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 3p9q_1_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 28 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 29 L N 0.818 121.999 121.223 -0.071 0.000 2.446 29 L HA 0.301 4.655 4.340 0.023 0.000 0.219 29 L C 1.452 178.244 176.870 -0.131 0.000 1.116 29 L CA 0.331 55.124 54.840 -0.079 0.000 0.844 29 L CB -0.332 41.691 42.059 -0.061 0.000 0.970 29 L HN 0.717 nan 8.230 nan 0.000 0.457 30 A N 1.616 124.306 122.820 -0.217 0.000 2.425 30 A HA 0.339 4.673 4.320 0.023 0.000 0.242 30 A C -1.941 175.486 177.584 -0.261 0.000 1.077 30 A CA -0.904 50.873 52.037 -0.434 0.000 0.781 30 A CB -0.565 17.924 19.000 -0.852 0.000 1.020 30 A HN 0.003 nan 8.150 nan 0.000 0.494 31 P HA 0.102 nan 4.420 nan 0.000 0.269 31 P C 0.063 177.344 177.300 -0.033 0.000 1.209 31 P CA 0.046 63.110 63.100 -0.061 0.000 0.776 31 P CB 0.791 32.496 31.700 0.009 0.000 0.876 32 E N 0.965 121.157 120.200 -0.013 0.000 2.204 32 E HA -0.213 4.151 4.350 0.023 0.000 0.195 32 E C 1.175 177.796 176.600 0.035 0.000 0.990 32 E CA 1.548 57.951 56.400 0.006 0.000 0.821 32 E CB -0.129 29.572 29.700 0.001 0.000 0.750 32 E HN 0.581 nan 8.360 nan 0.000 0.477 33 D N -1.192 119.234 120.400 0.044 0.000 2.363 33 D HA -0.016 4.638 4.640 0.023 0.000 0.226 33 D C 1.213 177.563 176.300 0.083 0.000 1.020 33 D CA 0.815 54.846 54.000 0.051 0.000 0.892 33 D CB -0.185 40.638 40.800 0.038 0.000 0.900 33 D HN 0.178 nan 8.370 nan 0.000 0.531 34 G N 0.249 109.143 108.800 0.156 0.000 2.153 34 G HA2 -0.345 3.629 3.960 0.023 0.000 0.252 34 G HA3 -0.345 3.629 3.960 0.023 0.000 0.252 34 G C 0.970 175.951 174.900 0.135 0.000 0.994 34 G CA 0.840 46.071 45.100 0.218 0.000 0.698 34 G HN 0.718 nan 8.290 nan 0.000 0.521 35 S N 0.319 116.124 115.700 0.174 0.000 2.603 35 S HA 0.021 4.505 4.470 0.023 0.000 0.220 35 S C 1.874 176.528 174.600 0.090 0.000 0.967 35 S CA 0.983 59.233 58.200 0.084 0.000 0.920 35 S CB -0.458 62.782 63.200 0.066 0.000 0.773 35 S HN 0.910 nan 8.310 nan 0.000 0.529 36 H N 1.015 120.092 119.070 0.012 0.000 2.502 36 H HA 0.257 4.827 4.556 0.023 0.000 0.283 36 H C 0.832 176.172 175.328 0.020 0.000 1.015 36 H CA 0.353 56.409 56.048 0.013 0.000 1.298 36 H CB -0.304 29.465 29.762 0.011 0.000 1.411 36 H HN 0.371 nan 8.280 nan 0.000 0.556 37 R N 2.928 123.116 120.500 -0.520 0.000 2.338 37 R HA 0.344 4.698 4.340 0.023 0.000 0.317 37 R C -2.649 173.561 176.300 -0.149 0.000 0.968 37 R CA -2.279 53.599 56.100 -0.369 0.000 0.849 37 R CB 0.884 30.870 30.300 -0.522 0.000 1.128 37 R HN 0.076 nan 8.270 nan 0.000 0.448 38 P HA 0.173 nan 4.420 nan 0.000 0.275 38 P C -0.863 176.428 177.300 -0.014 0.000 1.228 38 P CA -0.445 62.644 63.100 -0.019 0.000 0.786 38 P CB 1.091 32.804 31.700 0.023 0.000 0.927 39 A N 2.648 125.466 122.820 -0.004 0.000 2.540 39 A HA 0.349 4.683 4.320 0.023 0.000 0.239 39 A C 1.025 178.619 177.584 0.017 0.000 1.061 39 A CA 0.130 52.169 52.037 0.002 0.000 0.758 39 A CB -0.436 18.567 19.000 0.006 0.000 0.991 39 A HN 0.588 nan 8.150 nan 0.000 0.502 40 A N 3.077 125.907 122.820 0.016 0.000 3.135 40 A HA 0.489 4.823 4.320 0.023 0.000 0.253 40 A C 0.375 177.977 177.584 0.030 0.000 1.638 40 A CA 0.163 52.216 52.037 0.027 0.000 1.295 40 A CB -0.869 18.144 19.000 0.021 0.000 1.106 40 A HN 0.890 nan 8.150 nan 0.000 0.648 41 E N -0.688 119.532 120.200 0.033 0.000 2.412 41 E HA 0.554 4.918 4.350 0.023 0.000 0.279 41 E C -3.295 173.326 176.600 0.036 0.000 0.984 41 E CA -2.537 53.883 56.400 0.034 0.000 0.788 41 E CB 0.889 30.604 29.700 0.024 0.000 1.277 41 E HN 0.047 nan 8.360 nan 0.000 0.455 42 P HA 0.126 nan 4.420 nan 0.000 0.271 42 P C -0.882 176.426 177.300 0.013 0.000 1.216 42 P CA 0.173 63.287 63.100 0.022 0.000 0.771 42 P CB 0.729 32.428 31.700 -0.000 0.000 0.864 43 T N 0.268 114.826 114.554 0.008 0.000 2.916 43 T HA 0.610 4.974 4.350 0.023 0.000 0.305 43 T C -3.018 171.661 174.700 -0.034 0.000 1.119 43 T CA -2.471 59.629 62.100 0.001 0.000 1.008 43 T CB 1.732 70.605 68.868 0.010 0.000 1.129 43 T HN 0.086 nan 8.240 nan 0.000 0.480 44 P HA 0.379 nan 4.420 nan 0.000 0.274 44 P C -2.764 174.407 177.300 -0.215 0.000 1.246 44 P CA -1.576 61.396 63.100 -0.214 0.000 0.795 44 P CB -0.853 30.798 31.700 -0.081 0.000 1.006 45 P HA 0.013 nan 4.420 nan 0.000 0.264 45 P C 1.144 178.397 177.300 -0.078 0.000 1.183 45 P CA 1.464 64.466 63.100 -0.164 0.000 0.763 45 P CB -0.253 31.338 31.700 -0.182 0.000 0.807 46 G N 2.463 111.246 108.800 -0.027 0.000 2.245 46 G HA2 -0.384 3.591 3.960 0.023 0.000 0.264 46 G HA3 -0.384 3.591 3.960 0.023 0.000 0.264 46 G C 1.209 176.108 174.900 -0.002 0.000 0.985 46 G CA 0.547 45.644 45.100 -0.005 0.000 0.625 46 G HN 0.693 nan 8.290 nan 0.000 0.536 47 A N -0.990 121.825 122.820 -0.009 0.000 2.015 47 A HA 0.374 4.708 4.320 0.023 0.000 0.219 47 A C 1.343 178.931 177.584 0.007 0.000 1.163 47 A CA 2.055 54.093 52.037 0.000 0.000 0.646 47 A CB 0.005 19.004 19.000 -0.002 0.000 0.806 47 A HN 0.569 nan 8.150 nan 0.000 0.448 48 Q N -1.094 118.713 119.800 0.012 0.000 2.456 48 Q HA 0.408 4.762 4.340 0.023 0.000 0.284 48 Q C -2.968 173.047 176.000 0.026 0.000 1.061 48 Q CA -2.076 53.738 55.803 0.018 0.000 0.799 48 Q CB 1.235 29.987 28.738 0.023 0.000 1.445 48 Q HN 0.057 nan 8.270 nan 0.000 0.411 49 P HA 0.014 nan 4.420 nan 0.000 0.268 49 P C -0.254 177.078 177.300 0.053 0.000 1.205 49 P CA 0.082 63.197 63.100 0.025 0.000 0.771 49 P CB 0.219 31.931 31.700 0.021 0.000 0.858 50 T N -0.305 114.281 114.554 0.053 0.000 2.860 50 T HA 0.573 4.937 4.350 0.023 0.000 0.299 50 T C 0.034 174.819 174.700 0.143 0.000 1.045 50 T CA -0.468 61.712 62.100 0.134 0.000 1.071 50 T CB 0.608 69.502 68.868 0.044 0.000 0.985 50 T HN 0.560 nan 8.240 nan 0.000 0.537 51 A N 2.099 125.105 122.820 0.310 0.000 2.569 51 A HA 0.801 5.135 4.320 0.023 0.000 0.290 51 A C -3.006 174.845 177.584 0.446 0.000 1.136 51 A CA -2.141 50.057 52.037 0.268 0.000 0.710 51 A CB 0.643 19.750 19.000 0.178 0.000 1.303 51 A HN 0.664 nan 8.150 nan 0.000 0.413 52 P HA 0.128 nan 4.420 nan 0.000 0.264 52 P C 1.197 178.649 177.300 0.255 0.000 1.183 52 P CA 0.906 64.221 63.100 0.359 0.000 0.763 52 P CB 0.575 32.408 31.700 0.222 0.000 0.807 53 G N 2.502 111.414 108.800 0.188 0.000 2.469 53 G HA2 -0.304 3.670 3.960 0.023 0.000 0.219 53 G HA3 -0.304 3.670 3.960 0.023 0.000 0.219 53 G C 1.552 176.472 174.900 0.033 0.000 1.150 53 G CA 1.151 46.273 45.100 0.036 0.000 0.763 53 G HN 0.588 nan 8.290 nan 0.000 0.561 54 S N -0.002 115.721 115.700 0.039 0.000 2.481 54 S HA 0.139 4.623 4.470 0.023 0.000 0.231 54 S C 2.199 176.820 174.600 0.035 0.000 0.996 54 S CA 0.789 58.997 58.200 0.014 0.000 0.942 54 S CB -0.166 63.036 63.200 0.003 0.000 0.768 54 S HN 0.321 nan 8.310 nan 0.000 0.520 55 L N -0.174 121.087 121.223 0.063 0.000 2.298 55 L HA 0.274 4.628 4.340 0.023 0.000 0.209 55 L C 2.637 179.542 176.870 0.059 0.000 1.084 55 L CA 0.768 55.644 54.840 0.060 0.000 0.816 55 L CB -0.306 41.797 42.059 0.074 0.000 0.967 55 L HN 0.253 nan 8.230 nan 0.000 0.460 56 K N 1.459 121.905 120.400 0.077 0.000 2.116 56 K HA 0.059 4.393 4.320 0.023 0.000 0.203 56 K C 0.755 177.387 176.600 0.053 0.000 1.052 56 K CA 1.234 57.566 56.287 0.074 0.000 0.952 56 K CB 0.174 32.737 32.500 0.104 0.000 0.729 56 K HN 0.128 nan 8.250 nan 0.000 0.446 57 A N 0.808 123.651 122.820 0.039 0.000 3.355 57 A HA 0.352 4.686 4.320 0.023 0.000 0.290 57 A C -2.199 175.392 177.584 0.012 0.000 0.973 57 A CA -0.976 51.081 52.037 0.033 0.000 0.933 57 A CB 0.558 19.582 19.000 0.040 0.000 1.138 57 A HN 0.144 nan 8.150 nan 0.000 0.490 58 P HA -0.121 nan 4.420 nan 0.000 0.222 58 P C 0.108 177.403 177.300 -0.010 0.000 1.147 58 P CA 1.227 64.327 63.100 0.000 0.000 0.790 58 P CB 0.314 32.019 31.700 0.007 0.000 0.780 59 D N -1.121 119.278 120.400 -0.002 0.000 2.349 59 D HA 0.030 4.684 4.640 0.023 0.000 0.214 59 D C 0.199 176.488 176.300 -0.019 0.000 1.063 59 D CA 0.491 54.486 54.000 -0.008 0.000 0.847 59 D CB -0.267 40.535 40.800 0.003 0.000 0.933 59 D HN 0.097 nan 8.370 nan 0.000 0.513 60 T N 2.654 117.194 