 8.150 nan 0.000 0.447 783 G N 0.507 108.891 108.800 -0.693 0.000 2.549 783 G HA2 -0.303 3.696 3.960 0.065 0.000 0.222 783 G HA3 -0.303 3.696 3.960 0.065 0.000 0.222 783 G C 1.336 176.034 174.900 -0.337 0.000 1.100 783 G CA 1.209 46.050 45.100 -0.431 0.000 0.739 783 G HN 0.808 nan 8.290 nan 0.000 0.577 784 K N -0.076 120.124 120.400 -0.333 0.000 2.555 784 K HA 0.132 4.491 4.320 0.065 0.000 0.193 784 K C 1.060 177.683 176.600 0.039 0.000 1.032 784 K CA 0.890 57.132 56.287 -0.075 0.000 1.004 784 K CB -0.187 32.344 32.500 0.052 0.000 0.804 784 K HN 0.622 nan 8.250 nan 0.000 0.496 785 F N -3.946 115.921 119.950 -0.139 0.000 3.031 785 F HA 0.303 4.858 4.527 0.047 0.000 0.365 785 F C 0.942 176.598 175.800 -0.240 0.000 1.128 785 F CA -0.826 57.086 58.000 -0.148 0.000 1.068 785 F CB -0.148 38.725 39.000 -0.210 0.000 1.280 785 F HN -0.249 nan 8.300 nan 0.000 0.529 786 L N 1.659 122.590 121.223 -0.486 0.000 2.083 786 L HA -0.064 4.315 4.340 0.065 0.000 0.209 786 L C 1.969 178.728 176.870 -0.185 0.000 1.083 786 L CA 1.791 56.368 54.840 -0.439 0.000 0.752 786 L CB -1.018 40.819 42.059 -0.371 0.000 0.899 786 L HN 0.234 nan 8.230 nan 0.000 0.433 787 D N -1.232 119.230 120.400 0.104 0.000 2.092 787 D HA -0.171 4.508 4.640 0.065 0.000 0.193 787 D C 2.194 178.622 176.300 0.213 0.000 0.994 787 D CA 1.550 55.726 54.000 0.293 0.000 0.828 787 D CB 0.132 41.033 40.800 0.168 0.000 0.963 787 D HN 0.242 nan 8.370 nan 0.000 0.450 788 S N -0.851 114.951 115.700 0.170 0.000 2.419 788 S HA -0.179 4.330 4.470 0.065 0.000 0.235 788 S C 1.716 176.413 174.600 0.163 0.000 1.019 788 S CA 0.615 58.911 58.200 0.159 0.000 0.982 788 S CB -0.423 62.883 63.200 0.177 0.000 0.789 788 S HN 0.351 nan 8.310 nan 0.000 0.490 789 Y N 0.491 120.709 120.300 -0.136 0.000 2.220 789 Y HA -0.044 4.550 4.550 0.073 0.000 0.291 789 Y C 2.080 177.840 175.900 -0.232 0.000 1.129 789 Y CA 0.275 58.212 58.100 -0.271 0.000 1.161 789 Y CB -0.824 37.390 38.460 -0.409 0.000 0.997 789 Y HN 0.253 nan 8.280 nan 0.000 0.522 790 Y N -0.148 120.275 120.300 0.205 0.000 2.109 790 Y HA -0.178 4.411 4.550 0.065 0.000 0.285 790 Y C 2.390 178.308 175.900 0.029 0.000 1.131 790 Y CA 1.099 59.263 58.100 0.107 0.000 1.121 790 Y CB -0.978 37.526 38.460 0.073 0.000 0.987 790 Y HN -0.104 nan 8.280 nan 0.000 0.495 791 K N 0.011 120.523 120.400 0.186 0.000 2.077 791 K HA -0.238 4.122 4.320 0.065 0.000 0.213 791 K C 1.881 178.491 176.600 0.017 0.000 1.051 791 K CA 1.709 58.043 56.287 0.078 0.000 0.929 791 K CB -0.453 32.086 32.500 0.065 0.000 0.715 791 K HN 0.312 nan 8.250 nan 0.000 0.451 792 A N 0.445 123.255 122.820 -0.016 0.000 2.302 792 A HA 0.038 4.397 4.320 0.065 0.000 0.219 792 A C 0.028 177.555 177.584 -0.095 0.000 1.243 792 A CA 0.302 52.293 52.037 -0.077 0.000 0.856 792 A CB -0.279 18.636 19.000 -0.142 0.000 0.893 792 A HN 0.351 nan 8.150 nan 0.000 0.491 793 K N -1.997 118.375 120.400 -0.048 0.000 3.349 793 K HA -0.243 4.116 4.320 0.065 0.000 0.310 793 K C 0.696 177.263 176.600 -0.055 0.000 1.267 793 K CA 1.267 57.529 56.287 -0.042 0.000 0.920 793 K CB -2.087 30.366 32.500 -0.078 0.000 1.240 793 K HN 0.559 nan 8.250 nan 0.000 0.453 794 I N -0.169 120.312 120.570 -0.149 0.000 