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 1fwb_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVAHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.618 174.600 0.029 0.000 1.055 2 S CA 0.000 58.221 58.200 0.034 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 N N 0.018 118.735 118.700 0.029 0.000 2.284 3 N HA 0.755 5.495 4.740 -0.000 0.000 0.289 3 N C -1.875 173.656 175.510 0.035 0.000 1.179 3 N CA -0.355 52.705 53.050 0.016 0.000 0.774 3 N CB 2.632 41.121 38.487 0.004 0.000 1.548 3 N HN 0.705 nan 8.380 nan 0.000 0.473 4 I N 0.650 121.239 120.570 0.032 0.000 2.752 4 I HA 0.225 4.395 4.170 -0.000 0.000 0.295 4 I C -0.162 175.983 176.117 0.047 0.000 1.219 4 I CA -0.445 60.899 61.300 0.073 0.000 1.030 4 I CB 1.917 40.016 38.000 0.166 0.000 1.259 4 I HN 0.624 nan 8.210 nan 0.000 0.423 5 S N 6.122 121.856 115.700 0.056 0.000 2.585 5 S HA 0.332 4.802 4.470 -0.000 0.000 0.273 5 S C 1.024 175.664 174.600 0.068 0.000 1.339 5 S CA -0.408 57.814 58.200 0.037 0.000 1.028 5 S CB 1.516 64.737 63.200 0.034 0.000 0.906 5 S HN 0.813 nan 8.310 nan 0.000 0.528 6 R N 0.410 120.927 120.500 0.029 0.000 2.096 6 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 6 R C 2.403 178.778 176.300 0.124 0.000 1.127 6 R CA 1.721 57.850 56.100 0.048 0.000 0.968 6 R CB -0.440 29.856 30.300 -0.007 0.000 0.861 6 R HN 0.799 nan 8.270 nan 0.000 0.440 7 Q N 0.630 120.482 119.800 0.087 0.000 2.046 7 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 7 Q C 1.876 177.932 176.000 0.094 0.000 0.975 7 Q CA 2.082 57.935 55.803 0.084 0.000 0.836 7 Q CB -0.291 28.478 28.738 0.052 0.000 0.896 7 Q HN 0.296 nan 8.270 nan 0.000 0.428 8 A N -0.659 122.215 122.820 0.091 0.000 1.933 8 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 8 A C 2.057 179.701 177.584 0.100 0.000 1.175 8 A CA 1.496 53.576 52.037 0.071 0.000 0.628 8 A CB -1.092 17.948 19.000 0.067 0.000 0.814 8 A HN 0.623 nan 8.150 nan 0.000 0.444 9 Y N 0.529 120.877 120.300 0.080 0.000 2.145 9 Y HA -0.123 4.427 4.550 -0.000 0.000 0.286 9 Y C 2.685 178.695 175.900 0.183 0.000 1.145 9 Y CA 1.551 59.762 58.100 0.185 0.000 1.148 9 Y CB -0.444 38.100 38.460 0.139 0.000 0.981 9 Y HN 0.315 nan 8.280 nan 0.000 0.507 10 A N 0.078 123.073 122.820 0.293 0.000 1.940 10 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 10 A C 1.857 179.468 177.584 0.046 0.000 1.176 10 A CA 2.077 54.231 52.037 0.195 0.000 0.631 10 A CB -0.846 18.258 19.000 0.173 0.000 0.814 10 A HN 0.557 nan 8.150 nan 0.000 0.446 11 D N -0.902 119.500 120.400 0.002 0.000 2.218 11 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 11 D C 1.914 178.115 176.300 -0.166 0.000 0.976 11 D CA 1.177 55.144 54.000 -0.055 0.000 0.853 11 D CB -0.194 40.581 40.800 -0.042 0.000 0.939 11 D HN 0.508 nan 8.370 nan 0.000 0.481 12 M N -1.451 117.956 119.600 -0.320 0.000 2.429 12 M HA 0.071 4.551 4.480 -0.000 0.000 0.265 12 M C 0.750 176.539 176.300 -0.851 0.000 1.120 12 M CA 0.836 55.727 55.300 -0.682 0.000 1.173 12 M CB 0.365 32.322 32.600 -1.072 0.000 1.343 12 M HN -0.089 nan 8.290 nan 0.000 0.464 13 F N -0.145 119.648 119.950 -0.262 0.000 2.706 13 F HA 0.471 4.998 4.527 -0.000 0.000 0.313 13 F C 1.018 176.778 175.800 -0.066 0.000 1.096 13 F CA -0.045 57.827 58.000 -0.212 0.000 1.219 13 F CB 0.309 39.054 39.000 -0.424 0.000 1.051 13 F HN 0.210 nan 8.300 nan 0.000 0.568 14 G N 1.556 110.410 108.800 0.089 0.000 2.712 14 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.683 14 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.683 14 G C -2.978 172.053 174.900 0.217 0.000 1.320 14 G CA -1.321 43.859 45.100 0.134 0.000 0.847 14 G HN -0.047 nan 8.290 nan 0.000 0.553 15 P HA 0.433 nan 4.420 nan 0.000 0.272 15 P C 0.087 177.537 177.300 0.251 0.000 1.230 15 P CA 0.441 63.668 63.100 0.211 0.000 0.788 15 P CB 1.620 33.403 31.700 0.139 0.000 0.949 16 T N -0.385 114.307 114.554 0.230 0.000 2.773 16 T HA 0.279 4.629 4.350 -0.000 0.000 0.278 16 T C -0.477 174.300 174.700 0.128 0.000 1.011 16 T CA -0.785 61.440 62.100 0.207 0.000 1.014 16 T CB 0.626 69.629 68.868 0.226 0.000 1.293 16 T HN 0.104 nan 8.240 nan 0.000 0.554 17 V N 2.331 122.317 119.914 0.120 0.000 2.621 17 V HA 0.297 4.416 4.120 -0.000 0.000 0.300 17 V C 1.843 177.972 176.094 0.058 0.000 1.031 17 V CA 1.746 64.097 62.300 0.085 0.000 1.210 17 V CB -0.321 31.554 31.823 0.086 0.000 0.864 17 V HN 1.326 nan 8.190 nan 0.000 0.477 18 G N 3.699 112.530 108.800 0.051 0.000 2.258 18 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.233 18 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.233 18 G C -0.052 174.870 174.900 0.038 0.000 1.006 18 G CA 0.021 45.142 45.100 0.035 0.000 0.620 18 G HN 0.664 nan 8.290 nan 0.000 0.511 19 D N 1.399 121.834 120.400 0.058 0.000 2.341 19 D HA 0.546 5.186 4.640 -0.000 0.000 0.245 19 D C 0.573 176.926 176.300 0.088 0.000 1.106 19 D CA 0.386 54.430 54.000 0.073 0.000 0.905 19 D CB 1.011 41.868 40.800 0.096 0.000 1.202 19 D HN 0.410 nan 8.370 nan 0.000 0.426 20 K N 0.252 120.724 120.400 0.120 0.000 2.267 20 K HA 0.671 4.991 4.320 -0.000 0.000 0.246 20 K C -0.987 175.785 176.600 0.287 0.000 0.954 20 K CA -0.966 55.443 56.287 0.202 0.000 0.824 20 K CB 2.264 34.892 32.500 0.213 0.000 1.167 20 K HN 0.084 nan 8.250 nan 0.000 0.431 21 V N 1.732 121.784 119.914 0.229 0.000 2.638 21 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 21 V C -0.520 175.420 176.094 -0.257 0.000 1.052 21 V CA -1.012 61.304 62.300 0.027 0.000 0.885 21 V CB 1.724 33.508 31.823 -0.064 0.000 0.999 21 V HN 0.704 nan 8.190 nan 0.000 0.424 22 R N 4.046 124.135 120.500 -0.685 0.000 2.340 22 R HA 0.493 4.833 4.340 -0.000 0.000 0.300 22 R C -0.907 175.012 176.300 -0.634 0.000 1.069 22 R CA -0.511 54.916 56.100 -1.123 0.000 0.984 22 R CB 0.566 30.043 30.300 -1.373 0.000 1.003 22 R HN 0.726 nan 8.270 nan 0.000 0.459 23 L N 6.388 127.252 121.223 -0.598 0.000 2.342 23 L HA 0.240 4.580 4.340 -0.000 0.000 0.285 23 L C 1.118 177.783 176.870 -0.341 0.000 1.095 23 L CA 0.332 54.858 54.840 -0.523 0.000 0.843 23 L CB 0.480 42.141 42.059 -0.664 0.000 1.201 23 L HN 1.138 nan 8.230 nan 0.000 0.445 24 A N 4.154 126.831 122.820 -0.239 0.000 5.483 24 A HA -0.314 4.006 4.320 -0.000 0.000 0.309 24 A C 0.780 178.270 177.584 -0.156 0.000 1.898 24 A CA 1.401 53.344 52.037 -0.157 0.000 0.716 24 A CB -1.073 17.827 19.000 -0.167 0.000 1.309 24 A HN 0.952 nan 8.150 nan 0.000 0.380 25 D N 0.076 120.432 120.400 -0.074 0.000 2.525 25 D HA 0.346 4.986 4.640 -0.000 0.000 0.229 25 D C 0.705 176.929 176.300 -0.126 0.000 1.202 25 D CA 1.018 54.964 54.000 -0.090 0.000 0.828 25 D CB -1.013 39.770 40.800 -0.029 0.000 1.008 25 D HN 1.098 nan 8.370 nan 0.000 0.493 26 T N -2.726 111.733 114.554 -0.158 0.000 2.852 26 T HA 0.266 4.616 4.350 -0.000 0.000 0.281 26 T C 0.777 175.494 174.700 0.028 0.000 0.993 26 T CA -0.500 61.545 62.100 -0.092 0.000 0.933 26 T CB 1.577 70.425 68.868 -0.034 0.000 1.187 26 T HN -0.220 nan 8.240 nan 0.000 0.559 27 E N -0.001 120.376 120.200 0.294 0.000 2.463 27 E HA 0.281 4.631 4.350 -0.000 0.000 0.193 27 E C -0.087 176.597 176.600 0.140 0.000 1.041 27 E CA -0.099 56.415 56.400 0.190 0.000 0.879 27 E CB -0.158 29.636 29.700 0.157 0.000 0.997 27 E HN 0.542 nan 8.360 nan 0.000 0.478 28 L N 0.639 121.862 121.223 -0.000 0.000 2.290 28 L HA 0.280 4.620 4.340 -0.000 0.000 0.284 28 L C -0.419 176.339 176.870 -0.186 0.000 1.078 28 L CA -0.382 54.445 54.840 -0.021 0.000 0.815 28 L CB 0.476 42.495 42.059 -0.066 0.000 1.162 28 L HN -0.087 nan 8.230 nan 0.000 0.435 29 W N 4.672 125.925 121.300 -0.078 0.000 2.702 29 W HA 0.639 5.299 4.660 -0.000 0.000 0.331 29 W C -0.239 176.220 176.519 -0.101 0.000 1.049 29 W CA -0.496 56.794 57.345 -0.091 0.000 1.230 29 W CB 1.544 30.971 29.460 -0.054 0.000 1.408 29 W HN 0.239 nan 8.180 nan 0.000 0.492 30 I N -0.366 120.250 120.570 0.076 0.000 2.562 30 I HA 0.660 4.830 4.170 -0.000 0.000 0.301 30 I C -0.584 175.569 176.117 0.060 0.000 1.003 30 I CA -1.106 60.198 61.300 0.006 0.000 1.127 30 I CB 2.211 40.131 38.000 -0.133 0.000 1.304 30 I HN 0.416 nan 8.210 nan 0.000 0.446 31 E N 4.367 124.594 120.200 0.046 0.000 2.210 31 E HA 0.421 4.771 4.350 -0.000 0.000 0.266 31 E C -1.284 175.338 176.600 0.037 0.000 0.883 31 E CA -0.911 55.521 56.400 0.053 0.000 0.761 31 E CB 2.345 32.075 29.700 0.049 0.000 1.156 31 E HN 0.619 nan 8.360 nan 0.000 0.412 32 V N 5.204 125.146 119.914 0.046 0.000 2.458 32 V HA -0.055 4.065 4.120 -0.000 0.000 0.287 32 V C 0.989 177.115 176.094 0.053 0.000 1.009 32 V CA 0.723 63.052 62.300 0.049 0.000 1.091 32 V CB 0.570 32.437 31.823 0.074 0.000 0.960 32 V HN 0.840 nan 8.190 nan 0.000 0.476 33 E N 2.362 122.592 120.200 0.050 0.000 2.170 33 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 33 E C 0.203 176.843 176.600 0.067 0.000 0.981 33 E CA 0.516 56.951 56.400 0.058 0.000 0.830 33 E CB 0.361 30.098 29.700 0.062 0.000 0.775 33 E HN 0.762 nan 8.360 nan 0.000 0.470 34 D N -0.764 119.680 120.400 0.074 0.000 2.623 34 D HA 0.188 4.828 4.640 -0.000 0.000 0.241 34 D C -1.993 174.352 176.300 0.076 0.000 1.241 34 D CA -0.573 53.472 54.000 0.074 0.000 0.788 34 D CB 1.973 42.826 40.800 0.087 0.000 1.413 34 D HN -0.208 nan 8.370 nan 0.000 0.429 35 D N 2.031 122.462 120.400 0.051 0.000 2.736 35 D HA 0.218 4.858 4.640 -0.000 0.000 0.243 35 D C 0.007 176.294 176.300 -0.021 0.000 1.304 35 D CA -0.397 53.624 54.000 0.036 0.000 0.934 35 D CB 1.497 42.323 40.800 0.044 0.000 1.382 35 D HN 0.124 nan 8.370 nan 0.000 0.571 36 L N 2.522 123.746 121.223 0.003 0.000 2.627 36 L HA 0.167 4.507 4.340 -0.000 0.000 0.233 36 L C 1.390 178.223 176.870 -0.062 0.000 1.144 36 L CA 0.484 55.313 54.840 -0.017 0.000 0.892 36 L CB -0.616 41.459 42.059 0.026 0.000 1.039 36 L HN 0.363 nan 8.230 nan 0.000 0.442 37 T N -1.165 113.319 114.554 -0.117 0.000 2.824 37 T HA 0.352 4.702 4.350 -0.000 0.000 0.277 37 T C 0.136 174.667 174.700 -0.282 0.000 0.975 37 T CA -0.243 61.764 62.100 -0.156 0.000 0.966 37 T CB 0.789 69.581 68.868 -0.126 0.000 1.054 37 T HN 0.076 nan 8.240 nan 0.000 0.533 38 T N 2.939 117.362 114.554 -0.218 0.000 2.809 38 T HA 0.366 4.716 4.350 -0.000 0.000 0.296 38 T C -0.881 173.728 174.700 -0.150 0.000 1.015 38 T CA -0.205 61.773 62.100 -0.204 0.000 0.954 38 T CB -0.099 68.718 68.868 -0.085 0.000 0.950 38 T HN 0.517 nan 8.240 nan 0.000 0.450 39 Y N 2.049 122.330 120.300 -0.031 0.000 2.804 39 Y HA 0.247 4.797 4.550 -0.000 0.000 0.338 39 Y C 1.727 177.613 175.900 -0.023 0.000 1.252 39 Y CA 0.950 59.029 58.100 -0.035 0.000 1.576 39 Y CB 0.099 38.520 38.460 -0.066 0.000 1.223 39 Y HN 1.039 nan 8.280 nan 0.000 0.536 40 G N 2.087 110.964 108.800 0.128 0.000 2.238 40 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 40 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 40 G C 0.580 175.490 174.900 0.018 0.000 0.996 40 G CA -0.158 44.982 45.100 0.066 0.000 0.632 40 G HN 0.535 nan 8.290 nan 0.000 0.503 41 E N 1.104 121.300 120.200 -0.006 0.000 2.499 41 E HA 0.236 4.586 4.350 -0.000 0.000 0.199 41 E C 0.231 176.814 176.600 -0.028 0.000 1.016 41 E CA 0.003 56.397 56.400 -0.009 0.000 0.933 41 E CB 0.464 30.162 29.700 -0.003 0.000 1.050 41 E HN 0.681 nan 8.360 nan 0.000 0.462 42 E N 0.814 120.955 120.200 -0.098 0.000 2.392 42 E HA 0.066 4.416 4.350 -0.000 0.000 0.264 42 E C 0.177 176.796 176.600 0.032 0.000 1.024 42 E CA -0.120 56.218 56.400 -0.103 0.000 0.903 42 E CB 0.881 30.326 29.700 -0.424 0.000 0.963 42 E HN -0.081 nan 8.360 nan 0.000 0.432 43 V N 0.236 120.200 119.914 0.083 0.000 2.509 43 V HA 0.520 4.640 4.120 -0.000 0.000 0.284 43 V C -0.019 176.184 176.094 0.182 0.000 1.047 43 V CA -0.617 61.757 62.300 0.122 0.000 0.952 43 V CB 1.123 33.007 31.823 0.101 0.000 0.988 43 V HN 0.512 nan 8.190 nan 0.000 0.469 44 K N 3.376 123.889 120.400 0.187 0.000 2.468 44 K HA 0.570 4.890 4.320 -0.000 0.000 0.252 44 K C -1.902 174.805 176.600 0.178 0.000 0.932 44 K CA -0.629 55.770 56.287 0.186 0.000 0.794 44 K CB 2.610 35.214 32.500 0.173 0.000 1.241 44 K HN 0.753 nan 8.250 nan 0.000 0.428 45 F N 1.615 121.589 119.950 0.040 0.000 2.450 45 F HA 0.740 5.267 4.527 -0.000 0.000 0.332 45 F C 0.130 175.936 175.800 0.010 0.000 1.093 45 F CA 0.341 58.355 58.000 0.024 0.000 1.003 45 F CB 1.806 40.818 39.000 0.020 0.000 1.151 45 F HN 0.672 nan 8.300 nan 0.000 0.474 46 G N 2.287 110.358 108.800 -1.216 0.000 2.369 46 G HA2 0.346 4.305 3.960 -0.000 0.000 0.293 46 G HA3 0.346 4.305 3.960 -0.000 0.000 0.293 46 G C -0.735 173.827 174.900 -0.562 0.000 1.301 46 G CA -0.499 44.079 45.100 -0.870 0.000 0.913 46 G HN 1.086 nan 8.290 nan 0.000 0.540 47 G N -0.574 108.024 108.800 -0.338 0.000 2.248 47 G HA2 0.536 4.496 3.960 -0.000 0.000 0.260 47 G HA3 0.536 4.496 3.960 -0.000 0.000 0.260 47 G C 1.454 176.264 174.900 -0.151 0.000 1.214 47 G CA 1.791 46.768 45.100 -0.206 0.000 0.979 47 G HN 2.449 nan 8.290 nan 0.000 0.454 48 G N 1.618 110.345 108.800 -0.122 0.000 2.198 48 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 48 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 48 G C 0.780 175.641 174.900 -0.066 0.000 1.025 48 G CA 0.765 45.820 45.100 -0.075 0.000 0.769 48 G HN 0.711 nan 8.290 nan 0.000 0.507 49 K N -0.926 119.417 120.400 -0.095 0.000 2.842 49 K HA 0.636 4.956 4.320 -0.000 0.000 0.310 49 K C 1.934 178.535 176.600 0.002 0.000 0.992 49 K CA 0.025 56.282 56.287 -0.051 0.000 1.207 49 K CB -0.425 32.024 32.500 -0.086 0.000 1.478 49 K HN 0.095 nan 8.250 nan 0.000 0.601 50 V N 0.772 120.713 119.914 0.046 0.000 2.446 50 V HA 0.003 4.123 4.120 -0.000 0.000 0.244 50 V C 1.343 177.487 176.094 0.083 0.000 1.039 50 V CA 0.890 63.232 62.300 0.070 0.000 1.045 50 V CB -0.243 31.637 31.823 0.095 0.000 0.681 50 V HN 0.421 nan 8.190 nan 0.000 0.459 51 I N 2.613 123.260 120.570 0.128 0.000 2.472 51 I HA 0.156 4.326 4.170 -0.000 0.000 0.305 51 I C 0.318 176.531 176.117 0.160 0.000 1.196 51 I CA 0.710 62.108 61.300 0.163 0.000 1.613 51 I CB -0.716 37.428 38.000 0.240 0.000 1.501 51 I HN 0.244 nan 8.210 nan 0.000 0.754 52 R N 2.582 123.139 120.500 0.095 0.000 2.740 52 R HA 0.258 4.597 4.340 -0.000 0.000 0.273 52 R C -0.895 175.436 176.300 0.052 0.000 0.998 52 R CA -1.205 54.939 56.100 0.073 0.000 0.900 52 R CB 1.753 32.080 30.300 0.044 0.000 1.223 52 R HN 0.255 nan 8.270 nan 0.000 0.466 53 D N 0.466 120.891 120.400 0.043 0.000 2.658 53 D HA 0.007 4.647 4.640 -0.000 0.000 0.230 53 D C 1.236 177.551 176.300 0.025 0.000 1.118 53 D CA 2.647 56.665 54.000 0.030 0.000 0.848 53 D CB 0.377 41.191 40.800 0.024 0.000 1.160 53 D HN 0.694 nan 8.370 nan 0.000 0.497 54 G N 2.724 111.537 108.800 0.022 0.000 2.267 54 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 54 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 54 G C 0.842 175.756 174.900 0.023 0.000 0.998 54 G CA 0.945 46.057 45.100 0.020 0.000 0.620 54 G HN 0.525 nan 8.290 nan 0.000 0.529 55 M N -0.689 118.928 119.600 0.029 0.000 2.094 55 M HA 0.457 4.937 4.480 -0.000 0.000 0.163 55 M C 2.501 178.824 176.300 0.038 0.000 1.495 55 M CA 1.051 56.371 55.300 0.033 0.000 1.481 55 M CB -0.337 32.284 32.600 0.035 0.000 0.856 55 M HN 0.127 nan 8.290 nan 0.000 0.650 56 G N -0.058 108.771 108.800 0.049 0.000 2.744 56 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.211 56 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.211 56 G C 0.374 175.304 174.900 0.050 0.000 1.143 56 G CA 0.108 45.240 45.100 0.054 0.000 0.788 56 G HN 0.463 nan 8.290 nan 0.000 0.534 57 Q N 0.051 119.878 119.800 0.045 0.000 2.333 57 Q HA 0.562 4.902 4.340 -0.000 0.000 0.267 57 Q C 0.200 176.214 176.000 0.023 0.000 1.012 57 Q CA -0.684 55.139 55.803 0.035 0.000 0.824 57 Q CB 1.671 30.434 28.738 0.042 0.000 1.290 57 Q HN 0.133 nan 8.270 nan 0.000 0.449 58 G N 1.272 110.080 108.800 0.014 0.000 2.532 58 G HA2 0.134 4.094 3.960 -0.000 0.000 0.291 58 G HA3 0.134 4.094 3.960 -0.000 0.000 0.291 58 G C 0.021 174.924 174.900 0.005 0.000 1.349 58 G CA -0.218 44.888 45.100 0.010 0.000 1.038 58 G HN 0.671 nan 8.290 nan 0.000 0.518 59 Q N -0.129 119.673 119.800 0.003 0.000 2.219 59 Q HA 0.101 4.441 4.340 -0.000 0.000 0.209 59 Q C 1.029 177.026 176.000 -0.004 0.000 0.854 59 Q CA -0.302 55.502 55.803 0.000 0.000 0.960 59 Q CB 0.252 28.992 28.738 0.003 0.000 1.116 59 Q HN 0.651 nan 8.270 nan 0.000 0.500 60 M N -0.597 118.999 119.600 -0.007 0.000 2.226 60 M HA 0.260 4.740 4.480 -0.000 0.000 0.324 60 M C 0.002 176.290 176.300 -0.019 0.000 1.112 60 M CA -0.069 55.224 55.300 -0.012 0.000 1.176 60 M CB 0.260 32.851 32.600 -0.014 0.000 1.430 60 M HN -0.093 nan 8.290 nan 0.000 0.462 61 L N 2.097 123.308 121.223 -0.019 0.000 2.476 61 L HA 0.256 4.596 4.340 -0.000 0.000 0.255 61 L C 1.907 178.756 176.870 -0.035 0.000 1.218 61 L CA -0.144 54.682 54.840 -0.023 0.000 0.819 61 L CB 0.276 42.325 42.059 -0.017 0.000 1.119 61 L HN 1.016 nan 8.230 nan 0.000 0.485 62 A N 1.322 124.119 122.820 -0.038 0.000 1.948 62 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 62 A C 2.247 179.794 177.584 -0.062 0.000 1.177 62 A CA 2.022 54.028 52.037 -0.052 0.000 0.636 62 A CB -0.800 18.172 19.000 -0.046 0.000 0.815 62 A HN 0.902 nan 8.150 nan 0.000 0.449 63 A N -0.764 122.030 122.820 -0.043 0.000 2.067 63 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 63 A C 1.277 178.832 177.584 -0.048 0.000 1.158 63 A CA 1.560 53.575 52.037 -0.037 0.000 0.661 63 A CB -0.228 18.764 19.000 -0.014 0.000 0.801 63 A HN 0.461 nan 8.150 nan 0.000 0.452 64 D N -0.894 119.476 120.400 -0.051 0.000 2.424 64 D HA 0.215 4.855 4.640 -0.000 0.000 0.220 64 D C 0.170 176.416 176.300 -0.090 0.000 1.150 64 D CA 0.520 54.492 54.000 -0.048 0.000 0.831 64 D CB -0.076 40.714 40.800 -0.016 0.000 0.981 64 D HN 0.598 nan 8.370 nan 0.000 0.500 65 C N -1.312 117.901 119.300 -0.145 0.000 3.241 65 C HA 0.767 5.227 4.460 -0.000 0.000 0.312 65 C C 0.277 175.099 174.990 -0.279 0.000 1.350 65 C CA -1.185 57.723 59.018 -0.184 0.000 1.415 65 C CB 1.088 28.765 27.740 -0.105 0.000 1.770 65 C HN 0.011 nan 8.230 nan 0.000 0.466 66 V N -0.061 119.671 119.914 -0.303 0.000 2.953 66 V HA 0.424 4.544 4.120 -0.000 0.000 0.304 66 V C 0.540 176.537 176.094 -0.162 0.000 1.073 66 V CA 0.421 62.538 62.300 -0.305 0.000 1.064 66 V CB 0.714 32.383 31.823 -0.256 0.000 1.047 66 V HN 0.909 nan 8.190 nan 0.000 0.478 67 D N 0.780 121.105 120.400 -0.125 0.000 2.213 67 D HA 0.163 4.803 4.640 -0.000 0.000 0.205 67 D C 0.197 176.457 176.300 -0.067 0.000 0.961 67 D CA 1.234 55.185 54.000 -0.083 0.000 0.853 67 D CB 0.590 41.355 40.800 -0.058 0.000 0.967 67 D HN 0.501 nan 8.370 nan 0.000 0.496 68 L N 0.062 121.254 121.223 -0.052 0.000 2.472 68 L HA 0.480 4.820 4.340 -0.000 0.000 0.260 68 L C -1.709 175.154 176.870 -0.012 0.000 0.963 68 L CA -0.837 53.982 54.840 -0.034 0.000 0.829 68 L CB 2.608 44.659 42.059 -0.014 0.000 1.348 68 L HN -0.277 nan 8.230 nan 0.000 0.408 69 V N 5.555 125.462 119.914 -0.011 0.000 2.638 69 V HA 0.618 4.738 4.120 -0.000 0.000 0.306 69 V C -1.403 174.708 176.094 0.029 0.000 1.052 69 V CA -0.465 61.847 62.300 0.020 0.000 0.885 69 V CB 2.015 33.849 31.823 0.019 0.000 0.999 69 V HN 0.716 nan 8.190 nan 0.000 0.424 70 L N 6.516 127.774 121.223 0.058 0.000 2.264 70 L HA 0.513 4.853 4.340 -0.000 0.000 0.287 70 L C 0.672 177.593 176.870 0.084 0.000 1.039 70 L CA 0.103 54.983 54.840 0.067 0.000 0.829 70 L CB 1.630 43.737 42.059 0.080 0.000 1.211 70 L HN 0.854 nan 8.230 nan 0.000 0.427 71 T N -0.197 114.408 114.554 0.085 0.000 2.869 71 T HA 0.260 4.610 4.350 -0.000 0.000 0.295 71 T C 0.560 175.333 174.700 0.121 0.000 0.987 71 T CA -0.692 61.471 62.100 0.105 0.000 1.109 71 T CB 0.472 69.410 68.868 0.117 0.000 0.932 71 T HN 0.594 nan 8.240 nan 0.000 0.518 72 N N 0.166 118.944 118.700 0.131 0.000 2.714 72 N HA -0.154 4.586 4.740 -0.000 0.000 0.253 72 N C -0.045 175.548 175.510 0.138 0.000 1.024 72 N CA 0.837 53.976 53.050 0.148 0.000 0.726 72 N CB -1.631 36.971 38.487 0.192 0.000 0.908 72 N HN 1.119 nan 8.380 nan 0.000 0.542 73 A N 