114.554 -0.023 0.000 2.729 60 T HA 0.313 4.677 4.350 0.023 0.000 0.296 60 T C 0.354 175.009 174.700 -0.074 0.000 0.928 60 T CA -0.434 61.638 62.100 -0.046 0.000 1.045 60 T CB 0.980 69.820 68.868 -0.047 0.000 0.902 60 T HN -0.173 nan 8.240 nan 0.000 0.500 61 R N 3.134 123.583 120.500 -0.085 0.000 2.795 61 R HA 0.646 5.000 4.340 0.023 0.000 0.275 61 R C -0.426 175.813 176.300 -0.102 0.000 0.981 61 R CA -1.075 54.969 56.100 -0.093 0.000 0.917 61 R CB 1.676 31.929 30.300 -0.078 0.000 1.202 61 R HN 0.822 nan 8.270 nan 0.000 0.469 62 N N -2.228 116.415 118.700 -0.096 0.000 2.934 62 N HA 0.093 4.847 4.740 0.023 0.000 0.253 62 N C 0.252 175.717 175.510 -0.076 0.000 1.466 62 N CA -0.811 52.196 53.050 -0.073 0.000 0.858 62 N CB 0.885 39.360 38.487 -0.020 0.000 1.459 62 N HN 0.547 nan 8.380 nan 0.000 0.532 63 E N -0.288 119.882 120.200 -0.050 0.000 2.110 63 E HA -0.260 4.104 4.350 0.023 0.000 0.193 63 E C 1.052 177.582 176.600 -0.117 0.000 0.988 63 E CA 1.369 57.734 56.400 -0.058 0.000 0.804 63 E CB 0.093 29.785 29.700 -0.014 0.000 0.745 63 E HN 0.510 nan 8.360 nan 0.000 0.458 64 K N 0.729 121.024 120.400 -0.175 0.000 2.025 64 K HA -0.080 4.254 4.320 0.023 0.000 0.207 64 K C 2.102 178.539 176.600 -0.272 0.000 1.049 64 K CA 1.078 57.165 56.287 -0.334 0.000 0.933 64 K CB -0.406 31.706 32.500 -0.648 0.000 0.714 64 K HN 0.164 nan 8.250 nan 0.000 0.438 65 L N 0.917 121.996 121.223 -0.240 0.000 2.042 65 L HA -0.236 4.118 4.340 0.023 0.000 0.210 65 L C 1.872 178.630 176.870 -0.187 0.000 1.076 65 L CA 1.346 56.021 54.840 -0.276 0.000 0.749 65 L CB -0.613 41.279 42.059 -0.278 0.000 0.893 65 L HN 0.284 nan 8.230 nan 0.000 0.432 66 N N -0.352 118.263 118.700 -0.142 0.000 2.166 66 N HA -0.161 4.593 4.740 0.023 0.000 0.186 66 N C 2.053 177.504 175.510 -0.098 0.000 1.019 66 N CA 1.676 54.664 53.050 -0.103 0.000 0.856 66 N CB -0.421 38.018 38.487 -0.079 0.000 0.993 66 N HN 0.370 nan 8.380 nan 0.000 0.426 67 S N 0.220 115.851 115.700 -0.116 0.000 2.474 67 S HA 0.037 4.521 4.470 0.023 0.000 0.235 67 S C 1.726 176.263 174.600 -0.105 0.000 0.997 67 S CA 0.376 58.515 58.200 -0.102 0.000 0.949 67 S CB -0.395 62.735 63.200 -0.117 0.000 0.766 67 S HN 0.249 nan 8.310 nan 0.000 0.517 68 L N 0.728 121.875 121.223 -0.127 0.000 2.591 68 L HA 0.236 4.590 4.340 0.023 0.000 0.228 68 L C 2.537 179.360 176.870 -0.078 0.000 1.133 68 L CA 0.408 55.183 54.840 -0.110 0.000 0.880 68 L CB -0.353 41.623 42.059 -0.138 0.000 1.033 68 L HN 0.269 nan 8.230 nan 0.000 0.450 69 E N 1.246 121.404 120.200 -0.071 0.000 2.160 69 E HA -0.267 4.097 4.350 0.023 0.000 0.195 69 E C 1.711 178.290 176.600 -0.035 0.000 0.991 69 E CA 1.620 57.991 56.400 -0.048 0.000 0.810 69 E CB -0.055 29.619 29.700 -0.043 0.000 0.742 69 E HN 0.569 nan 8.360 nan 0.000 0.466 70 D N -0.515 119.863 120.400 -0.037 0.000 2.309 70 D HA -0.137 4.517 4.640 0.023 0.000 0.212 70 D C 1.536 177.821 176.300 -0.024 0.000 0.968 70 D CA 1.520 55.504 54.000 -0.028 0.000 0.882 70 D CB -0.176 40.607 40.800 -0.028 0.000 0.918 70 D HN 0.316 nan 8.370 nan 0.000 0.503 71 V N -3.716 116.181 119.914 -0.027 0.000 3.477 71 V HA 0.334 4.468 4.120 0.023 0.000 0.297 71 V C 0.833 176.920 176.094 -0.012 0.000 1.433 71 V CA -0.726 61.563 62.300 -0.018 0.000 1.052 71 V CB -0.425 31.388 31.823 -0.018 0.000 0.895 71 V HN -0.165 nan 8.190 nan 0.000 0.438 72 R N 2.112 122.603 120.500 -0.015 0.000 2.489 72 R HA 0.405 4.759 4.340 0.023 0.000 0.287 72 R C -0.209 176.090 176.300 -0.002 0.000 1.053 72 R CA 0.132 56.230 56.100 -0.003 0.000 1.036 72 R CB 0.735 31.032 30.300 -0.004 0.000 0.966 72 R HN 0.373 nan 8.270 nan 0.000 0.432 73 K N 1.249 121.651 120.400 0.003 0.000 2.292 73 K HA 0.338 4.672 4.320 0.023 0.000 0.257 73 K C 0.032 176.640 176.600 0.014 0.000 0.940 73 K CA -0.431 55.844 56.287 -0.020 0.000 0.811 73 K CB 1.762 34.239 32.500 -0.038 0.000 1.120 73 K HN 0.702 nan 8.250 nan 0.000 0.428 74 G N 0.447 109.269 108.800 0.036 0.000 2.582 74 G HA2 0.256 4.230 3.960 0.023 0.000 0.232 74 G HA3 0.256 4.230 3.960 0.023 0.000 0.232 74 G C 0.263 175.254 174.900 0.152 0.000 1.458 74 G CA 0.272 45.447 45.100 0.124 0.000 1.062 74 G HN 0.728 nan 8.290 nan 0.000 0.566 75 S N -2.649 113.228 115.700 0.295 0.000 2.323 75 S HA 0.103 4.587 4.470 0.023 0.000 0.233 75 S C 0.189 174.962 174.600 0.288 0.000 0.898 75 S CA -0.144 58.230 58.200 0.290 0.000 1.321 75 S CB 0.002 63.286 63.200 0.141 0.000 0.921 75 S HN 0.497 nan 8.310 nan 0.000 0.398 76 E N 3.149 123.443 120.200 0.157 0.000 2.465 76 E HA 0.270 4.634 4.350 0.023 0.000 0.260 76 E C -0.199 176.326 176.600 -0.126 0.000 0.980 76 E CA 0.288 56.708 56.400 0.032 0.000 0.927 76 E CB 0.043 29.751 29.700 0.014 0.000 0.934 76 E HN 0.395 nan 8.360 nan 0.000 0.459 77 N N 0.592 119.229 118.700 -0.106 0.000 2.909 77 N HA -0.215 4.539 4.740 0.023 0.000 0.242 77 N C -1.069 174.307 175.510 -0.223 0.000 0.975 77 N CA 1.159 54.100 53.050 -0.182 0.000 0.921 77 N CB -1.362 36.974 38.487 -0.252 0.000 1.112 77 N HN 0.388 nan 8.380 nan 0.000 0.581 78 Y N 0.756 121.063 120.300 0.011 0.000 2.352 78 Y HA 0.629 5.194 4.550 0.025 0.000 0.326 78 Y C 0.981 176.885 175.900 0.007 0.000 1.166 78 Y CA -0.526 57.580 58.100 0.009 0.000 1.182 78 Y CB 1.033 39.499 38.460 0.010 0.000 1.216 78 Y HN 0.132 nan 8.280 nan 0.000 0.474 79 A N 2.756 125.690 122.820 0.189 0.000 2.407 79 A HA 0.392 4.726 4.320 0.023 0.000 0.248 79 A C -0.702 176.932 177.584 0.084 0.000 1.082 79 A CA -0.491 51.607 52.037 0.102 0.000 0.785 79 A CB 0.077 19.124 19.000 0.078 0.000 1.020 79 A HN 0.706 nan 8.150 nan 0.000 0.489 80 L N 2.656 123.909 121.223 0.050 0.000 2.367 80 L HA 0.550 4.904 4.340 0.023 0.000 0.275 80 L C 0.631 177.512 176.870 0.018 0.000 1.129 80 L CA 1.127 55.984 54.840 0.027 0.000 0.839 80 L CB 0.648 42.714 42.059 0.012 0.000 1.133 80 L HN 0.928 nan 8.230 nan 0.000 0.453 81 T N 0.249 114.808 114.554 0.009 0.000 2.865 81 T HA 0.624 4.988 4.350 0.023 0.000 0.294 81 T C 0.119 174.823 174.700 0.007 0.000 1.119 81 T CA -0.196 61.912 62.100 0.013 0.000 1.007 81 T CB 1.003 69.882 68.868 0.017 0.000 1.225 81 T HN 0.837 nan 8.240 nan 0.000 0.515 82 T N 0.448 115.020 114.554 0.030 0.000 2.748 82 T HA 0.193 4.557 4.350 0.023 0.000 0.304 82 T C 1.034 175.753 174.700 0.033 0.000 1.041 82 T CA -0.435 61.692 62.100 0.045 0.000 1.033 82 T CB -0.057 68.880 68.868 0.115 0.000 0.995 82 T HN 0.573 nan 8.240 nan 0.000 0.536 83 N N 0.581 119.302 118.700 0.035 0.000 2.520 83 N HA -0.060 4.694 4.740 0.023 0.000 0.185 83 N C 1.444 176.974 175.510 0.034 0.000 1.068 83 N CA 0.507 53.570 53.050 0.021 0.000 0.911 83 N CB -0.130 38.377 38.487 0.034 0.000 0.961 83 N HN 0.571 nan 8.380 nan 0.000 0.446 84 Q N -0.429 119.404 119.800 0.055 0.000 2.320 84 Q HA 0.190 4.544 4.340 0.023 0.000 0.201 84 Q C 0.791 176.814 176.000 0.039 0.000 0.910 84 Q CA 0.072 55.902 55.803 0.046 0.000 0.946 84 Q CB 0.282 29.053 28.738 0.056 0.000 1.062 84 Q HN 0.377 nan 8.270 nan 0.000 0.503 85 G N 0.491 109.312 108.800 0.035 0.000 2.143 85 G HA2 -0.249 3.725 3.960 0.023 0.000 0.249 85 G HA3 -0.249 3.725 3.960 0.023 0.000 0.249 85 G C 0.138 175.065 174.900 0.044 0.000 0.981 85 G CA 0.206 45.322 45.100 0.027 0.000 0.665 85 G HN 0.245 nan 8.290 nan 0.000 0.528 86 V N 1.601 121.558 119.914 0.072 0.000 2.461 86 V HA 0.356 4.490 4.120 0.023 0.000 0.275 86 V C 1.300 177.436 176.094 0.070 0.000 1.047 86 V CA -0.593 61.761 62.300 0.090 0.000 0.955 86 V CB 1.164 33.087 31.823 0.166 0.000 0.988 86 V HN 0.393 nan 8.190 nan 0.000 0.471 87 R N 4.214 124.747 120.500 0.055 0.000 2.537 87 R HA 0.355 4.709 4.340 0.023 0.000 0.280 87 R C -0.503 175.813 176.300 0.026 0.000 1.058 87 R CA -0.100 56.023 56.100 0.038 0.000 1.057 87 R CB 0.559 30.881 30.300 0.037 0.000 0.973 87 R HN 0.580 nan 8.270 nan 0.000 0.438 88 I N 2.232 122.806 120.570 0.006 0.000 2.331 88 I HA 0.098 4.282 4.170 0.023 0.000 0.292 88 I C 1.000 177.107 176.117 -0.017 0.000 0.998 88 I CA 0.082 61.369 61.300 -0.022 0.000 1.267 88 I CB 1.844 39.820 38.000 -0.039 0.000 1.386 88 I HN 0.772 nan 8.210 nan 0.000 0.476 