2.286 794 I HA -0.195 4.015 4.170 0.065 0.000 0.248 794 I C 0.505 176.564 176.117 -0.097 0.000 1.115 794 I CA 1.230 62.372 61.300 -0.263 0.000 1.392 794 I CB 0.013 37.637 38.000 -0.627 0.000 1.065 794 I HN 0.095 nan 8.210 nan 0.000 0.418 795 Y N 0.447 120.790 120.300 0.072 0.000 2.329 795 Y HA 0.270 4.856 4.550 0.061 0.000 0.328 795 Y C 0.867 176.906 175.900 0.231 0.000 0.992 795 Y CA -1.675 56.509 58.100 0.140 0.000 1.151 795 Y CB 0.867 39.385 38.460 0.098 0.000 1.150 795 Y HN -0.004 nan 8.280 nan 0.000 0.450 796 E N 1.083 121.472 120.200 0.315 0.000 2.170 796 E HA 0.063 4.452 4.350 0.065 0.000 0.191 796 E C -0.188 176.512 176.600 0.167 0.000 0.981 796 E CA 0.632 57.138 56.400 0.176 0.000 0.830 796 E CB 0.407 30.137 29.700 0.049 0.000 0.775 796 E HN 0.443 nan 8.360 nan 0.000 0.470 797 S N 0.941 116.759 115.700 0.197 0.000 2.600 797 S HA 0.179 4.688 4.470 0.065 0.000 0.300 797 S C -0.558 174.144 174.600 0.170 0.000 1.087 797 S CA -1.022 57.231 58.200 0.088 0.000 0.965 797 S CB 2.212 65.412 63.200 -0.000 0.000 1.089 797 S HN 0.053 nan 8.310 nan 0.000 0.496 798 D N 2.229 122.658 120.400 0.048 0.000 2.343 798 D HA 0.150 4.829 4.640 0.065 0.000 0.255 798 D C -1.525 174.741 176.300 -0.057 0.000 1.187 798 D CA -1.784 52.281 54.000 0.107 0.000 0.875 798 D CB 1.309 42.124 40.800 0.025 0.000 1.136 798 D HN 0.125 nan 8.370 nan 0.000 0.469 799 P HA -0.064 nan 4.420 nan 0.000 0.226 799 P C 0.865 177.797 177.300 -0.613 0.000 1.153 799 P CA 0.565 63.278 63.100 -0.646 0.000 0.777 799 P CB -0.085 30.835 31.700 -1.299 0.000 0.794 800 F N -0.540 119.398 119.950 -0.020 0.000 2.773 800 F HA 0.370 4.933 4.527 0.060 0.000 0.304 800 F C 2.102 177.841 175.800 -0.101 0.000 1.129 800 F CA 0.380 58.398 58.000 0.029 0.000 1.378 800 F CB -0.384 38.595 39.000 -0.034 0.000 1.095 800 F HN 0.005 nan 8.300 nan 0.000 0.565 801 A N -0.541 122.315 122.820 0.060 0.000 2.140 801 A HA 0.351 4.711 4.320 0.065 0.000 0.199 801 A C 0.853 178.448 177.584 0.018 0.000 1.416 801 A CA -0.218 51.798 52.037 -0.035 0.000 1.018 801 A CB 0.463 19.463 19.000 0.001 0.000 1.117 801 A HN 0.088 nan 8.150 nan 0.000 0.480 802 R N 0.212 120.761 120.500 0.082 0.000 2.409 802 R HA 0.451 4.831 4.340 0.065 0.000 0.313 802 R C -1.339 174.976 176.300 0.025 0.000 0.953 802 R CA -0.812 55.332 56.100 0.073 0.000 0.849 802 R CB 2.000 32.297 30.300 -0.005 0.000 1.171 802 R HN 0.268 nan 8.270 nan 0.000 0.458 803 L N 3.104 124.311 121.223 -0.026 0.000 2.628 803 L HA -0.063 4.316 4.340 0.065 0.000 0.274 803 L C 0.015 176.682 176.870 -0.337 0.000 1.209 803 L CA 0.458 55.084 54.840 -0.356 0.000 0.930 803 L CB 0.058 41.861 42.059 -0.426 0.000 1.183 803 L HN 0.507 nan 8.230 nan 0.000 0.492 804 D N 3.942 124.141 120.400 -0.335 0.000 2.348 804 D HA 0.006 4.685 4.640 0.065 0.000 0.259 804 D C 0.673 176.791 176.300 -0.303 0.000 1.296 804 D CA 0.368 54.243 54.000 -0.209 0.000 0.931 804 D CB 0.673 41.480 40.800 0.012 0.000 1.067 804 D HN 0.698 nan 8.370 nan 0.000 0.503 805 Q N 1.892 121.495 119.800 -0.329 0.000 2.472 805 Q HA -0.013 4.366 4.340 0.065 0.000 0.208 805 Q C 1.125 177.005 176.000 -0.199 0.000 0.958 805 Q CA 0.765 56.310 55.803 -0.429 0.000 0.932 805 Q CB 0.462 28.966 28.738 -0.389 0.000 1.007 805 Q HN 0.494 nan 8.270 nan 0.000 0.508 806 T N -1.224 113.257 114.554 -0.122 0.000 3.010 806 T HA 0.056 4.446 4.350 0.065 0.000 0.252 806 T C 1.407 176.058 174.700 -0.082 0.000 1.047 806 T CA 0.875 62.935 62.100 -0.067 0.000 1.140 806 T CB 0.213 69.060 68.868 -0.035 0.000 0.885 806 T HN 0.455 nan 8.240 nan 0.000 0.464 807 G N 0.824 109.552 108.800 -0.119 0.000 2.765 807 G HA2 0.072 4.071 3.960 0.065 0.000 0.218 807 G HA3 0.072 4.071 3.960 0.065 0.000 0.218 807 G C 1.534 176.361 174.900 -0.121 0.000 1.271 807 G CA 0.314 45.326 45.100 -0.146 0.000 0.865 807 G HN 0.268 nan 8.290 nan 0.000 0.604 808 V N 2.079 121.925 119.914 -0.113 0.000 2.324 808 V HA -0.129 4.031 4.120 0.065 0.000 0.250 808 V C 3.052 179.046 176.094 -0.165 0.000 1.060 808 V CA 2.180 64.408 62.300 -0.120 0.000 1.042 808 V CB -1.086 30.664 31.823 -0.121 0.000 0.650 808 V HN 0.447 nan 8.190 nan 0.000 0.450 809 G N -1.892 106.747 108.800 -0.270 0.000 2.559 809 G HA2 -0.232 3.768 3.960 0.065 0.000 0.216 809 G HA3 -0.232 3.768 3.960 0.065 0.000 0.216 809 G C 1.455 176.405 174.900 0.082 0.000 1.126 809 G CA 0.618 45.562 45.100 -0.261 0.000 0.778 809 G HN 0.548 nan 8.290 nan 0.000 0.543 810 Q N -0.592 119.209 119.800 0.001 0.000 2.096 810 Q HA 0.164 4.543 4.340 0.065 0.000 0.197 810 Q C 2.500 178.518 176.000 0.030 0.000 0.964 810 Q CA 0.349 56.174 55.803 0.036 0.000 0.838 810 Q CB -0.109 28.627 28.738 -0.003 0.000 0.906 810 Q HN 0.445 nan 8.270 nan 0.000 0.444 811 L N -0.148 121.076 121.223 0.003 0.000 2.083 811 L HA -0.158 4.221 4.340 0.065 0.000 0.209 811 L C 2.286 179.182 176.870 0.044 0.000 1.083 811 L CA 0.694 55.545 54.840 0.019 0.000 0.752 811 L CB -0.282 41.780 42.059 0.005 0.000 0.899 811 L HN 0.152 nan 8.230 nan 0.000 0.433 812 V N 0.054 119.956 119.914 -0.021 0.000 2.427 812 V HA -0.263 3.896 4.120 0.065 0.000 0.248 812 V C 2.478 178.500 176.094 -0.120 0.000 1.051 812 V CA 1.945 64.121 62.300 -0.207 0.000 1.048 812 V CB -0.313 31.297 31.823 -0.356 0.000 0.666 812 V HN 0.539 nan 8.190 nan 0.000 0.456 813 E N 0.817 121.013 120.200 -0.006 0.000 2.046 813 E HA -0.256 4.133 4.350 0.065 0.000 0.190 813 E C 2.245 178.870 176.600 0.042 0.000 0.982 813 E CA 1.707 58.104 56.400 -0.004 0.000 0.800 813 E CB -0.223 29.495 29.700 0.030 0.000 0.756 813 E HN 0.691 nan 8.360 nan 0.000 0.449 814 M N -0.760 118.878 119.600 0.063 0.000 2.630 814 M HA 0.165 4.685 4.480 0.065 0.000 0.254 814 M C 1.805 178.183 176.300 0.129 0.000 1.092 814 M CA 1.362 56.708 55.300 0.076 0.000 1.087 814 M CB 0.267 32.901 32.600 0.056 0.000 1.453 814 M HN 0.099 nan 8.290 nan 0.000 0.509 815 A N 0.436 123.376 122.820 0.200 0.000 2.030 815 A HA 0.129 4.488 4.320 0.065 0.000 0.215 815 A C 2.023 179.889 177.584 0.470 0.000 1.164 815 A CA 0.838 53.067 52.037 0.321 0.000 0.697 815 A CB -0.490 18.705 19.000 0.326 0.000 0.827 815 A HN 0.381 nan 8.150 nan 0.000 0.457 816 V N 0.762 120.911 119.914 0.392 0.000 2.283 816 V HA -0.243 3.917 4.120 0.065 0.000 0.243 816 V C 2.508 178.693 176.094 0.151 0.000 1.039 816 V CA 2.222 64.700 62.300 0.296 0.000 1.016 816 V CB -0.711 31.217 31.823 0.175 0.000 0.650 816 V HN 0.720 nan 8.190 nan 0.000 0.449 817 K N 0.432 120.895 