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 2r82_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKWVYKFEEG NASMRNLLGG KGCNLAEMTI LGMPIPQGFT VTTEACTEYY DATA SEQUENCE NSGKQITQEI QDQIFEAITW LEELNGKKFG DTEDPLLVSV RSGARASMPG DATA SEQUENCE MMDTILNLGL NDVAVEGFAK KTGNPRFAYD SYRRFIQMYS DVVMEVPKSH DATA SEQUENCE FEKIIDAMKE EKGVHFDTDL TADDLKELAE KFKAVYKEAM NGEEFPQEPK DATA SEQUENCE DQLMGAVKAV FRSWDNPEAI VYRRMNDIPG DWGTAVNVQT MVFGNKGETS DATA SEQUENCE GTGVAFTRNP DTGEKGIYGR YLINAQGEDV VAGVRTPQPI TQLENDMPDC DATA SEQUENCE YKQFMDLAMK LEKHFRDMQD MEFTIEEGKL YFLQTRNGKR TAPAALQIAC DATA SEQUENCE DLVDEGMITE EEAVVRIEAK SLDQLLHPTF NPAALKAGEV IGSALPASPG DATA SEQUENCE AAAGKVYFTA DEAKAAHEKG ERVILVRLET SPEDIEGMHA AEGILTVRGG DATA SEQUENCE MTSHAAVVAR GMGTCCVSGC GEIKINEEAK TFELGGHTFA EGDYISLDGS DATA SEQUENCE TGKIYKGDIE 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 NN 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 0.000 177.308 177.584 -0.461 0.000 1.274 2 A CA 0.000 51.813 52.037 -0.373 0.000 0.836 2 A CB 0.000 18.591 19.000 -0.682 0.000 0.831 3 K N 0.159 120.177 120.400 -0.635 0.000 2.507 3 K HA 0.465 4.783 4.320 -0.003 0.000 0.253 3 K C -1.275 175.100 176.600 -0.375 0.000 0.969 3 K CA -0.359 55.677 56.287 -0.418 0.000 0.908 3 K CB 0.629 32.918 32.500 -0.351 0.000 1.127 3 K HN 0.623 nan 8.250 nan 0.000 0.437 4 W N 2.978 124.309 121.300 0.052 0.000 3.127 4 W HA 0.238 4.896 4.660 -0.003 0.000 0.344 4 W C -0.286 176.343 176.519 0.184 0.000 1.151 4 W CA -0.377 57.045 57.345 0.127 0.000 1.765 4 W CB 0.936 30.438 29.460 0.069 0.000 1.085 4 W HN 0.043 nan 8.180 nan 0.000 0.596 5 V N 1.027 121.100 119.914 0.266 0.000 2.525 5 V HA 0.341 4.459 4.120 -0.003 0.000 0.299 5 V C -1.344 174.787 176.094 0.062 0.000 1.034 5 V CA -1.105 61.334 62.300 0.232 0.000 0.863 5 V CB 1.106 32.971 31.823 0.069 0.000 0.999 5 V HN -0.183 nan 8.190 nan 0.000 0.423 6 Y N 2.845 123.183 120.300 0.064 0.000 2.393 6 Y HA 0.558 5.106 4.550 -0.003 0.000 0.341 6 Y C 0.523 176.418 175.900 -0.008 0.000 0.988 6 Y CA -1.139 56.958 58.100 -0.006 0.000 1.078 6 Y CB 1.834 40.302 38.460 0.012 0.000 1.203 6 Y HN 0.498 nan 8.280 nan 0.000 0.453 7 K N 2.065 122.456 120.400 -0.015 0.000 2.126 7 K HA 0.191 4.509 4.320 -0.003 0.000 0.257 7 K C 0.174 176.840 176.600 0.109 0.000 1.007 7 K CA -0.450 55.798 56.287 -0.065 0.000 0.928 7 K CB 0.596 32.784 32.500 -0.520 0.000 1.013 7 K HN 0.492 nan 8.250 nan 0.000 0.473 8 F N 1.592 121.701 119.950 0.265 0.000 2.216 8 F HA -0.158 4.367 4.527 -0.004 0.000 0.300 8 F C 2.079 177.963 175.800 0.140 0.000 1.085 8 F CA 1.373 59.486 58.000 0.188 0.000 1.326 8 F CB -0.584 38.526 39.000 0.183 0.000 1.027 8 F HN 0.681 nan 8.300 nan 0.000 0.497 9 E N 0.170 120.564 120.200 0.323 0.000 2.338 9 E HA -0.169 4.179 4.350 -0.003 0.000 0.197 9 E C 0.960 177.632 176.600 0.121 0.000 1.007 9 E CA 1.235 57.753 56.400 0.196 0.000 0.849 9 E CB -0.562 29.248 29.700 0.184 0.000 0.774 9 E HN 0.502 nan 8.360 nan 0.000 0.506 10 E N 1.060 121.330 120.200 0.117 0.000 2.444 10 E HA 0.188 4.537 4.350 -0.003 0.000 0.191 10 E C 0.377 177.079 176.600 0.171 0.000 1.041 10 E CA -0.089 56.374 56.400 0.106 0.000 0.883 10 E CB 1.015 30.747 29.700 0.055 0.000 1.024 10 E HN 0.308 nan 8.360 nan 0.000 0.470 11 G N 1.130 110.022 108.800 0.153 0.000 3.140 11 G HA2 0.529 4.487 3.960 -0.003 0.000 0.271 11 G HA3 0.529 4.487 3.960 -0.003 0.000 0.271 11 G C -0.749 174.191 174.900 0.065 0.000 1.370 11 G CA -0.610 44.552 45.100 0.103 0.000 1.014 11 G HN 0.249 nan 8.290 nan 0.000 0.541 12 N N -3.870 114.850 118.700 0.033 0.000 3.261 12 N HA 0.458 5.196 4.740 -0.003 0.000 0.248 12 N C 0.762 176.278 175.510 0.010 0.000 1.498 12 N CA 0.050 53.113 53.050 0.021 0.000 0.884 12 N CB 0.828 39.323 38.487 0.013 0.000 1.428 12 N HN 0.731 nan 8.380 nan 0.000 0.517 13 A N -0.049 122.780 122.820 0.014 0.000 2.024 13 A HA -0.127 4.191 4.320 -0.003 0.000 0.220 13 A C 1.972 179.554 177.584 -0.002 0.000 1.164 13 A CA 2.282 54.328 52.037 0.015 0.000 0.643 13 A CB -1.366 17.654 19.000 0.033 0.000 0.806 13 A HN 0.896 nan 8.150 nan 0.000 0.451 14 S N -0.851 114.844 115.700 -0.008 0.000 2.481 14 S HA 0.036 4.504 4.470 -0.003 0.000 0.231 14 S C 1.286 175.861 174.600 -0.041 0.000 0.996 14 S CA 0.963 59.151 58.200 -0.020 0.000 0.942 14 S CB -0.468 62.723 63.200 -0.015 0.000 0.768 14 S HN 0.504 nan 8.310 nan 0.000 0.520 15 M N 1.357 120.926 119.600 -0.052 0.000 2.853 15 M HA 0.326 4.804 4.480 -0.003 0.000 0.274 15 M C 1.708 177.951 176.300 -0.096 0.000 1.289 15 M CA -0.253 54.991 55.300 -0.092 0.000 1.031 15 M CB 0.051 32.575 32.600 -0.128 0.000 1.352 15 M HN 0.313 nan 8.290 nan 0.000 0.485 16 R N 1.132 121.587 120.500 -0.075 0.000 2.091 16 R HA -0.157 4.181 4.340 -0.003 0.000 0.238 16 R C 1.514 177.740 176.300 -0.122 0.000 1.136 16 R CA 1.923 57.977 56.100 -0.077 0.000 0.959 16 R CB 0.086 30.349 30.300 -0.062 0.000 0.856 16 R HN 0.439 nan 8.270 nan 0.000 0.437 17 N N 0.802 119.416 118.700 -0.143 0.000 2.104 17 N HA -0.208 4.530 4.740 -0.003 0.000 0.190 17 N C 1.602 177.002 175.510 -0.183 0.000 1.024 17 N CA 1.166 54.100 53.050 -0.193 0.000 0.853 17 N CB -0.334 38.056 38.487 -0.161 0.000 1.008 17 N HN 0.228 nan 8.380 nan 0.000 0.424 18 L N 0.105 121.232 121.223 -0.161 0.000 2.168 18 L HA 0.224 4.562 4.340 -0.003 0.000 0.203 18 L C 1.670 178.457 176.870 -0.139 0.000 1.078 18 L CA 1.057 55.798 54.840 -0.165 0.000 0.780 18 L CB -0.191 41.724 42.059 -0.240 0.000 0.939 18 L HN 0.031 nan 8.230 nan 0.000 0.451 19 L N -0.305 120.839 121.223 -0.132 0.000 2.567 19 L HA 0.382 4.720 4.340 -0.003 0.000 0.225 19 L C 0.999 177.856 176.870 -0.022 0.000 1.119 19 L CA 0.199 55.001 54.840 -0.065 0.000 0.871 19 L CB -0.876 41.156 42.059 -0.044 0.000 1.036 19 L HN 0.433 nan 8.230 nan 0.000 0.459 20 G N -0.270 108.497 108.800 -0.055 0.000 2.829 20 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.628 20 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.628 20 G C 0.669 175.558 174.900 -0.017 0.000 1.412 20 G CA -0.415 44.661 45.100 -0.039 0.000 0.864 20 G HN 0.235 nan 8.290 nan 0.000 0.544 21 G N -0.393 108.406 108.800 -0.002 0.000 2.408 21 G HA2 -0.056 3.902 3.960 -0.003 0.000 0.217 21 G HA3 -0.056 3.902 3.960 -0.003 0.000 0.217 21 G C 1.618 176.531 174.900 0.023 0.000 1.150 21 G CA 1.705 46.813 45.100 0.012 0.000 0.776 21 G HN 0.824 nan 8.290 nan 0.000 0.542 22 K N 0.172 120.590 120.400 0.030 0.000 2.001 22 K HA 0.007 4.325 4.320 -0.003 0.000 0.208 22 K C 2.800 179.421 176.600 0.035 0.000 1.048 22 K CA 0.901 57.205 56.287 0.027 0.000 0.932 22 K CB -0.560 31.961 32.500 0.035 0.000 0.715 22 K HN 0.224 nan 8.250 nan 0.000 0.437 23 G N 1.815 110.659 108.800 0.074 0.000 2.476 23 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.218 23 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.218 23 G C 1.968 176.938 174.900 0.117 0.000 1.164 23 G CA 1.418 46.609 45.100 0.151 0.000 0.768 23 G HN 0.564 nan 8.290 nan 0.000 0.560 24 C N 0.209 119.541 119.300 0.053 0.000 2.446 24 C HA 0.052 4.510 4.460 -0.003 0.000 0.277 24 C C 2.473 177.475 174.990 0.021 0.000 1.275 24 C CA 1.013 60.052 59.018 0.034 0.000 1.727 24 C CB -1.166 26.578 27.740 0.006 0.000 2.010 24 C HN 0.337 nan 8.230 nan 0.000 0.486 25 N N 1.446 120.152 118.700 0.011 0.000 2.244 25 N HA 0.005 4.743 4.740 -0.003 0.000 0.183 25 N C 1.766 177.243 175.510 -0.056 0.000 1.016 25 N CA 1.371 54.426 53.050 0.007 0.000 0.866 25 N CB -0.409 38.089 38.487 0.018 0.000 0.980 25 N HN 0.641 nan 8.380 nan 0.000 0.430 26 L N 0.538 121.671 121.223 -0.149 0.000 2.044 26 L HA -0.050 4.288 4.340 -0.003 0.000 0.205 26 L C 2.515 179.166 176.870 -0.365 0.000 1.075 26 L CA 0.949 55.538 54.840 -0.419 0.000 0.747 26 L CB -0.545 40.995 42.059 -0.866 0.000 0.903 26 L HN 0.059 nan 8.230 nan 0.000 0.435 27 A N 0.415 123.165 122.820 -0.117 0.000 1.851 27 A HA -0.302 4.016 4.320 -0.003 0.000 0.216 27 A C 2.146 179.728 177.584 -0.004 0.000 1.195 27 A CA 2.078 54.149 52.037 0.056 0.000 0.622 27 A CB -0.706 18.383 19.000 0.148 0.000 0.831 27 A HN 0.431 nan 8.150 nan 0.000 0.444 28 E N -0.216 119.976 120.200 -0.015 0.000 2.095 28 E HA -0.294 4.054 4.350 -0.003 0.000 0.212 28 E C 1.978 178.512 176.600 -0.110 0.000 1.044 28 E CA 2.332 58.707 56.400 -0.041 0.000 0.857 28 E CB -0.438 29.267 29.700 0.009 0.000 0.764 28 E HN 0.559 nan 8.360 nan 0.000 0.462 29 M N -0.402 119.145 119.600 -0.087 0.000 2.374 29 M HA -0.124 4.354 4.480 -0.003 0.000 0.264 29 M C 1.459 177.692 176.300 -0.111 0.000 1.067 29 M CA 1.741 56.979 55.300 -0.103 0.000 1.103 29 M CB -0.052 32.540 32.600 -0.013 0.000 1.402 29 M HN 0.189 nan 8.290 nan 0.000 0.444 30 T N 0.567 115.074 114.554 -0.078 0.000 2.857 30 T HA -0.053 4.295 4.350 -0.003 0.000 0.266 30 T C 1.502 176.190 174.700 -0.019 0.000 1.048 30 T CA 0.928 63.020 62.100 -0.013 0.000 1.139 30 T CB -0.127 68.787 68.868 0.078 0.000 0.874 30 T HN 0.240 nan 8.240 nan 0.000 0.455 31 I N 1.399 121.941 120.570 -0.046 0.000 2.361 31 I HA -0.016 4.152 4.170 -0.003 0.000 0.251 31 I C 1.813 177.853 176.117 -0.130 0.000 1.133 31 I CA 0.897 62.158 61.300 -0.064 0.000 1.413 31 I CB -0.642 37.320 38.000 -0.063 0.000 1.073 31 I HN 0.219 nan 8.210 nan 0.000 0.424 32 L N 0.386 121.479 121.223 -0.217 0.000 2.700 32 L HA 0.054 4.392 4.340 -0.003 0.000 0.240 32 L C 1.606 178.353 176.870 -0.206 0.000 1.162 32 L CA 0.634 55.295 54.840 -0.299 0.000 0.874 32 L CB -1.233 40.545 42.059 -0.468 0.000 1.001 32 L HN 0.520 nan 8.230 nan 0.000 0.447 33 G N -0.655 108.068 108.800 -0.130 0.000 2.148 33 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.254 33 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.254 33 G C 0.245 175.082 174.900 -0.104 0.000 0.981 33 G CA -0.124 44.920 45.100 -0.093 0.000 0.670 33 G HN 0.162 nan 8.290 nan 0.000 0.528 34 M N 1.185 120.711 119.600 -0.123 0.000 2.146 34 M HA 0.291 4.769 4.480 -0.003 0.000 0.352 34 M C -1.970 174.340 176.300 0.016 0.000 1.343 34 M CA -3.192 52.025 55.300 -0.138 0.000 1.115 34 M CB 0.448 32.945 32.600 -0.172 0.000 1.657 34 M HN 0.006 nan 8.290 nan 0.000 0.471 35 P HA 0.215 nan 4.420 nan 0.000 0.241 35 P C -0.288 177.209 177.300 0.329 0.000 1.760 35 P CA 0.113 63.353 63.100 0.234 0.000 1.081 35 P CB -0.543 31.313 31.700 0.260 0.000 1.975 36 I N 3.176 123.870 120.570 0.207 0.000 2.720 36 I HA 0.143 4.311 4.170 -0.003 0.000 0.287 36 I C -1.723 174.468 176.117 0.124 0.000 1.090 36 I CA -2.651 58.742 61.300 0.156 0.000 1.384 36 I CB -0.139 37.877 38.000 0.025 0.000 1.420 36 I HN -0.024 nan 8.210 nan 0.000 0.575 37 P HA -0.021 nan 4.420 nan 0.000 0.258 37 P C -1.045 176.284 177.300 0.048 0.000 1.187 37 P CA 0.119 63.134 63.100 -0.142 0.000 0.767 37 P CB 0.131 31.709 31.700 -0.204 0.000 0.770 38 Q N 1.730 121.558 119.800 0.047 0.000 2.386 38 Q HA 0.442 4.780 4.340 -0.003 0.000 0.282 38 Q C 0.955 177.062 176.000 0.179 0.000 1.050 38 Q CA 0.496 56.395 55.803 0.159 0.000 0.918 38 Q CB 0.382 29.096 28.738 -0.039 0.000 1.266 38 Q HN 0.627 nan 8.270 nan 0.000 0.423 39 G N 0.647 109.595 108.800 0.246 0.000 2.490 39 G HA2 0.562 4.520 3.960 -0.003 0.000 0.308 39 G HA3 0.562 4.520 3.960 -0.003 0.000 0.308 39 G C -1.822 172.787 174.900 -0.486 0.000 1.286 39 G CA -0.734 44.319 45.100 -0.079 0.000 0.825 39 G HN 0.555 nan 8.290 nan 0.000 0.479 40 F N -2.071 117.474 119.950 -0.676 0.000 2.726 40 F HA 0.915 5.440 4.527 -0.003 0.000 0.324 40 F C -0.628 174.952 175.800 -0.366 0.000 1.140 40 F CA -1.320 56.372 58.000 -0.513 0.000 0.964 40 F CB 1.576 40.523 39.000 -0.088 0.000 1.399 40 F HN 0.518 nan 8.300 nan 0.000 0.491 41 T N 1.421 115.984 114.554 0.015 0.000 2.921 41 T HA 0.554 4.902 4.350 -0.003 0.000 0.297 41 T C -1.176 173.667 174.700 0.238 0.000 1.013 41 T CA -0.643 61.481 62.100 0.040 0.000 0.990 41 T CB 1.696 70.632 68.868 0.114 0.000 1.023 41 T HN 0.618 nan 8.240 nan 0.000 0.447 42 V N 3.999 124.022 119.914 0.180 0.000 2.488 42 V HA 0.348 4.466 4.120 -0.003 0.000 0.277 42 V C 1.269 177.505 176.094 0.237 0.000 1.046 42 V CA -0.788 61.674 62.300 0.269 0.000 0.986 42 V CB 0.576 32.539 31.823 0.234 0.000 0.989 42 V HN 1.099 nan 8.190 nan 0.000 0.475 43 T N 0.926 115.649 114.554 0.282 0.000 2.813 43 T HA 0.086 4.434 4.350 -0.003 0.000 0.297 43 T C 1.433 176.236 174.700 0.172 0.000 1.036 43 T CA 0.216 62.426 62.100 0.183 0.000 1.044 43 T CB 0.878 69.855 68.868 0.181 0.000 0.993 43 T HN 0.906 nan 8.240 nan 0.000 0.535 44 T N -1.802 112.790 114.554 0.063 0.000 3.035 44 T HA -0.023 4.325 4.350 -0.003 0.000 0.268 44 T C 1.423 176.133 174.700 0.018 0.000 1.109 44 T CA 0.799 62.902 62.100 0.006 0.000 1.119 44 T CB -0.471 68.338 68.868 -0.099 0.000 0.900 44 T HN 0.756 nan 8.240 nan 0.000 0.503 45 E N 1.349 121.609 120.200 0.099 0.000 2.152 45 E HA 0.120 4.468 4.350 -0.003 0.000 0.192 45 E C 2.521 179.313 176.600 0.321 0.000 0.983 45 E CA 0.772 57.292 56.400 0.202 0.000 0.818 45 E CB -0.258 29.563 29.700 0.202 0.000 0.758 45 E HN 0.696 nan 8.360 nan 0.000 0.467 46 A N 0.743 123.755 122.820 0.319 0.000 2.015 46 A HA -0.173 4.145 4.320 -0.003 0.000 0.219 46 A C 2.295 179.554 177.584 -0.541 0.000 1.163 46 A CA 0.962 52.983 52.037 -0.026 0.000 0.646 46 A CB -0.823 18.276 19.000 0.165 0.000 0.806 46 A HN 0.453 nan 8.150 nan 0.000 0.448 47 C N -1.144 117.885 119.300 -0.452 0.000 2.450 47 C HA -0.032 4.426 4.460 -0.003 0.000 0.279 47 C C 2.885 177.688 174.990 -0.313 0.000 1.335 47 C CA 1.842 60.423 59.018 -0.728 0.000 1.749 47 C CB -1.379 26.256 27.740 -0.175 0.000 1.963 47 C HN 0.589 nan 8.230 nan 0.000 0.501 48 T N 0.221 114.707 114.554 -0.113 0.000 2.777 48 T HA -0.142 4.206 4.350 -0.003 0.000 0.266 48 T C 1.673 176.369 174.700 -0.006 0.000 1.040 48 T CA 1.889 64.006 62.100 0.027 0.000 1.141 48 T CB -0.353 68.553 68.868 0.063 0.000 0.868 48 T HN 0.627 nan 8.240 nan 0.000 0.444 49 E N 0.526 120.657 120.200 -0.115 0.000 2.110 49 E HA -0.143 4.205 4.350 -0.003 0.000 0.193 49 E C 1.777 178.222 176.600 -0.258 0.000 0.988 49 E CA 1.066 57.336 56.400 -0.216 0.000 0.804 49 E CB -0.462 28.902 29.700 -0.560 0.000 0.745 49 E HN 0.658 nan 8.360 nan 0.000 0.458 50 Y N -0.534 119.465 120.300 -0.503 0.000 2.181 50 Y HA -0.271 4.276 4.550 -0.004 0.000 0.288 50 Y C 1.572 177.252 175.900 -0.368 0.000 1.146 50 Y CA 1.952 59.740 58.100 -0.520 0.000 1.164 50 Y CB -0.451 37.508 38.460 -0.835 0.000 0.982 50 Y HN 0.107 nan 8.280 nan 0.000 0.515 51 Y N 0.265 120.563 120.300 -0.004 0.000 2.373 51 Y HA -0.110 4.438 4.550 -0.004 0.000 0.293 51 Y C 1.805 177.656 175.900 -0.082 0.000 1.129 51 Y CA 1.293 59.388 58.100 -0.009 0.000 1.226 51 Y CB -0.428 38.083 38.460 0.086 0.000 1.000 51 Y HN 0.213 nan 8.280 nan 0.000 0.549 52 N N -1.133 117.593 118.700 0.043 0.000 2.383 52 N HA 0.008 4.746 4.740 -0.003 0.000 0.192 52 N C 0.585 176.053 175.510 -0.070 0.000 1.141 52 N CA 0.442 53.492 53.050 -0.000 0.000 0.851 52 N CB 0.257 38.754 38.487 0.017 0.000 0.976 52 N HN 0.093 nan 8.380 nan 0.000 0.465 53 S N -0.888 114.717 115.700 -0.158 0.000 2.629 53 S HA 0.237 4.705 4.470 -0.003 0.000 0.236 53 S C 0.876 175.347 174.600 -0.215 0.000 1.010 53 S CA -0.146 57.941 58.200 -0.189 0.000 0.981 53 S CB 0.847 63.901 63.200 -0.243 0.000 0.919 53 S HN 0.418 nan 8.310 nan 0.000 0.514 54 G N 3.441 112.121 108.800 -0.201 0.000 2.351 54 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.297 54 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.297 54 G C 0.040 174.773 174.900 -0.277 0.000 1.054 54 G CA 0.227 45.224 45.100 -0.171 0.000 1.123 54 G HN 0.409 nan 8.290 nan 0.000 0.512 55 K N -1.451 118.616 120.400 -0.555 0.000 3.148 55 K HA -0.224 4.094 4.320 -0.003 0.000 0.267 55 K C 0.299 176.626 176.600 -0.455 0.000 0.996 55 K CA 1.585 57.442 56.287 -0.718 0.000 0.737 55 K CB -0.799 31.577 32.500 -0.207 0.000 1.308 55 K HN 0.789 nan 8.250 nan 0.000 0.470 56 Q N 0.675 120.178 119.800 -0.495 0.000 2.374 56 Q HA 0.301 4.639 4.340 -0.003 0.000 0.250 56 Q C -0.411 175.464 176.000 -0.209 0.000 0.918 56 Q CA -0.742 54.923 55.803 -0.229 0.000 0.778 56 Q CB 1.401 30.048 28.738 -0.152 0.000 1.328 56 Q HN 0.127 nan 8.270 nan 0.000 0.445 57 I N 2.801 123.330 120.570 -0.067 0.000 2.710 57 I HA -0.035 4.133 4.170 -0.003 0.000 0.286 57 I C 1.248 177.305 176.117 -0.099 0.000 1.181 57 I CA 0.782 62.060 61.300 -0.037 0.000 1.430 57 I CB 0.471 38.505 38.000 0.057 0.000 1.367 57 I HN 0.623 nan 8.210 nan 0.000 0.577 58 T N 3.198 117.648 114.554 -0.173 0.000 2.916 58 T HA 0.026 4.374 4.350 -0.003 0.000 0.303 58 T C 0.897 175.534 174.700 -0.106 0.000 1.025 58 T CA -0.468 61.537 62.100 -0.159 0.000 1.142 58 T CB 1.232 69.956 68.868 -0.240 0.000 0.947 58 T HN 0.581 nan 8.240 nan 0.000 0.544 59 Q N 1.763 121.536 119.800 -0.045 0.000 2.112 59 Q HA -0.205 4.133 4.340 -0.003 0.000 0.206 59 Q C 2.084 178.085 176.000 0.003 0.000 0.987 59 Q CA 2.439 58.244 55.803 0.004 0.000 0.858 59 Q CB -0.439 28.315 28.738 0.026 0.000 0.905 59 Q HN 0.965 nan 8.270 nan 0.000 0.420 60 E N -0.425 119.770 120.200 -0.008 0.000 2.035 60 E HA -0.252 4.096 4.350 -0.003 0.000 0.204 60 E C 1.905 178.506 176.600 0.001 0.000 1.025 60 E CA 1.933 58.354 56.400 0.035 0.000 0.835 60 E CB -0.345 29.410 29.700 0.092 0.000 0.764 60 E HN 0.520 nan 8.360 nan 0.000 0.457 61 I N 0.620 121.098 120.570 -0.154 0.000 2.069 61 I HA -0.372 3.796 4.170 -0.003 0.000 0.237 61 I C 2.778 178.811 176.117 -0.141 0.000 1.053 61 I CA 1.679 62.864 61.300 -0.191 0.000 1.311 61 I CB -0.486 37.289 38.000 -0.375 0.000 1.030 61 I HN 0.268 nan 8.210 nan 0.000 0.398 62 Q N 0.262 119.951 119.800 -0.184 0.000 2.118 62 Q HA -0.311 4.027 4.340 -0.003 0.000 0.211 62 Q C 2.012 177.719 176.000 -0.488 0.000 0.998 62 Q CA 2.190 57.759 55.803 -0.390 0.000 0.872 62 Q CB -0.342 28.293 28.738 -0.171 0.000 0.925 62 Q HN 0.521 nan 8.270 nan 0.000 0.414 63 D N 0.181 120.545 120.400 -0.060 0.000 2.104 63 D HA -0.165 4.473 4.640 -0.003 0.000 0.194 63 D C 1.894 178.215 176.300 0.036 0.000 0.994 63 D CA 1.153 55.234 54.000 0.135 0.000 0.830 63 D CB 0.046 40.925 40.800 0.132 0.000 0.959 63 D HN 0.336 nan 8.370 nan 0.000 0.452 64 Q N -0.217 119.576 119.800 -0.012 0.000 2.291 64 Q HA -0.098 4.240 4.340 -0.003 0.000 0.205 64 Q C 2.199 178.123 176.000 -0.127 0.000 0.970 64 Q CA 0.376 56.161 55.803 -0.030 0.000 0.876 64 Q CB 0.292 29.061 28.738 0.051 0.000 0.935 64 Q HN 0.358 nan 8.270 nan 0.000 0.455 65 I N -0.215 120.240 120.570 -0.192 0.000 2.193 65 I HA -0.208 3.960 4.170 -0.003 0.000 0.240 65 I C 1.898 177.877 176.117 -0.230 0.000 1.084 65 I CA 1.346 62.496 61.300 -0.249 0.000 1.365 65 I CB -1.104 36.740 38.000 -0.260 0.000 1.064 65 I HN 0.140 nan 8.210 nan 0.000 0.410 66 F N 1.626 121.555 119.950 -0.036 0.000 2.202 66 F HA -0.156 4.369 4.527 -0.004 0.000 0.301 66 F C 2.573 178.346 175.800 -0.045 0.000 1.082 66 F CA 0.917 58.898 58.000 -0.031 0.000 1.313 66 F CB -1.054 37.935 39.000 -0.019 0.000 1.024 66 F HN 0.221 nan 8.300 nan 0.000 0.495 67 E N 0.088 120.343 120.200 0.091 0.000 2.028 67 E HA -0.163 4.185 4.350 -0.003 0.000 0.191 67 E C 2.492 179.075 176.600 -0.029 0.000 0.988 67 E CA 1.046 57.462 56.400 0.025 0.000 0.799 67 E CB -0.378 29.311 29.700 -0.019 0.000 0.755 67 E HN 0.325 nan 8.360 nan 0.000 0.447 68 A N 1.507 124.202 122.820 -0.208 0.000 1.940 68 A HA -0.189 4.129 4.320 -0.003 0.000 0.219 68 A C 2.132 179.633 177.584 -0.139 0.000 1.176 68 A CA 1.045 52.885 52.037 -0.328 0.000 0.631 68 A CB -0.486 17.871 19.000 -1.072 0.000 0.814 68 A HN 0.136 nan 8.150 nan 0.000 0.446 69 I N 0.277 120.780 120.570 -0.112 0.000 2.163 69 I HA -0.211 3.957 4.170 -0.003 0.000 0.243 69 I C 2.532 178.753 176.117 0.173 0.000 1.085 69 I CA 2.177 63.572 61.300 0.157 0.000 1.347 69 I CB -1.944 36.225 38.000 0.281 0.000 1.044 69 I HN 0.273 nan 8.210 nan 0.000 0.408 70 T N -0.142 114.501 114.554 0.149 0.000 2.759 70 T HA -0.253 4.095 4.350 -0.003 0.000 0.269 70 T C 1.505 176.297 174.700 0.154 0.000 1.042 70 T CA 1.657 63.838 62.100 0.135 0.000 1.140 70 T CB -0.482 68.453 68.868 0.111 0.000 0.864 70 T HN 0.545 nan 8.240 nan 0.000 0.455 71 W N 1.879 123.172 121.300 -0.013 0.000 2.355 71 W HA -0.049 4.609 4.660 -0.004 0.000 0.309 71 W C 1.714 178.246 176.519 0.023 0.000 1.206 71 W CA 0.739 58.078 57.345 -0.010 0.000 1.284 71 W CB -0.775 28.656 29.460 -0.048 0.000 1.145 71 W HN 0.166 nan 8.180 nan 0.000 0.502 72 L N 0.561 121.672 121.223 -0.187 0.000 2.012 72 L HA -0.254 4.084 4.340 -0.003 0.000 0.210 72 L C 2.511 179.246 176.870 -0.224 0.000 1.073 72 L CA 2.100 56.721 54.840 -0.364 0.000 0.748 72 L CB -1.024 40.980 42.059 -0.091 0.000 0.891 72 L HN 0.064 nan 8.230 nan 0.000 0.431 73 E N -0.057 120.100 120.200 -0.071 0.000 2.097 73 E HA -0.262 4.086 4.350 -0.003 0.000 0.196 73 E C 2.091 178.661 176.600 -0.050 0.000 1.000 73 E CA 1.496 57.878 56.400 -0.031 0.000 0.804 73 E CB -0.093 29.634 29.700 0.044 0.000 0.740 73 E HN 0.544 nan 8.360 nan 0.000 0.454 74 E N 0.550 120.717 120.200 -0.055 0.000 2.072 74 E HA -0.165 4.183 4.350 -0.003 0.000 0.191 74 E C 2.262 178.816 176.600 -0.076 0.000 0.985 74 E CA 0.672 57.051 56.400 -0.035 0.000 0.801 74 E CB -0.072 29.638 29.700 0.017 0.000 0.750 74 E HN 0.226 nan 8.360 nan 0.000 0.452 75 L N 1.396 122.505 121.223 -0.190 0.000 1.994 75 L HA -0.208 4.130 4.340 -0.003 0.000 0.208 75 L C 2.017 178.831 176.870 -0.093 0.000 1.071 75 L CA 1.035 55.766 54.840 -0.181 0.000 0.745 75 L CB -0.410 41.429 42.059 -0.367 0.000 0.892 75 L HN 0.142 nan 8.230 nan 0.000 0.431 76 N N -0.102 118.536 118.700 -0.105 0.000 2.512 76 N HA -0.067 4.671 4.740 -0.003 0.000 0.183 76 N C 1.464 176.966 175.510 -0.013 0.000 1.073 76 N CA 1.124 54.148 53.050 -0.044 0.000 0.911 76 N CB 0.270 38.717 38.487 -0.066 0.000 0.964 76 N HN 0.520 nan 8.380 nan 0.000 0.447 77 G N 0.491 109.280 108.800 -0.019 0.000 2.184 77 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.264 77 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.264 77 G C 0.027 174.929 174.900 0.004 0.000 0.975 77 G CA 0.398 45.498 45.100 0.000 0.000 0.642 77 G HN 0.226 nan 8.290 nan 0.000 0.536 78 K N 0.052 120.450 120.400 -0.003 0.000 2.498 78 K HA 0.412 4.730 4.320 -0.003 0.000 0.254 78 K C 0.306 176.909 176.600 0.004 0.000 0.933 78 K CA -0.819 55.470 56.287 0.003 0.000 0.806 78 K CB 1.853 34.354 32.500 0.002 0.000 1.301 78 K HN 0.222 nan 8.250 nan 0.000 0.432 79 K N 0.446 120.862 120.400 0.026 0.000 2.188 79 K HA 0.132 4.450 4.320 -0.003 0.000 0.246 79 K C 0.026 176.677 176.600 0.085 0.000 1.026 79 K CA -0.179 56.148 56.287 0.066 0.000 0.871 79 K CB 0.208 32.751 32.500 0.072 0.000 1.042 79 K HN 0.315 nan 8.250 nan 0.000 0.509 80 F N 1.320 121.275 119.950 0.007 0.000 2.566 80 F HA 0.203 4.728 4.527 -0.004 0.000 0.349 80 F C 0.819 176.615 175.800 -0.007 0.000 1.245 80 F CA 0.214 58.219 58.000 0.008 0.000 1.169 80 F CB -0.609 38.410 39.000 0.031 0.000 1.470 80 F HN 0.747 nan 8.300 nan 0.000 0.634 81 G N 3.110 112.008 108.800 0.164 0.000 2.203 81 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.231 81 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.231 81 G C -0.041 174.895 174.900 0.060 0.000 1.058 81 G CA -0.112 45.056 45.100 0.113 0.000 0.781 81 G HN 0.597 nan 8.290 nan 0.000 0.496 82 D N -0.937 119.487 120.400 0.039 0.000 2.384 82 D HA 0.478 5.116 4.640 -0.003 0.000 0.244 82 D C 1.634 177.935 176.300 0.003 0.000 1.251 82 D CA 0.592 54.606 54.000 0.023 0.000 0.961 82 D CB 0.993 41.806 40.800 0.021 0.000 1.116 82 D HN 0.023 nan 8.370 nan 0.000 0.484 83 T N -0.514 114.040 114.554 -0.000 0.000 3.081 83 T HA 0.049 4.397 4.350 -0.003 0.000 0.255 83 T C 1.115 175.808 174.700 -0.011 0.000 1.113 83 T CA 0.933 63.027 62.100 -0.011 0.000 1.082 83 T CB 0.131 68.993 68.868 -0.009 0.000 0.939 83 T HN 0.325 nan 8.240 nan 0.000 0.506 84 E N 0.369 120.566 120.200 -0.005 0.000 2.075 84 E HA 0.118 4.466 4.350 -0.003 0.000 0.193 84 E C 0.184 176.783 176.600 -0.001 0.000 0.950 84 E CA 0.326 56.724 56.400 -0.004 0.000 0.859 84 E CB 0.264 29.964 29.700 -0.000 0.000 0.846 84 E HN 0.200 nan 8.360 nan 0.000 0.467 85 D N 1.175 121.578 120.400 0.004 0.000 2.502 85 D HA 0.200 4.838 4.640 -0.003 0.000 0.301 85 D C -2.728 173.578 176.300 0.009 0.000 1.202 85 D CA -2.288 51.720 54.000 0.013 0.000 0.878 85 D CB 0.712 41.523 40.800 0.018 0.000 1.062 85 D HN -0.176 nan 8.370 nan 0.000 0.499 86 P HA 0.055 nan 4.420 nan 0.000 0.265 86 P C -0.614 176.644 177.300 -0.070 0.000 1.193 86 P CA -0.526 62.551 63.100 -0.039 0.000 0.765 86 P CB 0.542 32.203 31.700 -0.066 0.000 0.823 87 L N 5.239 126.379 121.223 -0.138 0.000 2.290 87 L HA 0.357 4.695 4.340 -0.003 0.000 0.284 87 L C -0.984 175.637 176.870 -0.416 0.000 1.078 87 L CA 0.097 54.795 54.840 -0.236 0.000 0.815 87 L CB -0.304 41.588 42.059 -0.279 0.000 1.162 87 L HN 0.210 nan 8.230 nan 0.000 0.435 88 L N 6.062 127.101 121.223 -0.307 0.000 2.341 88 L HA 0.859 5.197 4.340 -0.003 0.000 0.267 88 L C -0.476 176.224 176.870 -0.283 0.000 1.009 88 L CA -1.109 53.528 54.840 -0.339 0.000 0.819 88 L CB 1.900 43.829 42.059 -0.216 0.000 1.323 88 L HN 0.531 nan 8.230 nan 0.000 0.425 89 V N -1.478 118.286 119.914 -0.249 0.000 3.141 89 V HA 0.862 4.980 4.120 -0.003 0.000 0.312 89 V C -0.321 175.725 176.094 -0.079 0.000 1.157 89 V CA -0.658 61.556 62.300 -0.142 0.000 1.041 89 V CB 1.948 33.723 31.823 -0.081 0.000 1.071 89 V HN 0.853 nan 8.190 nan 0.000 0.441 90 S N 0.751 116.417 115.700 -0.057 0.000 2.473 90 S HA 0.831 5.299 4.470 -0.003 0.000 0.307 90 S C -0.796 173.790 174.600 -0.024 0.000 1.094 90 S CA -0.641 57.541 58.200 -0.031 0.000 1.070 90 S CB 1.426 64.603 63.200 -0.039 0.000 1.019 90 S HN 1.217 nan 8.310 nan 0.000 0.480 91 V N 4.153 124.065 119.914 -0.004 0.000 2.384 91 V HA 0.588 4.706 4.120 -0.003 0.000 0.287 91 V C -0.014 176.063 176.094 -0.028 0.000 1.020 91 V CA -0.576 61.707 62.300 -0.029 0.000 0.850 91 V CB 1.037 32.852 31.823 -0.013 0.000 0.987 91 V HN 0.926 nan 8.190 nan 0.000 0.436 92 R N 2.660 123.136 120.500 -0.040 0.000 2.628 92 R HA 0.620 4.958 4.340 -0.003 0.000 0.288 92 R C -0.572 175.710 176.300 -0.029 0.000 0.980 92 R CA -0.489 55.599 56.100 -0.020 0.000 0.891 92 R CB 2.402 32.702 30.300 0.000 0.000 1.188 92 R HN 0.790 nan 8.270 nan 0.000 0.450 93 S N 0.346 116.037 115.700 -0.016 0.000 2.541 93 S HA 0.833 5.301 4.470 -0.003 0.000 0.283 93 S C 0.040 174.665 174.600 0.041 0.000 1.196 93 S CA -0.838 57.358 58.200 -0.007 0.000 1.062 93 S CB 2.054 65.254 63.200 -0.002 0.000 1.009 93 S HN 0.771 nan 8.310 nan 0.000 0.502 94 G N 0.060 108.894 108.800 0.056 0.000 2.760 94 G HA2 0.658 4.616 3.960 -0.003 0.000 0.296 94 G HA3 0.658 4.616 3.960 -0.003 0.000 0.296 94 G C -0.692 174.262 174.900 0.090 0.000 1.427 94 G CA -0.442 44.706 45.100 0.079 0.000 1.109 94 G HN 1.027 nan 8.290 nan 0.000 0.553 95 A N 1.988 124.894 122.820 0.143 0.000 2.247 95 A HA 0.762 5.080 4.320 -0.003 0.000 0.313 95 A C 1.603 179.207 177.584 0.033 0.000 1.109 95 A CA -0.281 51.840 52.037 0.140 0.000 0.890 95 A CB 0.762 20.000 19.000 0.396 0.000 1.239 95 A HN 0.897 nan 8.150 nan 0.000 0.506 96 R N -0.956 119.485 120.500 -0.098 0.000 2.127 96 R HA -0.016 4.322 4.340 -0.003 0.000 0.238 96 R C 0.529 176.776 176.300 -0.088 0.000 1.134 96 R CA 1.685 57.659 56.100 -0.210 0.000 0.975 96 R CB -0.217 29.751 30.300 -0.553 0.000 0.865 96 R HN 0.801 nan 8.270 nan 0.000 0.447 97 A N -0.288 122.558 122.820 0.043 0.000 2.374 97 A HA 0.437 4.755 4.320 -0.003 0.000 0.317 97 A C -0.899 176.784 177.584 0.166 0.000 1.094 97 A CA -0.598 51.526 52.037 0.145 0.000 0.765 97 A CB 1.693 20.873 19.000 0.301 0.000 1.268 97 A HN 0.201 nan 8.150 nan 0.000 0.438 98 S N 0.846 116.622 115.700 0.126 0.000 2.531 98 S HA 0.566 5.034 4.470 -0.003 0.000 0.279 98 S C -0.257 174.420 174.600 0.128 0.000 1.305 98 S CA -0.031 58.236 58.200 0.112 0.000 1.058 98 S CB -0.658 62.590 63.200 0.080 0.000 0.899 98 S HN 0.778 nan 8.310 nan 0.000 0.493 99 M N 4.001 123.672 119.600 0.120 0.000 2.569 99 M HA 0.597 5.075 4.480 -0.003 0.000 0.279 99 M C -3.064 173.273 176.300 0.063 0.000 1.253 99 M CA -2.389 52.976 55.300 0.108 0.000 0.867 99 M CB -0.647 32.042 32.600 0.149 0.000 1.727 99 M HN 0.172 nan 8.290 nan 0.000 0.467 100 P HA 0.438 nan 4.420 nan 0.000 0.261 100 P C 0.122 177.411 177.300 -0.017 0.000 1.183 100 P CA 1.146 64.245 63.100 -0.002 0.000 0.761 100 P CB 0.000 31.680 31.700 -0.034 0.000 0.785 101 G N 2.507 111.295 108.800 -0.019 0.000 3.405 101 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.676 101 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.676 101 G C -0.463 174.441 174.900 0.005 0.000 1.039 101 G CA -0.821 44.265 45.100 -0.022 0.000 0.855 101 G HN 0.393 nan 8.290 nan 0.000 0.443 102 M N 2.772 122.381 119.600 0.014 0.000 2.371 102 M HA 0.714 5.192 4.480 -0.003 0.000 0.301 102 M C 0.806 177.135 176.300 0.048 0.000 1.173 102 M CA -0.687 54.633 55.300 0.034 0.000 1.020 102 M CB 1.073 33.689 32.600 0.027 0.000 1.490 102 M HN 0.484 nan 8.290 nan 0.000 0.485 103 M N 0.236 119.871 119.600 0.058 0.000 2.706 103 M HA 0.415 4.894 4.480 -0.003 0.000 0.304 103 M C -0.826 175.499 176.300 0.042 0.000 1.217 103 M CA -0.626 54.714 55.300 0.066 0.000 0.922 103 M CB 1.035 33.687 32.600 0.085 0.000 1.637 103 M HN 0.516 nan 8.290 nan 0.000 0.492 104 D N 0.650 121.069 120.400 0.032 0.000 2.217 104 D HA 0.596 5.234 4.640 -0.003 0.000 0.248 104 D C -0.682 175.624 176.300 0.011 0.000 1.008 104 D CA -0.031 53.978 54.000 0.016 0.000 0.914 104 D CB 1.707 42.507 40.800 -0.000 0.000 1.182 104 D HN 0.402 nan 8.370 nan 0.000 0.451 105 T N 0.954 115.517 114.554 0.015 0.000 2.991 105 T HA 0.500 4.848 4.350 -0.003 0.000 0.303 105 T C -0.117 174.604 174.700 0.034 0.000 1.015 105 T CA -0.496 61.616 62.100 0.019 0.000 1.007 105 T CB 0.945 69.827 68.868 0.023 0.000 1.034 105 T HN 0.195 nan 8.240 nan 0.000 0.446 106 I N 3.606 124.202 120.570 0.043 0.000 2.466 106 I HA 0.469 4.637 4.170 -0.003 0.000 0.289 106 I C -0.703 175.469 176.117 0.092 0.000 1.026 106 I CA -0.837 60.519 61.300 0.093 0.000 1.078 106 I CB 1.739 39.809 38.000 0.116 0.000 1.249 106 I HN 0.334 nan 8.210 nan 0.000 0.429 107 L N 6.036 127.324 121.223 0.109 0.000 2.334 107 L HA 0.539 4.877 4.340 -0.003 0.000 0.270 107 L C 0.350 177.226 176.870 0.009 0.000 1.018 107 L CA -0.733 54.136 54.840 0.049 0.000 0.811 107 L CB 1.060 43.145 42.059 0.045 0.000 1.271 107 L HN 0.703 nan 8.230 nan 0.000 0.443 108 N N 0.618 119.258 118.700 -0.100 0.000 2.776 108 N HA -0.203 4.535 4.740 -0.003 0.000 0.250 108 N C -0.439 174.746 175.510 -0.542 0.000 1.112 108 N CA 0.481 53.373 53.050 -0.264 0.000 0.733 108 N CB -1.411 36.927 38.487 -0.248 0.000 1.097 108 N HN 0.487 nan 8.380 nan 0.000 0.558 109 L N 0.308 121.338 121.223 -0.323 0.000 2.499 109 L HA 0.351 4.689 4.340 -0.003 0.000 0.273 109 L C 1.414 178.171 176.870 -0.188 0.000 1.195 109 L CA 1.502 56.183 54.840 -0.264 0.000 0.882 109 L CB 0.148 42.278 42.059 0.119 0.000 1.133 109 L HN 0.481 nan 8.230 nan 0.000 0.483 110 G N 3.619 112.346 108.800 -0.122 0.000 2.229 110 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.189 110 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.189 110 G C 0.026 174.907 174.900 -0.033 0.000 1.000 110 G CA -0.220 44.986 45.100 0.177 0.000 0.663 110 G HN 0.484 nan 8.290 nan 0.000 0.493 111 L N 1.315 122.370 121.223 -0.281 0.000 2.467 111 L HA 0.506 4.844 4.340 -0.003 0.000 0.270 111 L C 0.692 177.699 176.870 0.227 0.000 1.205 111 L CA 0.438 55.209 54.840 -0.115 0.000 0.828 111 L CB 0.679 42.664 42.059 -0.123 0.000 1.101 111 L HN 0.689 nan 8.230 nan 0.000 0.479 112 N N -1.105 117.688 118.700 0.155 0.000 3.387 112 N HA 0.104 4.842 4.740 -0.003 0.000 0.294 112 N C -0.400 175.006 175.510 -0.173 0.000 1.519 112 N CA -0.728 52.454 53.050 0.220 0.000 0.875 112 N CB 0.318 38.903 38.487 0.163 0.000 1.657 112 N HN 0.277 nan 8.380 nan 0.000 0.527 113 D N -0.929 119.444 120.400 -0.045 0.000 2.263 113 D HA -0.002 4.636 4.640 -0.003 0.000 0.208 113 D C 1.246 177.450 176.300 -0.159 0.000 0.971 113 D CA 1.092 55.013 54.000 -0.132 0.000 0.867 113 D CB 0.120 40.934 40.800 0.024 0.000 0.929 113 D HN 0.338 nan 8.370 nan 0.000 0.492 114 V N -0.068 119.777 119.914 -0.115 0.000 2.922 114 V HA 0.143 4.261 4.120 -0.003 0.000 0.242 114 V C 2.207 178.225 176.094 -0.127 0.000 1.094 114 V CA 0.964 63.208 62.300 -0.094 0.000 1.106 114 V CB -0.159 31.640 31.823 -0.039 0.000 0.799 114 V HN 0.154 nan 8.190 nan 0.000 0.474 115 A N -0.008 122.727 122.820 -0.141 0.000 1.969 115 A HA -0.154 4.164 4.320 -0.003 0.000 0.218 115 A C 2.390 179.837 177.584 -0.228 0.000 1.169 115 A CA 1.860 53.806 52.037 -0.151 0.000 0.635 115 A CB -0.649 18.266 19.000 -0.140 0.000 0.810 115 A HN 0.311 nan 8.150 nan 0.000 0.445 116 V N -0.033 119.646 119.914 -0.392 0.000 2.469 116 V HA -0.216 3.902 4.120 -0.003 0.000 0.251 116 V C 2.353 178.223 176.094 -0.374 0.000 1.064 116 V CA 2.621 64.602 62.300 -0.530 0.000 1.066 116 V CB -0.486 30.709 31.823 -1.047 0.000 0.667 116 V HN 0.567 nan 8.190 nan 0.000 0.461 117 E N 0.318 120.358 120.200 -0.267 0.000 2.028 117 E HA -0.065 4.283 4.350 -0.003 0.000 0.190 117 E C 2.224 178.774 176.600 -0.083 0.000 0.984 117 E CA 1.344 57.657 56.400 -0.145 0.000 0.800 117 E CB -0.979 28.672 29.700 -0.083 0.000 0.758 117 E HN 0.655 nan 8.360 nan 0.000 0.448 118 G N 0.675 109.437 108.800 -0.063 0.000 2.469 118 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.220 118 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.220 118 G C 1.483 176.378 174.900 -0.009 0.000 1.136 118 G CA 0.630 45.711 45.100 -0.032 0.000 0.759 118 G HN 0.190 nan 8.290 nan 0.000 0.562 119 F N 2.295 122.119 119.950 -0.210 0.000 2.102 119 F HA 0.087 4.612 4.527 -0.003 0.000 0.298 119 F C 2.815 178.488 175.800 -0.212 0.000 1.105 119 F CA 1.026 58.872 58.000 -0.257 0.000 1.239 119 F CB -0.452 38.346 39.000 -0.338 0.000 0.991 119 F HN 0.227 nan 8.300 nan 0.000 0.474 120 A N -0.091 122.642 122.820 -0.146 0.000 1.933 120 A HA -0.186 4.132 4.320 -0.003 0.000 0.218 120 A C 2.256 179.766 177.584 -0.124 0.000 1.175 120 A CA 1.713 53.659 52.037 -0.152 0.000 0.628 120 A CB -0.588 18.373 19.000 -0.065 0.000 0.814 120 A HN 0.432 nan 8.150 nan 0.000 0.444 121 K N -0.313 120.028 120.400 -0.097 0.000 2.025 121 K HA -0.090 4.228 4.320 -0.003 0.000 0.207 121 K C 2.013 178.553 176.600 -0.101 0.000 1.049 121 K CA 1.274 57.516 56.287 -0.076 0.000 0.933 121 K CB -0.136 32.333 32.500 -0.051 0.000 0.714 121 K HN 0.180 nan 8.250 nan 0.000 0.438 122 K N 0.421 120.741 120.400 -0.133 0.000 2.057 122 K HA -0.105 4.213 4.320 -0.003 0.000 0.207 122 K C 2.337 178.826 176.600 -0.184 0.000 1.049 122 K CA 1.994 58.195 56.287 -0.142 0.000 0.931 122 K CB -0.621 31.794 32.500 -0.141 0.000 0.714 122 K HN 0.389 nan 8.250 nan 0.000 0.440 123 T N -2.610 111.772 114.554 -0.287 0.000 3.023 123 T HA 0.053 4.401 4.350 -0.003 0.000 0.266 123 T C 1.449 176.059 174.700 -0.150 0.000 1.093 123 T CA 1.065 63.012 62.100 -0.256 0.000 1.129 123 T CB -0.190 68.479 68.868 -0.332 0.000 0.899 123 T HN 0.353 nan 8.240 nan 0.000 0.491 124 G N 1.634 110.361 108.800 -0.122 0.000 2.160 124 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.251 124 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.251 124 G C -0.005 174.863 174.900 -0.053 0.000 1.008 124 G CA 0.187 45.242 45.100 -0.076 0.000 0.724 124 G HN 0.786 nan 8.290 nan 0.000 0.514 125 N N -0.010 118.664 118.700 -0.044 0.000 2.690 125 N HA 0.333 5.071 4.740 -0.003 0.000 0.255 125 N C -1.103 174.444 175.510 0.061 0.000 1.195 125 N CA -1.336 51.726 53.050 0.020 0.000 0.790 125 N CB 1.815 40.328 38.487 0.042 0.000 1.216 125 N HN 0.049 nan 8.380 nan 0.000 0.528 126 P HA -0.133 nan 4.420 nan 0.000 0.218 126 P C 1.309 178.727 177.300 0.197 0.000 1.149 126 P CA 0.730 63.907 63.100 0.128 0.000 0.817 126 P CB 0.699 32.479 31.700 0.133 0.000 0.785 127 R N -0.749 119.843 120.500 0.153 0.000 2.081 127 R HA -0.150 4.188 4.340 -0.003 0.000 0.235 127 R C 2.238 178.659 176.300 0.202 0.000 1.131 127 R CA 1.187 57.382 56.100 0.158 0.000 0.960 127 R CB -0.832 29.534 30.300 0.111 0.000 0.856 127 R HN 0.058 nan 8.270 nan 0.000 0.436 128 F N 1.145 121.119 119.950 0.040 0.000 2.234 128 F HA -0.026 4.499 4.527 -0.003 0.000 0.299 128 F C 1.922 177.776 175.800 0.089 0.000 1.087 128 F CA 1.028 59.051 58.000 0.038 0.000 1.340 128 F CB -0.412 38.569 39.000 -0.031 0.000 1.031 128 F HN 0.086 nan 8.300 nan 0.000 0.500 129 A N -0.506 122.238 122.820 -0.126 0.000 1.854 129 A HA -0.160 4.158 4.320 -0.003 0.000 0.214 129 A C 2.023 179.520 177.584 -0.144 0.000 1.192 129 A CA 1.502 53.449 52.037 -0.149 0.000 0.611 129 A CB -1.567 17.355 19.000 -0.131 0.000 0.832 129 A HN 0.455 nan 8.150 nan 0.000 0.442 130 Y N 0.031 120.318 120.300 -0.023 0.000 2.352 130 Y HA -0.145 4.402 4.550 -0.004 0.000 0.292 130 Y C 2.197 178.100 175.900 0.005 0.000 1.136 130 Y CA 1.408 59.514 58.100 0.010 0.000 1.227 130 Y CB -0.311 38.147 38.460 -0.003 0.000 0.991 130 Y HN 0.519 nan 8.280 nan 0.000 0.545 131 D N -0.849 119.618 120.400 0.112 0.000 2.117 131 D HA -0.145 4.493 4.640 -0.003 0.000 0.198 131 D C 2.095 178.402 176.300 0.012 0.000 0.982 131 D CA 1.744 55.778 54.000 0.058 0.000 0.828 131 D CB 0.011 40.870 40.800 0.099 0.000 0.967 131 D HN 0.104 nan 8.370 nan 0.000 0.464 132 S N -1.020 114.652 115.700 -0.048 0.000 2.368 132 S HA -0.128 4.340 4.470 -0.003 0.000 0.224 132 S C 1.608 176.226 174.600 0.030 0.000 1.029 132 S CA 0.634 58.806 58.200 -0.046 0.000 0.988 132 S CB -0.594 62.504 63.200 -0.171 0.000 0.838 132 S HN 0.367 nan 8.310 nan 0.000 0.462 133 Y N 3.723 123.942 120.300 -0.134 0.000 2.030 133 Y HA -0.322 4.227 4.550 -0.002 0.000 0.274 133 Y C 2.444 178.295 175.900 -0.082 0.000 1.153 133 Y CA 2.329 60.369 58.100 -0.100 0.000 1.115 133 Y CB -0.696 37.660 38.460 -0.173 0.000 0.969 133 Y HN 0.249 nan 8.280 nan 0.000 0.488 134 R N 0.290 120.713 120.500 -0.128 0.000 2.127 134 R HA -0.142 4.196 4.340 -0.003 0.000 0.238 134 R C 2.066 178.182 176.300 -0.307 0.000 1.134 134 R CA 1.942 57.808 56.100 -0.390 0.000 0.975 134 R CB -0.840 29.172 30.300 -0.479 0.000 0.865 134 R HN 0.302 nan 8.270 nan 0.000 0.447 135 R N -0.591 119.838 120.500 -0.118 0.000 2.062 135 R HA -0.024 4.314 4.340 -0.003 0.000 0.229 135 R C 2.120 178.433 176.300 0.022 0.000 1.128 135 R CA 1.431 57.520 56.100 -0.018 0.000 0.960 135 R CB -0.598 29.728 30.300 0.043 0.000 0.855 135 R HN 0.245 nan 8.270 nan 0.000 0.432 136 F N 2.038 121.931 119.950 -0.095 0.000 2.065 136 F HA -0.207 4.319 4.527 -0.002 0.000 0.298 136 F C 1.953 177.731 175.800 -0.037 0.000 1.112 136 F CA 1.372 59.349 58.000 -0.037 0.000 1.212 136 F CB -0.439 38.536 39.000 -0.042 0.000 0.975 136 F HN -0.105 nan 8.300 nan 0.000 0.476 137 I N 0.220 120.489 120.570 -0.502 0.000 2.151 137 I HA -0.393 3.775 4.170 -0.003 0.000 0.243 137 I C 2.648 178.547 176.117 -0.364 0.000 1.080 137 I CA 2.040 62.888 61.300 -0.754 0.000 1.339 137 I CB -0.751 36.716 38.000 -0.888 0.000 1.039 137 I HN 0.366 nan 8.210 nan 0.000 0.409 138 Q N 0.868 120.472 119.800 -0.327 0.000 2.016 138 Q HA -0.225 4.113 4.340 -0.003 0.000 0.200 138 Q C 2.410 178.259 176.000 -0.253 0.000 0.978 138 Q CA 1.716 57.175 55.803 -0.572 0.000 0.833 138 Q CB -0.050 28.523 28.738 -0.275 0.000 0.895 138 Q HN 0.440 nan 8.270 nan 0.000 0.427 139 M N -0.697 118.845 119.600 -0.096 0.000 2.149 139 M HA -0.205 4.273 4.480 -0.003 0.000 0.261 139 M C 2.015 178.314 176.300 -0.002 0.000 1.064 139 M CA 1.509 56.806 55.300 -0.005 0.000 1.102 139 M CB -0.403 32.236 32.600 0.065 0.000 1.369 139 M HN 0.309 nan 8.290 nan 0.000 0.408 140 Y N 0.746 120.928 120.300 -0.195 0.000 2.114 140 Y HA -0.223 4.325 4.550 -0.003 0.000 0.284 140 Y C 2.640 178.505 175.900 -0.060 0.000 1.143 140 Y CA 2.007 59.984 58.100 -0.205 0.000 1.135 140 Y CB -0.359 37.785 38.460 -0.526 0.000 0.980 140 Y HN 0.121 nan 8.280 nan 0.000 0.499 141 S N -0.167 115.709 115.700 0.292 0.000 2.383 141 S HA -0.233 4.235 4.470 -0.003 0.000 0.229 141 S C 1.636 176.385 174.600 0.249 0.000 1.030 141 S CA 1.603 60.041 58.200 0.398 0.000 1.002 141 S CB -0.532 63.007 63.200 0.565 0.000 0.829 141 S HN 0.669 nan 8.310 nan 0.000 0.467 142 D N 0.935 121.433 120.400 0.162 0.000 2.091 142 D HA -0.066 4.572 4.640 -0.003 0.000 0.199 142 D C 1.828 178.148 176.300 0.033 0.000 0.980 142 D CA 1.087 55.155 54.000 0.114 0.000 0.831 142 D CB -0.204 40.654 40.800 0.096 0.000 0.987 142 D HN 0.196 nan 8.370 nan 0.000 0.460 143 V N -0.129 119.770 119.914 -0.024 0.000 2.273 143 V HA -0.127 3.991 4.120 -0.003 0.000 0.242 143 V C 2.621 178.642 176.094 -0.123 0.000 1.035 143 V CA 1.284 63.540 62.300 -0.073 0.000 1.013 143 V CB -0.344 31.419 31.823 -0.101 0.000 0.652 143 V HN 0.127 nan 8.190 nan 0.000 0.452 144 V N -0.573 119.189 119.914 -0.253 0.000 2.221 144 V HA -0.170 3.948 4.120 -0.003 0.000 0.242 144 V C 1.684 177.728 176.094 -0.083 0.000 1.041 144 V CA 1.509 63.630 62.300 -0.299 0.000 0.995 144 V CB -0.533 30.826 31.823 -0.773 0.000 0.635 144 V HN 0.320 nan 8.190 nan 0.000 0.448 145 M N -0.034 119.580 119.600 0.022 0.000 1.928 145 M HA 0.247 4.725 4.480 -0.003 0.000 0.181 145 M C 0.636 176.958 176.300 0.037 0.000 1.134 145 M CA 0.616 55.956 55.300 0.067 0.000 1.127 145 M CB -0.537 32.147 32.600 0.139 0.000 1.067 145 M HN 0.230 nan 8.290 nan 0.000 0.595 146 E N 0.205 120.421 120.200 0.026 0.000 3.428 146 E HA 0.240 4.588 4.350 -0.003 0.000 0.191 146 E C -1.105 175.480 176.600 -0.024 0.000 0.980 146 E CA -0.143 56.260 56.400 0.004 0.000 1.305 146 E CB 0.807 30.500 29.700 -0.010 0.000 1.105 146 E HN 0.200 nan 8.360 nan 0.000 0.455 147 V N 4.095 124.015 119.914 0.010 0.000 2.479 147 V HA 0.098 4.216 4.120 -0.003 0.000 0.281 147 V C -1.691 174.343 176.094 -0.100 0.000 1.031 147 V CA -1.199 61.049 62.300 -0.088 0.000 1.038 147 V CB -0.170 31.654 31.823 0.001 0.000 0.981 147 V HN 0.163 nan 8.190 nan 0.000 0.478 148 P HA 0.142 nan 4.420 nan 0.000 0.269 148 P C 0.505 177.741 177.300 -0.107 0.000 1.215 148 P CA -0.430 62.561 63.100 -0.181 0.000 0.780 148 P CB 0.817 32.365 31.700 -0.254 0.000 0.898 149 K N 1.417 121.848 120.400 0.051 0.000 2.113 149 K HA -0.139 4.179 4.320 -0.003 0.000 0.208 149 K C 2.038 178.691 176.600 0.087 0.000 1.047 149 K CA 1.940 58.329 56.287 0.170 0.000 0.928 149 K CB -1.538 31.041 32.500 0.131 0.000 0.716 149 K HN 0.653 nan 8.250 nan 0.000 0.446 150 S N 1.398 117.100 115.700 0.004 0.000 2.393 150 S HA -0.302 4.166 4.470 -0.003 0.000 0.235 150 S C 1.979 176.593 174.600 0.024 0.000 1.061 150 S CA 1.764 59.976 58.200 0.020 0.000 1.129 150 S CB -1.281 61.928 63.200 0.015 0.000 1.011 150 S HN 0.481 nan 8.310 nan 0.000 0.436 151 H N 0.368 119.272 119.070 -0.276 0.000 2.357 151 H HA -0.106 4.446 4.556 -0.006 0.000 0.296 151 H C 1.909 176.953 175.328 -0.473 0.000 1.108 151 H CA 1.773 57.561 56.048 -0.433 0.000 1.273 151 H CB -0.249 29.109 29.762 -0.673 0.000 1.367 151 H HN 0.485 nan 8.280 nan 0.000 0.498 152 F N 0.796 120.669 119.950 -0.127 0.000 2.187 152 F HA -0.038 4.488 4.527 -0.001 0.000 0.295 152 F C 2.427 178.194 175.800 -0.056 0.000 1.091 152 F CA 0.665 58.428 58.000 -0.394 0.000 1.308 152 F CB -0.487 38.166 39.000 -0.577 0.000 1.030 152 F HN 0.070 nan 8.300 nan 0.000 0.487 153 E N 0.471 120.788 120.200 0.196 0.000 2.160 153 E HA -0.209 4.139 4.350 -0.003 0.000 0.195 153 E C 2.037 178.716 176.600 0.132 0.000 0.991 153 E CA 1.143 57.649 56.400 0.177 0.000 0.810 153 E CB -0.174 29.605 29.700 0.132 0.000 0.742 153 E HN 0.411 nan 8.360 nan 0.000 0.466 154 K N 0.411 120.861 120.400 0.083 0.000 2.057 154 K HA -0.115 4.203 4.320 -0.003 0.000 0.207 154 K C 2.141 178.789 176.600 0.079 0.000 1.049 154 K CA 1.086 57.407 56.287 0.057 0.000 0.931 154 K CB -0.081 32.425 32.500 0.010 0.000 0.714 154 K HN 0.131 nan 8.250 nan 0.000 0.440 155 I N 0.897 121.531 120.570 0.107 0.000 2.252 155 I HA -0.245 3.923 4.170 -0.003 0.000 0.245 155 I C 2.440 178.681 176.117 0.207 0.000 1.102 155 I CA 0.915 62.309 61.300 0.157 0.000 1.385 155 I CB -0.188 37.943 38.000 0.219 0.000 1.064 155 I HN 0.153 nan 8.210 nan 0.000 0.414 156 I N 1.100 121.835 120.570 0.276 0.000 2.226 156 I HA -0.324 3.844 4.170 -0.003 0.000 0.245 156 I C 1.923 178.126 176.117 0.143 0.000 1.100 156 I CA 1.805 63.241 61.300 0.227 0.000 1.374 156 I CB -0.166 37.993 38.000 0.264 0.000 1.057 156 I HN 0.228 nan 8.210 nan 0.000 0.413 157 D N 1.078 121.553 120.400 0.125 0.000 2.178 157 D HA -0.129 4.509 4.640 -0.003 0.000 0.201 157 D C 2.161 178.501 176.300 0.066 0.000 0.980 157 D CA 1.317 55.368 54.000 0.085 0.000 0.842 157 D CB -0.166 40.676 40.800 0.070 0.000 0.948 157 D HN 0.492 nan 8.370 nan 0.000 0.472 158 A N 1.010 123.873 122.820 0.071 0.000 1.835 158 A HA -0.174 4.144 4.320 -0.003 0.000 0.215 158 A C 2.224 179.841 177.584 0.054 0.000 1.199 158 A CA 1.752 53.822 52.037 0.054 0.000 0.615 158 A CB -0.802 18.230 19.000 0.053 0.000 0.838 158 A HN 0.231 nan 8.150 nan 0.000 0.444 159 M N -0.538 119.102 119.600 0.067 0.000 2.108 159 M HA -0.220 4.258 4.480 -0.003 0.000 0.261 159 M C 2.035 178.363 176.300 0.047 0.000 1.066 159 M CA 2.149 57.483 55.300 0.055 0.000 1.107 159 M CB -0.259 32.379 32.600 0.063 0.000 1.356 159 M HN 0.372 nan 8.290 nan 0.000 0.406 160 K N -0.132 120.302 120.400 0.058 0.000 2.009 160 K HA -0.216 4.102 4.320 -0.003 0.000 0.210 160 K C 2.094 178.721 176.600 0.046 0.000 1.049 160 K CA 1.665 57.984 56.287 0.053 0.000 0.929 160 K CB -0.490 32.050 32.500 0.066 0.000 0.714 160 K HN 0.430 nan 8.250 nan 0.000 0.440 161 E N 1.471 121.696 120.200 0.042 0.000 2.077 161 E HA -0.231 4.117 4.350 -0.003 0.000 0.193 161 E C 1.951 178.569 176.600 0.031 0.000 0.989 161 E CA 1.277 57.698 56.400 0.035 0.000 0.800 161 E CB 0.085 29.800 29.700 0.025 0.000 0.746 161 E HN 0.188 nan 8.360 nan 0.000 0.452 162 E N 1.092 121.308 120.200 0.028 0.000 2.051 162 E HA -0.150 4.198 4.350 -0.003 0.000 0.192 162 E C 1.580 178.190 176.600 0.017 0.000 0.991 162 E CA 1.055 57.467 56.400 0.021 0.000 0.799 162 E CB -0.032 29.681 29.700 0.022 0.000 0.748 162 E HN 0.201 nan 8.360 nan 0.000 0.449 163 K N -0.692 119.718 120.400 0.016 0.000 2.505 163 K HA 0.044 4.362 4.320 -0.003 0.000 0.192 163 K C 0.960 177.559 176.600 -0.001 0.000 1.025 163 K CA 0.502 56.793 56.287 0.006 0.000 1.086 163 K CB 0.106 32.608 32.500 0.004 0.000 0.840 163 K HN 0.318 nan 8.250 nan 0.000 0.514 164 G N 1.759 110.568 108.800 0.015 0.000 2.168 164 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.263 164 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.263 164 G C 0.379 175.273 174.900 -0.010 0.000 0.977 164 G CA 0.538 45.651 45.100 0.022 0.000 0.659 164 G HN 0.273 nan 8.290 nan 0.000 0.533 165 V N -3.506 116.400 119.914 -0.012 0.000 3.133 165 V HA 0.662 4.780 4.120 -0.003 0.000 0.305 165 V C 1.181 177.317 176.094 0.071 0.000 1.084 165 V CA 0.502 62.765 62.300 -0.061 0.000 1.089 165 V CB 1.085 32.899 31.823 -0.015 0.000 1.073 165 V HN 0.335 nan 8.190 nan 0.000 0.477 166 H N 0.805 119.797 119.070 -0.129 0.000 2.885 166 H HA 0.433 4.988 4.556 -0.003 0.000 0.260 166 H C -0.595 174.381 175.328 -0.586 0.000 0.985 166 H CA 0.013 55.838 56.048 -0.372 0.000 1.210 166 H CB 0.786 30.257 29.762 -0.485 0.000 1.466 166 H HN 0.549 nan 8.280 nan 0.000 0.493 167 F N -0.209 119.825 119.950 0.140 0.000 2.650 167 F HA 0.145 4.670 4.527 -0.004 0.000 0.320 167 F C 0.432 176.275 175.800 0.073 0.000 1.091 167 F CA -1.367 56.689 58.000 0.095 0.000 0.962 167 F CB 1.434 40.483 39.000 0.082 0.000 1.363 167 F HN -0.182 nan 8.300 nan 0.000 0.482 168 D N -0.880 119.724 120.400 0.341 0.000 2.315 168 D HA -0.134 4.504 4.640 -0.003 0.000 0.211 168 D C 1.913 178.302 176.300 0.148 0.000 0.977 168 D CA 1.764 55.881 54.000 0.195 0.000 0.894 168 D CB -0.088 40.809 40.800 0.162 0.000 0.910 168 D HN 0.551 nan 8.370 nan 0.000 0.490 169 T N -1.088 113.565 114.554 0.164 0.000 3.033 169 T HA -0.066 4.282 4.350 -0.003 0.000 0.248 169 T C 1.100 175.861 174.700 0.102 0.000 1.040 169 T CA 0.209 62.377 62.100 0.113 0.000 1.133 169 T CB -0.075 68.845 68.868 0.087 0.000 0.895 169 T HN -0.144 nan 8.240 nan 0.000 0.465 170 D N 1.703 122.177 120.400 0.124 0.000 2.400 170 D HA 0.058 4.696 4.640 -0.003 0.000 0.242 170 D C 0.309 176.638 176.300 0.049 0.000 1.077 170 D CA 0.281 54.329 54.000 0.080 0.000 0.943 170 D CB -0.311 40.533 40.800 0.073 0.000 0.882 170 D HN 0.498 nan 8.370 nan 0.000 0.529 171 L N 0.455 121.709 121.223 0.053 0.000 2.371 171 L HA 0.153 4.491 4.340 -0.003 0.000 0.272 171 L C 1.009 177.893 176.870 0.024 0.000 1.124 171 L CA -0.231 54.628 54.840 0.032 0.000 0.816 171 L CB 1.039 43.117 42.059 0.032 0.000 1.129 171 L HN -0.234 nan 8.230 nan 0.000 0.448 172 T N 0.807 115.365 114.554 0.006 0.000 2.899 172 T HA 0.225 4.573 4.350 -0.003 0.000 0.284 172 T C 1.271 175.965 174.700 -0.011 0.000 1.004 172 T CA 0.000 62.099 62.100 -0.002 0.000 1.043 172 T CB 1.725 70.584 68.868 -0.015 0.000 1.013 172 T HN 0.734 nan 8.240 nan 0.000 0.518 173 A N 1.614 124.430 122.820 -0.005 0.000 1.903 173 A HA -0.202 4.116 4.320 -0.003 0.000 0.219 173 A C 1.967 179.471 177.584 -0.134 0.000 1.191 173 A CA 1.940 53.964 52.037 -0.021 0.000 0.638 173 A CB -0.726 18.279 19.000 0.009 0.000 0.823 173 A HN 0.874 nan 8.150 nan 0.000 0.451 174 D N -0.077 120.251 120.400 -0.119 0.000 2.218 174 D HA -0.110 4.528 4.640 -0.003 0.000 0.204 174 D C 1.027 177.244 176.300 -0.139 0.000 0.976 174 D CA 1.340 55.249 54.000 -0.152 0.000 0.853 174 D CB -0.310 40.434 40.800 -0.093 0.000 0.939 174 D HN 0.497 nan 8.370 nan 0.000 0.481 175 D N 0.176 120.522 120.400 -0.090 0.000 2.213 175 D HA -0.002 4.636 4.640 -0.003 0.000 0.205 175 D C 2.384 178.641 176.300 -0.071 0.000 0.961 175 D CA 0.147 54.111 54.000 -0.061 0.000 0.853 175 D CB 0.014 40.798 40.800 -0.027 0.000 0.967 175 D HN 0.259 nan 8.370 nan 0.000 0.496 176 L N 0.698 121.873 121.223 -0.081 0.000 2.109 176 L HA -0.078 4.260 4.340 -0.003 0.000 0.207 176 L C 2.324 179.144 176.870 -0.082 0.000 1.086 176 L CA 0.894 55.700 54.840 -0.057 0.000 0.760 176 L CB -0.226 41.850 42.059 0.029 0.000 0.910 176 L HN -0.095 nan 8.230 nan 0.000 0.437 177 K N 0.220 120.436 120.400 -0.308 0.000 2.020 177 K HA -0.270 4.048 4.320 -0.003 0.000 0.212 177 K C 2.050 178.572 176.600 -0.130 0.000 1.050 177 K CA 1.906 57.914 56.287 -0.465 0.000 0.929 177 K CB -0.161 31.887 32.500 -0.753 0.000 0.714 177 K HN 0.120 nan 8.250 nan 0.000 0.443 178 E N 1.196 121.328 120.200 -0.113 0.000 2.038 178 E HA -0.191 4.157 4.350 -0.003 0.000 0.195 178 E C 1.858 178.463 176.600 0.008 0.000 1.000 178 E CA 0.948 57.327 56.400 -0.035 0.000 0.803 178 E CB -0.193 29.487 29.700 -0.033 0.000 0.750 178 E HN 0.123 nan 8.360 nan 0.000 0.448 179 L N 0.089 121.298 121.223 -0.023 0.000 2.131 179 L HA -0.038 4.300 4.340 -0.003 0.000 0.210 179 L C 2.122 178.934 176.870 -0.095 0.000 1.092 179 L CA 1.984 56.802 54.840 -0.037 0.000 0.759 179 L CB -0.767 41.206 42.059 -0.142 0.000 0.903 179 L HN 0.245 nan 8.230 nan 0.000 0.435 180 A N -1.272 121.497 122.820 -0.085 0.000 1.898 180 A HA -0.162 4.156 4.320 -0.003 0.000 0.216 180 A C 2.240 179.866 177.584 0.071 0.000 1.181 180 A CA 1.460 53.466 52.037 -0.052 0.000 0.620 180 A CB -0.510 18.608 19.000 0.197 0.000 0.819 180 A HN 0.423 nan 8.150 nan 0.000 0.442 181 E N 0.351 120.620 120.200 0.115 0.000 2.110 181 E HA -0.147 4.201 4.350 -0.003 0.000 0.193 181 E C 1.967 178.661 176.600 0.156 0.000 0.988 181 E CA 1.152 57.628 56.400 0.127 0.000 0.804 181 E CB -0.225 29.535 29.700 0.101 0.000 0.745 181 E HN 0.654 nan 8.360 nan 0.000 0.458 182 K N -0.442 120.070 120.400 0.187 0.000 2.057 182 K HA -0.125 4.193 4.320 -0.003 0.000 0.207 182 K C 2.156 178.963 176.600 0.344 0.000 1.049 182 K CA 1.058 57.487 56.287 0.236 0.000 0.931 182 K CB -0.258 32.397 32.500 0.258 0.000 0.714 182 K HN 0.049 nan 8.250 nan 0.000 0.440 183 F N 1.985 122.001 119.950 0.111 0.000 2.102 183 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 183 F C 2.159 178.058 175.800 0.165 0.000 1.105 183 F CA 1.296 59.403 58.000 0.179 0.000 1.239 183 F CB -0.370 38.607 39.000 -0.039 0.000 0.991 183 F HN -0.073 nan 8.300 nan 0.000 0.474 184 K N -0.193 120.330 120.400 0.204 0.000 2.063 184 K HA -0.170 4.148 4.320 -0.003 0.000 0.208 184 K C 2.278 179.031 176.600 0.256 0.000 1.048 184 K CA 1.262 57.638 56.287 0.148 0.000 0.928 184 K CB -0.520 32.023 32.500 0.071 0.000 0.713 184 K HN 0.225 nan 8.250 nan 0.000 0.442 185 A N 1.007 123.950 122.820 0.205 0.000 1.940 185 A HA -0.138 4.180 4.320 -0.003 0.000 0.219 185 A C 2.361 180.038 177.584 0.155 0.000 1.176 185 A CA 1.473 53.608 52.037 0.163 0.000 0.631 185 A CB -0.638 18.433 19.000 0.119 0.000 0.814 185 A HN 0.079 nan 8.150 nan 0.000 0.446 186 V N -1.429 118.588 119.914 0.172 0.000 2.295 186 V HA -0.291 3.827 4.120 -0.003 0.000 0.246 186 V C 2.340 178.539 176.094 0.175 0.000 1.049 186 V CA 2.163 64.523 62.300 0.099 0.000 1.024 186 V CB -1.039 30.776 31.823 -0.015 0.000 0.648 186 V HN 0.732 nan 8.190 nan 0.000 0.447 187 Y N 1.323 121.756 120.300 0.221 0.000 2.128 187 Y HA -0.303 4.246 4.550 -0.003 0.000 0.284 187 Y C 2.671 178.663 175.900 0.154 0.000 1.154 187 Y CA 2.461 60.705 58.100 0.240 0.000 1.149 187 Y CB -0.259 38.428 38.460 0.378 0.000 0.976 187 Y HN 0.155 nan 8.280 nan 0.000 0.505 188 K N 0.086 120.667 120.400 0.302 0.000 2.103 188 K HA -0.260 4.058 4.320 -0.003 0.000 0.207 188 K C 1.875 178.488 176.600 0.022 0.000 1.048 188 K CA 1.847 58.226 56.287 0.153 0.000 0.930 188 K CB -0.232 32.384 32.500 0.194 0.000 0.716 188 K HN 0.268 nan 8.250 nan 0.000 0.444 189 E N -0.375 119.844 120.200 0.030 0.000 2.511 189 E HA 0.001 4.349 4.350 -0.003 0.000 0.196 189 E C 0.880 177.456 176.600 -0.040 0.000 1.066 189 E CA 0.714 57.109 56.400 -0.007 0.000 0.871 189 E CB 0.285 29.979 29.700 -0.009 0.000 0.863 189 E HN 0.413 nan 8.360 nan 0.000 0.520 190 A N -0.436 122.333 122.820 -0.085 0.000 2.108 190 A HA 0.194 4.512 4.320 -0.003 0.000 0.206 190 A C 1.031 178.505 177.584 -0.183 0.000 1.212 190 A CA -0.014 51.953 52.037 -0.117 0.000 0.843 190 A CB 0.299 19.230 19.000 -0.115 0.000 0.902 190 A HN 0.168 nan 8.150 nan 0.000 0.477 191 M N 1.210 120.639 119.600 -0.286 0.000 3.179 191 M HA 0.238 4.716 4.480 -0.003 0.000 0.267 191 M C 0.137 176.365 176.300 -0.119 0.000 1.212 191 M CA -0.699 54.435 55.300 -0.277 0.000 1.105 191 M CB -1.499 30.776 32.600 -0.542 0.000 1.211 191 M HN 0.567 nan 8.290 nan 0.000 0.541 192 N N 1.850 120.505 118.700 -0.076 0.000 2.698 192 N HA -0.236 4.502 4.740 -0.003 0.000 0.258 192 N C 0.911 176.414 175.510 -0.012 0.000 0.978 192 N CA 0.613 53.643 53.050 -0.034 0.000 0.777 192 N CB -0.305 38.167 38.487 -0.024 0.000 0.907 192 N HN 0.941 nan 8.380 nan 0.000 0.543 193 G N 0.029 108.826 108.800 -0.005 0.000 2.162 193 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.260 193 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.260 193 G C -0.192 174.741 174.900 0.056 0.000 0.976 193 G CA 0.611 45.728 45.100 0.028 0.000 0.655 193 G HN 0.723 nan 8.290 nan 0.000 0.533 194 E N 1.273 121.505 120.200 0.054 0.000 2.316 194 E HA 0.384 4.732 4.350 -0.003 0.000 0.275 194 E C 1.027 177.778 176.600 0.251 0.000 1.029 194 E CA -0.266 56.206 56.400 0.120 0.000 0.871 194 E CB 0.268 30.032 29.700 0.106 0.000 1.022 194 E HN 0.627 nan 8.360 nan 0.000 0.418 195 E N 4.173 124.511 120.200 0.230 0.000 2.383 195 E HA -0.019 4.329 4.350 -0.003 0.000 0.264 195 E C -0.351 176.413 176.600 0.272 0.000 1.050 195 E CA -0.597 55.959 56.400 0.260 0.000 0.896 195 E CB 0.486 30.282 29.700 0.161 0.000 0.982 195 E HN 0.416 nan 8.360 nan 0.000 0.424 196 F N 3.109 123.065 119.950 0.011 0.000 2.623 196 F HA 0.031 4.555 4.527 -0.005 0.000 0.386 196 F C -1.872 173.673 175.800 -0.425 0.000 1.068 196 F CA -1.696 55.952 58.000 -0.588 0.000 1.265 196 F CB 0.359 39.094 39.000 -0.442 0.000 1.026 196 F HN 0.383 nan 8.300 nan 0.000 0.568 197 P HA -0.116 nan 4.420 nan 0.000 0.231 197 P C -0.086 177.012 177.300 -0.338 0.000 1.210 197 P CA 0.581 63.262 63.100 -0.698 0.000 1.332 197 P CB 0.073 31.191 31.700 -0.971 0.000 1.594 198 Q N 0.747 120.505 119.800 -0.070 0.000 2.119 198 Q HA -0.082 4.256 4.340 -0.003 0.000 0.201 198 Q C 0.608 176.630 176.000 0.037 0.000 0.972 198 Q CA 1.142 56.991 55.803 0.076 0.000 0.847 198 Q CB -0.046 28.744 28.738 0.087 0.000 0.903 198 Q HN 0.493 nan 8.270 nan 0.000 0.433 199 E N 2.139 122.328 120.200 -0.019 0.000 2.351 199 E HA -0.005 4.343 4.350 -0.003 0.000 0.266 199 E C -1.509 175.057 176.600 -0.057 0.000 1.031 199 E CA -1.471 54.907 56.400 -0.036 0.000 0.911 199 E CB 0.924 30.597 29.700 -0.045 0.000 0.986 199 E HN 0.079 nan 8.360 nan 0.000 0.446 200 P HA -0.153 nan 4.420 nan 0.000 0.218 200 P C 0.836 177.935 177.300 -0.335 0.000 1.148 200 P CA 1.269 64.259 63.100 -0.183 0.000 0.822 200 P CB 0.437 31.941 31.700 -0.327 0.000 0.784 201 K N -0.376 119.860 120.400 -0.273 0.000 2.062 201 K HA -0.091 4.227 4.320 -0.003 0.000 0.205 201 K C 1.933 178.558 176.600 0.042 0.000 1.051 201 K CA 1.115 57.339 56.287 -0.104 0.000 0.941 201 K CB -0.420 32.035 32.500 -0.074 0.000 0.719 201 K HN 0.064 nan 8.250 nan 0.000 0.440 202 D N 1.266 121.675 120.400 0.015 0.000 2.149 202 D HA -0.167 4.471 4.640 -0.003 0.000 0.198 202 D C 1.980 178.343 176.300 0.106 0.000 0.990 202 D CA 1.288 55.320 54.000 0.053 0.000 0.839 202 D CB 0.066 40.868 40.800 0.004 0.000 0.948 202 D HN 0.290 nan 8.370 nan 0.000 0.460 203 Q N -0.016 119.838 119.800 0.090 0.000 2.020 203 Q HA -0.157 4.181 4.340 -0.003 0.000 0.202 203 Q C 2.259 178.448 176.000 0.315 0.000 0.982 203 Q CA 0.712 56.688 55.803 0.288 0.000 0.838 203 Q CB -0.215 28.681 28.738 0.264 0.000 0.899 203 Q HN 0.166 nan 8.270 nan 0.000 0.423 204 L N 0.543 121.875 121.223 0.182 0.000 1.956 204 L HA -0.262 4.076 4.340 -0.003 0.000 0.216 204 L C 2.201 179.128 176.870 0.094 0.000 1.073 204 L CA 1.959 56.889 54.840 0.150 0.000 0.762 204 L CB -0.645 41.482 42.059 0.114 0.000 0.889 204 L HN 0.279 nan 8.230 nan 0.000 0.433 205 M N -0.453 119.199 119.600 0.086 0.000 2.073 205 M HA -0.163 4.315 4.480 -0.003 0.000 0.258 205 M C 2.352 178.671 176.300 0.033 0.000 1.070 205 M CA 1.873 57.203 55.300 0.050 0.000 1.103 205 M CB -2.376 30.276 32.600 0.085 0.000 1.321 205 M HN 0.477 nan 8.290 nan 0.000 0.405 206 G N 0.055 108.899 108.800 0.072 0.000 2.556 206 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.220 206 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.220 206 G C 1.646 176.490 174.900 -0.094 0.000 1.156 206 G CA 1.891 47.004 45.100 0.022 0.000 0.766 206 G HN 0.590 nan 8.290 nan 0.000 0.583 207 A N -0.346 122.422 122.820 -0.087 0.000 1.930 207 A HA 0.159 4.477 4.320 -0.003 0.000 0.217 207 A C 2.607 180.085 177.584 -0.177 0.000 1.175 207 A CA 1.794 53.748 52.037 -0.138 0.000 0.627 207 A CB -0.430 18.542 19.000 -0.046 0.000 0.815 207 A HN 0.301 nan 8.150 nan 0.000 0.443 208 V N 0.116 119.930 119.914 -0.167 0.000 2.358 208 V HA -0.244 3.874 4.120 -0.003 0.000 0.246 208 V C 2.411 178.257 176.094 -0.412 0.000 1.047 208 V CA 2.239 64.349 62.300 -0.317 0.000 1.035 208 V CB -0.641 31.075 31.823 -0.177 0.000 0.658 208 V HN 0.540 nan 8.190 nan 0.000 0.452 209 K N 0.533 120.828 120.400 -0.176 0.000 1.985 209 K HA -0.160 4.158 4.320 -0.003 0.000 0.210 209 K C 2.386 178.866 176.600 -0.202 0.000 1.047 209 K CA 1.575 57.789 56.287 -0.120 0.000 0.932 209 K CB -0.593 31.919 32.500 0.020 0.000 0.716 209 K HN 0.429 nan 8.250 nan 0.000 0.439 210 A N 1.351 124.076 122.820 -0.158 0.000 1.884 210 A HA -0.218 4.100 4.320 -0.003 0.000 0.219 210 A C 2.457 179.955 177.584 -0.143 0.000 1.197 210 A CA 2.177 54.137 52.037 -0.129 0.000 0.637 210 A CB -1.110 17.804 19.000 -0.143 0.000 0.827 210 A HN 0.107 nan 8.150 nan 0.000 0.450 211 V N -1.023 118.742 119.914 -0.248 0.000 2.252 211 V HA -0.296 3.822 4.120 -0.003 0.000 0.249 211 V C 2.381 178.390 176.094 -0.142 0.000 1.056 211 V CA 2.392 64.550 62.300 -0.238 0.000 1.022 211 V CB -1.106 30.466 31.823 -0.418 0.000 0.641 211 V HN 0.547 nan 8.190 nan 0.000 0.445 212 F N -0.068 119.745 119.950 -0.229 0.000 2.102 212 F HA -0.104 4.421 4.527 -0.004 0.000 0.298 212 F C 2.602 178.290 175.800 -0.187 0.000 1.105 212 F CA 1.230 59.015 58.000 -0.357 0.000 1.239 212 F CB -0.934 37.492 39.000 -0.957 0.000 0.991 212 F HN -0.026 nan 8.300 nan 0.000 0.474 213 R N 0.285 120.750 120.500 -0.058 0.000 2.096 213 R HA -0.139 4.199 4.340 -0.003 0.000 0.240 213 R C 2.247 178.684 176.300 0.229 0.000 1.139 213 R CA 1.637 57.805 56.100 0.113 0.000 0.952 213 R CB -1.056 29.281 30.300 0.062 0.000 0.854 213 R HN 0.206 nan 8.270 nan 0.000 0.436 214 S N -0.046 115.753 115.700 0.165 0.000 2.507 214 S HA -0.116 4.352 4.470 -0.003 0.000 0.235 214 S C 1.195 175.937 174.600 0.237 0.000 0.988 214 S CA 0.399 58.694 58.200 0.159 0.000 0.944 214 S CB -0.219 63.038 63.200 0.095 0.000 0.762 214 S HN 0.505 nan 8.310 nan 0.000 0.526 215 W N 2.066 123.466 121.300 0.167 0.000 2.595 215 W HA -0.026 4.633 4.660 -0.002 0.000 0.257 215 W C 0.741 177.351 176.519 0.151 0.000 1.267 215 W CA 0.886 58.343 57.345 0.187 0.000 1.300 215 W CB -0.135 29.494 29.460 0.281 0.000 1.120 215 W HN 0.267 nan 8.180 nan 0.000 0.618 216 D N -0.069 120.521 120.400 0.317 0.000 2.349 216 D HA 0.027 4.665 4.640 -0.003 0.000 0.214 216 D C 0.323 176.657 176.300 0.056 0.000 1.063 216 D CA 0.079 54.172 54.000 0.154 0.000 0.847 216 D CB 0.021 40.971 40.800 0.251 0.000 0.933 216 D HN 0.037 nan 8.370 nan 0.000 0.513 217 N N 1.154 119.882 118.700 0.046 0.000 2.267 217 N HA -0.001 4.737 4.740 -0.003 0.000 0.226 217 N C -1.695 173.800 175.510 -0.025 0.000 1.314 217 N CA -0.940 52.120 53.050 0.017 0.000 0.887 217 N CB 0.628 39.125 38.487 0.017 0.000 1.120 217 N HN 0.045 nan 8.380 nan 0.000 0.440 218 P HA -0.145 nan 4.420 nan 0.000 0.210 218 P C 0.430 177.706 177.300 -0.040 0.000 1.141 218 P CA 1.037 64.122 63.100 -0.025 0.000 0.757 218 P CB 0.058 31.749 31.700 -0.014 0.000 0.567 219 E N -0.084 120.097 120.200 -0.032 0.000 