89 A N 4.231 127.037 122.820 -0.023 0.000 1.911 89 A HA 0.009 4.343 4.320 0.023 0.000 0.212 89 A C 0.687 178.255 177.584 -0.025 0.000 1.189 89 A CA 0.892 52.919 52.037 -0.017 0.000 0.639 89 A CB 0.065 19.058 19.000 -0.012 0.000 0.839 89 A HN 0.676 nan 8.150 nan 0.000 0.449 90 D N -0.502 119.874 120.400 -0.040 0.000 2.440 90 D HA 0.313 4.967 4.640 0.023 0.000 0.252 90 D C -1.292 174.976 176.300 -0.054 0.000 1.180 90 D CA -0.387 53.588 54.000 -0.041 0.000 0.894 90 D CB 1.101 41.877 40.800 -0.040 0.000 1.111 90 D HN 0.056 nan 8.370 nan 0.000 0.544 91 D N 2.043 122.414 120.400 -0.048 0.000 2.370 91 D HA 0.041 4.695 4.640 0.023 0.000 0.230 91 D C 0.597 176.865 176.300 -0.053 0.000 1.143 91 D CA 0.302 54.270 54.000 -0.055 0.000 0.834 91 D CB 0.480 41.253 40.800 -0.045 0.000 0.944 91 D HN 0.248 nan 8.370 nan 0.000 0.504 92 Q N -0.630 119.140 119.800 -0.050 0.000 2.246 92 Q HA 0.265 4.619 4.340 0.023 0.000 0.222 92 Q C -0.173 175.797 176.000 -0.050 0.000 0.851 92 Q CA 0.125 55.899 55.803 -0.048 0.000 0.945 92 Q CB 0.818 29.533 28.738 -0.038 0.000 1.122 92 Q HN 0.188 nan 8.270 nan 0.000 0.508 93 N N 0.003 118.671 118.700 -0.054 0.000 2.331 93 N HA 0.302 5.057 4.740 0.023 0.000 0.280 93 N C -1.046 174.428 175.510 -0.060 0.000 1.155 93 N CA -0.241 52.778 53.050 -0.051 0.000 0.822 93 N CB 2.148 40.610 38.487 -0.042 0.000 1.619 93 N HN -0.183 nan 8.380 nan 0.000 0.476 94 S N 0.746 116.413 115.700 -0.054 0.000 2.617 94 S HA 0.318 4.802 4.470 0.023 0.000 0.269 94 S C 0.120 174.693 174.600 -0.046 0.000 1.292 94 S CA -0.582 57.584 58.200 -0.056 0.000 1.010 94 S CB 0.837 64.011 63.200 -0.044 0.000 0.944 94 S HN 0.392 nan 8.310 nan 0.000 0.536 95 L N 3.545 124.739 121.223 -0.047 0.000 2.360 95 L HA 0.385 4.739 4.340 0.023 0.000 0.276 95 L C 0.115 176.975 176.870 -0.017 0.000 1.121 95 L CA 0.471 55.293 54.840 -0.031 0.000 0.845 95 L CB -0.125 41.918 42.059 -0.027 0.000 1.143 95 L HN 0.713 nan 8.230 nan 0.000 0.452 96 R N 4.202 124.695 120.500 -0.012 0.000 2.836 96 R HA 0.859 5.213 4.340 0.023 0.000 0.269 96 R C -1.145 175.154 176.300 -0.003 0.000 1.010 96 R CA -0.870 55.226 56.100 -0.007 0.000 0.930 96 R CB 1.145 31.439 30.300 -0.010 0.000 1.218 96 R HN 0.586 nan 8.270 nan 0.000 0.473 97 A N 1.331 124.151 122.820 0.000 0.000 2.666 97 A HA 0.589 4.923 4.320 0.023 0.000 0.312 97 A C 0.593 178.176 177.584 -0.000 0.000 1.471 97 A CA 0.271 52.309 52.037 0.002 0.000 1.134 97 A CB -0.827 18.176 19.000 0.004 0.000 1.129 97 A HN 1.215 nan 8.150 nan 0.000 0.539 98 G N 1.243 110.042 108.800 -0.002 0.000 2.705 98 G HA2 0.028 4.002 3.960 0.023 0.000 0.686 98 G HA3 0.028 4.002 3.960 0.023 0.000 0.686 98 G C 0.705 175.601 174.900 -0.006 0.000 1.285 98 G CA 0.145 45.243 45.100 -0.003 0.000 0.800 98 G HN 1.860 nan 8.290 nan 0.000 0.611 99 S N -0.151 115.545 115.700 -0.007 0.000 2.507 99 S HA -0.009 4.475 4.470 0.023 0.000 0.235 99 S C 1.525 176.119 174.600 -0.010 0.000 0.988 99 S CA 1.438 59.633 58.200 -0.010 0.000 0.944 99 S CB 0.055 63.249 63.200 -0.010 0.000 0.762 99 S HN 0.762 nan 8.310 nan 0.000 0.526 100 R N 0.833 121.328 120.500 -0.008 0.000 2.613 100 R HA 0.353 4.707 4.340 0.023 0.000 0.361 100 R C 0.845 177.141 176.300 -0.007 0.000 1.072 100 R CA 0.040 56.135 56.100 -0.008 0.000 1.089 100 R CB 0.836 31.132 30.300 -0.007 0.000 1.343 100 R HN 0.434 nan 8.270 nan 0.000 0.571 101 G N 1.600 110.396 108.800 -0.006 0.000 2.568 101 G HA2 0.418 4.392 3.960 0.023 0.000 0.293 101 G HA3 0.418 4.392 3.960 0.023 0.000 0.293 101 G C -2.444 172.453 174.900 -0.005 0.000 1.347 101 G CA -1.106 43.991 45.100 -0.004 0.000 1.039 101 G HN -0.106 nan 8.290 nan 0.000 0.523 102 P HA 0.258 nan 4.420 nan 0.000 0.282 102 P C -0.251 177.048 177.300 -0.002 0.000 1.249 102 P CA -0.129 62.970 63.100 -0.001 0.000 0.806 102 P CB 1.031 32.732 31.700 0.002 0.000 0.984 103 T N 2.517 117.070 114.554 -0.003 0.000 2.919 103 T HA 0.242 4.606 4.350 0.023 0.000 0.302 103 T C 0.515 175.218 174.700 0.005 0.000 1.031 103 T CA -0.059 62.039 62.100 -0.003 0.000 1.127 103 T CB -0.004 68.860 68.868 -0.007 0.000 0.952 103 T HN 0.181 nan 8.240 nan 0.000 0.540 104 L N 3.355 124.582 121.223 0.007 0.000 2.325 104 L HA 0.338 4.692 4.340 0.023 0.000 0.279 104 L C 1.336 178.223 176.870 0.028 0.000 1.054 104 L CA -0.764 54.087 54.840 0.018 0.000 0.804 104 L CB 0.965 43.037 42.059 0.022 0.000 1.200 104 L HN 0.515 nan 8.230 nan 0.000 0.436 105 L N 2.044 123.288 121.223 0.035 0.000 2.275 105 L HA -0.147 4.207 4.340 0.023 0.000 0.215 105 L C 2.222 179.134 176.870 0.069 0.000 1.119 105 L CA 1.470 56.337 54.840 0.046 0.000 0.790 105 L CB -0.515 41.568 42.059 0.040 0.000 0.919 105 L HN 0.776 nan 8.230 nan 0.000 0.443 106 E N -1.638 118.607 120.200 0.076 0.000 2.511 106 E HA -0.156 4.208 4.350 0.023 0.000 0.196 106 E C 0.162 176.869 176.600 0.178 0.000 1.066 106 E CA 0.121 56.595 56.400 0.124 0.000 0.871 106 E CB -0.477 29.289 29.700 0.109 0.000 0.863 106 E HN 0.346 nan 8.360 nan 0.000 0.520 107 D N 1.275 121.729 120.400 0.091 0.000 2.441 107 D HA -0.053 4.601 4.640 0.023 0.000 0.243 107 D C 0.385 176.698 176.300 0.023 0.000 1.257 107 D CA -0.417 53.587 54.000 0.007 0.000 1.027 107 D CB -0.123 40.651 40.800 -0.043 0.000 1.084 107 D HN 0.298 nan 8.370 nan 0.000 0.514 108 F N 1.992 121.950 119.950 0.014 0.000 2.456 108 F HA 0.129 4.666 4.527 0.017 0.000 0.298 108 F C 1.632 177.444 175.800 0.021 0.000 1.104 108 F CA 0.010 58.021 58.000 0.019 0.000 1.435 108 F CB -0.624 38.387 39.000 0.018 0.000 1.078 108 F HN 0.184 nan 8.300 nan 0.000 0.546 109 I N 0.312 120.457 120.570 -0.709 0.000 2.286 109 I HA -0.185 3.999 4.170 0.023 0.000 0.245 109 I C 2.464 178.472 176.117 -0.182 0.000 1.104 109 I CA 0.902 61.931 61.300 -0.451 0.000 1.397 109 I CB -0.469 37.194 38.000 -0.562 0.000 1.072 109 I HN 0.261 nan 8.210 nan 0.000 0.417 110 L N 1.186 122.313 121.223 -0.159 0.000 1.989 110 L HA -0.221 4.133 4.340 0.023 0.000 0.211 110 L C 2.638 179.498 176.870 -0.017 0.000 1.071 110 L CA 1.946 56.740 54.840 -0.076 0.000 0.749 110 L CB -0.549 41.470 42.059 -0.067 0.000 0.890 110 L HN 0.057 nan 8.230 nan 0.000 0.431 111 R N -0.745 119.765 120.500 0.015 0.000 2.115 111 R HA -0.160 4.194 4.340 0.023 0.000 0.230 111 R C 2.284 178.641 176.300 0.094 0.000 1.111 111 R CA 1.372 57.510 56.100 0.064 0.000 0.976 111 R CB -0.303 30.051 30.300 0.090 0.000 0.870 111 R HN 0.605 nan 8.270 nan 0.000 0.445 112 E N 1.211 121.470 120.200 0.098 0.000 2.072 112 E HA -0.220 4.144 4.350 0.023 0.000 0.191 112 E C 1.903 178.580 176.600 0.129 0.000 0.985 112 E CA 1.124 57.601 56.400 0.129 0.000 0.801 112 E CB 0.138 29.918 29.700 0.133 0.000 0.750 112 E HN 0.138 nan 8.360 nan 0.000 0.452 113 K N 0.340 120.784 120.400 0.075 0.000 2.026 113 K HA -0.133 4.201 4.320 0.023 0.000 0.208 113 K C 2.105 178.777 176.600 0.121 0.000 1.048 113 K CA 1.399 57.728 56.287 0.070 0.000 0.929 113 K CB -0.034 32.465 32.500 -0.003 0.000 0.713 113 K HN 0.154 nan 8.250 nan 0.000 0.439 114 I N 1.272 121.893 120.570 0.085 0.000 2.439 114 I HA -0.161 4.023 4.170 0.023 0.000 0.251 114 I C 2.058 178.286 176.117 0.184 0.000 1.139 114 I CA 1.238 62.607 61.300 0.115 0.000 1.438 114 I CB -1.297 36.732 38.000 0.049 0.000 1.085 114 I HN 0.241 nan 8.210 nan 0.000 0.427 115 T N -0.426 114.230 114.554 0.170 0.000 2.777 115 T HA -0.191 4.173 4.350 0.023 0.000 0.266 115 T C 1.959 176.798 174.700 0.232 0.000 1.040 115 T CA 1.222 63.443 62.100 0.201 0.000 1.141 115 T CB -0.360 68.636 68.868 0.212 0.000 0.868 115 T HN 0.339 nan 8.240 nan 0.000 0.444 116 H N -0.058 119.108 119.070 0.160 0.000 2.387 116 H HA -0.055 4.515 4.556 0.023 0.000 0.299 116 H C 2.167 177.554 175.328 0.098 0.000 1.090 116 H CA 1.410 57.539 56.048 0.134 0.000 1.332 116 H CB -0.363 29.458 29.762 0.099 0.000 1.386 116 H HN 0.403 nan 8.280 nan 0.000 0.516 117 F N 2.038 122.047 119.950 0.098 0.000 2.102 117 F HA -0.186 4.352 4.527 0.019 0.000 0.298 117 F C 1.925 177.667 175.800 -0.097 0.000 1.105 117 F CA 1.688 59.694 58.000 0.010 0.000 1.239 117 F CB -0.343 38.657 39.000 -0.000 0.000 