120.400 0.104 0.000 2.113 817 K HA -0.253 4.106 4.320 0.065 0.000 0.208 817 K C 2.102 178.741 176.600 0.066 0.000 1.047 817 K CA 1.876 58.199 56.287 0.060 0.000 0.928 817 K CB -0.093 32.433 32.500 0.044 0.000 0.716 817 K HN 0.433 nan 8.250 nan 0.000 0.446 818 K N -0.784 119.678 120.400 0.104 0.000 2.128 818 K HA 0.044 4.403 4.320 0.065 0.000 0.202 818 K C 2.225 178.892 176.600 0.110 0.000 1.050 818 K CA 0.808 57.154 56.287 0.098 0.000 0.966 818 K CB -0.037 32.531 32.500 0.113 0.000 0.759 818 K HN 0.294 nan 8.250 nan 0.000 0.454 819 G N 1.746 110.658 108.800 0.188 0.000 2.432 819 G HA2 -0.232 3.767 3.960 0.065 0.000 0.219 819 G HA3 -0.232 3.767 3.960 0.065 0.000 0.219 819 G C 1.411 176.261 174.900 -0.083 0.000 1.135 819 G CA 0.381 45.530 45.100 0.082 0.000 0.767 819 G HN 0.145 nan 8.290 nan 0.000 0.550 820 R N -0.119 120.356 120.500 -0.042 0.000 2.313 820 R HA 0.099 4.479 4.340 0.065 0.000 0.199 820 R C 2.240 178.524 176.300 -0.027 0.000 0.958 820 R CA 0.338 56.405 56.100 -0.055 0.000 1.047 820 R CB -0.020 30.258 30.300 -0.037 0.000 0.955 820 R HN 0.458 nan 8.270 nan 0.000 0.481 821 Q N -0.253 119.544 119.800 -0.004 0.000 2.212 821 Q HA -0.054 4.325 4.340 0.065 0.000 0.199 821 Q C 1.926 177.921 176.000 -0.008 0.000 0.950 821 Q CA 1.787 57.590 55.803 -0.000 0.000 0.863 821 Q CB 0.359 29.105 28.738 0.013 0.000 0.944 821 Q HN 0.371 nan 8.270 nan 0.000 0.465 822 T N -2.189 112.358 114.554 -0.011 0.000 2.976 822 T HA 0.057 4.446 4.350 0.065 0.000 0.257 822 T C 1.082 175.757 174.700 -0.041 0.000 1.051 822 T CA 0.147 62.237 62.100 -0.017 0.000 1.141 822 T CB 0.191 69.057 68.868 -0.003 0.000 0.881 822 T HN -0.059 nan 8.240 nan 0.000 0.461 823 R N 1.615 122.072 120.500 -0.071 0.000 2.494 823 R HA 0.333 4.712 4.340 0.065 0.000 0.284 823 R C -2.287 173.956 176.300 -0.095 0.000 1.525 823 R CA -2.150 53.895 56.100 -0.091 0.000 1.460 823 R CB 1.194 31.411 30.300 -0.139 0.000 1.134 823 R HN 0.085 nan 8.270 nan 0.000 0.592 824 P HA -0.179 nan 4.420 nan 0.000 0.217 824 P C 0.888 178.152 177.300 -0.061 0.000 1.162 824 P CA 1.631 64.698 63.100 -0.054 0.000 0.901 824 P CB 0.157 31.834 31.700 -0.038 0.000 0.793 825 G N -0.934 107.830 108.800 -0.061 0.000 3.379 825 G HA2 0.162 4.161 3.960 0.065 0.000 0.253 825 G HA3 0.162 4.161 3.960 0.065 0.000 0.253 825 G C 0.088 174.940 174.900 -0.080 0.000 1.262 825 G CA -0.339 44.726 45.100 -0.058 0.000 0.959 825 G HN 0.236 nan 8.290 nan 0.000 0.524 826 L N 0.422 121.576 121.223 -0.116 0.000 2.513 826 L HA 0.408 4.787 4.340 0.065 0.000 0.272 826 L C 0.031 176.829 176.870 -0.120 0.000 1.187 826 L CA -0.301 54.437 54.840 -0.170 0.000 0.895 826 L CB 0.571 42.438 42.059 -0.319 0.000 1.147 826 L HN -0.179 nan 8.230 nan 0.000 0.483 827 K N 4.218 124.581 120.400 -0.062 0.000 2.276 827 K HA 0.410 4.769 4.320 0.065 0.000 0.283 827 K C -0.949 175.676 176.600 0.042 0.000 1.044 827 K CA 0.010 56.310 56.287 0.022 0.000 0.944 827 K CB 0.762 33.309 32.500 0.077 0.000 1.012 827 K HN 0.694 nan 8.250 nan 0.000 0.472 828 C N 1.868 121.189 119.300 0.035 0.000 2.507 828 C HA 0.912 5.411 4.460 0.065 0.000 0.319 828 C C 0.446 175.326 174.990 -0.184 0.000 1.208 828 C CA -0.792 58.258 59.018 0.053 0.000 