0.149 123.045 122.820 0.128 0.000 2.327 73 A HA 0.582 4.902 4.320 -0.000 0.000 0.283 73 A C 0.404 178.061 177.584 0.121 0.000 1.127 73 A CA -0.569 51.544 52.037 0.126 0.000 0.810 73 A CB 0.860 19.937 19.000 0.128 0.000 1.066 73 A HN 0.315 nan 8.150 nan 0.000 0.492 74 L N 4.065 125.356 121.223 0.112 0.000 2.272 74 L HA 0.454 4.793 4.340 -0.000 0.000 0.284 74 L C -0.493 176.416 176.870 0.066 0.000 1.045 74 L CA -0.177 54.712 54.840 0.082 0.000 0.842 74 L CB -0.201 41.895 42.059 0.063 0.000 1.224 74 L HN 0.557 nan 8.230 nan 0.000 0.430 75 I N 5.177 125.775 120.570 0.046 0.000 2.496 75 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 75 I C -0.362 175.684 176.117 -0.118 0.000 1.080 75 I CA -0.403 60.897 61.300 0.000 0.000 1.404 75 I CB 1.120 39.122 38.000 0.004 0.000 1.403 75 I HN 0.233 nan 8.210 nan 0.000 0.539 76 V N 5.679 125.534 119.914 -0.098 0.000 2.380 76 V HA 0.422 4.542 4.120 -0.000 0.000 0.286 76 V C -0.612 175.381 176.094 -0.169 0.000 1.015 76 V CA -0.346 61.866 62.300 -0.147 0.000 0.834 76 V CB 1.530 33.302 31.823 -0.084 0.000 1.009 76 V HN 0.692 nan 8.190 nan 0.000 0.428 77 D N 0.798 120.952 120.400 -0.411 0.000 2.626 77 D HA 0.314 4.954 4.640 -0.000 0.000 0.278 77 D C 0.844 176.887 176.300 -0.428 0.000 1.211 77 D CA -0.419 53.306 54.000 -0.458 0.000 0.903 77 D CB 1.542 41.835 40.800 -0.845 0.000 1.408 77 D HN 0.688 nan 8.370 nan 0.000 0.454 78 H N -0.124 118.861 119.070 -0.142 0.000 2.457 78 H HA -0.060 4.496 4.556 -0.000 0.000 0.297 78 H C 1.421 176.865 175.328 0.193 0.000 1.092 78 H CA 1.805 57.897 56.048 0.074 0.000 1.309 78 H CB -0.321 29.505 29.762 0.107 0.000 1.382 78 H HN 0.505 nan 8.280 nan 0.000 0.535 79 W N 0.422 121.549 121.300 -0.289 0.000 3.077 79 W HA 0.583 5.243 4.660 -0.000 0.000 0.266 79 W C -0.117 176.417 176.519 0.024 0.000 1.300 79 W CA 0.183 57.482 57.345 -0.076 0.000 1.586 79 W CB 0.134 29.465 29.460 -0.214 0.000 1.103 79 W HN 0.401 nan 8.180 nan 0.000 0.652 80 G N 0.924 109.503 108.800 -0.367 0.000 2.325 80 G HA2 0.393 4.353 3.960 -0.000 0.000 0.297 80 G HA3 0.393 4.353 3.960 -0.000 0.000 0.297 80 G C -2.062 172.584 174.900 -0.423 0.000 1.448 80 G CA -1.086 43.886 45.100 -0.214 0.000 0.838 80 G HN 0.049 nan 8.290 nan 0.000 0.579 81 I N 1.504 121.965 120.570 -0.181 0.000 2.464 81 I HA 0.475 4.645 4.170 -0.000 0.000 0.277 81 I C 0.157 176.243 176.117 -0.053 0.000 1.040 81 I CA -0.946 60.265 61.300 -0.148 0.000 1.153 81 I CB 1.370 39.314 38.000 -0.093 0.000 1.274 81 I HN 0.576 nan 8.210 nan 0.000 0.469 82 V N 2.205 122.094 119.914 -0.041 0.000 3.040 82 V HA 0.670 4.790 4.120 -0.000 0.000 0.312 82 V C -0.686 175.456 176.094 0.080 0.000 1.115 82 V CA -1.047 61.289 62.300 0.061 0.000 0.998 82 V CB 2.212 34.129 31.823 0.157 0.000 1.042 82 V HN 0.517 nan 8.190 nan 0.000 0.433 83 K N 1.856 122.316 120.400 0.100 0.000 2.211 83 K HA 0.906 5.226 4.320 -0.000 0.000 0.275 83 K C -0.441 176.228 176.600 0.115 0.000 1.024 83 K CA 0.674 57.029 56.287 0.113 0.000 0.887 83 K CB 0.927 33.506 32.500 0.131 0.000 1.084 83 K HN 1.647 nan 8.250 nan 0.000 0.463 84 A N 3.191 126.085 122.820 0.122 0.000 2.544 84 A HA 0.411 4.731 4.320 -0.000 0.000 0.291 84 A C -1.741 175.913 177.584 0.117 0.000 1.055 84 A CA -0.958 51.148 52.037 0.114 0.000 0.651 84 A CB 0.762 19.841 19.000 0.133 0.000 1.296 84 A HN 0.660 nan 8.150 nan 0.000 0.431 85 D N 0.384 120.846 120.400 0.104 0.000 2.225 85 D HA 0.613 5.253 4.640 -0.000 0.000 0.249 85 D C -0.581 175.789 176.300 0.117 0.000 1.052 85 D CA 0.323 54.386 54.000 0.105 0.000 0.909 85 D CB 1.440 42.294 40.800 0.090 0.000 1.186 85 D HN 0.432 nan 8.370 nan 0.000 0.431 86 I N 0.724 121.365 120.570 0.119 0.000 2.436 86 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 86 I C 0.617 176.811 176.117 0.128 0.000 1.010 86 I CA -0.786 60.593 61.300 0.132 0.000 1.098 86 I CB 2.121 40.203 38.000 0.137 0.000 1.266 86 I HN 0.197 nan 8.210 nan 0.000 0.434 87 G N 5.412 114.313 108.800 0.169 0.000 2.372 87 G HA2 0.618 4.578 3.960 -0.000 0.000 0.323 87 G HA3 0.618 4.578 3.960 -0.000 0.000 0.323 87 G C -0.976 174.045 174.900 0.200 0.000 1.152 87 G CA -0.354 44.854 45.100 0.180 0.000 0.906 87 G HN 0.333 nan 8.290 nan 0.000 0.460 88 V N 2.081 122.063 119.914 0.112 0.000 2.487 88 V HA 0.620 4.740 4.120 -0.000 0.000 0.298 88 V C -0.095 176.025 176.094 0.043 0.000 1.028 88 V CA -0.800 61.565 62.300 0.109 0.000 0.860 88 V CB 1.770 33.640 31.823 0.078 0.000 0.991 88 V HN 0.807 nan 8.190 nan 0.000 0.427 89 K N 3.068 123.514 120.400 0.076 0.000 2.513 89 K HA 0.413 4.733 4.320 -0.000 0.000 0.251 89 K C -0.708 175.930 176.600 0.065 0.000 0.939 89 K CA -0.479 55.810 56.287 0.004 0.000 0.793 89 K CB 1.413 33.841 32.500 -0.119 0.000 1.241 89 K HN 0.680 nan 8.250 nan 0.000 0.431 90 D N 3.033 123.460 120.400 0.045 0.000 2.870 90 D HA -0.180 4.460 4.640 -0.000 0.000 0.228 90 D C 0.585 176.943 176.300 0.096 0.000 1.147 90 D CA 1.818 55.863 54.000 0.076 0.000 0.757 90 D CB -1.140 39.708 40.800 0.079 0.000 1.091 90 D HN 1.107 nan 8.370 nan 0.000 0.429 91 G N -0.491 108.362 108.800 0.089 0.000 2.184 91 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.264 91 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.264 91 G C 0.365 175.316 174.900 0.085 0.000 0.975 91 G CA 0.752 45.907 45.100 0.091 0.000 0.642 91 G HN 0.541 nan 8.290 nan 0.000 0.536 92 R N -0.915 119.643 120.500 0.097 0.000 2.888 92 R HA 0.651 4.991 4.340 -0.000 0.000 0.266 92 R C 0.115 176.495 176.300 0.134 0.000 1.020 92 R CA -1.193 54.970 56.100 0.105 0.000 0.963 92 R CB 1.336 31.695 30.300 0.098 0.000 1.197 92 R HN 0.157 nan 8.270 nan 0.000 0.481 93 I N 2.514 123.160 120.570 0.125 0.000 2.505 93 I HA -0.069 4.101 4.170 -0.000 0.000 0.287 93 I C 0.900 177.110 176.117 0.154 0.000 1.104 93 I CA 0.333 61.716 61.300 0.139 0.000 1.387 93 I CB 0.220 38.288 38.000 0.114 0.000 1.404 93 I HN 0.606 nan 8.210 nan 0.000 0.528 94 F N 6.958 126.931 119.950 0.038 0.000 2.147 94 F HA 0.394 4.921 4.527 -0.000 0.000 0.291 94 F C 1.021 176.833 175.800 0.020 0.000 1.093 94 F CA 0.736 58.752 58.000 0.027 0.000 1.263 94 F CB 0.317 39.332 39.000 0.025 0.000 1.036 94 F HN 0.463 nan 8.300 nan 0.000 0.481 95 A N -0.265 122.597 122.820 0.070 0.000 2.597 95 A HA 0.591 4.911 4.320 -0.000 0.000 0.292 95 A C -1.646 175.979 177.584 0.068 0.000 1.057 95 A CA -0.582 51.427 52.037 -0.048 0.000 0.674 95 A CB 0.458 19.392 19.000 -0.111 0.000 1.278 95 A HN 0.105 nan 8.150 nan 0.000 0.416 96 I N 1.540 122.125 120.570 0.024 0.000 2.411 96 I HA 0.634 4.804 4.170 -0.000 0.000 0.284 96 I C 0.703 176.850 176.117 0.050 0.000 1.012 96 I CA 0.341 61.684 61.300 0.071 0.000 1.119 96 I CB 1.623 39.668 38.000 0.076 0.000 1.261 96 I HN 1.082 nan 8.210 nan 0.000 0.448 97 G N 5.395 114.238 108.800 0.073 0.000 2.818 97 G HA2 0.219 4.179 3.960 -0.000 0.000 0.109 97 G HA3 0.219 4.179 3.960 -0.000 0.000 0.109 97 G C -1.484 173.449 174.900 0.056 0.000 1.206 97 G CA -0.370 44.762 45.100 0.053 0.000 1.243 97 G HN 0.279 nan 8.290 nan 0.000 0.609 98 K N 1.139 121.567 120.400 0.047 0.000 2.450 98 K HA 0.715 5.035 4.320 -0.000 0.000 0.257 98 K C -0.341 176.291 176.600 0.052 0.000 0.953 98 K CA -0.279 56.031 56.287 0.038 0.000 0.844 98 K CB 1.191 33.699 32.500 0.013 0.000 1.103 98 K HN 0.756 nan 8.250 nan 0.000 0.429 99 A N 2.418 125.273 122.820 0.058 0.000 2.279 99 A HA 0.860 5.180 4.320 -0.000 0.000 0.303 99 A C 0.347 177.960 177.584 0.049 0.000 1.108 99 A CA 0.407 52.480 52.037 0.060 0.000 0.830 99 A CB 0.837 19.876 19.000 0.065 0.000 1.106 99 A HN 0.905 nan 8.150 nan 0.000 0.493 100 G N 0.082 108.909 108.800 0.044 0.000 2.332 100 G HA2 0.273 4.233 3.960 -0.000 0.000 0.265 100 G HA3 0.273 4.233 3.960 -0.000 0.000 0.265 100 G C -1.469 173.451 174.900 0.032 0.000 1.329 100 G CA -0.259 44.865 45.100 0.040 0.000 0.949 100 G HN 1.095 nan 8.290 nan 0.000 0.476 101 N N 0.900 119.618 118.700 0.030 0.000 2.476 101 N HA 0.614 5.354 4.740 -0.000 0.000 0.257 101 N C -1.643 173.881 175.510 0.023 0.000 0.970 101 N CA -2.321 50.744 53.050 0.025 0.000 0.938 101 N CB 2.417 40.919 38.487 0.025 0.000 1.144 101 N HN 0.024 nan 8.380 nan 0.000 0.500 102 P HA -0.027 nan 4.420 nan 0.000 0.225 102 P C 0.217 177.528 177.300 0.018 0.000 1.148 102 P CA 0.812 63.925 63.100 0.021 0.000 0.779 102 P CB 0.439 32.153 31.700 0.023 0.000 0.780 103 D N -0.744 119.666 120.400 0.017 0.000 2.178 103 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 103 D C 1.659 177.969 176.300 0.016 0.000 0.974 103 D CA 1.189 55.198 54.000 0.015 0.000 0.841 103 D CB -0.118 40.691 40.800 0.014 0.000 0.953 103 D HN 0.357 nan 8.370 nan 0.000 0.478 104 I N -3.844 116.737 120.570 0.018 0.000 4.655 104 I HA 0.235 4.405 4.170 -0.000 0.000 0.333 104 I C -0.021 176.108 176.117 0.019 0.000 1.312 104 I CA -0.415 60.896 61.300 0.018 0.000 1.270 104 I CB 0.394 38.406 38.000 0.020 0.000 1.318 104 I HN -0.322 nan 8.210 nan 0.000 0.456 105 Q N 3.551 123.362 119.800 0.020 0.000 2.306 105 Q HA 0.562 4.902 4.340 -0.000 0.000 0.265 105 Q C -2.566 173.443 176.000 0.015 0.000 1.022 105 Q CA -1.999 53.815 55.803 0.018 0.000 0.853 105 Q CB 2.133 30.884 28.738 0.021 0.000 1.327 105 Q HN 0.101 nan 8.270 nan 0.000 0.449 106 P HA 0.170 nan 4.420 nan 0.000 0.282 106 P C -1.031 176.271 177.300 0.004 0.000 1.259 106 P CA -0.304 62.800 63.100 0.007 0.000 0.826 106 P CB 0.697 32.399 31.700 0.004 0.000 1.064 107 N N -1.833 116.869 118.700 0.003 0.000 2.708 107 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 107 N C -0.389 175.127 175.510 0.011 0.000 1.097 107 N CA 0.202 53.253 53.050 0.002 0.000 0.710 107 N CB -1.722 36.758 38.487 -0.011 0.000 1.032 107 N HN 0.154 nan 8.380 nan 0.000 0.551 108 V N 0.899 120.825 119.914 0.020 0.000 2.470 108 V HA 0.148 4.268 4.120 -0.000 0.000 0.276 108 V C 1.671 177.793 176.094 0.045 0.000 1.040 108 V CA 0.961 63.280 62.300 0.032 0.000 1.008 108 V CB 1.170 33.014 31.823 0.034 0.000 0.990 108 V HN 0.506 nan 8.190 nan 0.000 0.477 109 T N 1.650 116.239 114.554 0.059 0.000 2.971 109 T HA 0.384 4.734 4.350 -0.000 0.000 0.252 109 T C 0.329 175.122 174.700 0.155 0.000 1.022 109 T CA 0.189 62.338 62.100 0.080 0.000 0.980 109 T CB 0.130 69.026 68.868 0.047 0.000 1.044 109 T HN 0.349 nan 8.240 nan 0.000 0.501 110 I N 3.943 124.596 120.570 0.139 0.000 2.502 110 I HA 0.360 4.530 4.170 -0.000 0.000 0.276 110 I C -2.693 173.471 176.117 0.080 0.000 1.057 110 I CA -2.694 58.708 61.300 0.170 0.000 1.163 110 I CB 1.942 40.036 38.000 0.158 0.000 1.288 110 I HN -0.049 nan 8.210 nan 0.000 0.479 111 P HA 0.233 nan 4.420 nan 0.000 0.276 111 P C -0.537 176.747 177.300 -0.027 0.000 1.235 111 P CA 0.147 63.252 63.100 0.008 0.000 0.772 111 P CB 1.316 33.016 31.700 0.001 0.000 0.871 112 I N 2.559 123.123 120.570 -0.009 0.000 2.354 112 I HA 0.545 4.715 4.170 -0.000 0.000 0.292 112 I C 1.037 177.144 176.117 -0.017 0.000 0.989 112 I CA -0.154 61.136 61.300 -0.017 0.000 1.188 112 I CB 1.856 39.860 38.000 0.006 0.000 1.342 112 I HN 0.434 nan 8.210 nan 0.000 0.457 113 G N 2.875 111.655 108.800 -0.032 0.000 3.086 113 G HA2 0.547 4.507 3.960 -0.000 0.000 0.282 113 G HA3 0.547 4.507 3.960 -0.000 0.000 0.282 113 G C 0.537 175.420 174.900 -0.028 0.000 1.343 113 G CA 0.042 45.126 45.100 -0.025 0.000 0.895 113 G HN 0.601 nan 8.290 nan 0.000 0.557 114 A N -0.785 122.021 122.820 -0.024 0.000 2.024 114 A HA 0.252 4.572 4.320 -0.000 0.000 0.220 114 A C 2.324 179.885 177.584 -0.040 0.000 1.164 114 A CA 2.522 54.545 52.037 -0.025 0.000 0.643 114 A CB -0.603 18.385 19.000 -0.019 0.000 0.806 114 A HN 1.514 nan 8.150 nan 0.000 0.451 115 A N -0.763 122.028 122.820 -0.048 0.000 2.278 115 A HA 0.343 4.663 4.320 -0.000 0.000 0.212 115 A C 0.720 178.261 177.584 -0.072 0.000 1.213 115 A CA 0.579 52.580 52.037 -0.060 0.000 0.840 115 A CB -0.494 18.470 19.000 -0.060 0.000 0.866 115 A HN 0.276 nan 8.150 nan 0.000 0.489 116 T N 0.875 115.386 114.554 -0.072 0.000 2.749 116 T HA 0.430 4.780 4.350 -0.000 0.000 0.287 116 T C -0.312 174.326 174.700 -0.104 0.000 0.970 116 T CA -0.350 61.701 62.100 -0.082 0.000 0.980 116 T CB 1.506 70.332 68.868 -0.071 0.000 0.924 116 T HN 0.447 nan 8.240 nan 0.000 0.456 117 E N 2.431 122.565 120.200 -0.110 0.000 2.283 117 E HA 0.525 4.875 4.350 -0.000 0.000 0.271 117 E C -1.182 175.323 176.600 -0.158 0.000 1.031 117 E CA -0.645 55.667 56.400 -0.147 0.000 0.868 117 E CB 0.918 30.547 29.700 -0.117 0.000 1.094 117 E HN 0.324 nan 8.360 nan 0.000 0.401 118 V N 4.738 124.506 119.914 -0.242 0.000 2.540 118 V HA 0.448 4.568 4.120 -0.000 0.000 0.302 118 V C -0.262 175.739 176.094 -0.154 0.000 1.035 118 V CA -0.672 61.502 62.300 -0.210 0.000 0.873 118 V CB 1.570 33.200 31.823 -0.323 0.000 0.992 118 V HN 0.671 nan 8.190 nan 0.000 0.428 119 I N 3.571 124.106 120.570 -0.058 0.000 2.410 119 I HA 0.574 4.744 4.170 -0.000 0.000 0.286 119 I C 0.413 176.547 176.117 0.029 0.000 1.009 119 I CA -0.644 60.648 61.300 -0.014 0.000 1.111 119 I CB 1.846 39.847 38.000 0.001 0.000 1.262 119 I HN 0.713 nan 8.210 nan 0.000 0.443 120 A N 5.108 127.959 122.820 0.052 0.000 2.376 120 A HA 0.575 4.895 4.320 -0.000 0.000 0.298 120 A C 0.796 178.424 177.584 0.073 0.000 1.271 120 A CA -0.092 51.994 52.037 0.082 0.000 0.926 120 A CB 0.334 19.395 19.000 0.101 0.000 1.141 120 A HN 0.889 nan 8.150 nan 0.000 0.539 121 A N 2.879 125.750 122.820 0.085 0.000 2.430 121 A HA 0.259 4.579 4.320 -0.000 0.000 0.243 121 A C 0.713 178.357 177.584 0.100 0.000 1.254 121 A CA -0.216 51.876 52.037 0.092 0.000 0.914 121 A CB -0.123 18.936 19.000 0.100 0.000 0.998 121 A HN 0.820 nan 8.150 nan 0.000 0.515 122 E N 0.138 120.395 120.200 0.096 0.000 2.415 122 E HA 0.288 4.638 4.350 -0.000 0.000 0.260 122 E C 0.825 177.469 176.600 0.074 0.000 1.016 122 E CA 0.556 57.012 56.400 0.094 0.000 0.924 122 E CB 0.097 29.841 29.700 0.074 0.000 0.961 122 E HN 0.917 nan 8.360 nan 0.000 0.459 123 G N 2.858 111.710 108.800 0.086 0.000 2.176 123 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.253 123 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.253 123 G C -0.026 174.931 174.900 0.095 0.000 0.979 123 G CA 0.290 45.436 45.100 0.077 0.000 0.641 123 G HN 0.483 nan 8.290 nan 0.000 0.530 124 K N -0.220 120.247 120.400 0.112 0.000 2.281 124 K HA 0.760 5.080 4.320 -0.000 0.000 0.242 124 K C -0.070 176.627 176.600 0.162 0.000 0.971 124 K CA -0.888 55.489 56.287 0.149 0.000 0.834 124 K CB 2.050 34.637 32.500 0.144 0.000 1.181 124 K HN 0.196 nan 8.250 nan 0.000 0.435 125 I N 1.349 122.059 120.570 0.233 0.000 2.377 125 I HA 0.264 4.433 4.170 -0.000 0.000 0.293 125 I C -0.499 175.846 176.117 0.380 0.000 0.987 125 I CA -1.062 60.386 61.300 0.245 0.000 1.185 125 I CB 1.833 39.955 38.000 0.203 0.000 1.341 125 I HN 0.012 nan 8.210 nan 0.000 0.455 126 V N 4.693 124.782 119.914 0.292 0.000 2.495 126 V HA 0.599 4.719 4.120 -0.000 0.000 0.298 126 V C 0.063 176.347 176.094 0.317 0.000 1.031 126 V CA -0.391 62.085 62.300 0.294 0.000 0.871 126 V CB 1.936 33.872 31.823 0.189 0.000 0.988 126 V HN 0.899 nan 8.190 nan 0.000 0.432 127 T N 1.491 116.283 114.554 0.397 0.000 2.887 127 T HA 0.868 5.218 4.350 -0.000 0.000 0.292 127 T C -0.112 174.771 174.700 0.305 0.000 1.087 127 T CA -0.381 61.945 62.100 0.377 0.000 1.009 127 T CB 1.943 71.153 68.868 0.570 0.000 1.203 127 T HN 1.001 nan 8.240 nan 0.000 0.518 128 A N 0.425 123.405 122.820 0.267 0.000 2.366 128 A HA 0.688 5.008 4.320 -0.000 0.000 0.249 128 A C 0.958 178.700 177.584 0.263 0.000 1.084 128 A CA -0.134 52.042 52.037 0.232 0.000 0.794 128 A CB -0.626 18.501 19.000 0.212 0.000 1.034 128 A HN 1.371 nan 8.150 nan 0.000 0.491 129 G N -0.167 108.762 108.800 0.215 0.000 2.483 129 G HA2 0.478 4.438 3.960 -0.000 0.000 0.248 129 G HA3 0.478 4.438 3.960 -0.000 0.000 0.248 129 G C 0.538 175.596 174.900 0.264 0.000 1.248 129 G CA 0.194 45.424 45.100 0.217 0.000 0.838 129 G HN 1.136 nan 8.290 nan 0.000 0.566 130 G N -0.553 108.436 108.800 0.314 0.000 2.636 130 G HA2 0.455 4.415 3.960 -0.000 0.000 0.246 130 G HA3 0.455 4.415 3.960 -0.000 0.000 0.246 130 G C -0.304 174.742 174.900 0.244 0.000 1.216 130 G CA -0.535 44.792 45.100 0.378 0.000 0.854 130 G HN 0.638 nan 8.290 nan 0.000 0.572 131 I N 0.951 121.662 120.570 0.236 0.000 2.476 131 I HA 0.165 4.335 4.170 -0.000 0.000 0.281 131 I C -1.257 174.941 176.117 0.135 0.000 1.040 131 I CA -0.697 60.699 61.300 0.161 0.000 1.094 131 I CB 2.053 40.133 38.000 0.133 0.000 1.219 131 I HN 0.304 nan 8.210 nan 0.000 0.450 132 D N 4.588 125.044 120.400 0.092 0.000 2.329 132 D HA 0.203 4.843 4.640 -0.000 0.000 0.232 132 D C 0.889 177.206 176.300 0.029 0.000 1.088 132 D CA -0.175 53.857 54.000 0.053 0.000 0.835 132 D CB 1.539 42.340 40.800 0.002 0.000 1.078 132 D HN 0.606 nan 8.370 nan 0.000 0.495 133 T N 0.315 114.905 114.554 0.061 0.000 3.186 133 T HA 0.115 4.465 4.350 -0.000 0.000 0.257 133 T C 0.572 175.293 174.700 0.035 0.000 1.029 133 T CA -0.120 61.997 62.100 0.029 0.000 0.916 133 T CB -0.455 68.488 68.868 0.126 0.000 1.041 133 T HN 0.492 nan 8.240 nan 0.000 0.562 134 H N 0.677 119.634 119.070 -0.188 0.000 2.439 134 H HA 0.450 5.006 4.556 -0.000 0.000 0.230 134 H C -0.860 174.290 175.328 -0.298 0.000 1.420 134 H CA -0.956 54.845 56.048 -0.411 0.000 1.305 134 H CB -0.069 29.283 29.762 -0.684 0.000 1.667 134 H HN 0.185 nan 8.280 nan 0.000 0.515 135 I N 2.170 122.641 120.570 -0.165 0.000 2.353 135 I HA 0.139 4.309 4.170 -0.000 0.000 0.293 135 I C 0.245 176.109 176.117 -0.422 0.000 0.992 135 I CA -0.323 60.751 61.300 -0.377 0.000 1.268 135 I CB 1.159 38.681 38.000 -0.797 0.000 1.387 135 I HN 0.563 nan 8.210 nan 0.000 0.478 136 H N 5.503 124.391 119.070 -0.303 0.000 2.581 136 H HA 0.135 4.691 4.556 -0.000 0.000 0.308 136 H C -0.781 174.443 175.328 -0.172 0.000 1.040 136 H CA -0.337 55.628 56.048 -0.139 0.000 1.231 136 H CB 0.658 30.404 29.762 -0.026 0.000 1.396 136 H HN 0.554 nan 8.280 nan 0.000 0.467 137 W N 5.516 126.886 121.300 0.117 0.000 1.564 137 W HA 0.130 4.790 4.660 -0.000 0.000 0.480 137 W C 1.025 177.589 176.519 0.076 0.000 0.699 137 W CA -0.298 57.095 57.345 0.081 0.000 1.985 137 W CB -0.297 29.193 29.460 0.049 0.000 1.738 137 W HN 0.635 nan 8.180 nan 0.000 0.218 138 I N 1.235 121.966 120.570 0.267 0.000 2.584 138 I HA -0.072 4.098 4.170 -0.000 0.000 0.255 138 I C 1.088 177.314 176.117 0.181 0.000 1.145 138 I CA 0.637 62.055 61.300 0.197 0.000 1.462 138 I CB -0.097 38.018 38.000 0.191 0.000 1.102 138 I HN 0.247 nan 8.210 nan 0.000 0.433 139 C N -2.136 117.289 119.300 0.208 0.000 3.171 139 C HA 0.388 4.848 4.460 -0.000 0.000 0.336 139 C C -1.943 173.176 174.990 0.216 0.000 1.198 139 C CA -1.369 57.751 59.018 0.169 0.000 1.319 139 C CB 1.283 29.093 27.740 0.117 0.000 1.682 139 C HN -0.041 nan 8.230 nan 0.000 0.497 140 P HA -0.074 nan 4.420 nan 0.000 0.223 140 P C 1.077 178.465 177.300 0.147 0.000 1.151 140 P CA 1.529 64.717 63.100 0.147 0.000 0.787 140 P CB 0.229 31.965 31.700 0.060 0.000 0.788 141 Q N 0.187 120.055 119.800 0.113 0.000 2.297 141 Q HA -0.139 4.201 4.340 -0.000 0.000 0.208 141 Q C 2.371 178.428 176.000 0.095 0.000 0.981 141 Q CA 1.299 57.153 55.803 0.085 0.000 0.876 141 Q CB -0.854 27.919 28.738 0.058 0.000 0.921 141 Q HN 0.444 nan 8.270 nan 0.000 0.446 142 Q N -0.544 119.334 119.800 0.131 0.000 2.181 142 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 142 Q C 2.004 178.079 176.000 0.125 0.000 0.980 142 Q CA 1.223 57.089 55.803 0.106 0.000 0.862 142 Q CB -0.212 28.586 28.738 0.099 0.000 0.905 142 Q HN 0.498 nan 8.270 nan 0.000 0.429 143 A N 1.104 124.050 122.820 0.210 0.000 1.902 143 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 143 A C 1.887 179.533 177.584 0.103 0.000 1.181 143 A CA 1.665 53.822 52.037 0.199 0.000 0.623 143 A CB -0.469 18.665 19.000 0.224 0.000 0.818 143 A HN 0.434 nan 8.150 nan 0.000 0.443 144 E N -0.675 119.571 120.200 0.076 0.000 2.106 144 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 144 E C 1.949 178.555 176.600 0.009 0.000 0.984 144 E CA 1.241 57.665 