0.991 117 F HN 0.031 nan 8.300 nan 0.000 0.474 118 D N -1.122 119.202 120.400 -0.127 0.000 2.309 118 D HA -0.138 4.516 4.640 0.023 0.000 0.212 118 D C 1.081 176.958 176.300 -0.705 0.000 0.968 118 D CA 1.167 54.914 54.000 -0.422 0.000 0.882 118 D CB -0.344 40.214 40.800 -0.405 0.000 0.918 118 D HN 0.493 nan 8.370 nan 0.000 0.503 119 H N -0.624 118.328 119.070 -0.197 0.000 2.510 119 H HA 0.221 4.788 4.556 0.018 0.000 0.266 119 H C 0.930 176.101 175.328 -0.262 0.000 1.146 119 H CA -0.138 55.792 56.048 -0.197 0.000 0.993 119 H CB 0.498 30.163 29.762 -0.162 0.000 1.727 119 H HN 0.247 nan 8.280 nan 0.000 0.590 120 E N 0.603 120.635 120.200 -0.279 0.000 2.204 120 E HA -0.039 4.325 4.350 0.023 0.000 0.194 120 E C 0.461 176.908 176.600 -0.254 0.000 0.989 120 E CA 0.562 56.773 56.400 -0.315 0.000 0.824 120 E CB 0.478 29.961 29.700 -0.363 0.000 0.756 120 E HN 0.131 nan 8.360 nan 0.000 0.477 121 R N 1.163 121.575 120.500 -0.147 0.000 2.404 121 R HA 0.365 4.719 4.340 0.023 0.000 0.291 121 R C 0.374 176.713 176.300 0.065 0.000 1.025 121 R CA -0.336 55.749 56.100 -0.026 0.000 0.991 121 R CB 0.836 31.109 30.300 -0.045 0.000 1.053 121 R HN 0.151 nan 8.270 nan 0.000 0.479 122 I N -0.766 119.910 120.570 0.177 0.000 2.863 122 I HA 0.600 4.784 4.170 0.023 0.000 0.311 122 I C -2.136 174.044 176.117 0.105 0.000 1.026 122 I CA -2.897 58.493 61.300 0.150 0.000 1.077 122 I CB 1.625 39.748 38.000 0.205 0.000 1.262 122 I HN 0.246 nan 8.210 nan 0.000 0.461 123 P HA 0.082 nan 4.420 nan 0.000 0.265 123 P C -0.900 176.431 177.300 0.052 0.000 1.193 123 P CA -0.038 63.090 63.100 0.047 0.000 0.765 123 P CB 0.403 32.119 31.700 0.026 0.000 0.823 124 E N 2.675 122.908 120.200 0.056 0.000 2.369 124 E HA 0.221 4.585 4.350 0.023 0.000 0.255 124 E C -0.440 176.188 176.600 0.047 0.000 1.172 124 E CA -0.884 55.554 56.400 0.063 0.000 0.932 124 E CB 0.634 30.378 29.700 0.073 0.000 1.040 124 E HN 0.249 nan 8.360 nan 0.000 0.454 125 R N 0.579 121.113 120.500 0.057 0.000 2.623 125 R HA 0.003 4.357 4.340 0.023 0.000 0.271 125 R C 1.298 177.635 176.300 0.062 0.000 1.043 125 R CA -0.415 55.717 56.100 0.052 0.000 1.083 125 R CB 0.280 30.631 30.300 0.085 0.000 0.974 125 R HN 0.568 nan 8.270 nan 0.000 0.436 126 I N 1.855 122.456 120.570 0.051 0.000 2.226 126 I HA -0.137 4.047 4.170 0.023 0.000 0.245 126 I C 1.222 177.394 176.117 0.092 0.000 1.100 126 I CA 1.513 62.852 61.300 0.065 0.000 1.374 126 I CB -1.066 36.978 38.000 0.072 0.000 1.057 126 I HN 0.383 nan 8.210 nan 0.000 0.413 127 V N -3.209 116.795 119.914 0.150 0.000 3.074 127 V HA 0.516 4.650 4.120 0.023 0.000 0.314 127 V C 0.483 176.749 176.094 0.286 0.000 1.117 127 V CA -0.816 61.599 62.300 0.192 0.000 1.014 127 V CB 1.761 33.776 31.823 0.320 0.000 1.057 127 V HN 0.440 nan 8.190 nan 0.000 0.438 128 H N 0.130 119.267 119.070 0.111 0.000 2.899 128 H HA -0.227 4.343 4.556 0.023 0.000 0.282 128 H C 1.602 176.980 175.328 0.082 0.000 1.198 128 H CA 0.782 56.888 56.048 0.095 0.000 1.140 128 H CB -1.300 28.505 29.762 0.073 0.000 1.317 128 H HN 1.164 nan 8.280 nan 0.000 0.375 129 A N 0.821 123.732 122.820 0.151 0.000 1.978 129 A HA -0.142 4.192 4.320 0.023 0.000 0.220 129 A C 1.701 179.377 177.584 0.153 0.000 1.170 129 A CA 1.516 53.632 52.037 0.131 0.000 0.636 129 A CB -0.149 18.908 19.000 0.095 0.000 0.810 129 A HN 0.278 nan 8.150 nan 0.000 0.448 130 R N 0.039 120.630 120.500 0.152 0.000 2.202 130 R HA 0.519 4.873 4.340 0.023 0.000 0.334 130 R C -0.152 176.277 176.300 0.215 0.000 1.036 130 R CA 0.701 56.910 56.100 0.182 0.000 0.878 130 R CB 0.403 30.796 30.300 0.155 0.000 1.067 130 R HN 0.343 nan 8.270 nan 0.000 0.457 131 G N 0.859 109.813 108.800 0.257 0.000 2.673 131 G HA2 0.492 4.466 3.960 0.023 0.000 0.292 131 G HA3 0.492 4.466 3.960 0.023 0.000 0.292 131 G C -1.634 173.423 174.900 0.261 0.000 1.450 131 G CA -0.584 44.630 45.100 0.190 0.000 0.837 131 G HN 0.498 nan 8.290 nan 0.000 0.505 132 S N -0.951 114.847 115.700 0.163 0.000 2.538 132 S HA 0.891 5.375 4.470 0.023 0.000 0.288 132 S C -0.103 174.506 174.600 0.015 0.000 1.108 132 S CA -0.122 58.235 58.200 0.260 0.000 0.971 132 S CB 1.728 65.196 63.200 0.447 0.000 1.041 132 S HN 1.564 nan 8.310 nan 0.000 0.483 133 A N 1.636 124.425 122.820 -0.051 0.000 2.479 133 A HA 1.041 5.375 4.320 0.023 0.000 0.296 133 A C -0.964 176.409 177.584 -0.352 0.000 1.121 133 A CA -0.738 51.053 52.037 -0.410 0.000 0.743 133 A CB 1.633 20.215 19.000 -0.695 0.000 1.323 133 A HN 1.378 nan 8.150 nan 0.000 0.415 134 A N 0.357 122.800 122.820 -0.629 0.000 2.612 134 A HA 0.687 5.021 4.320 0.023 0.000 0.293 134 A C -1.097 176.282 177.584 -0.341 0.000 1.075 134 A CA -0.664 51.180 52.037 -0.322 0.000 0.680 134 A CB 0.662 19.574 19.000 -0.147 0.000 1.279 134 A HN 0.880 nan 8.150 nan 0.000 0.411 135 H N -0.226 118.863 119.070 0.032 0.000 2.505 135 H HA 0.660 5.230 4.556 0.023 0.000 0.355 135 H C 0.701 176.030 175.328 0.001 0.000 1.179 135 H CA 1.058 57.182 56.048 0.126 0.000 1.343 135 H CB 1.766 31.600 29.762 0.121 0.000 1.501 135 H HN 1.165 nan 8.280 nan 0.000 0.569 136 G N 0.594 109.500 108.800 0.177 0.000 2.510 136 G HA2 0.344 4.318 3.960 0.023 0.000 0.277 136 G HA3 0.344 4.318 3.960 0.023 0.000 0.277 136 G C -2.035 172.999 174.900 0.222 0.000 1.223 136 G CA -0.601 44.563 45.100 0.106 0.000 0.887 136 G HN 0.642 nan 8.290 nan 0.000 0.485 137 Y N -1.746 118.591 120.300 0.062 0.000 2.581 137 Y HA 0.826 5.390 4.550 0.023 0.000 0.337 137 Y C -1.816 174.223 175.900 0.232 0.000 1.108 137 Y CA -1.868 56.315 58.100 0.138 0.000 1.033 137 Y CB 1.870 40.383 38.460 0.089 0.000 1.318 137 Y HN 0.841 nan 8.280 nan 0.000 0.459 138 F N 2.471 122.557 119.950 0.227 0.000 2.563 138 F HA 0.705 5.246 4.527 0.024 0.000 0.316 138 F C -1.229 174.761 175.800 0.316 0.000 1.076 138 F CA -0.571 57.571 58.000 0.236 0.000 0.921 138 F CB 2.371 41.647 39.000 0.460 0.000 1.209 138 F HN 0.816 nan 8.300 nan 0.000 0.462 139 Q N 6.763 126.037 119.800 -0.877 0.000 2.345 139 Q HA 0.511 4.866 4.340 0.023 0.000 0.275 139 Q C -2.985 172.343 176.000 -1.120 0.000 1.063 139 Q CA -2.373 53.059 55.803 -0.619 0.000 0.819 139 Q CB 3.277 31.927 28.738 -0.146 0.000 1.356 139 Q HN 0.374 nan 8.270 nan 0.000 0.418 140 P HA 0.093 nan 4.420 nan 0.000 0.281 140 P C -0.466 176.683 177.300 -0.251 0.000 1.249 140 P CA -0.045 62.781 63.100 -0.456 0.000 0.810 140 P CB 0.730 32.347 31.700 -0.138 0.000 1.008 141 Y N 0.780 121.012 120.300 -0.113 0.000 2.263 141 Y HA -0.065 4.499 4.550 0.024 0.000 0.292 141 Y C 1.510 177.380 175.900 -0.050 0.000 1.130 141 Y CA 0.604 58.662 58.100 -0.069 0.000 1.179 141 Y CB 0.205 38.632 38.460 -0.055 0.000 0.998 141 Y HN 0.366 nan 8.280 nan 0.000 0.532 142 K N -1.033 119.425 120.400 0.097 0.000 2.555 142 K HA 0.397 4.731 4.320 0.023 0.000 0.279 142 K C -0.896 175.707 176.600 0.005 0.000 0.986 142 K CA -0.949 55.365 56.287 0.045 0.000 0.880 142 K CB 1.602 34.130 32.500 0.046 0.000 1.474 142 K HN -0.254 nan 8.250 nan 0.000 0.433 143 S N 1.016 116.716 115.700 0.001 0.000 2.537 143 S HA 0.114 4.598 4.470 0.023 0.000 0.286 143 S C 0.401 174.988 174.600 -0.021 0.000 1.299 143 S CA -0.562 57.629 58.200 -0.015 0.000 1.067 143 S CB -0.235 62.960 63.200 -0.008 0.000 0.864 143 S HN 0.541 nan 8.310 nan 0.000 0.494 144 L N 4.989 126.189 121.223 -0.040 0.000 2.912 144 L HA 0.139 4.493 4.340 0.023 0.000 0.240 144 L C 1.961 178.814 176.870 -0.028 0.000 1.262 144 L CA -0.125 54.700 54.840 -0.026 0.000 1.058 144 L CB -0.308 41.741 42.059 -0.017 0.000 1.383 144 L HN 0.841 nan 8.230 nan 0.000 0.512 145 S N -1.752 113.931 115.700 -0.030 0.000 2.419 145 S HA -0.187 4.297 4.470 0.023 0.000 0.235 145 S C 1.251 175.835 174.600 -0.027 0.000 1.019 145 S CA 1.113 59.294 58.200 -0.031 0.000 0.982 145 S CB -0.157 63.029 63.200 -0.024 0.000 0.789 145 S HN 0.420 nan 8.310 nan 0.000 0.490 146 D N 1.961 122.350 120.400 -0.018 0.000 2.264 146 D HA 0.033 4.687 4.640 0.023 0.000 0.208 146 D C 1.757 178.042 176.300 -0.025 0.000 0.966 146 D CA 1.278 55.267 54.000 -0.018 0.000 0.864 146 D CB -0.176 40.619 40.800 -0.009 