1.619 828 C CB 1.285 29.157 27.740 0.221 0.000 2.230 828 C HN 0.873 nan 8.230 nan 0.000 0.492 829 G N 0.967 109.595 108.800 -0.287 0.000 2.690 829 G HA2 0.748 4.747 3.960 0.065 0.000 0.291 829 G HA3 0.748 4.747 3.960 0.065 0.000 0.291 829 G C -1.884 172.960 174.900 -0.093 0.000 1.403 829 G CA -0.358 44.216 45.100 -0.876 0.000 0.864 829 G HN 0.809 nan 8.290 nan 0.000 0.480 830 I N -0.627 119.910 120.570 -0.056 0.000 2.646 830 I HA 0.583 4.792 4.170 0.065 0.000 0.299 830 I C 0.484 176.717 176.117 0.193 0.000 1.036 830 I CA -0.992 60.416 61.300 0.180 0.000 1.074 830 I CB 2.139 40.240 38.000 0.169 0.000 1.258 830 I HN 0.813 nan 8.210 nan 0.000 0.430 831 C N 3.640 123.074 119.300 0.224 0.000 3.725 831 C HA 0.596 5.096 4.460 0.065 0.000 0.294 831 C C 0.736 175.835 174.990 0.182 0.000 2.443 831 C CA -0.031 59.111 59.018 0.206 0.000 1.613 831 C CB -1.246 26.628 27.740 0.222 0.000 3.378 831 C HN 0.807 nan 8.230 nan 0.000 0.406 832 G N 0.812 109.737 108.800 0.208 0.000 2.494 832 G HA2 0.421 4.420 3.960 0.065 0.000 0.270 832 G HA3 0.421 4.420 3.960 0.065 0.000 0.270 832 G C 0.486 175.431 174.900 0.074 0.000 1.423 832 G CA -0.188 45.023 45.100 0.185 0.000 1.055 832 G HN 0.518 nan 8.290 nan 0.000 0.536 833 E N -1.023 119.123 120.200 -0.090 0.000 2.427 833 E HA -0.025 4.364 4.350 0.065 0.000 0.196 833 E C 1.769 178.281 176.600 -0.147 0.000 1.028 833 E CA 0.270 56.590 56.400 -0.133 0.000 0.864 833 E CB 0.034 29.613 29.700 -0.202 0.000 0.813 833 E HN 0.622 nan 8.360 nan 0.000 0.514 834 H N -0.549 118.558 119.070 0.061 0.000 2.545 834 H HA -0.017 4.577 4.556 0.062 0.000 0.282 834 H C 2.169 177.535 175.328 0.064 0.000 1.020 834 H CA 0.844 56.919 56.048 0.045 0.000 1.243 834 H CB -0.049 29.727 29.762 0.025 0.000 1.377 834 H HN 0.194 nan 8.280 nan 0.000 0.581 835 G N -0.053 108.835 108.800 0.147 0.000 2.422 835 G HA2 -0.174 3.825 3.960 0.065 0.000 0.218 835 G HA3 -0.174 3.825 3.960 0.065 0.000 0.218 835 G C 1.691 176.657 174.900 0.110 0.000 1.140 835 G CA 0.703 45.886 45.100 0.139 0.000 0.775 835 G HN 0.494 nan 8.290 nan 0.000 0.545 836 G N -0.377 108.471 108.800 0.081 0.000 3.371 836 G HA2 0.289 4.288 3.960 0.065 0.000 0.248 836 G HA3 0.289 4.288 3.960 0.065 0.000 0.248 836 G C -0.482 174.454 174.900 0.060 0.000 1.161 836 G CA -0.070 45.072 45.100 0.071 0.000 0.796 836 G HN 0.332 nan 8.290 nan 0.000 0.539 837 D N 0.291 120.734 120.400 0.071 0.000 2.396 837 D HA 0.353 5.032 4.640 0.065 0.000 0.225 837 D C -1.163 175.182 176.300 0.074 0.000 1.121 837 D CA -2.258 51.781 54.000 0.064 0.000 0.853 837 D CB 1.849 42.695 40.800 0.076 0.000 1.043 837 D HN -0.112 nan 8.370 nan 0.000 0.500 838 P HA -0.212 nan 4.420 nan 0.000 0.218 838 P C 1.172 178.514 177.300 0.070 0.000 1.152 838 P CA 0.985 64.121 63.100 0.059 0.000 0.857 838 P CB 0.297 32.023 31.700 0.043 0.000 0.787 839 S N -1.550 114.190 115.700 0.066 0.000 2.362 839 S HA -0.074 4.436 4.470 0.065 0.000 0.221 839 S C 2.049 176.714 174.600 0.108 0.000 1.032 839 S CA 1.313 59.557 58.200 0.073 0.000 0.973 839 S CB -0.792 62.435 63.200 0.045 0.000 0.849 839 S HN 0.101 nan 8.310 nan 0.000 0.465 840 S N 1.112 116.869 115.700 0.095 0.000 2.374 840 S HA -0.112 4.397 4.470 0.065 0.000 