56.400 0.040 0.000 0.806 144 E CB -0.079 29.645 29.700 0.040 0.000 0.750 144 E HN 0.581 nan 8.360 nan 0.000 0.458 145 E N 0.380 120.588 120.200 0.013 0.000 2.051 145 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 145 E C 1.752 178.333 176.600 -0.032 0.000 0.991 145 E CA 1.551 57.940 56.400 -0.017 0.000 0.799 145 E CB -0.281 29.413 29.700 -0.010 0.000 0.748 145 E HN 0.347 nan 8.360 nan 0.000 0.449 146 A N 0.167 122.983 122.820 -0.006 0.000 1.898 146 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 146 A C 2.187 179.767 177.584 -0.007 0.000 1.181 146 A CA 1.381 53.414 52.037 -0.006 0.000 0.620 146 A CB -0.775 18.234 19.000 0.015 0.000 0.819 146 A HN 0.355 nan 8.150 nan 0.000 0.442 147 L N -0.036 121.189 121.223 0.004 0.000 2.012 147 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 147 L C 2.395 179.221 176.870 -0.074 0.000 1.073 147 L CA 1.848 56.684 54.840 -0.006 0.000 0.748 147 L CB -0.451 41.616 42.059 0.015 0.000 0.891 147 L HN 0.160 nan 8.230 nan 0.000 0.431 148 V N -0.407 119.428 119.914 -0.131 0.000 2.469 148 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 148 V C 2.644 178.557 176.094 -0.303 0.000 1.064 148 V CA 1.709 63.815 62.300 -0.324 0.000 1.066 148 V CB -0.860 30.699 31.823 -0.440 0.000 0.667 148 V HN 0.771 nan 8.190 nan 0.000 0.461 149 S N -0.353 115.264 115.700 -0.139 0.000 2.489 149 S HA 0.206 4.676 4.470 -0.000 0.000 0.228 149 S C 1.564 176.193 174.600 0.047 0.000 0.995 149 S CA 0.916 59.096 58.200 -0.034 0.000 0.934 149 S CB 0.567 63.758 63.200 -0.013 0.000 0.771 149 S HN 1.186 nan 8.310 nan 0.000 0.522 150 G N -0.191 108.597 108.800 -0.021 0.000 2.148 150 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.157 150 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.157 150 G C -0.216 174.746 174.900 0.104 0.000 1.012 150 G CA -0.202 44.909 45.100 0.017 0.000 0.677 150 G HN 0.591 nan 8.290 nan 0.000 0.506 151 V N 1.943 121.899 119.914 0.069 0.000 2.370 151 V HA 0.584 4.704 4.120 -0.000 0.000 0.279 151 V C 1.384 177.535 176.094 0.096 0.000 1.029 151 V CA 0.668 63.027 62.300 0.098 0.000 0.870 151 V CB 1.386 33.247 31.823 0.063 0.000 0.984 151 V HN 0.595 nan 8.190 nan 0.000 0.451 152 T N -0.299 114.330 114.554 0.124 0.000 3.023 152 T HA 0.160 4.510 4.350 -0.000 0.000 0.253 152 T C 0.595 175.385 174.700 0.151 0.000 1.038 152 T CA -0.041 62.131 62.100 0.121 0.000 0.962 152 T CB 0.279 69.216 68.868 0.115 0.000 1.018 152 T HN 0.532 nan 8.240 nan 0.000 0.521 153 T N 2.381 117.036 114.554 0.169 0.000 2.881 153 T HA 0.678 5.028 4.350 -0.000 0.000 0.290 153 T C -1.032 173.778 174.700 0.183 0.000 1.000 153 T CA -0.560 61.666 62.100 0.211 0.000 0.978 153 T CB 1.731 70.737 68.868 0.230 0.000 0.997 153 T HN 0.190 nan 8.240 nan 0.000 0.443 154 M N 3.178 122.918 119.600 0.232 0.000 2.197 154 M HA 0.527 5.007 4.480 -0.000 0.000 0.301 154 M C -1.151 175.293 176.300 0.240 0.000 0.987 154 M CA -0.834 54.578 55.300 0.187 0.000 0.921 154 M CB 2.217 34.951 32.600 0.223 0.000 1.569 154 M HN 0.236 nan 8.290 nan 0.000 0.431 155 V N 2.542 122.505 119.914 0.082 0.000 2.495 155 V HA 1.007 5.127 4.120 -0.000 0.000 0.298 155 V C 0.261 176.341 176.094 -0.023 0.000 1.031 155 V CA -0.176 62.159 62.300 0.058 0.000 0.871 155 V CB 1.580 33.328 31.823 -0.126 0.000 0.988 155 V HN 1.071 nan 8.190 nan 0.000 0.432 156 G N 2.928 111.769 108.800 0.068 0.000 2.348 156 G HA2 0.672 4.632 3.960 -0.000 0.000 0.296 156 G HA3 0.672 4.632 3.960 -0.000 0.000 0.296 156 G C -0.638 174.344 174.900 0.138 0.000 1.258 156 G CA 0.118 45.187 45.100 -0.052 0.000 0.868 156 G HN 1.112 nan 8.290 nan 0.000 0.488 157 G N -2.022 106.818 108.800 0.067 0.000 2.704 157 G HA2 0.985 4.945 3.960 -0.000 0.000 0.293 157 G HA3 0.985 4.945 3.960 -0.000 0.000 0.293 157 G C -0.271 174.787 174.900 0.262 0.000 1.421 157 G CA 0.349 45.603 45.100 0.257 0.000 0.870 157 G HN 2.228 nan 8.290 nan 0.000 0.492 158 G N -1.646 107.332 108.800 0.296 0.000 2.352 158 G HA2 0.530 4.490 3.960 -0.000 0.000 0.302 158 G HA3 0.530 4.490 3.960 -0.000 0.000 0.302 158 G C 0.109 175.090 174.900 0.135 0.000 1.370 158 G CA 0.941 46.173 45.100 0.219 0.000 0.918 158 G HN 1.722 nan 8.290 nan 0.000 0.610 159 T N -2.924 111.642 114.554 0.020 0.000 3.087 159 T HA 0.639 4.989 4.350 -0.000 0.000 0.283 159 T C 1.228 175.933 174.700 0.008 0.000 0.956 159 T CA 1.217 63.276 62.100 -0.067 0.000 0.894 159 T CB 0.484 69.067 68.868 -0.475 0.000 1.160 159 T HN 2.712 nan 8.240 nan 0.000 0.532 160 G N 2.416 111.246 108.800 0.049 0.000 2.298 160 G HA2 0.165 4.125 3.960 -0.000 0.000 0.309 160 G HA3 0.165 4.125 3.960 -0.000 0.000 0.309 160 G C -2.946 171.946 174.900 -0.014 0.000 1.279 160 G CA -0.424 44.709 45.100 0.057 0.000 1.042 160 G HN 0.061 nan 8.290 nan 0.000 0.480 161 P HA 0.479 nan 4.420 nan 0.000 0.226 161 P C 0.057 177.158 177.300 -0.333 0.000 1.783 161 P CA 0.992 64.027 63.100 -0.109 0.000 0.980 161 P CB 0.072 31.846 31.700 0.123 0.000 1.967 162 A N 1.209 123.761 122.820 -0.446 0.000 2.320 162 A HA 0.646 4.966 4.320 -0.000 0.000 0.334 162 A C 1.588 178.917 177.584 -0.425 0.000 1.147 162 A CA -0.201 51.652 52.037 -0.307 0.000 0.820 162 A CB 1.098 20.006 19.000 -0.153 0.000 1.218 162 A HN 0.223 nan 8.150 nan 0.000 0.482 163 A N 1.446 124.161 122.820 -0.176 0.000 1.917 163 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 163 A C 2.170 179.780 177.584 0.043 0.000 1.182 163 A CA 2.659 54.647 52.037 -0.081 0.000 0.633 163 A CB -1.304 17.496 19.000 -0.333 0.000 0.819 163 A HN 1.554 nan 8.150 nan 0.000 0.448 164 G N -1.542 107.260 108.800 0.003 0.000 2.418 164 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 164 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 164 G C 1.550 176.544 174.900 0.157 0.000 1.158 164 G CA 1.649 46.814 45.100 0.109 0.000 0.771 164 G HN 0.454 nan 8.290 nan 0.000 0.545 165 T N -0.013 114.592 114.554 0.086 0.000 2.942 165 T HA -0.004 4.345 4.350 -0.000 0.000 0.265 165 T C 2.101 176.941 174.700 0.233 0.000 1.062 165 T CA 0.875 63.057 62.100 0.138 0.000 1.139 165 T CB -0.255 68.642 68.868 0.049 0.000 0.883 165 T HN 0.281 nan 8.240 nan 0.000 0.468 166 H N 1.236 120.388 119.070 0.137 0.000 2.387 166 H HA 0.106 4.662 4.556 -0.000 0.000 0.299 166 H C 2.387 177.639 175.328 -0.127 0.000 1.099 166 H CA 1.359 57.417 56.048 0.017 0.000 1.315 166 H CB -0.401 29.411 29.762 0.084 0.000 1.380 166 H HN 0.424 nan 8.280 nan 0.000 0.513 167 A N 0.091 122.968 122.820 0.095 0.000 2.014 167 A HA 0.093 4.413 4.320 -0.000 0.000 0.210 167 A C 1.280 178.919 177.584 0.092 0.000 1.188 167 A CA 0.968 52.969 52.037 -0.061 0.000 0.731 167 A CB 0.069 19.012 19.000 -0.094 0.000 0.858 167 A HN 0.448 nan 8.150 nan 0.000 0.464 168 T N -2.717 111.928 114.554 0.152 0.000 2.906 168 T HA 0.463 4.813 4.350 -0.000 0.000 0.295 168 T C -0.160 174.598 174.700 0.097 0.000 1.075 168 T CA 0.199 62.371 62.100 0.119 0.000 1.005 168 T CB 1.360 70.213 68.868 -0.026 0.000 1.136 168 T HN 0.286 nan 8.240 nan 0.000 0.498 169 T N 0.068 114.588 114.554 -0.058 0.000 3.783 169 T HA 0.475 4.825 4.350 -0.000 0.000 0.262 169 T C -0.011 174.716 174.700 0.044 0.000 1.381 169 T CA -0.689 61.296 62.100 -0.191 0.000 1.155 169 T CB -1.873 66.879 68.868 -0.194 0.000 1.256 169 T HN 0.710 nan 8.240 nan 0.000 0.807 170 C N 1.759 121.124 119.300 0.108 0.000 2.441 170 C HA 0.627 5.087 4.460 -0.000 0.000 0.318 170 C C 0.501 175.537 174.990 0.077 0.000 1.222 170 C CA -0.842 58.233 59.018 0.096 0.000 1.474 170 C CB 1.351 29.145 27.740 0.091 0.000 2.125 170 C HN 0.672 nan 8.230 nan 0.000 0.479 171 T N 4.470 119.062 114.554 0.063 0.000 2.929 171 T HA 0.309 4.659 4.350 -0.000 0.000 0.331 171 T C -2.697 172.028 174.700 0.041 0.000 1.120 171 T CA -0.745 61.392 62.100 0.062 0.000 0.973 171 T CB 0.340 69.271 68.868 0.104 0.000 1.036 171 T HN 0.423 nan 8.240 nan 0.000 0.502 172 P HA 0.373 nan 4.420 nan 0.000 0.270 172 P C 0.696 178.072 177.300 0.127 0.000 1.242 172 P CA 0.691 63.787 63.100 -0.007 0.000 0.768 172 P CB 0.260 31.912 31.700 -0.079 0.000 0.820 173 G N 5.394 114.236 108.800 0.069 0.000 2.819 173 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.682 173 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.682 173 G C -2.035 172.945 174.900 0.133 0.000 1.481 173 G CA -0.822 44.338 45.100 0.099 0.000 0.904 173 G HN 0.255 nan 8.290 nan 0.000 0.563 174 P HA -0.130 nan 4.420 nan 0.000 0.216 174 P C 1.659 179.020 177.300 0.100 0.000 1.153 174 P CA 2.190 65.341 63.100 0.085 0.000 0.858 174 P CB 0.002 31.745 31.700 0.073 0.000 0.789 175 W N -1.045 120.231 121.300 -0.040 0.000 2.354 175 W HA -0.185 4.475 4.660 -0.000 0.000 0.315 175 W C 2.306 178.755 176.519 -0.117 0.000 1.206 175 W CA 1.481 58.759 57.345 -0.112 0.000 1.290 175 W CB -1.143 28.198 29.460 -0.198 0.000 1.152 175 W HN -0.071 nan 8.180 nan 0.000 0.489 176 Y N -0.082 120.369 120.300 0.251 0.000 2.242 176 Y HA -0.226 4.324 4.550 -0.000 0.000 0.291 176 Y C 2.361 178.231 175.900 -0.050 0.000 1.137 176 Y CA 1.655 59.811 58.100 0.093 0.000 1.181 176 Y CB -0.453 38.114 38.460 0.179 0.000 0.989 176 Y HN -0.099 nan 8.280 nan 0.000 0.527 177 I N -1.068 119.579 120.570 0.127 0.000 2.179 177 I HA -0.342 3.828 4.170 -0.000 0.000 0.242 177 I C 2.346 178.433 176.117 -0.050 0.000 1.088 177 I CA 1.366 62.692 61.300 0.043 0.000 1.357 177 I CB -0.475 37.552 38.000 0.045 0.000 1.051 177 I HN 0.070 nan 8.210 nan 0.000 0.409 178 S N 0.352 115.985 115.700 -0.113 0.000 2.359 178 S HA -0.227 4.243 4.470 -0.000 0.000 0.224 178 S C 2.088 176.540 174.600 -0.246 0.000 1.035 178 S CA 1.388 59.479 58.200 -0.181 0.000 1.018 178 S CB -0.311 62.748 63.200 -0.234 0.000 0.876 178 S HN 0.267 nan 8.310 nan 0.000 0.448 179 R N 0.896 121.178 120.500 -0.364 0.000 2.081 179 R HA 0.112 4.452 4.340 -0.000 0.000 0.235 179 R C 2.269 178.448 176.300 -0.201 0.000 1.131 179 R CA 1.312 57.190 56.100 -0.370 0.000 0.960 179 R CB -0.370 29.610 30.300 -0.533 0.000 0.856 179 R HN 0.310 nan 8.270 nan 0.000 0.436 180 M N -0.317 119.204 119.600 -0.132 0.000 2.254 180 M HA -0.029 4.451 4.480 -0.000 0.000 0.265 180 M C 2.031 178.229 176.300 -0.171 0.000 1.066 180 M CA 1.236 56.450 55.300 -0.143 0.000 1.123 180 M CB -0.558 31.977 32.600 -0.108 0.000 1.388 180 M HN 0.162 nan 8.290 nan 0.000 0.425 181 L N -0.434 120.708 121.223 -0.134 0.000 2.093 181 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 181 L C 2.521 179.309 176.870 -0.137 0.000 1.085 181 L CA 1.113 55.881 54.840 -0.120 0.000 0.755 181 L CB -0.467 41.539 42.059 -0.089 0.000 0.904 181 L HN 0.381 nan 8.230 nan 0.000 0.435 182 Q N -0.354 119.358 119.800 -0.147 0.000 2.079 182 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 182 Q C 2.430 178.352 176.000 -0.130 0.000 0.974 182 Q CA 1.513 57.231 55.803 -0.141 0.000 0.840 182 Q CB -0.233 28.415 28.738 -0.151 0.000 0.898 182 Q HN 0.538 nan 8.270 nan 0.000 0.430 183 A N 1.150 123.885 122.820 -0.142 0.000 1.972 183 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 183 A C 2.288 179.781 177.584 -0.152 0.000 1.169 183 A CA 1.396 53.352 52.037 -0.134 0.000 0.635 183 A CB -0.671 18.241 19.000 -0.147 0.000 0.810 183 A HN 0.393 nan 8.150 nan 0.000 0.446 184 A N 0.104 122.811 122.820 -0.189 0.000 1.978 184 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 184 A C 1.667 179.191 177.584 -0.099 0.000 1.170 184 A CA 1.865 53.787 52.037 -0.192 0.000 0.636 184 A CB -0.558 18.328 19.000 -0.189 0.000 0.810 184 A HN 0.448 nan 8.150 nan 0.000 0.448 185 D N -0.150 120.205 120.400 -0.075 0.000 2.263 185 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 185 D C 1.866 178.241 176.300 0.125 0.000 0.971 185 D CA 1.357 55.357 54.000 -0.001 0.000 0.867 185 D CB -0.133 40.596 40.800 -0.119 0.000 0.929 185 D HN 0.408 nan 8.370 nan 0.000 0.492 186 S N -0.410 115.315 115.700 0.042 0.000 2.527 186 S HA 0.092 4.562 4.470 -0.000 0.000 0.222 186 S C 0.968 175.574 174.600 0.009 0.000 0.985 186 S CA 0.001 58.223 58.200 0.037 0.000 0.921 186 S CB 0.457 63.660 63.200 0.004 0.000 0.772 186 S HN 0.188 nan 8.310 nan 0.000 0.529 187 L N 2.949 124.168 121.223 -0.007 0.000 2.307 187 L HA 0.337 4.677 4.340 -0.000 0.000 0.282 187 L C -1.898 174.988 176.870 0.027 0.000 1.051 187 L CA -2.142 52.698 54.840 0.001 0.000 0.804 187 L CB 0.991 43.030 42.059 -0.034 0.000 1.197 187 L HN -0.144 nan 8.230 nan 0.000 0.431 188 P HA 0.018 nan 4.420 nan 0.000 0.259 188 P C -0.449 176.887 177.300 0.060 0.000 1.480 188 P CA 0.282 63.406 63.100 0.041 0.000 0.842 188 P CB -0.092 31.626 31.700 0.031 0.000 1.513 189 V N -3.677 116.284 119.914 0.079 0.000 3.040 189 V HA 0.546 4.666 4.120 -0.000 0.000 0.312 189 V C -0.327 175.830 176.094 0.106 0.000 1.115 189 V CA -1.411 60.955 62.300 0.110 0.000 0.998 189 V CB 1.822 33.744 31.823 0.165 0.000 1.042 189 V HN -0.181 nan 8.190 nan 0.000 0.433 190 N N 1.802 120.579 118.700 0.128 0.000 2.518 190 N HA 0.586 5.326 4.740 -0.000 0.000 0.266 190 N C -0.752 174.895 175.510 0.228 0.000 1.196 190 N CA 0.130 53.246 53.050 0.110 0.000 0.947 190 N CB 1.333 39.936 38.487 0.194 0.000 1.098 190 N HN 0.729 nan 8.380 nan 0.000 0.450 191 I N -0.064 120.618 120.570 0.186 0.000 2.647 191 I HA 0.500 4.670 4.170 -0.000 0.000 0.295 191 I C 0.311 176.650 176.117 0.370 0.000 1.078 191 I CA -0.885 60.588 61.300 0.289 0.000 1.048 191 I CB 2.463 40.543 38.000 0.133 0.000 1.239 191 I HN 0.415 nan 8.210 nan 0.000 0.421 192 G N 5.749 114.785 108.800 0.393 0.000 2.662 192 G HA2 0.733 4.693 3.960 -0.000 0.000 0.302 192 G HA3 0.733 4.693 3.960 -0.000 0.000 0.302 192 G C -1.378 173.680 174.900 0.263 0.000 1.389 192 G CA -0.467 44.832 45.100 0.331 0.000 0.998 192 G HN 0.379 nan 8.290 nan 0.000 0.502 193 L N 1.089 122.434 121.223 0.203 0.000 2.334 193 L HA 0.616 4.956 4.340 -0.000 0.000 0.272 193 L C -0.277 176.680 176.870 0.145 0.000 1.020 193 L CA -0.953 54.006 54.840 0.198 0.000 0.812 193 L CB 2.012 44.156 42.059 0.143 0.000 1.264 193 L HN 0.202 nan 8.230 nan 0.000 0.439 194 L N 1.086 122.393 121.223 0.139 0.000 2.341 194 L HA 0.626 4.966 4.340 -0.000 0.000 0.278 194 L C 0.436 177.350 176.870 0.073 0.000 1.005 194 L CA -0.475 54.420 54.840 0.093 0.000 0.818 194 L CB 1.772 43.879 42.059 0.079 0.000 1.259 194 L HN 0.670 nan 8.230 nan 0.000 0.418 195 G N 1.250 110.075 108.800 0.042 0.000 2.531 195 G HA2 0.282 4.242 3.960 -0.000 0.000 0.313 195 G HA3 0.282 4.242 3.960 -0.000 0.000 0.313 195 G C -0.896 173.987 174.900 -0.028 0.000 1.238 195 G CA -0.571 44.536 45.100 0.012 0.000 0.994 195 G HN 0.524 nan 8.290 nan 0.000 0.493 196 K N 0.135 120.478 120.400 -0.095 0.000 2.310 196 K HA 0.277 4.597 4.320 -0.000 0.000 0.290 196 K C 1.066 177.582 176.600 -0.141 0.000 1.077 196 K CA -0.050 56.120 56.287 -0.194 0.000 0.922 196 K CB 0.456 32.695 32.500 -0.435 0.000 1.057 196 K HN 0.452 nan 8.250 nan 0.000 0.479 197 G N 3.521 112.273 108.800 -0.081 0.000 3.042 197 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.212 197 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.212 197 G C -0.010 174.864 174.900 -0.043 0.000 1.166 197 G CA -0.305 44.763 45.100 -0.052 0.000 0.767 197 G HN 0.619 nan 8.290 nan 0.000 0.546 198 N N 0.838 119.502 118.700 -0.059 0.000 2.739 198 N HA 0.409 5.149 4.740 -0.000 0.000 0.266 198 N C -0.908 174.583 175.510 -0.032 0.000 1.168 198 N CA 0.144 53.188 53.050 -0.010 0.000 1.055 198 N CB 1.194 39.727 38.487 0.077 0.000 1.393 198 N HN 0.035 nan 8.380 nan 0.000 0.514 199 V N -0.931 118.968 119.914 -0.024 0.000 3.147 199 V HA 0.337 4.457 4.120 -0.000 0.000 0.299 199 V C 0.210 176.296 176.094 -0.012 0.000 1.302 199 V CA -0.945 61.341 62.300 -0.023 0.000 1.015 199 V CB 2.099 33.899 31.823 -0.039 0.000 1.086 199 V HN 0.246 nan 8.190 nan 0.000 0.437 200 S N 0.674 116.369 115.700 -0.008 0.000 2.575 200 S HA 0.184 4.654 4.470 -0.000 0.000 0.237 200 S C 0.138 174.733 174.600 -0.008 0.000 0.975 200 S CA -0.017 58.179 58.200 -0.006 0.000 0.960 200 S CB 0.009 63.208 63.200 -0.002 0.000 0.822 200 S HN 0.798 nan 8.310 nan 0.000 0.472 201 Q N 1.693 121.486 119.800 -0.012 0.000 2.363 201 Q HA 0.424 4.764 4.340 -0.000 0.000 0.265 201 Q C -2.457 173.535 176.000 -0.014 0.000 1.032 201 Q CA -2.158 53.638 55.803 -0.011 0.000 0.746 201 Q CB 1.466 30.197 28.738 -0.012 0.000 1.237 201 Q HN -0.097 nan 8.270 nan 0.000 0.475 202 P HA -0.182 nan 4.420 nan 0.000 0.216 202 P C 0.209 177.502 177.300 -0.012 0.000 1.157 202 P CA 1.361 64.454 63.100 -0.012 0.000 0.880 202 P CB 0.364 32.058 31.700 -0.010 0.000 0.791 203 D N -0.868 119.526 120.400 -0.010 0.000 2.182 203 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 203 D C 1.885 178.179 176.300 -0.010 0.000 0.986 203 D CA 1.472 55.467 54.000 -0.008 0.000 0.847 203 D CB -0.563 40.233 40.800 -0.007 0.000 0.942 203 D HN 0.126 nan 8.370 nan 0.000 0.467 204 A N 0.144 122.955 122.820 -0.014 0.000 2.067 204 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 204 A C 2.287 179.858 177.584 -0.022 0.000 1.158 204 A CA 0.596 52.622 52.037 -0.019 0.000 0.661 204 A CB -0.317 18.667 19.000 -0.027 0.000 0.801 204 A HN 0.197 nan 8.150 nan 0.000 0.452 205 L N -1.690 119.521 121.223 -0.020 0.000 2.168 205 L HA 0.002 4.342 4.340 -0.000 0.000 0.203 205 L C 2.690 179.554 176.870 -0.010 0.000 1.078 205 L CA 0.563 55.391 54.840 -0.020 0.000 0.780 205 L CB -0.445 41.602 42.059 -0.021 0.000 0.939 205 L HN 0.282 nan 8.230 nan 0.000 0.451 206 R N 0.461 120.957 120.500 -0.007 0.000 2.105 206 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 206 R C 2.072 178.372 176.300 0.001 0.000 1.135 206 R CA 1.353 57.451 56.100 -0.003 0.000 0.967 206 R CB -0.264 30.034 30.300 -0.003 0.000 0.861 206 R HN 0.450 nan 8.270 nan 0.000 0.442 207 E N 0.742 120.943 120.200 0.000 0.000 2.077 207 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 207 E C 2.139 178.745 176.600 0.010 0.000 0.989 207 E CA 1.205 57.608 56.400 0.005 0.000 0.800 207 E CB -0.010 29.694 29.700 0.006 0.000 0.746 207 E HN 0.436 nan 8.360 nan 0.000 0.452 208 Q N 0.235 120.040 119.800 0.008 0.000 2.079 208 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 208 Q C 2.405 178.415 176.000 0.017 0.000 0.974 208 Q CA 1.271 57.082 55.803 0.013 0.000 0.840 208 Q CB 0.034 28.774 28.738 0.004 0.000 0.898 208 Q HN 0.162 nan 8.270 nan 0.000 0.430 209 V N 0.995 120.917 119.914 0.013 0.000 2.358 209 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 209 V C 2.262 178.368 176.094 0.019 0.000 1.047 209 V CA 1.750 64.061 62.300 0.019 0.000 1.035 209 V CB -0.946 30.885 31.823 0.014 0.000 0.658 209 V HN 0.366 nan 8.190 nan 0.000 0.452 210 A N -0.055 122.773 122.820 0.013 0.000 2.019 210 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 210 A C 2.294 179.885 177.584 0.011 0.000 1.164 210 A CA 1.770 53.814 52.037 0.011 0.000 0.644 210 A CB -0.517 18.488 19.000 0.008 0.000 0.805 210 A HN 0.571 nan 8.150 nan 0.000 0.449 211 A N -2.213 120.615 122.820 0.013 0.000 2.123 211 A HA 0.409 4.729 4.320 -0.000 0.000 0.214 211 A C 1.735 179.325 177.584 0.009 0.000 1.152 211 A CA 1.601 53.644 52.037 0.010 0.000 0.728 211 A CB -0.348 18.661 19.000 0.015 0.000 0.814 211 A HN 1.589 nan 8.150 nan 0.000 0.464 212 G N -1.692 107.120 108.800 0.021 0.000 2.935 212 G HA2 0.024 3.984 3.960 -0.000 0.000 0.213 212 G HA3 0.024 3.984 3.960 -0.000 0.000 0.213 212 G C 0.324 175.255 174.900 0.052 0.000 0.984 212 G CA 0.052 45.170 45.100 0.030 0.000 0.790 212 G HN 1.369 nan 8.290 nan 0.000 0.538 213 V N 1.125 121.070 119.914 0.052 0.000 2.843 213 V HA 0.585 4.705 4.120 -0.000 0.000 0.305 213 V C 1.656 177.797 176.094 0.078 0.000 1.065 213 V CA 0.218 62.560 62.300 0.069 0.000 1.116 213 V CB 1.105 32.963 31.823 0.059 0.000 0.968 213 V HN 0.825 nan 8.190 nan 0.000 0.487 214 I N 0.448 121.079 120.570 0.101 0.000 3.928 214 I HA 0.764 4.934 4.170 -0.000 0.000 0.335 214 I C 0.664 176.846 176.117 0.108 0.000 1.325 214 I CA 0.359 61.724 61.300 0.108 0.000 1.107 214 I CB -0.228 37.851 38.000 0.131 0.000 1.014 214 I HN 0.910 nan 8.210 nan 0.000 0.400 215 G N 0.797 109.653 108.800 0.092 