0.000 0.933 146 D HN 0.808 nan 8.370 nan 0.000 0.499 147 I N -4.240 116.316 120.570 -0.023 0.000 4.456 147 I HA 0.237 4.421 4.170 0.023 0.000 0.329 147 I C 0.345 176.424 176.117 -0.064 0.000 1.313 147 I CA -0.076 61.202 61.300 -0.036 0.000 1.205 147 I CB 1.240 39.239 38.000 -0.001 0.000 1.179 147 I HN -0.251 nan 8.210 nan 0.000 0.419 148 T N 1.715 116.234 114.554 -0.060 0.000 2.982 148 T HA 0.310 4.674 4.350 0.023 0.000 0.321 148 T C -0.232 174.415 174.700 -0.088 0.000 1.229 148 T CA -0.679 61.366 62.100 -0.092 0.000 1.044 148 T CB 1.760 70.565 68.868 -0.106 0.000 1.184 148 T HN 0.427 nan 8.240 nan 0.000 0.477 149 K N 2.595 122.942 120.400 -0.089 0.000 2.469 149 K HA 0.600 4.934 4.320 0.023 0.000 0.201 149 K C 0.664 177.225 176.600 -0.065 0.000 1.028 149 K CA -0.390 55.856 56.287 -0.068 0.000 1.170 149 K CB 0.220 32.685 32.500 -0.058 0.000 0.874 149 K HN 0.492 nan 8.250 nan 0.000 0.507 150 A N 1.914 124.671 122.820 -0.105 0.000 2.522 150 A HA -0.034 4.300 4.320 0.023 0.000 0.256 150 A C 0.572 178.116 177.584 -0.067 0.000 1.086 150 A CA -0.062 51.922 52.037 -0.088 0.000 0.763 150 A CB 0.123 19.006 19.000 -0.195 0.000 1.024 150 A HN 0.464 nan 8.150 nan 0.000 0.502 151 D N 2.261 122.697 120.400 0.061 0.000 2.149 151 D HA -0.243 4.411 4.640 0.023 0.000 0.198 151 D C 1.359 177.732 176.300 0.122 0.000 0.990 151 D CA 2.320 56.370 54.000 0.084 0.000 0.839 151 D CB -0.244 40.627 40.800 0.119 0.000 0.948 151 D HN 0.736 nan 8.370 nan 0.000 0.460 152 F N -0.621 119.348 119.950 0.032 0.000 2.546 152 F HA 0.138 4.679 4.527 0.024 0.000 0.298 152 F C 1.057 176.942 175.800 0.142 0.000 1.120 152 F CA 0.435 58.494 58.000 0.098 0.000 1.456 152 F CB -0.220 38.832 39.000 0.087 0.000 1.088 152 F HN -0.054 nan 8.300 nan 0.000 0.572 153 L N 0.841 121.746 121.223 -0.531 0.000 2.818 153 L HA 0.197 4.551 4.340 0.023 0.000 0.243 153 L C 1.818 178.591 176.870 -0.162 0.000 1.185 153 L CA 0.342 54.943 54.840 -0.400 0.000 0.988 153 L CB -0.109 41.605 42.059 -0.575 0.000 1.292 153 L HN 0.335 nan 8.230 nan 0.000 0.519 154 S N -2.505 113.145 115.700 -0.084 0.000 2.524 154 S HA 0.055 4.539 4.470 0.023 0.000 0.216 154 S C 0.360 174.952 174.600 -0.013 0.000 0.987 154 S CA -0.133 58.043 58.200 -0.040 0.000 0.909 154 S CB 0.197 63.388 63.200 -0.015 0.000 0.781 154 S HN 0.344 nan 8.310 nan 0.000 0.521 155 D N 0.810 121.211 120.400 0.002 0.000 2.861 155 D HA 0.307 4.961 4.640 0.023 0.000 0.216 155 D C -2.489 173.821 176.300 0.018 0.000 1.323 155 D CA -1.782 52.228 54.000 0.016 0.000 0.917 155 D CB 2.107 42.925 40.800 0.030 0.000 1.582 155 D HN -0.145 nan 8.370 nan 0.000 0.576 156 P HA -0.095 nan 4.420 nan 0.000 0.223 156 P C 0.406 177.720 177.300 0.022 0.000 1.144 156 P CA 0.711 63.818 63.100 0.013 0.000 0.783 156 P CB 0.445 32.165 31.700 0.033 0.000 0.771 157 N N -0.467 118.251 118.700 0.031 0.000 2.280 157 N HA 0.023 4.777 4.740 0.023 0.000 0.192 157 N C 0.542 176.082 175.510 0.051 0.000 1.109 157 N CA 0.184 53.255 53.050 0.036 0.000 0.855 157 N CB 0.119 38.623 38.487 0.029 0.000 0.974 157 N HN 0.259 nan 8.380 nan 0.000 0.482 158 K N 1.711 122.151 120.400 0.066 0.000 2.310 158 K HA 0.201 4.535 4.320 0.023 0.000 0.290 158 K C -0.496 176.196 176.600 0.153 0.000 1.077 158 K CA -0.195 56.158 56.287 0.109 0.000 0.922 158 K CB 0.444 33.023 32.500 0.133 0.000 1.057 158 K HN -0.113 nan 8.250 nan 0.000 0.479 159 I N 3.875 124.538 120.570 0.154 0.000 2.331 159 I HA 0.141 4.325 4.170 0.023 0.000 0.292 159 I C 0.107 176.394 176.117 0.285 0.000 0.998 159 I CA -0.324 61.102 61.300 0.210 0.000 1.267 159 I CB 1.488 39.559 38.000 0.118 0.000 1.386 159 I HN 0.523 nan 8.210 nan 0.000 0.476 160 T N 8.149 122.961 114.554 0.429 0.000 2.770 160 T HA 0.379 4.743 4.350 0.023 0.000 0.283 160 T C -2.447 172.517 174.700 0.439 0.000 0.988 160 T CA -1.353 61.020 62.100 0.455 0.000 0.957 160 T CB 1.703 70.950 68.868 0.631 0.000 0.930 160 T HN 0.288 nan 8.240 nan 0.000 0.443 161 P HA 0.280 nan 4.420 nan 0.000 0.271 161 P C -0.652 176.901 177.300 0.422 0.000 1.218 161 P CA -0.460 62.842 63.100 0.337 0.000 0.780 161 P CB 0.530 32.347 31.700 0.195 0.000 0.901 162 V N -0.056 120.044 119.914 0.311 0.000 3.001 162 V HA 0.740 4.874 4.120 0.023 0.000 0.314 162 V C -1.308 174.951 176.094 0.275 0.000 1.099 162 V CA -0.986 61.401 62.300 0.144 0.000 0.989 162 V CB 2.167 33.861 31.823 -0.215 0.000 1.040 162 V HN 0.333 nan 8.190 nan 0.000 0.434 163 F N 2.610 122.555 119.950 -0.008 0.000 2.518 163 F HA 0.835 5.376 4.527 0.024 0.000 0.323 163 F C -0.862 174.835 175.800 -0.171 0.000 1.129 163 F CA -0.781 57.143 58.000 -0.126 0.000 0.920 163 F CB 1.975 40.926 39.000 -0.082 0.000 1.160 163 F HN 0.521 nan 8.300 nan 0.000 0.440 164 V N 6.825 126.282 119.914 -0.762 0.000 2.448 164 V HA 0.549 4.683 4.120 0.023 0.000 0.295 164 V C -0.588 174.827 176.094 -1.131 0.000 1.025 164 V CA -0.805 60.968 62.300 -0.878 0.000 0.859 164 V CB 1.836 33.079 31.823 -0.966 0.000 0.988 164 V HN 0.738 nan 8.190 nan 0.000 0.431 165 R N 3.791 123.637 120.500 -1.090 0.000 2.437 165 R HA 0.630 4.984 4.340 0.023 0.000 0.310 165 R C -1.538 174.138 176.300 -1.039 0.000 0.955 165 R CA -0.428 55.112 56.100 -0.934 0.000 0.851 165 R CB 1.125 31.046 30.300 -0.632 0.000 1.161 165 R HN 0.544 nan 8.270 nan 0.000 0.446 166 F N 1.790 121.318 119.950 -0.704 0.000 2.432 166 F HA 0.511 5.052 4.527 0.023 0.000 0.329 166 F C 0.467 175.905 175.800 -0.603 0.000 1.076 166 F CA -0.235 57.238 58.000 -0.879 0.000 1.018 166 F CB 2.130 40.090 39.000 -1.735 0.000 1.201 166 F HN 0.590 nan 8.300 nan 0.000 0.489 167 S N -1.130 114.491 115.700 -0.131 0.000 2.588 167 S HA 0.622 5.106 4.470 0.023 0.000 0.269 167 S C -0.531 174.215 174.600 0.243 0.000 1.157 167 S CA -0.840 57.434 58.200 0.123 0.000 0.824 167 S CB 1.341 64.661 63.200 0.201 0.000 1.126 167 S HN 0.743 nan 8.310 nan 0.000 0.464 168 T N -1.361 113.334 114.554 0.236 0.000 2.865 168 T HA 0.651 5.015 4.350 0.023 0.000 0.302 168 T C 0.848 175.520 174.700 -0.045 0.000 1.078 168 T CA 0.025 62.219 62.100 0.157 0.000 0.942 168 T CB 0.114 69.078 68.868 0.160 0.000 1.387 168 T HN 0.631 nan 8.240 nan 0.000 0.557 169 V N -0.078 119.769 119.914 -0.112 0.000 2.948 169 V HA 0.139 4.273 4.120 0.023 0.000 0.234 169 V C 2.710 178.728 176.094 -0.126 0.000 1.205 169 V CA 0.348 62.451 62.300 -0.328 0.000 1.234 169 V CB -0.258 31.456 31.823 -0.181 0.000 1.020 169 V HN 0.862 nan 8.190 nan 0.000 0.491 170 Q N 1.140 120.907 119.800 -0.056 0.000 2.123 170 Q HA 0.089 4.443 4.340 0.023 0.000 0.196 170 Q C 1.232 177.212 176.000 -0.034 0.000 0.958 170 Q CA 1.329 57.098 55.803 -0.057 0.000 0.841 170 Q CB -0.077 28.614 28.738 -0.079 0.000 0.915 170 Q HN 0.579 nan 8.270 nan 0.000 0.455 171 G N -0.120 108.674 108.800 -0.011 0.000 2.572 171 G HA2 0.424 4.398 3.960 0.023 0.000 0.261 171 G HA3 0.424 4.398 3.960 0.023 0.000 0.261 171 G C 0.096 175.005 174.900 0.016 0.000 1.197 171 G CA 0.040 45.137 45.100 -0.004 0.000 0.870 171 G HN 0.322 nan 8.290 nan 0.000 0.548 172 G N -1.133 107.672 108.800 0.008 0.000 2.651 172 G HA2 0.468 4.442 3.960 0.023 0.000 0.260 172 G HA3 0.468 4.442 3.960 0.023 0.000 0.260 172 G C 1.356 176.287 174.900 0.052 0.000 1.216 172 G CA 0.440 45.555 45.100 0.025 0.000 0.913 172 G HN 1.090 nan 8.290 nan 0.000 0.535 173 A N -0.639 122.223 122.820 0.070 0.000 2.076 173 A HA 0.099 4.433 4.320 0.023 0.000 0.220 173 A C 2.198 179.823 177.584 0.069 0.000 1.160 173 A CA 2.023 54.121 52.037 0.102 0.000 0.653 173 A CB -0.358 18.720 19.000 0.130 0.000 0.801 173 A HN 1.148 nan 8.150 nan 0.000 0.455 174 G N -0.361 108.459 108.800 0.034 0.000 3.337 174 G HA2 0.343 4.317 3.960 0.023 0.000 0.246 174 G HA3 0.343 4.317 3.960 0.023 0.000 0.246 174 G C 0.687 175.589 174.900 0.004 0.000 1.131 174 G CA 0.675 45.780 45.100 0.008 0.000 0.773 174 G HN 0.664 nan 8.290 nan 0.000 0.544 175 S N -0.169 115.543 115.700 0.019 0.000 2.652 175 S HA 0.756 5.240 4.470 0.023 0.000 0.267 175 S C 0.443 175.057 174.600 0.024 0.000 1.201 175 S CA -0.050 58.158 58.200 0.012 0.000 0.996 175 S CB 1.545 64.753 63.200 0.014 