0.227 840 S C 1.899 176.623 174.600 0.206 0.000 1.037 840 S CA 1.383 59.658 58.200 0.126 0.000 1.024 840 S CB -0.543 62.734 63.200 0.129 0.000 0.861 840 S HN 0.361 nan 8.310 nan 0.000 0.456 841 V N 1.680 121.688 119.914 0.158 0.000 2.295 841 V HA -0.204 3.956 4.120 0.065 0.000 0.246 841 V C 2.506 178.701 176.094 0.169 0.000 1.049 841 V CA 2.061 64.454 62.300 0.155 0.000 1.024 841 V CB -0.611 31.285 31.823 0.123 0.000 0.648 841 V HN 0.553 nan 8.190 nan 0.000 0.447 842 E N -0.601 119.686 120.200 0.144 0.000 2.160 842 E HA -0.270 4.119 4.350 0.065 0.000 0.195 842 E C 2.028 178.737 176.600 0.182 0.000 0.991 842 E CA 1.468 57.942 56.400 0.124 0.000 0.810 842 E CB -0.180 29.561 29.700 0.069 0.000 0.742 842 E HN 0.578 nan 8.360 nan 0.000 0.466 843 F N 0.919 120.897 119.950 0.047 0.000 2.031 843 F HA -0.245 4.322 4.527 0.067 0.000 0.295 843 F C 2.308 178.124 175.800 0.026 0.000 1.133 843 F CA 1.734 59.748 58.000 0.024 0.000 1.188 843 F CB -0.807 38.184 39.000 -0.014 0.000 0.974 843 F HN 0.127 nan 8.300 nan 0.000 0.473 844 C N 0.099 119.443 119.300 0.073 0.000 2.403 844 C HA -0.256 4.243 4.460 0.065 0.000 0.277 844 C C 2.695 177.638 174.990 -0.079 0.000 1.248 844 C CA 1.710 60.690 59.018 -0.062 0.000 1.762 844 C CB -2.068 25.715 27.740 0.072 0.000 2.014 844 C HN 0.738 nan 8.230 nan 0.000 0.486 845 H N 1.208 120.241 119.070 -0.063 0.000 2.321 845 H HA -0.137 4.458 4.556 0.065 0.000 0.300 845 H C 2.120 177.387 175.328 -0.101 0.000 1.087 845 H CA 1.970 57.988 56.048 -0.049 0.000 1.319 845 H CB -0.020 29.741 29.762 -0.002 0.000 1.379 845 H HN 0.405 nan 8.280 nan 0.000 0.501 846 K N -0.408 120.022 120.400 0.049 0.000 2.155 846 K HA -0.025 4.334 4.320 0.065 0.000 0.203 846 K C 2.199 178.670 176.600 -0.215 0.000 1.052 846 K CA 0.914 57.180 56.287 -0.035 0.000 0.948 846 K CB 0.047 32.533 32.500 -0.022 0.000 0.728 846 K HN 0.120 nan 8.250 nan 0.000 0.448 847 V N 0.091 119.766 119.914 -0.398 0.000 2.626 847 V HA -0.070 4.089 4.120 0.065 0.000 0.252 847 V C 1.324 177.264 176.094 -0.257 0.000 1.067 847 V CA 1.932 63.961 62.300 -0.452 0.000 1.081 847 V CB 0.012 31.360 31.823 -0.792 0.000 0.686 847 V HN 0.699 nan 8.190 nan 0.000 0.468 848 G N -1.381 107.286 108.800 -0.221 0.000 2.175 848 G HA2 -0.154 3.845 3.960 0.065 0.000 0.182 848 G HA3 -0.154 3.845 3.960 0.065 0.000 0.182 848 G C 0.142 174.982 174.900 -0.099 0.000 1.003 848 G CA 0.006 45.013 45.100 -0.155 0.000 0.666 848 G HN 0.333 nan 8.290 nan 0.000 0.506 849 L N 0.198 121.366 121.223 -0.092 0.000 2.472 849 L HA 0.134 4.513 4.340 0.065 0.000 0.273 849 L C 1.413 178.258 176.870 -0.043 0.000 1.254 849 L CA 0.553 55.374 54.840 -0.032 0.000 0.823 849 L CB 0.025 42.068 42.059 -0.026 0.000 1.096 849 L HN 0.189 nan 8.230 nan 0.000 0.521 850 N N -0.291 118.390 118.700 -0.031 0.000 2.463 850 N HA 0.054 4.834 4.740 0.065 0.000 0.183 850 N C -0.563 175.045 175.510 0.164 0.000 1.064 850 N CA 0.487 53.570 53.050 0.055 0.000 0.879 850 N CB 1.028 39.594 38.487 0.132 0.000 1.148 850 N HN 0.617 nan 8.380 nan 0.000 0.451 851 Y N -1.058 119.284 120.300 0.070 0.000 2.713 851 Y HA 0.576 5.165 4.550 0.065 0.000 0.335 851 Y C -0.893 175.068 175.900 0.103 0.000 1.222 851 Y CA -1.619 56.524 