0.000 2.506 215 G HA2 0.596 4.556 3.960 -0.000 0.000 0.292 215 G HA3 0.596 4.556 3.960 -0.000 0.000 0.292 215 G C -1.653 173.274 174.900 0.044 0.000 1.425 215 G CA -0.715 44.435 45.100 0.082 0.000 0.788 215 G HN 0.083 nan 8.290 nan 0.000 0.490 219 H N 5.462 124.621 119.070 0.148 0.000 2.600 219 H HA 0.389 4.945 4.556 -0.000 0.000 0.357 219 H C 0.621 175.961 175.328 0.019 0.000 1.106 219 H CA -0.299 55.811 56.048 0.103 0.000 1.193 219 H CB 2.379 32.269 29.762 0.215 0.000 1.594 219 H HN 0.836 nan 8.280 nan 0.000 0.526 220 E N 2.248 122.338 120.200 -0.183 0.000 2.204 220 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 220 E C 0.097 176.717 176.600 0.034 0.000 0.990 220 E CA 1.435 57.794 56.400 -0.069 0.000 0.821 220 E CB 0.181 29.792 29.700 -0.148 0.000 0.750 220 E HN 0.458 nan 8.360 nan 0.000 0.477 221 D N 0.181 120.683 120.400 0.170 0.000 2.263 221 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 221 D C 0.503 176.701 176.300 -0.171 0.000 0.971 221 D CA 0.936 54.890 54.000 -0.076 0.000 0.867 221 D CB -0.197 40.447 40.800 -0.261 0.000 0.929 221 D HN 0.493 nan 8.370 nan 0.000 0.492 222 W N 0.261 121.608 121.300 0.078 0.000 3.132 222 W HA 0.413 5.073 4.660 -0.000 0.000 0.364 222 W C 0.560 177.094 176.519 0.025 0.000 1.129 222 W CA -0.136 57.233 57.345 0.040 0.000 1.815 222 W CB 0.824 30.308 29.460 0.039 0.000 1.099 222 W HN -0.078 nan 8.180 nan 0.000 0.605 223 G N 1.398 110.315 108.800 0.195 0.000 2.780 223 G HA2 0.078 4.038 3.960 -0.000 0.000 0.364 223 G HA3 0.078 4.038 3.960 -0.000 0.000 0.364 223 G C -0.236 174.716 174.900 0.086 0.000 1.045 223 G CA -0.586 44.577 45.100 0.105 0.000 1.202 223 G HN 0.420 nan 8.290 nan 0.000 0.534 224 A N 2.343 125.191 122.820 0.047 0.000 3.168 224 A HA 0.683 5.003 4.320 -0.000 0.000 0.260 224 A C 1.238 178.835 177.584 0.021 0.000 1.598 224 A CA 0.831 52.889 52.037 0.036 0.000 1.285 224 A CB -0.477 18.533 19.000 0.016 0.000 1.149 224 A HN 2.032 nan 8.150 nan 0.000 0.630 225 T N -2.424 112.145 114.554 0.024 0.000 2.918 225 T HA 0.445 4.795 4.350 -0.000 0.000 0.283 225 T C -1.843 172.867 174.700 0.018 0.000 1.001 225 T CA -1.705 60.405 62.100 0.016 0.000 1.041 225 T CB 1.167 70.042 68.868 0.011 0.000 1.028 225 T HN 0.078 nan 8.240 nan 0.000 0.511 226 P HA -0.074 nan 4.420 nan 0.000 0.216 226 P C 1.616 178.918 177.300 0.003 0.000 1.150 226 P CA 1.488 64.594 63.100 0.010 0.000 0.843 226 P CB -0.226 31.476 31.700 0.004 0.000 0.787 227 A N -0.131 122.691 122.820 0.003 0.000 1.873 227 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 227 A C 2.319 179.904 177.584 0.001 0.000 1.186 227 A CA 2.056 54.093 52.037 0.000 0.000 0.616 227 A CB -1.588 17.412 19.000 0.000 0.000 0.823 227 A HN 0.190 nan 8.150 nan 0.000 0.442 228 A N -0.098 122.726 122.820 0.007 0.000 1.902 228 A HA -0.064 4.255 4.320 -0.000 0.000 0.217 228 A C 2.130 179.715 177.584 0.002 0.000 1.181 228 A CA 1.490 53.531 52.037 0.007 0.000 0.623 228 A CB -0.620 18.393 19.000 0.022 0.000 0.818 228 A HN 0.489 nan 8.150 nan 0.000 0.443 229 I N -0.233 120.339 120.570 0.003 0.000 2.163 229 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 229 I C 2.338 178.447 176.117 -0.013 0.000 1.085 229 I CA 1.987 63.284 61.300 -0.005 0.000 1.347 229 I CB -0.404 37.596 38.000 -0.000 0.000 1.044 229 I HN 0.423 nan 8.210 nan 0.000 0.408 230 D N 0.120 120.514 120.400 -0.010 0.000 2.117 230 D HA -0.235 4.405 4.640 -0.000 0.000 0.197 230 D C 2.307 178.599 176.300 -0.014 0.000 0.987 230 D CA 1.286 55.279 54.000 -0.013 0.000 0.829 230 D CB -0.167 40.627 40.800 -0.010 0.000 0.961 230 D HN 0.397 nan 8.370 nan 0.000 0.460 231 C N 0.022 119.315 119.300 -0.012 0.000 2.432 231 C HA 0.031 4.491 4.460 -0.000 0.000 0.277 231 C C 2.899 177.879 174.990 -0.017 0.000 1.249 231 C CA 1.579 60.589 59.018 -0.013 0.000 1.725 231 C CB -1.479 26.254 27.740 -0.011 0.000 2.028 231 C HN 0.447 nan 8.230 nan 0.000 0.477 232 A N 0.063 122.872 122.820 -0.019 0.000 1.902 232 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 232 A C 2.183 179.751 177.584 -0.026 0.000 1.181 232 A CA 1.808 53.831 52.037 -0.023 0.000 0.623 232 A CB -0.723 18.261 19.000 -0.026 0.000 0.818 232 A HN 0.675 nan 8.150 nan 0.000 0.443 233 L N -0.827 120.379 121.223 -0.028 0.000 2.141 233 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 233 L C 2.742 179.597 176.870 -0.025 0.000 1.094 233 L CA 1.596 56.417 54.840 -0.031 0.000 0.763 233 L CB -0.681 41.358 42.059 -0.033 0.000 0.908 233 L HN 0.347 nan 8.230 nan 0.000 0.437 234 T N -0.736 113.806 114.554 -0.021 0.000 2.746 234 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 234 T C 1.965 176.655 174.700 -0.016 0.000 1.039 234 T CA 1.304 63.394 62.100 -0.017 0.000 1.142 234 T CB -0.106 68.753 68.868 -0.014 0.000 0.866 234 T HN 0.062 nan 8.240 nan 0.000 0.444 235 V N 1.592 121.496 119.914 -0.016 0.000 2.427 235 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 235 V C 2.856 178.941 176.094 -0.015 0.000 1.051 235 V CA 1.478 63.769 62.300 -0.014 0.000 1.048 235 V CB -1.147 30.668 31.823 -0.013 0.000 0.666 235 V HN 0.503 nan 8.190 nan 0.000 0.456 236 A N -0.074 122.735 122.820 -0.019 0.000 1.902 236 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 236 A C 1.992 179.562 177.584 -0.022 0.000 1.181 236 A CA 2.093 54.117 52.037 -0.022 0.000 0.623 236 A CB -0.632 18.349 19.000 -0.032 0.000 0.818 236 A HN 0.509 nan 8.150 nan 0.000 0.443 237 D N -0.269 120.118 120.400 -0.023 0.000 2.178 237 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 237 D C 2.020 178.310 176.300 -0.017 0.000 0.980 237 D CA 1.566 55.553 54.000 -0.022 0.000 0.842 237 D CB -0.213 40.575 40.800 -0.021 0.000 0.948 237 D HN 0.880 nan 8.370 nan 0.000 0.472 238 E N -0.663 119.528 120.200 -0.014 0.000 2.340 238 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 238 E C 1.520 178.114 176.600 -0.009 0.000 0.996 238 E CA 0.258 56.651 56.400 -0.011 0.000 0.869 238 E CB -0.018 29.676 29.700 -0.010 0.000 0.835 238 E HN 0.206 nan 8.360 nan 0.000 0.493 239 M N 0.886 120.481 119.600 -0.008 0.000 2.333 239 M HA 0.138 4.618 4.480 -0.000 0.000 0.257 239 M C -0.330 175.969 176.300 -0.002 0.000 1.078 239 M CA -0.083 55.215 55.300 -0.003 0.000 1.005 239 M CB 0.454 33.054 32.600 0.001 0.000 1.444 239 M HN -0.112 nan 8.290 nan 0.000 0.496 240 D N 2.891 123.286 120.400 -0.009 0.000 2.705 240 D HA -0.152 4.488 4.640 -0.000 0.000 0.240 240 D C -1.034 175.264 176.300 -0.004 0.000 1.137 240 D CA 0.628 54.621 54.000 -0.011 0.000 0.677 240 D CB -0.803 39.990 40.800 -0.012 0.000 1.049 240 D HN 0.521 nan 8.370 nan 0.000 0.427 241 I N -2.593 117.974 120.570 -0.006 0.000 3.002 241 I HA 0.727 4.897 4.170 -0.000 0.000 0.310 241 I C -0.041 176.065 176.117 -0.020 0.000 1.087 241 I CA -1.165 60.138 61.300 0.005 0.000 1.017 241 I CB 1.500 39.513 38.000 0.021 0.000 1.226 241 I HN -0.124 nan 8.210 nan 0.000 0.443 242 Q N 1.514 121.304 119.800 -0.016 0.000 2.214 242 Q HA 0.733 5.073 4.340 -0.000 0.000 0.251 242 Q C -1.476 174.492 176.000 -0.054 0.000 0.936 242 Q CA -0.640 55.114 55.803 -0.081 0.000 0.894 242 Q CB 1.943 30.540 28.738 -0.236 0.000 1.252 242 Q HN 0.647 nan 8.270 nan 0.000 0.448 243 V N 2.157 122.013 119.914 -0.097 0.000 2.459 243 V HA 0.856 4.976 4.120 -0.000 0.000 0.295 243 V C -0.684 175.291 176.094 -0.199 0.000 1.029 243 V CA -0.681 61.553 62.300 -0.111 0.000 0.874 243 V CB 1.405 33.171 31.823 -0.095 0.000 0.985 243 V HN 0.858 nan 8.190 nan 0.000 0.438 244 A N 5.012 127.640 122.820 -0.320 0.000 2.318 244 A HA 0.881 5.201 4.320 -0.000 0.000 0.324 244 A C -1.130 176.098 177.584 -0.594 0.000 1.170 244 A CA -0.483 51.111 52.037 -0.739 0.000 0.810 244 A CB 1.237 19.465 19.000 -1.287 0.000 1.198 244 A HN 0.801 nan 8.150 nan 0.000 0.484 245 L N 1.943 122.833 121.223 -0.555 0.000 2.346 245 L HA 0.600 4.940 4.340 -0.000 0.000 0.276 245 L C -0.477 176.298 176.870 -0.159 0.000 1.006 245 L CA -0.202 54.481 54.840 -0.263 0.000 0.817 245 L CB 1.653 43.623 42.059 -0.149 0.000 1.272 245 L HN 0.802 nan 8.230 nan 0.000 0.421 246 H N 3.115 122.106 119.070 -0.131 0.000 2.991 246 H HA 0.528 5.084 4.556 -0.000 0.000 0.304 246 H C -0.440 174.842 175.328 -0.077 0.000 1.040 246 H CA -0.408 55.612 56.048 -0.046 0.000 1.410 246 H CB 0.908 30.579 29.762 -0.152 0.000 1.529 246 H HN 0.837 nan 8.280 nan 0.000 0.509 247 S N 2.599 118.399 115.700 0.167 0.000 2.617 247 S HA -0.054 4.416 4.470 -0.000 0.000 0.259 247 S C 0.443 175.019 174.600 -0.041 0.000 1.301 247 S CA -0.799 57.433 58.200 0.054 0.000 0.984 247 S CB 0.931 64.172 63.200 0.068 0.000 0.954 247 S HN 0.751 nan 8.310 nan 0.000 0.572 248 D N 0.503 120.712 120.400 -0.319 0.000 2.398 248 D HA 0.176 4.816 4.640 -0.000 0.000 0.250 248 D C 1.027 177.039 176.300 -0.481 0.000 1.287 248 D CA 0.075 53.859 54.000 -0.360 0.000 0.992 248 D CB -0.193 40.432 40.800 -0.291 0.000 1.071 248 D HN 0.544 nan 8.370 nan 0.000 0.514 249 T N 3.513 117.972 114.554 -0.158 0.000 2.720 249 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 249 T C 1.972 176.679 174.700 0.011 0.000 1.037 249 T CA 0.807 62.901 62.100 -0.011 0.000 1.144 249 T CB -0.042 68.960 68.868 0.223 0.000 0.864 249 T HN 0.438 nan 8.240 nan 0.000 0.444 250 L N 0.968 122.140 121.223 -0.085 0.000 2.450 250 L HA -0.012 4.328 4.340 -0.000 0.000 0.224 250 L C 0.763 177.621 176.870 -0.021 0.000 1.149 250 L CA 0.305 55.086 54.840 -0.098 0.000 0.816 250 L CB -0.773 41.140 42.059 -0.243 0.000 0.932 250 L HN 0.293 nan 8.230 nan 0.000 0.449 251 N N -0.043 118.659 118.700 0.004 0.000 2.714 251 N HA -0.269 4.471 4.740 -0.000 0.000 0.250 251 N C 1.139 176.590 175.510 -0.099 0.000 1.117 251 N CA 1.278 54.366 53.050 0.063 0.000 0.719 251 N CB -1.025 37.574 38.487 0.186 0.000 1.081 251 N HN 0.581 nan 8.380 nan 0.000 0.557 252 E N 0.500 120.645 120.200 -0.091 0.000 2.077 252 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 252 E C 1.521 178.059 176.600 -0.102 0.000 0.989 252 E CA 1.757 58.095 56.400 -0.103 0.000 0.800 252 E CB 0.107 29.746 29.700 -0.102 0.000 0.746 252 E HN 0.545 nan 8.360 nan 0.000 0.452 253 S N -1.246 114.409 115.700 -0.076 0.000 2.517 253 S HA 0.377 4.847 4.470 -0.000 0.000 0.214 253 S C 0.574 175.123 174.600 -0.084 0.000 0.991 253 S CA 0.082 58.245 58.200 -0.062 0.000 0.906 253 S CB 1.247 64.433 63.200 -0.023 0.000 0.789 253 S HN 0.408 nan 8.310 nan 0.000 0.513 254 G N -0.074 108.650 108.800 -0.127 0.000 2.337 254 G HA2 0.382 4.341 3.960 -0.000 0.000 0.298 254 G HA3 0.382 4.341 3.960 -0.000 0.000 0.298 254 G C -1.117 173.666 174.900 -0.196 0.000 1.335 254 G CA -1.138 43.826 45.100 -0.227 0.000 0.875 254 G HN 0.166 nan 8.290 nan 0.000 0.579 255 F N -1.040 118.896 119.950 -0.024 0.000 2.321 255 F HA 0.508 5.035 4.527 -0.000 0.000 0.318 255 F C 1.901 177.312 175.800 -0.648 0.000 1.129 255 F CA 0.046 57.943 58.000 -0.172 0.000 1.074 255 F CB 1.258 40.205 39.000 -0.089 0.000 1.432 255 F HN 0.307 nan 8.300 nan 0.000 0.502 256 V N 1.434 121.006 119.914 -0.570 0.000 2.392 256 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 256 V C 2.214 178.152 176.094 -0.260 0.000 1.059 256 V CA 2.430 64.346 62.300 -0.640 0.000 1.051 256 V CB -0.639 31.043 31.823 -0.235 0.000 0.658 256 V HN 0.823 nan 8.190 nan 0.000 0.455 257 E N -1.020 119.117 120.200 -0.105 0.000 2.204 257 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 257 E C 1.643 178.218 176.600 -0.043 0.000 0.990 257 E CA 1.685 58.059 56.400 -0.043 0.000 0.821 257 E CB -0.614 29.095 29.700 0.015 0.000 0.750 257 E HN 0.675 nan 8.360 nan 0.000 0.477 258 D N 0.925 121.299 120.400 -0.044 0.000 2.123 258 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 258 D C 1.787 178.070 176.300 -0.028 0.000 0.976 258 D CA 1.574 55.558 54.000 -0.026 0.000 0.831 258 D CB -0.066 40.721 40.800 -0.021 0.000 0.974 258 D HN 0.188 nan 8.370 nan 0.000 0.469 259 T N 1.682 116.213 114.554 -0.038 0.000 2.708 259 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 259 T C 2.276 176.952 174.700 -0.039 0.000 1.037 259 T CA 0.560 62.670 62.100 0.017 0.000 1.146 259 T CB -0.260 68.687 68.868 0.132 0.000 0.865 259 T HN 0.086 nan 8.240 nan 0.000 0.435 260 L N 0.664 121.832 121.223 -0.092 0.000 2.079 260 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 260 L C 2.968 179.777 176.870 -0.102 0.000 1.081 260 L CA 1.242 55.992 54.840 -0.150 0.000 0.752 260 L CB -0.595 41.317 42.059 -0.245 0.000 0.896 260 L HN 0.244 nan 8.230 nan 0.000 0.433 261 A N -0.175 122.608 122.820 -0.061 0.000 1.930 261 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 261 A C 2.522 180.089 177.584 -0.028 0.000 1.175 261 A CA 1.525 53.541 52.037 -0.034 0.000 0.627 261 A CB -0.613 18.377 19.000 -0.017 0.000 0.815 261 A HN 0.391 nan 8.150 nan 0.000 0.443 262 A N 0.025 122.830 122.820 -0.025 0.000 1.933 262 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 262 A C 2.064 179.633 177.584 -0.025 0.000 1.175 262 A CA 1.434 53.461 52.037 -0.018 0.000 0.628 262 A CB -0.591 18.405 19.000 -0.007 0.000 0.814 262 A HN 0.500 nan 8.150 nan 0.000 0.444 263 I N -0.438 120.110 120.570 -0.038 0.000 2.286 263 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 263 I C 1.767 177.860 176.117 -0.040 0.000 1.115 263 I CA 0.898 62.170 61.300 -0.046 0.000 1.392 263 I CB -0.702 37.257 38.000 -0.069 0.000 1.065 263 I HN 0.476 nan 8.210 nan 0.000 0.418 264 G N 1.202 109.979 108.800 -0.038 0.000 2.366 264 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.299 264 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.299 264 G C 0.989 175.877 174.900 -0.020 0.000 1.020 264 G CA 0.445 45.531 45.100 -0.025 0.000 1.026 264 G HN 0.929 nan 8.290 nan 0.000 0.512 265 G N -1.708 107.078 108.800 -0.023 0.000 2.168 265 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 265 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 265 G C 0.545 175.434 174.900 -0.019 0.000 0.977 265 G CA 1.078 46.172 45.100 -0.010 0.000 0.659 265 G HN 1.028 nan 8.290 nan 0.000 0.533 266 R N 0.395 120.877 120.500 -0.029 0.000 2.459 266 R HA 0.488 4.828 4.340 -0.000 0.000 0.281 266 R C 0.450 176.724 176.300 -0.043 0.000 1.050 266 R CA -0.143 55.936 56.100 -0.034 0.000 1.055 266 R CB 0.546 30.825 30.300 -0.034 0.000 1.045 266 R HN 0.145 nan 8.270 nan 0.000 0.495 267 T N 3.032 117.558 114.554 -0.047 0.000 2.902 267 T HA 0.197 4.547 4.350 -0.000 0.000 0.301 267 T C 0.126 174.783 174.700 -0.071 0.000 1.012 267 T CA 0.467 62.532 62.100 -0.059 0.000 1.151 267 T CB 0.059 68.887 68.868 -0.066 0.000 0.946 267 T HN 0.386 nan 8.240 nan 0.000 0.542 268 I N 1.737 122.262 120.570 -0.075 0.000 2.787 268 I HA 0.232 4.402 4.170 -0.000 0.000 0.294 268 I C -0.847 175.236 176.117 -0.055 0.000 1.365 268 I CA -0.850 60.401 61.300 -0.082 0.000 1.029 268 I CB 2.109 40.058 38.000 -0.084 0.000 1.313 268 I HN 0.742 nan 8.210 nan 0.000 0.431 269 H N 5.548 124.488 119.070 -0.216 0.000 2.594 269 H HA 0.404 4.960 4.556 -0.000 0.000 0.304 269 H C -0.780 174.399 175.328 -0.250 0.000 1.068 269 H CA -0.547 55.373 56.048 -0.213 0.000 1.308 269 H CB 0.957 30.578 29.762 -0.235 0.000 1.409 269 H HN 0.592 nan 8.280 nan 0.000 0.460 270 T N 3.629 118.210 114.554 0.045 0.000 2.728 270 T HA 0.185 4.535 4.350 -0.000 0.000 0.296 270 T C -0.045 174.616 174.700 -0.065 0.000 0.940 270 T CA -0.789 61.245 62.100 -0.109 0.000 1.013 270 T CB 0.118 68.932 68.868 -0.090 0.000 0.912 270 T HN 0.198 nan 8.240 nan 0.000 0.484 271 F N 3.818 123.500 119.950 -0.447 0.000 2.450 271 F HA 0.231 4.758 4.527 -0.000 0.000 0.339 271 F C 1.567 176.921 175.800 -0.743 0.000 1.146 271 F CA -0.903 56.752 58.000 -0.574 0.000 1.267 271 F CB -0.187 38.371 39.000 -0.737 0.000 1.178 271 F HN 0.961 nan 8.300 nan 0.000 0.585 272 H N -0.931 118.290 119.070 0.251 0.000 2.166 272 H HA -0.206 4.350 4.556 -0.000 0.000 0.323 272 H C 0.729 176.122 175.328 0.109 0.000 0.936 272 H CA 0.460 56.601 56.048 0.155 0.000 1.073 272 H CB -2.417 27.405 29.762 0.099 0.000 1.592 272 H HN 0.524 nan 8.280 nan 0.000 0.346 273 T N -0.837 113.783 114.554 0.109 0.000 2.946 273 T HA -0.230 4.120 4.350 -0.000 0.000 0.271 273 T C 1.751 176.609 174.700 0.264 0.000 1.104 273 T CA 1.262 63.387 62.100 0.042 0.000 1.114 273 T CB 0.033 68.664 68.868 -0.395 0.000 0.867 273 T HN 0.705 nan 8.240 nan 0.000 0.513 274 E N 0.830 121.268 120.200 0.398 0.000 2.150 274 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 274 E C 1.921 178.600 176.600 0.133 0.000 0.985 274 E CA 1.224 57.792 56.400 0.281 0.000 0.814 274 E CB -0.260 29.559 29.700 0.200 0.000 0.752 274 E HN 0.590 nan 8.360 nan 0.000 0.466 275 G N -0.143 108.734 108.800 0.129 0.000 2.352 275 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.204 275 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.204 275 G C 1.387 176.243 174.900 -0.073 0.000 1.004 275 G CA 0.605 45.723 45.100 0.031 0.000 0.648 275 G HN 0.545 nan 8.290 nan 0.000 0.491 276 A N 0.843 123.622 122.820 -0.069 0.000 1.940 276 A HA 0.292 4.612 4.320 -0.000 0.000 0.219 276 A C 2.651 180.154 177.584 -0.136 0.000 1.176 276 A CA 2.537 54.521 52.037 -0.088 0.000 0.631 276 A CB -0.957 18.002 19.000 -0.067 0.000 0.814 276 A HN 1.664 nan 8.150 nan 0.000 0.446 277 G N -1.619 107.021 108.800 -0.267 0.000 2.744 277 G HA2 0.428 4.388 3.960 -0.000 0.000 0.211 277 G HA3 0.428 4.388 3.960 -0.000 0.000 0.211 277 G C 0.693 175.015 174.900 -0.963 0.000 1.143 277 G CA 0.803 45.575 45.100 -0.547 0.000 0.788 277 G HN 1.657 nan 8.290 nan 0.000 0.534 278 G N -2.277 106.054 108.800 -0.781 0.000 2.351 278 G HA2 0.573 4.533 3.960 -0.000 0.000 0.472 278 G HA3 0.573 4.533 3.960 -0.000 0.000 0.472 278 G C -0.320 174.346 174.900 -0.390 0.000 1.570 278 G CA -0.087 44.579 45.100 -0.723 0.000 0.921 278 G HN 1.775 nan 8.290 nan 0.000 0.674 279 G N 0.453 109.173 108.800 -0.134 0.000 2.321 279 G HA2 0.485 4.445 3.960 -0.000 0.000 0.339 279 G HA3 0.485 4.445 3.960 -0.000 0.000 0.339 279 G C -0.523 174.391 174.900 0.024 0.000 1.518 279 G CA -0.482 44.611 45.100 -0.012 0.000 0.994 279 G HN 1.355 nan 8.290 nan 0.000 0.668 280 H N 0.111 119.226 119.070 0.076 0.000 3.214 280 H HA 0.248 4.804 4.556 -0.000 0.000 0.291 280 H C 1.081 176.448 175.328 0.065 0.000 0.926 280 H CA 1.519 57.620 56.048 0.089 0.000 1.409 280 H CB 0.569 30.391 29.762 0.101 0.000 1.406 280 H HN 0.939 nan 8.280 nan 0.000 0.561 281 A N 6.914 129.835 122.820 0.168 0.000 2.301 281 A HA 0.275 4.595 4.320 -0.000 0.000 0.298 281 A C -1.505 176.130 177.584 0.085 0.000 1.185 281 A CA -1.235 50.843 52.037 0.069 0.000 0.830 281 A CB 0.674 19.703 19.000 0.048 0.000 1.112 281 A HN 0.544 nan 8.150 nan 0.000 0.508 282 P HA 0.152 nan 4.420 nan 0.000 0.280 282 P C -0.569 176.712 177.300 -0.033 0.000 1.431 282 P CA 0.180 63.205 63.100 -0.126 0.000 1.058 282 P CB 0.489 31.965 31.700 -0.374 0.000 1.521 283 D N -0.765 119.658 120.400 0.039 0.000 2.463 283 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 283 D C 1.335 177.683 176.300 0.080 0.000 1.174 283 D CA -0.628 53.403 54.000 0.052 0.000 0.829 283 D CB -0.571 40.250 40.800 0.034 0.000 0.993 283 D HN -0.018 nan 8.370 nan 0.000 0.497 284 I N 0.525 121.161 120.570 0.109 0.000 2.454 284 I HA -0.107 4.063 4.170 -0.000 0.000 0.254 284 I C 1.661 177.842 176.117 0.107 0.000 1.156 284 I CA 0.803 62.179 61.300 0.126 0.000 1.433 284 I CB -0.158 37.927 38.000 0.143 0.000 1.082 284 I HN 0.204 nan 8.210 nan 0.000 0.432 285 I N 0.387 121.029 120.570 0.121 0.000 2.567 285 I HA -0.301 3.869 4.170 -0.000 0.000 0.257 285 I C 2.074 178.284 176.117 0.155 0.000 1.184 285 I CA 1.746 63.151 61.300 0.176 0.000 1.451 285 I CB -0.330 37.777 38.000 0.178 0.000 1.089 285 I HN 0.495 nan 8.210 nan 0.000 0.441 286 T N -1.515 113.107 114.554 0.113 0.000 3.098 286 T HA 0.039 4.389 4.350 -0.000 0.000 0.266 286 T C 1.768 176.562 174.700 0.156 0.000 1.145 286 T CA 0.696 62.864 62.100 0.114 0.000 1.092 286 T CB -0.383 68.541 68.868 0.093 0.000 0.908 286 T HN 0.389 nan 8.240 nan 0.000 0.526 287 A N 1.299 124.191 122.820 0.121 0.000 2.015 287 