0.000 1.054 175 S HN 0.560 nan 8.310 nan 0.000 0.561 176 A N -0.023 122.807 122.820 0.016 0.000 2.279 176 A HA 0.483 4.817 4.320 0.023 0.000 0.303 176 A C 0.538 178.143 177.584 0.035 0.000 1.108 176 A CA -0.621 51.422 52.037 0.010 0.000 0.830 176 A CB 0.055 19.044 19.000 -0.019 0.000 1.106 176 A HN 0.852 nan 8.150 nan 0.000 0.493 177 D N 0.385 120.794 120.400 0.016 0.000 2.120 177 D HA -0.057 4.597 4.640 0.023 0.000 0.202 177 D C 1.547 177.817 176.300 -0.050 0.000 0.972 177 D CA 2.250 56.269 54.000 0.031 0.000 0.837 177 D CB -0.174 40.605 40.800 -0.035 0.000 0.989 177 D HN 0.667 nan 8.370 nan 0.000 0.469 178 T N -0.099 114.349 114.554 -0.177 0.000 3.327 178 T HA 0.303 4.667 4.350 0.023 0.000 0.241 178 T C 0.799 175.485 174.700 -0.023 0.000 0.907 178 T CA -0.593 61.398 62.100 -0.181 0.000 0.931 178 T CB -0.900 67.778 68.868 -0.318 0.000 1.112 178 T HN -0.082 nan 8.240 nan 0.000 0.589 179 V N -1.237 118.715 119.914 0.063 0.000 3.319 179 V HA 0.442 4.576 4.120 0.023 0.000 0.303 179 V C 0.713 176.952 176.094 0.241 0.000 1.094 179 V CA -1.419 60.973 62.300 0.154 0.000 1.106 179 V CB 0.404 32.303 31.823 0.126 0.000 1.099 179 V HN 0.561 nan 8.190 nan 0.000 0.476 180 R N 1.682 122.381 120.500 0.332 0.000 2.248 180 R HA 0.450 4.804 4.340 0.023 0.000 0.328 180 R C -0.912 175.471 176.300 0.137 0.000 1.067 180 R CA 0.005 56.246 56.100 0.235 0.000 0.924 180 R CB 0.000 30.364 30.300 0.107 0.000 1.013 180 R HN 1.062 nan 8.270 nan 0.000 0.454 181 D N 3.328 123.822 120.400 0.156 0.000 2.710 181 D HA 0.164 4.818 4.640 0.023 0.000 0.276 181 D C -0.583 175.832 176.300 0.191 0.000 1.267 181 D CA -0.629 53.452 54.000 0.135 0.000 0.772 181 D CB 1.147 42.016 40.800 0.115 0.000 1.299 181 D HN 0.204 nan 8.370 nan 0.000 0.421 182 I N 1.323 122.024 120.570 0.217 0.000 2.836 182 I HA 0.207 4.391 4.170 0.023 0.000 0.285 182 I C 0.847 177.106 176.117 0.238 0.000 1.174 182 I CA 0.038 61.480 61.300 0.236 0.000 1.405 182 I CB -0.044 38.128 38.000 0.286 0.000 1.385 182 I HN 0.254 nan 8.210 nan 0.000 0.594 183 R N 2.773 123.436 120.500 0.272 0.000 2.637 183 R HA 0.562 4.916 4.340 0.023 0.000 0.291 183 R C -0.055 176.439 176.300 0.323 0.000 0.963 183 R CA -0.767 55.511 56.100 0.295 0.000 0.901 183 R CB 1.488 31.982 30.300 0.325 0.000 1.160 183 R HN 0.806 nan 8.270 nan 0.000 0.457 184 G N 0.916 109.927 108.800 0.352 0.000 2.448 184 G HA2 0.477 4.451 3.960 0.023 0.000 0.285 184 G HA3 0.477 4.451 3.960 0.023 0.000 0.285 184 G C -1.261 173.719 174.900 0.133 0.000 1.176 184 G CA -0.035 45.231 45.100 0.277 0.000 0.852 184 G HN 0.352 nan 8.290 nan 0.000 0.530 185 F N 1.504 121.353 119.950 -0.168 0.000 3.034 185 F HA 0.631 5.172 4.527 0.023 0.000 0.371 185 F C -0.336 175.171 175.800 -0.489 0.000 1.233 185 F CA -1.838 55.963 58.000 -0.333 0.000 1.134 185 F CB 1.080 40.005 39.000 -0.125 0.000 1.495 185 F HN 0.676 nan 8.300 nan 0.000 0.563 186 A N 3.534 126.090 122.820 -0.439 0.000 2.318 186 A HA 0.780 5.114 4.320 0.023 0.000 0.317 186 A C -0.698 176.452 177.584 -0.722 0.000 1.159 186 A CA -0.468 51.142 52.037 -0.712 0.000 0.799 186 A CB 0.894 19.077 19.000 -1.361 0.000 1.194 186 A HN 0.541 nan 8.150 nan 0.000 0.479 187 T N 2.354 116.644 114.554 -0.440 0.000 2.809 187 T HA 0.375 4.739 4.350 0.023 0.000 0.284 187 T C -0.320 174.177 174.700 -0.338 0.000 0.992 187 T CA -0.451 61.386 62.100 -0.438 0.000 0.957 187 T CB 1.014 69.537 68.868 -0.575 0.000 0.942 187 T HN 0.636 nan 8.240 nan 0.000 0.439 188 K N 3.605 123.892 120.400 -0.188 0.000 2.264 188 K HA 0.424 4.758 4.320 0.023 0.000 0.277 188 K C -1.235 175.020 176.600 -0.575 0.000 1.067 188 K CA -0.568 55.507 56.287 -0.353 0.000 0.900 188 K CB 0.278 32.510 32.500 -0.446 0.000 1.124 188 K HN 0.383 nan 8.250 nan 0.000 0.469 189 F N 4.376 124.018 119.950 -0.514 0.000 2.391 189 F HA 0.224 4.765 4.527 0.023 0.000 0.359 189 F C -0.415 175.165 175.800 -0.367 0.000 1.122 189 F CA -0.542 57.224 58.000 -0.391 0.000 1.120 189 F CB 0.638 39.314 39.000 -0.540 0.000 1.142 189 F HN 0.447 nan 8.300 nan 0.000 0.483 190 Y N 1.991 122.346 120.300 0.091 0.000 2.636 190 Y HA 0.218 4.781 4.550 0.023 0.000 0.341 190 Y C 1.015 176.970 175.900 0.090 0.000 1.169 190 Y CA -0.767 57.368 58.100 0.058 0.000 1.498 190 Y CB -0.068 38.420 38.460 0.046 0.000 1.362 190 Y HN 0.542 nan 8.280 nan 0.000 0.494 191 T N -2.238 112.407 114.554 0.152 0.000 2.881 191 T HA 0.206 4.570 4.350 0.023 0.000 0.278 191 T C 0.977 175.769 174.700 0.153 0.000 0.982 191 T CA -0.722 61.474 62.100 0.159 0.000 0.989 191 T CB 1.134 70.061 68.868 0.098 0.000 1.058 191 T HN 0.635 nan 8.240 nan 0.000 0.529 192 E N -0.043 120.253 120.200 0.160 0.000 2.418 192 E HA -0.029 4.335 4.350 0.023 0.000 0.197 192 E C 0.984 177.649 176.600 0.110 0.000 1.026 192 E CA 0.664 57.140 56.400 0.127 0.000 0.862 192 E CB 0.129 29.899 29.700 0.118 0.000 0.799 192 E HN 0.723 nan 8.360 nan 0.000 0.518 193 E N 0.209 120.476 120.200 0.112 0.000 2.651 193 E HA 0.259 4.623 4.350 0.023 0.000 0.208 193 E C 0.053 176.700 176.600 0.079 0.000 0.997 193 E CA -0.250 56.208 56.400 0.097 0.000 1.020 193 E CB 1.243 31.004 29.700 0.101 0.000 1.052 193 E HN 0.188 nan 8.360 nan 0.000 0.465 194 G N 1.130 109.971 108.800 0.069 0.000 2.440 194 G HA2 -0.129 3.845 3.960 0.023 0.000 0.684 194 G HA3 -0.129 3.845 3.960 0.023 0.000 0.684 194 G C -0.818 174.085 174.900 0.006 0.000 1.309 194 G CA -1.132 43.984 45.100 0.027 0.000 0.931 194 G HN 0.028 nan 8.290 nan 0.000 0.612 195 I N 0.729 121.265 120.570 -0.057 0.000 2.618 195 I HA 0.342 4.526 4.170 0.023 0.000 0.284 195 I C 0.206 176.323 176.117 -0.001 0.000 1.146 195 I CA 0.125 61.360 61.300 -0.109 0.000 1.425 195 I CB 0.564 38.431 38.000 -0.221 0.000 1.383 195 I HN 0.476 nan 8.210 nan 0.000 0.562 196 F N 6.934 126.766 119.950 -0.198 0.000 2.449 196 F HA 0.451 4.992 4.527 0.024 0.000 0.342 196 F C -0.606 175.142 175.800 -0.086 0.000 1.127 196 F CA -1.347 56.535 58.000 -0.196 0.000 0.975 196 F CB 0.803 39.521 39.000 -0.471 0.000 1.146 196 F HN 0.347 nan 8.300 nan 0.000 0.444 197 D N 6.784 126.982 120.400 -0.337 0.000 2.303 197 D HA 0.259 4.913 4.640 0.023 0.000 0.236 197 D C -0.660 175.163 176.300 -0.795 0.000 1.068 197 D CA -0.003 53.739 54.000 -0.429 0.000 0.830 197 D CB 2.401 43.147 40.800 -0.091 0.000 1.109 197 D HN 0.642 nan 8.370 nan 0.000 0.496 198 L N 3.182 123.880 121.223 -0.875 0.000 2.272 198 L HA 0.276 4.630 4.340 0.023 0.000 0.284 198 L C -0.984 175.655 176.870 -0.386 0.000 1.045 198 L CA -0.595 53.811 54.840 -0.723 0.000 0.842 198 L CB 0.632 42.281 42.059 -0.684 0.000 1.224 198 L HN 0.056 nan 8.230 nan 0.000 0.430 199 V N 5.287 125.014 119.914 -0.311 0.000 2.277 199 V HA 0.524 4.658 4.120 0.023 0.000 0.269 199 V C 0.769 176.756 176.094 -0.180 0.000 1.036 199 V CA -0.322 61.808 62.300 -0.285 0.000 0.821 199 V CB 0.627 32.239 31.823 -0.352 0.000 1.052 199 V HN 0.806 nan 8.190 nan 0.000 0.462 200 G N 3.364 112.079 108.800 -0.142 0.000 2.735 200 G HA2 0.682 4.656 3.960 0.023 0.000 0.301 200 G HA3 0.682 4.656 3.960 0.023 0.000 0.301 200 G C -0.895 174.028 174.900 0.037 0.000 1.279 200 G CA -0.587 44.487 45.100 -0.043 0.000 1.019 200 G HN 0.488 nan 8.290 nan 0.000 0.497 201 N N -1.149 117.621 118.700 0.117 0.000 3.038 201 N HA 0.250 5.004 4.740 0.023 0.000 0.307 201 N C 0.336 176.037 175.510 0.317 0.000 1.441 201 N CA -0.752 52.430 53.050 0.219 0.000 0.772 201 N CB 1.325 39.921 38.487 0.181 0.000 1.651 201 N HN 0.521 nan 8.380 nan 0.000 0.593 202 N N -1.258 117.646 118.700 0.339 0.000 2.314 202 N HA 0.004 4.758 4.740 0.023 0.000 0.200 202 N C -0.506 175.265 175.510 0.434 0.000 1.135 202 N CA -0.083 53.224 53.050 0.429 0.000 0.835 202 N CB -0.177 38.537 38.487 0.379 0.000 0.989 202 N HN 0.549 nan 8.380 nan 0.000 0.478 203 T N -3.784 110.839 114.554 0.116 0.000 2.906 203 T HA 0.469 4.833 4.350 0.023 0.000 0.295 203 T C -2.712 171.336 174.700 -1.087 0.000 1.075 203 T CA -1.550 60.157 62.100 -0.656 0.000 1.005 203 T CB 2.940 71.329 68.868 -0.797 0.000 1.136 203 T HN -0.227 nan 8.240 nan 0.000 0.498 204 P HA 0.243 nan 4.420 