58.100 0.071 0.000 1.061 851 Y CB 0.632 39.121 38.460 0.048 0.000 1.314 851 Y HN -0.207 nan 8.280 nan 0.000 0.453 852 V N -1.119 118.998 119.914 0.339 0.000 3.164 852 V HA 0.967 5.126 4.120 0.065 0.000 0.313 852 V C -0.831 175.458 176.094 0.324 0.000 1.188 852 V CA -0.413 62.026 62.300 0.232 0.000 1.058 852 V CB 1.505 33.428 31.823 0.168 0.000 1.110 852 V HN 1.276 nan 8.190 nan 0.000 0.453 853 S N -0.134 115.707 115.700 0.235 0.000 2.584 853 S HA 0.747 5.256 4.470 0.065 0.000 0.280 853 S C -0.838 173.852 174.600 0.151 0.000 1.162 853 S CA 0.055 58.386 58.200 0.218 0.000 0.951 853 S CB 0.449 63.829 63.200 0.301 0.000 1.108 853 S HN 2.281 nan 8.310 nan 0.000 0.464 854 C N 1.846 121.212 119.300 0.111 0.000 3.336 854 C HA 0.881 5.380 4.460 0.065 0.000 0.339 854 C C 0.422 175.439 174.990 0.046 0.000 1.468 854 C CA -0.844 58.221 59.018 0.079 0.000 1.287 854 C CB 0.672 28.461 27.740 0.081 0.000 1.682 854 C HN 0.788 nan 8.230 nan 0.000 0.451 855 S N 1.834 117.548 115.700 0.024 0.000 2.572 855 S HA 0.232 4.741 4.470 0.065 0.000 0.267 855 S C -1.682 172.884 174.600 -0.058 0.000 1.361 855 S CA -0.113 58.071 58.200 -0.025 0.000 1.009 855 S CB -0.054 63.128 63.200 -0.029 0.000 0.888 855 S HN 0.776 nan 8.310 nan 0.000 0.553 856 P HA -0.123 nan 4.420 nan 0.000 0.215 856 P C 1.044 178.222 177.300 -0.204 0.000 1.157 856 P CA 1.389 64.322 63.100 -0.278 0.000 0.874 856 P CB -0.095 31.297 31.700 -0.513 0.000 0.790 857 F N -0.601 119.355 119.950 0.011 0.000 2.293 857 F HA -0.043 4.523 4.527 0.065 0.000 0.300 857 F C 2.260 178.071 175.800 0.019 0.000 1.086 857 F CA 0.878 58.882 58.000 0.007 0.000 1.375 857 F CB -1.223 37.772 39.000 -0.009 0.000 1.045 857 F HN -0.147 nan 8.300 nan 0.000 0.516 858 R N -0.213 120.382 120.500 0.159 0.000 2.307 858 R HA 0.003 4.383 4.340 0.065 0.000 0.199 858 R C 2.113 178.480 176.300 0.111 0.000 1.000 858 R CA 0.222 56.394 56.100 0.120 0.000 1.023 858 R CB -0.408 29.943 30.300 0.084 0.000 0.908 858 R HN 0.169 nan 8.270 nan 0.000 0.473 859 V N 2.130 122.113 119.914 0.115 0.000 2.231 859 V HA -0.238 3.922 4.120 0.065 0.000 0.250 859 V C -0.859 175.301 176.094 0.111 0.000 1.058 859 V CA 2.164 64.526 62.300 0.104 0.000 1.022 859 V CB -1.035 30.843 31.823 0.092 0.000 0.640 859 V HN 0.255 nan 8.190 nan 0.000 0.445 860 P HA -0.128 nan 4.420 nan 0.000 0.218 860 P C 1.791 179.134 177.300 0.072 0.000 1.148 860 P CA 1.546 64.727 63.100 0.135 0.000 0.822 860 P CB -0.084 31.803 31.700 0.312 0.000 0.784 861 I N -0.036 120.588 120.570 0.090 0.000 2.076 861 I HA -0.292 3.917 4.170 0.065 0.000 0.237 861 I C 2.404 178.555 176.117 0.056 0.000 1.059 861 I CA 1.897 63.233 61.300 0.061 0.000 1.317 861 I CB -1.193 36.844 38.000 0.061 0.000 1.037 861 I HN -0.064 nan 8.210 nan 0.000 0.398 862 A N 0.852 123.715 122.820 0.072 0.000 1.948 862 A HA -0.235 4.124 4.320 0.065 0.000 0.220 862 A C 2.373 180.001 177.584 0.073 0.000 1.177 862 A CA 1.695 53.780 52.037 0.080 0.000 0.636 862 A CB -0.670 18.387 19.000 0.094 0.000 0.815 862 A HN 0.382 nan 8.150 nan 0.000 0.449 863 R N -0.864 119.672 120.500 0.060 0.000 2.081 863 R HA -0.036 4.344 4.340 0.065 0.000 0.235 863 R C 2.196 178.519 176.300 0.039 0.000 1.131 863 R CA 