1.987 219 E HA -0.249 4.099 4.350 -0.003 0.000 0.214 219 E C 2.229 178.808 176.600 -0.036 0.000 1.012 219 E CA 1.630 58.013 56.400 -0.028 0.000 0.881 219 E CB -1.013 28.667 29.700 -0.034 0.000 0.806 219 E HN 0.262 nan 8.360 nan 0.000 0.516 220 A N 0.754 123.539 122.820 -0.059 0.000 1.909 220 A HA -0.302 4.016 4.320 -0.003 0.000 0.221 220 A C 2.179 179.714 177.584 -0.082 0.000 1.223 220 A CA 2.403 54.395 52.037 -0.074 0.000 0.658 220 A CB -1.048 17.903 19.000 -0.082 0.000 0.831 220 A HN 0.265 nan 8.150 nan 0.000 0.462 221 I N -0.615 119.867 120.570 -0.147 0.000 2.099 221 I HA -0.236 3.932 4.170 -0.003 0.000 0.239 221 I C 2.472 178.458 176.117 -0.218 0.000 1.066 221 I CA 1.670 62.803 61.300 -0.279 0.000 1.324 221 I CB -0.724 37.098 38.000 -0.297 0.000 1.037 221 I HN 0.169 nan 8.210 nan 0.000 0.401 222 V N -0.343 119.496 119.914 -0.125 0.000 2.332 222 V HA -0.346 3.772 4.120 -0.003 0.000 0.248 222 V C 2.306 178.359 176.094 -0.068 0.000 1.055 222 V CA 2.142 64.387 62.300 -0.092 0.000 1.038 222 V CB -1.008 30.783 31.823 -0.053 0.000 0.651 222 V HN 0.447 nan 8.190 nan 0.000 0.450 223 Y N 1.302 121.523 120.300 -0.131 0.000 2.128 223 Y HA -0.227 4.321 4.550 -0.003 0.000 0.284 223 Y C 2.769 178.583 175.900 -0.143 0.000 1.154 223 Y CA 1.786 59.817 58.100 -0.115 0.000 1.149 223 Y CB -0.194 38.210 38.460 -0.093 0.000 0.976 223 Y HN 0.079 nan 8.280 nan 0.000 0.505 224 R N -0.097 120.437 120.500 0.056 0.000 2.092 224 R HA -0.127 4.211 4.340 -0.003 0.000 0.231 224 R C 2.263 178.407 176.300 -0.259 0.000 1.119 224 R CA 1.635 57.698 56.100 -0.062 0.000 0.970 224 R CB -0.310 29.932 30.300 -0.096 0.000 0.864 224 R HN 0.396 nan 8.270 nan 0.000 0.440 225 R N 0.209 120.556 120.500 -0.255 0.000 2.057 225 R HA 0.050 4.388 4.340 -0.003 0.000 0.229 225 R C 2.460 178.597 176.300 -0.270 0.000 1.136 225 R CA 1.306 57.247 56.100 -0.265 0.000 0.952 225 R CB -0.236 29.973 30.300 -0.151 0.000 0.848 225 R HN 0.111 nan 8.270 nan 0.000 0.430 226 M N 0.487 119.944 119.600 -0.239 0.000 2.065 226 M HA -0.203 4.275 4.480 -0.003 0.000 0.259 226 M C 2.292 178.432 176.300 -0.267 0.000 1.071 226 M CA 1.675 56.839 55.300 -0.227 0.000 1.109 226 M CB -0.545 31.923 32.600 -0.220 0.000 1.313 226 M HN 0.269 nan 8.290 nan 0.000 0.408 227 N N 0.157 118.634 118.700 -0.371 0.000 2.081 227 N HA -0.177 4.561 4.740 -0.003 0.000 0.191 227 N C 1.424 176.781 175.510 -0.255 0.000 1.053 227 N CA 1.457 54.293 53.050 -0.357 0.000 0.846 227 N CB -0.145 37.990 38.487 -0.587 0.000 1.032 227 N HN 0.178 nan 8.380 nan 0.000 0.431 228 D N 0.705 120.945 120.400 -0.267 0.000 2.330 228 D HA -0.103 4.535 4.640 -0.003 0.000 0.228 228 D C 0.288 176.461 176.300 -0.212 0.000 1.136 228 D CA 1.439 55.307 54.000 -0.219 0.000 0.983 228 D CB -0.108 40.508 40.800 -0.306 0.000 1.403 228 D HN 0.354 nan 8.370 nan 0.000 0.524 229 I N 0.779 121.130 120.570 -0.364 0.000 2.599 229 I HA 0.207 4.375 4.170 -0.003 0.000 0.285 229 I C -2.338 173.558 176.117 -0.368 0.000 1.168 229 I CA -1.640 59.526 61.300 -0.223 0.000 1.060 229 I CB 2.622 40.651 38.000 0.048 0.000 1.249 229 I HN 0.058 nan 8.210 nan 0.000 0.442 230 P HA 0.605 nan 4.420 nan 0.000 0.277 230 P C 0.233 177.559 177.300 0.043 0.000 1.271 230 P CA 0.224 63.257 63.100 -0.113 0.000 0.795 230 P CB 1.860 33.517 31.700 -0.072 0.000 1.101 231 G N -0.418 108.440 108.800 0.096 0.000 2.013 231 G HA2 -0.079 3.879 3.960 -0.003 0.000 0.076 231 G HA3 -0.079 3.879 3.960 -0.003 0.000 0.076 231 G C -1.367 173.645 174.900 0.187 0.000 1.053 231 G CA -0.269 44.924 45.100 0.155 0.000 1.230 231 G HN 0.509 nan 8.290 nan 0.000 0.431 232 D N 0.682 121.232 120.400 0.251 0.000 2.502 232 D HA 0.393 5.031 4.640 -0.003 0.000 0.301 232 D C -0.861 175.600 176.300 0.269 0.000 1.202 232 D CA -0.291 53.836 54.000 0.212 0.000 0.878 232 D CB 0.432 41.302 40.800 0.117 0.000 1.062 232 D HN 0.170 nan 8.370 nan 0.000 0.499 233 W N 0.866 122.197 121.300 0.052 0.000 2.183 233 W HA 0.557 5.215 4.660 -0.003 0.000 0.348 233 W C 1.126 177.524 176.519 -0.202 0.000 1.257 233 W CA -0.013 57.349 57.345 0.028 0.000 1.324 233 W CB 1.176 30.779 29.460 0.240 0.000 1.144 233 W HN 0.230 nan 8.180 nan 0.000 0.622 234 G N -0.267 108.327 108.800 -0.343 0.000 2.578 234 G HA2 0.481 4.439 3.960 -0.003 0.000 0.302 234 G HA3 0.481 4.439 3.960 -0.003 0.000 0.302 234 G C -1.558 172.731 174.900 -1.019 0.000 1.243 234 G CA -0.583 43.964 45.100 -0.921 0.000 0.843 234 G HN 0.373 nan 8.290 nan 0.000 0.486 235 T N -0.916 113.309 114.554 -0.548 0.000 2.952 235 T HA 0.693 5.041 4.350 -0.003 0.000 0.305 235 T C -0.282 174.436 174.700 0.030 0.000 1.064 235 T CA 0.555 62.559 62.100 -0.160 0.000 1.008 235 T CB 1.110 70.022 68.868 0.073 0.000 1.078 235 T HN 1.492 nan 8.240 nan 0.000 0.459 236 A N 3.141 125.977 122.820 0.027 0.000 2.293 236 A HA 0.779 5.097 4.320 -0.003 0.000 0.302 236 A C -0.519 177.060 177.584 -0.008 0.000 1.119 236 A CA -0.510 51.557 52.037 0.050 0.000 0.823 236 A CB 0.846 19.867 19.000 0.035 0.000 1.097 236 A HN 0.755 nan 8.150 nan 0.000 0.491 237 V N 3.222 123.112 119.914 -0.040 0.000 2.409 237 V HA 0.279 4.397 4.120 -0.003 0.000 0.291 237 V C -0.516 175.511 176.094 -0.112 0.000 1.020 237 V CA -0.913 61.310 62.300 -0.128 0.000 0.848 237 V CB 1.385 33.055 31.823 -0.256 0.000 0.990 237 V HN 0.864 nan 8.190 nan 0.000 0.430 238 N N 3.637 122.278 118.700 -0.099 0.000 2.425 238 N HA 0.501 5.239 4.740 -0.003 0.000 0.268 238 N C -0.915 174.470 175.510 -0.209 0.000 0.991 238 N CA -0.244 52.744 53.050 -0.104 0.000 0.931 238 N CB 2.461 40.987 38.487 0.065 0.000 1.130 238 N HN 0.390 nan 8.380 nan 0.000 0.493 239 V N 2.286 121.903 119.914 -0.495 0.000 2.409 239 V HA 0.384 4.502 4.120 -0.003 0.000 0.291 239 V C 0.017 175.915 176.094 -0.326 0.000 1.020 239 V CA -0.681 61.323 62.300 -0.494 0.000 0.848 239 V CB 1.573 32.861 31.823 -0.892 0.000 0.990 239 V HN 0.620 nan 8.190 nan 0.000 0.430 240 Q N 2.509 122.253 119.800 -0.093 0.000 2.359 240 Q HA 0.451 4.789 4.340 -0.003 0.000 0.274 240 Q C -0.454 175.524 176.000 -0.037 0.000 1.074 240 Q CA -0.481 55.335 55.803 0.022 0.000 0.810 240 Q CB 2.413 31.215 28.738 0.108 0.000 1.342 240 Q HN 0.732 nan 8.270 nan 0.000 0.427 241 T N 3.031 117.553 114.554 -0.054 0.000 2.932 241 T HA 0.181 4.529 4.350 -0.003 0.000 0.312 241 T C 0.263 174.854 174.700 -0.182 0.000 1.071 241 T CA -0.122 61.897 62.100 -0.134 0.000 1.128 241 T CB 0.214 68.981 68.868 -0.168 0.000 0.984 241 T HN 0.516 nan 8.240 nan 0.000 0.549 242 M N 4.307 123.787 119.600 -0.201 0.000 2.342 242 M HA 0.438 4.916 4.480 -0.003 0.000 0.332 242 M C 0.134 176.206 176.300 -0.379 0.000 1.166 242 M CA -0.652 54.474 55.300 -0.289 0.000 1.086 242 M CB 1.201 33.648 32.600 -0.255 0.000 1.541 242 M HN 0.597 nan 8.290 nan 0.000 0.462 243 V N -0.264 119.306 119.914 -0.572 0.000 3.113 243 V HA 0.842 4.960 4.120 -0.003 0.000 0.316 243 V C -1.244 174.365 176.094 -0.810 0.000 1.125 243 V CA -0.795 61.235 62.300 -0.450 0.000 1.026 243 V CB 2.377 34.052 31.823 -0.247 0.000 1.080 243 V HN 0.751 nan 8.190 nan 0.000 0.444 244 F N -0.316 119.695 119.950 0.102 0.000 2.635 244 F HA 0.715 5.240 4.527 -0.004 0.000 0.314 244 F C 0.669 176.505 175.800 0.058 0.000 1.119 244 F CA -0.163 57.895 58.000 0.097 0.000 1.000 244 F CB 2.526 41.606 39.000 0.135 0.000 1.278 244 F HN 0.782 nan 8.300 nan 0.000 0.446 245 G N 0.441 109.349 108.800 0.180 0.000 3.519 245 G HA2 0.046 4.004 3.960 -0.003 0.000 0.269 245 G HA3 0.046 4.004 3.960 -0.003 0.000 0.269 245 G C 0.180 175.088 174.900 0.012 0.000 1.028 245 G CA -0.192 44.948 45.100 0.067 0.000 0.809 245 G HN 0.532 nan 8.290 nan 0.000 0.521 246 N N 0.061 118.770 118.700 0.015 0.000 2.234 246 N HA 0.086 4.824 4.740 -0.003 0.000 0.227 246 N C 1.019 176.475 175.510 -0.091 0.000 1.151 246 N CA -0.334 52.663 53.050 -0.088 0.000 0.865 246 N CB 0.318 38.675 38.487 -0.217 0.000 1.066 246 N HN 0.132 nan 8.380 nan 0.000 0.515 247 K N 0.190 120.568 120.400 -0.037 0.000 2.486 247 K HA 0.168 4.486 4.320 -0.003 0.000 0.194 247 K C 0.574 177.143 176.600 -0.051 0.000 1.033 247 K CA 0.532 56.783 56.287 -0.061 0.000 1.004 247 K CB 0.242 32.736 32.500 -0.010 0.000 0.798 247 K HN 0.390 nan 8.250 nan 0.000 0.495 248 G N 0.054 108.829 108.800 -0.042 0.000 2.327 248 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.291 248 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.291 248 G C -0.570 174.311 174.900 -0.031 0.000 1.290 248 G CA -0.696 44.381 45.100 -0.038 0.000 0.857 248 G HN -0.130 nan 8.290 nan 0.000 0.520 249 E N -0.142 120.042 120.200 -0.028 0.000 2.338 249 E HA -0.062 4.286 4.350 -0.003 0.000 0.197 249 E C 2.263 178.859 176.600 -0.007 0.000 1.007 249 E CA 1.677 58.063 56.400 -0.023 0.000 0.849 249 E CB -0.036 29.650 29.700 -0.023 0.000 0.774 249 E HN 0.628 nan 8.360 nan 0.000 0.506 250 T N -2.261 112.293 114.554 0.000 0.000 3.163 250 T HA 0.239 4.587 4.350 -0.003 0.000 0.252 250 T C 0.560 175.273 174.700 0.021 0.000 1.056 250 T CA -0.407 61.701 62.100 0.014 0.000 0.947 250 T CB 0.235 69.111 68.868 0.012 0.000 1.016 250 T HN -0.217 nan 8.240 nan 0.000 0.554 251 S N -0.176 115.534 115.700 0.015 0.000 2.536 251 S HA 0.869 5.337 4.470 -0.003 0.000 0.298 251 S C 0.045 174.652 174.600 0.011 0.000 1.083 251 S CA -0.720 57.495 58.200 0.025 0.000 0.995 251 S CB 1.932 65.150 63.200 0.030 0.000 1.058 251 S HN 0.758 nan 8.310 nan 0.000 0.488 252 G N -0.003 108.807 108.800 0.016 0.000 2.600 252 G HA2 0.665 4.623 3.960 -0.003 0.000 0.293 252 G HA3 0.665 4.623 3.960 -0.003 0.000 0.293 252 G C -1.506 173.352 174.900 -0.070 0.000 1.408 252 G CA -0.462 44.628 45.100 -0.017 0.000 0.782 252 G HN 0.734 nan 8.290 nan 0.000 0.482 253 T N -1.848 112.611 114.554 -0.159 0.000 2.894 253 T HA 0.810 5.158 4.350 -0.003 0.000 0.309 253 T C -0.260 174.136 174.700 -0.507 0.000 1.208 253 T CA 0.540 62.445 62.100 -0.325 0.000 1.016 253 T CB 1.588 70.321 68.868 -0.225 0.000 1.192 253 T HN 1.927 nan 8.240 nan 0.000 0.491 254 G N 0.917 109.117 108.800 -1.000 0.000 2.649 254 G HA2 0.644 4.602 3.960 -0.003 0.000 0.290 254 G HA3 0.644 4.602 3.960 -0.003 0.000 0.290 254 G C -1.991 172.418 174.900 -0.818 0.000 1.426 254 G CA -0.495 43.972 45.100 -1.055 0.000 0.794 254 G HN 0.888 nan 8.290 nan 0.000 0.483 255 V N -0.071 119.699 119.914 -0.240 0.000 2.623 255 V HA 0.844 4.962 4.120 -0.003 0.000 0.304 255 V C 0.062 176.271 176.094 0.193 0.000 1.054 255 V CA -0.153 62.149 62.300 0.003 0.000 0.882 255 V CB 1.108 32.912 31.823 -0.031 0.000 1.002 255 V HN 1.592 nan 8.190 nan 0.000 0.424 256 A N 3.992 126.958 122.820 0.244 0.000 2.556 256 A HA 0.973 5.291 4.320 -0.003 0.000 0.294 256 A C -1.616 176.008 177.584 0.066 0.000 1.091 256 A CA -0.476 51.735 52.037 0.291 0.000 0.704 256 A CB 1.591 20.877 19.000 0.475 0.000 1.300 256 A HN 0.566 nan 8.150 nan 0.000 0.406 257 F N 0.109 120.243 119.950 0.307 0.000 2.492 257 F HA 0.436 4.961 4.527 -0.004 0.000 0.327 257 F C 1.946 177.856 175.800 0.183 0.000 1.079 257 F CA 0.398 58.526 58.000 0.213 0.000 0.967 257 F CB 2.413 41.512 39.000 0.165 0.000 1.169 257 F HN 0.711 nan 8.300 nan 0.000 0.472 258 T N -1.177 113.552 114.554 0.292 0.000 2.985 258 T HA 0.169 4.517 4.350 -0.003 0.000 0.266 258 T C 0.657 175.461 174.700 0.175 0.000 1.076 258 T CA 0.615 62.818 62.100 0.173 0.000 1.135 258 T CB -0.046 68.881 68.868 0.098 0.000 0.890 258 T HN 0.500 nan 8.240 nan 0.000 0.480 259 R N 0.585 121.203 120.500 0.196 0.000 2.808 259 R HA 0.431 4.769 4.340 -0.003 0.000 0.272 259 R C -1.207 175.100 176.300 0.012 0.000 0.995 259 R CA -1.032 55.132 56.100 0.108 0.000 0.917 259 R CB 0.689 31.026 30.300 0.062 0.000 1.217 259 R HN 0.005 nan 8.270 nan 0.000 0.471 260 N N 3.418 122.064 118.700 -0.089 0.000 2.438 260 N HA 0.023 4.761 4.740 -0.003 0.000 0.267 260 N C -1.655 173.584 175.510 -0.452 0.000 1.222 260 N CA -1.369 51.448 53.050 -0.388 0.000 0.930 260 N CB 0.858 39.202 38.487 -0.238 0.000 1.083 260 N HN 0.343 nan 8.380 nan 0.000 0.476 261 P HA 0.052 nan 4.420 nan 0.000 0.236 261 P C -0.130 176.929 177.300 -0.401 0.000 1.177 261 P CA 0.629 63.376 63.100 -0.588 0.000 0.773 261 P CB 0.713 31.803 31.700 -1.016 0.000 0.878 262 D N -0.527 119.630 120.400 -0.404 0.000 2.259 262 D HA -0.046 4.592 4.640 -0.003 0.000 0.216 262 D C 1.963 178.166 176.300 -0.163 0.000 0.961 262 D CA 1.751 55.606 54.000 -0.241 0.000 0.878 262 D CB -0.406 40.271 40.800 -0.205 0.000 1.009 262 D HN 0.227 nan 8.370 nan 0.000 0.490 263 T N -4.140 110.317 114.554 -0.161 0.000 3.000 263 T HA 0.362 4.710 4.350 -0.003 0.000 0.248 263 T C 1.699 176.354 174.700 -0.075 0.000 1.034 263 T CA 0.611 62.656 62.100 -0.092 0.000 1.060 263 T CB 0.846 69.679 68.868 -0.058 0.000 0.983 263 T HN 0.159 nan 8.240 nan 0.000 0.482 264 G N 1.656 110.397 108.800 -0.098 0.000 2.141 264 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.242 264 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.242 264 G C -0.322 174.564 174.900 -0.023 0.000 0.982 264 G CA -0.073 44.992 45.100 -0.058 0.000 0.662 264 G HN 0.666 nan 8.290 nan 0.000 0.527 265 E N 0.702 120.890 120.200 -0.020 0.000 2.344 265 E HA 0.308 4.656 4.350 -0.003 0.000 0.270 265 E C 0.675 177.295 176.600 0.033 0.000 1.021 265 E CA -0.284 56.124 56.400 0.014 0.000 0.887 265 E CB 0.925 30.642 29.700 0.027 0.000 0.997 265 E HN 0.390 nan 8.360 nan 0.000 0.429 266 K N 1.919 122.344 120.400 0.042 0.000 2.485 266 K HA 0.210 4.528 4.320 -0.003 0.000 0.277 266 K C -0.062 176.583 176.600 0.074 0.000 0.990 266 K CA 0.644 56.963 56.287 0.054 0.000 0.994 266 K CB 0.281 32.809 32.500 0.046 0.000 0.906 266 K HN 0.718 nan 8.250 nan 0.000 0.488 267 G N 3.211 112.066 108.800 0.091 0.000 2.764 267 G HA2 -0.059 3.899 3.960 -0.003 0.000 0.678 267 G HA3 -0.059 3.899 3.960 -0.003 0.000 0.678 267 G C -0.940 174.062 174.900 0.170 0.000 1.341 267 G CA -0.709 44.458 45.100 0.112 0.000 0.836 267 G HN 0.729 nan 8.290 nan 0.000 0.632 268 I N 1.664 122.333 120.570 0.166 0.000 3.075 268 I HA 0.339 4.507 4.170 -0.003 0.000 0.320 268 I C -0.067 176.243 176.117 0.321 0.000 1.211 268 I CA 0.664 62.104 61.300 0.233 0.000 1.463 268 I CB -0.096 38.030 38.000 0.210 0.000 1.308 268 I HN 0.835 nan 8.210 nan 0.000 0.553 269 Y N 6.383 126.826 120.300 0.239 0.000 2.513 269 Y HA 0.730 5.278 4.550 -0.004 0.000 0.340 269 Y C -0.095 176.003 175.900 0.330 0.000 1.055 269 Y CA 0.136 58.379 58.100 0.239 0.000 1.020 269 Y CB 1.632 40.207 38.460 0.190 0.000 1.301 269 Y HN 0.912 nan 8.280 nan 0.000 0.453 270 G N 3.940 112.780 108.800 0.066 0.000 2.339 270 G HA2 0.410 4.368 3.960 -0.003 0.000 0.275 270 G HA3 0.410 4.368 3.960 -0.003 0.000 0.275 270 G C -1.919 173.032 174.900 0.085 0.000 1.323 270 G CA -1.110 44.120 45.100 0.217 0.000 0.927 270 G HN 0.711 nan 8.290 nan 0.000 0.486 271 R N -1.424 119.175 120.500 0.165 0.000 2.795 271 R HA 0.820 5.158 4.340 -0.003 0.000 0.268 271 R C -1.169 175.291 176.300 0.267 0.000 1.041 271 R CA -0.815 55.395 56.100 0.183 0.000 0.927 271 R CB 2.126 32.483 30.300 0.096 0.000 1.235 271 R HN 1.250 nan 8.270 nan 0.000 0.463 272 Y N -1.607 118.659 120.300 -0.057 0.000 2.779 272 Y HA 0.707 5.255 4.550 -0.003 0.000 0.340 272 Y C -2.261 173.573 175.900 -0.111 0.000 1.252 272 Y CA -1.432 56.587 58.100 -0.135 0.000 1.072 272 Y CB 1.008 39.405 38.460 -0.106 0.000 1.343 272 Y HN 0.437 nan 8.280 nan 0.000 0.450 273 L N 2.447 123.455 121.223 -0.357 0.000 2.466 273 L HA 0.505 4.843 4.340 -0.003 0.000 0.258 273 L C -1.137 175.551 176.870 -0.302 0.000 0.973 273 L CA -1.108 53.474 54.840 -0.430 0.000 0.826 273 L CB 2.307 44.214 42.059 -0.253 0.000 1.372 273 L HN 0.533 nan 8.230 nan 0.000 0.409 274 I N 2.435 122.833 120.570 -0.286 0.000 2.472 274 I HA 0.096 4.264 4.170 -0.003 0.000 0.290 274 I C 0.973 177.017 176.117 -0.123 0.000 1.016 274 I CA 0.127 61.340 61.300 -0.145 0.000 1.348 274 I CB 0.975 38.905 38.000 -0.118 0.000 1.417 274 I HN 0.816 nan 8.210 nan 0.000 0.521 275 N N 3.796 122.444 118.700 -0.086 0.000 2.671 275 N HA -0.196 4.542 4.740 -0.003 0.000 0.261 275 N C -0.975 174.461 175.510 -0.124 0.000 1.053 275 N CA 0.702 53.697 53.050 -0.092 0.000 0.732 275 N CB -0.272 38.162 38.487 -0.088 0.000 0.887 275 N HN 0.838 nan 8.380 nan 0.000 0.546 276 A N 1.313 124.059 122.820 -0.124 0.000 2.586 276 A HA 0.597 4.915 4.320 -0.003 0.000 0.290 276 A C -1.171 176.333 177.584 -0.134 0.000 1.086 276 A CA -0.703 51.243 52.037 -0.152 0.000 0.665 276 A CB 1.460 20.368 19.000 -0.153 0.000 1.279 276 A HN 0.359 nan 8.150 nan 0.000 0.423 277 Q N -0.307 119.402 119.800 -0.151 0.000 2.248 277 Q HA 0.463 4.801 4.340 -0.003 0.000 0.263 277 Q C 1.382 177.319 176.000 -0.104 0.000 1.007 277 Q CA -0.236 55.505 55.803 -0.104 0.000 0.877 277 Q CB 1.744 30.429 28.738 -0.088 0.000 1.315 277 Q HN 1.094 nan 8.270 nan 0.000 0.454 278 G N 1.602 110.346 108.800 -0.094 0.000 2.606 278 G HA2 -0.387 3.571 3.960 -0.003 0.000 0.221 278 G HA3 -0.387 3.571 3.960 -0.003 0.000 0.221 278 G C 0.914 175.770 174.900 -0.072 0.000 1.152 278 G CA 1.678 46.720 45.100 -0.096 0.000 0.765 278 G HN 0.812 nan 8.290 nan 0.000 0.595 279 E N 0.690 120.859 120.200 -0.051 0.000 2.095 279 E HA -0.261 4.087 4.350 -0.003 0.000 0.212 279 E C 2.070 178.637 176.600 -0.055 0.000 1.044 279 E CA 1.471 57.848 56.400 -0.039 0.000 0.857 279 E CB -0.455 29.229 29.700 -0.025 0.000 0.764 279 E HN 0.346 nan 8.360 nan 0.000 0.462 280 D N 0.451 120.804 120.400 -0.079 0.000 2.182 280 D HA -0.121 4.517 4.640 -0.003 0.000 0.201 280 D C 2.111 178.361 176.300 -0.083 0.000 0.986 280 D CA 0.874 54.822 54.000 -0.088 0.000 0.847 280 D CB -0.262 40.468 40.800 -0.116 0.000 0.942 280 D HN 0.081 nan 8.370 nan 0.000 0.467 281 V N 0.455 120.317 119.914 -0.087 0.000 2.270 281 V HA -0.200 3.918 4.120 -0.003 0.000 0.245 281 V C 2.639 178.706 176.094 -0.044 0.000 1.043 281 V CA 1.085 63.339 62.300 -0.076 0.000 1.014 281 V CB -0.640 31.131 31.823 -0.087 0.000 0.645 281 V HN 0.070 nan 8.190 nan 0.000 0.447 282 V N 0.524 120.417 119.914 -0.035 0.000 2.490 282 V HA -0.232 3.886 4.120 -0.003 0.000 0.250 282 V C 2.651 178.734 176.094 -0.018 0.000 1.061 282 V CA 1.862 64.153 62.300 -0.015 0.000 1.064 282 V CB -1.169 30.648 31.823 -0.011 0.000 0.670 282 V HN 0.556 nan 8.190 nan 0.000 0.461 283 A N -0.221 122.581 122.820 -0.030 0.000 1.968 283 A HA 0.198 4.516 4.320 -0.003 0.000 0.217 283 A C 2.258 179.824 177.584 -0.031 0.000 1.169 283 A CA 1.324 53.342 52.037 -0.031 0.000 0.638 283 A CB -0.844 18.132 19.000 -0.040 0.000 0.812 283 A HN 1.189 nan 8.150 nan 0.000 0.446 284 G N -1.379 107.400 108.800 -0.036 0.000 2.212 284 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.267 284 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.267 284 G C 1.006 175.884 174.900 -0.037 0.000 1.002 284 G CA 0.816 45.896 45.100 -0.034 0.000 0.729 284 G HN 0.675 nan 8.290 nan 0.000 0.517 285 V N 0.075 119.964 119.914 -0.042 0.000 2.255 285 V HA -0.081 4.037 4.120 -0.003 0.000 0.247 285 V C 1.918 177.983 176.094 -0.047 0.000 1.051 285 V CA 2.278 64.554 62.300 -0.040 0.000 1.018 285 V CB -0.307 31.491 31.823 -0.042 0.000 0.641 285 V HN 0.559 nan 8.190 nan 0.000 0.445 286 R N 0.757 121.221 120.500 -0.061 0.000 2.298 286 R HA 0.272 4.610 4.340 -0.003 0.000 0.310 286 R C 0.052 176.308 176.300 -0.073 0.000 1.068 286 R CA -0.132 55.925 56.100 -0.072 0.000 0.957 286 R CB 0.441 30.686 30.300 -0.092 0.000 1.003 286 R HN 0.255 nan 8.270 nan 0.000 0.454 287 T N 6.385 120.900 114.554 -0.065 0.000 2.734 287 T HA 0.039 4.387 4.350 -0.003 0.000 0.269 287 T C -2.020 172.630 174.700 -0.083 0.000 0.964 287 T CA -0.867 61.197 62.100 -0.060 0.000 1.226 287 T CB -0.162 68.677 68.868 -0.048 0.000 0.910 287 T HN 0.311 nan 8.240 nan 0.000 0.534 288 P HA 0.113 nan 4.420 nan 0.000 0.267 288 P C -0.150 177.102 177.300 -0.080 0.000 1.200 288 P CA -0.190 62.850 63.100 -0.101 0.000 0.772 288 P CB 0.487 32.153 31.700 -0.057 0.000 0.855 289 Q N 3.628 123.348 119.800 -0.133 0.000 2.241 289 Q HA 0.340 4.678 4.340 -0.003 0.000 0.254 289 Q C -2.224 173.897 176.000 0.202 0.000 0.917 289 Q CA -2.162 53.626 55.803 -0.025 0.000 0.919 289 Q CB 0.509 29.155 28.738 -0.153 0.000 1.237 289 Q HN 0.321 nan 8.270 nan 0.000 0.434 290 P HA -0.113 nan 4.420 nan 0.000 0.264 290 P C 0.559 177.965 177.300 0.177 0.000 1.183 290 P CA 0.076 63.243 63.100 0.112 0.000 0.763 290 P CB 0.436 32.151 31.700 0.025 0.000 0.807 291 I N 4.384 125.016 120.570 0.104 0.000 2.181 291 I HA -0.337 3.831 4.170 -0.003 0.000 0.247 291 I C 1.847 177.946 176.117 -0.031 0.000 1.081 291 I CA 2.752 64.042 61.300 -0.015 0.000 1.340 291 I CB -1.069 36.986 38.000 0.091 0.000 1.036 291 I HN 0.469 nan 8.210 nan 0.000 0.417 292 T N -2.235 112.350 114.554 0.051 0.000 2.962 292 T HA -0.225 4.123 4.350 -0.003 0.000 0.270 292 T C 1.806 176.437 174.700 -0.115 0.000 1.088 292 T CA 1.390 63.521 62.100 0.052 0.000 1.127 292 T CB -0.610 68.292 68.868 0.056 0.000 0.883 292 T HN 0.619 nan 8.240 nan 0.000 0.493 293 Q N 0.006 119.774 119.800 -0.053 0.000 2.369 293 Q HA 0.091 4.429 4.340 -0.003 0.000 0.206 293 Q C 2.013 177.955 176.000 -0.097 0.000 0.963 293 Q CA 0.391 56.175 55.803 -0.032 0.000 0.894 293 Q CB -0.363 28.441 28.738 0.111 0.000 0.965 293 Q HN 0.506 nan 8.270 nan 0.000 0.475 294 L N 1.059 122.095 121.223 -0.311 0.000 2.127 294 L HA -0.205 4.133 4.340 -0.003 0.000 0.211 294 L C 1.938 178.636 176.870 -0.287 0.000 1.089 294 L CA 2.052 56.658 54.840 -0.390 0.000 0.757 294 L CB -0.456 41.276 42.059 -0.546 0.000 0.899 294 L HN 0.318 nan 8.230 nan 0.000 0.434 295 E N -0.916 118.871 120.200 -0.688 0.000 2.204 295 E HA -0.228 4.120 4.350 -0.003 0.000 0.195 295 E C 1.585 178.005 176.600 -0.299 0.000 0.990 295 E CA 1.116 57.053 56.400 -0.773 0.000 0.821 295 E CB 0.031 29.005 29.700 -1.210 0.000 0.750 295 E HN 0.636 nan 8.360 nan 0.000 0.477 296 N N 0.917 119.493 118.700 -0.206 0.000 2.207 296 N HA -0.112 4.626 4.740 -0.003 0.000 0.182 296 N C 1.314 176.801 175.510 -0.038 0.000 1.020 296 N CA 0.971 53.965 53.050 -0.093 0.000 0.858 296 N CB -0.188 38.265 38.487 -0.058 0.000 0.991 296 N HN 0.244 nan 8.380 nan 0.000 0.427 297 D N 0.393 120.791 120.400 -0.004 0.000 2.106 297 D HA 0.057 4.695 4.640 -0.003 0.000 0.203 297 D C 0.403 176.720 176.300 0.028 0.000 0.977 297 D CA 0.939 54.963 54.000 0.039 0.000 0.844 297 D CB 0.306 41.178 40.800 0.121 0.000 1.002 297 D HN 0.176 nan 8.370 nan 0.000 0.461 298 M N 1.091 120.708 119.600 0.029 0.000 1.960 298 M HA 0.179 4.657 4.480 -0.003 0.000 0.271 298 M C -2.049 174.285 176.300 0.056 0.000 0.862 298 M CA -1.520 53.804 55.300 0.040 0.000 0.854 298 M CB 3.008 35.641 32.600 0.056 0.000 1.575 298 M HN -0.206 nan 8.290 nan 0.000 0.375 299 P HA -0.175 nan 4.420 nan 0.000 0.217 299 P C 0.430 177.806 177.300 0.127 0.000 1.150 299 P CA 1.470 64.614 63.100 0.073 0.000 0.832 299 P CB 0.229 31.949 31.700 0.033 0.000 0.787 300 D N -0.115 120.333 120.400 0.080 0.000 2.084 300 D HA -0.127 4.511 4.640 -0.003 0.000 0.194 300 D C 2.192 178.538 176.300 0.077 0.000 0.990 300 D CA 1.153 55.193 54.000 0.067 0.000 0.826 300 D CB -0.802 40.022 40.800 0.041 0.000 0.971 300 D HN 0.186 nan 8.370 nan 0.000 0.453 301 C N 0.492 119.838 119.300 0.078 0.000 2.446 301 C HA -0.139 4.319 4.460 -0.003 0.000 0.277 301 C C 2.557 177.614 174.990 0.110 0.000 1.275 301 C CA -0.152 58.910 59.018 0.073 0.000 1.727 301 C CB -1.189 26.579 27.740 0.047 0.000 2.010 301 C HN 0.338 nan 8.230 nan 0.000 0.486 302 Y N 2.159 122.460 120.300 0.002 0.000 2.053 302 Y HA -0.235 4.313 4.550 -0.003 0.000 0.277 302 Y C 2.568 178.528 175.900 0.100 0.000 1.159 302 Y CA 2.003 60.118 58.100 0.025 0.000 1.125 302 Y CB -0.412 38.040 38.460 -0.014 0.000 0.969 302 Y HN 0.072 nan 8.280 nan 0.000 0.492 303 K N 0.616 121.101 120.400 0.142 0.000 2.001 303 K HA -0.264 4.054 4.320 -0.003 0.000 0.214 303 K C 2.069 178.652 176.600 -0.030 0.000 1.050 303 K CA 2.315 58.624 56.287 0.037 0.000 0.934 303 K CB -0.676 31.871 32.500 0.079 0.000 0.718 303 K HN 0.594 nan 8.250 nan 0.000 0.443 304 Q N -0.788 119.024 119.800 0.020 0.000 2.045 304 Q HA -0.205 4.133 4.340 -0.003 0.000 0.206 304 Q C 2.075 178.087 176.000 0.019 0.000 0.991 304 Q CA 1.926 57.741 55.803 0.019 0.000 0.851 304 Q CB -0.414 28.356 28.738 0.053 0.000 0.911 304 Q HN 0.304 nan 8.270 nan 0.000 0.418 305 F N 1.428 121.318 119.950 -0.101 0.000 2.063 305 F HA -0.325 4.199 4.527 -0.004 0.000 0.298 305 F C 2.135 177.832 175.800 -0.172 0.000 1.109 305 F CA 1.622 59.550 58.000 -0.119 0.000 1.212 305 F CB -0.248 38.526 39.000 -0.376 0.000 0.973 305 F HN 0.037 nan 8.300 nan 0.000 0.480 306 M N 0.323 119.652 119.600 -0.451 0.000 2.080 306 M HA -0.234 4.244 4.480 -0.003 0.000 0.260 306 M C 1.962 178.037 176.300 -0.375 0.000 1.068 306 M CA 1.832 56.817 55.300 -0.526 0.000 1.109 306 M CB -1.438 30.922 32.600 -0.399 0.000 1.342 306 M HN 0.228 nan 8.290 nan 0.000 0.405 307 D N 0.612 120.862 120.400 -0.249 0.000 2.092 307 D HA -0.121 4.517 4.640 -0.003 0.000 0.193 307 D C 2.238 178.400 176.300 -0.230 0.000 0.994 307 D CA 1.274 55.162 54.000 -0.188 0.000 0.828 307 D CB -0.380 40.345 40.800 -0.124 0.000 0.963 307 D HN 0.362 nan 8.370 nan 0.000 0.450 308 L N 0.886 121.945 121.223 -0.274 0.000 2.131 308 L HA -0.125 4.213 4.340 -0.003 0.000 0.210 308 L C 2.671 179.295 176.870 -0.411 0.000 1.092 308 L CA 0.922 55.549 54.840 -0.354 0.000 0.759 308 L CB -0.548 41.235 42.059 -0.460 0.000 0.903 308 L HN -0.050 nan 8.230 nan 0.000 0.435 309 A N 0.133 122.677 122.820 -0.460 0.000 1.877 309 A HA -0.211 4.107 4.320 -0.003 0.000 0.216 309 A C 2.336 179.784 177.584 -0.227 0.000 1.186 309 A CA 1.700 53.501 52.037 -0.392 0.000 0.620 309 A CB -0.378 18.260 19.000 -0.603 0.000 0.822 309 A HN 0.270 nan 8.150 nan 0.000 0.443 310 M N -0.571 118.900 119.600 -0.216 0.000 2.229 310 M HA -0.060 4.418 4.480 -0.003 0.000 0.264 310 M C 2.013 178.250 176.300 -0.106 0.000 1.063 310 M CA 1.616 56.839 55.300 -0.128 0.000 1.114 310 M CB -1.148 31.382 32.600 -0.117 0.000 1.387 310 M HN 0.527 nan 8.290 nan 0.000 0.420 311 K N 0.493 120.807 120.400 -0.143 0.000 2.057 311 K HA -0.087 4.231 4.320 -0.003 0.000 0.206 311 K C 2.013 178.542 176.600 -0.118 0.000 1.050 311 K CA 0.924 57.132 56.287 -0.132 0.000 0.935 311 K CB 0.004 32.403 32.500 -0.169 0.000 0.715 311 K HN 0.241 nan 8.250 nan 0.000 0.439 312 L N 0.795 121.946 121.223 -0.120 0.000 1.970 312 L HA -0.220 4.118 4.340 -0.003 0.000 0.212 312 L C 2.653 179.600 176.870 0.127 0.000 1.071 312 L CA 1.705 56.544 54.840 -0.002 0.000 0.751 312 L CB -0.603 41.497 42.059 0.068 0.000 0.889 312 L HN 0.397 nan 8.230 nan 0.000 0.432 313 E N 0.544 120.795 120.200 0.085 0.000 2.070 313 E HA -0.286 4.062 4.350 -0.003 0.000 0.197 313 E C 2.180 178.819 176.600 0.066 0.000 1.004 313 E CA 1.659 58.118 56.400 0.100 0.000 0.805 313 E CB 0.090 29.816 29.700 0.043 0.000 0.744 313 E HN 0.387 nan 8.360 nan 0.000 0.451 314 K N -0.831 119.575 120.400 0.011 0.000 2.057 314 K HA -0.204 4.114 4.320 -0.003 0.000 0.207 314 K C 2.283 178.861 176.600 -0.037 0.000 1.049 314 K CA 1.557 57.836 56.287 -0.013 0.000 0.931 314 K CB -0.350 32.133 32.500 -0.029 0.000 0.714 314 K HN 0.267 nan 8.250 nan 0.000 0.440 315 H N 0.082 119.045 119.070 -0.179 0.000 2.293 315 H HA -0.107 4.446 4.556 -0.003 0.000 0.300 315 H C 1.542 176.704 175.328 -0.276 0.000 1.082 315 H CA 1.892 57.755 56.048 -0.308 0.000 1.308 315 H CB -0.138 29.291 29.762 -0.555 0.000 1.375 315 H HN 0.063 nan 8.280 nan 0.000 0.495 316 F N 0.371 120.268 119.950 -0.089 0.000 2.558 316 F HA 0.154 4.679 4.527 -0.003 0.000 0.298 316 F C 0.852 176.595 175.800 -0.095 0.000 1.119 316 F CA 0.924 58.852 58.000 -0.120 0.000 1.451 316 F CB -0.080 38.922 39.000 0.004 0.000 1.091 316 F HN 0.095 nan 8.300 nan 0.000 0.563 317 R N 0.818 121.363 120.500 0.075 0.000 3.332 317 R HA -0.219 4.119 4.340 -0.003 0.000 0.263 317 R C -1.086 175.254 176.300 0.066 0.000 1.053 317 R CA 0.783 56.904 56.100 0.036 0.000 0.705 317 R CB -2.272 28.021 30.300 -0.011 0.000 1.166 317 R HN 0.417 nan 8.270 nan 0.000 0.427 318 D N -1.073 119.386 120.400 0.098 0.000 2.842 318 D HA 0.052 4.690 4.640 -0.003 0.000 0.248 318 D C -0.466 175.891 176.300 0.094 0.000 1.140 318 D CA -0.709 53.342 54.000 0.084 0.000 0.728 318 D CB 0.764 41.607 40.800 0.072 0.000 1.595 318 D HN 0.046 nan 8.370 nan 0.000 0.450 319 M N 2.920 122.572 119.600 0.087 0.000 2.394 319 M HA -0.032 4.446 4.480 -0.003 0.000 0.394 319 M C -1.032 175.338 176.300 0.117 0.000 1.611 319 M CA 0.852 56.217 55.300 0.108 0.000 0.941 319 M CB 0.044 32.709 32.600 0.109 0.000 2.094 319 M HN 0.341 nan 8.290 nan 0.000 0.485 320 Q N 3.806 123.677 119.800 0.119 0.000 2.245 320 Q HA 0.312 4.650 4.340 -0.003 0.000 0.256 320 Q C -0.954 175.085 176.000 0.065 0.000 0.942 320 Q CA -0.314 55.533 55.803 0.074 0.000 0.896 320 Q CB 1.559 30.347 28.738 0.082 0.000 1.272 320 Q HN 0.559 nan 8.270 nan 0.000 0.442 321 D N 2.480 122.860 120.400 -0.033 0.000 2.349 321 D HA 0.420 5.058 4.640 -0.003 0.000 0.232 321 D C -1.012 175.203 176.300 -0.143 0.000 1.071 321 D CA -0.259 53.577 54.000 -0.275 0.000 0.832 321 D CB 0.477 41.112 40.800 -0.275 0.000 1.086 321 D HN 0.319 nan 8.370 nan 0.000 0.504 322 M N 1.981 121.539 119.600 -0.069 0.000 2.465 322 M HA 0.439 4.917 4.480 -0.003 0.000 0.316 322 M C -0.260 176.141 176.300 0.167 0.000 1.121 322 M CA -0.808 54.581 55.300 0.148 0.000 0.934 322 M CB 2.608 35.433 32.600 0.376 0.000 1.692 322 M HN 0.092 nan 8.290 nan 0.000 0.444 323 E N 2.542 122.836 120.200 0.158 0.000 2.179 323 E HA 0.677 5.025 4.350 -0.003 0.000 0.275 323 E C -1.529 175.119 176.600 0.080 0.000 0.945 323 E CA -0.605 55.835 56.400 0.067 0.000 0.792 323 E CB 1.877 31.572 29.700 -0.008 0.000 1.125 323 E HN 0.526 nan 8.360 nan 0.000 0.397 324 F N -1.238 118.580 119.950 -0.220 0.000 2.626 324 F HA 0.736 5.261 4.527 -0.003 0.000 0.311 324 F C -0.849 174.823 175.800 -0.214 0.000 1.088 324 F CA -0.855 56.920 58.000 -0.376 0.000 0.949 324 F CB 1.779 40.331 39.000 -0.746 0.000 1.322 324 F HN 0.100 nan 8.300 nan 0.000 0.461 325 T N 3.017 117.537 114.554 -0.056 0.000 2.952 325 T HA 0.596 4.944 4.350 -0.003 0.000 0.305 325 T C -0.947 173.801 174.700 0.080 0.000 1.064 325 T CA -0.438 61.638 62.100 -0.040 0.000 1.008 325 T CB 1.599 70.468 68.868 0.002 0.000 1.078 325 T HN 0.633 nan 8.240 nan 0.000 0.459 326 I N 2.490 123.093 120.570 0.055 0.000 2.362 326 I HA 0.402 4.570 4.170 -0.003 0.000 0.289 326 I C 0.136 176.294 176.117 0.068 0.000 0.994 326 I CA -0.615 60.712 61.300 0.045 0.000 1.158 326 I CB 1.660 39.694 38.000 0.058 0.000 1.315 326 I HN 0.587 nan 8.210 nan 0.000 0.451 327 E N 7.012 127.257 120.200 0.075 0.000 2.102 327 E HA 0.219 4.567 4.350 -0.003 0.000 0.263 327 E C -0.571 176.077 176.600 0.081 0.000 0.894 327 E CA -0.333 56.153 56.400 0.144 0.000 0.746 327 E CB 0.607 30.498 29.700 0.319 0.000 1.129 327 E HN 0.549 nan 8.360 nan 0.000 0.416 328 E N 2.897 123.133 120.200 0.060 0.000 2.297 328 E HA -0.290 4.058 4.350 -0.003 0.000 0.228 328 E C 0.487 177.096 