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 287 A C 2.617 180.288 177.584 0.146 0.000 1.163 287 A CA 1.194 53.302 52.037 0.117 0.000 0.646 287 A CB -1.477 17.526 19.000 0.006 0.000 0.806 287 A HN 0.991 nan 8.150 nan 0.000 0.448 288 C N -1.694 117.651 119.300 0.075 0.000 2.460 288 C HA 0.398 4.858 4.460 -0.000 0.000 0.291 288 C C 2.330 177.354 174.990 0.057 0.000 1.493 288 C CA 0.053 59.091 59.018 0.034 0.000 1.748 288 C CB -1.804 25.977 27.740 0.067 0.000 1.656 288 C HN 0.625 nan 8.230 nan 0.000 0.576 289 A N -0.631 122.230 122.820 0.069 0.000 2.132 289 A HA 0.162 4.482 4.320 -0.000 0.000 0.213 289 A C 0.965 178.442 177.584 -0.179 0.000 1.154 289 A CA 0.177 52.173 52.037 -0.068 0.000 0.753 289 A CB -0.559 18.354 19.000 -0.144 0.000 0.826 289 A HN 0.846 nan 8.150 nan 0.000 0.469 290 H N -0.024 119.036 119.070 -0.015 0.000 2.525 290 H HA 0.161 4.717 4.556 -0.000 0.000 0.339 290 H C -1.608 173.704 175.328 -0.027 0.000 1.109 290 H CA -1.433 54.603 56.048 -0.020 0.000 1.352 290 H CB 1.126 30.874 29.762 -0.022 0.000 1.461 290 H HN 0.161 nan 8.280 nan 0.000 0.533 291 P HA -0.133 nan 4.420 nan 0.000 0.221 291 P C 0.777 178.086 177.300 0.015 0.000 1.150 291 P CA 1.064 64.178 63.100 0.023 0.000 0.800 291 P CB 0.363 32.069 31.700 0.011 0.000 0.787 292 N N -0.341 118.377 118.700 0.030 0.000 2.336 292 N HA 0.017 4.757 4.740 -0.000 0.000 0.189 292 N C 0.273 175.770 175.510 -0.023 0.000 1.113 292 N CA 0.133 53.180 53.050 -0.004 0.000 0.858 292 N CB -0.050 38.433 38.487 -0.007 0.000 0.970 292 N HN 0.112 nan 8.380 nan 0.000 0.471 293 I N 1.897 122.462 120.570 -0.008 0.000 2.336 293 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 293 I C -0.093 175.988 176.117 -0.059 0.000 0.991 293 I CA -0.768 60.512 61.300 -0.033 0.000 1.227 293 I CB 1.547 39.538 38.000 -0.015 0.000 1.366 293 I HN -0.067 nan 8.210 nan 0.000 0.466 294 L N 8.646 129.821 121.223 -0.080 0.000 2.283 294 L HA 0.387 4.727 4.340 -0.000 0.000 0.281 294 L C -2.308 174.502 176.870 -0.100 0.000 1.033 294 L CA -1.558 53.206 54.840 -0.126 0.000 0.848 294 L CB 1.170 43.109 42.059 -0.201 0.000 1.226 294 L HN 0.316 nan 8.230 nan 0.000 0.429 295 P HA 0.270 nan 4.420 nan 0.000 0.296 295 P C -0.862 176.300 177.300 -0.229 0.000 1.306 295 P CA -0.311 62.635 63.100 -0.257 0.000 0.818 295 P CB 1.905 33.289 31.700 -0.527 0.000 0.969 296 S N 1.739 117.403 115.700 -0.061 0.000 2.671 296 S HA 0.749 5.219 4.470 -0.000 0.000 0.299 296 S C -0.434 174.268 174.600 0.169 0.000 1.116 296 S CA -0.686 57.591 58.200 0.130 0.000 0.912 296 S CB 1.242 64.680 63.200 0.397 0.000 1.130 296 S HN 0.318 nan 8.310 nan 0.000 0.501 297 S N 1.034 116.943 115.700 0.348 0.000 2.568 297 S HA 0.795 5.265 4.470 -0.000 0.000 0.302 297 S C -0.159 174.581 174.600 0.233 0.000 1.082 297 S CA -0.761 57.676 58.200 0.396 0.000 1.009 297 S CB 1.694 65.255 63.200 0.602 0.000 1.069 297 S HN 0.995 nan 8.310 nan 0.000 0.500 298 T N 0.009 114.669 114.554 0.176 0.000 2.927 298 T HA 0.320 4.670 4.350 -0.000 0.000 0.281 298 T C 0.954 175.677 174.700 0.038 0.000 0.998 298 T CA -0.802 61.316 62.100 0.031 0.000 1.019 298 T CB 0.526 69.370 68.868 -0.040 0.000 1.061 298 T HN 0.584 nan 8.240 nan 0.000 0.518 299 N N 0.280 118.965 118.700 -0.026 0.000 2.446 299 N HA 0.039 4.779 4.740 -0.000 0.000 0.179 299 N C -0.983 174.529 175.510 0.004 0.000 1.054 299 N CA -0.255 52.785 53.050 -0.017 0.000 0.905 299 N CB -1.312 37.142 38.487 -0.056 0.000 0.973 299 N HN 0.430 nan 8.380 nan 0.000 0.448 300 P HA -0.065 nan 4.420 nan 0.000 0.222 300 P C 0.611 178.016 177.300 0.175 0.000 1.147 300 P CA 1.356 64.492 63.100 0.060 0.000 0.790 300 P CB -0.247 31.440 31.700 -0.021 0.000 0.780 301 T N -3.538 111.103 114.554 0.145 0.000 3.107 301 T HA 0.230 4.580 4.350 -0.000 0.000 0.249 301 T C 0.658 175.407 174.700 0.082 0.000 1.096 301 T CA -0.129 62.025 62.100 0.091 0.000 1.012 301 T CB -0.507 68.374 68.868 0.022 0.000 0.977 301 T HN -0.015 nan 8.240 nan 0.000 0.527 302 L N 3.221 124.486 121.223 0.069 0.000 2.298 302 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 302 L C -2.452 174.442 176.870 0.041 0.000 1.013 302 L CA -2.325 52.543 54.840 0.047 0.000 0.824 302 L CB 1.868 43.929 42.059 0.002 0.000 1.221 302 L HN 0.002 nan 8.230 nan 0.000 0.418 303 P HA 0.118 nan 4.420 nan 0.000 0.289 303 P C -1.289 176.102 177.300 0.151 0.000 1.300 303 P CA -0.727 62.431 63.100 0.098 0.000 0.828 303 P CB 1.101 32.856 31.700 0.091 0.000 1.235 304 Y N 1.612 121.920 120.300 0.014 0.000 2.605 304 Y HA 0.272 4.822 4.550 -0.000 0.000 0.336 304 Y C 0.328 176.236 175.900 0.014 0.000 1.111 304 Y CA 0.238 58.341 58.100 0.004 0.000 1.422 304 Y CB -0.782 37.676 38.460 -0.003 0.000 1.193 304 Y HN 0.380 nan 8.280 nan 0.000 0.526 305 T N 2.683 117.204 114.554 -0.054 0.000 2.888 305 T HA 0.389 4.739 4.350 -0.000 0.000 0.288 305 T C 0.998 175.571 174.700 -0.212 0.000 1.063 305 T CA -0.874 61.124 62.100 -0.170 0.000 1.010 305 T CB 0.891 69.734 68.868 -0.041 0.000 1.214 305 T HN 0.586 nan 8.240 nan 0.000 0.533 306 L N 0.532 121.659 121.223 -0.159 0.000 2.191 306 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 306 L C 2.016 178.867 176.870 -0.032 0.000 1.103 306 L CA 1.088 55.863 54.840 -0.108 0.000 0.769 306 L CB -0.415 41.599 42.059 -0.075 0.000 0.908 306 L HN 0.660 nan 8.230 nan 0.000 0.438 307 N N -1.443 117.253 118.700 -0.007 0.000 2.236 307 N HA -0.002 4.738 4.740 -0.000 0.000 0.196 307 N C 1.557 177.107 175.510 0.066 0.000 1.114 307 N CA 0.400 53.465 53.050 0.024 0.000 0.859 307 N CB 0.402 38.898 38.487 0.015 0.000 0.982 307 N HN 0.203 nan 8.380 nan 0.000 0.493 308 T N 2.195 116.804 114.554 0.091 0.000 2.607 308 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 308 T C 1.992 176.796 174.700 0.173 0.000 1.049 308 T CA 0.810 63.004 62.100 0.156 0.000 1.162 308 T CB 0.045 69.022 68.868 0.181 0.000 0.863 308 T HN 0.098 nan 8.240 nan 0.000 0.424 309 I N 1.969 122.605 120.570 0.110 0.000 2.163 309 I HA -0.158 4.011 4.170 -0.000 0.000 0.243 309 I C 2.099 178.273 176.117 0.096 0.000 1.085 309 I CA 1.637 62.977 61.300 0.067 0.000 1.347 309 I CB -1.492 36.546 38.000 0.064 0.000 1.044 309 I HN 0.303 nan 8.210 nan 0.000 0.408 310 D N 0.867 121.314 120.400 0.079 0.000 2.133 310 D HA -0.255 4.385 4.640 -0.000 0.000 0.195 310 D C 1.964 178.296 176.300 0.053 0.000 0.997 310 D CA 1.586 55.618 54.000 0.055 0.000 0.840 310 D CB -0.173 40.649 40.800 0.037 0.000 0.947 310 D HN 0.640 nan 8.370 nan 0.000 0.452 311 E N -0.537 119.706 120.200 0.071 0.000 2.371 311 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 311 E C 1.356 177.942 176.600 -0.024 0.000 1.012 311 E CA 0.672 57.080 56.400 0.014 0.000 0.860 311 E CB -0.129 29.564 29.700 -0.012 0.000 0.811 311 E HN 0.377 nan 8.360 nan 0.000 0.502 312 H N 0.226 119.274 119.070 -0.037 0.000 2.357 312 H HA -0.018 4.538 4.556 -0.000 0.000 0.301 312 H C 1.799 177.087 175.328 -0.066 0.000 1.082 312 H CA 1.441 57.457 56.048 -0.053 0.000 1.342 312 H CB -0.023 29.710 29.762 -0.048 0.000 1.389 312 H HN 0.157 nan 8.280 nan 0.000 0.511 313 L N 0.740 121.990 121.223 0.045 0.000 1.971 313 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 313 L C 1.522 178.363 176.870 -0.048 0.000 1.072 313 L CA 2.003 56.837 54.840 -0.010 0.000 0.758 313 L CB -0.513 41.542 42.059 -0.007 0.000 0.889 313 L HN 0.272 nan 8.230 nan 0.000 0.433 314 D N -1.018 119.350 120.400 -0.054 0.000 2.219 314 D HA -0.202 4.438 4.640 -0.000 0.000 0.205 314 D C 2.165 178.400 176.300 -0.108 0.000 0.970 314 D CA 1.406 55.364 54.000 -0.071 0.000 0.851 314 D CB -0.012 40.751 40.800 -0.062 0.000 0.943 314 D HN 0.480 nan 8.370 nan 0.000 0.488 315 M N 0.520 120.038 119.600 -0.137 0.000 2.099 315 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 315 M C 2.005 178.193 176.300 -0.186 0.000 1.067 315 M CA 0.943 56.128 55.300 -0.192 0.000 1.124 315 M CB 0.020 32.454 32.600 -0.277 0.000 1.353 315 M HN -0.029 nan 8.290 nan 0.000 0.410 316 L N 1.300 122.441 121.223 -0.136 0.000 2.012 316 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 316 L C 2.315 179.141 176.870 -0.074 0.000 1.073 316 L CA 2.025 56.817 54.840 -0.080 0.000 0.748 316 L CB -1.115 40.898 42.059 -0.077 0.000 0.891 316 L HN 0.444 nan 8.230 nan 0.000 0.431 317 M N -1.193 118.352 119.600 -0.092 0.000 2.065 317 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 317 M C 2.267 178.502 176.300 -0.110 0.000 1.071 317 M CA 1.622 56.877 55.300 -0.074 0.000 1.109 317 M CB -1.184 31.381 32.600 -0.058 0.000 1.313 317 M HN 0.128 nan 8.290 nan 0.000 0.408 318 V N 0.715 120.539 119.914 -0.150 0.000 2.343 318 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 318 V C 2.757 178.644 176.094 -0.345 0.000 1.051 318 V CA 1.876 64.058 62.300 -0.197 0.000 1.036 318 V CB -1.386 30.326 31.823 -0.185 0.000 0.654 318 V HN 0.531 nan 8.190 nan 0.000 0.451 319 A N -1.234 121.345 122.820 -0.402 0.000 1.972 319 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 319 A C 1.845 178.912 177.584 -0.862 0.000 1.169 319 A CA 1.550 53.217 52.037 -0.617 0.000 0.635 319 A CB -0.490 18.121 19.000 -0.648 0.000 0.810 319 A HN 0.711 nan 8.150 nan 0.000 0.446 320 H N -1.809 117.049 119.070 -0.352 0.000 2.592 320 H HA 0.139 4.695 4.556 -0.000 0.000 0.279 320 H C -0.422 174.751 175.328 -0.258 0.000 1.089 320 H CA 0.150 56.018 56.048 -0.300 0.000 1.150 320 H CB 0.056 29.783 29.762 -0.057 0.000 1.575 320 H HN 0.662 nan 8.280 nan 0.000 0.547 321 H N -0.346 118.742 119.070 0.030 0.000 2.770 321 H HA -0.155 4.401 4.556 -0.000 0.000 0.309 321 H C 0.041 175.398 175.328 0.048 0.000 1.206 321 H CA 0.366 56.424 56.048 0.017 0.000 1.147 321 H CB -2.366 27.398 29.762 0.003 0.000 1.422 321 H HN 0.339 nan 8.280 nan 0.000 0.420 322 L N 0.643 121.930 121.223 0.107 0.000 2.357 322 L HA 0.301 4.641 4.340 -0.000 0.000 0.273 322 L C 1.023 177.935 176.870 0.071 0.000 1.080 322 L CA -0.301 54.607 54.840 0.113 0.000 0.803 322 L CB 1.031 43.154 42.059 0.107 0.000 1.174 322 L HN 0.018 nan 8.230 nan 0.000 0.443 323 D N 3.514 123.957 120.400 0.072 0.000 2.373 323 D HA 0.193 4.833 4.640 -0.000 0.000 0.227 323 D C -1.629 174.695 176.300 0.040 0.000 1.091 323 D CA -1.978 52.050 54.000 0.048 0.000 0.840 323 D CB 1.858 42.685 40.800 0.045 0.000 1.060 323 D HN 0.223 nan 8.370 nan 0.000 0.502 324 P HA -0.078 nan 4.420 nan 0.000 0.228 324 P C 0.409 177.721 177.300 0.020 0.000 1.151 324 P CA 0.607 63.718 63.100 0.017 0.000 0.770 324 P CB 0.712 32.415 31.700 0.005 0.000 0.786 325 D N -0.261 120.152 120.400 0.022 0.000 2.333 325 D HA 0.102 4.742 4.640 -0.000 0.000 0.208 325 D C 0.983 177.298 176.300 0.025 0.000 0.984 325 D CA 0.302 54.314 54.000 0.020 0.000 0.873 325 D CB 0.187 40.997 40.800 0.016 0.000 0.935 325 D HN 0.283 nan 8.370 nan 0.000 0.521 326 I N 1.562 122.152 120.570 0.033 0.000 2.308 326 I HA 0.104 4.274 4.170 -0.000 0.000 0.293 326 I C 1.585 177.731 176.117 0.047 0.000 1.078 326 I CA -0.533 60.791 61.300 0.039 0.000 1.292 326 I CB 1.656 39.683 38.000 0.045 0.000 1.423 326 I HN -0.165 nan 8.210 nan 0.000 0.493 327 A N 5.338 128.182 122.820 0.041 0.000 1.903 327 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 327 A C 2.032 179.654 177.584 0.064 0.000 1.191 327 A CA 1.886 53.950 52.037 0.045 0.000 0.638 327 A CB -0.352 18.669 19.000 0.037 0.000 0.823 327 A HN 0.747 nan 8.150 nan 0.000 0.451 328 E N 0.026 120.264 120.200 0.065 0.000 2.153 328 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 328 E C 1.514 178.205 176.600 0.152 0.000 0.988 328 E CA 1.247 57.696 56.400 0.083 0.000 0.811 328 E CB -0.237 29.490 29.700 0.045 0.000 0.746 328 E HN 0.615 nan 8.360 nan 0.000 0.466 329 D N -0.755 119.734 120.400 0.149 0.000 2.123 329 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 329 D C 2.008 178.411 176.300 0.171 0.000 0.976 329 D CA 1.345 55.482 54.000 0.228 0.000 0.831 329 D CB -0.089 40.802 40.800 0.151 0.000 0.974 329 D HN 0.243 nan 8.370 nan 0.000 0.469 330 V N -1.168 118.802 119.914 0.093 0.000 2.591 330 V HA 0.075 4.195 4.120 -0.000 0.000 0.249 330 V C 2.168 178.289 176.094 0.045 0.000 1.053 330 V CA 1.359 63.684 62.300 0.041 0.000 1.068 330 V CB -0.804 31.037 31.823 0.030 0.000 0.689 330 V HN 0.089 nan 8.190 nan 0.000 0.462 331 A N 0.885 123.760 122.820 0.092 0.000 1.930 331 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 331 A C 2.052 179.718 177.584 0.138 0.000 1.175 331 A CA 1.778 53.875 52.037 0.099 0.000 0.627 331 A CB -0.810 18.253 19.000 0.104 0.000 0.815 331 A HN 0.848 nan 8.150 nan 0.000 0.443 332 F N 0.483 120.438 119.950 0.008 0.000 2.456 332 F HA 0.284 4.811 4.527 -0.000 0.000 0.298 332 F C 2.046 177.838 175.800 -0.013 0.000 1.104 332 F CA 0.679 58.677 58.000 -0.004 0.000 1.435 332 F CB -0.266 38.728 39.000 -0.011 0.000 1.078 332 F HN 0.192 nan 8.300 nan 0.000 0.546 333 A N 0.767 123.362 122.820 -0.376 0.000 1.898 333 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 333 A C 2.156 179.615 177.584 -0.208 0.000 1.183 333 A CA 1.410 53.184 52.037 -0.438 0.000 0.622 333 A CB -0.741 18.101 19.000 -0.264 0.000 0.824 333 A HN 0.517 nan 8.150 nan 0.000 0.444 334 E N 0.577 120.720 120.200 -0.096 0.000 2.106 334 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 334 E C 2.165 178.740 176.600 -0.042 0.000 0.984 334 E CA 1.347 57.721 56.400 -0.043 0.000 0.806 334 E CB -0.205 29.498 29.700 0.004 0.000 0.750 334 E HN 0.763 nan 8.360 nan 0.000 0.458 335 S N 0.607 116.292 115.700 -0.026 0.000 2.507 335 S HA -0.058 4.412 4.470 -0.000 0.000 0.235 335 S C 1.754 176.286 174.600 -0.114 0.000 0.988 335 S CA 0.526 58.704 58.200 -0.036 0.000 0.944 335 S CB -0.038 63.190 63.200 0.046 0.000 0.762 335 S HN 0.141 nan 8.310 nan 0.000 0.526 336 R N 0.069 120.496 120.500 -0.123 0.000 2.254 336 R HA 0.388 4.728 4.340 -0.000 0.000 0.195 336 R C -0.143 176.071 176.300 -0.143 0.000 0.957 336 R CA 0.318 56.335 56.100 -0.139 0.000 1.024 336 R CB 0.067 30.264 30.300 -0.172 0.000 0.952 336 R HN 0.434 nan 8.270 nan 0.000 0.484 337 I N 1.892 122.384 120.570 -0.129 0.000 2.306 337 I HA 0.227 4.397 4.170 -0.000 0.000 0.288 337 I C -0.542 175.500 176.117 -0.124 0.000 1.036 337 I CA -0.232 60.991 61.300 -0.129 0.000 1.221 337 I CB 1.127 39.078 38.000 -0.081 0.000 1.385 337 I HN -0.139 nan 8.210 nan 0.000 0.472 338 R N 4.971 125.378 120.500 -0.156 0.000 2.483 338 R HA 0.367 4.707 4.340 -0.000 0.000 0.303 338 R C 0.865 177.085 176.300 -0.132 0.000 0.987 338 R CA -0.812 55.217 56.100 -0.117 0.000 0.881 338 R CB 2.152 32.335 30.300 -0.195 0.000 1.177 338 R HN 0.494 nan 8.270 nan 0.000 0.451 339 R N 1.832 122.277 120.500 -0.092 0.000 2.103 339 R HA -0.226 4.114 4.340 -0.000 0.000 0.242 339 R C 0.596 176.752 176.300 -0.241 0.000 1.142 339 R CA 1.986 57.981 56.100 -0.175 0.000 0.960 339 R CB 0.261 30.539 30.300 -0.036 0.000 0.858 339 R HN 0.562 nan 8.270 nan 0.000 0.439 340 E N -0.484 119.661 120.200 -0.092 0.000 2.058 340 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 340 E C 2.018 178.553 176.600 -0.109 0.000 0.997 340 E CA 2.293 58.655 56.400 -0.064 0.000 0.801 340 E CB -0.310 29.421 29.700 0.053 0.000 0.746 340 E HN 0.596 nan 8.360 nan 0.000 0.450 341 T N -1.308 113.180 114.554 -0.111 0.000 2.942 341 T HA 0.032 4.382 4.350 -0.000 0.000 0.265 341 T C 2.017 176.615 174.700 -0.171 0.000 1.062 341 T CA 0.518 62.551 62.100 -0.112 0.000 1.139 341 T CB -0.278 68.541 68.868 -0.082 0.000 0.883 341 T HN 0.032 nan 8.240 nan 0.000 0.468 342 I N 1.784 122.203 120.570 -0.250 0.000 2.252 342 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 342 I C 3.153 179.039 176.117 -0.385 0.000 1.102 342 I CA 1.205 62.318 61.300 -0.311 0.000 1.385 342 I CB -0.497 37.265 38.000 -0.396 0.000 1.064 342 I HN 0.337 nan 8.210 nan 0.000 0.414 343 A N 0.621 123.114 122.820 -0.545 0.000 1.898 343 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 343 A C 2.523 180.020 177.584 -0.145 0.000 1.181 343 A CA 1.639 53.439 52.037 -0.396 0.000 0.620 343 A CB -0.741 18.048 19.000 -0.351 0.000 0.819 343 A HN 0.416 nan 8.150 nan 0.000 0.442 344 A N -0.261 122.469 122.820 -0.150 0.000 1.933 344 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 344 A C 1.992 179.469 177.584 -0.179 0.000 1.175 344 A CA 1.730 53.696 52.037 -0.118 0.000 0.628 344 A CB -0.559 18.382 19.000 -0.100 0.000 0.814 344 A HN 0.681 nan 8.150 nan 0.000 0.444 345 E N 0.017 120.075 120.200 -0.237 0.000 2.097 345 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 345 E C 1.225 177.686 176.600 -0.232 0.000 1.000 345 E CA 1.681 57.844 56.400 -0.395 0.000 0.804 345 E CB -0.190 29.354 29.700 -0.260 0.000 0.740 345 E HN 0.557 nan 8.360 nan 0.000 0.454 346 D N -0.088 120.281 120.400 -0.052 0.000 2.117 346 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 346 D C 2.066 178.409 176.300 0.072 0.000 0.987 346 D CA 1.225 55.266 54.000 0.068 0.000 0.829 346 D CB -0.253 40.604 40.800 0.095 0.000 0.961 346 D HN 0.128 nan 8.370 nan 0.000 0.460 347 V N 0.915 120.835 119.914 0.009 0.000 2.358 347 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 347 V C 2.595 178.678 176.094 -0.017 0.000 1.047 347 V CA 1.049 63.361 62.300 0.019 0.000 1.035 347 V CB -0.498 31.327 31.823 0.003 0.000 0.658 347 V HN 0.205 nan 8.190 nan 0.000 0.452 348 L N -0.843 120.299 121.223 -0.135 0.000 2.191 348 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 348 L C 2.452 179.222 176.870 -0.166 0.000 1.103 348 L CA 1.669 56.393 54.840 -0.194 0.000 0.769 348 L CB -0.686 41.120 42.059 -0.422 0.000 0.908 348 L HN 0.423 nan 8.230 nan 0.000 0.438 349 H N -1.080 117.903 119.070 -0.145 0.000 2.363 349 H HA -0.168 4.388 4.556 -0.000 0.000 0.301 349 H C 1.931 177.172 175.328 -0.146 0.000 1.074 349 H CA 1.502 57.484 56.048 -0.110 0.000 1.354 349 H CB 0.206 29.919 29.762 -0.083 0.000 1.397 349 H HN 0.185 nan 8.280 nan 0.000 0.516 350 D N -0.053 120.432 120.400 0.142 0.000 2.178 350 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 350 D C 1.617 177.989 176.300 0.120 0.000 0.980 350 D CA 0.724 54.844 54.000 0.201 0.000 0.842 350 D CB 0.027 40.972 40.800 0.242 0.000 0.948 350 D HN 0.329 nan 8.370 nan 0.000 0.472 351 L N -1.441 119.826 121.223 0.073 0.000 2.509 351 L HA 0.227 4.567 4.340 -0.000 0.000 0.222 351 L C 1.598 178.508 176.870 0.067 0.000 1.123 351 L CA 0.504 55.388 54.840 0.073 0.000 0.856 351 L CB 0.003 42.090 42.059 0.048 0.000 0.985 351 L HN 0.218 nan 8.230 nan 0.000 0.456 352 G N -0.358 108.461 108.800 0.031 0.000 2.132 352 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.234 352 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.234 352 G C 0.881 175.805 174.900 0.040 0.000 0.989 352 G CA 0.369 45.487 45.100 0.031 0.000 0.676 352 G HN 0.401 nan 8.290 nan 0.000 0.522 353 A N -0.962 121.889 122.820 0.052 0.000 1.975 353 A HA 0.632 4.952 4.320 -0.000 0.000 0.215 353 A C 0.655 178.348 177.584 0.181 0.000 1.170 353 A CA 0.792 52.892 52.037 0.105 0.000 0.656 353 A CB 0.058 19.131 19.000 0.123 0.000 0.821 353 A HN 0.586 nan 8.150 nan 0.000 0.449 354 F N -0.043 119.759 119.950 -0.246 0.000 2.415 354 F HA 0.423 4.950 4.527 -0.000 0.000 0.348 354 F C 1.145 176.804 175.800 -0.235 0.000 1.119 354 F CA -0.968 56.818 58.000 -0.358 0.000 1.069 354 F CB 1.942 40.396 39.000 -0.910 0.000 1.124 354 F HN -0.023 nan 8.300 nan 0.000 0.472 355 S N 2.578 118.265 115.700 -0.022 0.000 2.511 355 S HA 0.332 4.802 4.470 -0.000 0.000 0.214 355 S C -0.180 174.449 174.600 0.049 0.000 0.997 355 S CA 0.063 58.264 58.200 0.002 0.000 0.908 355 S CB 0.254 63.423 63.200 -0.052 0.000 0.803 355 S HN 0.251 nan 8.310 nan 0.000 0.504 356 L N 1.260 122.558 121.223 0.124 0.000 2.376 356 L HA 0.574 4.914 4.340 -0.000 0.000 0.258 356 L C -0.197 176.839 176.870 0.276 0.000 1.013 356 L CA -0.400 54.534 54.840 0.156 0.000 0.822 356 L CB 1.890 44.006 42.059 0.096 0.000 1.388 356 L HN 0.033 nan 8.230 nan 0.000 0.413 357 T N -2.005 112.668 114.554 0.199 0.000 2.887 357 T HA 0.948 5.298 4.350 -0.000 0.000 0.288 357 T C -0.381 174.394 174.700 0.125 0.000 1.021 357 T CA -0.517 61.673 