nan 0.000 0.257 204 P C 0.257 177.033 177.300 -0.873 0.000 1.281 204 P CA -0.025 62.173 63.100 -1.504 0.000 0.826 204 P CB -0.096 30.649 31.700 -1.593 0.000 1.237 205 I N -4.493 115.541 120.570 -0.894 0.000 3.279 205 I HA 0.553 4.737 4.170 0.023 0.000 0.315 205 I C -1.535 174.303 176.117 -0.464 0.000 1.187 205 I CA -1.924 59.000 61.300 -0.627 0.000 0.953 205 I CB 1.508 39.088 38.000 -0.700 0.000 1.279 205 I HN -0.243 nan 8.210 nan 0.000 0.465 206 F N 0.245 119.897 119.950 -0.496 0.000 2.618 206 F HA 0.513 5.054 4.527 0.023 0.000 0.332 206 F C 0.383 175.925 175.800 -0.430 0.000 1.061 206 F CA -0.781 56.957 58.000 -0.438 0.000 0.974 206 F CB 2.077 40.956 39.000 -0.203 0.000 1.310 206 F HN 0.398 nan 8.300 nan 0.000 0.491 207 F N 2.241 121.364 119.950 -1.379 0.000 2.293 207 F HA 0.002 4.543 4.527 0.023 0.000 0.300 207 F C 0.737 176.238 175.800 -0.498 0.000 1.086 207 F CA 0.857 58.267 58.000 -0.983 0.000 1.375 207 F CB -0.084 37.886 39.000 -1.716 0.000 1.045 207 F HN 0.142 nan 8.300 nan 0.000 0.516 208 I N -3.312 117.223 120.570 -0.058 0.000 3.002 208 I HA 0.357 4.541 4.170 0.023 0.000 0.310 208 I C 0.351 176.615 176.117 0.245 0.000 1.087 208 I CA -0.840 60.553 61.300 0.154 0.000 1.017 208 I CB 1.903 40.059 38.000 0.259 0.000 1.226 208 I HN -0.159 nan 8.210 nan 0.000 0.443 209 Q N 0.347 120.290 119.800 0.237 0.000 2.259 209 Q HA 0.147 4.501 4.340 0.023 0.000 0.201 209 Q C -0.318 175.850 176.000 0.280 0.000 0.938 209 Q CA 0.630 56.612 55.803 0.299 0.000 0.872 209 Q CB 0.498 29.480 28.738 0.406 0.000 0.971 209 Q HN 0.642 nan 8.270 nan 0.000 0.494 210 D N -1.113 119.427 120.400 0.232 0.000 2.505 210 D HA 0.304 4.958 4.640 0.023 0.000 0.249 210 D C 0.014 176.441 176.300 0.211 0.000 1.082 210 D CA -0.204 53.904 54.000 0.180 0.000 0.839 210 D CB 1.844 42.723 40.800 0.133 0.000 1.317 210 D HN 0.050 nan 8.370 nan 0.000 0.497 211 A N 3.377 126.292 122.820 0.158 0.000 2.032 211 A HA -0.254 4.080 4.320 0.023 0.000 0.221 211 A C 1.771 179.477 177.584 0.203 0.000 1.165 211 A CA 1.707 53.832 52.037 0.147 0.000 0.645 211 A CB -0.748 18.284 19.000 0.052 0.000 0.807 211 A HN 0.800 nan 8.150 nan 0.000 0.453 212 H N -0.073 119.057 119.070 0.100 0.000 2.489 212 H HA 0.018 4.588 4.556 0.024 0.000 0.293 212 H C 1.505 176.913 175.328 0.134 0.000 1.066 212 H CA 1.744 57.845 56.048 0.089 0.000 1.305 212 H CB 0.028 29.819 29.762 0.047 0.000 1.386 212 H HN 0.436 nan 8.280 nan 0.000 0.551 213 K N -0.693 119.828 120.400 0.201 0.000 2.404 213 K HA -0.022 4.312 4.320 0.023 0.000 0.194 213 K C 1.238 177.977 176.600 0.232 0.000 1.023 213 K CA -0.072 56.332 56.287 0.194 0.000 1.094 213 K CB 0.107 32.778 32.500 0.285 0.000 0.841 213 K HN 0.283 nan 8.250 nan 0.000 0.523 214 F N 2.777 122.781 119.950 0.089 0.000 2.134 214 F HA -0.111 4.430 4.527 0.023 0.000 0.299 214 F C -1.069 174.748 175.800 0.029 0.000 1.097 214 F CA 1.109 59.195 58.000 0.142 0.000 1.264 214 F CB -0.293 38.775 39.000 0.114 0.000 1.001 214 F HN 0.011 nan 8.300 nan 0.000 0.479 215 P HA -0.129 nan 4.420 nan 0.000 0.218 215 P C 1.031 178.011 177.300 -0.534 0.000 1.149 215 P CA 1.641 64.502 63.100 -0.399 0.000 0.817 215 P CB -0.046 31.435 31.700 -0.366 0.000 0.785 216 D N -1.074 119.160 120.400 -0.276 0.000 2.084 216 D HA -0.180 4.474 4.640 0.023 0.000 0.194 216 D C 1.819 177.827 176.300 -0.488 0.000 0.990 216 D CA 1.139 55.010 54.000 -0.215 0.000 0.826 216 D CB -0.920 39.928 40.800 0.081 0.000 0.971 216 D HN 0.144 nan 8.370 nan 0.000 0.453 217 F N 1.909 121.449 119.950 -0.684 0.000 2.069 217 F HA -0.248 4.294 4.527 0.023 0.000 0.298 217 F C 2.302 177.724 175.800 -0.631 0.000 1.113 217 F CA 1.279 58.693 58.000 -0.976 0.000 1.214 217 F CB -0.237 38.419 39.000 -0.572 0.000 0.978 217 F HN -0.239 nan 8.300 nan 0.000 0.474 218 V N 0.138 119.625 119.914 -0.712 0.000 2.427 218 V HA -0.319 3.815 4.120 0.023 0.000 0.248 218 V C 2.262 178.125 176.094 -0.385 0.000 1.051 218 V CA 2.362 64.277 62.300 -0.642 0.000 1.048 218 V CB -1.048 30.427 31.823 -0.580 0.000 0.666 218 V HN 0.478 nan 8.190 nan 0.000 0.456 219 H N -0.198 118.633 119.070 -0.397 0.000 2.387 219 H HA -0.129 4.441 4.556 0.023 0.000 0.299 219 H C 2.328 177.500 175.328 -0.261 0.000 1.090 219 H CA 1.027 56.923 56.048 -0.253 0.000 1.332 219 H CB 0.065 29.728 29.762 -0.164 0.000 1.386 219 H HN 0.489 nan 8.280 nan 0.000 0.516 220 A N 0.424 123.063 122.820 -0.301 0.000 1.930 220 A HA -0.112 4.223 4.320 0.023 0.000 0.217 220 A C 2.503 179.927 177.584 -0.266 0.000 1.175 220 A CA 1.339 53.194 52.037 -0.303 0.000 0.627 220 A CB -0.691 18.005 19.000 -0.506 0.000 0.815 220 A HN 0.299 nan 8.150 nan 0.000 0.443 221 V N -0.183 119.446 119.914 -0.475 0.000 2.788 221 V HA -0.010 4.124 4.120 0.023 0.000 0.251 221 V C 0.919 176.983 176.094 -0.050 0.000 1.068 221 V CA 0.855 62.966 62.300 -0.314 0.000 1.090 221 V CB -0.468 30.982 31.823 -0.622 0.000 0.710 221 V HN 0.338 nan 8.190 nan 0.000 0.467 222 K N 0.956 121.287 120.400 -0.116 0.000 2.187 222 K HA 0.213 4.547 4.320 0.023 0.000 0.247 222 K C -2.275 174.283 176.600 -0.071 0.000 1.019 222 K CA -1.627 54.610 56.287 -0.083 0.000 0.893 222 K CB -0.415 32.028 32.500 -0.094 0.000 1.025 222 K HN 0.161 nan 8.250 nan 0.000 0.500 223 P HA -0.037 nan 4.420 nan 0.000 0.265 223 P C -0.498 176.750 177.300 -0.086 0.000 1.187 223 P CA 0.475 63.448 63.100 -0.211 0.000 0.766 223 P CB 0.353 31.935 31.700 -0.197 0.000 0.820 224 E N 4.926 125.121 120.200 -0.008 0.000 2.383 224 E HA 0.023 4.387 4.350 0.023 0.000 0.264 224 E C -1.307 175.391 176.600 0.163 0.000 1.050 224 E CA -1.384 55.122 56.400 0.176 0.000 0.896 224 E CB 0.205 30.140 29.700 0.391 0.000 0.982 224 E HN 0.419 nan 8.360 nan 0.000 0.424 225 P HA -0.162 nan 4.420 nan 0.000 0.227 225 P C 0.904 178.294 177.300 0.151 0.000 1.161 225 P CA 1.190 64.346 63.100 0.093 0.000 0.788 225 P CB 0.093 31.813 31.700 0.032 0.000 0.822 226 H N -0.733 118.378 119.070 0.068 0.000 2.333 226 H HA -0.067 4.503 4.556 0.023 0.000 0.302 226 H C 1.347 176.782 175.328 0.178 0.000 1.075 226 H CA 1.372 57.451 56.048 0.051 0.000 1.348 226 H CB -1.277 28.445 29.762 -0.067 0.000 1.393 226 H HN 0.290 nan 8.280 nan 0.000 0.509 227 W N -0.206 120.740 121.300 -0.591 0.000 2.870 227 W HA 0.710 5.383 4.660 0.023 0.000 0.358 227 W C 0.472 176.828 176.519 -0.273 0.000 1.043 227 W CA -1.200 55.912 57.345 -0.388 0.000 1.692 227 W CB -0.749 28.440 29.460 -0.451 0.000 1.100 227 W HN 0.430 nan 8.180 nan 0.000 0.557 228 A N 1.254 124.052 122.820 -0.038 0.000 2.667 228 A HA -0.141 4.194 4.320 0.023 0.000 0.298 228 A C -0.402 176.948 177.584 -0.390 0.000 1.483 228 A CA 1.425 53.360 52.037 -0.169 0.000 0.738 228 A CB -2.393 16.535 19.000 -0.120 0.000 1.067 228 A HN 0.467 nan 8.150 nan 0.000 0.451 229 I N 0.403 120.595 120.570 -0.631 0.000 2.769 229 I HA 0.557 4.741 4.170 0.023 0.000 0.298 229 I C -2.480 173.326 176.117 -0.518 0.000 1.128 229 I CA -2.407 58.428 61.300 -0.775 0.000 1.031 229 I CB 2.989 40.027 38.000 -1.604 0.000 1.235 229 I HN 0.208 nan 8.210 nan 0.000 0.423 230 P HA 0.317 nan 4.420 nan 0.000 0.292 230 P C -1.596 175.535 177.300 -0.282 0.000 1.300 230 P CA -0.830 62.043 63.100 -0.378 0.000 0.900 230 P CB 1.675 33.223 31.700 -0.253 0.000 1.139 231 Q N 0.708 120.390 119.800 -0.198 0.000 2.267 231 Q HA 0.492 4.846 4.340 0.023 0.000 0.255 231 Q C 1.063 177.021 176.000 -0.070 0.000 0.923 231 Q CA 0.963 56.689 55.803 -0.129 0.000 0.925 231 Q CB -0.209 28.465 28.738 -0.107 0.000 1.195 231 Q HN 0.819 nan 8.270 nan 0.000 0.417 232 G N 3.167 111.936 108.800 -0.051 0.000 2.198 232 G HA2 -0.283 3.691 3.960 0.023 0.000 0.260 232 G HA3 -0.283 3.691 3.960 0.023 0.000 0.260 232 G C -0.432 174.480 174.900 0.020 0.000 1.025 232 G CA 0.517 45.614 45.100 -0.005 0.000 0.769 232 G HN 0.540 nan 8.290 nan 0.000 0.507 233 Q N -1.057 118.738 119.800 -0.007 0.000 2.309 233 Q HA 0.530 4.884 4.340 0.023 0.000 0.273 233 Q C 0.679 176.684 176.000 0.007 0.000 1.040 233 Q CA -0.109 55.716 55.803 0.037 0.000 0.834 233 Q CB 1.768 30.567 28.738 0.102 0.000 1.345 233 Q HN 0.471 nan 8.270 nan 