176.600 0.016 0.000 1.213 328 E CA 0.514 56.937 56.400 0.037 0.000 0.712 328 E CB -1.390 28.338 29.700 0.046 0.000 1.202 328 E HN 1.073 nan 8.360 nan 0.000 0.376 329 G N 0.568 109.372 108.800 0.006 0.000 2.148 329 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.254 329 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.254 329 G C 0.112 174.985 174.900 -0.045 0.000 0.981 329 G CA 0.699 45.794 45.100 -0.007 0.000 0.670 329 G HN 0.307 nan 8.290 nan 0.000 0.528 330 K N 0.225 120.566 120.400 -0.099 0.000 2.394 330 K HA 0.634 4.952 4.320 -0.003 0.000 0.260 330 K C -0.113 176.224 176.600 -0.439 0.000 0.967 330 K CA -1.131 55.008 56.287 -0.248 0.000 0.855 330 K CB 0.775 33.113 32.500 -0.270 0.000 1.101 330 K HN 0.135 nan 8.250 nan 0.000 0.433 331 L N 5.437 126.466 121.223 -0.323 0.000 2.360 331 L HA 0.310 4.648 4.340 -0.003 0.000 0.276 331 L C -1.608 175.071 176.870 -0.318 0.000 1.121 331 L CA 0.379 55.091 54.840 -0.212 0.000 0.845 331 L CB -0.006 42.051 42.059 -0.003 0.000 1.143 331 L HN 0.498 nan 8.230 nan 0.000 0.452 332 Y N 4.573 124.943 120.300 0.117 0.000 2.499 332 Y HA 0.543 5.091 4.550 -0.003 0.000 0.347 332 Y C -0.797 175.167 175.900 0.108 0.000 0.987 332 Y CA -0.836 57.354 58.100 0.150 0.000 1.044 332 Y CB 1.588 40.097 38.460 0.081 0.000 1.245 332 Y HN 0.380 nan 8.280 nan 0.000 0.461 333 F N 2.716 122.835 119.950 0.282 0.000 2.403 333 F HA 0.395 4.920 4.527 -0.004 0.000 0.355 333 F C 0.586 176.465 175.800 0.133 0.000 1.119 333 F CA -0.533 57.595 58.000 0.212 0.000 1.007 333 F CB 1.077 40.174 39.000 0.161 0.000 1.194 333 F HN 0.422 nan 8.300 nan 0.000 0.443 334 L N 1.433 122.779 121.223 0.205 0.000 2.249 334 L HA 0.182 4.520 4.340 -0.003 0.000 0.207 334 L C 0.409 177.337 176.870 0.097 0.000 1.090 334 L CA 0.634 55.535 54.840 0.101 0.000 0.802 334 L CB 0.026 42.100 42.059 0.025 0.000 0.947 334 L HN 0.557 nan 8.230 nan 0.000 0.453 335 Q N -0.936 118.948 119.800 0.140 0.000 2.479 335 Q HA 0.334 4.672 4.340 -0.003 0.000 0.276 335 Q C -1.436 174.633 176.000 0.115 0.000 0.989 335 Q CA -0.254 55.603 55.803 0.090 0.000 0.864 335 Q CB 2.848 31.606 28.738 0.033 0.000 1.444 335 Q HN -0.093 nan 8.270 nan 0.000 0.388 336 T N 2.075 116.653 114.554 0.041 0.000 2.982 336 T HA 0.778 5.126 4.350 -0.003 0.000 0.321 336 T C -2.062 172.534 174.700 -0.174 0.000 1.229 336 T CA -0.483 61.605 62.100 -0.020 0.000 1.044 336 T CB 1.041 69.932 68.868 0.038 0.000 1.184 336 T HN 0.749 nan 8.240 nan 0.000 0.477 337 R N 2.177 122.558 120.500 -0.198 0.000 2.709 337 R HA 0.427 4.765 4.340 -0.003 0.000 0.270 337 R C -1.508 174.701 176.300 -0.152 0.000 1.038 337 R CA -1.095 54.877 56.100 -0.213 0.000 0.872 337 R CB 0.437 30.673 30.300 -0.108 0.000 1.259 337 R HN 0.465 nan 8.270 nan 0.000 0.473 338 N N 0.937 119.559 118.700 -0.130 0.000 2.427 338 N HA 0.085 4.823 4.740 -0.003 0.000 0.269 338 N C 0.294 175.825 175.510 0.035 0.000 1.235 338 N CA 0.642 53.669 53.050 -0.040 0.000 0.934 338 N CB 0.890 39.360 38.487 -0.028 0.000 1.121 338 N HN 0.719 nan 8.380 nan 0.000 0.480 339 G N 1.946 110.812 108.800 0.110 0.000 2.664 339 G HA2 0.030 3.988 3.960 -0.003 0.000 0.242 339 G HA3 0.030 3.988 3.960 -0.003 0.000 0.242 339 G C 0.381 175.393 174.900 0.187 0.000 1.225 339 G CA -0.335 44.913 45.100 0.246 0.000 0.849 339 G HN 0.336 nan 8.290 nan 0.000 0.581 340 K N 0.251 120.780 120.400 0.216 0.000 2.098 340 K HA 0.482 4.800 4.320 -0.003 0.000 0.257 340 K C 0.700 177.304 176.600 0.008 0.000 0.999 340 K CA -0.279 56.063 56.287 0.092 0.000 0.924 340 K CB 1.705 34.257 32.500 0.086 0.000 1.028 340 K HN 0.904 nan 8.250 nan 0.000 0.466 341 R N -1.713 118.776 120.500 -0.019 0.000 2.907 341 R HA 0.405 4.743 4.340 -0.003 0.000 0.266 341 R C -0.824 175.448 176.300 -0.047 0.000 1.031 341 R CA -0.722 55.339 56.100 -0.064 0.000 0.904 341 R CB 0.457 30.724 30.300 -0.055 0.000 1.358 341 R HN 0.647 nan 8.270 nan 0.000 0.438 342 T N -3.072 111.449 114.554 -0.055 0.000 2.938 342 T HA 0.606 4.954 4.350 -0.003 0.000 0.285 342 T C 1.278 175.961 174.700 -0.027 0.000 1.028 342 T CA -0.333 61.741 62.100 -0.042 0.000 1.005 342 T CB 1.798 70.632 68.868 -0.056 0.000 1.157 342 T HN 0.708 nan 8.240 nan 0.000 0.550 343 A N 0.807 123.613 122.820 -0.023 0.000 1.865 343 A HA 0.079 4.397 4.320 -0.003 0.000 0.217 343 A C -0.255 177.322 177.584 -0.011 0.000 1.191 343 A CA 1.490 53.521 52.037 -0.010 0.000 0.623 343 A CB -2.102 16.887 19.000 -0.018 0.000 0.826 343 A HN 0.731 nan 8.150 nan 0.000 0.444 344 P HA -0.083 nan 4.420 nan 0.000 0.217 344 P C 1.664 178.951 177.300 -0.022 0.000 1.150 344 P CA 1.862 64.942 63.100 -0.032 0.000 0.832 344 P CB -0.112 31.559 31.700 -0.048 0.000 0.787 345 A N 0.104 122.906 122.820 -0.031 0.000 1.898 345 A HA -0.040 4.278 4.320 -0.003 0.000 0.216 345 A C 2.340 179.918 177.584 -0.011 0.000 1.181 345 A CA 1.919 53.936 52.037 -0.034 0.000 0.620 345 A CB -1.611 17.351 19.000 -0.063 0.000 0.819 345 A HN 0.169 nan 8.150 nan 0.000 0.442 346 A N 0.191 123.010 122.820 -0.001 0.000 1.873 346 A HA -0.166 4.152 4.320 -0.003 0.000 0.218 346 A C 2.197 179.801 177.584 0.034 0.000 1.193 346 A CA 1.775 53.824 52.037 0.021 0.000 0.629 346 A CB -0.831 18.185 19.000 0.028 0.000 0.826 346 A HN 0.498 nan 8.150 nan 0.000 0.447 347 L N -1.325 119.916 121.223 0.031 0.000 1.970 347 L HA -0.273 4.065 4.340 -0.003 0.000 0.212 347 L C 2.902 179.784 176.870 0.020 0.000 1.071 347 L CA 1.949 56.804 54.840 0.026 0.000 0.751 347 L CB -0.801 41.278 42.059 0.034 0.000 0.889 347 L HN 0.490 nan 8.230 nan 0.000 0.432 348 Q N 0.712 120.520 119.800 0.013 0.000 2.112 348 Q HA -0.212 4.126 4.340 -0.003 0.000 0.206 348 Q C 1.986 178.006 176.000 0.033 0.000 0.987 348 Q CA 1.966 57.778 55.803 0.015 0.000 0.858 348 Q CB -0.358 28.381 28.738 0.002 0.000 0.905 348 Q HN 0.516 nan 8.270 nan 0.000 0.420 349 I N -0.218 120.372 120.570 0.033 0.000 2.233 349 I HA -0.230 3.938 4.170 -0.003 0.000 0.243 349 I C 2.241 178.403 176.117 0.075 0.000 1.093 349 I CA 0.796 62.123 61.300 0.046 0.000 1.380 349 I CB -0.632 37.389 38.000 0.035 0.000 1.067 349 I HN 0.301 nan 8.210 nan 0.000 0.413 350 A N 0.496 123.370 122.820 0.090 0.000 1.859 350 A HA -0.295 4.023 4.320 -0.003 0.000 0.217 350 A C 2.511 180.217 177.584 0.204 0.000 1.198 350 A CA 2.254 54.378 52.037 0.145 0.000 0.629 350 A CB -1.415 17.683 19.000 0.164 0.000 0.830 350 A HN 0.550 nan 8.150 nan 0.000 0.446 351 C N -0.512 118.897 119.300 0.182 0.000 2.367 351 C HA -0.171 4.287 4.460 -0.003 0.000 0.276 351 C C 2.465 177.562 174.990 0.179 0.000 1.195 351 C CA 1.165 60.317 59.018 0.224 0.000 1.756 351 C CB -1.473 26.318 27.740 0.084 0.000 2.046 351 C HN 0.636 nan 8.230 nan 0.000 0.453 352 D N 0.673 121.139 120.400 0.110 0.000 2.126 352 D HA -0.149 4.489 4.640 -0.003 0.000 0.190 352 D C 1.999 178.350 176.300 0.086 0.000 1.001 352 D CA 1.298 55.349 54.000 0.084 0.000 0.841 352 D CB -0.639 40.197 40.800 0.061 0.000 0.949 352 D HN 0.469 nan 8.370 nan 0.000 0.446 353 L N 0.531 121.807 121.223 0.089 0.000 2.129 353 L HA -0.183 4.155 4.340 -0.003 0.000 0.212 353 L C 2.542 179.452 176.870 0.066 0.000 1.087 353 L CA 0.580 55.463 54.840 0.072 0.000 0.757 353 L CB -0.204 41.898 42.059 0.072 0.000 0.896 353 L HN -0.036 nan 8.230 nan 0.000 0.434 354 V N -0.841 119.134 119.914 0.101 0.000 2.379 354 V HA -0.221 3.897 4.120 -0.003 0.000 0.245 354 V C 1.973 178.095 176.094 0.047 0.000 1.044 354 V CA 1.655 63.988 62.300 0.055 0.000 1.036 354 V CB -0.461 31.395 31.823 0.057 0.000 0.664 354 V HN 0.415 nan 8.190 nan 0.000 0.453 355 D N 0.254 120.705 120.400 0.084 0.000 2.178 355 D HA -0.140 4.498 4.640 -0.003 0.000 0.202 355 D C 2.000 178.323 176.300 0.039 0.000 0.974 355 D CA 1.001 55.039 54.000 0.064 0.000 0.841 355 D CB -0.119 40.728 40.800 0.078 0.000 0.953 355 D HN 0.562 nan 8.370 nan 0.000 0.478 356 E N -0.177 120.045 120.200 0.038 0.000 2.482 356 E HA 0.134 4.482 4.350 -0.003 0.000 0.196 356 E C 1.238 177.846 176.600 0.013 0.000 1.047 356 E CA 0.363 56.778 56.400 0.025 0.000 0.869 356 E CB 0.176 29.893 29.700 0.027 0.000 0.836 356 E HN 0.273 nan 8.360 nan 0.000 0.520 357 G N 1.257 110.062 108.800 0.008 0.000 2.159 357 G HA2 -0.371 3.587 3.960 -0.003 0.000 0.256 357 G HA3 -0.371 3.587 3.960 -0.003 0.000 0.256 357 G C 0.782 175.676 174.900 -0.011 0.000 0.977 357 G CA 0.646 45.742 45.100 -0.007 0.000 0.652 357 G HN 0.314 nan 8.290 nan 0.000 0.531 358 M N 0.077 119.675 119.600 -0.002 0.000 2.388 358 M HA 0.400 4.878 4.480 -0.003 0.000 0.265 358 M C 1.311 177.605 176.300 -0.011 0.000 1.088 358 M CA 1.431 56.728 55.300 -0.004 0.000 1.134 358 M CB 0.087 32.692 32.600 0.008 0.000 1.384 358 M HN 0.575 nan 8.290 nan 0.000 0.447 359 I N -3.580 116.984 120.570 -0.010 0.000 3.042 359 I HA 0.527 4.695 4.170 -0.003 0.000 0.310 359 I C -0.076 176.010 176.117 -0.052 0.000 1.117 359 I CA -1.073 60.214 61.300 -0.022 0.000 1.003 359 I CB 1.877 39.878 38.000 0.000 0.000 1.228 359 I HN -0.083 nan 8.210 nan 0.000 0.443 360 T N -0.556 113.954 114.554 -0.072 0.000 2.816 360 T HA 0.350 4.698 4.350 -0.003 0.000 0.282 360 T C 0.690 175.286 174.700 -0.172 0.000 0.993 360 T CA -0.142 61.888 62.100 -0.117 0.000 0.994 360 T CB 1.425 70.228 68.868 -0.109 0.000 1.025 360 T HN 0.804 nan 8.240 nan 0.000 0.529 361 E N 0.449 120.480 120.200 -0.282 0.000 2.047 361 E HA -0.143 4.205 4.350 -0.003 0.000 0.191 361 E C 2.102 178.627 176.600 -0.126 0.000 0.987 361 E CA 1.231 57.348 56.400 -0.471 0.000 0.799 361 E CB -0.158 29.098 29.700 -0.739 0.000 0.752 361 E HN 0.747 nan 8.360 nan 0.000 0.449 362 E N 1.201 121.318 120.200 -0.140 0.000 2.086 362 E HA -0.255 4.093 4.350 -0.003 0.000 0.205 362 E C 1.894 178.407 176.600 -0.145 0.000 1.027 362 E CA 1.713 57.907 56.400 -0.344 0.000 0.830 362 E CB -0.131 29.302 29.700 -0.445 0.000 0.751 362 E HN 0.280 nan 8.360 nan 0.000 0.456 363 E N -0.343 119.799 120.200 -0.096 0.000 2.110 363 E HA -0.200 4.148 4.350 -0.003 0.000 0.193 363 E C 1.997 178.619 176.600 0.036 0.000 0.988 363 E CA 0.922 57.300 56.400 -0.036 0.000 0.804 363 E CB -0.182 29.497 29.700 -0.035 0.000 0.745 363 E HN 0.320 nan 8.360 nan 0.000 0.458 364 A N 0.802 123.673 122.820 0.086 0.000 1.865 364 A HA -0.189 4.129 4.320 -0.003 0.000 0.217 364 A C 2.511 180.233 177.584 0.230 0.000 1.191 364 A CA 1.484 53.645 52.037 0.207 0.000 0.623 364 A CB -0.853 18.393 19.000 0.410 0.000 0.826 364 A HN 0.134 nan 8.150 nan 0.000 0.444 365 V N -0.267 119.818 119.914 0.284 0.000 2.287 365 V HA -0.259 3.859 4.120 -0.003 0.000 0.248 365 V C 2.539 178.715 176.094 0.136 0.000 1.053 365 V CA 2.158 64.616 62.300 0.263 0.000 1.027 365 V CB -0.850 31.189 31.823 0.359 0.000 0.646 365 V HN 0.380 nan 8.190 nan 0.000 0.447 366 V N 1.179 121.137 119.914 0.075 0.000 2.626 366 V HA -0.193 3.925 4.120 -0.003 0.000 0.252 366 V C 2.463 178.584 176.094 0.044 0.000 1.067 366 V CA 2.138 64.459 62.300 0.035 0.000 1.081 366 V CB -0.931 30.885 31.823 -0.011 0.000 0.686 366 V HN 0.714 nan 8.190 nan 0.000 0.468 367 R N 0.209 120.743 120.500 0.058 0.000 2.246 367 R HA 0.179 4.517 4.340 -0.003 0.000 0.199 367 R C 0.832 177.166 176.300 0.056 0.000 0.984 367 R CA 0.229 56.360 56.100 0.052 0.000 1.015 367 R CB -0.267 30.064 30.300 0.051 0.000 0.930 367 R HN 0.342 nan 8.270 nan 0.000 0.475 368 I N 2.995 123.606 120.570 0.069 0.000 2.471 368 I HA -0.022 4.146 4.170 -0.003 0.000 0.286 368 I C 0.319 176.469 176.117 0.055 0.000 1.079 368 I CA -0.174 61.164 61.300 0.064 0.000 1.398 368 I CB 0.993 39.038 38.000 0.074 0.000 1.403 368 I HN 0.240 nan 8.210 nan 0.000 0.530 369 E N 5.997 126.225 120.200 0.047 0.000 2.159 369 E HA 0.109 4.457 4.350 -0.003 0.000 0.272 369 E C 0.929 177.557 176.600 0.047 0.000 1.138 369 E CA -0.098 56.327 56.400 0.042 0.000 0.915 369 E CB 0.902 30.622 29.700 0.034 0.000 1.028 369 E HN 0.789 nan 8.360 nan 0.000 0.423 370 A N 5.801 128.651 122.820 0.050 0.000 1.908 370 A HA -0.259 4.059 4.320 -0.003 0.000 0.218 370 A C 1.879 179.496 177.584 0.055 0.000 1.181 370 A CA 1.872 53.943 52.037 0.056 0.000 0.627 370 A CB -0.409 18.624 19.000 0.054 0.000 0.818 370 A HN 0.809 nan 8.150 nan 0.000 0.445 371 K N 0.539 120.966 120.400 0.044 0.000 2.281 371 K HA -0.137 4.181 4.320 -0.003 0.000 0.203 371 K C 1.871 178.489 176.600 0.030 0.000 1.046 371 K CA 1.778 58.087 56.287 0.037 0.000 0.938 371 K CB -0.483 32.035 32.500 0.030 0.000 0.737 371 K HN 0.510 nan 8.250 nan 0.000 0.458 372 S N 1.939 117.657 115.700 0.030 0.000 2.383 372 S HA -0.078 4.390 4.470 -0.003 0.000 0.227 372 S C 2.067 176.676 174.600 0.015 0.000 1.026 372 S CA 0.638 58.849 58.200 0.019 0.000 0.981 372 S CB -0.733 62.479 63.200 0.020 0.000 0.818 372 S HN 0.348 nan 8.310 nan 0.000 0.472 373 L N 2.905 124.153 121.223 0.041 0.000 2.211 373 L HA -0.226 4.112 4.340 -0.003 0.000 0.216 373 L C 2.662 179.520 176.870 -0.020 0.000 1.092 373 L CA 1.894 56.765 54.840 0.051 0.000 0.767 373 L CB -1.174 40.975 42.059 0.149 0.000 0.894 373 L HN 0.578 nan 8.230 nan 0.000 0.437 374 D N -0.140 120.251 120.400 -0.014 0.000 2.228 374 D HA -0.272 4.366 4.640 -0.003 0.000 0.203 374 D C 1.767 178.012 176.300 -0.091 0.000 0.988 374 D CA 1.326 55.292 54.000 -0.056 0.000 0.864 374 D CB -0.286 40.509 40.800 -0.009 0.000 0.928 374 D HN 0.517 nan 8.370 nan 0.000 0.469 375 Q N -0.007 119.756 119.800 -0.061 0.000 2.124 375 Q HA -0.011 4.327 4.340 -0.003 0.000 0.202 375 Q C 2.609 178.551 176.000 -0.097 0.000 0.977 375 Q CA 0.769 56.537 55.803 -0.058 0.000 0.850 375 Q CB -0.055 28.655 28.738 -0.047 0.000 0.901 375 Q HN 0.401 nan 8.270 nan 0.000 0.429 376 L N 0.064 121.190 121.223 -0.161 0.000 2.275 376 L HA -0.126 4.212 4.340 -0.003 0.000 0.215 376 L C 1.965 178.703 176.870 -0.222 0.000 1.119 376 L CA 0.681 55.376 54.840 -0.242 0.000 0.790 376 L CB -0.151 41.633 42.059 -0.458 0.000 0.919 376 L HN 0.247 nan 8.230 nan 0.000 0.443 377 L N -1.941 119.153 121.223 -0.216 0.000 2.416 377 L HA 0.077 4.415 4.340 -0.003 0.000 0.216 377 L C 0.265 177.054 176.870 -0.135 0.000 1.098 377 L CA 0.140 54.866 54.840 -0.190 0.000 0.840 377 L CB 0.061 41.983 42.059 -0.228 0.000 0.981 377 L HN 0.260 nan 8.230 nan 0.000 0.462 378 H N -0.608 118.457 119.070 -0.007 0.000 2.547 378 H HA 0.295 4.849 4.556 -0.003 0.000 0.342 378 H C -2.250 173.069 175.328 -0.013 0.000 1.048 378 H CA -2.258 53.775 56.048 -0.026 0.000 1.204 378 H CB 1.456 31.192 29.762 -0.043 0.000 1.493 378 H HN -0.168 nan 8.280 nan 0.000 0.511 379 P HA -0.063 nan 4.420 nan 0.000 0.269 379 P C -0.480 176.881 177.300 0.101 0.000 1.205 379 P CA 0.194 63.346 63.100 0.085 0.000 0.780 379 P CB 0.577 32.323 31.700 0.076 0.000 0.858 380 T N -0.963 113.644 114.554 0.088 0.000 2.971 380 T HA 0.661 5.009 4.350 -0.003 0.000 0.304 380 T C -0.515 174.247 174.700 0.103 0.000 1.038 380 T CA -0.863 61.279 62.100 0.070 0.000 1.007 380 T CB 0.399 69.245 68.868 -0.037 0.000 1.055 380 T HN 0.207 nan 8.240 nan 0.000 0.451 381 F N 0.753 120.684 119.950 -0.032 0.000 2.378 381 F HA 0.675 5.200 4.527 -0.003 0.000 0.325 381 F C 0.522 176.293 175.800 -0.048 0.000 1.097 381 F CA -1.846 56.130 58.000 -0.041 0.000 1.079 381 F CB -0.080 38.890 39.000 -0.051 0.000 1.240 381 F HN 0.579 nan 8.300 nan 0.000 0.519 382 N N 2.614 121.339 118.700 0.040 0.000 2.034 382 N HA -0.067 4.671 4.740 -0.003 0.000 0.293 382 N C -1.836 173.560 175.510 -0.190 0.000 1.336 382 N CA -0.888 52.131 53.050 -0.052 0.000 0.819 382 N CB 0.227 38.724 38.487 0.017 0.000 1.071 382 N HN 0.349 nan 8.380 nan 0.000 0.495 383 P HA -0.116 nan 4.420 nan 0.000 0.221 383 P C 0.594 177.798 177.300 -0.159 0.000 1.145 383 P CA 1.222 64.190 63.100 -0.220 0.000 0.795 383 P CB 0.121 31.735 31.700 -0.143 0.000 0.775 384 A N 0.299 123.059 122.820 -0.099 0.000 1.872 384 A HA -0.024 4.294 4.320 -0.003 0.000 0.214 384 A C 2.326 179.877 177.584 -0.055 0.000 1.187 384 A CA 1.790 53.792 52.037 -0.059 0.000 0.614 384 A CB -1.516 17.466 19.000 -0.029 0.000 0.826 384 A HN 0.194 nan 8.150 nan 0.000 0.442 385 A N -0.670 122.128 122.820 -0.038 0.000 2.019 385 A HA -0.016 4.302 4.320 -0.003 0.000 0.219 385 A C 2.097 179.678 177.584 -0.006 0.000 1.164 385 A CA 1.679 53.736 52.037 0.033 0.000 0.644 385 A CB -0.506 18.597 19.000 0.172 0.000 0.805 385 A HN 0.638 nan 8.150 nan 0.000 0.449 386 L N -0.483 120.610 121.223 -0.216 0.000 2.072 386 L HA -0.001 4.337 4.340 -0.003 0.000 0.205 386 L C 2.195 178.913 176.870 -0.254 0.000 1.079 386 L CA 2.419 57.023 54.840 -0.395 0.000 0.752 386 L CB -0.406 41.287 42.059 -0.609 0.000 0.906 386 L HN 0.381 nan 8.230 nan 0.000 0.436 387 K N -0.778 119.542 120.400 -0.133 0.000 2.155 387 K HA 0.007 4.325 4.320 -0.003 0.000 0.203 387 K C 1.871 178.467 176.600 -0.007 0.000 1.052 387 K CA 0.919 57.181 56.287 -0.041 0.000 0.948 387 K CB -0.127 32.353 32.500 -0.032 0.000 0.728 387 K HN 0.401 nan 8.250 nan 0.000 0.448 388 A N 0.839 123.647 122.820 -0.020 0.000 2.209 388 A HA 0.100 4.418 4.320 -0.003 0.000 0.212 388 A C 0.994 178.593 177.584 0.024 0.000 1.158 388 A CA 0.732 52.774 52.037 0.008 0.000 0.742 388 A CB -0.470 18.535 19.000 0.008 0.000 0.790 388 A HN 0.365 nan 8.150 nan 0.000 0.472 389 G N -0.294 108.498 108.800 -0.013 0.000 2.444 389 G HA2 0.417 4.375 3.960 -0.003 0.000 0.268 389 G HA3 0.417 4.375 3.960 -0.003 0.000 0.268 389 G C -0.336 174.704 174.900 0.233 0.000 1.203 389 G CA -0.393 44.713 45.100 0.010 0.000 0.835 389 G HN 0.423 nan 8.290 nan 0.000 0.543 390 E N 1.654 122.031 120.200 0.295 0.000 2.052 390 E HA 0.275 4.623 4.350 -0.003 0.000 0.283 390 E C -0.224 176.564 176.600 0.314 0.000 1.071 390 E CA -0.612 55.949 56.400 0.268 0.000 0.851 390 E CB 0.675 30.485 29.700 0.183 0.000 1.066 390 E HN 0.153 nan 8.360 nan 0.000 0.396 391 V N 7.713 127.745 119.914 0.198 0.000 2.439 391 V HA 0.027 4.145 4.120 -0.003 0.000 0.271 391 V C 1.217 177.290 176.094 -0.034 0.000 1.040 391 V CA 0.129 62.392 62.300 -0.062 0.000 1.002 391 V CB 0.232 32.005 31.823 -0.084 0.000 1.000 391 V HN 0.739 nan 8.190 nan 0.000 0.477 392 I N 1.600 122.126 120.570 -0.073 0.000 3.968 392 I HA 0.695 4.863 4.170 -0.003 0.000 0.328 392 I C 0.775 176.863 176.117 -0.048 0.000 1.290 392 I CA 0.374 61.662 61.300 -0.020 0.000 1.163 392 I CB 0.361 38.366 38.000 0.008 0.000 1.024 392 I HN 0.659 nan 8.210 nan 0.000 0.413 393 G N 0.813 109.553 108.800 -0.099 0.000 2.340 393 G HA2 0.504 4.462 3.960 -0.003 0.000 0.299 393 G HA3 0.504 4.462 3.960 -0.003 0.000 0.299 393 G C -1.430 173.400 174.900 -0.116 0.000 1.291 393 G CA 0.067 45.118 45.100 -0.081 0.000 0.841 393 G HN 0.467 nan 8.290 nan 0.000 0.500 394 S N -1.763 113.888 115.700 -0.082 0.000 2.587 394 S HA 1.021 5.489 4.470 -0.003 0.000 0.269 394 S C -0.257 174.307 174.600 -0.059 0.000 1.154 394 S CA 0.588 58.737 58.200 -0.085 0.000 0.824 394 S CB 1.416 64.570 63.200 -0.076 0.000 1.118 394 S HN 2.655 nan 8.310 nan 0.000 0.462 395 A N 0.645 123.430 122.820 -0.058 0.000 3.865 395 A HA 0.784 5.102 4.320 -0.003 0.000 0.284 395 A C -1.646 175.908 177.584 -0.049 0.000 1.105 395 A CA -0.918 51.089 52.037 -0.050 0.000 0.605 395 A CB -0.043 18.926 19.000 -0.053 0.000 1.594 395 A HN 0.958 nan 8.150 nan 0.000 0.741 396 L N 1.655 122.847 121.223 -0.052 0.000 2.305 396 L HA 0.392 4.730 4.340 -0.003 0.000 0.281 396 L C -2.034 174.806 176.870 -0.050 0.000 1.085 396 L CA -1.651 53.158 54.840 -0.052 0.000 0.813 396 L CB 0.980 43.004 42.059 -0.059 0.000 1.157 396 L HN 0.417 nan 8.230 nan 0.000 0.436 397 P HA 0.093 nan 4.420 nan 0.000 0.252 397 P C 0.294 177.571 177.300 -0.039 0.000 1.727 397 P CA -0.112 62.966 63.100 -0.037 0.000 1.134 397 P CB 0.996 32.681 31.700 -0.025 0.000 1.876 398 A N 2.984 125.774 122.820 -0.049 0.000 1.845 398 A HA -0.047 4.271 4.320 -0.003 0.000 0.215 398 A C 1.282 178.840 177.584 -0.044 0.000 1.195 398 A CA 1.321 53.328 52.037 -0.051 0.000 0.616 398 A CB -0.625 18.340 19.000 -0.060 0.000 0.832 398 A HN 0.484 nan 8.150 nan 0.000 0.443 399 S N 0.153 115.816 115.700 -0.061 0.000 2.605 399 S HA 0.562 5.030 4.470 -0.003 0.000 0.308 399 S C -3.016 171.527 174.600 -0.095 0.000 1.113 399 S CA -1.982 56.176 58.200 -0.070 0.000 1.049 399 S CB 1.584 64.717 63.200 -0.112 0.000 1.001 399 S HN 0.157 nan 8.310 nan 0.000 0.480 400 P HA 0.522 nan 4.420 nan 0.000 0.271 400 P C 0.198 177.360 177.300 -0.230 0.000 1.233 400 P CA 0.312 63.417 63.100 0.008 0.000 0.789 400 P CB 0.501 32.326 31.700 0.208 0.000 0.951 401 G N -0.846 107.892 108.800 -0.102 0.000 2.333 401 G HA2 0.417 4.375 3.960 -0.003 0.000 0.330 401 G HA3 0.417 4.375 3.960 -0.003 0.000 0.330 401 G C -1.763 173.122 174.900 -0.024 0.000 1.465 401 G CA -0.212 44.782 45.100 -0.177 0.000 0.996 401 G HN 0.495 nan 8.290 nan 0.000 0.655 402 A N -0.186 122.656 122.820 0.037 0.000 2.249 402 A HA 0.984 5.302 4.320 -0.003 0.000 0.314 402 A C 0.490 178.098 177.584 0.039 0.000 1.290 402 A CA 0.606 52.722 52.037 0.132 0.000 0.893 402 A CB 0.730 19.904 19.000 0.289 0.000 1.165 402 A HN 2.422 nan 8.150 nan 0.000 0.530 403 A N 1.915 124.744 122.820 0.016 0.000 2.350 403 A HA 0.903 5.221 4.320 -0.003 0.000 0.324 403 A C -0.149 177.413 177.584 -0.036 0.000 1.118 403 A CA 0.006 52.023 52.037 -0.034 0.000 0.783 403 A CB 1.331 20.292 19.000 -0.064 0.000 1.236 403 A HN 2.347 nan 8.150 nan 0.000 0.457 404 A N 1.128 123.925 122.820 -0.039 0.000 2.465 404 A HA 0.885 5.203 4.320 -0.003 0.000 0.292 404 A C -0.195 177.440 177.584 0.085 0.000 1.041 404 A CA 0.185 52.213 52.037 -0.016 0.000 0.718 404 A CB 1.130 20.053 19.000 -0.130 0.000 1.266 404 A HN 2.535 nan 8.150 nan 0.000 0.403 405 G N 0.852 109.744 108.800 0.153 0.000 2.349 405 G HA2 0.477 4.435 3.960 -0.003 0.000 0.294 405 G HA3 0.477 4.435 3.960 -0.003 0.000 0.294 405 G C -1.490 173.326 174.900 -0.141 0.000 1.380 405 G CA -0.996 44.185 45.100 0.135 0.000 0.811 405 G HN 0.686 nan 8.290 nan 0.000 0.519 406 K N 0.295 120.423 120.400 -0.454 0.000 2.368 406 K HA 0.418 4.736 4.320 -0.003 0.000 0.282 406 K C 0.690 177.214 176.600 -0.126 0.000 1.035 406 K CA -0.387 55.600 56.287 -0.501 0.000 0.973 406 K CB 1.694 33.951 32.500 -0.405 0.000 0.957 406 K HN 0.667 nan 8.250 nan 0.000 0.474 407 V N 1.072 120.848 119.914 -0.230 0.000 2.649 407 V HA 0.357 4.475 4.120 -0.003 0.000 0.292 407 V C -0.806 174.990 176.094 -0.497 0.000 1.055 407 V CA -0.317 61.814 62.300 -0.283 0.000 1.023 407 V CB -0.151 31.492 31.823 -0.300 0.000 0.992 407 V HN 0.556 nan 8.190 nan 0.000 0.480 408 Y N 2.381 122.455 120.300 -0.376 0.000 2.562 408 Y HA 0.656 5.204 4.550 -0.003 0.000 0.345 408 Y C -0.116 175.549 175.900 -0.392 0.000 1.045 408 Y CA -0.972 57.001 58.100 -0.211 0.000 1.028 408 Y CB 2.158 40.569 38.460 -0.081 0.000 1.297 408 Y HN 0.522 nan 8.280 nan 0.000 0.463 409 F N -0.362 119.606 119.950 0.029 0.000 2.661 409 F HA 0.257 4.782 4.527 -0.004 0.000 0.306 409 F C 0.389 176.172 175.800 -0.027 0.000 1.094 409 F CA -0.235 57.735 58.000 -0.051 0.000 1.254 409 F CB 0.717 39.677 39.000 -0.066 0.000 1.040 409 F HN 0.350 nan 8.300 nan 0.000 0.562 410 T N -3.507 111.138 114.554 0.152 0.000 2.933 410 T HA 0.666 5.014 4.350 -0.003 0.000 0.305 410 T C 0.831 175.548 174.700 0.028 0.000 1.092 410 T CA -0.340 61.805 62.100 0.076 0.000 1.008 410 T CB 1.840 70.757 68.868 0.082 0.000 1.102 410 T HN -0.071 nan 8.240 nan 0.000 0.469 411 A N 1.748 124.564 122.820 -0.007 0.000 1.948 411 A HA -0.093 4.225 4.320 -0.003 0.000 0.220 411 A C 1.889 179.455 177.584 -0.030 0.000 1.177 411 A CA 1.936 53.956 52.037 -0.029 0.000 0.636 411 A CB -0.871 18.109 19.000 -0.033 0.000 0.815 411 A HN 0.897 nan 8.150 nan 0.000 0.449 412 D N -0.543 119.848 120.400 -0.015 0.000 2.123 412 D HA -0.095 4.543 4.640 -0.003 0.000 0.200 412 D C 1.949 178.230 176.300 -0.032 0.000 0.976 412 D CA 1.346 55.334 54.000 -0.019 0.000 0.831 412 D CB -0.369 40.428 40.800 -0.005 0.000 0.974 412 D HN 0.649 nan 8.370 nan 0.000 0.469 413 E N 0.705 120.903 120.200 -0.004 0.000 2.106 413 E HA -0.089 4.259 4.350 -0.003 0.000 0.192 413 E C 2.083 178.535 176.600 -0.246 0.000 0.984 413 E CA 0.806 57.199 56.400 -0.013 0.000 0.806 413 E CB 0.025 29.833 29.700 0.180 0.000 0.750 413 E HN 0.155 nan 8.360 nan 0.000 0.458 414 A N 1.844 124.540 122.820 -0.206 0.000 1.902 414 A HA -0.237 4.081 4.320 -0.003 0.000 0.217 414 A C 2.073 179.508 177.584 -0.248 0.000 1.181 414 A CA 1.648 53.486 52.037 -0.332 0.000 0.623 414 A CB -0.369 18.543 19.000 -0.145 0.000 0.818 414 A HN 0.073 nan 8.150 nan 0.000 0.443 415 K N -0.281 120.040 120.400 -0.132 0.000 2.002 415 K HA -0.101 4.217 4.320 -0.003 0.000 0.209 415 K C 2.192 178.758 176.600 -0.057 0.000 1.048 415 K CA 1.333 57.586 56.287 -0.058 0.000 0.930 415 K CB -0.388 32.089 32.500 -0.039 0.000 0.714 415 K HN 0.329 nan 8.250 nan 0.000 0.438 416 A N 1.084 123.848 122.820 -0.093 0.000 1.908 416 A HA -0.146 4.172 4.320 -0.003 0.000 0.218 416 A C 2.338 179.849 177.584 -0.122 0.000 1.181 416 A CA 2.086 54.072 52.037 -0.084 0.000 0.627 416 A CB -0.857 18.104 19.000 -0.066 0.000 0.818 416 A HN 0.534 nan 8.150 nan 0.000 0.445 417 A N -1.273 121.394 122.820 -0.254 0.000 1.898 417 A HA -0.147 4.171 4.320 -0.003 0.000 0.216 417 A C 2.040 179.529 177.584 -0.158 0.000 1.181 417 A CA 2.035 53.886 52.037 -0.310 0.000 0.620 417 A CB -0.856 17.613 19.000 -0.886 0.000 0.819 417 A HN 0.726 nan 8.150 nan 0.000 0.442 418 H N -0.491 118.447 119.070 -0.220 0.000 2.387 418 H HA -0.087 4.467 4.556 -0.003 0.000 0.299 418 H C 1.917 177.202 175.328 -0.072 0.000 1.090 418 H CA 1.918 57.894 56.048 -0.121 0.000 1.332 418 H CB -0.040 29.662 29.762 -0.099 0.000 1.386 418 H HN 0.462 nan 8.280 nan 0.000 0.516 419 E N 0.439 120.595 120.200 -0.072 0.000 2.204 419 E HA -0.097 4.251 4.350 -0.003 0.000 0.195 419 E C 1.625 178.162 176.600 -0.106 0.000 0.990 419 E CA 1.012 57.356 56.400 -0.094 0.000 0.821 419 E CB 0.062 29.736 29.700 -0.042 0.000 0.750 419 E HN 0.461 nan 8.360 nan 0.000 0.477 420 K N -1.599 118.746 120.400 -0.092 0.000 2.486 420 K HA 0.115 4.433 4.320 -0.003 0.000 0.194 420 K C 0.837 177.391 176.600 -0.076 0.000 1.033 420 K CA 0.588 56.836 56.287 -0.065 0.000 1.004 420 K CB 0.418 32.896 32.500 -0.037 0.000 0.798 420 K HN 0.235 nan 8.250 nan 0.000 0.495 421 G N 1.543 110.261 108.800 -0.138 0.000 2.154 421 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.186 421 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.186 421 G C -0.541 174.305 174.900 -0.091 0.000 1.000 421 G CA -0.521 44.494 45.100 -0.142 0.000 0.664 421 G HN 0.303 nan 8.290 nan 0.000 0.513 422 E N 0.062 120.224 120.200 -0.063 0.000 2.283 422 E HA 0.566 4.914 4.350 -0.003 0.000 0.271 422 E C 0.265 176.937 176.600 0.119 0.000 1.031 422 E CA -0.868 55.558 56.400 0.042 0.000 0.868 422 E CB 0.956 30.683 29.700 0.045 0.000 1.094 422 E HN 0.303 nan 8.360 nan 0.000 0.401 423 R N 1.014 121.609 120.500 0.160 0.000 2.267 423 R HA 0.237 4.575 4.340 -0.003 0.000 0.319 423 R C -0.703 175.657 176.300 0.099 0.000 1.067 423 R CA -0.255 55.950 56.100 0.174 0.000 0.936 423 R CB 0.493 30.905 30.300 0.187 0.000 1.006 423 R HN 0.175 nan 8.270 nan 0.000 0.452 424 V N 4.688 124.636 119.914 0.058 0.000 2.581 424 V HA 0.450 4.568 4.120 -0.003 0.000 0.303 424 V C -0.048 176.017 176.094 -0.049 0.000 1.041 424 V CA -0.843 61.453 62.300 -0.006 0.000 0.907 424 V CB 1.973 33.742 31.823 -0.090 0.000 0.994 424 V HN 0.589 nan 8.190 nan 0.000 0.442 425 I N 4.834 125.382 120.570 -0.036 0.000 2.439 425 I HA 0.331 4.499 4.170 -0.003 0.000 0.283 425 I C -0.591 175.436 176.117 -0.150 0.000 1.023 425 I CA -0.583 60.655 61.300 -0.103 0.000 1.100 425 I CB 1.561 39.495 38.000 -0.111 0.000 1.238 425 I HN 0.458 nan 8.210 nan 0.000 0.445 426 L N 8.708 129.830 121.223 -0.167 0.000 2.278 426 L HA 0.409 4.747 4.340 -0.003 0.000 0.287 426 L C -0.509 176.192 176.870 -0.281 0.000 1.072 426 L CA 0.045 54.767 54.840 -0.196 0.000 0.819 426 L CB 0.976 42.950 42.059 -0.143 0.000 1.176 426 L HN 0.297 nan 8.230 nan 0.000 0.435 427 V N 6.603 126.252 119.914 -0.442 0.000 2.357 427 V HA 0.681 4.799 4.120 -0.003 0.000 0.284 427 V C 0.210 176.078 176.094 -0.377 0.000 1.018 427 V CA -0.682 61.304 62.300 -0.524 0.000 0.841 427 V CB 1.054 32.297 31.823 -0.966 0.000 0.991 427 V HN 0.731 nan 8.190 nan 0.000 0.437 428 R N 2.350 122.715 120.500 -0.224 0.000 2.922 428 R HA 0.491 4.829 4.340 -0.003 0.000 0.256 428 R C 0.547 176.793 176.300 -0.089 0.000 1.138 428 R CA -0.886 55.144 56.100 -0.117 0.000 0.995 428 R CB 1.660 31.902 30.300 -0.097 0.000 1.226 428 R HN 0.524 nan 8.270 nan 0.000 0.481 429 L N 0.897 122.089 121.223 -0.051 0.000 2.044 429 L HA -0.047 4.291 4.340 -0.003 0.000 0.205 429 L C 0.417 177.251 176.870 -0.060 0.000 1.075 429 L CA 1.923 56.737 54.840 -0.043 0.000 0.747 429 L CB 0.017 42.059 42.059 -0.028 0.000 0.903 429 L HN 0.781 nan 8.230 nan 0.000 0.435 430 E N -2.894 117.262 120.200 -0.074 0.000 2.429 430 E HA 0.410 4.758 4.350 -0.003 0.000 0.280 430 E C -0.897 175.634 176.600 -0.115 0.000 1.068 430 E CA -0.383 55.966 56.400 -0.086 0.000 0.837 430 E CB 0.754 30.403 29.700 -0.085 0.000 1.357 430 E HN 0.037 nan 8.360 nan 0.000 0.455 431 T N -1.204 113.268 114.554 -0.135 0.000 2.923 431 T HA 0.777 5.125 4.350 -0.003 0.000 0.281 431 T C 0.065 174.475 174.700 -0.483 0.000 0.995 431 T CA -0.123 61.844 62.100 -0.223 0.000 0.985 431 T CB 1.269 70.059 68.868 -0.131 0.000 1.114 431 T HN 0.806 nan 8.240 nan 0.000 0.548 432 S N -0.536 114.793 115.700 -0.619 0.000 2.651 432 S HA 0.561 5.029 4.470 -0.003 0.000 0.279 432 S C -2.578 171.629 174.600 -0.655 0.000 1.148 432 S CA -1.450 56.263 58.200 -0.812 0.000 0.837 432 S CB 1.218 64.203 63.200 -0.360 0.000 1.138 432 S HN 0.436 nan 8.310 nan 0.000 0.478 433 P HA -0.035 nan 4.420 nan 0.000 0.221 433 P C 0.669 177.968 177.300 -0.002 0.000 1.145 433 P CA 1.156 64.281 63.100 0.041 0.000 0.795 433 P CB -0.032 31.762 31.700 0.158 0.000 0.775 434 E N -0.828 119.342 120.200 -0.049 0.000 2.347 434 E HA -0.111 4.237 4.350 -0.003 0.000 0.196 434 E C 1.042 177.619 176.600 -0.038 0.000 1.008 434 E CA 0.848 57.230 56.400 -0.029 0.000 0.852 434 E CB -0.488 29.194 29.700 -0.031 0.000 0.783 434 E HN 0.293 nan 8.360 nan 0.000 0.505 435 D N -0.405 119.957 120.400 -0.063 0.000 2.369 435 D HA 0.026 4.664 4.640 -0.003 0.000 0.211 435 D C 1.457 177.741 176.300 -0.027 0.000 1.077 435 D CA -0.086 53.882 54.000 -0.054 0.000 0.842 435 D CB 0.226 40.977 40.800 -0.083 0.000 0.947 435 D HN 0.111 nan 8.370 nan 0.000 0.509 436 I N 1.858 122.427 120.570 -0.001 0.000 2.185 436 I HA -0.304 3.864 4.170 -0.003 0.000 0.246 436 I C 1.833 177.961 176.117 0.019 0.000 1.088 436 I CA 1.751 63.067 61.300 0.027 0.000 1.347 436 I CB 0.030 38.052 38.000 0.036 0.000 1.041 436 I HN -0.046 nan 8.210 nan 0.000 0.415 437 E N -0.125 120.072 120.200 -0.005 0.000 2.077 437 E HA -0.156 4.192 4.350 -0.003 0.000 0.193 437 E C 2.236 178.832 176.600 -0.007 0.000 0.989 437 E CA 1.078 57.467 56.400 -0.018 0.000 0.800 437 E CB -0.573 29.107 29.700 -0.033 0.000 0.746 437 E HN 0.686 nan 8.360 nan 0.000 0.452 438 G N 1.107 109.894 108.800 -0.022 0.000 