62.100 0.150 0.000 1.000 357 T CB 1.853 70.744 68.868 0.038 0.000 1.034 357 T HN 0.777 nan 8.240 nan 0.000 0.467 358 S N 0.568 116.316 115.700 0.081 0.000 2.688 358 S HA 0.681 5.151 4.470 -0.000 0.000 0.275 358 S C 0.887 175.457 174.600 -0.051 0.000 1.175 358 S CA -0.095 58.125 58.200 0.034 0.000 0.818 358 S CB 1.165 64.405 63.200 0.067 0.000 1.157 358 S HN 1.119 nan 8.310 nan 0.000 0.482 359 S N 0.042 115.677 115.700 -0.108 0.000 2.433 359 S HA 0.253 4.723 4.470 -0.000 0.000 0.216 359 S C 0.307 174.742 174.600 -0.276 0.000 1.031 359 S CA 1.150 59.254 58.200 -0.159 0.000 0.931 359 S CB -0.748 62.371 63.200 -0.135 0.000 0.875 359 S HN 1.234 nan 8.310 nan 0.000 0.553 360 D N 1.551 121.709 120.400 -0.404 0.000 2.865 360 D HA -0.128 4.512 4.640 -0.000 0.000 0.231 360 D C -0.386 175.778 176.300 -0.227 0.000 1.069 360 D CA 0.716 54.374 54.000 -0.569 0.000 0.761 360 D CB -1.932 38.475 40.800 -0.655 0.000 1.081 360 D HN 0.676 nan 8.370 nan 0.000 0.440 361 S N 0.749 116.369 115.700 -0.134 0.000 2.885 361 S HA -0.027 4.443 4.470 -0.000 0.000 0.334 361 S C 1.039 175.556 174.600 -0.138 0.000 1.224 361 S CA 1.091 59.218 58.200 -0.122 0.000 1.080 361 S CB 0.771 63.901 63.200 -0.118 0.000 0.801 361 S HN 0.446 nan 8.310 nan 0.000 0.510 362 Q N 0.217 119.918 119.800 -0.164 0.000 2.468 362 Q HA -0.284 4.056 4.340 -0.000 0.000 0.256 362 Q C 0.362 176.191 176.000 -0.285 0.000 0.984 362 Q CA 1.040 56.735 55.803 -0.180 0.000 1.110 362 Q CB -2.065 26.614 28.738 -0.099 0.000 1.527 362 Q HN 1.257 nan 8.270 nan 0.000 0.535 363 A N 0.045 122.630 122.820 -0.391 0.000 3.106 363 A HA 0.572 4.892 4.320 -0.000 0.000 0.227 363 A C 0.397 177.746 177.584 -0.391 0.000 0.920 363 A CA 0.178 51.896 52.037 -0.531 0.000 1.088 363 A CB 0.504 18.846 19.000 -1.097 0.000 1.233 363 A HN 0.338 nan 8.150 nan 0.000 0.503 364 M N -1.368 118.046 119.600 -0.310 0.000 2.849 364 M HA -0.129 4.351 4.480 -0.000 0.000 0.229 364 M C 0.109 176.277 176.300 -0.221 0.000 0.488 364 M CA 0.817 55.965 55.300 -0.253 0.000 0.769 364 M CB -1.414 31.069 32.600 -0.195 0.000 2.818 364 M HN 1.238 nan 8.290 nan 0.000 0.664 365 G N 0.546 109.214 108.800 -0.220 0.000 2.519 365 G HA2 0.675 4.635 3.960 -0.000 0.000 0.292 365 G HA3 0.675 4.635 3.960 -0.000 0.000 0.292 365 G C -1.452 173.348 174.900 -0.166 0.000 1.507 365 G CA -1.127 43.860 45.100 -0.188 0.000 0.806 365 G HN 0.238 nan 8.290 nan 0.000 0.523 366 R N 1.543 121.959 120.500 -0.141 0.000 2.275 366 R HA 0.393 4.733 4.340 -0.000 0.000 0.326 366 R C 1.019 177.250 176.300 -0.116 0.000 0.973 366 R CA -0.729 55.295 56.100 -0.127 0.000 0.854 366 R CB 2.030 32.255 30.300 -0.125 0.000 1.156 366 R HN 0.317 nan 8.270 nan 0.000 0.487 367 V N 2.824 122.674 119.914 -0.107 0.000 2.453 367 V HA -0.177 3.943 4.120 -0.000 0.000 0.252 367 V C 1.529 177.575 176.094 -0.079 0.000 1.068 367 V CA 2.587 64.831 62.300 -0.094 0.000 1.070 367 V CB -0.096 31.678 31.823 -0.081 0.000 0.664 367 V HN 1.007 nan 8.190 nan 0.000 0.461 368 G N -1.444 107.308 108.800 -0.080 0.000 3.189 368 G HA2 0.095 4.055 3.960 -0.000 0.000 0.225 368 G HA3 0.095 4.055 3.960 -0.000 0.000 0.225 368 G C 0.782 175.637 174.900 -0.075 0.000 1.159 368 G CA 0.112 45.171 45.100 -0.068 0.000 0.763 368 G HN 0.619 nan 8.290 nan 0.000 0.549 369 E N 0.092 120.235 120.200 -0.095 0.000 2.734 369 E HA 0.161 4.510 4.350 -0.000 0.000 0.211 369 E C 1.422 177.954 176.600 -0.114 0.000 0.991 369 E CA -0.248 56.092 56.400 -0.100 0.000 1.065 369 E CB 1.113 30.745 29.700 -0.113 0.000 1.047 369 E HN 0.185 nan 8.360 nan 0.000 0.470 370 V N 0.819 120.654 119.914 -0.132 0.000 2.270 370 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 370 V C 2.158 178.075 176.094 -0.294 0.000 1.043 370 V CA 1.572 63.771 62.300 -0.168 0.000 1.014 370 V CB -0.250 31.488 31.823 -0.141 0.000 0.645 370 V HN 0.350 nan 8.190 nan 0.000 0.447 371 I N -0.303 120.034 120.570 -0.388 0.000 2.163 371 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 371 I C 2.464 178.430 176.117 -0.251 0.000 1.081 371 I CA 1.684 62.627 61.300 -0.596 0.000 1.353 371 I CB -0.395 37.325 38.000 -0.466 0.000 1.054 371 I HN 0.289 nan 8.210 nan 0.000 0.407 372 L N 1.009 122.167 121.223 -0.108 0.000 1.990 372 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 372 L C 2.840 179.703 176.870 -0.011 0.000 1.072 372 L CA 1.804 56.638 54.840 -0.011 0.000 0.755 372 L CB -0.303 41.755 42.059 -0.001 0.000 0.889 372 L HN 0.142 nan 8.230 nan 0.000 0.432 373 R N -1.066 119.394 120.500 -0.068 0.000 2.115 373 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 373 R C 2.125 178.375 176.300 -0.084 0.000 1.111 373 R CA 1.706 57.773 56.100 -0.057 0.000 0.976 373 R CB -0.521 29.742 30.300 -0.062 0.000 0.870 373 R HN 0.446 nan 8.270 nan 0.000 0.445 374 T N -0.156 114.289 114.554 -0.182 0.000 2.746 374 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 374 T C 1.236 175.761 174.700 -0.291 0.000 1.039 374 T CA 1.316 63.264 62.100 -0.253 0.000 1.142 374 T CB -0.201 68.452 68.868 -0.358 0.000 0.866 374 T HN 0.450 nan 8.240 nan 0.000 0.444 375 W N 1.459 122.754 121.300 -0.008 0.000 2.467 375 W HA 0.028 4.687 4.660 -0.000 0.000 0.275 375 W C 2.612 179.091 176.519 -0.066 0.000 1.239 375 W CA -0.009 57.308 57.345 -0.048 0.000 1.266 375 W CB -0.198 29.244 29.460 -0.030 0.000 1.112 375 W HN 0.303 nan 8.180 nan 0.000 0.576 376 Q N -0.040 119.837 119.800 0.127 0.000 2.119 376 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 376 Q C 2.127 178.182 176.000 0.092 0.000 0.972 376 Q CA 1.537 57.395 55.803 0.091 0.000 0.847 376 Q CB -0.423 28.343 28.738 0.047 0.000 0.903 376 Q HN 0.188 nan 8.270 nan 0.000 0.433 377 V N 0.856 120.788 119.914 0.030 0.000 2.307 377 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 377 V C 2.279 178.338 176.094 -0.058 0.000 1.045 377 V CA 1.798 64.121 62.300 0.038 0.000 1.024 377 V CB -0.999 30.874 31.823 0.084 0.000 0.651 377 V HN 0.393 nan 8.190 nan 0.000 0.449 378 A N -0.179 122.426 122.820 -0.359 0.000 1.908 378 A HA -0.340 3.980 4.320 -0.000 0.000 0.218 378 A C 2.111 179.604 177.584 -0.152 0.000 1.181 378 A CA 2.575 54.218 52.037 -0.657 0.000 0.627 378 A CB -0.922 17.581 19.000 -0.827 0.000 0.818 378 A HN 0.805 nan 8.150 nan 0.000 0.445 379 H N -0.727 118.295 119.070 -0.080 0.000 2.293 379 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 379 H C 2.239 177.565 175.328 -0.003 0.000 1.082 379 H CA 1.935 57.973 56.048 -0.017 0.000 1.308 379 H CB -0.024 29.744 29.762 0.009 0.000 1.375 379 H HN 0.232 nan 8.280 nan 0.000 0.495 380 R N -0.221 120.309 120.500 0.050 0.000 2.120 380 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 380 R C 2.171 178.454 176.300 -0.029 0.000 1.123 380 R CA 1.164 57.268 56.100 0.007 0.000 0.975 380 R CB -0.283 30.077 30.300 0.100 0.000 0.866 380 R HN 0.484 nan 8.270 nan 0.000 0.446 381 M N 0.236 119.833 119.600 -0.005 0.000 2.236 381 M HA -0.072 4.408 4.480 -0.000 0.000 0.266 381 M C 2.109 178.409 176.300 0.000 0.000 1.070 381 M CA 1.186 56.504 55.300 0.030 0.000 1.137 381 M CB -0.628 32.034 32.600 0.103 0.000 1.378 381 M HN 0.041 nan 8.290 nan 0.000 0.426 382 K N 0.438 120.810 120.400 -0.047 0.000 2.025 382 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 382 K C 1.845 178.404 176.600 -0.068 0.000 1.049 382 K CA 1.209 57.473 56.287 -0.039 0.000 0.933 382 K CB 0.031 32.504 32.500 -0.045 0.000 0.714 382 K HN 0.062 nan 8.250 nan 0.000 0.438 383 V N 1.643 121.463 119.914 -0.156 0.000 2.332 383 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 383 V C 2.318 178.376 176.094 -0.060 0.000 1.055 383 V CA 2.011 64.225 62.300 -0.142 0.000 1.038 383 V CB -0.422 31.256 31.823 -0.241 0.000 0.651 383 V HN 0.455 nan 8.190 nan 0.000 0.450 384 Q N -0.832 118.946 119.800 -0.037 0.000 2.165 384 Q HA 0.030 4.370 4.340 -0.000 0.000 0.197 384 Q C 2.211 178.217 176.000 0.010 0.000 0.952 384 Q CA 0.825 56.625 55.803 -0.004 0.000 0.848 384 Q CB 0.052 28.798 28.738 0.014 0.000 0.931 384 Q HN 0.568 nan 8.270 nan 0.000 0.470 385 R N -0.176 120.335 120.500 0.018 0.000 2.365 385 R HA 0.250 4.590 4.340 -0.000 0.000 0.223 385 R C 0.726 177.044 176.300 0.031 0.000 0.899 385 R CA 0.470 56.588 56.100 0.031 0.000 1.059 385 R CB 1.027 31.357 30.300 0.049 0.000 1.086 385 R HN 0.213 nan 8.270 nan 0.000 0.522 386 G N 1.568 110.382 108.800 0.022 0.000 2.593 386 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.237 386 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.237 386 G C -0.271 174.656 174.900 0.045 0.000 1.312 386 G CA -0.384 44.731 45.100 0.025 0.000 0.896 386 G HN 0.432 nan 8.290 nan 0.000 0.574 387 A N -0.535 122.313 122.820 0.046 0.000 2.445 387 A HA 0.620 4.940 4.320 -0.000 0.000 0.242 387 A C 0.891 178.522 177.584 0.079 0.000 1.075 387 A CA 0.207 52.283 52.037 0.066 0.000 0.777 387 A CB 0.106 19.136 19.000 0.050 0.000 1.013 387 A HN 1.198 nan 8.150 nan 0.000 0.493 388 L N 1.375 122.670 121.223 0.119 0.000 2.453 388 L HA 0.266 4.606 4.340 -0.000 0.000 0.261 388 L C 1.825 178.734 176.870 0.065 0.000 1.179 388 L CA -0.012 54.907 54.840 0.132 0.000 0.813 388 L CB 0.798 43.008 42.059 0.252 0.000 1.110 388 L HN 0.900 nan 8.230 nan 0.000 0.466 389 A N 1.344 124.184 122.820 0.034 0.000 2.024 389 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 389 A C 1.802 179.336 177.584 -0.083 0.000 1.164 389 A CA 1.476 53.504 52.037 -0.015 0.000 0.643 389 A CB -0.391 18.601 19.000 -0.014 0.000 0.806 389 A HN 0.873 nan 8.150 nan 0.000 0.451 390 E N 0.479 120.579 120.200 -0.167 0.000 2.481 390 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 390 E C 0.199 176.621 176.600 -0.297 0.000 1.047 390 E CA -0.008 56.140 56.400 -0.419 0.000 0.867 390 E CB 0.111 29.118 29.700 -1.156 0.000 0.858 390 E HN 0.471 nan 8.360 nan 0.000 0.513 391 E N 0.721 120.882 120.200 -0.066 0.000 2.413 391 E HA 0.077 4.427 4.350 -0.000 0.000 0.263 391 E C -0.268 176.331 176.600 -0.001 0.000 1.015 391 E CA 0.472 56.893 56.400 0.034 0.000 0.916 391 E CB 1.243 30.994 29.700 0.085 0.000 0.947 391 E HN -0.106 nan 8.360 nan 0.000 0.440 392 T N 0.764 115.332 114.554 0.024 0.000 2.886 392 T HA 0.581 4.931 4.350 -0.000 0.000 0.292 392 T C -0.265 174.451 174.700 0.027 0.000 1.012 392 T CA 0.439 62.547 62.100 0.013 0.000 0.982 392 T CB 1.102 69.975 68.868 0.008 0.000 1.018 392 T HN 0.713 nan 8.240 nan 0.000 0.451 393 G N 3.420 112.229 108.800 0.015 0.000 2.828 393 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.463 393 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.463 393 G C -0.533 174.372 174.900 0.008 0.000 1.394 393 G CA -0.187 44.919 45.100 0.011 0.000 0.862 393 G HN 0.829 nan 8.290 nan 0.000 0.540 394 D N 1.426 121.821 120.400 -0.007 0.000 2.767 394 D HA 0.424 5.064 4.640 -0.000 0.000 0.241 394 D C 0.765 177.053 176.300 -0.020 0.000 1.187 394 D CA 0.339 54.324 54.000 -0.025 0.000 0.999 394 D CB -0.500 40.266 40.800 -0.056 0.000 1.042 394 D HN 0.704 nan 8.370 nan 0.000 0.510 395 N N -0.567 118.146 118.700 0.022 0.000 3.106 395 N HA 0.181 4.921 4.740 -0.000 0.000 0.253 395 N C -0.924 174.638 175.510 0.087 0.000 1.506 395 N CA -0.723 52.363 53.050 0.060 0.000 0.876 395 N CB 1.146 39.671 38.487 0.064 0.000 1.452 395 N HN -0.157 nan 8.380 nan 0.000 0.542 396 D N -0.337 120.128 120.400 0.108 0.000 2.501 396 D HA 0.124 4.764 4.640 -0.000 0.000 0.226 396 D C 0.249 176.607 176.300 0.095 0.000 1.198 396 D CA -0.224 53.841 54.000 0.109 0.000 0.830 396 D CB 0.003 40.867 40.800 0.107 0.000 1.014 396 D HN 0.358 nan 8.370 nan 0.000 0.496 397 N N 0.861 119.613 118.700 0.086 0.000 2.060 397 N HA -0.204 4.535 4.740 -0.000 0.000 0.195 397 N C 1.407 176.959 175.510 0.069 0.000 1.028 397 N CA 0.891 53.979 53.050 0.064 0.000 0.861 397 N CB -0.461 38.068 38.487 0.069 0.000 1.029 397 N HN 0.279 nan 8.380 nan 0.000 0.428 398 F N 1.468 121.425 119.950 0.012 0.000 2.146 398 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 398 F C 2.554 178.373 175.800 0.032 0.000 1.096 398 F CA 1.165 59.151 58.000 -0.022 0.000 1.275 398 F CB -0.067 38.916 39.000 -0.029 0.000 1.008 398 F HN -0.071 nan 8.300 nan 0.000 0.480 399 R N -0.005 120.517 120.500 0.036 0.000 2.096 399 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 399 R C 1.995 178.389 176.300 0.157 0.000 1.127 399 R CA 1.782 57.943 56.100 0.102 0.000 0.968 399 R CB -0.558 29.853 30.300 0.185 0.000 0.861 399 R HN 0.296 nan 8.270 nan 0.000 0.440 400 V N 1.297 121.291 119.914 0.133 0.000 2.343 400 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 400 V C 2.129 178.355 176.094 0.220 0.000 1.051 400 V CA 1.992 64.463 62.300 0.285 0.000 1.036 400 V CB -0.367 31.516 31.823 0.099 0.000 0.654 400 V HN 0.376 nan 8.190 nan 0.000 0.451 401 K N -0.117 120.257 120.400 -0.044 0.000 2.097 401 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 401 K C 2.356 178.901 176.600 -0.092 0.000 1.050 401 K CA 1.510 57.741 56.287 -0.093 0.000 0.938 401 K CB -0.255 32.083 32.500 -0.271 0.000 0.718 401 K HN 0.352 nan 8.250 nan 0.000 0.442 402 R N 0.145 120.433 120.500 -0.354 0.000 2.081 402 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 402 R C 1.724 177.948 176.300 -0.125 0.000 1.131 402 R CA 1.549 57.499 56.100 -0.250 0.000 0.960 402 R CB -0.227 29.837 30.300 -0.393 0.000 0.856 402 R HN 0.191 nan 8.270 nan 0.000 0.436 403 Y N 0.228 120.447 120.300 -0.135 0.000 2.286 403 Y HA -0.038 4.512 4.550 -0.000 0.000 0.293 403 Y C 2.126 177.820 175.900 -0.343 0.000 1.124 403 Y CA 1.108 59.059 58.100 -0.249 0.000 1.178 403 Y CB -0.062 38.147 38.460 -0.418 0.000 1.010 403 Y HN 0.086 nan 8.280 nan 0.000 0.536 404 I N -0.488 120.053 120.570 -0.049 0.000 2.493 404 I HA -0.254 3.916 4.170 -0.000 0.000 0.254 404 I C 2.272 178.173 176.117 -0.360 0.000 1.160 404 I CA 1.087 62.265 61.300 -0.203 0.000 1.445 404 I CB -0.106 38.001 38.000 0.178 0.000 1.086 404 I HN 0.195 nan 8.210 nan 0.000 0.433 405 A N 0.597 123.344 122.820 -0.122 0.000 2.019 405 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 405 A C 2.182 179.687 177.584 -0.131 0.000 1.164 405 A CA 1.390 53.373 52.037 -0.090 0.000 0.644 405 A CB -0.417 18.575 19.000 -0.014 0.000 0.805 405 A HN 0.416 nan 8.150 nan 0.000 0.449 406 K N -1.299 119.018 120.400 -0.137 0.000 2.147 406 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 406 K C 1.095 177.726 176.600 0.052 0.000 1.049 406 K CA 1.717 57.983 56.287 -0.034 0.000 0.936 406 K CB -0.254 32.238 32.500 -0.012 0.000 0.722 406 K HN 0.916 nan 8.250 nan 0.000 0.446 407 Y N -1.512 118.790 120.300 0.003 0.000 2.612 407 Y HA 0.287 4.837 4.550 -0.000 0.000 0.250 407 Y C 1.091 177.035 175.900 0.074 0.000 1.175 407 Y CA -0.231 57.888 58.100 0.031 0.000 1.205 407 Y CB -0.215 38.251 38.460 0.009 0.000 1.201 407 Y HN -0.060 nan 8.280 nan 0.000 0.532 408 T N -2.812 111.686 114.554 -0.094 0.000 3.409 408 T HA 0.127 4.477 4.350 -0.000 0.000 0.188 408 T C 1.286 176.003 174.700 0.028 0.000 0.929 408 T CA 0.614 62.712 62.100 -0.003 0.000 1.184 408 T CB -0.759 68.081 68.868 -0.046 0.000 1.570 408 T HN 0.095 nan 8.240 nan 0.000 0.367 409 I N 2.983 123.556 120.570 0.005 0.000 2.315 409 I HA -0.002 4.167 4.170 -0.000 0.000 0.248 409 I C 1.888 177.971 176.117 -0.057 0.000 1.117 409 I CA 1.315 62.603 61.300 -0.021 0.000 1.404 409 I CB -0.734 37.198 38.000 -0.113 0.000 1.071 409 I HN 0.254 nan 8.210 nan 0.000 0.419 410 N N 0.759 119.416 118.700 -0.072 0.000 2.120 410 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 410 N C -0.787 174.695 175.510 -0.046 0.000 1.024 410 N CA 1.637 54.643 53.050 -0.074 0.000 0.852 410 N CB -1.815 36.627 38.487 -0.075 0.000 1.003 410 N HN 0.316 nan 8.380 nan 0.000 0.424 411 P HA 0.013 nan 4.420 nan 0.000 0.219 411 P C 1.023 178.360 177.300 0.061 0.000 1.150 411 P CA 1.241 64.373 63.100 0.053 0.000 0.814 411 P CB 0.008 31.767 31.700 0.099 0.000 0.787 412 A N -0.618 122.219 122.820 0.029 0.000 1.898 412 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 412 A C 2.176 179.759 177.584 -0.002 0.000 1.181 412 A CA 1.363 53.406 52.037 0.010 0.000 0.620 412 A CB -1.611 17.399 19.000 0.017 0.000 0.819 412 A HN 0.102 nan 8.150 nan 0.000 0.442 413 L N -0.778 120.431 121.223 -0.023 0.000 2.027 413 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 413 L C 2.798 179.624 176.870 -0.074 0.000 1.074 413 L CA 1.762 56.576 54.840 -0.043 0.000 0.745 413 L CB -0.868 41.150 42.059 -0.068 0.000 0.898 413 L HN 0.347 nan 8.230 nan 0.000 0.433 414 T N -2.063 112.426 114.554 -0.109 0.000 2.759 414 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 414 T C 1.464 175.973 174.700 -0.317 0.000 1.042 414 T CA 1.197 63.162 62.100 -0.224 0.000 1.140 414 T CB -0.258 68.422 68.868 -0.314 0.000 0.864 414 T HN 0.364 nan 8.240 nan 0.000 0.455 415 H N -0.236 118.795 119.070 -0.066 0.000 2.520 415 H HA 0.346 4.901 4.556 -0.000 0.000 0.284 415 H C 1.643 176.929 175.328 -0.071 0.000 1.037 415 H CA 0.344 56.360 56.048 -0.054 0.000 1.168 415 H CB 0.091 29.827 29.762 -0.043 0.000 1.497 415 H HN 0.504 nan 8.280 nan 0.000 0.547 416 G N 2.335 111.133 108.800 -0.004 0.000 2.221 416 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.265 416 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.265 416 G C 0.839 175.791 174.900 0.086 0.000 1.041 416 G CA 0.707 45.826 45.100 0.033 0.000 0.807 416 G HN 0.634 nan 8.290 nan 0.000 0.502 417 I N -4.165 116.396 120.570 -0.014 0.000 4.147 417 I HA 0.670 4.840 4.170 -0.000 0.000 0.329 417 I C 1.802 177.849 176.117 -0.117 0.000 1.424 417 I CA 0.377 61.572 61.300 -0.175 0.000 1.127 417 I CB 0.299 37.931 38.000 -0.613 0.000 1.128 417 I HN 0.118 nan 8.210 nan 0.000 0.417 418 A N 1.870 124.710 122.820 0.035 0.000 2.125 418 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 418 A C 2.025 179.661 177.584 0.086 0.000 1.156 418 A CA 1.870 53.937 52.037 0.050 0.000 0.671 418 A CB -1.281 17.751 19.000 0.053 0.000 0.794 418 A HN 0.854 nan 8.150 nan 0.000 0.459 419 H N -2.769 116.332 119.070 0.052 0.000 2.529 419 H HA 0.188 4.744 4.556 -0.000 0.000 0.277 419 H C 1.501 176.886 175.328 0.095 0.000 0.999 419 H CA 0.994 57.081 56.048 0.064 0.000 1.256 419 H CB 0.177 29.972 29.762 0.055 0.000 1.402 419 H HN 0.390 nan 8.280 nan 0.000 0.566 420 E N 0.987 121.008 120.200 -0.298 0.000 2.256 420 E HA 0.133 4.483 4.350 -0.000 0.000 0.198 420 E C 0.851 177.469 176.600 0.030 0.000 0.908 420 E CA 0.938 57.267 56.400 -0.119 0.000 0.915 420 E CB 1.032 30.676 29.700 -0.092 0.000 0.890 420 E HN 0.393 nan 8.360 nan 0.000 0.484 421 V N -4.790 115.153 119.914 0.049 0.000 3.105 421 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 421 V C 0.789 176.942 176.094 0.099 0.000 1.287 421 V CA -0.176 62.187 62.300 0.104 0.000 1.066 421 V CB 1.259 33.176 31.823 0.158 0.000 1.105 421 V HN 0.303 nan 8.190 nan 0.000 0.462 422 G N -0.062 108.814 108.800 0.126 0.000 2.253 422 G HA2 0.104 4.064 3.960 -0.000 0.000 0.209 422 G HA3 0.104 4.064 3.960 -0.000 0.000 0.209 422 G C 0.253 175.258 174.900 0.174 0.000 0.997 422 G CA 0.613 45.789 45.100 0.127 0.000 0.640 422 G HN 2.452 nan 8.290 nan 0.000 0.496 423 S N -1.117 114.707 115.700 0.206 0.000 2.611 423 S HA 0.657 5.127 4.470 -0.000 0.000 0.268 423 S C -0.761 173.997 174.600 0.263 0.000 1.156 423 S CA -0.711 57.655 58.200 0.277 0.000 0.817 423 S CB 1.209 64.655 63.200 0.410 0.000 1.122 423 S HN 0.769 nan 8.310 nan 0.000 0.466 424 I N 1.577 122.346 120.570 0.331 0.000 2.241 424 I HA 0.387 4.557 4.170 -0.000 0.000 0.294 424 I C -0.103 176.199 176.117 0.309 0.000 1.145 424 I CA 0.193 61.685 61.300 0.319 0.000 1.261 424 I CB -0.218 37.994 38.000 0.354 0.000 1.475 424 I HN 0.574 nan 8.210 nan 0.000 0.533 425 E N 3.996 124.295 120.200 0.164 0.000 2.340 425 E HA 0.335 4.685 4.350 -0.000 0.000 0.273 425 E C -0.704 175.911 176.600 0.024 0.000 0.891 425 E CA -1.033 55.386 56.400 0.032 0.000 0.757 425 E CB 3.189 32.904 29.700 0.024 0.000 1.231 425 E HN 0.296 nan 8.360 nan 0.000 0.439 426 V N 0.153 120.044 119.914 -0.038 0.000 2.694 426 V HA 0.376 4.496 4.120 -0.000 0.000 0.306 