1.355 57.483 56.100 0.047 0.000 0.960 863 R CB -0.511 29.802 30.300 0.021 0.000 0.856 863 R HN 0.517 nan 8.270 nan 0.000 0.436 864 L N 0.496 121.729 121.223 0.015 0.000 2.027 864 L HA -0.130 4.249 4.340 0.065 0.000 0.206 864 L C 2.395 179.288 176.870 0.038 0.000 1.074 864 L CA 1.640 56.486 54.840 0.011 0.000 0.745 864 L CB -0.671 41.375 42.059 -0.021 0.000 0.898 864 L HN 0.239 nan 8.230 nan 0.000 0.433 865 A N -0.083 122.761 122.820 0.040 0.000 1.917 865 A HA -0.240 4.119 4.320 0.065 0.000 0.219 865 A C 2.410 180.022 177.584 0.046 0.000 1.182 865 A CA 2.011 54.074 52.037 0.044 0.000 0.633 865 A CB -0.801 18.232 19.000 0.055 0.000 0.819 865 A HN 0.570 nan 8.150 nan 0.000 0.448 866 A N -0.429 122.433 122.820 0.070 0.000 1.930 866 A HA 0.226 4.586 4.320 0.065 0.000 0.217 866 A C 2.481 180.108 177.584 0.071 0.000 1.175 866 A CA 1.875 53.966 52.037 0.091 0.000 0.627 866 A CB -0.934 18.144 19.000 0.129 0.000 0.815 866 A HN 1.075 nan 8.150 nan 0.000 0.443 867 A N -0.525 122.351 122.820 0.093 0.000 1.902 867 A HA -0.231 4.128 4.320 0.065 0.000 0.217 867 A C 2.134 179.747 177.584 0.048 0.000 1.181 867 A CA 1.730 53.849 52.037 0.137 0.000 0.623 867 A CB -0.544 18.566 19.000 0.184 0.000 0.818 867 A HN 0.659 nan 8.150 nan 0.000 0.443 868 Q N -0.766 119.041 119.800 0.011 0.000 2.046 868 Q HA -0.061 4.318 4.340 0.065 0.000 0.200 868 Q C 2.491 178.424 176.000 -0.111 0.000 0.975 868 Q CA 1.200 56.980 55.803 -0.038 0.000 0.836 868 Q CB -0.440 28.290 28.738 -0.012 0.000 0.896 868 Q HN 0.664 nan 8.270 nan 0.000 0.428 869 A N 1.383 124.119 122.820 -0.141 0.000 1.915 869 A HA -0.298 4.061 4.320 0.065 0.000 0.220 869 A C 2.274 179.460 177.584 -0.663 0.000 1.198 869 A CA 2.156 54.004 52.037 -0.316 0.000 0.647 869 A CB -0.936 17.919 19.000 -0.242 0.000 0.825 869 A HN 0.446 nan 8.150 nan 0.000 0.456 870 A N -0.989 121.491 122.820 -0.567 0.000 1.898 870 A HA 0.149 4.509 4.320 0.065 0.000 0.214 870 A C 2.167 179.663 177.584 -0.147 0.000 1.183 870 A CA 1.264 53.089 52.037 -0.353 0.000 0.622 870 A CB -0.492 18.529 19.000 0.034 0.000 0.824 870 A HN 0.454 nan 8.150 nan 0.000 0.444 871 L N -0.081 121.063 121.223 -0.132 0.000 2.093 871 L HA -0.175 4.204 4.340 0.065 0.000 0.208 871 L C 2.287 179.083 176.870 -0.124 0.000 1.085 871 L CA 1.028 55.779 54.840 -0.149 0.000 0.755 871 L CB -0.502 41.426 42.059 -0.218 0.000 0.904 871 L HN 0.353 nan 8.230 nan 0.000 0.435 872 N N 0.040 118.665 118.700 -0.125 0.000 2.106 872 N HA -0.074 4.705 4.740 0.065 0.000 0.188 872 N C 0.361 175.828 175.510 -0.073 0.000 1.029 872 N CA 0.933 53.929 53.050 -0.090 0.000 0.848 872 N CB -0.214 38.231 38.487 -0.070 0.000 1.007 872 N HN 0.322 nan 8.380 nan 0.000 0.423 873 N N 1.454 120.094 118.700 -0.100 0.000 2.817 873 N HA 0.197 4.976 4.740 0.065 0.000 0.234 873 N C -0.465 175.057 175.510 0.021 0.000 1.066 873 N CA 0.075 53.104 53.050 -0.035 0.000 0.926 873 N CB 1.708 40.188 38.487 -0.012 0.000 1.176 873 N HN 0.160 nan 8.380 nan 0.000 0.506 874 K N 0.000 120.408 120.400 0.013 0.000 2.780 874 K HA 0.000 4.359 4.320 0.065 0.000 0.191 874 K CA 0.000 56.307 56.287 0.033 0.000 0.838 874 K CB 0.000 32.509 32.500 0.016 0.000 1.064 874 K HN 0.000 nan 8.250 nan 0.000 0.543