2.402 438 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.216 438 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.216 438 G C 1.581 176.448 174.900 -0.054 0.000 1.162 438 G CA 0.647 45.721 45.100 -0.045 0.000 0.777 438 G HN 0.065 nan 8.290 nan 0.000 0.539 439 M N -0.215 119.364 119.600 -0.034 0.000 2.080 439 M HA -0.125 4.353 4.480 -0.003 0.000 0.260 439 M C 2.423 178.690 176.300 -0.055 0.000 1.068 439 M CA 1.570 56.841 55.300 -0.048 0.000 1.109 439 M CB -0.659 31.931 32.600 -0.017 0.000 1.342 439 M HN 0.272 nan 8.290 nan 0.000 0.405 440 H N 0.341 119.352 119.070 -0.099 0.000 2.387 440 H HA -0.095 4.459 4.556 -0.003 0.000 0.299 440 H C 1.798 177.026 175.328 -0.167 0.000 1.099 440 H CA 1.996 57.982 56.048 -0.103 0.000 1.315 440 H CB 0.140 29.863 29.762 -0.064 0.000 1.380 440 H HN 0.382 nan 8.280 nan 0.000 0.513 441 A N 0.597 123.403 122.820 -0.023 0.000 2.208 441 A HA 0.375 4.693 4.320 -0.003 0.000 0.209 441 A C 1.363 178.586 177.584 -0.603 0.000 1.161 441 A CA 0.502 52.368 52.037 -0.286 0.000 0.782 441 A CB -0.355 18.574 19.000 -0.118 0.000 0.816 441 A HN 0.469 nan 8.150 nan 0.000 0.477 442 A N -0.195 122.423 122.820 -0.337 0.000 2.316 442 A HA 0.518 4.836 4.320 -0.003 0.000 0.284 442 A C 0.822 178.245 177.584 -0.268 0.000 1.115 442 A CA -0.389 51.478 52.037 -0.283 0.000 0.812 442 A CB 0.412 19.300 19.000 -0.186 0.000 1.064 442 A HN 0.227 nan 8.150 nan 0.000 0.489 443 E N 0.812 120.895 120.200 -0.196 0.000 2.216 443 E HA 0.105 4.453 4.350 -0.003 0.000 0.192 443 E C 0.947 177.458 176.600 -0.148 0.000 0.988 443 E CA 1.191 57.504 56.400 -0.145 0.000 0.834 443 E CB 0.098 29.755 29.700 -0.072 0.000 0.772 443 E HN 0.794 nan 8.360 nan 0.000 0.479 444 G N -0.160 108.554 108.800 -0.144 0.000 2.645 444 G HA2 0.648 4.606 3.960 -0.003 0.000 0.292 444 G HA3 0.648 4.606 3.960 -0.003 0.000 0.292 444 G C -1.393 173.422 174.900 -0.142 0.000 1.415 444 G CA -0.757 44.258 45.100 -0.142 0.000 0.785 444 G HN -0.008 nan 8.290 nan 0.000 0.483 445 I N 0.156 120.644 120.570 -0.135 0.000 2.610 445 I HA 0.367 4.535 4.170 -0.003 0.000 0.289 445 I C -1.519 174.519 176.117 -0.132 0.000 1.163 445 I CA -0.656 60.562 61.300 -0.136 0.000 1.044 445 I CB 2.315 40.245 38.000 -0.117 0.000 1.251 445 I HN 0.362 nan 8.210 nan 0.000 0.424 446 L N 6.856 127.983 121.223 -0.160 0.000 2.333 446 L HA 0.721 5.059 4.340 -0.003 0.000 0.280 446 L C -0.083 176.691 176.870 -0.160 0.000 1.004 446 L CA 0.160 54.907 54.840 -0.155 0.000 0.820 446 L CB 1.755 43.705 42.059 -0.182 0.000 1.247 446 L HN 0.737 nan 8.230 nan 0.000 0.416 447 T N 1.226 115.710 114.554 -0.117 0.000 2.908 447 T HA 0.548 4.896 4.350 -0.003 0.000 0.290 447 T C 0.789 175.444 174.700 -0.076 0.000 1.034 447 T CA -0.544 61.496 62.100 -0.100 0.000 1.010 447 T CB 1.567 70.386 68.868 -0.081 0.000 1.068 447 T HN 0.247 nan 8.240 nan 0.000 0.481 448 V N 0.851 120.728 119.914 -0.061 0.000 2.446 448 V HA 0.167 4.285 4.120 -0.003 0.000 0.244 448 V C 1.272 177.345 176.094 -0.035 0.000 1.039 448 V CA 1.124 63.403 62.300 -0.035 0.000 1.045 448 V CB -0.833 30.980 31.823 -0.017 0.000 0.681 448 V HN 0.972 nan 8.190 nan 0.000 0.459 449 R N -0.101 120.374 120.500 -0.042 0.000 2.750 449 R HA 0.704 5.042 4.340 -0.003 0.000 0.281 449 R C -0.365 175.905 176.300 -0.052 0.000 0.972 449 R CA -0.037 56.037 56.100 -0.043 0.000 0.912 449 R CB 2.026 32.304 30.300 -0.037 0.000 1.187 449 R HN 0.324 nan 8.270 nan 0.000 0.464 450 G N 0.258 109.025 108.800 -0.055 0.000 2.764 450 G HA2 0.277 4.235 3.960 -0.003 0.000 0.678 450 G HA3 0.277 4.235 3.960 -0.003 0.000 0.678 450 G C -0.501 174.358 174.900 -0.069 0.000 1.341 450 G CA -0.539 44.525 45.100 -0.060 0.000 0.836 450 G HN 0.875 nan 8.290 nan 0.000 0.632 451 G N -0.020 108.731 108.800 -0.082 0.000 2.695 451 G HA2 0.563 4.521 3.960 -0.003 0.000 0.213 451 G HA3 0.563 4.521 3.960 -0.003 0.000 0.213 451 G C 1.497 176.344 174.900 -0.089 0.000 1.406 451 G CA 0.053 45.094 45.100 -0.098 0.000 1.049 451 G HN 0.634 nan 8.290 nan 0.000 0.573 452 M N 0.634 120.173 119.600 -0.102 0.000 2.229 452 M HA -0.051 4.427 4.480 -0.003 0.000 0.264 452 M C 2.501 178.758 176.300 -0.072 0.000 1.063 452 M CA 1.831 57.081 55.300 -0.083 0.000 1.114 452 M CB -1.058 31.488 32.600 -0.089 0.000 1.387 452 M HN 0.608 nan 8.290 nan 0.000 0.420 453 T N -2.178 112.325 114.554 -0.084 0.000 3.107 453 T HA 0.087 4.435 4.350 -0.003 0.000 0.249 453 T C 0.997 175.660 174.700 -0.061 0.000 1.096 453 T CA 0.143 62.204 62.100 -0.065 0.000 1.012 453 T CB -0.507 68.320 68.868 -0.068 0.000 0.977 453 T HN 0.384 nan 8.240 nan 0.000 0.527 454 S N 1.034 116.698 115.700 -0.061 0.000 2.572 454 S HA -0.018 4.450 4.470 -0.003 0.000 0.267 454 S C 1.146 175.732 174.600 -0.023 0.000 1.361 454 S CA -0.400 57.776 58.200 -0.041 0.000 1.009 454 S CB 0.217 63.392 63.200 -0.042 0.000 0.888 454 S HN 0.398 nan 8.310 nan 0.000 0.553 455 H N 1.761 120.774 119.070 -0.094 0.000 2.422 455 H HA -0.120 4.434 4.556 -0.003 0.000 0.298 455 H C 2.111 177.392 175.328 -0.078 0.000 1.098 455 H CA 2.063 58.053 56.048 -0.096 0.000 1.315 455 H CB -0.676 29.008 29.762 -0.130 0.000 1.382 455 H HN 0.802 nan 8.280 nan 0.000 0.523 456 A N 0.581 123.461 122.820 0.100 0.000 1.897 456 A HA 0.067 4.385 4.320 -0.003 0.000 0.215 456 A C 2.727 180.295 177.584 -0.026 0.000 1.181 456 A CA 1.343 53.402 52.037 0.038 0.000 0.620 456 A CB -0.840 18.153 19.000 -0.012 0.000 0.821 456 A HN 0.501 nan 8.150 nan 0.000 0.443 457 A N 0.084 122.879 122.820 -0.042 0.000 1.898 457 A HA 0.016 4.334 4.320 -0.003 0.000 0.216 457 A C 2.340 179.891 177.584 -0.056 0.000 1.181 457 A CA 2.223 54.228 52.037 -0.054 0.000 0.620 457 A CB -1.203 17.764 19.000 -0.054 0.000 0.819 457 A HN 1.084 nan 8.150 nan 0.000 0.442 458 V N -2.560 117.312 119.914 -0.070 0.000 2.323 458 V HA -0.131 3.987 4.120 -0.003 0.000 0.244 458 V C 2.170 178.220 176.094 -0.073 0.000 1.041 458 V CA 1.979 64.238 62.300 -0.069 0.000 1.025 458 V CB -1.383 30.385 31.823 -0.091 0.000 0.656 458 V HN 0.175 nan 8.190 nan 0.000 0.451 459 V N 1.216 121.060 119.914 -0.117 0.000 2.407 459 V HA -0.150 3.968 4.120 -0.003 0.000 0.248 459 V C 3.087 179.148 176.094 -0.055 0.000 1.055 459 V CA 2.181 64.429 62.300 -0.087 0.000 1.049 459 V CB -1.230 30.545 31.823 -0.080 0.000 0.662 459 V HN 0.675 nan 8.190 nan 0.000 0.455 460 A N -0.306 122.475 122.820 -0.065 0.000 1.968 460 A HA -0.164 4.154 4.320 -0.003 0.000 0.217 460 A C 2.326 179.849 177.584 -0.101 0.000 1.169 460 A CA 1.506 53.486 52.037 -0.095 0.000 0.638 460 A CB -0.396 18.541 19.000 -0.104 0.000 0.812 460 A HN 0.451 nan 8.150 nan 0.000 0.446 461 R N -0.480 119.987 120.500 -0.054 0.000 2.092 461 R HA -0.021 4.317 4.340 -0.003 0.000 0.231 461 R C 2.313 178.639 176.300 0.044 0.000 1.119 461 R CA 1.327 57.422 56.100 -0.008 0.000 0.970 461 R CB -0.698 29.617 30.300 0.026 0.000 0.864 461 R HN 0.499 nan 8.270 nan 0.000 0.440 462 G N 0.159 108.983 108.800 0.039 0.000 2.421 462 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.216 462 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.216 462 G C 1.265 176.222 174.900 0.095 0.000 1.171 462 G CA 0.888 46.038 45.100 0.082 0.000 0.775 462 G HN 0.241 nan 8.290 nan 0.000 0.543 463 M N 0.543 120.143 119.600 0.001 0.000 2.595 463 M HA 0.221 4.699 4.480 -0.003 0.000 0.248 463 M C 1.660 177.852 176.300 -0.181 0.000 1.119 463 M CA 0.590 55.860 55.300 -0.050 0.000 1.079 463 M CB 0.243 32.776 32.600 -0.112 0.000 1.472 463 M HN 0.293 nan 8.290 nan 0.000 0.501 464 G N 2.038 110.647 108.800 -0.318 0.000 2.295 464 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.287 464 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.287 464 G C -0.202 174.344 174.900 -0.590 0.000 1.055 464 G CA 0.335 44.931 45.100 -0.840 0.000 0.922 464 G HN 0.423 nan 8.290 nan 0.000 0.503 465 T N -0.352 113.961 114.554 -0.401 0.000 2.823 465 T HA 0.465 4.813 4.350 -0.003 0.000 0.279 465 T C 0.692 175.192 174.700 -0.332 0.000 0.998 465 T CA -0.071 61.818 62.100 -0.352 0.000 0.994 465 T CB 1.981 70.693 68.868 -0.259 0.000 0.960 465 T HN 0.762 nan 8.240 nan 0.000 0.448 466 C N 2.559 121.662 119.300 -0.330 0.000 2.665 466 C HA 0.464 4.922 4.460 -0.003 0.000 0.416 466 C C 0.655 175.541 174.990 -0.175 0.000 1.305 466 C CA -0.229 58.637 59.018 -0.254 0.000 1.903 466 C CB -1.192 26.432 27.740 -0.193 0.000 2.704 466 C HN 1.064 nan 8.230 nan 0.000 0.629 467 C N 6.169 125.388 119.300 -0.135 0.000 2.924 467 C HA 0.567 5.025 4.460 -0.003 0.000 0.400 467 C C -1.037 173.902 174.990 -0.085 0.000 1.032 467 C CA -0.530 58.424 59.018 -0.107 0.000 1.236 467 C CB 0.052 27.732 27.740 -0.101 0.000 1.660 467 C HN 0.817 nan 8.230 nan 0.000 0.510 468 V N 6.652 126.516 119.914 -0.082 0.000 2.334 468 V HA 0.696 4.814 4.120 -0.003 0.000 0.281 468 V C 0.397 176.446 176.094 -0.075 0.000 1.016 468 V CA 0.048 62.305 62.300 -0.072 0.000 0.832 468 V CB 1.540 33.321 31.823 -0.070 0.000 0.999 468 V HN 1.006 nan 8.190 nan 0.000 0.439 469 S N 2.731 118.390 115.700 -0.068 0.000 2.648 469 S HA 0.820 5.288 4.470 -0.003 0.000 0.305 469 S C 0.692 175.256 174.600 -0.061 0.000 1.094 469 S CA -0.015 58.145 58.200 -0.067 0.000 0.983 469 S CB 1.849 65.010 63.200 -0.065 0.000 1.101 469 S HN 2.157 nan 8.310 nan 0.000 0.514 470 G N -0.306 108.459 108.800 -0.058 0.000 2.198 470 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.257 470 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.257 470 G C 0.242 175.117 174.900 -0.043 0.000 1.042 470 G CA -0.076 44.993 45.100 -0.051 0.000 0.791 470 G HN 1.326 nan 8.290 nan 0.000 0.502 471 C N 1.739 121.015 119.300 -0.040 0.000 2.210 471 C HA 0.587 5.045 4.460 -0.003 0.000 0.377 471 C C 2.182 177.165 174.990 -0.011 0.000 1.037 471 C CA 0.406 59.407 59.018 -0.029 0.000 1.405 471 C CB -1.220 26.501 27.740 -0.032 0.000 1.802 471 C HN 0.814 nan 8.230 nan 0.000 0.495 472 G N 2.797 111.591 108.800 -0.010 0.000 2.470 472 G HA2 -0.151 3.807 3.960 -0.003 0.000 0.220 472 G HA3 -0.151 3.807 3.960 -0.003 0.000 0.220 472 G C 1.315 176.224 174.900 0.016 0.000 1.121 472 G CA 0.578 45.679 45.100 0.001 0.000 0.766 472 G HN 0.725 nan 8.290 nan 0.000 0.553 473 E N 0.010 120.220 120.200 0.016 0.000 2.265 473 E HA 0.023 4.371 4.350 -0.003 0.000 0.196 473 E C 1.114 177.744 176.600 0.049 0.000 0.996 473 E CA 0.054 56.469 56.400 0.026 0.000 0.832 473 E CB -0.067 29.644 29.700 0.017 0.000 0.756 473 E HN 0.478 nan 8.360 nan 0.000 0.491 474 I N 1.128 121.737 120.570 0.065 0.000 2.696 474 I HA 0.021 4.189 4.170 -0.003 0.000 0.284 474 I C 0.601 176.791 176.117 0.122 0.000 1.129 474 I CA 0.067 61.443 61.300 0.127 0.000 1.410 474 I CB 0.611 38.704 38.000 0.154 0.000 1.399 474 I HN -0.203 nan 8.210 nan 0.000 0.579 475 K N 6.914 127.416 120.400 0.170 0.000 2.752 475 K HA 0.460 4.777 4.320 -0.003 0.000 0.199 475 K C -0.745 175.967 176.600 0.187 0.000 1.069 475 K CA -0.420 55.948 56.287 0.135 0.000 1.033 475 K CB 0.926 33.480 32.500 0.089 0.000 1.229 475 K HN 0.486 nan 8.250 nan 0.000 0.572 476 I N 1.772 122.454 120.570 0.187 0.000 2.648 476 I HA -0.002 4.166 4.170 -0.003 0.000 0.284 476 I C 0.850 177.026 176.117 0.098 0.000 1.153 476 I CA 0.060 61.492 61.300 0.220 0.000 1.426 476 I CB 0.357 38.468 38.000 0.186 0.000 1.381 476 I HN 0.249 nan 8.210 nan 0.000 0.571 477 N N 6.141 124.861 118.700 0.033 0.000 2.816 477 N HA 0.122 4.860 4.740 -0.003 0.000 0.236 477 N C 0.683 176.075 175.510 -0.197 0.000 1.076 477 N CA -0.199 52.810 53.050 -0.067 0.000 0.902 477 N CB 0.659 39.108 38.487 -0.063 0.000 1.149 477 N HN 0.529 nan 8.380 nan 0.000 0.506 478 E N 0.972 121.091 120.200 -0.135 0.000 2.070 478 E HA -0.275 4.072 4.350 -0.003 0.000 0.197 478 E C 0.857 177.349 176.600 -0.179 0.000 1.004 478 E CA 1.420 57.726 56.400 -0.156 0.000 0.805 478 E CB 0.232 29.898 29.700 -0.057 0.000 0.744 478 E HN 0.573 nan 8.360 nan 0.000 0.451 479 E N 0.772 120.899 120.200 -0.121 0.000 2.051 479 E HA -0.155 4.193 4.350 -0.003 0.000 0.192 479 E C 1.824 178.347 176.600 -0.129 0.000 0.991 479 E CA 1.492 57.833 56.400 -0.098 0.000 0.799 479 E CB -0.185 29.476 29.700 -0.065 0.000 0.748 479 E HN 0.237 nan 8.360 nan 0.000 0.449 480 A N 0.170 122.898 122.820 -0.153 0.000 2.119 480 A HA -0.010 4.308 4.320 -0.003 0.000 0.216 480 A C 0.363 177.794 177.584 -0.255 0.000 1.152 480 A CA 0.944 52.886 52.037 -0.159 0.000 0.708 480 A CB -0.310 18.616 19.000 -0.124 0.000 0.805 480 A HN 0.290 nan 8.150 nan 0.000 0.460 481 K N 0.065 120.187 120.400 -0.463 0.000 3.239 481 K HA -0.134 4.184 4.320 -0.003 0.000 0.270 481 K C -0.277 175.765 176.600 -0.929 0.000 1.049 481 K CA 0.802 56.526 56.287 -0.939 0.000 0.769 481 K CB -2.556 29.683 32.500 -0.435 0.000 1.305 481 K HN 0.826 nan 8.250 nan 0.000 0.469 482 T N -1.712 112.437 114.554 -0.675 0.000 2.894 482 T HA 0.781 5.129 4.350 -0.003 0.000 0.309 482 T C -0.889 173.979 174.700 0.281 0.000 1.208 482 T CA -1.043 61.053 62.100 -0.006 0.000 1.016 482 T CB 1.821 70.671 68.868 -0.030 0.000 1.192 482 T HN 0.421 nan 8.240 nan 0.000 0.491 483 F N -0.992 119.086 119.950 0.213 0.000 2.596 483 F HA 0.776 5.301 4.527 -0.003 0.000 0.311 483 F C -0.895 175.012 175.800 0.179 0.000 1.116 483 F CA -1.286 56.835 58.000 0.203 0.000 0.957 483 F CB 1.279 40.454 39.000 0.292 0.000 1.250 483 F HN 0.701 nan 8.300 nan 0.000 0.444 484 E N 3.130 123.372 120.200 0.071 0.000 2.249 484 E HA 0.629 4.977 4.350 -0.003 0.000 0.280 484 E C -1.625 174.989 176.600 0.023 0.000 1.016 484 E CA -0.955 55.444 56.400 -0.003 0.000 0.830 484 E CB 2.309 32.027 29.700 0.031 0.000 1.081 484 E HN 0.669 nan 8.360 nan 0.000 0.395 485 L N 2.053 123.284 121.223 0.014 0.000 2.565 485 L HA 0.417 4.755 4.340 -0.003 0.000 0.261 485 L C 0.274 177.190 176.870 0.077 0.000 0.932 485 L CA 0.512 55.371 54.840 0.033 0.000 0.878 485 L CB 1.497 43.545 42.059 -0.019 0.000 1.333 485 L HN 0.705 nan 8.230 nan 0.000 0.409 486 G N 3.617 112.452 108.800 0.059 0.000 2.634 486 G HA2 -0.368 3.590 3.960 -0.003 0.000 0.318 486 G HA3 -0.368 3.590 3.960 -0.003 0.000 0.318 486 G C 0.823 175.773 174.900 0.085 0.000 1.207 486 G CA 0.603 45.742 45.100 0.064 0.000 0.987 486 G HN 1.671 nan 8.290 nan 0.000 0.547 487 G N -0.760 108.106 108.800 0.110 0.000 2.511 487 G HA2 0.358 4.316 3.960 -0.003 0.000 0.217 487 G HA3 0.358 4.316 3.960 -0.003 0.000 0.217 487 G C 0.670 175.650 174.900 0.134 0.000 1.133 487 G CA 1.649 46.804 45.100 0.092 0.000 0.792 487 G HN 1.119 nan 8.290 nan 0.000 0.539 488 H N -1.923 117.159 119.070 0.019 0.000 2.967 488 H HA 0.246 4.800 4.556 -0.003 0.000 0.318 488 H C -0.897 174.377 175.328 -0.091 0.000 1.375 488 H CA -0.868 55.119 56.048 -0.101 0.000 1.132 488 H CB 1.294 30.893 29.762 -0.271 0.000 1.848 488 H HN 0.069 nan 8.280 nan 0.000 0.524 489 T N 2.028 116.276 114.554 -0.510 0.000 2.910 489 T HA 0.327 4.675 4.350 -0.003 0.000 0.293 489 T C -0.709 173.573 174.700 -0.696 0.000 1.015 489 T CA -0.177 61.648 62.100 -0.459 0.000 1.094 489 T CB 0.317 68.962 68.868 -0.372 0.000 0.968 489 T HN 0.152 nan 8.240 nan 0.000 0.521 490 F N 0.802 120.440 119.950 -0.521 0.000 2.520 490 F HA 0.658 5.183 4.527 -0.004 0.000 0.322 490 F C 0.388 176.173 175.800 -0.025 0.000 1.103 490 F CA -1.082 56.712 58.000 -0.344 0.000 0.926 490 F CB 1.546 40.223 39.000 -0.538 0.000 1.154 490 F HN 0.726 nan 8.300 nan 0.000 0.453 491 A N 1.522 124.446 122.820 0.172 0.000 2.299 491 A HA 0.496 4.814 4.320 -0.003 0.000 0.332 491 A C -0.309 177.411 177.584 0.226 0.000 1.131 491 A CA -0.740 51.403 52.037 0.178 0.000 0.844 491 A CB 0.650 19.667 19.000 0.029 0.000 1.251 491 A HN 0.780 nan 8.150 nan 0.000 0.486 492 E N -0.245 120.073 120.200 0.196 0.000 2.558 492 E HA 0.280 4.628 4.350 -0.003 0.000 0.255 492 E C 1.186 177.645 176.600 -0.236 0.000 0.968 492 E CA 1.299 57.680 56.400 -0.031 0.000 0.939 492 E CB -0.057 29.598 29.700 -0.075 0.000 0.921 492 E HN 1.469 nan 8.360 nan 0.000 0.477 493 G N 4.365 112.886 108.800 -0.465 0.000 2.279 493 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.223 493 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.223 493 G C -0.195 174.590 174.900 -0.191 0.000 1.015 493 G CA 0.033 44.941 45.100 -0.319 0.000 0.621 493 G HN 0.662 nan 8.290 nan 0.000 0.506 494 D N 0.998 121.380 120.400 -0.030 0.000 2.458 494 D HA 0.372 5.010 4.640 -0.003 0.000 0.243 494 D C 0.345 176.713 176.300 0.113 0.000 1.146 494 D CA 0.291 54.370 54.000 0.131 0.000 0.877 494 D CB 0.276 41.239 40.800 0.271 0.000 1.176 494 D HN 0.308 nan 8.370 nan 0.000 0.461 495 Y N 1.576 121.953 120.300 0.128 0.000 2.336 495 Y HA 0.288 4.836 4.550 -0.004 0.000 0.331 495 Y C 1.071 177.028 175.900 0.094 0.000 1.211 495 Y CA -0.277 57.875 58.100 0.087 0.000 1.346 495 Y CB 0.664 39.156 38.460 0.055 0.000 1.271 495 Y HN 0.233 nan 8.280 nan 0.000 0.538 496 I N -1.954 118.729 120.570 0.187 0.000 3.279 496 I HA 0.820 4.988 4.170 -0.003 0.000 0.315 496 I C -1.195 174.967 176.117 0.075 0.000 1.187 496 I CA -1.017 60.336 61.300 0.088 0.000 0.953 496 I CB 2.640 40.620 38.000 -0.033 0.000 1.279 496 I HN 0.364 nan 8.210 nan 0.000 0.465 497 S N 2.552 118.301 115.700 0.082 0.000 2.536 497 S HA 0.773 5.241 4.470 -0.003 0.000 0.287 497 S C -0.735 173.956 174.600 0.150 0.000 1.101 497 S CA -0.696 57.555 58.200 0.085 0.000 0.950 497 S CB 1.890 65.124 63.200 0.056 0.000 1.056 497 S HN 0.509 nan 8.310 nan 0.000 0.481 498 L N 1.768 123.059 121.223 0.114 0.000 2.354 498 L HA 0.639 4.977 4.340 -0.003 0.000 0.269 498 L C -0.945 176.026 176.870 0.169 0.000 1.005 498 L CA -0.795 54.102 54.840 0.096 0.000 0.819 498 L CB 1.613 43.671 42.059 -0.001 0.000 1.311 498 L HN 0.520 nan 8.230 nan 0.000 0.423 499 D N 0.803 121.295 120.400 0.152 0.000 2.454 499 D HA 0.284 4.922 4.640 -0.003 0.000 0.247 499 D C 0.844 177.175 176.300 0.052 0.000 1.129 499 D CA -0.333 53.758 54.000 0.151 0.000 0.877 499 D CB 1.954 42.891 40.800 0.228 0.000 1.082 499 D HN 0.644 nan 8.370 nan 0.000 0.537 500 G N 1.646 110.454 108.800 0.014 0.000 2.679 500 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.212 500 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.212 500 G C 1.182 176.079 174.900 -0.004 0.000 1.137 500 G CA 0.290 45.374 45.100 -0.026 0.000 0.787 500 G HN 0.441 nan 8.290 nan 0.000 0.534 501 S N -0.282 115.431 115.700 0.023 0.000 2.456 501 S HA -0.017 4.451 4.470 -0.003 0.000 0.224 501 S C 2.422 177.030 174.600 0.013 0.000 1.035 501 S CA 1.297 59.513 58.200 0.026 0.000 0.940 501 S CB 0.196 63.419 63.200 0.038 0.000 0.799 501 S HN 0.606 nan 8.310 nan 0.000 0.508 502 T N -2.435 112.130 114.554 0.017 0.000 2.969 502 T HA 0.466 4.814 4.350 -0.003 0.000 0.250 502 T C 1.499 176.192 174.700 -0.012 0.000 1.021 502 T CA 0.752 62.857 62.100 0.007 0.000 1.003 502 T CB 0.418 69.302 68.868 0.027 0.000 1.040 502 T HN 0.505 nan 8.240 nan 0.000 0.492 503 G N 1.792 110.584 108.800 -0.014 0.000 2.157 503 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.239 503 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.239 503 G C -0.082 174.777 174.900 -0.067 0.000 0.982 503 G CA -0.050 45.027 45.100 -0.039 0.000 0.650 503 G HN 0.654 nan 8.290 nan 0.000 0.527 504 K N 0.030 120.387 120.400 -0.071 0.000 2.270 504 K HA 0.614 4.932 4.320 -0.003 0.000 0.276 504 K C 0.220 176.650 176.600 -0.284 0.000 1.023 504 K CA -0.040 56.118 56.287 -0.215 0.000 0.955 504 K CB 1.062 33.422 32.500 -0.234 0.000 0.975 504 K HN 0.288 nan 8.250 nan 0.000 0.471 505 I N 3.077 123.392 120.570 -0.425 0.000 2.436 505 I HA 0.261 4.429 4.170 -0.003 0.000 0.289 505 I C -1.096 174.764 176.117 -0.428 0.000 1.010 505 I CA -0.935 60.187 61.300 -0.297 0.000 1.098 505 I CB 0.961 38.858 38.000 -0.171 0.000 1.266 505 I HN 0.438 nan 8.210 nan 0.000 0.434 506 Y N 4.313 124.620 120.300 0.011 0.000 2.376 506 Y HA 0.350 4.898 4.550 -0.003 0.000 0.340 506 Y C 0.168 176.080 175.900 0.019 0.000 0.965 506 Y CA -0.966 57.156 58.100 0.036 0.000 1.078 506 Y CB 1.749 40.259 38.460 0.084 0.000 1.193 506 Y HN 0.404 nan 8.280 nan 0.000 0.452 507 K N 2.595 123.125 120.400 0.216 0.000 2.349 507 K HA 0.544 4.862 4.320 -0.003 0.000 0.289 507 K C 0.025 176.757 176.600 0.219 0.000 1.064 507 K CA 0.459 56.886 56.287 0.235 0.000 0.947 507 K CB -0.223 32.481 32.500 0.339 0.000 1.007 507 K HN 0.976 nan 8.250 nan 0.000 0.478 508 G N 2.623 111.543 108.800 0.200 0.000 2.369 508 G HA2 0.009 3.967 3.960 -0.003 0.000 0.293 508 G HA3 0.009 3.967 3.960 -0.003 0.000 0.293 508 G C -1.993 172.956 174.900 0.082 0.000 1.301 508 G CA -0.793 44.385 45.100 0.130 0.000 0.913 508 G HN 0.563 nan 8.290 nan 0.000 0.540 509 D N -0.074 120.293 120.400 -0.056 0.000 2.375 509 D HA 0.626 5.264 4.640 -0.003 0.000 0.259 509 D C -0.522 175.604 176.300 -0.291 0.000 1.235 509 D CA -0.202 53.632 54.000 -0.278 0.000 0.924 509 D CB 0.173 40.550 40.800 -0.705 0.000 1.143 509 D HN 0.565 nan 8.370 nan 0.000 0.529 510 I N 2.344 122.758 120.570 -0.260 0.000 2.622 510 I HA 0.124 4.292 4.170 -0.003 0.000 0.283 510 I C -0.115 175.820 176.117 -0.303 0.000 1.202 510 I CA -0.641 60.512 61.300 -0.244 0.000 1.075 510 I CB 2.041 39.923 38.000 -0.197 0.000 1.274 510 I HN 0.170 nan 8.210 nan 0.000 0.450 511 E N 3.372 123.453 120.200 -0.199 0.000 2.383 511 E HA 0.163 4.511 4.350 -0.003 0.000 0.264 511 E C 0.297 176.814 176.600 -0.139 0.000 1.050 511 E CA 0.069 56.369 56.400 -0.167 0.000 0.896 511 E CB 1.397 31.059 29.700 -0.063 0.000 0.982 511 E HN 0.562 nan 8.360 nan 0.000 0.424 512 T N 1.335 115.826 114.554 -0.105 0.000 2.887 512 T HA -0.057 4.291 4.350 -0.003 0.000 0.371 512 T C 0.585 175.323 174.700 0.063 0.000 1.126 512 T CA 0.245 62.397 62.100 0.086 0.000 1.043 512 T CB 0.464 69.451 68.868 0.198 0.000 1.362 512 T HN 0.607 nan 8.240 nan 0.000 0.525 513 Q N -0.356 119.493 119.800 0.082 0.000 2.915 513 Q HA 0.512 4.850 4.340 -0.003 0.000 0.186 513 Q C -0.176 175.849 176.000 0.041 0.000 1.106 513 Q CA -0.932 54.900 55.803 0.050 0.000 0.700 513 Q CB 0.368 29.132 28.738 0.044 0.000 4.029 513 Q HN 0.800 nan 8.270 nan 0.000 0.362 514 E N -0.348 119.871 120.200 0.032 0.000 2.316 514 E HA 0.651 4.999 4.350 -0.003 0.000 0.258 514 E C -1.248 175.368 176.600 0.027 0.000 0.952 514 E CA -1.283 55.135 56.400 0.030 0.000 0.818 514 E CB 1.466 31.180 29.700 0.024 0.000 1.260 514 E HN 0.611 nan 8.360 nan 0.000 0.416 515 A N 1.420 124.260 122.820 0.032 0.000 2.350 515 A HA 0.315 4.633 4.320 -0.003 0.000 0.293 515 A C 0.227 177.803 177.584 -0.013 0.000 1.231 515 A CA -0.421 51.628 52.037 0.021 0.000 0.883 515 A CB -0.341 18.694 19.000 0.059 0.000 1.133 515 A HN 0.572 nan 8.150 nan 0.000 0.533 516 S N 2.141 117.815 115.700 -0.043 0.000 2.584 516 S HA 0.623 5.091 4.470 -0.003 0.000 0.273 516 S C 0.281 174.814 174.600 -0.112 0.000 1.311 516 S CA -0.053 58.111 58.200 -0.059 0.000 1.034 516 S CB 1.086 64.253 63.200 -0.056 0.000 0.939 516 S HN 1.596 nan 8.310 nan 0.000 0.513 517 V N -0.892 118.970 119.914 -0.087 0.000 3.177 517 V HA 0.971 5.089 4.120 -0.003 0.000 0.319 517 V C -0.014 176.042 176.094 -0.064 0.000 1.125 517 V CA -0.713 61.526 62.300 -0.101 0.000 1.029 517 V CB 1.362 33.165 31.823 -0.033 0.000 1.119 517 V HN 1.068 nan 8.190 nan 0.000 0.452 518 S N -0.458 115.238 115.700 -0.007 0.000 2.563 518 S HA 0.554 5.022 4.470 -0.003 0.000 0.279 518 S C 0.793 175.441 174.600 0.081 0.000 1.155 518 S CA 0.093 58.311 58.200 0.030 0.000 0.928 518 S CB 1.252 64.460 63.200 0.014 0.000 1.107 518 S HN 1.678 nan 8.310 nan 0.000 0.462 519 G N 2.727 111.544 108.800 0.029 0.000 2.513 519 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.219 519 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.219 519 G C 1.478 176.352 174.900 -0.042 0.000 1.160 519 G CA 1.567 46.665 45.100 -0.003 0.000 0.767 519 G HN 0.841 nan 8.290 nan 0.000 0.571 520 S N 0.550 116.228 115.700 -0.036 0.000 2.380 520 S HA -0.213 4.255 4.470 -0.003 0.000 0.229 520 S C 1.898 176.446 174.600 -0.087 0.000 1.043 520 S CA 1.440 59.587 58.200 -0.088 0.000 1.038 520 S CB -0.437 62.744 63.200 -0.032 0.000 0.872 520 S HN 0.380 nan 8.310 nan 0.000 0.456 521 F N 2.742 122.602 119.950 -0.149 0.000 2.043 521 F HA -0.166 4.359 4.527 -0.003 0.000 0.297 521 F C 2.420 178.111 175.800 -0.181 0.000 1.121 521 F CA 1.716 59.631 58.000 -0.142 0.000 1.199 521 F CB -0.526 38.416 39.000 -0.098 0.000 0.968 521 F HN 0.102 nan 8.300 nan 0.000 0.478 522 E N 0.254 120.364 120.200 -0.150 0.000 2.110 522 E HA -0.208 4.140 4.350 -0.003 0.000 0.193 522 E C 2.356 178.750 176.600 -0.343 0.000 0.988 522 E CA 1.218 57.469 56.400 -0.249 0.000 0.804 522 E CB -0.453 29.187 29.700 -0.099 0.000 0.745 522 E HN 0.521 nan 8.360 nan 0.000 0.458 523 R N 0.292 120.561 120.500 -0.384 0.000 2.081 523 R HA -0.072 4.266 4.340 -0.003 0.000 0.235 523 R C 2.453 178.107 176.300 -1.077 0.000 1.131 523 R CA 0.922 56.641 56.100 -0.635 0.000 0.960 523 R CB -0.219 29.704 30.300 -0.629 0.000 0.856 523 R HN 0.141 nan 8.270 nan 0.000 0.436 524 I N 0.804 120.865 120.570 -0.849 0.000 2.179 524 I HA -0.264 3.904 4.170 -0.003 0.000 0.242 524 I C 2.392 178.263 176.117 -0.410 0.000 1.088 524 I CA 1.410 62.319 61.300 -0.652 0.000 1.357 524 I CB -0.787 36.989 38.000 -0.373 0.000 1.051 524 I HN 0.186 nan 8.210 nan 0.000 0.409 525 M N 0.406 119.731 119.600 -0.459 0.000 2.088 525 M HA -0.193 4.285 4.480 -0.003 0.000 0.256 525 M C 2.531 178.692 176.300 -0.233 0.000 1.071 525 M CA 1.587 56.675 55.300 -0.354 0.000 1.097 525 M CB -1.573 30.775 32.600 -0.419 0.000 1.315 525 M HN 0.074 nan 8.290 nan 0.000 0.406 526 V N -1.010 118.754 119.914 -0.249 0.000 2.332 526 V HA -0.268 3.850 4.120 -0.003 0.000 0.248 526 V C 2.243 178.309 176.094 -0.047 0.000 1.055 526 V CA 1.740 63.960 62.300 -0.133 0.000 1.038 526 V CB -0.924 30.843 31.823 -0.093 0.000 0.651 526 V HN 0.416 nan 8.190 nan 0.000 0.450 527 W N 0.344 121.508 121.300 -0.226 0.000 2.355 527 W HA -0.070 4.587 4.660 -0.004 0.000 0.309 527 W C 2.819 179.051 176.519 -0.478 0.000 1.206 527 W CA 1.134 58.267 57.345 -0.354 0.000 1.284 527 W CB -1.751 27.658 29.460 -0.085 0.000 1.145 527 W HN 0.290 nan 8.180 nan 0.000 0.502 528 A N 0.917 123.765 122.820 0.046 0.000 1.903 528 A HA -0.272 4.046 4.320 -0.003 0.000 0.219 528 A C 1.835 179.386 177.584 -0.054 0.000 1.191 528 A CA 2.538 54.606 52.037 0.053 0.000 0.638 528 A CB -1.027 17.980 19.000 0.012 0.000 0.823 528 A HN 0.223 nan 8.150 nan 0.000 0.451 529 D N -0.615 119.720 120.400 -0.108 0.000 2.104 529 D HA -0.175 4.463 4.640 -0.003 0.000 0.194 529 D C 1.841 178.052 176.300 -0.148 0.000 0.994 529 D CA 1.697 55.639 54.000 -0.096 0.000 0.830 529 D CB -0.403 40.343 40.800 -0.090 0.000 0.959 529 D HN 0.568 nan 8.370 nan 0.000 0.452 530 K N -0.473 119.738 120.400 -0.314 0.000 2.127 530 K HA -0.169 4.149 4.320 -0.003 0.000 0.208 530 K C 1.712 178.166 176.600 -0.243 0.000 1.047 530 K CA 1.217 57.274 56.287 -0.384 0.000 0.927 530 K CB -0.055 32.060 32.500 -0.642 0.000 0.716 530 K HN 0.060 nan 8.250 nan 0.000 0.450 531 F N 0.425 120.399 119.950 0.040 0.000 2.505 531 F HA 0.129 4.654 4.527 -0.003 0.000 0.289 531 F C 0.749 176.563 175.800 0.024 0.000 1.101 531 F CA -0.065 57.952 58.000 0.027 0.000 1.446 531 F CB -0.425 38.589 39.000 0.024 0.000 1.123 531 F HN -0.068 nan 8.300 nan 0.000 0.564 532 R N 0.643 121.243 120.500 0.167 0.000 2.539 532 R HA 0.312 4.650 4.340 -0.003 0.000 0.275 532 R C 0.788 177.157 176.300 0.115 0.000 1.077 532 R CA 0.682 56.849 56.100 0.112 0.000 1.097 532 R CB 0.468 30.812 30.300 0.074 0.000 1.018 532 R HN 0.191 nan 8.270 nan 0.000 0.483 533 T N 0.314 114.956 114.554 0.148 0.000 3.046 533 T HA 0.134 4.482 4.350 -0.003 0.000 0.242 533 T C 1.008 175.795 174.700 0.146 0.000 1.018 533 T CA -0.336 61.856 62.100 0.153 0.000 1.131 533 T CB 0.027 69.016 68.868 0.202 0.000 0.904 533 T HN 0.365 nan 8.240 nan 0.000 0.459 534 L N 2.790 124.123 121.223 0.184 0.000 2.584 534 L HA 0.142 4.480 4.340 -0.003 0.000 0.272 534 L C 0.387 177.343 176.870 0.144 0.000 1.195 534 L CA 0.001 54.946 54.840 0.176 0.000 0.920 534 L CB 0.173 42.346 42.059 0.189 0.000 1.173 534 L HN 0.229 nan 8.230 nan 0.000 0.489 535 K N 2.730 123.222 120.400 0.153 0.000 2.295 535 K HA 0.365 4.683 4.320 -0.003 0.000 0.270 535 K C -0.671 176.022 176.600 0.155 0.000 1.011 535 K CA -0.519 55.838 56.287 0.117 0.000 0.953 535 K CB 1.272 33.821 32.500 0.082 0.000 0.956 535 K HN 0.272 nan 8.250 nan 0.000 0.477 536 V N 3.551 123.522 119.914 0.096 0.000 2.409 536 V HA 0.346 4.464 4.120 -0.003 0.000 0.291 536 V C -0.045 176.084 176.094 0.059 0.000 1.020 536 V CA -0.793 61.575 62.300 0.113 0.000 0.848 536 V CB 1.343 33.215 31.823 0.082 0.000 0.990 536 V HN 0.713 nan 8.190 nan 0.000 0.430 537 R N 1.681 122.230 120.500 0.082 0.000 2.893 537 R HA 0.812 5.150 4.340 -0.003 0.000 0.245 537 R C -0.341 176.001 176.300 0.069 0.000 1.192 537 R CA -0.624 55.478 56.100 0.005 0.000 1.077 537 R CB 1.880 32.092 30.300 -0.147 0.000 1.253 537 R HN 0.677 nan 8.270 nan 0.000 0.505 538 T N -0.335 114.249 114.554 0.050 0.000 2.916 538 T HA 0.357 4.705 4.350 -0.003 0.000 0.292 538 T C -1.243 173.510 174.700 0.088 0.000 1.064 538 T CA -0.938 61.207 62.100 0.075 0.000 1.011 538 T CB 0.933 69.833 68.868 0.053 0.000 1.152 538 T HN 0.419 nan 8.240 nan 0.000 0.510 539 N N 2.163 120.925 118.700 0.103 0.000 2.439 539 N HA 0.622 5.360 4.740 -0.003 0.000 0.249 539 N C -0.969 174.599 175.510 0.097 0.000 1.003 539 N CA -0.330 52.785 53.050 0.109 0.000 0.942 539 N CB 1.342 39.900 38.487 0.118 0.000 1.115 539 N HN 0.774 nan 8.380 nan 0.000 0.505 540 A N 1.242 124.118 122.820 0.093 0.000 2.455 540 A HA 0.510 4.828 4.320 -0.003 0.000 0.300 540 A C -0.374 177.271 177.584 0.102 0.000 1.040 540 A CA -0.656 51.433 52.037 0.086 0.000 0.697 540 A CB 1.383 20.422 19.000 0.066 0.000 1.265 540 A HN 0.398 nan 8.150 nan 0.000 0.407 541 D N 0.466 120.929 120.400 0.107 0.000 2.454 541 D HA 0.130 4.769 4.640 -0.003 0.000 0.214 541 D C 0.827 177.163 176.300 0.060 0.000 1.088 541 D CA 1.641 55.745 54.000 0.173 0.000 0.855 541 D CB 0.870 41.821 40.800 0.250 0.000 1.025 541 D HN 0.749 nan 8.370 nan 0.000 0.502 542 T N -2.840 111.716 114.554 0.002 0.000 2.887 542 T HA 0.413 4.761 4.350 -0.003 0.000 0.292 542 T C -2.351 172.348 174.700 -0.002 0.000 1.087 542 T CA -1.841 60.237 62.100 -0.037 0.000 1.009 542 T CB 2.645 71.467 68.868 -0.075 0.000 1.203 542 T HN -0.405 nan 8.240 nan 0.000 0.518 543 P HA -0.119 nan 4.420 nan 0.000 0.215 543 P C 1.499 178.814 177.300 0.024 0.000 1.157 543 P CA 1.190 64.295 63.100 0.008 0.000 0.874 543 P CB 0.094 31.796 31.700 0.004 0.000 0.790 544 E N -0.112 120.107 120.200 0.031 0.000 2.048 544 E HA -0.272 4.076 4.350 -0.003 0.000 0.202 544 E C 1.578 178.218 176.600 0.066 0.000 1.021 544 E CA 1.784 58.219 56.400 0.057 0.000 0.825 544 E CB -0.507 29.244 29.700 0.084 0.000 0.756 544 E HN 0.217 nan 8.360 nan 0.000 0.454 545 D N -0.201 120.239 120.400 0.067 0.000 2.092 545 D HA -0.158 4.480 4.640 -0.003 0.000 0.193 545 D C 2.031 178.366 176.300 0.057 0.000 0.994 545 D CA 1.954 56.004 54.000 0.083 0.000 0.828 