426 V C 1.030 177.121 176.094 -0.005 0.000 1.054 426 V CA 1.121 63.398 62.300 -0.038 0.000 1.161 426 V CB 0.087 31.839 31.823 -0.118 0.000 0.916 426 V HN 1.032 nan 8.190 nan 0.000 0.490 427 G N 3.005 111.819 108.800 0.024 0.000 2.241 427 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 427 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 427 G C 0.320 175.258 174.900 0.064 0.000 0.998 427 G CA 0.340 45.466 45.100 0.044 0.000 0.621 427 G HN 0.890 nan 8.290 nan 0.000 0.519 428 K N 0.113 120.555 120.400 0.071 0.000 2.126 428 K HA 0.565 4.885 4.320 -0.000 0.000 0.257 428 K C 0.275 176.926 176.600 0.085 0.000 1.007 428 K CA -0.914 55.422 56.287 0.081 0.000 0.928 428 K CB 1.542 34.101 32.500 0.097 0.000 1.013 428 K HN 0.147 nan 8.250 nan 0.000 0.473 429 L N 1.831 123.102 121.223 0.080 0.000 2.525 429 L HA -0.035 4.305 4.340 -0.000 0.000 0.278 429 L C 0.013 176.939 176.870 0.093 0.000 1.218 429 L CA 0.751 55.637 54.840 0.077 0.000 0.878 429 L CB 0.403 42.502 42.059 0.067 0.000 1.127 429 L HN 0.753 nan 8.230 nan 0.000 0.492 430 A N 3.931 126.804 122.820 0.089 0.000 3.048 430 A HA 0.171 4.491 4.320 -0.000 0.000 0.264 430 A C -0.360 177.278 177.584 0.090 0.000 1.796 430 A CA -0.374 51.721 52.037 0.095 0.000 1.445 430 A CB -1.169 17.885 19.000 0.091 0.000 1.074 430 A HN 0.688 nan 8.150 nan 0.000 0.621 431 D N 1.462 121.923 120.400 0.101 0.000 2.443 431 D HA 0.528 5.168 4.640 -0.000 0.000 0.221 431 D C -0.318 176.047 176.300 0.109 0.000 1.097 431 D CA 0.438 54.497 54.000 0.099 0.000 0.865 431 D CB 0.879 41.747 40.800 0.113 0.000 1.034 431 D HN 0.401 nan 8.370 nan 0.000 0.511 432 L N 1.092 122.367 121.223 0.086 0.000 2.354 432 L HA 0.659 4.999 4.340 -0.000 0.000 0.264 432 L C -0.530 176.359 176.870 0.030 0.000 1.008 432 L CA -1.209 53.685 54.840 0.090 0.000 0.819 432 L CB 2.405 44.520 42.059 0.092 0.000 1.339 432 L HN -0.098 nan 8.230 nan 0.000 0.420 433 V N 2.131 122.056 119.914 0.018 0.000 2.531 433 V HA 0.430 4.550 4.120 -0.000 0.000 0.301 433 V C -0.319 175.626 176.094 -0.249 0.000 1.034 433 V CA -0.680 61.499 62.300 -0.201 0.000 0.865 433 V CB 2.193 33.837 31.823 -0.298 0.000 0.995 433 V HN 0.412 nan 8.190 nan 0.000 0.424 434 V N 4.060 123.787 119.914 -0.312 0.000 2.427 434 V HA 0.536 4.655 4.120 -0.000 0.000 0.286 434 V C -0.849 175.116 176.094 -0.215 0.000 1.034 434 V CA -0.464 61.759 62.300 -0.128 0.000 0.893 434 V CB 1.353 33.155 31.823 -0.035 0.000 0.982 434 V HN 0.916 nan 8.190 nan 0.000 0.452 435 W N 1.825 123.202 121.300 0.128 0.000 2.844 435 W HA 0.645 5.305 4.660 -0.000 0.000 0.340 435 W C 0.166 176.779 176.519 0.157 0.000 1.093 435 W CA -0.701 56.732 57.345 0.147 0.000 1.212 435 W CB 1.742 31.331 29.460 0.214 0.000 1.422 435 W HN 0.436 nan 8.180 nan 0.000 0.515 436 S N 2.062 118.022 115.700 0.434 0.000 2.499 436 S HA 0.319 4.789 4.470 -0.000 0.000 0.279 436 S C -1.529 173.273 174.600 0.337 0.000 1.219 436 S CA -1.365 57.032 58.200 0.329 0.000 1.062 436 S CB 1.077 64.485 63.200 0.347 0.000 0.978 436 S HN 0.205 nan 8.310 nan 0.000 0.489 437 P HA -0.129 nan 4.420 nan 0.000 0.217 437 P C 1.132 178.446 177.300 0.024 0.000 1.151 437 P CA 1.622 64.760 63.100 0.063 0.000 0.849 437 P CB 0.055 31.745 31.700 -0.015 0.000 0.787 438 A N -2.412 120.433 122.820 0.042 0.000 2.121 438 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 438 A C 1.291 178.702 177.584 -0.289 0.000 1.154 438 A CA 1.159 53.110 52.037 -0.144 0.000 0.679 438 A CB -1.257 17.616 19.000 -0.212 0.000 0.795 438 A HN 0.191 nan 8.150 nan 0.000 0.458 439 F N -2.468 117.557 119.950 0.126 0.000 2.724 439 F HA 0.323 4.849 4.527 -0.000 0.000 0.310 439 F C 0.271 176.064 175.800 -0.011 0.000 1.107 439 F CA -1.158 56.874 58.000 0.054 0.000 1.218 439 F CB 0.091 39.177 39.000 0.143 0.000 1.042 439 F HN 0.152 nan 8.300 nan 0.000 0.540 440 F N 1.567 121.463 119.950 -0.090 0.000 2.612 440 F HA 0.330 4.857 4.527 -0.000 0.000 0.389 440 F C 1.368 176.758 175.800 -0.684 0.000 1.055 440 F CA 1.119 58.844 58.000 -0.458 0.000 1.232 440 F CB 0.438 39.099 39.000 -0.565 0.000 1.044 440 F HN 0.327 nan 8.300 nan 0.000 0.560 441 G N 3.353 110.938 108.800 -2.025 0.000 2.212 441 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.266 441 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.266 441 G C 0.537 175.203 174.900 -0.389 0.000 0.978 441 G CA 0.489 44.827 45.100 -1.271 0.000 0.632 441 G HN 0.769 nan 8.290 nan 0.000 0.537 442 V N -0.762 119.040 119.914 -0.187 0.000 2.840 442 V HA 0.382 4.502 4.120 -0.000 0.000 0.234 442 V C 0.990 177.193 176.094 0.181 0.000 1.159 442 V CA 1.781 64.060 62.300 -0.035 0.000 1.194 442 V CB 0.361 31.924 31.823 -0.432 0.000 0.971 442 V HN 0.271 nan 8.190 nan 0.000 0.494 443 K N 1.146 121.723 120.400 0.295 0.000 2.637 443 K HA 0.451 4.771 4.320 -0.000 0.000 0.248 443 K C -2.929 173.865 176.600 0.323 0.000 0.971 443 K CA -1.604 54.851 56.287 0.280 0.000 0.858 443 K CB 2.600 35.217 32.500 0.195 0.000 1.170 443 K HN 0.153 nan 8.250 nan 0.000 0.443 444 P HA 0.076 nan 4.420 nan 0.000 0.274 444 P C -0.086 177.191 177.300 -0.038 0.000 1.237 444 P CA -0.179 62.769 63.100 -0.253 0.000 0.793 444 P CB 1.064 32.364 31.700 -0.667 0.000 0.977 445 A N 1.174 123.927 122.820 -0.111 0.000 1.984 445 A HA 0.183 4.503 4.320 -0.000 0.000 0.214 445 A C 0.417 177.943 177.584 -0.097 0.000 1.173 445 A CA 1.373 53.359 52.037 -0.086 0.000 0.673 445 A CB -0.378 18.602 19.000 -0.033 0.000 0.830 445 A HN 0.560 nan 8.150 nan 0.000 0.453 446 T N -0.735 113.741 114.554 -0.130 0.000 3.097 446 T HA 0.489 4.839 4.350 -0.000 0.000 0.332 446 T C -1.351 173.268 174.700 -0.135 0.000 1.269 446 T CA -0.409 61.634 62.100 -0.095 0.000 1.076 446 T CB 1.898 70.729 68.868 -0.063 0.000 1.209 446 T HN 0.019 nan 8.240 nan 0.000 0.474 447 V N 3.925 123.791 119.914 -0.080 0.000 2.378 447 V HA 0.512 4.632 4.120 -0.000 0.000 0.288 447 V C -0.326 175.753 176.094 -0.024 0.000 1.016 447 V CA -0.731 61.521 62.300 -0.080 0.000 0.840 447 V CB 1.146 32.929 31.823 -0.067 0.000 0.994 447 V HN 0.786 nan 8.190 nan 0.000 0.431 448 I N 5.061 125.624 120.570 -0.010 0.000 2.336 448 I HA 0.459 4.629 4.170 -0.000 0.000 0.292 448 I C 0.187 176.327 176.117 0.039 0.000 0.991 448 I CA -0.409 60.903 61.300 0.020 0.000 1.227 448 I CB 1.243 39.259 38.000 0.028 0.000 1.366 448 I HN 0.383 nan 8.210 nan 0.000 0.466 449 K N 4.493 124.920 120.400 0.045 0.000 2.394 449 K HA 0.340 4.660 4.320 -0.000 0.000 0.260 449 K C 0.419 177.055 176.600 0.061 0.000 0.967 449 K CA -0.327 55.992 56.287 0.054 0.000 0.855 449 K CB 1.801 34.331 32.500 0.051 0.000 1.101 449 K HN 0.913 nan 8.250 nan 0.000 0.433 450 G N 2.044 110.883 108.800 0.064 0.000 2.283 450 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 450 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 450 G C 0.730 175.677 174.900 0.078 0.000 1.029 450 G CA 0.984 46.125 45.100 0.068 0.000 0.840 450 G HN 1.074 nan 8.290 nan 0.000 0.505 451 G N -2.120 106.721 108.800 0.068 0.000 2.175 451 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.244 451 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.244 451 G C 0.262 175.189 174.900 0.045 0.000 0.982 451 G CA 0.817 45.952 45.100 0.059 0.000 0.641 451 G HN 1.073 nan 8.290 nan 0.000 0.527 452 M N 0.474 120.105 119.600 0.052 0.000 2.465 452 M HA 0.537 5.017 4.480 -0.000 0.000 0.316 452 M C 0.211 176.541 176.300 0.050 0.000 1.121 452 M CA -0.872 54.457 55.300 0.049 0.000 0.934 452 M CB 2.223 34.859 32.600 0.060 0.000 1.692 452 M HN 0.048 nan 8.290 nan 0.000 0.444 453 I N 1.805 122.405 120.570 0.051 0.000 2.598 453 I HA 0.039 4.209 4.170 -0.000 0.000 0.284 453 I C 0.919 177.063 176.117 0.044 0.000 1.140 453 I CA 0.156 61.480 61.300 0.040 0.000 1.420 453 I CB 1.065 39.088 38.000 0.037 0.000 1.387 453 I HN 0.894 nan 8.210 nan 0.000 0.553 454 A N 7.203 130.040 122.820 0.027 0.000 2.035 454 A HA 0.416 4.736 4.320 -0.000 0.000 0.208 454 A C 0.618 178.206 177.584 0.007 0.000 1.206 454 A CA 0.517 52.566 52.037 0.020 0.000 0.773 454 A CB 0.450 19.465 19.000 0.026 0.000 0.878 454 A HN 0.651 nan 8.150 nan 0.000 0.469 455 I N -2.035 118.544 120.570 0.015 0.000 2.842 455 I HA 0.604 4.774 4.170 -0.000 0.000 0.297 455 I C -1.407 174.747 176.117 0.061 0.000 1.380 455 I CA -0.459 60.865 61.300 0.040 0.000 1.018 455 I CB 2.176 40.217 38.000 0.067 0.000 1.311 455 I HN 0.269 nan 8.210 nan 0.000 0.439 456 A N 5.677 128.532 122.820 0.057 0.000 2.586 456 A HA 0.821 5.141 4.320 -0.000 0.000 0.291 456 A C -3.117 174.309 177.584 -0.263 0.000 1.062 456 A CA -1.156 50.861 52.037 -0.034 0.000 0.666 456 A CB 1.594 20.549 19.000 -0.076 0.000 1.281 456 A HN 0.311 nan 8.150 nan 0.000 0.421 457 P HA 0.530 nan 4.420 nan 0.000 0.276 457 P C -0.788 176.282 177.300 -0.384 0.000 1.230 457 P CA 0.055 62.721 63.100 -0.722 0.000 0.776 457 P CB 0.628 31.905 31.700 -0.705 0.000 0.888 458 M N 2.907 122.290 119.600 -0.361 0.000 2.326 458 M HA 0.599 5.079 4.480 -0.000 0.000 0.292 458 M C -0.215 175.920 176.300 -0.275 0.000 1.081 458 M CA -0.406 54.731 55.300 -0.271 0.000 0.919 458 M CB 1.519 33.974 32.600 -0.243 0.000 1.634 458 M HN 0.411 nan 8.290 nan 0.000 0.451 459 G N 1.284 109.974 108.800 -0.183 0.000 2.510 459 G HA2 0.251 4.211 3.960 -0.000 0.000 0.280 459 G HA3 0.251 4.211 3.960 -0.000 0.000 0.280 459 G C -0.862 173.971 174.900 -0.112 0.000 1.386 459 G CA -0.577 44.442 45.100 -0.135 0.000 1.047 459 G HN 0.744 nan 8.290 nan 0.000 0.527 460 D N -0.077 120.285 120.400 -0.063 0.000 2.793 460 D HA -0.107 4.533 4.640 -0.000 0.000 0.230 460 D C 1.758 178.031 176.300 -0.045 0.000 1.139 460 D CA -0.227 53.749 54.000 -0.039 0.000 0.838 460 D CB 0.251 41.039 40.800 -0.021 0.000 1.149 460 D HN 0.051 nan 8.370 nan 0.000 0.526 461 I N 3.692 124.236 120.570 -0.044 0.000 2.361 461 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 461 I C 1.865 177.969 176.117 -0.022 0.000 1.133 461 I CA 0.999 62.275 61.300 -0.040 0.000 1.413 461 I CB -1.083 36.894 38.000 -0.037 0.000 1.073 461 I HN 0.445 nan 8.210 nan 0.000 0.424 462 N N 0.905 119.596 118.700 -0.015 0.000 2.336 462 N HA 0.121 4.861 4.740 -0.000 0.000 0.189 462 N C 0.697 176.202 175.510 -0.009 0.000 1.113 462 N CA 0.176 53.221 53.050 -0.009 0.000 0.858 462 N CB 0.249 38.733 38.487 -0.004 0.000 0.970 462 N HN 0.268 nan 8.380 nan 0.000 0.471 463 A N -0.422 122.390 122.820 -0.014 0.000 2.386 463 A HA 0.231 4.551 4.320 -0.000 0.000 0.246 463 A C 1.411 178.988 177.584 -0.011 0.000 1.089 463 A CA 0.276 52.305 52.037 -0.013 0.000 0.790 463 A CB 0.003 18.992 19.000 -0.019 0.000 1.042 463 A HN 0.468 nan 8.150 nan 0.000 0.497 464 S N -0.352 115.342 115.700 -0.010 0.000 2.489 464 S HA 0.163 4.633 4.470 -0.000 0.000 0.228 464 S C 0.544 175.139 174.600 -0.008 0.000 0.995 464 S CA 0.962 59.158 58.200 -0.007 0.000 0.934 464 S CB -0.949 62.247 63.200 -0.007 0.000 0.771 464 S HN 0.785 nan 8.310 nan 0.000 0.522 465 I N -3.008 117.554 120.570 -0.013 0.000 3.191 465 I HA 0.449 4.619 4.170 -0.000 0.000 0.313 465 I C -2.503 173.600 176.117 -0.024 0.000 1.193 465 I CA -2.724 58.568 61.300 -0.014 0.000 0.968 465 I CB 1.713 39.705 38.000 -0.014 0.000 1.262 465 I HN -0.358 nan 8.210 nan 0.000 0.456 466 P HA -0.024 nan 4.420 nan 0.000 0.241 466 P C 1.065 178.327 177.300 -0.062 0.000 1.191 466 P CA 0.961 64.033 63.100 -0.046 0.000 0.771 466 P CB 0.106 31.780 31.700 -0.043 0.000 0.929 467 T N -4.103 110.421 114.554 -0.050 0.000 3.043 467 T HA 0.169 4.519 4.350 -0.000 0.000 0.263 467 T C -1.493 173.177 174.700 -0.050 0.000 1.094 467 T CA -0.316 61.751 62.100 -0.055 0.000 1.127 467 T CB -2.021 66.822 68.868 -0.042 0.000 0.905 467 T HN 0.133 nan 8.240 nan 0.000 0.490 468 P HA 0.181 nan 4.420 nan 0.000 0.269 468 P C 0.117 177.399 177.300 -0.031 0.000 1.209 468 P CA -0.158 62.924 63.100 -0.030 0.000 0.776 468 P CB 0.365 32.052 31.700 -0.022 0.000 0.876 469 Q N 2.896 122.685 119.800 -0.019 0.000 2.454 469 Q HA 0.185 4.525 4.340 -0.000 0.000 0.247 469 Q C -1.884 174.122 176.000 0.009 0.000 1.028 469 Q CA -1.142 54.657 55.803 -0.006 0.000 0.910 469 Q CB -0.564 28.175 28.738 0.001 0.000 1.276 469 Q HN 0.401 nan 8.270 nan 0.000 0.489 470 P HA 0.205 nan 4.420 nan 0.000 0.285 470 P C -0.837 176.503 177.300 0.068 0.000 1.259 470 P CA -0.336 62.810 63.100 0.077 0.000 0.794 470 P CB 0.899 32.681 31.700 0.136 0.000 0.940 471 V N 5.320 125.249 119.914 0.025 0.000 2.350 471 V HA 0.354 4.474 4.120 -0.000 0.000 0.276 471 V C 0.191 176.277 176.094 -0.013 0.000 1.028 471 V CA -0.133 62.121 62.300 -0.077 0.000 0.860 471 V CB 0.105 31.853 31.823 -0.126 0.000 0.990 471 V HN 0.864 nan 8.190 nan 0.000 0.453 472 H N 2.052 121.043 119.070 -0.131 0.000 3.008 472 H HA 0.637 5.193 4.556 -0.000 0.000 0.354 472 H C -1.510 173.730 175.328 -0.146 0.000 1.252 472 H CA -1.142 54.851 56.048 -0.093 0.000 1.117 472 H CB 0.774 30.550 29.762 0.023 0.000 1.857 472 H HN 0.363 nan 8.280 nan 0.000 0.547 473 Y N 1.236 121.584 120.300 0.080 0.000 2.544 473 Y HA 0.255 4.805 4.550 -0.000 0.000 0.330 473 Y C 0.598 176.499 175.900 0.003 0.000 1.136 473 Y CA 0.329 58.432 58.100 0.005 0.000 1.417 473 Y CB 0.492 38.966 38.460 0.023 0.000 1.229 473 Y HN 0.373 nan 8.280 nan 0.000 0.532 474 R N 4.193 124.709 120.500 0.027 0.000 2.744 474 R HA 0.425 4.765 4.340 -0.000 0.000 0.279 474 R C -3.000 173.284 176.300 -0.027 0.000 0.977 474 R CA -2.368 53.722 56.100 -0.017 0.000 0.906 474 R CB 1.569 31.791 30.300 -0.130 0.000 1.197 474 R HN 0.317 nan 8.270 nan 0.000 0.463 475 P HA 0.058 nan 4.420 nan 0.000 0.268 475 P C -0.425 176.789 177.300 -0.143 0.000 1.204 475 P CA 0.171 63.235 63.100 -0.060 0.000 0.768 475 P CB 0.625 32.292 31.700 -0.055 0.000 0.842 476 M N 1.814 121.331 119.600 -0.138 0.000 2.799 476 M HA 0.339 4.819 4.480 -0.000 0.000 0.274 476 M C 1.396 177.548 176.300 -0.246 0.000 1.137 476 M CA -0.717 54.440 55.300 -0.239 0.000 0.897 476 M CB -0.447 32.095 32.600 -0.096 0.000 1.567 476 M HN 0.237 nan 8.290 nan 0.000 0.536 477 F N 0.658 120.592 119.950 -0.027 0.000 2.202 477 F HA -0.097 4.430 4.527 -0.000 0.000 0.301 477 F C 2.247 178.029 175.800 -0.031 0.000 1.082 477 F CA 1.518 59.499 58.000 -0.032 0.000 1.313 477 F CB -0.900 38.079 39.000 -0.035 0.000 1.024 477 F HN 0.754 nan 8.300 nan 0.000 0.495 478 G N -0.691 108.185 108.800 0.127 0.000 2.559 478 G HA2 0.009 3.969 3.960 -0.000 0.000 0.216 478 G HA3 0.009 3.969 3.960 -0.000 0.000 0.216 478 G C 1.481 176.400 174.900 0.032 0.000 1.126 478 G CA 0.606 45.751 45.100 0.074 0.000 0.778 478 G HN 0.432 nan 8.290 nan 0.000 0.543 479 A N -0.287 122.535 122.820 0.004 0.000 2.430 479 A HA 0.603 4.923 4.320 -0.000 0.000 0.243 479 A C 0.554 178.112 177.584 -0.043 0.000 1.254 479 A CA -0.330 51.695 52.037 -0.019 0.000 0.914 479 A CB 0.138 19.125 19.000 -0.023 0.000 0.998 479 A HN 0.244 nan 8.150 nan 0.000 0.515 480 L N -0.177 121.024 121.223 -0.037 0.000 2.295 480 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 480 L C 1.628 178.439 176.870 -0.099 0.000 1.035 480 L CA -0.185 54.625 54.840 -0.050 0.000 0.806 480 L CB 1.166 43.224 42.059 -0.002 0.000 1.214 480 L HN 0.523 nan 8.230 nan 0.000 0.426 481 G N 2.404 111.118 108.800 -0.143 0.000 2.699 481 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.408 481 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.408 481 G C 1.137 175.760 174.900 -0.461 0.000 1.112 481 G CA 1.016 45.970 45.100 -0.243 0.000 0.885 481 G HN 0.629 nan 8.290 nan 0.000 0.690 482 S N 0.708 116.261 115.700 -0.245 0.000 2.419 482 S HA 0.085 4.554 4.470 -0.000 0.000 0.233 482 S C 2.730 177.297 174.600 -0.056 0.000 1.016 482 S CA 1.777 59.899 58.200 -0.130 0.000 0.974 482 S CB -0.487 62.725 63.200 0.021 0.000 0.786 482 S HN 1.172 nan 8.310 nan 0.000 0.492 483 A N 1.896 124.683 122.820 -0.054 0.000 1.930 483 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 483 A C 2.080 179.682 177.584 0.029 0.000 1.175 483 A CA 1.298 53.338 52.037 0.005 0.000 0.627 483 A CB -0.501 18.511 19.000 0.021 0.000 0.815 483 A HN 0.422 nan 8.150 nan 0.000 0.443 484 R N -0.675 119.791 120.500 -0.057 0.000 2.073 484 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 484 R C 1.956 178.283 176.300 0.045 0.000 1.134 484 R CA 2.017 58.095 56.100 -0.037 0.000 0.952 484 R CB -0.606 29.628 30.300 -0.111 0.000 0.850 484 R HN 0.786 nan 8.270 nan 0.000 0.433 485 H N -2.057 117.037 119.070 0.039 0.000 2.387 485 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 485 H C 1.961 177.304 175.328 0.024 0.000 1.099 485 H CA 1.634 57.692 56.048 0.018 0.000 1.315 485 H CB -0.130 29.643 29.762 0.018 0.000 1.380 485 H HN 0.456 nan 8.280 nan 0.000 0.513 486 H N -0.809 118.322 119.070 0.101 0.000 2.529 486 H HA 0.020 4.576 4.556 -0.000 0.000 0.277 486 H C 1.217 176.562 175.328 0.027 0.000 0.999 486 H CA 0.942 57.020 56.048 0.049 0.000 1.256 486 H CB 0.255 30.037 29.762 0.033 0.000 1.402 486 H HN 0.304 nan 8.280 nan 0.000 0.566 487 C N 1.220 120.597 119.300 0.129 0.000 3.038 487 C HA 0.278 4.738 4.460 -0.000 0.000 0.279 487 C C 0.669 175.677 174.990 0.030 0.000 1.276 487 C CA -0.369 58.699 59.018 0.083 0.000 1.697 487 C CB -1.077 26.722 27.740 0.097 0.000 2.032 487 C HN 0.519 nan 8.230 nan 0.000 0.636 488 R N 0.142 120.647 120.500 0.007 0.000 2.892 488 R HA 0.838 5.178 4.340 -0.000 0.000 0.265 488 R C -1.529 174.708 176.300 -0.106 0.000 1.025 488 R CA -0.653 55.432 56.100 -0.025 0.000 0.982 488 R CB 0.958 31.262 30.300 0.006 0.000 1.185 488 R HN 0.092 nan 8.270 nan 0.000 0.484 489 L N 0.735 121.842 121.223 -0.194 0.000 2.362 489 L HA 0.470 4.810 4.340 -0.000 0.000 0.271 489 L C -0.664 175.930 176.870 -0.459 0.000 1.002 489 L CA -0.912 53.697 54.840 -0.383 0.000 0.818 489 L CB 2.753 44.427 42.059 -0.640 0.000 1.298 489 L HN 0.744 nan 8.230 nan 0.000 0.420 490 T N 2.356 116.677 114.554 -0.388 0.000 2.772 490 T HA 0.507 4.856 4.350 -0.000 0.000 0.288 490 T C -0.485 174.050 174.700 -0.274 0.000 0.994 490 T CA -0.256 61.690 62.100 -0.257 0.000 0.951 490 T CB 0.278 69.064 68.868 -0.136 0.000 0.933 490 T HN 0.097 nan 8.240 nan 0.000 0.447 491 F N 3.424 123.392 119.950 0.031 0.000 2.410 491 F HA 0.531 5.058 4.527 -0.000 0.000 0.348 491 F C 0.451 176.277 175.800 0.044 0.000 1.106 491 F CA -0.767 57.261 58.000 0.046 0.000 1.163 491 F CB 0.644 39.683 39.000 0.065 0.000 1.129 491 F HN 0.185 nan 8.300 nan 0.000 0.516 492 L N 1.773 123.132 121.223 0.227 0.000 2.309 492 L HA 0.513 4.853 4.340 -0.000 0.000 0.261 492 L C -0.119 176.831 176.870 0.134 0.000 1.021 492 L CA -1.092 53.830 54.840 0.137 0.000 0.823 492 L CB 2.380 44.484 42.059 0.075 0.000 1.366 492 L HN 0.641 nan 8.230 nan 0.000 0.423 493 S N -0.514 115.241 115.700 0.092 0.000 2.614 493 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 493 S C 0.532 175.167 174.600 0.059 0.000 1.303 493 S CA -0.546 57.698 58.200 0.073 0.000 1.000 493 S CB 1.333 64.564 63.200 0.052 0.000 0.935 493 S HN 0.687 nan 8.310 nan 0.000 0.551 494 Q N 0.890 120.718 119.800 0.046 0.000 2.135 494 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 494 Q C 2.476 178.490 176.000 0.024 0.000 0.981 494 Q CA 1.610 57.433 55.803 0.033 0.000 0.856 494 Q CB -0.612 28.138 28.738 0.019 0.000 0.902 494 Q HN 0.920 nan 8.270 nan 0.000 0.425 495 A N 1.056 123.888 122.820 0.021 0.000 1.902 495 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 495 A C 2.302 179.895 177.584 0.015 0.000 1.181 495 A CA 1.575 53.621 52.037 0.015 0.000 0.623 495 A CB -0.839 18.169 19.000 0.012 0.000 0.818 495 A HN 0.400 nan 8.150 nan 0.000 0.443 496 A N -0.112 122.720 122.820 0.020 0.000 1.902 496 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 496 A C 2.520 180.111 177.584 0.013 0.000 1.181 496 A CA 2.114 54.161 52.037 0.016 0.000 0.623 496 A CB -1.069 17.944 19.000 0.022 0.000 0.818 496 A HN 1.064 nan 8.150 nan 0.000 0.443 497 A N -0.054 122.778 122.820 0.021 0.000 1.883 497 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 497 A C 2.514 180.104 177.584 0.010 0.000 1.186 497 A CA 2.352 54.400 52.037 0.017 0.000 0.624 497 