545 D CB -0.694 40.152 40.800 0.077 0.000 0.963 545 D HN 0.262 nan 8.370 nan 0.000 0.450 546 T N 2.295 116.874 114.554 0.041 0.000 2.592 546 T HA -0.202 4.146 4.350 -0.003 0.000 0.267 546 T C 2.324 177.034 174.700 0.016 0.000 1.060 546 T CA 1.117 63.233 62.100 0.027 0.000 1.167 546 T CB -0.668 68.214 68.868 0.023 0.000 0.863 546 T HN 0.137 nan 8.240 nan 0.000 0.431 547 L N 1.113 122.348 121.223 0.021 0.000 2.043 547 L HA -0.170 4.168 4.340 -0.003 0.000 0.212 547 L C 2.680 179.547 176.870 -0.005 0.000 1.075 547 L CA 1.267 56.115 54.840 0.013 0.000 0.752 547 L CB -0.731 41.343 42.059 0.024 0.000 0.891 547 L HN 0.307 nan 8.230 nan 0.000 0.432 548 N N 0.153 118.851 118.700 -0.002 0.000 2.142 548 N HA -0.141 4.597 4.740 -0.003 0.000 0.186 548 N C 1.940 177.368 175.510 -0.137 0.000 1.023 548 N CA 1.507 54.518 53.050 -0.065 0.000 0.852 548 N CB -0.171 38.307 38.487 -0.014 0.000 0.998 548 N HN 0.347 nan 8.380 nan 0.000 0.424 549 A N 1.218 123.991 122.820 -0.078 0.000 1.877 549 A HA -0.094 4.224 4.320 -0.003 0.000 0.216 549 A C 2.531 180.077 177.584 -0.064 0.000 1.186 549 A CA 1.455 53.447 52.037 -0.075 0.000 0.620 549 A CB -0.835 18.155 19.000 -0.016 0.000 0.822 549 A HN 0.110 nan 8.150 nan 0.000 0.443 550 V N 0.321 120.212 119.914 -0.039 0.000 2.515 550 V HA -0.241 3.877 4.120 -0.003 0.000 0.250 550 V C 2.456 178.525 176.094 -0.040 0.000 1.058 550 V CA 2.240 64.521 62.300 -0.031 0.000 1.064 550 V CB -0.766 31.049 31.823 -0.015 0.000 0.675 550 V HN 0.700 nan 8.190 nan 0.000 0.461 551 K N 0.137 120.507 120.400 -0.050 0.000 2.211 551 K HA -0.094 4.224 4.320 -0.003 0.000 0.204 551 K C 1.550 178.113 176.600 -0.062 0.000 1.047 551 K CA 1.344 57.600 56.287 -0.051 0.000 0.935 551 K CB -0.094 32.374 32.500 -0.053 0.000 0.728 551 K HN 0.449 nan 8.250 nan 0.000 0.452 552 L N -0.500 120.669 121.223 -0.090 0.000 2.741 552 L HA 0.259 4.597 4.340 -0.003 0.000 0.237 552 L C 0.782 177.614 176.870 -0.064 0.000 1.178 552 L CA 0.241 55.034 54.840 -0.079 0.000 0.973 552 L CB 0.814 42.788 42.059 -0.142 0.000 1.255 552 L HN 0.520 nan 8.230 nan 0.000 0.498 553 G N -0.234 108.532 108.800 -0.057 0.000 2.179 553 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.220 553 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.220 553 G C 0.455 175.334 174.900 -0.035 0.000 0.990 553 G CA -0.165 44.904 45.100 -0.051 0.000 0.646 553 G HN 0.444 nan 8.290 nan 0.000 0.517 554 A N 0.227 123.028 122.820 -0.031 0.000 2.540 554 A HA 0.533 4.851 4.320 -0.003 0.000 0.239 554 A C 0.958 178.529 177.584 -0.021 0.000 1.061 554 A CA 1.195 53.221 52.037 -0.018 0.000 0.758 554 A CB 0.150 19.142 19.000 -0.014 0.000 0.991 554 A HN 0.509 nan 8.150 nan 0.000 0.502 555 E N 0.898 121.083 120.200 -0.025 0.000 2.463 555 E HA 0.373 4.721 4.350 -0.003 0.000 0.193 555 E C 0.726 177.296 176.600 -0.051 0.000 1.041 555 E CA 0.491 56.870 56.400 -0.035 0.000 0.879 555 E CB 0.307 29.986 29.700 -0.034 0.000 0.997 555 E HN 1.037 nan 8.360 nan 0.000 0.478 556 G N 0.851 109.622 108.800 -0.049 0.000 2.362 556 G HA2 0.071 4.029 3.960 -0.003 0.000 0.288 556 G HA3 0.071 4.029 3.960 -0.003 0.000 0.288 556 G C -1.555 173.314 174.900 -0.052 0.000 1.305 556 G CA -1.107 43.960 45.100 -0.055 0.000 0.910 556 G HN 0.037 nan 8.290 nan 0.000 0.518 557 I N 2.164 122.707 120.570 -0.046 0.000 2.330 557 I HA 0.386 4.554 4.170 -0.003 0.000 0.286 557 I C 1.604 177.707 176.117 -0.023 0.000 1.025 557 I CA 0.014 61.308 61.300 -0.010 0.000 1.197 557 I CB 1.462 39.475 38.000 0.021 0.000 1.358 557 I HN 0.772 nan 8.210 nan 0.000 0.467 558 G N 6.795 115.604 108.800 0.016 0.000 2.443 558 G HA2 -0.033 3.925 3.960 -0.003 0.000 0.219 558 G HA3 -0.033 3.925 3.960 -0.003 0.000 0.219 558 G C 0.281 175.276 174.900 0.157 0.000 1.131 558 G CA 0.637 45.800 45.100 0.106 0.000 0.775 558 G HN 0.401 nan 8.290 nan 0.000 0.547 559 L N -0.446 120.859 121.223 0.136 0.000 2.580 559 L HA 0.553 4.891 4.340 -0.003 0.000 0.266 559 L C -1.429 175.525 176.870 0.139 0.000 0.955 559 L CA -1.367 53.565 54.840 0.153 0.000 0.886 559 L CB 1.485 43.644 42.059 0.167 0.000 1.263 559 L HN -0.086 nan 8.230 nan 0.000 0.406 560 C N 6.129 125.520 119.300 0.153 0.000 2.294 560 C HA 0.649 5.107 4.460 -0.003 0.000 0.319 560 C C 0.469 175.559 174.990 0.167 0.000 1.164 560 C CA -0.590 58.522 59.018 0.157 0.000 1.497 560 C CB -0.197 27.640 27.740 0.162 0.000 2.061 560 C HN 0.939 nan 8.230 nan 0.000 0.438 561 R N 2.857 123.443 120.500 0.143 0.000 2.643 561 R HA 0.311 4.649 4.340 -0.003 0.000 0.270 561 R C 1.325 177.602 176.300 -0.039 0.000 1.061 561 R CA 0.654 56.811 56.100 0.094 0.000 1.107 561 R CB 0.517 30.875 30.300 0.095 0.000 0.999 561 R HN 0.838 nan 8.270 nan 0.000 0.460 562 T N -2.571 111.958 114.554 -0.040 0.000 3.145 562 T HA 0.145 4.493 4.350 -0.003 0.000 0.281 562 T C 0.685 175.379 174.700 -0.010 0.000 1.003 562 T CA -0.383 61.657 62.100 -0.101 0.000 0.901 562 T CB 0.258 69.216 68.868 0.150 0.000 1.112 562 T HN 0.361 nan 8.240 nan 0.000 0.535 563 E N 2.380 122.583 120.200 0.005 0.000 2.047 563 E HA -0.096 4.252 4.350 -0.003 0.000 0.191 563 E C 1.833 178.710 176.600 0.462 0.000 0.987 563 E CA 1.915 58.494 56.400 0.299 0.000 0.799 563 E CB -0.556 29.396 29.700 0.420 0.000 0.752 563 E HN 0.934 nan 8.360 nan 0.000 0.449 564 H N -0.400 118.946 119.070 0.459 0.000 2.426 564 H HA -0.073 4.481 4.556 -0.003 0.000 0.298 564 H C 1.724 177.213 175.328 0.268 0.000 1.107 564 H CA 1.580 57.863 56.048 0.391 0.000 1.298 564 H CB -0.739 29.145 29.762 0.202 0.000 1.377 564 H HN 0.116 nan 8.280 nan 0.000 0.519 565 M N -0.435 119.298 119.600 0.222 0.000 2.539 565 M HA -0.031 4.447 4.480 -0.003 0.000 0.261 565 M C 0.689 176.826 176.300 -0.271 0.000 1.069 565 M CA 1.283 56.579 55.300 -0.007 0.000 1.081 565 M CB -0.081 32.356 32.600 -0.272 0.000 1.412 565 M HN 0.258 nan 8.290 nan 0.000 0.482 566 F N -2.564 117.316 119.950 -0.118 0.000 2.653 566 F HA 0.171 4.696 4.527 -0.003 0.000 0.288 566 F C 1.576 177.257 175.800 -0.198 0.000 1.121 566 F CA -0.003 57.804 58.000 -0.322 0.000 1.384 566 F CB -0.406 38.144 39.000 -0.750 0.000 1.115 566 F HN -0.087 nan 8.300 nan 0.000 0.599 567 F N 0.964 121.097 119.950 0.306 0.000 2.128 567 F HA 0.005 4.530 4.527 -0.003 0.000 0.295 567 F C 1.351 177.242 175.800 0.151 0.000 1.100 567 F CA 0.404 58.580 58.000 0.293 0.000 1.260 567 F CB -0.721 38.474 39.000 0.324 0.000 1.009 567 F HN -0.183 nan 8.300 nan 0.000 0.476 568 E N -0.011 120.372 120.200 0.305 0.000 2.565 568 E HA -0.074 4.274 4.350 -0.003 0.000 0.268 568 E C 1.380 178.030 176.600 0.083 0.000 1.000 568 E CA 0.134 56.632 56.400 0.163 0.000 0.964 568 E CB 0.472 30.236 29.700 0.107 0.000 0.955 568 E HN 0.275 nan 8.360 nan 0.000 0.459 569 A N 3.782 126.638 122.820 0.060 0.000 1.927 569 A HA -0.271 4.047 4.320 -0.003 0.000 0.220 569 A C 1.521 179.096 177.584 -0.015 0.000 1.185 569 A CA 2.312 54.366 52.037 0.029 0.000 0.639 569 A CB -0.466 18.548 19.000 0.023 0.000 0.820 569 A HN 0.754 nan 8.150 nan 0.000 0.451 570 D N -1.765 118.614 120.400 -0.034 0.000 2.349 570 D HA -0.042 4.596 4.640 -0.003 0.000 0.224 570 D C 1.638 177.752 176.300 -0.310 0.000 1.029 570 D CA 0.394 54.332 54.000 -0.103 0.000 0.879 570 D CB -0.183 40.620 40.800 0.005 0.000 0.906 570 D HN 0.424 nan 8.370 nan 0.000 0.528 571 R N 0.080 120.432 120.500 -0.246 0.000 2.140 571 R HA 0.285 4.623 4.340 -0.003 0.000 0.200 571 R C 2.397 178.559 176.300 -0.230 0.000 1.069 571 R CA -0.238 55.656 56.100 -0.343 0.000 1.088 571 R CB -0.909 29.232 30.300 -0.265 0.000 1.012 571 R HN 0.166 nan 8.270 nan 0.000 0.500 572 I N 1.564 122.071 120.570 -0.105 0.000 2.290 572 I HA -0.314 3.854 4.170 -0.003 0.000 0.253 572 I C 1.792 177.864 176.117 -0.074 0.000 1.112 572 I CA 1.270 62.542 61.300 -0.047 0.000 1.377 572 I CB 0.127 38.164 38.000 0.060 0.000 1.060 572 I HN 0.051 nan 8.210 nan 0.000 0.428 573 M N -0.252 119.290 119.600 -0.097 0.000 2.175 573 M HA -0.195 4.283 4.480 -0.003 0.000 0.264 573 M C 2.131 178.364 176.300 -0.112 0.000 1.063 573 M CA 1.661 56.907 55.300 -0.089 0.000 1.119 573 M CB -1.038 31.509 32.600 -0.089 0.000 1.377 573 M HN 0.081 nan 8.290 nan 0.000 0.415 574 K N 0.391 120.693 120.400 -0.163 0.000 2.062 574 K HA -0.042 4.276 4.320 -0.003 0.000 0.205 574 K C 1.837 178.353 176.600 -0.140 0.000 1.051 574 K CA 0.817 57.007 56.287 -0.160 0.000 0.941 574 K CB -0.710 31.658 32.500 -0.221 0.000 0.719 574 K HN 0.170 nan 8.250 nan 0.000 0.440 575 I N 1.087 121.558 120.570 -0.163 0.000 2.202 575 I HA -0.229 3.939 4.170 -0.003 0.000 0.242 575 I C 1.850 177.883 176.117 -0.139 0.000 1.091 575 I CA 1.443 62.631 61.300 -0.187 0.000 1.368 575 I CB -0.040 37.747 38.000 -0.355 0.000 1.058 575 I HN 0.048 nan 8.210 nan 0.000 0.410 576 R N 0.452 120.894 120.500 -0.097 0.000 2.094 576 R HA -0.250 4.088 4.340 -0.003 0.000 0.239 576 R C 2.441 178.700 176.300 -0.069 0.000 1.137 576 R CA 2.006 58.072 56.100 -0.057 0.000 0.943 576 R CB -0.654 29.627 30.300 -0.033 0.000 0.850 576 R HN 0.393 nan 8.270 nan 0.000 0.433 577 K N 0.600 120.956 120.400 -0.073 0.000 2.074 577 K HA -0.188 4.130 4.320 -0.003 0.000 0.209 577 K C 2.233 178.786 176.600 -0.078 0.000 1.048 577 K CA 1.559 57.806 56.287 -0.067 0.000 0.926 577 K CB -0.116 32.346 32.500 -0.063 0.000 0.713 577 K HN 0.084 nan 8.250 nan 0.000 0.444 578 M N 1.145 120.687 119.600 -0.096 0.000 2.080 578 M HA -0.190 4.288 4.480 -0.003 0.000 0.260 578 M C 1.892 178.104 176.300 -0.147 0.000 1.068 578 M CA 1.669 56.899 55.300 -0.117 0.000 1.109 578 M CB -0.419 32.105 32.600 -0.126 0.000 1.342 578 M HN 0.250 nan 8.290 nan 0.000 0.405 579 I N 0.610 121.097 120.570 -0.138 0.000 2.163 579 I HA -0.340 3.828 4.170 -0.003 0.000 0.243 579 I C 2.098 178.150 176.117 -0.108 0.000 1.085 579 I CA 1.153 62.371 61.300 -0.138 0.000 1.347 579 I CB -0.374 37.574 38.000 -0.087 0.000 1.044 579 I HN 0.332 nan 8.210 nan 0.000 0.408 580 L N -0.485 120.690 121.223 -0.080 0.000 2.591 580 L HA 0.076 4.414 4.340 -0.003 0.000 0.228 580 L C 1.201 178.040 176.870 -0.051 0.000 1.133 580 L CA -0.069 54.736 54.840 -0.058 0.000 0.880 580 L CB -0.534 41.496 42.059 -0.047 0.000 1.033 580 L HN 0.083 nan 8.230 nan 0.000 0.450 581 S N 0.145 115.806 115.700 -0.064 0.000 2.589 581 S HA 0.035 4.503 4.470 -0.003 0.000 0.265 581 S C 0.589 175.166 174.600 -0.038 0.000 1.342 581 S CA -0.038 58.132 58.200 -0.050 0.000 1.005 581 S CB 0.659 63.825 63.200 -0.057 0.000 0.909 581 S HN 0.247 nan 8.310 nan 0.000 0.555 582 D N 0.770 121.158 120.400 -0.019 0.000 2.740 582 D HA 0.244 4.882 4.640 -0.003 0.000 0.301 582 D C -0.762 175.544 176.300 0.010 0.000 1.408 582 D CA 0.179 54.178 54.000 -0.001 0.000 0.808 582 D CB 0.797 41.598 40.800 0.002 0.000 1.128 582 D HN 0.303 nan 8.370 nan 0.000 0.465 583 S N -0.216 115.487 115.700 0.006 0.000 2.533 583 S HA 0.153 4.621 4.470 -0.003 0.000 0.271 583 S C 0.673 175.285 174.600 0.020 0.000 1.143 583 S CA -0.530 57.680 58.200 0.017 0.000 0.891 583 S CB 2.018 65.224 63.200 0.010 0.000 1.105 583 S HN -0.123 nan 8.310 nan 0.000 0.468 584 V N 3.763 123.701 119.914 0.041 0.000 2.469 584 V HA -0.070 4.048 4.120 -0.003 0.000 0.251 584 V C 1.948 178.061 176.094 0.033 0.000 1.064 584 V CA 2.453 64.785 62.300 0.052 0.000 1.066 584 V CB -0.548 31.318 31.823 0.071 0.000 0.667 584 V HN 0.890 nan 8.190 nan 0.000 0.461 585 E N 0.683 120.898 120.200 0.024 0.000 2.107 585 E HA -0.066 4.282 4.350 -0.003 0.000 0.191 585 E C 2.266 178.869 176.600 0.006 0.000 0.982 585 E CA 1.425 57.835 56.400 0.016 0.000 0.809 585 E CB -0.695 29.014 29.700 0.015 0.000 0.756 585 E HN 0.686 nan 8.360 nan 0.000 0.459 586 A N 1.358 124.178 122.820 -0.000 0.000 1.968 586 A HA -0.094 4.224 4.320 -0.003 0.000 0.217 586 A C 2.215 179.784 177.584 -0.025 0.000 1.169 586 A CA 1.020 53.050 52.037 -0.012 0.000 0.638 586 A CB -0.288 18.704 19.000 -0.015 0.000 0.812 586 A HN 0.052 nan 8.150 nan 0.000 0.446 587 R N -0.168 120.315 120.500 -0.028 0.000 2.062 587 R HA -0.090 4.248 4.340 -0.003 0.000 0.231 587 R C 2.151 178.436 176.300 -0.025 0.000 1.136 587 R CA 1.699 57.771 56.100 -0.048 0.000 0.948 587 R CB -0.301 29.961 30.300 -0.062 0.000 0.845 587 R HN 0.646 nan 8.270 nan 0.000 0.430 588 E N 0.071 120.271 120.200 -0.000 0.000 2.118 588 E HA -0.272 4.076 4.350 -0.003 0.000 0.195 588 E C 1.924 178.526 176.600 0.003 0.000 0.992 588 E CA 1.361 57.768 56.400 0.011 0.000 0.804 588 E CB -0.015 29.699 29.700 0.022 0.000 0.741 588 E HN 0.400 nan 8.360 nan 0.000 0.458 589 E N 0.631 120.829 120.200 -0.002 0.000 2.047 589 E HA -0.184 4.164 4.350 -0.003 0.000 0.191 589 E C 2.074 178.666 176.600 -0.013 0.000 0.987 589 E CA 0.999 57.397 56.400 -0.004 0.000 0.799 589 E CB -0.084 29.613 29.700 -0.005 0.000 0.752 589 E HN 0.209 nan 8.360 nan 0.000 0.449 590 A N 0.925 123.729 122.820 -0.027 0.000 1.940 590 A HA -0.159 4.159 4.320 -0.003 0.000 0.219 590 A C 2.183 179.737 177.584 -0.050 0.000 1.176 590 A CA 1.222 53.232 52.037 -0.044 0.000 0.631 590 A CB -0.586 18.379 19.000 -0.059 0.000 0.814 590 A HN 0.336 nan 8.150 nan 0.000 0.446 591 L N -0.600 120.602 121.223 -0.036 0.000 2.131 591 L HA -0.119 4.219 4.340 -0.003 0.000 0.206 591 L C 2.191 179.050 176.870 -0.018 0.000 1.087 591 L CA 0.795 55.619 54.840 -0.028 0.000 0.767 591 L CB -0.571 41.488 42.059 0.000 0.000 0.917 591 L HN 0.392 nan 8.230 nan 0.000 0.441 592 N N 0.396 119.094 118.700 -0.003 0.000 2.205 592 N HA -0.198 4.540 4.740 -0.003 0.000 0.186 592 N C 1.527 177.051 175.510 0.024 0.000 1.015 592 N CA 1.182 54.239 53.050 0.011 0.000 0.862 592 N CB -0.047 38.448 38.487 0.014 0.000 0.986 592 N HN 0.479 nan 8.380 nan 0.000 0.429 593 E N 0.398 120.606 120.200 0.014 0.000 2.338 593 E HA -0.053 4.295 4.350 -0.003 0.000 0.197 593 E C 1.651 178.301 176.600 0.083 0.000 1.007 593 E CA 0.337 56.766 56.400 0.048 0.000 0.849 593 E CB 0.086 29.789 29.700 0.005 0.000 0.774 593 E HN 0.362 nan 8.360 nan 0.000 0.506 594 L N 0.252 121.470 121.223 -0.009 0.000 2.375 594 L HA 0.005 4.343 4.340 -0.003 0.000 0.215 594 L C 2.101 179.017 176.870 0.076 0.000 1.108 594 L CA 0.056 54.870 54.840 -0.044 0.000 0.830 594 L CB -0.048 41.861 42.059 -0.250 0.000 0.959 594 L HN 0.122 nan 8.230 nan 0.000 0.457 595 I N 0.929 121.531 120.570 0.053 0.000 2.091 595 I HA -0.291 3.877 4.170 -0.003 0.000 0.240 595 I C -0.265 175.897 176.117 0.075 0.000 1.046 595 I CA 1.820 63.150 61.300 0.051 0.000 1.306 595 I CB -1.824 36.202 38.000 0.043 0.000 1.018 595 I HN 0.239 nan 8.210 nan 0.000 0.404 596 P HA -0.199 nan 4.420 nan 0.000 0.216 596 P C 1.694 178.950 177.300 -0.074 0.000 1.153 596 P CA 1.952 65.028 63.100 -0.040 0.000 0.858 596 P CB -0.226 31.378 31.700 -0.159 0.000 0.789 597 F N 0.159 120.060 119.950 -0.082 0.000 2.206 597 F HA -0.059 4.466 4.527 -0.003 0.000 0.298 597 F C 2.850 178.566 175.800 -0.139 0.000 1.090 597 F CA 1.267 59.205 58.000 -0.103 0.000 1.323 597 F CB -1.167 37.758 39.000 -0.125 0.000 1.028 597 F HN -0.069 nan 8.300 nan 0.000 0.492 598 Q N 0.177 119.993 119.800 0.026 0.000 2.062 598 Q HA -0.164 4.174 4.340 -0.003 0.000 0.196 598 Q C 2.258 178.222 176.000 -0.060 0.000 0.967 598 Q CA 0.972 56.688 55.803 -0.145 0.000 0.832 598 Q CB -0.299 28.326 28.738 -0.188 0.000 0.899 598 Q HN 0.362 nan 8.270 nan 0.000 0.442 599 K N 0.614 121.083 120.400 0.114 0.000 2.074 599 K HA -0.188 4.130 4.320 -0.003 0.000 0.209 599 K C 2.033 178.715 176.600 0.136 0.000 1.048 599 K CA 1.595 58.010 56.287 0.213 0.000 0.926 599 K CB -0.384 32.191 32.500 0.126 0.000 0.713 599 K HN 0.267 nan 8.250 nan 0.000 0.444 600 G N 0.960 109.778 108.800 0.030 0.000 2.422 600 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.218 600 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.218 600 G C 1.067 175.957 174.900 -0.016 0.000 1.146 600 G CA 1.050 46.147 45.100 -0.005 0.000 0.769 600 G HN 0.368 nan 8.290 nan 0.000 0.547 601 D N 0.453 120.806 120.400 -0.080 0.000 2.097 601 D HA -0.084 4.554 4.640 -0.003 0.000 0.195 601 D C 2.181 178.405 176.300 -0.126 0.000 0.989 601 D CA 0.696 54.606 54.000 -0.150 0.000 0.827 601 D CB -0.302 40.331 40.800 -0.279 0.000 0.966 601 D HN 0.289 nan 8.370 nan 0.000 0.456 602 F N 1.710 121.656 119.950 -0.007 0.000 2.102 602 F HA -0.074 4.451 4.527 -0.003 0.000 0.298 602 F C 2.381 178.178 175.800 -0.005 0.000 1.105 602 F CA 0.778 58.747 58.000 -0.050 0.000 1.239 602 F CB -0.469 38.545 39.000 0.023 0.000 0.991 602 F HN -0.158 nan 8.300 nan 0.000 0.474 603 K N 0.086 120.649 120.400 0.272 0.000 2.052 603 K HA -0.275 4.043 4.320 -0.003 0.000 0.215 603 K C 2.281 178.976 176.600 0.157 0.000 1.053 603 K CA 1.738 58.161 56.287 0.228 0.000 0.934 603 K CB -0.739 31.843 32.500 0.136 0.000 0.717 603 K HN 0.254 nan 8.250 nan 0.000 0.450 604 A N 1.115 123.982 122.820 0.077 0.000 1.940 604 A HA -0.202 4.116 4.320 -0.003 0.000 0.219 604 A C 2.107 179.711 177.584 0.033 0.000 1.176 604 A CA 1.591 53.653 52.037 0.041 0.000 0.631 604 A CB -0.367 18.636 19.000 0.004 0.000 0.814 604 A HN 0.173 nan 8.150 nan 0.000 0.446 605 M N -1.657 117.941 119.600 -0.003 0.000 2.064 605 M HA -0.092 4.386 4.480 -0.003 0.000 0.260 605 M C 2.179 178.470 176.300 -0.015 0.000 1.073 605 M CA 1.465 56.731 55.300 -0.057 0.000 1.124 605 M CB -1.701 30.808 32.600 -0.152 0.000 1.326 605 M HN 0.501 nan 8.290 nan 0.000 0.410 606 Y N 0.975 121.332 120.300 0.095 0.000 2.193 606 Y HA -0.211 4.337 4.550 -0.003 0.000 0.285 606 Y C 2.494 178.419 175.900 0.041 0.000 1.166 606 Y CA 1.309 59.446 58.100 0.062 0.000 1.181 606 Y CB -1.070 37.425 38.460 0.058 0.000 0.976 606 Y HN 0.273 nan 8.280 nan 0.000 0.520 607 K N -0.445 120.069 120.400 0.190 0.000 2.074 607 K HA -0.209 4.109 4.320 -0.003 0.000 0.209 607 K C 2.301 178.949 176.600 0.081 0.000 1.048 607 K CA 1.438 57.791 56.287 0.109 0.000 0.926 607 K CB -0.364 32.182 32.500 0.077 0.000 0.713 607 K HN 0.311 nan 8.250 nan 0.000 0.444 608 A N 0.525 123.387 122.820 0.069 0.000 2.016 608 A HA 0.003 4.321 4.320 -0.003 0.000 0.217 608 A C 1.934 179.548 177.584 0.049 0.000 1.162 608 A CA 0.791 52.856 52.037 0.047 0.000 0.662 608 A CB -0.207 18.812 19.000 0.032 0.000 0.812 608 A HN 0.142 nan 8.150 nan 0.000 0.450 609 L N -0.985 120.282 121.223 0.072 0.000 2.270 609 L HA 0.022 4.360 4.340 -0.003 0.000 0.210 609 L C 0.143 177.054 176.870 0.069 0.000 1.104 609 L CA 0.282 55.165 54.840 0.072 0.000 0.804 609 L CB -0.470 41.651 42.059 0.104 0.000 0.937 609 L HN 0.405 nan 8.230 nan 0.000 0.450 610 E N 0.368 120.615 120.200 0.079 0.000 2.197 610 E HA -0.295 4.053 4.350 -0.003 0.000 0.184 610 E C 1.090 177.715 176.600 0.041 0.000 1.439 610 E CA 0.154 56.586 56.400 0.053 0.000 0.688 610 E CB -1.441 28.280 29.700 0.034 0.000 1.090 610 E HN 0.677 nan 8.360 nan 0.000 0.341 611 G N 0.317 109.148 108.800 0.052 0.000 2.268 611 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.240 611 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.240 611 G C 0.420 175.339 174.900 0.032 0.000 1.010 611 G CA 0.195 45.312 45.100 0.028 0.000 0.618 611 G HN 0.351 nan 8.290 nan 0.000 0.516 612 R N 2.116 122.639 120.500 0.038 0.000 2.623 612 R HA 0.363 4.701 4.340 -0.003 0.000 0.271 612 R C -1.841 174.485 176.300 0.042 0.000 1.043 612 R CA -0.476 55.638 56.100 0.023 0.000 1.083 612 R CB 0.268 30.576 30.300 0.014 0.000 0.974 612 R HN 0.287 nan 8.270 nan 0.000 0.436 613 P HA 0.057 nan 4.420 nan 0.000 0.274 613 P C -0.910 176.396 177.300 0.010 0.000 1.237 613 P CA -0.106 62.999 63.100 0.009 0.000 0.793 613 P CB 0.917 32.581 31.700 -0.059 0.000 0.977 614 M N 0.760 120.387 119.600 0.046 0.000 2.277 614 M HA 0.260 4.738 4.480 -0.003 0.000 0.282 614 M C -1.363 174.954 176.300 0.029 0.000 1.074 614 M CA -0.233 55.088 55.300 0.035 0.000 0.954 614 M CB 1.978 34.608 32.600 0.048 0.000 1.672 614 M HN 0.122 nan 8.290 nan 0.000 0.471 615 T N 4.120 118.675 114.554 0.002 0.000 2.733 615 T HA 0.470 4.818 4.350 -0.003 0.000 0.294 615 T C -0.511 174.272 174.700 0.139 0.000 0.956 615 T CA -0.408 61.707 62.100 0.025 0.000 0.987 615 T CB 0.735 69.589 68.868 -0.023 0.000 0.920 615 T HN 0.458 nan 8.240 nan 0.000 0.470 616 V N 4.893 124.931 119.914 0.207 0.000 2.370 616 V HA 0.440 4.558 4.120 -0.003 0.000 0.279 616 V C 0.518 176.829 176.094 0.361 0.000 1.029 616 V CA -0.932 61.537 62.300 0.280 0.000 0.870 616 V CB 1.197 33.194 31.823 0.291 0.000 0.984 616 V HN 0.694 nan 8.190 nan 0.000 0.451 617 R N 3.911 124.608 120.500 0.328 0.000 2.229 617 R HA 0.323 4.661 4.340 -0.003 0.000 0.328 617 R C -0.916 175.624 176.300 0.400 0.000 1.009 617 R CA -0.417 55.884 56.100 0.336 0.000 0.864 617 R CB 0.561 31.006 30.300 0.243 0.000 1.085 617 R HN 0.604 nan 8.270 nan 0.000 0.453 618 Y N 2.271 122.666 120.300 0.159 0.000 2.279 618 Y HA -0.021 4.527 4.550 -0.003 0.000 0.350 618 Y C 0.758 176.718 175.900 0.099 0.000 1.288 618 Y CA -0.297 57.890 58.100 0.146 0.000 1.547 618 Y CB 0.255 38.791 38.460 0.128 0.000 1.381 618 Y HN 0.467 nan 8.280 nan 0.000 0.630 619 L N 1.921 123.239 121.223 0.158 0.000 2.615 619 L HA -0.042 4.296 4.340 -0.003 0.000 0.271 619 L C 0.664 177.573 176.870 0.063 0.000 1.183 619 L CA 0.623 55.458 54.840 -0.008 0.000 0.933 619 L CB -0.266 41.650 42.059 -0.239 0.000 1.199 619 L HN 0.744 nan 8.230 nan 0.000 0.487 620 D N 5.004 125.446 120.400 0.070 0.000 2.323 620 D HA 0.141 4.779 4.640 -0.003 0.000 0.218 620 D C -2.184 174.148 176.300 0.052 0.000 0.973 620 D CA 0.165 54.212 54.000 0.079 0.000 0.890 620 D CB -0.059 40.798 40.800 0.095 0.000 1.011 620 D HN 0.450 nan 8.370 nan 0.000 0.499 621 P HA 0.266 nan 4.420 nan 0.000 0.282 621 P C -2.707 174.569 177.300 -0.041 0.000 1.259 621 P CA -1.373 61.716 63.100 -0.018 0.000 0.826 621 P CB 1.061 32.720 31.700 -0.068 0.000 1.064 622 P HA 0.126 nan 4.420 nan 0.000 0.272 622 P C 1.125 178.409 177.300 -0.026 0.000 1.240 622 P CA -0.119 62.967 63.100 -0.023 0.000 0.791 622 P CB 0.887 32.593 31.700 0.009 0.000 0.978 623 L N -0.133 121.109 121.223 0.031 0.000 2.275 623 L HA -0.155 4.183 4.340 -0.003 0.000 0.215 623 L C 2.681 179.597 176.870 0.077 0.000 1.119 623 L CA 0.952 55.859 54.840 0.112 0.000 0.790 623 L CB -1.228 40.865 42.059 0.058 0.000 0.919 623 L HN 0.592 nan 8.230 nan 0.000 0.443 624 H N 1.529 120.589 119.070 -0.016 0.000 2.426 624 H HA -0.204 4.350 4.556 -0.003 0.000 0.298 624 H C 1.736 177.092 175.328 0.048 0.000 1.107 624 H CA 1.931 57.978 56.048 -0.001 0.000 1.298 624 H CB 0.269 30.037 29.762 0.009 0.000 1.377 624 H HN 0.501 nan 8.280 nan 0.000 0.519 625 E N -0.806 119.455 120.200 0.101 0.000 2.285 625 E HA -0.088 4.260 4.350 -0.003 0.000 0.194 625 E C 1.405 178.029 176.600 0.039 0.000 0.997 625 E CA 0.396 56.850 56.400 0.089 0.000 0.845 625 E CB 0.008 29.654 29.700 -0.090 0.000 0.782 625 E HN 0.406 nan 8.360 nan 0.000 0.491 626 F N 0.471 120.473 119.950 0.086 0.000 2.797 626 F HA 0.043 4.568 4.527 -0.003 0.000 0.302 626 F C 0.999 176.807 175.800 0.012 0.000 1.130 626 F CA -0.246 57.736 58.000 -0.030 0.000 1.387 626 F CB 0.016 38.893 39.000 -0.204 0.000 1.107 626 F HN -0.186 nan 8.300 nan 0.000 0.577 627 V N -1.286 118.700 119.914 0.120 0.000 2.716 627 V HA 0.548 4.666 4.120 -0.003 0.000 0.304 627 V C -2.397 173.705 176.094 0.012 0.000 1.053 627 V CA -2.614 59.676 62.300 -0.016 0.000 0.984 627 V CB 1.100 32.809 31.823 -0.189 0.000 1.021 627 V HN -0.196 nan 8.190 nan 0.000 0.467 628 P HA 0.261 nan 4.420 nan 0.000 0.271 628 P C -0.763 176.542 177.300 0.010 0.000 1.216 628 P CA 0.212 63.372 63.100 0.100 0.000 0.771 628 P CB 0.534 32.260 31.700 0.042 0.000 0.864 629 H N -1.067 117.999 119.070 -0.007 0.000 2.586 629 H HA 0.200 4.754 4.556 -0.003 0.000 0.273 629 H C 0.124 175.454 175.328 0.003 0.000 0.997 629 H CA 0.371 56.419 56.048 -0.000 0.000 1.177 629 H CB 0.061 29.844 29.762 0.035 0.000 1.471 629 H HN 0.296 nan 8.280 nan 0.000 0.538 630 T N 0.867 115.486 114.554 0.109 0.000 2.779 630 T HA 0.069 4.417 4.350 -0.003 0.000 0.280 630 T C 1.120 175.837 174.700 0.028 0.000 0.987 630 T CA -0.678 61.457 62.100 0.059 0.000 0.966 630 T CB 1.789 70.687 68.868 0.050 0.000 0.933 630 T HN 0.476 nan 8.240 nan 0.000 0.442 631 E N 2.542 122.752 120.200 0.016 0.000 2.253 631 E HA -0.335 4.013 4.350 -0.003 0.000 0.202 631 E C 1.571 178.173 176.600 0.004 0.000 1.014 631 E CA 1.678 58.080 56.400 0.004 0.000 0.823 631 E CB 0.031 29.732 29.700 0.002 0.000 0.736 631 E HN 0.827 nan 8.360 nan 0.000 0.478 632 E N 1.177 121.382 120.200 0.010 0.000 2.017 632 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 632 E C 2.076 178.681 176.600 0.009 0.000 0.997 632 E CA 1.438 57.843 56.400 0.008 0.000 0.804 632 E CB 0.043 29.749 29.700 0.010 0.000 0.757 632 E HN 0.405 nan 8.360 nan 0.000 0.448 633 E N 0.120 120.330 120.200 0.016 0.000 2.106 633 E HA -0.199 4.149 4.350 -0.003 0.000 0.192 633 E C 2.286 178.891 176.600 0.009 0.000 0.984 633 E CA 0.832 57.243 56.400 0.019 0.000 0.806 633 E CB -0.026 29.696 29.700 0.036 0.000 0.750 633 E HN 0.366 nan 8.360 nan 0.000 0.458 634 Q N 0.240 120.042 119.800 0.003 0.000 2.135 634 Q HA -0.186 4.152 4.340 -0.003 0.000 0.204 634 Q C 2.192 178.185 176.000 -0.012 0.000 0.981 634 Q CA 1.461 57.256 55.803 -0.013 0.000 0.856 634 Q CB -0.168 28.557 28.738 -0.023 0.000 0.902 634 Q HN 0.226 nan 8.270 nan 0.000 0.425 635 A N 0.963 123.779 122.820 -0.006 0.000 1.897 635 A HA -0.222 4.096 4.320 -0.003 0.000 0.215 635 A C 1.906 179.487 177.584 -0.005 0.000 1.181 635 A CA 1.429 53.463 52.037 -0.006 0.000 0.620 635 A CB -0.458 18.539 19.000 -0.004 0.000 0.821 635 A HN 0.420 nan 8.150 nan 0.000 0.443 636 E N -0.619 119.580 120.200 -0.002 0.000 2.077 636 E HA -0.209 4.139 4.350 -0.003 0.000 0.193 636 E C 1.865 178.462 176.600 -0.005 0.000 0.989 636 E CA 1.360 57.759 56.400 -0.002 0.000 0.800 636 E CB -0.176 29.526 29.700 0.002 0.000 0.746 636 E HN 0.430 nan 8.360 nan 0.000 0.452 637 L N 0.593 121.812 121.223 -0.006 0.000 2.056 637 L HA -0.027 4.311 4.340 -0.003 0.000 0.207 637 L C 2.266 179.127 176.870 -0.015 0.000 1.078 637 L CA 1.957 56.790 54.840 -0.011 0.000 0.749 637 L CB -0.615 41.436 42.059 -0.013 0.000 0.901 637 L HN 0.186 nan 8.230 nan 0.000 0.433 638 A N -0.739 122.073 122.820 -0.015 0.000 1.940 638 A HA -0.284 4.034 4.320 -0.003 0.000 0.219 638 A C 2.432 180.009 177.584 -0.012 0.000 1.176 638 A CA 2.023 54.051 52.037 -0.015 0.000 0.631 638 A CB -0.588 18.403 19.000 -0.014 0.000 0.814 638 A HN 0.467 nan 8.150 nan 0.000 0.446 639 K N -0.322 120.072 120.400 -0.010 0.000 2.057 639 K HA -0.153 4.165 4.320 -0.003 0.000 0.207 639 K C 1.535 178.129 176.600 -0.009 0.000 1.049 639 K CA 1.557 57.839 56.287 -0.008 0.000 0.931 639 K CB -0.147 32.349 32.500 -0.006 0.000 0.714 639 K HN 0.460 nan 8.250 nan 0.000 0.440 640 N N -0.009 118.684 118.700 -0.011 0.000 2.331 640 N HA -0.077 4.661 4.740 -0.003 0.000 0.180 640 N C 1.228 176.729 175.510 -0.015 0.000 1.019 640 N CA 1.077 54.119 53.050 -0.012 0.000 0.881 640 N CB 0.164 38.642 38.487 -0.014 0.000 0.972 640 N HN 0.315 nan 8.380 nan 0.000 0.435 641 M N -0.946 118.644 119.600 -0.016 0.000 2.313 641 M HA 0.217 4.695 4.480 -0.003 0.000 0.273 641 M C 0.289 176.580 176.300 -0.014 0.000 1.049 641 M CA -0.095 55.195 55.300 -0.017 0.000 1.004 641 M CB 1.030 33.617 32.600 -0.022 0.000 1.461 641 M HN 0.055 nan 8.290 nan 0.000 0.514 642 G N 2.462 111.255 108.800 -0.012 0.000 2.326 642 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.286 642 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.286 642 G C -0.557 174.337 174.900 -0.010 0.000 1.096 642 G CA -0.038 45.056 45.100 -0.009 0.000 1.003 642 G HN 0.404 nan 8.290 nan 0.000 0.503 643 L N -0.605 120.612 121.223 -0.011 0.000 2.257 643 L HA 0.807 5.145 4.340 -0.003 0.000 0.257 643 L C 1.079 177.943 176.870 -0.011 0.000 1.033 643 L CA -0.712 54.121 54.840 -0.012 0.000 0.835 643 L CB 2.062 44.112 42.059 -0.015 0.000 1.398 643 L HN 0.387 nan 8.230 nan 0.000 0.429 644 T N -1.638 112.910 114.554 -0.010 0.000 2.913 644 T HA 0.202 4.550 4.350 -0.003 0.000 0.287 644 T C 0.787 175.480 174.700 -0.012 0.000 1.008 644 T CA -0.583 61.511 62.100 -0.010 0.000 1.067 644 T CB 1.192 70.055 68.868 -0.008 0.000 0.996 644 T HN 0.472 nan 8.240 nan 0.000 0.513 645 L N 2.388 123.604 121.223 -0.012 0.000 2.127 645 L HA 0.076 4.414 4.340 -0.003 0.000 0.211 645 L C 2.603 179.463 176.870 -0.016 0.000 1.089 645 L CA 2.332 57.164 54.840 -0.014 0.000 0.757 645 L CB -1.493 40.559 42.059 -0.011 0.000 0.899 645 L HN 0.950 nan 8.230 nan 0.000 0.434 646 A N -0.663 122.149 122.820 -0.014 0.000 1.845 646 A HA -0.228 4.090 4.320 -0.003 0.000 0.215 646 A C 2.170 179.744 177.584 -0.017 0.000 1.195 646 A CA 1.738 53.767 52.037 -0.014 0.000 0.616 646 A CB -0.753 18.241 19.000 -0.010 0.000 0.832 646 A HN 0.565 nan 8.150 nan 0.000 0.443 647 E N -0.404 119.788 120.200 -0.015 0.000 2.130 647 E HA -0.166 4.182 4.350 -0.003 0.000 0.196 647 E C 1.998 178.585 176.600 -0.021 0.000 0.998 647 E CA 1.453 57.844 56.400 -0.015 0.000 0.806 647 E CB -0.326 29.366 29.700 -0.013 0.000 0.738 647 E HN 0.414 nan 8.360 nan 0.000 0.459 648 V N 1.250 121.149 119.914 -0.026 0.000 2.307 648 V HA -0.267 3.851 4.120 -0.003 0.000 0.245 648 V C 2.350 178.417 176.094 -0.045 0.000 1.045 648 V CA 1.911 64.190 62.300 -0.036 0.000 1.024 648 V CB -0.417 31.386 31.823 -0.035 0.000 0.651 648 V HN 0.187 nan 8.190 nan 0.000 0.449 649 K N 0.183 120.559 120.400 -0.040 0.000 2.152 649 K HA -0.181 4.137 4.320 -0.003 0.000 0.206 649 K C 2.141 178.716 176.600 -0.041 0.000 1.048 649 K CA 1.481 57.740 56.287 -0.046 0.000 0.933 649 K CB -0.310 32.169 32.500 -0.035 0.000 0.721 649 K HN 0.449 nan 8.250 nan 0.000 0.447 650 A N 1.133 123.936 122.820 -0.029 0.000 1.930 650 A HA -0.180 4.138 4.320 -0.003 0.000 0.217 650 A C 1.981 179.553 177.584 -0.019 0.000 1.175 650 A CA 1.787 53.812 52.037 -0.020 0.000 0.627 650 A CB -0.408 18.585 19.000 -0.011 0.000 0.815 650 A HN 0.240 nan 8.150 nan 0.000 0.443 651 K N -0.006 120.378 120.400 -0.027 0.000 2.057 651 K HA -0.045 4.273 4.320 -0.003 0.000 0.206 651 K C 1.685 178.258 176.600 -0.044 0.000 1.050 651 K CA 1.820 58.091 56.287 -0.028 0.000 0.935 651 K CB -0.761 31.718 32.500 -0.036 0.000 0.715 651 K HN 0.170 nan 8.250 nan 0.000 0.439 652 V N 1.472 121.338 119.914 -0.080 0.000 2.287 652 V HA -0.251 3.867 4.120 -0.003 0.000 0.248 652 V C 1.671 177.723 176.094 -0.070 0.000 1.053 652 V CA 2.345 64.559 62.300 -0.144 0.000 1.027 652 V CB -0.592 31.114 31.823 -0.195 0.000 0.646 652 V HN 0.366 nan 8.190 nan 0.000 0.447 653 D N -0.685 119.694 120.400 -0.035 0.000 2.178 653 D HA -0.141 4.497 4.640 -0.003 0.000 0.202 653 D C 2.161 178.493 176.300 0.053 0.000 0.974 653 D CA 1.138 55.142 54.000 0.008 0.000 0.841 653 D CB -0.117 40.663 40.800 -0.033 0.000 0.953 653 D HN 0.589 nan 8.370 nan 0.000 0.478 654 E N 0.212 120.431 120.200 0.031 0.000 2.058 654 E HA -0.157 4.191 4.350 -0.003 0.000 0.194 654 E C 1.895 178.538 176.600 0.072 0.000 0.997 654 E CA 0.801 57.226 56.400 0.043 0.000 0.801 654 E CB -0.093 29.627 29.700 0.034 0.000 0.746 654 E HN 0.246 nan 8.360 nan 0.000 0.450 655 L N 0.297 121.571 121.223 0.086 0.000 2.362 655 L HA -0.057 4.281 4.340 -0.003 0.000 0.219 655 L C 1.068 178.069 176.870 0.218 0.000 1.134 655 L CA 0.026 54.944 54.840 0.131 0.000 0.807 655 L CB -0.519 41.591 42.059 0.085 0.000 0.927 655 L HN 0.229 nan 8.230 nan 0.000 0.447 656 H N 1.886 121.035 119.070 0.132 0.000 3.034 656 H HA 0.061 4.615 4.556 -0.003 0.000 0.324 656 H C -0.348 174.884 175.328 -0.160 0.000 1.015 656 H CA 0.464 56.535 56.048 0.038 0.000 1.429 656 H CB 0.314 30.061 29.762 -0.026 0.000 1.429 656 H HN 0.145 nan 8.280 nan 0.000 0.585 657 E N 5.036 124.761 120.200 -0.792 0.000 2.218 657 E HA 0.072 4.420 4.350 -0.003 0.000 0.263 657 E C 0.131 176.378 176.600 -0.589 0.000 0.879 657 E CA -0.594 55.472 56.400 -0.556 0.000 0.762 657 E CB 1.055 30.599 29.700 -0.259 0.000 1.166 657 E HN 0.593 nan 8.360 nan 0.000 0.415 658 F N 1.250 121.053 119.950 -0.244 0.000 2.120 658 F HA -0.175 4.351 4.527 -0.003 0.000 0.300 658 F C 1.073 176.810 175.800 -0.106 0.000 1.095 658 F CA 1.070 58.988 58.000 -0.136 0.000 1.249 658 F CB 0.047 39.020 39.000 -0.045 0.000 0.995 658 F HN 0.303 nan 8.300 nan 0.000 0.480 659 N N 0.065 118.822 118.700 0.095 0.000 2.716 659 N HA 0.160 4.898 4.740 -0.003 0.000 0.253 659 N C -2.253 173.255 175.510 -0.004 0.000 1.170 659 N CA -0.949 52.129 53.050 0.045 0.000 0.807 659 N CB 1.412 39.942 38.487 0.072 0.000 1.183 659 N HN -0.087 nan 8.380 nan 0.000 0.524 660 P HA -0.106 nan 4.420 nan 0.000 0.220 660 P C 1.542 178.834 177.300 -0.014 0.000 1.144 660 P CA 0.884 63.946 63.100 -0.063 0.000 0.800 660 P CB 0.437 32.076 31.700 -0.102 0.000 0.772 661 M N -1.850 117.754 119.600 0.007 0.000 2.394 661 M HA -0.003 4.475 4.480 -0.003 0.000 0.264 661 M C 0.544 176.865 176.300 0.035 0.000 1.073 661 M CA 1.534 56.849 55.300 0.026 0.000 1.111 661 M CB -0.129 32.495 32.600 0.041 0.000 1.401 661 M HN -0.076 nan 8.290 nan 0.000 0.448 662 M N -0.275 119.346 119.600 0.034 0.000 3.189 662 M HA 0.297 4.775 4.480 -0.003 0.000 0.365 662 M C 0.112 176.436 176.300 0.040 0.000 1.447 662 M CA -0.546 54.777 55.300 0.038 0.000 0.739 662 M CB 0.921 33.544 32.600 0.039 0.000 1.411 662 M HN 0.046 nan 8.290 nan 0.000 0.494 663 G N -0.934 107.892 108.800 0.044 0.000 3.099 663 G HA2 0.244 4.202 3.960 -0.003 0.000 0.151 663 G HA3 0.244 4.202 3.960 -0.003 0.000 0.151 663 G C -0.933 174.036 174.900 0.115 0.000 1.265 663 G CA -0.428 44.709 45.100 0.061 0.000 0.981 663 G HN 0.578 nan 8.290 nan 0.000 0.601 664 H N 0.926 119.999 119.070 0.005 0.000 2.914 664 H HA 0.464 5.018 4.556 -0.003 0.000 0.264 664 H C 0.448 175.796 175.328 0.032 0.000 1.433 664 H CA -0.512 55.542 56.048 0.009 0.000 1.342 664 H CB -0.288 29.483 29.762 0.015 0.000 1.582 664 H HN 0.495 nan 8.280 nan 0.000 0.525 665 R N 2.331 122.922 120.500 0.152 0.000 2.781 665 R HA 0.501 4.839 4.340 -0.003 0.000 0.268 665 R C 0.112 176.464 176.300 0.086 0.000 1.047 665 R CA -0.409 55.729 56.100 0.063 0.000 0.925 665 R CB 0.427 30.753 30.300 0.043 0.000 1.246 665 R HN 0.535 nan 8.270 nan 0.000 0.456 666 G N 0.436 109.280 108.800 0.073 0.000 2.651 666 G HA2 -0.484 3.474 3.960 -0.003 0.000 0.315 666 G HA3 -0.484 3.474 3.960 -0.003 0.000 0.315 666 G C 1.063 176.024 174.900 0.102 0.000 1.258 666 G CA 0.748 45.901 45.100 0.089 0.000 1.002 666 G HN 0.999 nan 8.290 nan 0.000 0.551 667 C N 1.218 120.571 119.300 0.088 0.000 2.413 667 C HA 0.030 4.488 4.460 -0.003 0.000 0.276 667 C C 3.155 178.195 174.990 0.083 0.000 1.248 667 C CA 2.263 61.332 59.018 0.085 0.000 1.742 667 C CB -1.579 26.194 27.740 0.055 0.000 2.017 667 C HN 0.666 nan 8.230 nan 0.000 0.481 668 R N -0.045 120.503 120.500 0.079 0.000 2.200 668 R HA -0.093 4.245 4.340 -0.003 0.000 0.234 668 R C 1.905 178.315 176.300 0.183 0.000 1.127 668 R CA 1.299 57.444 56.100 0.075 0.000 0.989 668 R CB -0.421 29.934 30.300 0.092 0.000 0.869 668 R HN 0.488 nan 8.270 nan 0.000 0.459 669 L N 0.087 121.430 121.223 0.200 0.000 2.162 669 L HA 0.103 4.441 4.340 -0.003 0.000 0.205 669 L C 2.150 179.108 176.870 0.147 0.000 1.086 669 L CA 1.402 56.328 54.840 0.143 0.000 0.778 669 L CB -0.361 41.715 42.059 0.029 0.000 0.928 669 L HN 0.099 nan 8.230 nan 0.000 0.446 670 A N -1.289 121.627 122.820 0.160 0.000 2.015 670 A HA -0.093 4.225 4.320 -0.003 0.000 0.219 670 A C 2.207 179.928 177.584 0.230 0.000 1.163 670 A CA 1.639 53.802 52.037 0.210 0.000 0.646 670 A CB -0.849 18.284 19.000 0.222 0.000 0.806 670 A HN 0.268 nan 8.150 nan 0.000 0.448 671 V N 0.516 120.492 119.914 0.103 0.000 2.307 671 V HA -0.233 3.885 4.120 -0.003 0.000 0.245 671 V C 3.044 179.068 176.094 -0.118 0.000 1.045 671 V CA 2.503 64.737 62.300 -0.109 0.000 1.024 671 V CB -1.273 30.332 31.823 -0.364 0.000 0.651 671 V HN 0.841 nan 8.190 nan 0.000 0.449 672 T N -2.074 112.369 114.554 -0.185 0.000 2.851 672 T HA -0.125 4.223 4.350 -0.003 0.000 0.262 672 T C 0.825 175.362 174.700 -0.271 0.000 1.043 672 T CA 1.031 62.912 62.100 -0.366 0.000 1.140 672 T CB -0.340 68.116 68.868 -0.687 0.000 0.872 672 T HN 0.398 nan 8.240 nan 0.000 0.446 673 Y N 1.624 122.022 120.300 0.163 0.000 2.726 673 Y HA 0.469 5.017 4.550 -0.003 0.000 0.367 673 Y C -2.146 173.839 175.900 0.142 0.000 1.038 673 Y CA -3.829 54.349 58.100 0.129 0.000 1.174 673 Y CB 0.613 39.125 38.460 0.087 0.000 1.265 673 Y HN 0.153 nan 8.280 nan 0.000 0.622 674 P HA -0.223 nan 4.420 nan 0.000 0.217 674 P C 1.014 178.425 177.300 0.184 0.000 1.151 674 P CA 1.784 65.024 63.100 0.232 0.000 0.849 674 P CB 0.461 32.270 31.700 0.182 0.000 0.787 675 E N -0.668 119.635 120.200 0.172 0.000 2.169 675 E HA -0.211 4.137 4.350 -0.003 0.000 0.202 675 E C 1.917 178.589 176.600 0.121 0.000 1.016 675 E CA 1.125 57.600 56.400 0.124 0.000 0.817 675 E CB -1.125 28.638 29.700 0.104 0.000 0.736 675 E HN 0.328 nan 8.360 nan 0.000 0.462 676 I N 0.629 121.290 120.570 0.151 0.000 2.113 676 I HA -0.319 3.849 4.170 -0.003 0.000 0.238 676 I C 2.426 178.637 176.117 0.156 0.000 1.070 676 I CA 1.202 62.584 61.300 0.137 0.000 1.332 676 I CB -0.541 37.536 38.000 0.128 0.000 1.044 676 I HN 0.156 nan 8.210 nan 0.000 0.402 677 A N 1.160 124.109 122.820 0.215 0.000 1.851 677 A HA -0.276 4.042 4.320 -0.003 0.000 0.216 677 A C 2.291 180.025 177.584 0.251 0.000 1.195 677 A CA 2.144 54.376 52.037 0.325 0.000 0.622 677 A CB -0.732 18.468 19.000 0.333 0.000 0.831 677 A HN 0.350 nan 8.150 nan 0.000 0.444 678 K N -1.195 119.301 120.400 0.160 0.000 2.097 678 K HA -0.273 4.045 4.320 -0.003 0.000 0.214 678 K C 2.185 178.834 176.600 0.082 0.000 1.052 678 K CA 1.927 58.273 56.287 0.100 0.000 0.932 678 K CB -0.410 32.131 32.500 0.068 0.000 0.716 678 K HN 0.558 nan 8.250 nan 0.000 0.455 679 M N 1.426 121.072 119.600 0.077 0.000 2.099 679 M HA -0.196 4.282 4.480 -0.003 0.000 0.262 679 M C 1.936 178.261 176.300 0.041 0.000 1.067 679 M CA 1.772 57.104 55.300 0.053 0.000 1.124 679 M CB -0.474 32.157 32.600 0.052 0.000 1.353 679 M HN 0.184 nan 8.290 nan 0.000 0.410 680 Q N -0.734 119.073 119.800 0.013 0.000 2.170 680 Q HA -0.137 4.201 4.340 -0.003 0.000 0.203 680 Q C 1.785 177.744 176.000 -0.068 0.000 0.976 680 Q CA 2.153 57.895 55.803 -0.102 0.000 0.858 680 Q CB -0.166 28.268 28.738 -0.506 0.000 0.907 680 Q HN 0.582 nan 8.270 nan 0.000 0.433 681 T N 0.451 115.047 114.554 0.069 0.000 2.777 681 T HA -0.143 4.205 4.350 -0.003 0.000 0.266 681 T C 1.714 176.421 174.700 0.011 0.000 1.040 681 T CA 1.146 63.312 62.100 0.110 0.000 1.141 681 T CB -0.138 68.805 68.868 0.125 0.000 0.868 681 T HN 0.267 nan 8.240 nan 0.000 0.444 682 R N 1.095 121.608 120.500 0.022 0.000 2.082 682 R HA -0.084 4.254 4.340 -0.003 0.000 0.234 682 R C 2.657 178.972 176.300 0.025 0.000 1.136 682 R CA 1.607 57.715 56.100 0.014 0.000 0.935 682 R CB -0.601 29.714 30.300 0.025 0.000 0.842 682 R HN 0.349 nan 8.270 nan 0.000 0.430 683 A N 0.217 123.074 122.820 0.062 0.000 1.873 683 A HA -0.176 4.142 4.320 -0.003 0.000 0.218 683 A C 2.328 179.975 177.584 0.104 0.000 1.193 683 A CA 2.033 54.159 52.037 0.148 0.000 0.629 683 A CB -0.899 18.259 19.000 0.263 0.000 0.826 683 A HN 0.263 nan 8.150 nan 0.000 0.447 684 V N -0.260 119.556 119.914 -0.162 0.000 2.255 684 V HA -0.304 3.814 4.120 -0.003 0.000 0.247 684 V C 2.718 178.722 176.094 -0.150 0.000 1.051 684 V CA 2.176 64.162 62.300 -0.522 0.000 1.018 684 V CB -0.661 30.828 31.823 -0.557 0.000 0.641 684 V HN 0.513 nan 8.190 nan 0.000 0.445 685 M N -0.630 118.914 119.600 -0.094 0.000 2.132 685 M HA -0.126 4.352 4.480 -0.003 0.000 0.263 685 M C 2.148 178.427 176.300 -0.036 0.000 1.065 685 M CA 1.475 56.732 55.300 -0.070 0.000 1.122 685 M CB -1.287 31.262 32.600 -0.085 0.000 1.365 685 M HN 0.435 nan 8.290 nan 0.000 0.411 686 E N 0.048 120.245 120.200 -0.005 0.000 2.072 686 E HA -0.117 4.231 4.350 -0.003 0.000 0.191 686 E C 2.085 178.708 176.600 0.037 0.000 0.985 686 E CA 1.209 57.617 56.400 0.013 0.000 0.801 686 E CB -0.096 29.620 29.700 0.027 0.000 0.750 686 E HN 0.483 nan 8.360 nan 0.000 0.452 687 A N 1.638 124.512 122.820 0.092 0.000 1.883 687 A HA -0.195 4.123 4.320 -0.003 0.000 0.217 687 A C 2.379 180.041 177.584 0.130 0.000 1.186 687 A CA 1.988 54.134 52.037 0.181 0.000 0.624 687 A CB -0.652 18.557 19.000 0.348 0.000 0.822 687 A HN 0.308 nan 8.150 nan 0.000 0.444 688 A N -0.169 122.646 122.820 -0.008 0.000 1.855 688 A HA -0.032 4.286 4.320 -0.003 0.000 0.215 688 A C 2.131 179.592 177.584 -0.204 0.000 1.191 688 A CA 1.414 53.234 52.037 -0.361 0.000 0.613 688 A CB -0.676 18.011 19.000 -0.521 0.000 0.829 688 A HN 0.472 nan 8.150 nan 0.000 0.442 689 I N -0.358 120.145 120.570 -0.113 0.000 2.118 689 I HA -0.342 3.826 4.170 -0.003 0.000 0.241 689 I C 2.605 178.691 176.117 -0.052 0.000 1.070 689 I CA 2.010 63.265 61.300 -0.074 0.000 1.327 689 I CB -0.469 37.507 38.000 -0.040 0.000 1.034 689 I HN 0.459 nan 8.210 nan 0.000 0.405 690 E N 0.172 120.357 120.200 -0.025 0.000 2.038 690 E HA -0.206 4.142 4.350 -0.003 0.000 0.195 690 E C 2.289 178.884 176.600 -0.007 0.000 1.000 690 E CA 1.698 58.094 56.400 -0.007 0.000 0.803 690 E CB -0.065 29.644 29.700 0.015 0.000 0.750 690 E HN 0.278 nan 8.360 nan 0.000 0.448 691 V N 1.777 121.690 119.914 -0.002 0.000 2.490 691 V HA -0.251 3.867 4.120 -0.003 0.000 0.250 691 V C 2.368 178.446 176.094 -0.027 0.000 1.061 691 V CA 1.421 63.726 62.300 0.007 0.000 1.064 691 V CB -0.511 31.343 31.823 0.052 0.000 0.670 691 V HN 0.209 nan 8.190 nan 0.000 0.461 692 K N 0.629 120.988 120.400 -0.068 0.000 2.009 692 K HA -0.226 4.092 4.320 -0.003 0.000 0.210 692 K C 2.102 178.678 176.600 -0.039 0.000 1.049 692 K CA 2.065 58.311 56.287 -0.069 0.000 0.929 692 K CB -0.253 32.191 32.500 -0.093 0.000 0.714 692 K HN 0.611 nan 8.250 nan 0.000 0.440 693 E N 0.339 120.520 120.200 -0.032 0.000 2.077 693 E HA -0.183 4.165 4.350 -0.003 0.000 0.193 693 E C 2.040 178.632 176.600 -0.013 0.000 0.989 693 E CA 1.275 57.663 56.400 -0.021 0.000 0.800 693 E CB -0.025 29.665 29.700 -0.017 0.000 0.746 693 E HN 0.443 nan 8.360 nan 0.000 0.452 694 E N -0.419 119.775 120.200 -0.009 0.000 2.150 694 E HA -0.125 4.223 4.350 -0.003 0.000 0.193 694 E C 1.850 178.449 176.600 -0.001 0.000 0.985 694 E CA 1.625 58.024 56.400 -0.002 0.000 0.814 694 E CB 0.130 29.834 29.700 0.006 0.000 0.752 694 E HN 0.332 nan 8.360 nan 0.000 0.466 695 T N -5.038 109.513 114.554 -0.004 0.000 2.975 695 T HA 0.322 4.670 4.350 -0.003 0.000 0.261 695 T C 1.555 176.250 174.700 -0.008 0.000 0.984 695 T CA 0.318 62.416 62.100 -0.002 0.000 0.911 695 T CB 0.997 69.867 68.868 0.004 0.000 1.127 695 T HN 0.220 nan 8.240 nan 0.000 0.514 696 G N 2.074 110.865 108.800 -0.015 0.000 2.220 696 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.269 696 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.269 696 G C 0.139 175.025 174.900 -0.022 0.000 0.977 696 G CA 0.240 45.329 45.100 -0.018 0.000 0.634 696 G HN 0.691 nan 8.290 nan 0.000 0.539 697 I N 1.876 122.434 120.570 -0.020 0.000 2.587 697 I HA 0.089 4.257 4.170 -0.003 0.000 0.284 697 I C 0.742 176.833 176.117 -0.042 0.000 1.134 697 I CA -0.228 61.059 61.300 -0.022 0.000 1.410 697 I CB 0.427 38.421 38.000 -0.009 0.000 1.392 697 I HN 0.098 nan 8.210 nan 0.000 0.545 698 D N 7.462 127.838 120.400 -0.041 0.000 2.399 698 D HA 0.344 4.982 4.640 -0.003 0.000 0.241 698 D C -0.439 175.814 176.300 -0.078 0.000 1.133 698 D CA 0.359 54.325 54.000 -0.057 0.000 0.890 698 D CB 0.953 41.727 40.800 -0.043 0.000 1.201 698 D HN 0.285 nan 8.370 nan 0.000 0.432 699 I N 1.836 122.336 120.570 -0.115 0.000 2.686 699 I HA 0.159 4.327 4.170 -0.003 0.000 0.295 699 I C -0.645 175.394 176.117 -0.129 0.000 1.114 699 I CA -0.970 60.235 61.300 -0.158 0.000 1.038 699 I CB 2.536 40.324 38.000 -0.354 0.000 1.238 699 I HN 0.041 nan 8.210 nan 0.000 0.420 700 V N 6.308 126.169 119.914 -0.088 0.000 2.276 700 V HA 0.283 4.401 4.120 -0.003 0.000 0.268 700 V C -2.343 173.740 176.094 -0.018 0.000 1.032 700 V CA -1.566 60.686 62.300 -0.080 0.000 0.810 700 V CB 0.861 32.643 31.823 -0.069 0.000 1.060 700 V HN 0.535 nan 8.190 nan 0.000 0.446 701 P HA 0.220 nan 4.420 nan 0.000 0.268 701 P C -0.316 177.064 177.300 0.133 0.000 1.204 701 P CA 0.129 63.288 63.100 0.098 0.000 0.768 701 P CB 0.705 32.447 31.700 0.070 0.000 0.842 702 E N 2.275 122.564 120.200 0.148 0.000 2.155 702 E HA 0.410 4.758 4.350 -0.003 0.000 0.264 702 E C -0.503 176.256 176.600 0.265 0.000 0.886 702 E CA -0.428 56.081 56.400 0.182 0.000 0.752 702 E CB 1.060 30.712 29.700 -0.080 0.000 1.133 702 E HN 0.370 nan 8.360 nan 0.000 0.414 703 I N 3.964 124.749 120.570 0.358 0.000 2.330 703 I HA 0.315 4.483 4.170 -0.003 0.000 0.289 703 I C -0.375 175.892 176.117 0.251 0.000 1.001 703 I CA -0.425 61.019 61.300 0.240 0.000 1.193 703 I CB 1.074 39.097 38.000 0.038 0.000 1.345 703 I HN 0.411 nan 8.210 nan 0.000 0.461 704 M N 7.402 127.156 119.600 0.257 0.000 2.243 704 M HA 0.508 4.986 4.480 -0.003 0.000 0.324 704 M C -1.266 175.069 176.300 0.059 0.000 1.031 704 M CA -0.724 54.723 55.300 0.246 0.000 0.949 704 M CB 1.301 34.172 32.600 0.451 0.000 1.615 704 M HN 0.335 nan 8.290 nan 0.000 0.430 705 I N 7.628 128.178 120.570 -0.033 0.000 2.315 705 I HA 0.425 4.593 4.170 -0.003 0.000 0.291 705 I C -2.171 173.971 176.117 0.042 0.000 1.006 705 I CA -2.351 58.934 61.300 -0.025 0.000 1.265 705 I CB 0.609 38.571 38.000 -0.063 0.000 1.387 705 I HN 0.493 nan 8.210 nan 0.000 0.475 706 P HA 0.247 nan 4.420 nan 0.000 0.278 706 P C -0.017 177.321 177.300 0.063 0.000 1.258 706 P CA -0.565 62.588 63.100 0.088 0.000 0.811 706 P CB 1.245 33.014 31.700 0.115 0.000 1.063 707 L N -1.648 119.607 121.223 0.054 0.000 3.879 707 L HA -0.169 4.169 4.340 -0.003 0.000 0.481 707 L C -0.171 176.714 176.870 0.025 0.000 1.232 707 L CA 0.114 54.978 54.840 0.040 0.000 0.736 707 L CB -1.760 40.329 42.059 0.050 0.000 1.511 707 L HN 0.132 nan 8.230 nan 0.000 0.830 708 V N -0.366 119.552 119.914 0.006 0.000 2.539 708 V HA 0.592 4.710 4.120 -0.003 0.000 0.292 708 V C 1.234 177.317 176.094 -0.018 0.000 1.045 708 V CA 0.651 62.948 62.300 -0.006 0.000 0.945 708 V CB 1.550 33.363 31.823 -0.018 0.000 0.993 708 V HN 0.517 nan 8.190 nan 0.000 0.464 709 G N 2.688 111.479 108.800 -0.015 0.000 3.215 709 G HA2 0.348 4.306 3.960 -0.003 0.000 0.236 709 G HA3 0.348 4.306 3.960 -0.003 0.000 0.236 709 G C 0.029 174.918 174.900 -0.018 0.000 1.029 709 G CA 0.164 45.252 45.100 -0.020 0.000 0.909 709 G HN 0.623 nan 8.290 nan 0.000 0.543 710 E N 0.344 120.537 120.200 -0.012 0.000 2.304 710 E HA 0.342 4.690 4.350 -0.003 0.000 0.277 710 E C 0.901 177.505 176.600 0.008 0.000 0.898 710 E CA -0.794 55.603 56.400 -0.005 0.000 0.764 710 E CB 1.708 31.402 29.700 -0.009 0.000 1.216 710 E HN -0.061 nan 8.360 nan 0.000 0.419 711 K N 3.440 123.849 120.400 0.015 0.000 2.049 711 K HA -0.278 4.040 4.320 -0.003 0.000 0.219 711 K C 1.001 177.621 176.600 0.034 0.000 1.056 711 K CA 2.261 58.564 56.287 0.027 0.000 0.946 711 K CB -0.008 32.509 32.500 0.028 0.000 0.723 711 K HN 0.516 nan 8.250 nan 0.000 0.453 712 K N 0.319 120.739 120.400 0.032 0.000 2.209 712 K HA -0.179 4.139 4.320 -0.003 0.000 0.204 712 K C 2.162 178.805 176.600 0.073 0.000 1.048 712 K CA 1.425 57.742 56.287 0.049 0.000 0.940 712 K CB -0.056 32.467 32.500 0.038 0.000 0.729 712 K HN 0.391 nan 8.250 nan 0.000 0.451 713 E N 1.163 121.388 120.200 0.042 0.000 2.023 713 E HA -0.239 4.109 4.350 -0.003 0.000 0.196 713 E C 1.997 178.653 176.600 0.093 0.000 1.003 713 E CA 1.135 57.559 56.400 0.040 0.000 0.809 713 E CB -0.051 29.650 29.700 0.003 0.000 0.755 713 E HN 0.114 nan 8.360 nan 0.000 0.449 714 L N 1.641 122.900 121.223 0.061 0.000 2.079 714 L HA -0.190 4.148 4.340 -0.003 0.000 0.210 714 L C 2.268 179.180 176.870 0.070 0.000 1.081 714 L CA 2.014 56.885 54.840 0.052 0.000 0.752 714 L CB -0.518 41.555 42.059 0.022 0.000 0.896 714 L HN 0.068 nan 8.230 nan 0.000 0.433 715 K N -1.417 119.031 120.400 0.080 0.000 2.057 715 K HA -0.242 4.076 4.320 -0.003 0.000 0.206 715 K C 2.216 178.869 176.600 0.089 0.000 1.050 715 K CA 1.640 57.967 56.287 0.067 0.000 0.935 715 K CB -0.436 32.101 32.500 0.061 0.000 0.715 715 K HN 0.339 nan 8.250 nan 0.000 0.439 716 F N 1.278 121.227 119.950 -0.002 0.000 2.065 716 F HA -0.292 4.233 4.527 -0.003 0.000 0.298 716 F C 1.809 177.612 175.800 0.004 0.000 1.112 716 F CA 1.785 59.786 58.000 0.002 0.000 1.212 716 F CB -0.365 38.634 39.000 -0.001 0.000 0.975 716 F HN -0.191 nan 8.300 nan 0.000 0.476 717 V N 0.740 120.783 119.914 0.214 0.000 2.307 717 V HA -0.289 3.829 4.120 -0.003 0.000 0.245 717 V C 2.415 178.490 176.094 -0.032 0.000 1.045 717 V CA 2.164 64.525 62.300 0.102 0.000 1.024 717 V CB -0.914 30.998 31.823 0.148 0.000 0.651 717 V HN 0.357 nan 8.190 nan 0.000 0.449 718 K N 0.180 120.569 120.400 -0.019 0.000 2.059 718 K HA -0.310 4.008 4.320 -0.003 0.000 0.212 718 K C 1.900 178.471 176.600 -0.048 0.000 1.050 718 K CA 2.346 58.612 56.287 -0.034 0.000 0.927 718 K CB -0.371 32.124 32.500 -0.009 0.000 0.714 718 K HN 0.447 nan 8.250 nan 0.000 0.447 719 D N 0.204 120.557 120.400 -0.078 0.000 2.106 719 D HA -0.168 4.470 4.640 -0.003 0.000 0.191 719 D C 2.038 178.269 176.300 -0.116 0.000 0.997 719 D CA 1.666 55.607 54.000 -0.098 0.000 0.834 719 D CB -0.363 40.347 40.800 -0.150 0.000 0.956 719 D HN 0.110 nan 8.370 nan 0.000 0.448 720 V N 0.959 120.767 119.914 -0.176 0.000 2.219 720 V HA -0.259 3.859 4.120 -0.003 0.000 0.248 720 V C 2.774 178.828 176.094 -0.067 0.000 1.053 720 V CA 1.459 63.676 62.300 -0.138 0.000 1.009 720 V CB -0.898 30.840 31.823 -0.141 0.000 0.636 720 V HN 0.041 nan 8.190 nan 0.000 0.445 721 V N -0.225 119.657 119.914 -0.054 0.000 2.282 721 V HA -0.259 3.859 4.120 -0.003 0.000 0.249 721 V C 2.452 178.490 176.094 -0.094 0.000 1.057 721 V CA 2.150 64.419 62.300 -0.052 0.000 1.032 721 V CB -0.575 31.198 31.823 -0.082 0.000 0.645 721 V HN 0.416 nan 8.190 nan 0.000 0.447 722 V N -0.311 119.566 119.914 -0.061 0.000 2.332 722 V HA -0.327 3.791 4.120 -0.003 0.000 0.248 722 V C 2.418 178.505 176.094 -0.012 0.000 1.055 722 V CA 2.408 64.700 62.300 -0.013 0.000 1.038 722 V CB -0.620 31.249 31.823 0.076 0.000 0.651 722 V HN 0.657 nan 8.190 nan 0.000 0.450 723 E N -0.008 120.178 120.200 -0.022 0.000 2.038 723 E HA -0.209 4.139 4.350 -0.003 0.000 0.195 723 E C 2.167 178.755 176.600 -0.021 0.000 1.000 723 E CA 1.951 58.341 56.400 -0.016 0.000 0.803 723 E CB -0.072 29.610 29.700 -0.030 0.000 0.750 723 E HN 0.427 nan 8.360 nan 0.000 0.448 724 V N 1.094 120.987 119.914 -0.035 0.000 2.295 724 V HA -0.266 3.852 4.120 -0.003 0.000 0.246 724 V C 2.429 178.487 176.094 -0.059 0.000 1.049 724 V CA 1.796 64.076 62.300 -0.033 0.000 1.024 724 V CB -0.926 30.887 31.823 -0.017 0.000 0.648 724 V HN 0.449 nan 8.190 nan 0.000 0.447 725 A N -0.272 122.471 122.820 -0.129 0.000 1.883 725 A HA -0.236 4.082 4.320 -0.003 0.000 0.217 725 A C 2.193 179.731 177.584 -0.076 0.000 1.186 725 A CA 1.847 53.755 52.037 -0.216 0.000 0.624 725 A CB -0.485 18.138 19.000 -0.628 0.000 0.822 725 A HN 0.527 nan 8.150 nan 0.000 0.444 726 E N -0.694 119.505 120.200 -0.001 0.000 2.204 726 E HA -0.207 4.141 4.350 -0.003 0.000 0.194 726 E C 2.102 178.721 176.600 0.031 0.000 0.989 726 E CA 1.420 57.860 56.400 0.068 0.000 0.824 726 E CB -0.256 29.496 29.700 0.085 0.000 0.756 726 E HN 0.750 nan 8.360 nan 0.000 0.477 727 Q N 0.865 120.670 119.800 0.008 0.000 1.993 727 Q HA -0.108 4.230 4.340 -0.003 0.000 0.202 727 Q C 2.219 178.220 176.000 0.003 0.000 0.984 727 Q CA 1.573 57.378 55.803 0.004 0.000 0.837 727 Q CB -0.406 28.331 28.738 -0.002 0.000 0.902 727 Q HN 0.096 nan 8.270 nan 0.000 0.423 728 V N 1.020 120.930 119.914 -0.006 0.000 2.392 728 V HA -0.294 3.824 4.120 -0.003 0.000 0.249 728 V C 2.192 178.287 176.094 0.000 0.000 1.059 728 V CA 2.222 64.518 62.300 -0.007 0.000 1.051 728 V CB -0.601 31.210 31.823 -0.020 0.000 0.658 728 V HN 0.365 nan 8.190 nan 0.000 0.455 729 K N 0.182 120.588 120.400 0.012 0.000 2.026 729 K HA -0.234 4.084 4.320 -0.003 0.000 0.208 729 K C 2.305 178.914 176.600 0.015 0.000 1.048 729 K CA 1.770 58.072 56.287 0.024 0.000 0.929 729 K CB -0.257 32.278 32.500 0.057 0.000 0.713 729 K HN 0.394 nan 8.250 nan 0.000 0.439 730 K N 1.630 122.039 120.400 0.015 0.000 2.009 730 K HA -0.216 4.102 4.320 -0.003 0.000 0.210 730 K C 1.815 178.418 176.600 0.005 0.000 1.049 730 K CA 1.807 58.100 56.287 0.010 0.000 0.929 730 K CB 0.025 32.531 32.500 0.010 0.000 0.714 730 K HN 0.148 nan 8.250 nan 0.000 0.440 731 E N 0.128 120.331 120.200 0.004 0.000 2.118 731 E HA -0.177 4.171 4.350 -0.003 0.000 0.195 731 E C 1.369 177.969 176.600 0.000 0.000 0.992 731 E CA 1.222 57.623 56.400 0.002 0.000 0.804 731 E CB 0.106 29.807 29.700 0.001 0.000 0.741 731 E HN 0.285 nan 8.360 nan 0.000 0.458 732 K N -0.529 119.871 120.400 -0.000 0.000 2.373 732 K HA 0.134 4.452 4.320 -0.003 0.000 0.202 732 K C 0.350 176.948 176.600 -0.004 0.000 1.025 732 K CA 0.333 56.618 56.287 -0.003 0.000 1.115 732 K CB 1.267 33.764 32.500 -0.005 0.000 0.858 732 K HN 0.153 nan 8.250 nan 0.000 0.525 733 G N 2.361 111.160 108.800 -0.001 0.000 2.372 733 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.297 733 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.297 733 G C -0.269 174.629 174.900 -0.004 0.000 1.005 733 G CA 0.691 45.790 45.100 -0.002 0.000 1.173 733 G HN 0.267 nan 8.290 nan 0.000 0.511 734 S N -0.630 115.069 115.700 -0.002 0.000 2.568 734 S HA 0.626 5.094 4.470 -0.003 0.000 0.302 734 S C 0.565 175.164 174.600 -0.001 0.000 1.082 734 S CA 0.026 58.223 58.200 -0.006 0.000 1.009 734 S CB 1.224 64.419 63.200 -0.009 0.000 1.069 734 S HN 0.520 nan 8.310 nan 0.000 0.500 735 D N 2.526 122.919 120.400 -0.012 0.000 2.501 735 D HA 0.071 4.709 4.640 -0.003 0.000 0.226 735 D C 0.471 176.752 176.300 -0.032 0.000 1.198 735 D CA -0.310 53.678 54.000 -0.019 0.000 0.830 735 D CB -0.265 40.520 40.800 -0.025 0.000 1.014 735 D HN 0.492 nan 8.370 nan 0.000 0.496 736 M N 1.353 120.941 119.600 -0.020 0.000 2.284 736 M HA -0.023 4.455 4.480 -0.003 0.000 0.351 736 M C -0.165 176.109 176.300 -0.045 0.000 1.443 736 M CA 0.230 55.511 55.300 -0.032 0.000 1.031 736 M CB 0.585 33.173 32.600 -0.020 0.000 1.893 736 M HN -0.130 nan 8.290 nan 0.000 0.456 737 Q N 4.705 124.433 119.800 -0.119 0.000 2.340 737 Q HA 0.277 4.615 4.340 -0.003 0.000 0.249 737 Q C -1.327 174.530 176.000 -0.238 0.000 0.957 737 Q CA 0.256 55.904 55.803 -0.257 0.000 0.882 737 Q CB 1.063 29.648 28.738 -0.255 0.000 1.235 737 Q HN 0.723 nan 8.270 nan 0.000 0.439 738 Y N -1.687 118.444 120.300 -0.282 0.000 2.615 738 Y HA 0.626 5.174 4.550 -0.003 0.000 0.341 738 Y C -0.917 174.778 175.900 -0.341 0.000 1.089 738 Y CA -1.189 56.741 58.100 -0.283 0.000 1.049 738 Y CB 1.324 39.722 38.460 -0.102 0.000 1.296 738 Y HN 0.444 nan 8.280 nan 0.000 0.470 739 H N 2.076 121.335 119.070 0.315 0.000 2.717 739 H HA 0.610 5.164 4.556 -0.003 0.000 0.366 739 H C -1.181 174.371 175.328 0.374 0.000 1.132 739 H CA -1.140 55.081 56.048 0.288 0.000 1.180 739 H CB 2.560 32.481 29.762 0.265 0.000 1.678 739 H HN 0.760 nan 8.280 nan 0.000 0.537 740 I N 1.609 122.409 120.570 0.383 0.000 2.433 740 I HA 0.533 4.701 4.170 -0.003 0.000 0.292 740 I C 0.724 176.741 176.117 -0.167 0.000 1.001 740 I CA -0.449 60.947 61.300 0.160 0.000 1.119 740 I CB 2.025 40.068 38.000 0.072 0.000 1.289 740 I HN 0.612 nan 8.210 nan 0.000 0.438 741 G N 2.915 111.288 108.800 -0.712 0.000 3.176 741 G HA2 0.694 4.652 3.960 -0.003 0.000 0.272 741 G HA3 0.694 4.652 3.960 -0.003 0.000 0.272 741 G C -1.277 173.185 174.900 -0.731 0.000 1.349 741 G CA -0.377 43.856 45.100 -1.444 0.000 0.953 741 G HN 0.463 nan 8.290 nan 0.000 0.559 742 T N -0.716 113.533 114.554 -0.508 0.000 2.883 742 T HA 0.543 4.891 4.350 -0.003 0.000 0.301 742 T C -0.455 174.219 174.700 -0.043 0.000 1.158 742 T CA -0.665 61.342 62.100 -0.154 0.000 1.007 742 T CB 1.408 70.231 68.868 -0.075 0.000 1.186 742 T HN 0.336 nan 8.240 nan 0.000 0.499 743 M N 3.275 122.879 119.600 0.006 0.000 2.235 743 M HA 0.366 4.844 4.480 -0.003 0.000 0.351 743 M C -0.350 175.912 176.300 -0.065 0.000 1.178 743 M CA -0.473 54.840 55.300 0.022 0.000 1.143 743 M CB 0.824 33.468 32.600 0.074 0.000 1.530 743 M HN 0.480 nan 8.290 nan 0.000 0.461 744 I N 3.696 124.218 120.570 -0.080 0.000 2.479 744 I HA 0.151 4.319 4.170 -0.003 0.000 0.279 744 I C 0.952 177.118 176.117 0.083 0.000 1.102 744 I CA 0.240 61.497 61.300 -0.072 0.000 1.196 744 I CB -0.158 37.755 38.000 -0.145 0.000 1.427 744 I HN 0.751 nan 8.210 nan 0.000 0.503 745 E N 4.022 124.251 120.200 0.048 0.000 2.601 745 E HA 0.226 4.574 4.350 -0.003 0.000 0.219 745 E C -0.023 176.603 176.600 0.042 0.000 0.964 745 E CA -0.127 56.315 56.400 0.069 0.000 1.050 745 E CB 1.164 30.913 29.700 0.081 0.000 1.068 745 E HN 0.185 nan 8.360 nan 0.000 0.496 746 I N 2.742 123.322 120.570 0.018 0.000 2.382 746 I HA 0.238 4.406 4.170 -0.003 0.000 0.286 746 I C -1.852 174.260 176.117 -0.007 0.000 1.002 746 I CA -2.861 58.443 61.300 0.006 0.000 1.135 746 I CB 1.195 39.194 38.000 -0.000 0.000 1.288 746 I HN -0.231 nan 8.210 nan 0.000 0.448 747 P HA -0.242 nan 4.420 nan 0.000 0.222 747 P C 1.748 179.035 177.300 -0.022 0.000 1.157 747 P CA 1.701 64.790 63.100 -0.019 0.000 0.905 747 P CB 0.155 31.839 31.700 -0.026 0.000 0.792 748 R N -0.611 119.876 120.500 -0.021 0.000 2.103 748 R HA -0.173 4.165 4.340 -0.003 0.000 0.242 748 R C 2.160 178.442 176.300 -0.030 0.000 1.142 748 R CA 1.858 57.944 56.100 -0.022 0.000 0.960 748 R CB -0.909 29.379 30.300 -0.019 0.000 0.858 748 R HN 0.106 nan 8.270 nan 0.000 0.439 749 A N 0.377 123.171 122.820 -0.043 0.000 1.940 749 A HA -0.153 4.165 4.320 -0.003 0.000 0.219 749 A C 2.275 179.800 177.584 -0.100 0.000 1.176 749 A CA 1.823 53.812 52.037 -0.080 0.000 0.631 749 A CB -0.650 18.284 19.000 -0.111 0.000 0.814 749 A HN 0.555 nan 8.150 nan 0.000 0.446 750 A N -0.429 122.356 122.820 -0.058 0.000 1.929 750 A HA 0.101 4.419 4.320 -0.003 0.000 0.216 750 A C 2.099 179.678 177.584 -0.008 0.000 1.176 750 A CA 1.211 53.233 52.037 -0.025 0.000 0.628 750 A CB -0.490 18.515 19.000 0.008 0.000 0.816 750 A HN 0.458 nan 8.150 nan 0.000 0.444 751 L N -0.053 121.162 121.223 -0.012 0.000 2.141 751 L HA -0.090 4.248 4.340 -0.003 0.000 0.209 751 L C 1.959 178.831 176.870 0.004 0.000 1.094 751 L CA 1.620 56.458 54.840 -0.004 0.000 0.763 751 L CB -0.502 41.551 42.059 -0.011 0.000 0.908 751 L HN 0.597 nan 8.230 nan 0.000 0.437 752 T N -4.147 110.406 114.554 -0.001 0.000 3.269 752 T HA 0.441 4.789 4.350 -0.003 0.000 0.269 752 T C 1.374 176.090 174.700 0.027 0.000 0.993 752 T CA 0.224 62.331 62.100 0.012 0.000 0.909 752 T CB 0.705 69.577 68.868 0.006 0.000 1.115 752 T HN 0.154 nan 8.240 nan 0.000 0.543 753 A N 3.042 125.882 122.820 0.032 0.000 1.948 753 A HA -0.201 4.117 4.320 -0.003 0.000 0.220 753 A C 2.263 179.957 177.584 0.184 0.000 1.177 753 A CA 1.964 54.048 52.037 0.079 0.000 0.636 753 A CB -0.700 18.362 19.000 0.104 0.000 0.815 753 A HN 0.779 nan 8.150 nan 0.000 0.449 754 D N 0.606 121.078 120.400 0.120 0.000 2.123 754 D HA -0.136 4.502 4.640 -0.003 0.000 0.196 754 D C 1.899 178.249 176.300 0.083 0.000 0.992 754 D CA 1.714 55.772 54.000 0.097 0.000 0.833 754 D CB -0.879 39.956 40.800 0.059 0.000 0.954 754 D HN 0.429 nan 8.370 nan 0.000 0.455 755 A N 0.908 123.768 122.820 0.067 0.000 1.898 755 A HA -0.070 4.248 4.320 -0.003 0.000 0.216 755 A C 2.424 180.051 177.584 0.071 0.000 1.181 755 A CA 1.206 53.274 52.037 0.052 0.000 0.620 755 A CB -0.457 18.564 19.000 0.035 0.000 0.819 755 A HN 0.214 nan 8.150 nan 0.000 0.442 756 I N 0.168 120.802 120.570 0.106 0.000 2.252 756 I HA -0.200 3.968 4.170 -0.003 0.000 0.245 756 I C 2.897 179.137 176.117 0.205 0.000 1.102 756 I CA 1.314 62.698 61.300 0.140 0.000 1.385 756 I CB -1.787 36.287 38.000 0.124 0.000 1.064 756 I HN 0.339 nan 8.210 nan 0.000 0.414 757 A N 0.787 123.765 122.820 0.265 0.000 1.978 757 A HA -0.220 4.098 4.320 -0.003 0.000 0.220 757 A C 2.156 179.723 177.584 -0.028 0.000 1.170 757 A CA 1.516 53.578 52.037 0.041 0.000 0.636 757 A CB -0.750 18.230 19.000 -0.033 0.000 0.810 757 A HN 0.521 nan 8.150 nan 0.000 0.448 758 E N -0.674 119.534 120.200 0.013 0.000 2.273 758 E HA -0.207 4.141 4.350 -0.003 0.000 0.198 758 E C 1.513 178.107 176.600 -0.010 0.000 1.002 758 E CA 1.263 57.662 56.400 -0.003 0.000 0.828 758 E CB 0.001 29.708 29.700 0.012 0.000 0.747 758 E HN 0.642 nan 8.360 nan 0.000 0.491 759 E N -0.335 119.863 120.200 -0.004 0.000 2.306 759 E HA 0.143 4.491 4.350 -0.003 0.000 0.201 759 E C 0.459 177.032 176.600 -0.045 0.000 0.874 759 E CA 0.186 56.580 56.400 -0.011 0.000 0.972 759 E CB 0.123 29.827 29.700 0.007 0.000 0.957 759 E HN 0.060 nan 8.360 nan 0.000 0.492 760 A N 2.099 124.886 122.820 -0.055 0.000 2.454 760 A HA 0.108 4.426 4.320 -0.003 0.000 0.260 760 A C 0.752 178.184 177.584 -0.254 0.000 1.106 760 A CA -0.027 51.926 52.037 -0.140 0.000 0.780 760 A CB 0.170 19.171 19.000 0.002 0.000 1.044 760 A HN 0.045 nan 8.150 nan 0.000 0.498 761 E N 1.129 121.190 120.200 -0.231 0.000 2.371 761 E HA 0.114 4.462 4.350 -0.003 0.000 0.194 761 E C -0.375 176.153 176.600 -0.120 0.000 1.012 761 E CA 0.566 56.871 56.400 -0.159 0.000 0.860 761 E CB 0.045 29.725 29.700 -0.033 0.000 0.811 761 E HN 0.779 nan 8.360 nan 0.000 0.502 762 F N -1.864 117.975 119.950 -0.185 0.000 2.662 762 F HA 0.611 5.136 4.527 -0.003 0.000 0.312 762 F C -1.343 174.417 175.800 -0.066 0.000 1.113 762 F CA -1.658 56.241 58.000 -0.168 0.000 0.951 762 F CB 1.011 40.000 39.000 -0.018 0.000 1.344 762 F HN -0.385 nan 8.300 nan 0.000 0.462 763 F N 1.259 121.260 119.950 0.084 0.000 2.518 763 F HA 0.598 5.123 4.527 -0.003 0.000 0.323 763 F C -0.110 175.604 175.800 -0.143 0.000 1.129 763 F CA -1.484 56.426 58.000 -0.150 0.000 0.920 763 F CB 1.875 40.658 39.000 -0.361 0.000 1.160 763 F HN 0.650 nan 8.300 nan 0.000 0.440 764 S N 3.934 119.701 115.700 0.111 0.000 2.474 764 S HA 0.594 5.062 4.470 -0.003 0.000 0.321 764 S C -0.907 173.639 174.600 -0.090 