A CB -1.072 17.946 19.000 0.030 0.000 0.822 497 A HN 1.112 nan 8.150 nan 0.000 0.444 498 A N -0.148 122.678 122.820 0.010 0.000 1.969 498 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 498 A C 1.733 179.318 177.584 0.002 0.000 1.169 498 A CA 1.579 53.619 52.037 0.006 0.000 0.635 498 A CB -0.549 18.454 19.000 0.006 0.000 0.810 498 A HN 0.523 nan 8.150 nan 0.000 0.445 499 N N -0.372 118.329 118.700 0.002 0.000 2.550 499 N HA 0.055 4.795 4.740 -0.000 0.000 0.186 499 N C 1.123 176.631 175.510 -0.004 0.000 1.110 499 N CA 1.098 54.148 53.050 -0.000 0.000 0.912 499 N CB -0.122 38.365 38.487 0.000 0.000 0.968 499 N HN 0.676 nan 8.380 nan 0.000 0.448 500 G N -0.115 108.681 108.800 -0.005 0.000 2.160 500 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 500 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 500 G C 0.977 175.867 174.900 -0.016 0.000 1.022 500 G CA 0.385 45.479 45.100 -0.010 0.000 0.741 500 G HN 0.212 nan 8.290 nan 0.000 0.508 501 V N 0.093 119.997 119.914 -0.015 0.000 2.392 501 V HA -0.135 3.985 4.120 -0.000 0.000 0.249 501 V C 3.199 179.272 176.094 -0.035 0.000 1.059 501 V CA 3.111 65.397 62.300 -0.023 0.000 1.051 501 V CB -0.862 30.951 31.823 -0.017 0.000 0.658 501 V HN 1.000 nan 8.190 nan 0.000 0.455 502 A N -0.228 122.571 122.820 -0.034 0.000 1.933 502 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 502 A C 2.108 179.662 177.584 -0.050 0.000 1.175 502 A CA 1.959 53.968 52.037 -0.047 0.000 0.628 502 A CB -0.411 18.562 19.000 -0.044 0.000 0.814 502 A HN 0.558 nan 8.150 nan 0.000 0.444 503 E N -0.607 119.570 120.200 -0.038 0.000 2.072 503 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 503 E C 2.149 178.727 176.600 -0.037 0.000 0.982 503 E CA 1.145 57.525 56.400 -0.035 0.000 0.803 503 E CB -0.275 29.410 29.700 -0.025 0.000 0.755 503 E HN 0.618 nan 8.360 nan 0.000 0.453 504 R N 0.354 120.833 120.500 -0.035 0.000 2.073 504 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 504 R C 1.853 178.123 176.300 -0.049 0.000 1.134 504 R CA 1.164 57.243 56.100 -0.036 0.000 0.952 504 R CB -0.205 30.077 30.300 -0.031 0.000 0.850 504 R HN 0.194 nan 8.270 nan 0.000 0.433 505 L N 0.508 121.695 121.223 -0.060 0.000 2.554 505 L HA 0.025 4.365 4.340 -0.000 0.000 0.226 505 L C 0.600 177.421 176.870 -0.082 0.000 1.137 505 L CA 0.220 55.012 54.840 -0.080 0.000 0.863 505 L CB -0.359 41.644 42.059 -0.093 0.000 0.985 505 L HN 0.457 nan 8.230 nan 0.000 0.451 506 N N 1.193 119.851 118.700 -0.071 0.000 2.756 506 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 506 N C -0.470 174.979 175.510 -0.102 0.000 1.062 506 N CA -0.144 52.862 53.050 -0.074 0.000 0.696 506 N CB -0.429 38.020 38.487 -0.063 0.000 0.946 506 N HN 0.038 nan 8.380 nan 0.000 0.548 507 L N 1.452 122.610 121.223 -0.109 0.000 2.455 507 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 507 L C 1.827 178.591 176.870 -0.176 0.000 1.174 507 L CA 0.742 55.495 54.840 -0.145 0.000 0.869 507 L CB 0.882 42.868 42.059 -0.122 0.000 1.130 507 L HN 0.169 nan 8.230 nan 0.000 0.474 508 R N 0.428 120.754 120.500 -0.290 0.000 2.189 508 R HA 0.156 4.496 4.340 -0.000 0.000 0.203 508 R C 0.619 176.748 176.300 -0.284 0.000 1.012 508 R CA 0.212 56.097 56.100 -0.358 0.000 1.015 508 R CB -0.006 29.870 30.300 -0.706 0.000 0.938 508 R HN 0.640 nan 8.270 nan 0.000 0.472 509 S N 0.353 115.893 115.700 -0.266 0.000 2.624 509 S HA 0.493 4.963 4.470 -0.000 0.000 0.263 509 S C 0.146 174.677 174.600 -0.115 0.000 1.287 509 S CA -0.478 57.652 58.200 -0.117 0.000 0.990 509 S CB 1.087 64.234 63.200 -0.088 0.000 0.950 509 S HN 0.385 nan 8.310 nan 0.000 0.561 510 A N 1.391 124.140 122.820 -0.119 0.000 2.445 510 A HA 0.450 4.770 4.320 -0.000 0.000 0.242 510 A C -0.114 177.379 177.584 -0.152 0.000 1.075 510 A CA -0.173 51.779 52.037 -0.142 0.000 0.777 510 A CB -0.203 18.691 19.000 -0.176 0.000 1.013 510 A HN 0.588 nan 8.150 nan 0.000 0.493 511 I N 0.818 121.316 120.570 -0.121 0.000 2.460 511 I HA 0.612 4.782 4.170 -0.000 0.000 0.298 511 I C 0.493 176.561 176.117 -0.081 0.000 0.989 511 I CA -0.145 61.090 61.300 -0.107 0.000 1.173 511 I CB 1.173 39.139 38.000 -0.057 0.000 1.338 511 I HN 0.742 nan 8.210 nan 0.000 0.456 512 A N 5.901 128.674 122.820 -0.079 0.000 2.435 512 A HA 0.811 5.131 4.320 -0.000 0.000 0.304 512 A C -1.060 176.669 177.584 0.241 0.000 1.064 512 A CA -0.513 51.566 52.037 0.071 0.000 0.727 512 A CB 1.768 20.766 19.000 -0.003 0.000 1.284 512 A HN 0.374 nan 8.150 nan 0.000 0.415 513 V N 1.914 122.010 119.914 0.302 0.000 2.581 513 V HA 0.560 4.680 4.120 -0.000 0.000 0.303 513 V C 0.363 176.657 176.094 0.334 0.000 1.041 513 V CA -0.577 61.880 62.300 0.261 0.000 0.907 513 V CB 1.549 33.459 31.823 0.144 0.000 0.994 513 V HN 1.040 nan 8.190 nan 0.000 0.442 514 V N 2.447 122.505 119.914 0.240 0.000 2.686 514 V HA 0.803 4.923 4.120 -0.000 0.000 0.295 514 V C -0.359 175.785 176.094 0.084 0.000 1.057 514 V CA -0.497 61.915 62.300 0.186 0.000 1.012 514 V CB 0.928 32.814 31.823 0.104 0.000 1.006 514 V HN 1.083 nan 8.190 nan 0.000 0.477 515 K N 1.880 122.302 120.400 0.036 0.000 2.587 515 K HA 0.694 5.014 4.320 -0.000 0.000 0.276 515 K C 0.099 176.676 176.600 -0.038 0.000 0.956 515 K CA -0.551 55.713 56.287 -0.039 0.000 0.857 515 K CB 1.437 33.862 32.500 -0.123 0.000 1.431 515 K HN 1.922 nan 8.250 nan 0.000 0.420 516 G N 0.702 109.477 108.800 -0.041 0.000 2.149 516 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 516 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 516 G C 0.553 175.427 174.900 -0.043 0.000 1.018 516 G CA 0.123 45.199 45.100 -0.039 0.000 0.728 516 G HN 0.666 nan 8.290 nan 0.000 0.508 517 C N -0.259 119.014 119.300 -0.045 0.000 2.485 517 C HA 0.150 4.610 4.460 -0.000 0.000 0.277 517 C C 2.574 177.519 174.990 -0.075 0.000 1.376 517 C CA 1.033 60.009 59.018 -0.071 0.000 1.759 517 C CB -0.459 27.242 27.740 -0.066 0.000 1.970 517 C HN 0.580 nan 8.230 nan 0.000 0.509 518 R N 1.187 121.654 120.500 -0.055 0.000 2.173 518 R HA -0.003 4.337 4.340 -0.000 0.000 0.208 518 R C 1.966 178.238 176.300 -0.047 0.000 1.035 518 R CA 1.557 57.626 56.100 -0.050 0.000 1.004 518 R CB -1.328 28.949 30.300 -0.039 0.000 0.917 518 R HN 0.688 nan 8.270 nan 0.000 0.462 519 T N -0.840 113.687 114.554 -0.045 0.000 3.081 519 T HA 0.094 4.444 4.350 -0.000 0.000 0.255 519 T C 1.159 175.833 174.700 -0.044 0.000 1.113 519 T CA -0.149 61.928 62.100 -0.040 0.000 1.082 519 T CB -0.373 68.475 68.868 -0.034 0.000 0.939 519 T HN -0.020 nan 8.240 nan 0.000 0.506 520 V N 1.552 121.432 119.914 -0.057 0.000 2.686 520 V HA 0.549 4.669 4.120 -0.000 0.000 0.295 520 V C -0.297 175.759 176.094 -0.063 0.000 1.055 520 V CA -1.057 61.205 62.300 -0.064 0.000 1.050 520 V CB 0.592 32.365 31.823 -0.083 0.000 0.984 520 V HN 0.673 nan 8.190 nan 0.000 0.482 521 Q N 1.870 121.636 119.800 -0.056 0.000 2.605 521 Q HA 0.535 4.875 4.340 -0.000 0.000 0.296 521 Q C 0.385 176.355 176.000 -0.050 0.000 1.056 521 Q CA -1.111 54.663 55.803 -0.048 0.000 0.778 521 Q CB 1.631 30.349 28.738 -0.032 0.000 1.497 521 Q HN 0.366 nan 8.270 nan 0.000 0.443 522 K N 0.842 121.218 120.400 -0.041 0.000 2.113 522 K HA -0.143 4.176 4.320 -0.000 0.000 0.208 522 K C 1.772 178.353 176.600 -0.032 0.000 1.047 522 K CA 2.419 58.683 56.287 -0.039 0.000 0.928 522 K CB -0.867 31.619 32.500 -0.024 0.000 0.716 522 K HN 0.679 nan 8.250 nan 0.000 0.446 523 A N 0.478 123.283 122.820 -0.025 0.000 2.125 523 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 523 A C 1.321 178.889 177.584 -0.027 0.000 1.156 523 A CA 1.826 53.852 52.037 -0.018 0.000 0.671 523 A CB -0.377 18.615 19.000 -0.013 0.000 0.794 523 A HN 0.391 nan 8.150 nan 0.000 0.459 524 D N -0.595 119.780 120.400 -0.042 0.000 2.348 524 D HA 0.040 4.679 4.640 -0.000 0.000 0.211 524 D C 0.345 176.598 176.300 -0.077 0.000 0.998 524 D CA 0.263 54.230 54.000 -0.055 0.000 0.873 524 D CB -0.092 40.674 40.800 -0.056 0.000 0.925 524 D HN 0.282 nan 8.370 nan 0.000 0.524 525 M N 1.779 121.335 119.600 -0.073 0.000 2.251 525 M HA 0.058 4.538 4.480 -0.000 0.000 0.346 525 M C 0.005 176.243 176.300 -0.102 0.000 1.499 525 M CA -0.194 55.053 55.300 -0.088 0.000 1.128 525 M CB 0.667 33.224 32.600 -0.070 0.000 1.809 525 M HN -0.322 nan 8.290 nan 0.000 0.464 526 V N 6.473 126.281 119.914 -0.176 0.000 2.509 526 V HA -0.091 4.029 4.120 -0.000 0.000 0.297 526 V C 1.139 177.111 176.094 -0.202 0.000 1.014 526 V CA 0.398 62.517 62.300 -0.302 0.000 1.127 526 V CB -0.893 30.634 31.823 -0.494 0.000 0.925 526 V HN 0.901 nan 8.190 nan 0.000 0.480 527 H N 2.645 121.738 119.070 0.037 0.000 3.366 527 H HA -0.160 4.396 4.556 -0.000 0.000 0.233 527 H C 0.586 175.940 175.328 0.044 0.000 1.102 527 H CA 1.370 57.467 56.048 0.082 0.000 1.184 527 H CB -1.300 28.444 29.762 -0.031 0.000 1.216 527 H HN 0.852 nan 8.280 nan 0.000 0.317 528 N N 0.064 118.817 118.700 0.088 0.000 2.687 528 N HA 0.137 4.877 4.740 -0.000 0.000 0.275 528 N C 0.137 175.660 175.510 0.022 0.000 1.789 528 N CA 0.652 53.729 53.050 0.044 0.000 0.806 528 N CB 1.035 39.523 38.487 0.001 0.000 1.256 528 N HN 0.288 nan 8.380 nan 0.000 0.500 529 S N -0.720 115.004 115.700 0.041 0.000 2.650 529 S HA 0.154 4.624 4.470 -0.000 0.000 0.240 529 S C 0.363 174.977 174.600 0.024 0.000 1.007 529 S CA -0.417 57.795 58.200 0.020 0.000 0.984 529 S CB 0.271 63.483 63.200 0.019 0.000 0.910 529 S HN 0.256 nan 8.310 nan 0.000 0.509 530 L N 2.663 123.908 121.223 0.036 0.000 2.455 530 L HA 0.342 4.682 4.340 -0.000 0.000 0.272 530 L C -0.170 176.712 176.870 0.021 0.000 1.174 530 L CA 0.847 55.707 54.840 0.033 0.000 0.869 530 L CB 0.513 42.599 42.059 0.045 0.000 1.130 530 L HN 0.288 nan 8.230 nan 0.000 0.474 531 Q N 7.060 126.865 119.800 0.008 0.000 2.571 531 Q HA 0.391 4.731 4.340 -0.000 0.000 0.243 531 Q C -2.241 173.751 176.000 -0.013 0.000 1.055 531 Q CA -1.728 54.069 55.803 -0.009 0.000 0.815 531 Q CB 1.014 29.735 28.738 -0.028 0.000 1.151 531 Q HN 0.548 nan 8.270 nan 0.000 0.519 532 P HA 0.065 nan 4.420 nan 0.000 0.277 532 P C -0.609 176.681 177.300 -0.016 0.000 1.240 532 P CA -0.498 62.602 63.100 0.000 0.000 0.798 532 P CB 0.895 32.606 31.700 0.018 0.000 0.979 533 N N 2.418 121.107 118.700 -0.018 0.000 2.739 533 N HA 0.132 4.872 4.740 -0.000 0.000 0.266 533 N C -0.556 174.948 175.510 -0.009 0.000 1.168 533 N CA -0.184 52.851 53.050 -0.025 0.000 1.055 533 N CB -1.011 37.463 38.487 -0.022 0.000 1.393 533 N HN 0.418 nan 8.380 nan 0.000 0.514 534 I N 2.210 122.779 120.570 -0.002 0.000 2.392 534 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 534 I C -0.349 175.780 176.117 0.019 0.000 0.985 534 I CA -0.331 60.979 61.300 0.016 0.000 1.221 534 I CB 1.127 39.149 38.000 0.038 0.000 1.366 534 I HN 0.483 nan 8.210 nan 0.000 0.467 535 T N 3.918 118.484 114.554 0.019 0.000 2.906 535 T HA 0.682 5.032 4.350 -0.000 0.000 0.295 535 T C -0.944 173.771 174.700 0.025 0.000 1.061 535 T CA -0.718 61.393 62.100 0.019 0.000 1.000 535 T CB 1.816 70.689 68.868 0.009 0.000 1.103 535 T HN 0.284 nan 8.240 nan 0.000 0.486 536 V N 1.975 121.907 119.914 0.029 0.000 2.531 536 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 536 V C -0.368 175.753 176.094 0.044 0.000 1.034 536 V CA -0.892 61.435 62.300 0.045 0.000 0.865 536 V CB 1.741 33.597 31.823 0.054 0.000 0.995 536 V HN 1.062 nan 8.190 nan 0.000 0.424 537 D N 3.471 123.902 120.400 0.053 0.000 2.343 537 D HA 0.241 4.881 4.640 -0.000 0.000 0.255 537 D C 1.092 177.434 176.300 0.070 0.000 1.187 537 D CA 0.401 54.420 54.000 0.032 0.000 0.875 537 D CB 2.110 42.913 40.800 0.006 0.000 1.136 537 D HN 0.668 nan 8.370 nan 0.000 0.469 538 A N 4.259 127.101 122.820 0.035 0.000 1.986 538 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 538 A C 1.906 179.522 177.584 0.053 0.000 1.171 538 A CA 1.630 53.703 52.037 0.059 0.000 0.640 538 A CB -0.104 18.883 19.000 -0.022 0.000 0.811 538 A HN 0.674 nan 8.150 nan 0.000 0.451 539 Q N -1.285 118.477 119.800 -0.064 0.000 2.178 539 Q HA -0.012 4.328 4.340 -0.000 0.000 0.195 539 Q C 2.192 177.919 176.000 -0.455 0.000 0.960 539 Q CA 1.653 57.341 55.803 -0.192 0.000 0.843 539 Q CB -0.251 28.412 28.738 -0.126 0.000 0.927 539 Q HN 0.762 nan 8.270 nan 0.000 0.487 540 T N -3.181 111.187 114.554 -0.310 0.000 3.067 540 T HA -0.015 4.335 4.350 -0.000 0.000 0.257 540 T C -0.126 174.420 174.700 -0.257 0.000 1.105 540 T CA 0.148 62.052 62.100 -0.327 0.000 1.104 540 T CB -0.003 68.782 68.868 -0.138 0.000 0.925 540 T HN 0.273 nan 8.240 nan 0.000 0.498 541 Y N 0.449 120.739 120.300 -0.017 0.000 4.907 541 Y HA -0.186 4.364 4.550 -0.000 0.000 0.246 541 Y C 0.245 176.130 175.900 -0.024 0.000 0.968 541 Y CA -0.328 57.761 58.100 -0.019 0.000 1.961 541 Y CB -2.918 35.529 38.460 -0.022 0.000 1.487 541 Y HN 0.504 nan 8.280 nan 0.000 0.575 542 E N 0.545 120.801 120.200 0.092 0.000 2.376 542 E HA 0.343 4.692 4.350 -0.000 0.000 0.266 542 E C 0.006 176.630 176.600 0.040 0.000 1.009 542 E CA -0.096 56.332 56.400 0.046 0.000 0.902 542 E CB 1.094 30.802 29.700 0.014 0.000 0.972 542 E HN 0.034 nan 8.360 nan 0.000 0.439 543 V N 4.761 124.689 119.914 0.023 0.000 2.439 543 V HA 0.352 4.472 4.120 -0.000 0.000 0.282 543 V C 0.167 176.266 176.094 0.008 0.000 1.039 543 V CA -0.386 61.923 62.300 0.015 0.000 0.913 543 V CB 1.072 32.895 31.823 -0.000 0.000 0.983 543 V HN 0.613 nan 8.190 nan 0.000 0.460 544 R N 2.969 123.475 120.500 0.010 0.000 2.686 544 R HA 0.778 5.118 4.340 -0.000 0.000 0.283 544 R C -1.713 174.591 176.300 0.007 0.000 0.978 544 R CA -0.748 55.356 56.100 0.007 0.000 0.897 544 R CB 2.667 32.970 30.300 0.005 0.000 1.192 544 R HN 0.484 nan 8.270 nan 0.000 0.457 545 V N 2.977 122.894 119.914 0.005 0.000 2.444 545 V HA 0.166 4.286 4.120 -0.000 0.000 0.294 545 V C -0.337 175.758 176.094 0.003 0.000 1.022 545 V CA -0.539 61.764 62.300 0.005 0.000 0.850 545 V CB 1.562 33.389 31.823 0.007 0.000 0.992 545 V HN 0.871 nan 8.190 nan 0.000 0.426 546 D N 4.370 124.770 120.400 -0.000 0.000 2.837 546 D HA -0.213 4.427 4.640 -0.000 0.000 0.230 546 D C 1.356 177.656 176.300 -0.001 0.000 1.152 546 D CA 1.694 55.693 54.000 -0.002 0.000 0.736 546 D CB -1.025 39.774 40.800 -0.001 0.000 1.084 546 D HN 1.376 nan 8.370 nan 0.000 0.429 547 G N -0.002 108.797 108.800 -0.000 0.000 2.304 547 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.252 547 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.252 547 G C 0.160 175.061 174.900 0.001 0.000 1.014 547 G CA 0.784 45.884 45.100 -0.000 0.000 0.619 547 G HN 0.712 nan 8.290 nan 0.000 0.525 548 E N 1.039 121.240 120.200 0.002 0.000 2.313 548 E HA 0.564 4.914 4.350 -0.000 0.000 0.276 548 E C 0.111 176.713 176.600 0.004 0.000 1.031 548 E CA -1.009 55.393 56.400 0.004 0.000 0.857 548 E CB 1.615 31.318 29.700 0.005 0.000 1.040 548 E HN 0.400 nan 8.360 nan 0.000 0.408 549 L N 4.321 125.547 121.223 0.005 0.000 2.410 549 L HA 0.181 4.521 4.340 -0.000 0.000 0.273 549 L C -0.817 176.057 176.870 0.005 0.000 1.152 549 L CA -0.105 54.738 54.840 0.005 0.000 0.855 549 L CB 0.494 42.556 42.059 0.006 0.000 1.129 549 L HN 0.573 nan 8.230 nan 0.000 0.463 550 I N 5.158 125.729 120.570 0.001 0.000 2.354 550 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 550 I C 0.314 176.427 176.117 -0.006 0.000 0.989 550 I CA -0.087 61.211 61.300 -0.003 0.000 1.188 550 I CB 0.809 38.801 38.000 -0.013 0.000 1.342 550 I HN 0.708 nan 8.210 nan 0.000 0.457 551 T N 3.993 118.550 114.554 0.005 0.000 2.718 551 T HA 0.676 5.026 4.350 -0.000 0.000 0.306 551 T C -1.173 173.553 174.700 0.044 0.000 1.485 551 T CA -0.292 61.816 62.100 0.013 0.000 0.997 551 T CB 1.478 70.360 68.868 0.023 0.000 1.504 551 T HN 0.821 nan 8.240 nan 0.000 0.497 552 S N 0.850 116.603 115.700 0.089 0.000 2.643 552 S HA 0.751 5.221 4.470 -0.000 0.000 0.270 552 S C -1.862 172.865 174.600 0.212 0.000 1.166 552 S CA -0.961 57.317 58.200 0.130 0.000 0.815 552 S CB 1.883 65.164 63.200 0.135 0.000 1.139 552 S HN 0.641 nan 8.310 nan 0.000 0.472 553 E N 1.855 122.137 120.200 0.138 0.000 2.204 553 E HA 0.514 4.864 4.350 -0.000 0.000 0.276 553 E C -2.599 173.943 176.600 -0.098 0.000 0.974 553 E CA -2.242 54.194 56.400 0.059 0.000 0.815 553 E CB 1.512 31.220 29.700 0.012 0.000 1.119 553 E HN 0.505 nan 8.360 nan 0.000 0.393 554 P HA 0.135 nan 4.420 nan 0.000 0.276 554 P C -0.842 176.276 177.300 -0.303 0.000 1.230 554 P CA -0.256 62.396 63.100 -0.747 0.000 0.776 554 P CB 0.848 31.912 31.700 -1.059 0.000 0.888 555 A N 3.337 126.037 122.820 -0.200 0.000 2.388 555 A HA 0.215 4.535 4.320 -0.000 0.000 0.257 555 A C 1.257 178.795 177.584 -0.077 0.000 1.095 555 A CA -0.390 51.597 52.037 -0.082 0.000 0.791 555 A CB 0.085 19.075 19.000 -0.016 0.000 1.029 555 A HN 0.660 nan 8.150 nan 0.000 0.489 556 D N 0.818 121.192 120.400 -0.043 0.000 2.277 556 D HA 0.074 4.714 4.640 -0.000 0.000 0.209 556 D C 0.125 176.417 176.300 -0.012 0.000 0.970 556 D CA 0.620 54.600 54.000 -0.032 0.000 0.874 556 D CB 0.011 40.796 40.800 -0.025 0.000 0.982 556 D HN 0.204 nan 8.370 nan 0.000 0.504 557 V N 0.823 120.738 119.914 0.001 0.000 2.888 557 V HA 0.425 4.545 4.120 -0.000 0.000 0.309 557 V C -0.621 175.484 176.094 0.018 0.000 1.114 557 V CA -0.882 61.424 62.300 0.010 0.000 0.940 557 V CB 2.729 34.559 31.823 0.011 0.000 1.021 557 V HN 0.062 nan 8.190 nan 0.000 0.426 558 L N 4.091 125.319 121.223 0.008 0.000 2.354 558 L HA 0.655 4.995 4.340 -0.000 0.000 0.264 558 L C -2.473 174.367 176.870 -0.050 0.000 1.008 558 L CA -1.737 53.094 54.840 -0.015 0.000 0.819 558 L CB 2.873 44.935 42.059 0.005 0.000 1.339 558 L HN 0.461 nan 8.230 nan 0.000 0.420 559 P HA 0.349 nan 4.420 nan 0.000 0.279 559 P C -0.274 177.026 177.300 0.001 0.000 1.282 559 P CA -0.549 62.472 63.100 -0.132 0.000 0.788 559 P CB 0.380 31.867 31.700 -0.354 0.000 1.139 560 M N -2.724 116.939 119.600 0.104 0.000 2.393 560 M HA -0.286 4.194 4.480 -0.000 0.000 0.201 560 M C 0.264 176.728 176.300 0.272 0.000 0.403 560 M CA 0.791 56.149 55.300 0.096 0.000 0.471 560 M CB -2.194 30.382 32.600 -0.040 0.000 1.669 560 M HN 0.483 nan 8.290 nan 0.000 0.864 561 A N -0.231 122.787 122.820 0.330 0.000 2.751 561 A HA 0.299 4.619 4.320 -0.000 0.000 0.201 561 A C 1.097 178.904 177.584 0.372 0.000 1.619 561 A CA 0.235 52.464 52.037 0.320 0.000 1.607 561 A CB 0.025 19.112 19.000 0.146 0.000 1.580 561 A HN 0.452 nan 8.150 nan 0.000 0.499 562 Q N -0.240 119.677 119.800 0.195 0.000 2.368 562 Q HA -0.127 4.213 4.340 -0.000 0.000 0.210 562 Q C 1.923 177.952 176.000 0.048 0.000 0.982 562 Q CA 1.338 57.221 55.803 0.132 0.000 0.884 562 Q CB -0.111 28.664 28.738 0.062 0.000 0.933 562 Q HN 0.544 nan 8.270 nan 0.000 0.460 563 R N -0.535 119.949 120.500 -0.028 0.000 2.236 563 R HA -0.102 4.238 4.340 -0.000 0.000 0.208 563 R C 0.725 176.754 176.300 -0.451 0.000 1.036 563 R CA 0.962 56.886 56.100 -0.292 0.000 1.001 563 R CB 0.289 30.299 30.300 -0.484 0.000 0.896 563 R HN 0.273 nan 8.270 nan 0.000 0.464 564 Y N -1.895 118.349 120.300 -0.093 0.000 2.535 564 Y HA 0.261 4.811 4.550 -0.000 0.000 0.264 564 Y C -0.057 175.588 175.900 -0.425 0.000 1.087 564 Y CA -0.482 57.458 58.100 -0.267 0.000 1.285 564 Y CB 0.493 38.678 38.460 -0.459 0.000 1.200 564 Y HN -0.169 nan 8.280 nan 0.000 0.514 565 F N 0.119 120.187 119.950 0.197 0.000 2.421 565 F HA 0.264 4.791 4.527 -0.000 0.000 0.337 565 F C 0.855 176.678 175.800 0.038 0.000 1.105 565 F CA -0.812 57.268 58.000 0.133 0.000 1.049 565 F CB 1.374 40.453 39.000 0.133 0.000 1.139 565 F HN -0.190 nan 8.300 nan 0.000 0.479 566 L N 2.326 123.654 121.223 0.175 0.000 2.217 566 L HA 0.159 4.499 4.340 -0.000 0.000 0.211 566 L C -0.483 176.176 176.870 -0.351 0.000 1.107 566 L CA 1.741 56.518 54.840 -0.105 0.000 0.783 566 L CB -0.405 41.589 42.059 -0.107 0.000 0.919 566 L HN 0.454 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.041 119.950 0.151 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.052 58.000 0.087 0.000 1.383 567 F CB 0.000 39.032 39.000 0.053 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574