0.000 1.080 764 S CA -0.382 57.851 58.200 0.056 0.000 1.106 764 S CB 0.001 63.371 63.200 0.283 0.000 0.984 764 S HN 0.260 nan 8.310 nan 0.000 0.464 765 F N 3.382 123.383 119.950 0.086 0.000 2.466 765 F HA 0.327 4.853 4.527 -0.003 0.000 0.363 765 F C 1.437 177.278 175.800 0.069 0.000 1.109 765 F CA -0.722 57.306 58.000 0.047 0.000 1.161 765 F CB 0.498 39.515 39.000 0.028 0.000 1.117 765 F HN 0.676 nan 8.300 nan 0.000 0.539 766 G N 1.872 110.813 108.800 0.235 0.000 3.064 766 G HA2 0.207 4.165 3.960 -0.003 0.000 0.286 766 G HA3 0.207 4.165 3.960 -0.003 0.000 0.286 766 G C 1.013 176.012 174.900 0.164 0.000 0.834 766 G CA -0.177 45.033 45.100 0.184 0.000 1.856 766 G HN 0.741 nan 8.290 nan 0.000 0.559 767 T N -0.893 113.754 114.554 0.156 0.000 3.051 767 T HA -0.133 4.215 4.350 -0.003 0.000 0.269 767 T C 1.952 176.707 174.700 0.092 0.000 1.127 767 T CA 0.673 62.798 62.100 0.042 0.000 1.107 767 T CB 0.004 68.787 68.868 -0.142 0.000 0.898 767 T HN 0.276 nan 8.240 nan 0.000 0.517 768 N N 2.506 121.326 118.700 0.201 0.000 2.022 768 N HA -0.100 4.638 4.740 -0.003 0.000 0.195 768 N C 1.472 177.101 175.510 0.198 0.000 1.063 768 N CA 1.888 55.087 53.050 0.247 0.000 0.851 768 N CB -0.726 37.877 38.487 0.194 0.000 1.050 768 N HN 0.404 nan 8.380 nan 0.000 0.425 769 D N 0.447 120.935 120.400 0.146 0.000 2.218 769 D HA -0.073 4.565 4.640 -0.003 0.000 0.204 769 D C 1.903 178.264 176.300 0.102 0.000 0.976 769 D CA 0.157 54.230 54.000 0.121 0.000 0.853 769 D CB -0.172 40.686 40.800 0.096 0.000 0.939 769 D HN 0.076 nan 8.370 nan 0.000 0.481 770 L N 0.254 121.529 121.223 0.086 0.000 2.027 770 L HA -0.120 4.218 4.340 -0.003 0.000 0.206 770 L C 2.088 178.982 176.870 0.041 0.000 1.074 770 L CA 1.686 56.556 54.840 0.049 0.000 0.745 770 L CB -0.902 41.174 42.059 0.028 0.000 0.898 770 L HN -0.029 nan 8.230 nan 0.000 0.433 771 T N -0.612 113.968 114.554 0.044 0.000 2.708 771 T HA -0.225 4.123 4.350 -0.003 0.000 0.266 771 T C 1.784 176.514 174.700 0.050 0.000 1.037 771 T CA 1.704 63.816 62.100 0.020 0.000 1.146 771 T CB -0.229 68.579 68.868 -0.100 0.000 0.865 771 T HN 0.471 nan 8.240 nan 0.000 0.435 772 Q N 0.346 120.247 119.800 0.169 0.000 2.062 772 Q HA -0.144 4.194 4.340 -0.003 0.000 0.209 772 Q C 2.353 178.388 176.000 0.058 0.000 0.996 772 Q CA 1.624 57.557 55.803 0.217 0.000 0.859 772 Q CB -0.342 28.541 28.738 0.242 0.000 0.920 772 Q HN 0.513 nan 8.270 nan 0.000 0.415 773 M N -0.441 119.188 119.600 0.049 0.000 2.288 773 M HA -0.081 4.397 4.480 -0.003 0.000 0.266 773 M C 2.088 178.367 176.300 -0.034 0.000 1.072 773 M CA 1.069 56.377 55.300 0.012 0.000 1.132 773 M CB 0.142 32.755 32.600 0.022 0.000 1.386 773 M HN 0.164 nan 8.290 nan 0.000 0.432 774 T N 0.061 114.599 114.554 -0.028 0.000 2.777 774 T HA -0.082 4.266 4.350 -0.003 0.000 0.266 774 T C 1.282 175.864 174.700 -0.198 0.000 1.040 774 T CA 1.285 63.332 62.100 -0.089 0.000 1.141 774 T CB -0.253 68.574 68.868 -0.068 0.000 0.868 774 T HN 0.202 nan 8.240 nan 0.000 0.444 775 F N 0.969 120.662 119.950 -0.427 0.000 2.456 775 F HA 0.289 4.814 4.527 -0.004 0.000 0.298 775 F C 1.944 177.347 175.800 -0.662 0.000 1.104 775 F CA 0.373 57.965 58.000 -0.681 0.000 1.435 775 F CB -0.414 37.773 39.000 -1.355 0.000 1.078 775 F HN 0.323 nan 8.300 nan 0.000 0.546 776 G N 0.829 109.457 108.800 -0.286 0.000 2.248 776 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.263 776 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.263 776 G C -0.347 174.562 174.900 0.015 0.000 1.082 776 G CA 0.168 45.202 45.100 -0.110 0.000 0.863 776 G HN 0.369 nan 8.290 nan 0.000 0.495 777 F N -1.439 118.642 119.950 0.218 0.000 2.631 777 F HA 0.833 5.358 4.527 -0.003 0.000 0.308 777 F C -0.021 175.908 175.800 0.216 0.000 1.097 777 F CA -2.246 55.890 58.000 0.227 0.000 0.952 777 F CB 0.691 39.878 39.000 0.313 0.000 1.307 777 F HN 0.555 nan 8.300 nan 0.000 0.450 778 S N 1.092 117.047 115.700 0.425 0.000 2.513 778 S HA 0.360 4.828 4.470 -0.003 0.000 0.276 778 S C 0.987 175.643 174.600 0.094 0.000 1.254 778 S CA -0.577 57.756 58.200 0.222 0.000 1.053 778 S CB 1.625 64.894 63.200 0.115 0.000 0.958 778 S HN 0.984 nan 8.310 nan 0.000 0.491 779 R N 1.687 122.112 120.500 -0.125 0.000 2.096 779 R HA -0.154 4.184 4.340 -0.003 0.000 0.240 779 R C 0.820 176.897 176.300 -0.372 0.000 1.139 779 R CA 2.156 57.885 56.100 -0.619 0.000 0.952 779 R CB -0.425 29.341 30.300 -0.889 0.000 0.854 779 R HN 0.748 nan 8.270 nan 0.000 0.436 780 D N 0.168 120.440 120.400 -0.214 0.000 2.218 780 D HA -0.130 4.508 4.640 -0.003 0.000 0.204 780 D C 0.739 176.966 176.300 -0.121 0.000 0.976 780 D CA 1.121 55.029 54.000 -0.152 0.000 0.853 780 D CB -0.082 40.663 40.800 -0.093 0.000 0.939 780 D HN 0.332 nan 8.370 nan 0.000 0.481 781 D N -0.673 119.671 120.400 -0.094 0.000 2.398 781 D HA 0.160 4.798 4.640 -0.003 0.000 0.210 781 D C 1.640 177.844 176.300 -0.160 0.000 1.094 781 D CA 0.067 54.033 54.000 -0.056 0.000 0.839 781 D CB 0.448 41.277 40.800 0.047 0.000 0.963 781 D HN 0.062 nan 8.370 nan 0.000 0.506 782 A N 0.788 123.413 122.820 -0.326 0.000 2.119 782 A HA 0.122 4.440 4.320 -0.003 0.000 0.216 782 A C 2.250 179.328 177.584 -0.842 0.000 1.152 782 A CA 1.290 52.862 52.037 -0.774 0.000 0.708 782 A CB -0.628 17.972 19.000 -0.667 0.000 0.805 782 A HN 0.237 nan 8.150 nan 0.000 0.460 783 G N 1.260 109.799 108.800 -0.435 0.000 2.442 783 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.219 783 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.219 783 G C 1.428 176.170 174.900 -0.265 0.000 1.141 783 G CA 1.068 45.992 45.100 -0.294 0.000 0.763 783 G HN 0.752 nan 8.290 nan 0.000 0.554 784 K N -0.017 120.246 120.400 -0.228 0.000 2.569 784 K HA 0.238 4.556 4.320 -0.003 0.000 0.193 784 K C 1.046 177.697 176.600 0.084 0.000 1.026 784 K CA 0.754 57.017 56.287 -0.040 0.000 1.093 784 K CB -0.231 32.299 32.500 0.051 0.000 0.849 784 K HN 0.575 nan 8.250 nan 0.000 0.509 785 F N -4.099 115.827 119.950 -0.040 0.000 2.706 785 F HA 0.244 4.769 4.527 -0.004 0.000 0.370 785 F C 0.994 176.789 175.800 -0.010 0.000 0.828 785 F CA -0.791 57.218 58.000 0.014 0.000 1.028 785 F CB -0.250 38.777 39.000 0.046 0.000 0.981 785 F HN -0.224 nan 8.300 nan 0.000 0.617 786 L N 2.281 123.134 121.223 -0.617 0.000 2.064 786 L HA -0.240 4.098 4.340 -0.003 0.000 0.216 786 L C 2.160 178.797 176.870 -0.387 0.000 1.077 786 L CA 2.392 56.891 54.840 -0.570 0.000 0.766 786 L CB -1.193 40.475 42.059 -0.652 0.000 0.890 786 L HN 0.446 nan 8.230 nan 0.000 0.435 787 D N -1.237 119.137 120.400 -0.043 0.000 2.106 787 D HA -0.196 4.442 4.640 -0.003 0.000 0.191 787 D C 2.134 178.538 176.300 0.174 0.000 0.997 787 D CA 1.758 55.871 54.000 0.189 0.000 0.834 787 D CB 0.017 40.889 40.800 0.120 0.000 0.956 787 D HN 0.314 nan 8.370 nan 0.000 0.448 788 S N -1.231 114.563 115.700 0.156 0.000 2.419 788 S HA -0.160 4.308 4.470 -0.003 0.000 0.233 788 S C 1.745 176.420 174.600 0.126 0.000 1.016 788 S CA 0.714 59.004 58.200 0.150 0.000 0.974 788 S CB -0.465 62.841 63.200 0.177 0.000 0.786 788 S HN 0.371 nan 8.310 nan 0.000 0.492 789 Y N 0.371 120.645 120.300 -0.044 0.000 2.206 789 Y HA -0.015 4.534 4.550 -0.001 0.000 0.292 789 Y C 2.175 178.045 175.900 -0.051 0.000 1.123 789 Y CA 0.631 58.668 58.100 -0.106 0.000 1.142 789 Y CB -0.764 37.603 38.460 -0.154 0.000 1.006 789 Y HN 0.197 nan 8.280 nan 0.000 0.518 790 Y N 0.266 120.717 120.300 0.251 0.000 2.165 790 Y HA -0.246 4.301 4.550 -0.004 0.000 0.286 790 Y C 2.260 178.213 175.900 0.087 0.000 1.155 790 Y CA 1.126 59.322 58.100 0.160 0.000 1.164 790 Y CB -0.822 37.713 38.460 0.124 0.000 0.978 790 Y HN 0.020 nan 8.280 nan 0.000 0.513 791 K N -0.141 120.394 120.400 0.226 0.000 2.009 791 K HA -0.136 4.182 4.320 -0.003 0.000 0.210 791 K C 2.170 178.809 176.600 0.064 0.000 1.049 791 K CA 1.406 57.765 56.287 0.120 0.000 0.929 791 K CB -0.459 32.094 32.500 0.088 0.000 0.714 791 K HN 0.250 nan 8.250 nan 0.000 0.440 792 A N 0.839 123.672 122.820 0.023 0.000 2.235 792 A HA -0.046 4.272 4.320 -0.003 0.000 0.208 792 A C 0.251 177.812 177.584 -0.038 0.000 1.172 792 A CA 0.522 52.535 52.037 -0.041 0.000 0.786 792 A CB -0.189 18.736 19.000 -0.125 0.000 0.804 792 A HN 0.303 nan 8.150 nan 0.000 0.479 793 K N -1.796 118.619 120.400 0.024 0.000 3.281 793 K HA -0.206 4.112 4.320 -0.003 0.000 0.295 793 K C 0.699 177.303 176.600 0.006 0.000 1.233 793 K CA 1.069 57.382 56.287 0.043 0.000 0.866 793 K CB -2.024 30.486 32.500 0.017 0.000 1.265 793 K HN 0.653 nan 8.250 nan 0.000 0.482 794 I N -0.499 120.028 120.570 -0.071 0.000 2.202 794 I HA -0.191 3.977 4.170 -0.003 0.000 0.242 794 I C 0.777 176.819 176.117 -0.126 0.000 1.091 794 I CA 1.372 62.543 61.300 -0.215 0.000 1.368 794 I CB -0.094 37.607 38.000 -0.497 0.000 1.058 794 I HN 0.022 nan 8.210 nan 0.000 0.410 795 Y N 0.412 120.845 120.300 0.221 0.000 2.393 795 Y HA 0.286 4.835 4.550 -0.002 0.000 0.341 795 Y C 0.765 176.839 175.900 0.290 0.000 0.988 795 Y CA -1.402 56.845 58.100 0.246 0.000 1.078 795 Y CB 0.981 39.583 38.460 0.236 0.000 1.203 795 Y HN -0.024 nan 8.280 nan 0.000 0.453 796 E N 0.840 121.270 120.200 0.383 0.000 2.481 796 E HA 0.239 4.587 4.350 -0.003 0.000 0.198 796 E C -0.516 176.203 176.600 0.199 0.000 1.027 796 E CA 0.149 56.699 56.400 0.250 0.000 0.900 796 E CB 0.597 30.390 29.700 0.156 0.000 0.993 796 E HN 0.417 nan 8.360 nan 0.000 0.482 797 S N 0.621 116.473 115.700 0.254 0.000 2.541 797 S HA 0.101 4.569 4.470 -0.003 0.000 0.271 797 S C -1.261 173.443 174.600 0.173 0.000 1.133 797 S CA -0.987 57.293 58.200 0.133 0.000 0.876 797 S CB 2.094 65.339 63.200 0.075 0.000 1.105 797 S HN 0.072 nan 8.310 nan 0.000 0.470 798 D N 3.075 123.520 120.400 0.076 0.000 2.346 798 D HA 0.181 4.819 4.640 -0.003 0.000 0.260 798 D C -1.292 174.967 176.300 -0.069 0.000 1.252 798 D CA -1.822 52.231 54.000 0.088 0.000 0.895 798 D CB 1.097 41.930 40.800 0.055 0.000 1.097 798 D HN 0.095 nan 8.370 nan 0.000 0.489 799 P HA -0.106 nan 4.420 nan 0.000 0.225 799 P C 1.032 178.151 177.300 -0.301 0.000 1.148 799 P CA 0.659 63.471 63.100 -0.480 0.000 0.779 799 P CB -0.013 30.985 31.700 -1.169 0.000 0.780 800 F N -0.084 119.833 119.950 -0.055 0.000 2.743 800 F HA 0.236 4.761 4.527 -0.004 0.000 0.297 800 F C 2.417 178.025 175.800 -0.320 0.000 1.131 800 F CA 0.686 58.659 58.000 -0.045 0.000 1.426 800 F CB -0.788 38.173 39.000 -0.065 0.000 1.116 800 F HN -0.027 nan 8.300 nan 0.000 0.583 801 A N -0.632 122.121 122.820 -0.113 0.000 2.127 801 A HA 0.269 4.587 4.320 -0.003 0.000 0.204 801 A C 0.972 178.437 177.584 -0.198 0.000 1.243 801 A CA -0.086 51.829 52.037 -0.204 0.000 0.887 801 A CB 0.218 19.175 19.000 -0.071 0.000 0.933 801 A HN 0.149 nan 8.150 nan 0.000 0.479 802 R N 0.090 120.565 120.500 -0.042 0.000 2.513 802 R HA 0.523 4.861 4.340 -0.003 0.000 0.301 802 R C -1.465 174.970 176.300 0.225 0.000 0.968 802 R CA -0.746 55.404 56.100 0.083 0.000 0.872 802 R CB 1.212 31.531 30.300 0.031 0.000 1.177 802 R HN 0.247 nan 8.270 nan 0.000 0.444 803 L N 3.404 124.809 121.223 0.302 0.000 2.490 803 L HA 0.088 4.426 4.340 -0.003 0.000 0.274 803 L C -0.360 176.448 176.870 -0.104 0.000 1.201 803 L CA 0.552 55.406 54.840 0.023 0.000 0.869 803 L CB 0.694 42.685 42.059 -0.114 0.000 1.123 803 L HN 0.603 nan 8.230 nan 0.000 0.484 804 D N 3.332 123.648 120.400 -0.140 0.000 2.483 804 D HA 0.098 4.736 4.640 -0.003 0.000 0.220 804 D C 0.759 176.930 176.300 -0.215 0.000 1.173 804 D CA 0.115 54.065 54.000 -0.083 0.000 0.964 804 D CB 0.636 41.512 40.800 0.127 0.000 1.046 804 D HN 0.671 nan 8.370 nan 0.000 0.517 805 Q N 1.353 120.961 119.800 -0.320 0.000 2.119 805 Q HA -0.104 4.234 4.340 -0.003 0.000 0.201 805 Q C 1.461 177.273 176.000 -0.314 0.000 0.972 805 Q CA 1.350 56.804 55.803 -0.581 0.000 0.847 805 Q CB 0.182 28.573 28.738 -0.578 0.000 0.903 805 Q HN 0.490 nan 8.270 nan 0.000 0.433 806 T N -0.185 114.274 114.554 -0.158 0.000 2.777 806 T HA -0.099 4.249 4.350 -0.003 0.000 0.266 806 T C 1.575 176.215 174.700 -0.100 0.000 1.040 806 T CA 1.344 63.393 62.100 -0.085 0.000 1.141 806 T CB -0.292 68.555 68.868 -0.036 0.000 0.868 806 T HN 0.521 nan 8.240 nan 0.000 0.444 807 G N 0.401 109.123 108.800 -0.130 0.000 2.688 807 G HA2 0.047 4.005 3.960 -0.003 0.000 0.214 807 G HA3 0.047 4.005 3.960 -0.003 0.000 0.214 807 G C 1.631 176.435 174.900 -0.159 0.000 1.211 807 G CA 0.334 45.328 45.100 -0.176 0.000 0.853 807 G HN 0.340 nan 8.290 nan 0.000 0.591 808 V N 2.070 121.905 119.914 -0.132 0.000 2.295 808 V HA -0.061 4.057 4.120 -0.003 0.000 0.246 808 V C 3.204 179.199 176.094 -0.164 0.000 1.049 808 V CA 2.092 64.318 62.300 -0.124 0.000 1.024 808 V CB -1.231 30.531 31.823 -0.101 0.000 0.648 808 V HN 0.429 nan 8.190 nan 0.000 0.447 809 G N -0.851 107.798 108.800 -0.250 0.000 2.556 809 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.220 809 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.220 809 G C 1.474 176.390 174.900 0.027 0.000 1.156 809 G CA 1.219 46.162 45.100 -0.262 0.000 0.766 809 G HN 0.557 nan 8.290 nan 0.000 0.583 810 Q N -0.375 119.414 119.800 -0.017 0.000 2.112 810 Q HA -0.071 4.267 4.340 -0.003 0.000 0.206 810 Q C 2.727 178.726 176.000 -0.001 0.000 0.987 810 Q CA 1.184 56.997 55.803 0.017 0.000 0.858 810 Q CB -0.268 28.458 28.738 -0.020 0.000 0.905 810 Q HN 0.505 nan 8.270 nan 0.000 0.420 811 L N -0.318 120.878 121.223 -0.046 0.000 2.093 811 L HA -0.160 4.178 4.340 -0.003 0.000 0.208 811 L C 2.350 179.175 176.870 -0.076 0.000 1.085 811 L CA 0.602 55.412 54.840 -0.051 0.000 0.755 811 L CB -0.375 41.645 42.059 -0.064 0.000 0.904 811 L HN 0.094 nan 8.230 nan 0.000 0.435 812 V N 0.026 119.832 119.914 -0.180 0.000 2.223 812 V HA -0.327 3.791 4.120 -0.003 0.000 0.244 812 V C 2.437 178.428 176.094 -0.170 0.000 1.045 812 V CA 2.134 64.154 62.300 -0.468 0.000 1.000 812 V CB -0.584 30.889 31.823 -0.585 0.000 0.635 812 V HN 0.512 nan 8.190 nan 0.000 0.445 813 E N -0.189 119.993 120.200 -0.030 0.000 2.086 813 E HA -0.355 3.993 4.350 -0.003 0.000 0.205 813 E C 2.254 178.872 176.600 0.030 0.000 1.027 813 E CA 2.625 59.021 56.400 -0.008 0.000 0.830 813 E CB -0.275 29.452 29.700 0.045 0.000 0.751 813 E HN 0.537 nan 8.360 nan 0.000 0.456 814 M N 0.245 119.866 119.600 0.035 0.000 2.065 814 M HA -0.239 4.239 4.480 -0.003 0.000 0.259 814 M C 2.336 178.691 176.300 0.092 0.000 1.071 814 M CA 2.184 57.513 55.300 0.048 0.000 1.109 814 M CB -0.289 32.329 32.600 0.029 0.000 1.313 814 M HN 0.272 nan 8.290 nan 0.000 0.408 815 A N -0.211 122.681 122.820 0.121 0.000 1.903 815 A HA -0.198 4.120 4.320 -0.003 0.000 0.219 815 A C 2.048 179.811 177.584 0.297 0.000 1.191 815 A CA 2.413 54.572 52.037 0.203 0.000 0.638 815 A CB -1.389 17.806 19.000 0.324 0.000 0.823 815 A HN 0.484 nan 8.150 nan 0.000 0.451 816 V N 0.033 120.142 119.914 0.324 0.000 2.261 816 V HA -0.287 3.831 4.120 -0.003 0.000 0.246 816 V C 2.540 178.730 176.094 0.160 0.000 1.047 816 V CA 2.492 64.959 62.300 0.277 0.000 1.015 816 V CB -0.752 31.198 31.823 0.212 0.000 0.642 816 V HN 0.728 nan 8.190 nan 0.000 0.446 817 K N 0.122 120.585 120.400 0.105 0.000 2.044 817 K HA -0.242 4.076 4.320 -0.003 0.000 0.210 817 K C 2.266 178.909 176.600 0.072 0.000 1.049 817 K CA 1.804 58.129 56.287 0.064 0.000 0.927 817 K CB -0.164 32.359 32.500 0.039 0.000 0.713 817 K HN 0.351 nan 8.250 nan 0.000 0.443 818 K N -0.603 119.854 120.400 0.095 0.000 2.057 818 K HA -0.072 4.246 4.320 -0.003 0.000 0.206 818 K C 2.200 178.870 176.600 0.117 0.000 1.050 818 K CA 1.253 57.595 56.287 0.093 0.000 0.935 818 K CB -0.263 32.292 32.500 0.092 0.000 0.715 818 K HN 0.380 nan 8.250 nan 0.000 0.439 819 G N 1.296 110.214 108.800 0.196 0.000 2.440 819 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.218 819 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.218 819 G C 1.438 176.352 174.900 0.022 0.000 1.154 819 G CA 0.576 45.788 45.100 0.186 0.000 0.767 819 G HN 0.261 nan 8.290 nan 0.000 0.552 820 R N 0.015 120.532 120.500 0.028 0.000 2.307 820 R HA 0.081 4.419 4.340 -0.003 0.000 0.199 820 R C 2.602 178.900 176.300 -0.004 0.000 1.000 820 R CA 0.432 56.527 56.100 -0.009 0.000 1.023 820 R CB -0.007 30.293 30.300 0.000 0.000 0.908 820 R HN 0.503 nan 8.270 nan 0.000 0.473 821 Q N -0.600 119.208 119.800 0.012 0.000 2.096 821 Q HA -0.080 4.258 4.340 -0.003 0.000 0.197 821 Q C 1.993 177.994 176.000 0.001 0.000 0.964 821 Q CA 1.854 57.663 55.803 0.010 0.000 0.838 821 Q CB 0.171 28.921 28.738 0.020 0.000 0.906 821 Q HN 0.378 nan 8.270 nan 0.000 0.444 822 T N -1.884 112.671 114.554 0.001 0.000 3.009 822 T HA 0.037 4.385 4.350 -0.003 0.000 0.258 822 T C 1.159 175.840 174.700 -0.033 0.000 1.063 822 T CA 0.166 62.260 62.100 -0.010 0.000 1.139 822 T CB 0.226 69.094 68.868 0.000 0.000 0.890 822 T HN -0.029 nan 8.240 nan 0.000 0.471 823 R N 1.268 121.736 120.500 -0.054 0.000 2.639 823 R HA 0.327 4.665 4.340 -0.003 0.000 0.273 823 R C -2.461 173.792 176.300 -0.078 0.000 1.732 823 R CA -1.885 54.166 56.100 -0.081 0.000 1.586 823 R CB 1.147 31.366 30.300 -0.136 0.000 1.263 823 R HN 0.081 nan 8.270 nan 0.000 0.615 824 P HA -0.146 nan 4.420 nan 0.000 0.216 824 P C 0.812 178.084 177.300 -0.047 0.000 1.154 824 P CA 1.411 64.487 63.100 -0.040 0.000 0.865 824 P CB 0.225 31.908 31.700 -0.029 0.000 0.789 825 G N -0.783 107.983 108.800 -0.057 0.000 3.639 825 G HA2 0.247 4.205 3.960 -0.003 0.000 0.279 825 G HA3 0.247 4.205 3.960 -0.003 0.000 0.279 825 G C -0.318 174.533 174.900 -0.082 0.000 1.312 825 G CA -0.161 44.904 45.100 -0.057 0.000 1.355 825 G HN 0.148 nan 8.290 nan 0.000 0.595 826 L N 0.493 121.656 121.223 -0.100 0.000 2.281 826 L HA 0.575 4.913 4.340 -0.003 0.000 0.285 826 L C -0.243 176.575 176.870 -0.088 0.000 1.074 826 L CA -0.947 53.801 54.840 -0.153 0.000 0.817 826 L CB 0.883 42.787 42.059 -0.257 0.000 1.168 826 L HN -0.150 nan 8.230 nan 0.000 0.434 827 K N 3.971 124.344 120.400 -0.044 0.000 2.234 827 K HA 0.485 4.803 4.320 -0.003 0.000 0.282 827 K C -1.018 175.616 176.600 0.057 0.000 1.039 827 K CA 0.076 56.389 56.287 0.043 0.000 0.928 827 K CB 0.666 33.226 32.500 0.099 0.000 1.039 827 K HN 0.667 nan 8.250 nan 0.000 0.470 828 C N 2.130 121.446 119.300 0.027 0.000 2.396 828 C HA 0.851 5.309 4.460 -0.003 0.000 0.321 828 C C 0.591 175.417 174.990 -0.273 0.000 1.233 828 C CA -1.213 57.775 59.018 -0.049 0.000 1.440 828 C CB 0.900 28.651 27.740 0.019 0.000 2.110 828 C HN 0.870 nan 8.230 nan 0.000 0.473 829 G N 1.117 109.612 108.800 -0.508 0.000 2.788 829 G HA2 0.825 4.783 3.960 -0.003 0.000 0.293 829 G HA3 0.825 4.783 3.960 -0.003 0.000 0.293 829 G C -1.538 173.212 174.900 -0.249 0.000 1.305 829 G CA -0.582 43.917 45.100 -1.002 0.000 1.005 829 G HN 0.901 nan 8.290 nan 0.000 0.496 830 I N -0.706 119.797 120.570 -0.111 0.000 2.533 830 I HA 0.371 4.539 4.170 -0.003 0.000 0.290 830 I C 0.567 176.793 176.117 0.180 0.000 1.056 830 I CA -1.146 60.248 61.300 0.158 0.000 1.057 830 I CB 1.818 39.941 38.000 0.206 0.000 1.240 830 I HN 0.638 nan 8.210 nan 0.000 0.423 831 C N 3.712 123.138 119.300 0.210 0.000 3.559 831 C HA 0.516 4.974 4.460 -0.003 0.000 0.314 831 C C 1.270 176.379 174.990 0.199 0.000 1.419 831 C CA 0.006 59.151 59.018 0.212 0.000 1.775 831 C CB -1.095 26.773 27.740 0.214 0.000 2.430 831 C HN 0.748 nan 8.230 nan 0.000 0.686 832 G N 0.572 109.502 108.800 0.218 0.000 2.716 832 G HA2 0.228 4.186 3.960 -0.003 0.000 0.251 832 G HA3 0.228 4.186 3.960 -0.003 0.000 0.251 832 G C 0.750 175.785 174.900 0.226 0.000 1.224 832 G CA 0.225 45.471 45.100 0.244 0.000 0.891 832 G HN 0.574 nan 8.290 nan 0.000 0.561 833 E N -0.907 119.404 120.200 0.185 0.000 2.209 833 E HA -0.215 4.133 4.350 -0.003 0.000 0.196 833 E C 1.856 178.480 176.600 0.040 0.000 0.993 833 E CA 1.194 57.632 56.400 0.064 0.000 0.819 833 E CB -0.047 29.632 29.700 -0.036 0.000 0.745 833 E HN 0.679 nan 8.360 nan 0.000 0.477 834 H N -1.197 117.926 119.070 0.087 0.000 2.521 834 H HA 0.022 4.575 4.556 -0.004 0.000 0.286 834 H C 1.877 177.259 175.328 0.091 0.000 1.034 834 H CA 0.970 57.064 56.048 0.076 0.000 1.278 834 H CB -0.338 29.461 29.762 0.062 0.000 1.386 834 H HN 0.264 nan 8.280 nan 0.000 0.567 835 G N -0.015 108.919 108.800 0.224 0.000 2.479 835 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.220 835 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.220 835 G C 1.672 176.659 174.900 0.146 0.000 1.115 835 G CA 0.854 46.063 45.100 0.182 0.000 0.757 835 G HN 0.530 nan 8.290 nan 0.000 0.560 836 G N -0.764 108.108 108.800 0.120 0.000 3.434 836 G HA2 0.194 4.152 3.960 -0.003 0.000 0.258 836 G HA3 0.194 4.152 3.960 -0.003 0.000 0.258 836 G C -0.217 174.731 174.900 0.081 0.000 1.128 836 G CA -0.120 45.038 45.100 0.096 0.000 0.792 836 G HN 0.321 nan 8.290 nan 0.000 0.539 837 D N 0.713 121.168 120.400 0.091 0.000 2.412 837 D HA 0.241 4.879 4.640 -0.003 0.000 0.224 837 D C -1.502 174.853 176.300 0.092 0.000 1.093 837 D CA -1.861 52.186 54.000 0.077 0.000 0.850 837 D CB 2.338 43.179 40.800 0.068 0.000 1.046 837 D HN -0.128 nan 8.370 nan 0.000 0.507 838 P HA -0.283 nan 4.420 nan 0.000 0.221 838 P C 1.577 178.931 177.300 0.091 0.000 1.160 838 P CA 2.174 65.320 63.100 0.077 0.000 0.933 838 P CB 0.040 31.777 31.700 0.061 0.000 0.793 839 S N -1.696 114.057 115.700 0.087 0.000 2.382 839 S HA -0.141 4.327 4.470 -0.003 0.000 0.228 839 S C 1.998 176.679 174.600 0.136 0.000 1.027 839 S CA 1.820 60.079 58.200 0.098 0.000 0.991 839 S CB -1.479 61.765 63.200 0.074 0.000 0.823 839 S HN 0.113 nan 8.310 nan 0.000 0.469 840 S N 1.771 117.553 115.700 0.137 0.000 2.355 840 S HA -0.026 4.442 4.470 -0.003 0.000 0.222 840 S C 2.000 176.728 174.600 0.214 0.000 1.031 840 S CA 1.191 59.495 58.200 0.173 0.000 0.993 840 S CB -0.792 62.522 63.200 0.190 0.000 0.859 840 S HN 0.425 nan 8.310 nan 0.000 0.453 841 V N 2.112 122.129 119.914 0.171 0.000 2.255 841 V HA -0.244 3.874 4.120 -0.003 0.000 0.247 841 V C 2.574 178.774 176.094 0.177 0.000 1.051 841 V CA 2.177 64.573 62.300 0.161 0.000 1.018 841 V CB -0.708 31.189 31.823 0.123 0.000 0.641 841 V HN 0.544 nan 8.190 nan 0.000 0.445 842 E N -0.542 119.755 120.200 0.161 0.000 2.085 842 E HA -0.284 4.064 4.350 -0.003 0.000 0.194 842 E C 2.079 178.814 176.600 0.225 0.000 0.994 842 E CA 1.774 58.272 56.400 0.163 0.000 0.801 842 E CB -0.235 29.541 29.700 0.128 0.000 0.743 842 E HN 0.524 nan 8.360 nan 0.000 0.453 843 F N 1.231 121.231 119.950 0.083 0.000 2.025 843 F HA -0.310 4.216 4.527 -0.003 0.000 0.297 843 F C 2.449 178.289 175.800 0.067 0.000 1.132 843 F CA 1.830 59.865 58.000 0.058 0.000 1.191 843 F CB -0.854 38.159 39.000 0.023 0.000 0.963 843 F HN 0.175 nan 8.300 nan 0.000 0.481 844 C N -0.100 119.299 119.300 0.165 0.000 2.385 844 C HA -0.301 4.157 4.460 -0.003 0.000 0.275 844 C C 2.684 177.685 174.990 0.018 0.000 1.199 844 C CA 1.802 60.855 59.018 0.060 0.000 1.782 844 C CB -1.959 25.866 27.740 0.142 0.000 2.068 844 C HN 0.728 nan 8.230 nan 0.000 0.471 845 H N 1.089 120.150 119.070 -0.015 0.000 2.270 845 H HA -0.118 4.436 4.556 -0.003 0.000 0.299 845 H C 2.169 177.455 175.328 -0.069 0.000 1.077 845 H CA 2.055 58.095 56.048 -0.014 0.000 1.294 845 H CB -0.191 29.584 29.762 0.021 0.000 1.371 845 H HN 0.392 nan 8.280 nan 0.000 0.491 846 K N -0.205 120.140 120.400 -0.090 0.000 2.103 846 K HA -0.105 4.213 4.320 -0.003 0.000 0.207 846 K C 2.172 178.598 176.600 -0.289 0.000 1.048 846 K CA 1.618 57.788 56.287 -0.195 0.000 0.930 846 K CB -0.038 32.396 32.500 -0.111 0.000 0.716 846 K HN 0.388 nan 8.250 nan 0.000 0.444 847 V N -3.202 116.466 119.914 -0.409 0.000 3.041 847 V HA 0.213 4.331 4.120 -0.003 0.000 0.260 847 V C 1.188 177.168 176.094 -0.190 0.000 1.105 847 V CA 1.049 63.126 62.300 -0.371 0.000 1.125 847 V CB -0.211 31.274 31.823 -0.564 0.000 0.730 847 V HN 0.431 nan 8.190 nan 0.000 0.479 848 G N -0.304 108.398 108.800 -0.164 0.000 2.164 848 G HA2 -0.137 3.821 3.960 -0.003 0.000 0.154 848 G HA3 -0.137 3.821 3.960 -0.003 0.000 0.154 848 G C -0.359 174.522 174.900 -0.031 0.000 1.014 848 G CA -0.141 44.898 45.100 -0.102 0.000 0.683 848 G HN 0.400 nan 8.290 nan 0.000 0.500 849 L N 0.712 121.934 121.223 -0.002 0.000 2.499 849 L HA 0.298 4.636 4.340 -0.003 0.000 0.281 849 L C 1.632 178.521 176.870 0.031 0.000 1.234 849 L CA 0.910 55.771 54.840 0.036 0.000 0.839 849 L CB 0.305 42.394 42.059 0.050 0.000 1.104 849 L HN 0.217 nan 8.230 nan 0.000 0.500 850 N N 0.134 118.851 118.700 0.028 0.000 2.290 850 N HA 0.030 4.768 4.740 -0.003 0.000 0.179 850 N C -0.982 174.665 175.510 0.229 0.000 1.016 850 N CA 0.932 54.056 53.050 0.124 0.000 0.871 850 N CB 0.128 38.725 38.487 0.184 0.000 0.987 850 N HN 0.638 nan 8.380 nan 0.000 0.431 851 Y N -2.743 117.611 120.300 0.089 0.000 2.689 851 Y HA 0.611 5.159 4.550 -0.003 0.000 0.333 851 Y C -1.029 174.942 175.900 0.117 0.000 1.208 851 Y CA -1.948 56.206 58.100 0.091 0.000 1.055 851 Y CB 0.710 39.208 38.460 0.063 0.000 1.304 851 Y HN -0.191 nan 8.280 nan 0.000 0.455 852 V N -0.712 119.401 119.914 0.332 0.000 3.019 852 V HA 0.908 5.026 4.120 -0.003 0.000 0.317 852 V C -0.726 175.598 176.094 0.383 0.000 1.094 852 V CA -0.465 61.985 62.300 0.250 0.000 1.000 852 V CB 1.478 33.410 31.823 0.183 0.000 1.060 852 V HN 1.032 nan 8.190 nan 0.000 0.443 853 S N 1.139 117.013 115.700 0.290 0.000 2.547 853 S HA 0.853 5.321 4.470 -0.003 0.000 0.281 853 S C -0.555 174.154 174.600 0.183 0.000 1.118 853 S CA -0.042 58.308 58.200 0.251 0.000 0.947 853 S CB 0.776 64.153 63.200 0.294 0.000 1.053 853 S HN 1.874 nan 8.310 nan 0.000 0.482 854 C N 2.065 121.453 119.300 0.146 0.000 3.285 854 C HA 0.921 5.379 4.460 -0.003 0.000 0.320 854 C C 0.341 175.399 174.990 0.114 0.000 1.411 854 C CA -0.764 58.330 59.018 0.127 0.000 1.429 854 C CB 0.665 28.474 27.740 0.116 0.000 1.812 854 C HN 0.915 nan 8.230 nan 0.000 0.454 855 S N 0.668 116.436 115.700 0.113 0.000 2.562 855 S HA 0.334 4.802 4.470 -0.003 0.000 0.281 855 S C -1.626 173.057 174.600 0.138 0.000 1.333 855 S CA -0.082 58.192 58.200 0.123 0.000 1.052 855 S CB 0.336 63.611 63.200 0.125 0.000 0.884 855 S HN 0.705 nan 8.310 nan 0.000 0.506 856 P HA -0.176 nan 4.420 nan 0.000 0.219 856 P C 0.775 178.099 177.300 0.040 0.000 1.161 856 P CA 1.578 64.732 63.100 0.091 0.000 0.909 856 P CB -0.124 31.662 31.700 0.144 0.000 0.793 857 F N -1.540 118.438 119.950 0.046 0.000 2.802 857 F HA 0.039 4.564 4.527 -0.003 0.000 0.300 857 F C 2.036 177.845 175.800 0.015 0.000 1.168 857 F CA 0.843 58.858 58.000 0.025 0.000 1.433 857 F CB -0.305 38.716 39.000 0.035 0.000 1.115 857 F HN -0.167 nan 8.300 nan 0.000 0.582 858 R N -1.337 119.251 120.500 0.147 0.000 2.397 858 R HA 0.108 4.446 4.340 -0.003 0.000 0.241 858 R C 1.960 178.305 176.300 0.075 0.000 0.914 858 R CA 0.097 56.259 56.100 0.104 0.000 1.071 858 R CB 0.134 30.496 30.300 0.104 0.000 1.116 858 R HN 0.133 nan 8.270 nan 0.000 0.524 859 V N 2.134 122.077 119.914 0.050 0.000 2.278 859 V HA -0.220 3.898 4.120 -0.003 0.000 0.251 859 V C -0.883 175.230 176.094 0.032 0.000 1.062 859 V CA 2.121 64.441 62.300 0.033 0.000 1.038 859 V CB -1.007 30.813 31.823 -0.005 0.000 0.646 859 V HN 0.195 nan 8.190 nan 0.000 0.447 860 P HA -0.151 nan 4.420 nan 0.000 0.216 860 P C 1.733 179.067 177.300 0.056 0.000 1.150 860 P CA 1.618 64.752 63.100 0.055 0.000 0.843 860 P CB -0.063 31.764 31.700 0.211 0.000 0.787 861 I N -1.182 119.433 120.570 0.075 0.000 2.286 861 I HA -0.183 3.985 4.170 -0.003 0.000 0.245 861 I C 2.332 178.485 176.117 0.061 0.000 1.104 861 I CA 1.171 62.514 61.300 0.071 0.000 1.397 861 I CB -0.850 37.193 38.000 0.072 0.000 1.072 861 I HN -0.091 nan 8.210 nan 0.000 0.417 862 A N 1.298 124.157 122.820 0.064 0.000 1.865 862 A HA -0.223 4.095 4.320 -0.003 0.000 0.217 862 A C 2.410 180.026 177.584 0.054 0.000 1.191 862 A CA 1.613 53.692 52.037 0.069 0.000 0.623 862 A CB -0.686 18.365 19.000 0.084 0.000 0.826 862 A HN 0.277 nan 8.150 nan 0.000 0.444 863 R N -1.210 119.311 120.500 0.034 0.000 2.113 863 R HA -0.201 4.137 4.340 -0.003 0.000 0.244 863 R C 2.152 178.461 176.300 0.015 0.000 1.142 863 R CA 1.697 57.805 56.100 0.013 0.000 0.953 863 R CB -0.708 29.574 30.300 -0.030 0.000 0.860 863 R HN 0.506 nan 8.270 nan 0.000 0.438 864 L N 0.607 121.837 121.223 0.012 0.000 1.988 864 L HA -0.074 4.264 4.340 -0.003 0.000 0.207 864 L C 2.330 179.225 176.870 0.042 0.000 1.071 864 L CA 2.117 56.973 54.840 0.027 0.000 0.744 864 L CB -1.017 41.059 42.059 0.028 0.000 0.893 864 L HN 0.176 nan 8.230 nan 0.000 0.433 865 A N -0.225 122.621 122.820 0.043 0.000 1.929 865 A HA -0.330 3.988 4.320 -0.003 0.000 0.221 865 A C 2.450 180.044 177.584 0.017 0.000 1.211 865 A CA 2.838 54.899 52.037 0.040 0.000 0.657 865 A CB -1.469 17.565 19.000 0.056 0.000 0.827 865 A HN 0.684 nan 8.150 nan 0.000 0.462 866 A N -0.660 122.173 122.820 0.022 0.000 1.902 866 A HA 0.182 4.500 4.320 -0.003 0.000 0.217 866 A C 2.533 180.084 177.584 -0.055 0.000 1.181 866 A CA 2.202 54.233 52.037 -0.010 0.000 0.623 866 A CB -1.042 17.984 19.000 0.043 0.000 0.818 866 A HN 1.229 nan 8.150 nan 0.000 0.443 867 A N -0.680 122.154 122.820 0.023 0.000 1.933 867 A HA -0.191 4.127 4.320 -0.003 0.000 0.218 867 A C 2.129 179.737 177.584 0.041 0.000 1.175 867 A CA 1.606 53.697 52.037 0.089 0.000 0.628 867 A CB -0.530 18.580 19.000 0.183 0.000 0.814 867 A HN 0.670 nan 8.150 nan 0.000 0.444 868 Q N -0.550 119.257 119.800 0.012 0.000 2.020 868 Q HA -0.108 4.230 4.340 -0.003 0.000 0.202 868 Q C 2.506 178.459 176.000 -0.079 0.000 0.982 868 Q CA 1.377 57.171 55.803 -0.015 0.000 0.838 868 Q CB -0.439 28.305 28.738 0.010 0.000 0.899 868 Q HN 0.657 nan 8.270 nan 0.000 0.423 869 A N 1.481 124.216 122.820 -0.142 0.000 1.892 869 A HA -0.226 4.092 4.320 -0.003 0.000 0.218 869 A C 2.363 179.693 177.584 -0.423 0.000 1.188 869 A CA 1.921 53.808 52.037 -0.250 0.000 0.631 869 A CB -0.994 17.815 19.000 -0.318 0.000 0.822 869 A HN 0.428 nan 8.150 nan 0.000 0.447 870 A N -0.572 121.901 122.820 -0.579 0.000 1.940 870 A HA -0.062 4.256 4.320 -0.003 0.000 0.219 870 A C 2.137 179.704 177.584 -0.028 0.000 1.176 870 A CA 1.620 53.516 52.037 -0.235 0.000 0.631 870 A CB -0.538 18.429 19.000 -0.055 0.000 0.814 870 A HN 0.500 nan 8.150 nan 0.000 0.446 871 L N -0.583 120.595 121.223 -0.074 0.000 2.270 871 L HA -0.054 4.284 4.340 -0.003 0.000 0.210 871 L C 1.640 178.478 176.870 -0.053 0.000 1.104 871 L CA 0.512 55.298 54.840 -0.090 0.000 0.804 871 L CB -0.428 41.529 42.059 -0.170 0.000 0.937 871 L HN 0.333 nan 8.230 nan 0.000 0.450 872 N N -0.119 118.562 118.700 -0.032 0.000 2.457 872 N HA 0.012 4.750 4.740 -0.003 0.000 0.180 872 N C 0.236 175.764 175.510 0.031 0.000 1.050 872 N CA 0.461 53.510 53.050 -0.001 0.000 0.906 872 N CB 0.044 38.536 38.487 0.008 0.000 0.968 872 N HN 0.404 nan 8.380 nan 0.000 0.445 873 N N 0.000 118.737 118.700 0.062 0.000 1.763 873 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 873 N CA 0.000 53.106 53.050 0.094 0.000 0.885 873 N CB 0.000 38.587 38.487 0.166 0.000 1.341 873 N HN 0.000 nan 8.380 nan 0.000 0.667