0.000 0.414 234 S N -0.499 115.107 115.700 -0.157 0.000 2.575 234 S HA 0.203 4.687 4.470 0.023 0.000 0.215 234 S C 0.873 175.416 174.600 -0.094 0.000 0.966 234 S CA -0.003 57.885 58.200 -0.520 0.000 0.911 234 S CB 0.314 62.644 63.200 -1.449 0.000 0.780 234 S HN 0.592 nan 8.310 nan 0.000 0.514 235 A N 2.319 125.272 122.820 0.221 0.000 3.063 235 A HA 0.527 4.861 4.320 0.023 0.000 0.263 235 A C 0.109 177.929 177.584 0.393 0.000 1.736 235 A CA -0.584 51.660 52.037 0.345 0.000 1.408 235 A CB -1.230 17.899 19.000 0.216 0.000 1.108 235 A HN 0.904 nan 8.150 nan 0.000 0.621 236 H N -3.570 115.693 119.070 0.321 0.000 3.003 236 H HA 0.468 5.038 4.556 0.024 0.000 0.327 236 H C -0.296 175.228 175.328 0.327 0.000 1.353 236 H CA -0.760 55.440 56.048 0.253 0.000 1.142 236 H CB 0.242 30.112 29.762 0.181 0.000 1.864 236 H HN 0.070 nan 8.280 nan 0.000 0.529 237 D N 0.281 120.852 120.400 0.285 0.000 2.116 237 D HA -0.208 4.446 4.640 0.023 0.000 0.193 237 D C 2.117 178.474 176.300 0.096 0.000 0.998 237 D CA 3.124 57.226 54.000 0.171 0.000 0.836 237 D CB -0.353 40.524 40.800 0.128 0.000 0.951 237 D HN 0.783 nan 8.370 nan 0.000 0.449 238 T N -1.623 112.977 114.554 0.077 0.000 2.833 238 T HA -0.202 4.162 4.350 0.023 0.000 0.269 238 T C 1.895 176.522 174.700 -0.122 0.000 1.054 238 T CA 0.682 62.792 62.100 0.017 0.000 1.135 238 T CB -0.704 68.223 68.868 0.098 0.000 0.869 238 T HN 0.172 nan 8.240 nan 0.000 0.466 239 F N 0.709 120.335 119.950 -0.540 0.000 2.102 239 F HA 0.089 4.630 4.527 0.023 0.000 0.298 239 F C 1.808 177.339 175.800 -0.450 0.000 1.105 239 F CA 0.744 58.359 58.000 -0.642 0.000 1.239 239 F CB -0.505 37.926 39.000 -0.948 0.000 0.991 239 F HN 0.141 nan 8.300 nan 0.000 0.474 240 W N 0.551 121.776 121.300 -0.124 0.000 2.467 240 W HA -0.051 4.623 4.660 0.024 0.000 0.275 240 W C 2.254 178.688 176.519 -0.142 0.000 1.239 240 W CA 0.959 58.219 57.345 -0.141 0.000 1.266 240 W CB -0.620 28.850 29.460 0.017 0.000 1.112 240 W HN 0.061 nan 8.180 nan 0.000 0.576 241 D N -0.479 119.957 120.400 0.060 0.000 2.092 241 D HA -0.302 4.352 4.640 0.023 0.000 0.193 241 D C 1.892 178.187 176.300 -0.008 0.000 0.994 241 D CA 1.555 55.575 54.000 0.033 0.000 0.828 241 D CB -0.540 40.288 40.800 0.047 0.000 0.963 241 D HN 0.189 nan 8.370 nan 0.000 0.450 242 Y N 0.390 120.576 120.300 -0.190 0.000 2.145 242 Y HA -0.195 4.369 4.550 0.024 0.000 0.286 242 Y C 2.280 178.035 175.900 -0.242 0.000 1.145 242 Y CA 1.486 59.461 58.100 -0.208 0.000 1.148 242 Y CB -0.446 37.849 38.460 -0.274 0.000 0.981 242 Y HN -0.109 nan 8.280 nan 0.000 0.507 243 V N 0.225 119.998 119.914 -0.235 0.000 2.282 243 V HA -0.369 3.765 4.120 0.023 0.000 0.249 243 V C 2.623 178.652 176.094 -0.108 0.000 1.057 243 V CA 2.336 64.497 62.300 -0.231 0.000 1.032 243 V CB -1.299 30.274 31.823 -0.417 0.000 0.645 243 V HN 0.679 nan 8.190 nan 0.000 0.447 244 S N -0.374 115.309 115.700 -0.028 0.000 2.440 244 S HA -0.104 4.380 4.470 0.023 0.000 0.238 244 S C 1.690 176.258 174.600 -0.053 0.000 1.010 244 S CA 1.559 59.768 58.200 0.014 0.000 0.972 244 S CB -0.453 62.785 63.200 0.064 0.000 0.774 244 S HN 0.569 nan 8.310 nan 0.000 0.501 245 L N -0.208 120.932 121.223 -0.138 0.000 2.616 245 L HA 0.327 4.681 4.340 0.023 0.000 0.229 245 L C 0.445 177.145 176.870 -0.282 0.000 1.110 245 L CA 0.093 54.828 54.840 -0.175 0.000 0.884 245 L CB 0.108 42.063 42.059 -0.174 0.000 1.115 245 L HN 0.249 nan 8.230 nan 0.000 0.481 246 Q N 0.540 120.127 119.800 -0.354 0.000 2.891 246 Q HA 0.240 4.595 4.340 0.023 0.000 0.242 246 Q C -1.996 173.784 176.000 -0.367 0.000 0.959 246 Q CA -1.430 54.120 55.803 -0.421 0.000 0.707 246 Q CB 1.723 30.096 28.738 -0.608 0.000 1.283 246 Q HN -0.013 nan 8.270 nan 0.000 0.480 247 P HA -0.193 nan 4.420 nan 0.000 0.226 247 P C 0.972 177.975 177.300 -0.495 0.000 1.153 247 P CA 0.938 63.802 63.100 -0.394 0.000 0.777 247 P CB 0.283 31.727 31.700 -0.427 0.000 0.794 248 E N 0.880 120.643 120.200 -0.729 0.000 2.219 248 E HA -0.193 4.171 4.350 0.023 0.000 0.198 248 E C 1.399 177.948 176.600 -0.085 0.000 0.998 248 E CA 1.883 58.108 56.400 -0.292 0.000 0.818 248 E CB -1.317 28.280 29.700 -0.172 0.000 0.741 248 E HN 0.272 nan 8.360 nan 0.000 0.477 249 T N -1.014 113.492 114.554 -0.081 0.000 3.118 249 T HA 0.062 4.426 4.350 0.023 0.000 0.260 249 T C 1.834 176.601 174.700 0.113 0.000 1.139 249 T CA 0.260 62.381 62.100 0.035 0.000 1.085 249 T CB -0.225 68.681 68.868 0.065 0.000 0.934 249 T HN 0.148 nan 8.240 nan 0.000 0.518 250 L N -0.135 121.156 121.223 0.114 0.000 2.141 250 L HA 0.007 4.361 4.340 0.023 0.000 0.209 250 L C 2.830 179.873 176.870 0.288 0.000 1.094 250 L CA 1.466 56.450 54.840 0.240 0.000 0.763 250 L CB -0.680 41.538 42.059 0.266 0.000 0.908 250 L HN 0.460 nan 8.230 nan 0.000 0.437 251 H N -0.005 119.113 119.070 0.081 0.000 2.321 251 H HA -0.192 4.378 4.556 0.024 0.000 0.300 251 H C 2.105 177.427 175.328 -0.011 0.000 1.087 251 H CA 1.677 57.767 56.048 0.070 0.000 1.319 251 H CB 0.274 30.038 29.762 0.003 0.000 1.379 251 H HN 0.359 nan 8.280 nan 0.000 0.501 252 N N -0.105 118.410 118.700 -0.310 0.000 2.309 252 N HA -0.118 4.636 4.740 0.023 0.000 0.182 252 N C 1.875 177.208 175.510 -0.295 0.000 1.018 252 N CA 0.569 53.213 53.050 -0.677 0.000 0.876 252 N CB 0.319 37.950 38.487 -1.426 0.000 0.972 252 N HN 0.120 nan 8.380 nan 0.000 0.434 253 V N 1.573 121.556 119.914 0.115 0.000 2.343 253 V HA -0.247 3.887 4.120 0.023 0.000 0.247 253 V C 2.497 178.726 176.094 0.224 0.000 1.051 253 V CA 1.240 63.746 62.300 0.343 0.000 1.036 253 V CB -0.350 31.727 31.823 0.422 0.000 0.654 253 V HN 0.397 nan 8.190 nan 0.000 0.451 254 M N -1.506 118.263 119.600 0.282 0.000 2.080 254 M HA -0.220 4.274 4.480 0.023 0.000 0.260 254 M C 2.081 178.381 176.300 0.000 0.000 1.068 254 M CA 1.925 57.391 55.300 0.276 0.000 1.109 254 M CB -1.279 31.504 32.600 0.304 0.000 1.342 254 M HN 0.475 nan 8.290 nan 0.000 0.405 255 W N 0.424 121.455 121.300 -0.449 0.000 2.358 255 W HA -0.096 4.578 4.660 0.024 0.000 0.303 255 W C 2.796 179.254 176.519 -0.101 0.000 1.208 255 W CA 1.864 58.930 57.345 -0.464 0.000 1.274 255 W CB -1.096 28.024 29.460 -0.565 0.000 1.138 255 W HN 0.296 nan 8.180 nan 0.000 0.515 256 A N -0.775 122.133 122.820 0.146 0.000 1.930 256 A HA -0.157 4.177 4.320 0.023 0.000 0.217 256 A C 1.923 179.563 177.584 0.093 0.000 1.175 256 A CA 1.551 53.679 52.037 0.152 0.000 0.627 256 A CB -0.573 18.552 19.000 0.209 0.000 0.815 256 A HN 0.083 nan 8.150 nan 0.000 0.443 257 M N 0.813 120.423 119.600 0.017 0.000 2.492 257 M HA 0.010 4.504 4.480 0.023 0.000 0.262 257 M C 1.443 177.794 176.300 0.085 0.000 1.090 257 M CA 0.759 56.014 55.300 -0.076 0.000 1.110 257 M CB -1.430 30.859 32.600 -0.519 0.000 1.407 257 M HN 0.543 nan 8.290 nan 0.000 0.470 258 S N 0.184 115.992 115.700 0.181 0.000 2.634 258 S HA 0.095 4.580 4.470 0.023 0.000 0.261 258 S C 0.702 175.439 174.600 0.230 0.000 1.271 258 S CA -0.484 57.863 58.200 0.245 0.000 0.985 258 S CB 0.911 64.298 63.200 0.312 0.000 0.968 258 S HN 0.184 nan 8.310 nan 0.000 0.568 259 D N 0.167 120.723 120.400 0.258 0.000 2.392 259 D HA 0.022 4.676 4.640 0.023 0.000 0.228 259 D C 1.802 178.256 176.300 0.256 0.000 1.003 259 D CA 0.314 54.488 54.000 0.289 0.000 0.917 259 D CB -0.165 40.879 40.800 0.407 0.000 0.890 259 D HN 0.391 nan 8.370 nan 0.000 0.532 260 R N 0.181 120.826 120.500 0.241 0.000 2.159 260 R HA -0.056 4.298 4.340 0.023 0.000 0.237 260 R C 2.031 178.495 176.300 0.274 0.000 1.131 260 R CA 0.990 57.257 56.100 0.279 0.000 0.982 260 R CB -0.692 29.839 30.300 0.384 0.000 0.868 260 R HN 0.182 nan 8.270 nan 0.000 0.453 261 G N 1.237 110.185 108.800 0.246 0.000 2.744 261 G HA2 -0.017 3.957 3.960 0.023 0.000 0.211 261 G HA3 -0.017 3.957 3.960 0.023 0.000 0.211 261 G C 1.025 176.072 174.900 0.245 0.000 1.143 261 G CA 0.083 45.319 45.100 0.227 0.000 0.788 261 G HN 0.417 nan 8.290 nan 0.000 0.534 262 I N -2.282 118.443 120.570 0.259 0.000 2.948 262 I HA 0.357 4.541 4.170 0.023 0.000 0.308 262 I C -2.883 173.394 176.117 0.266 0.000 1.478 262 I CA -2.567 58.893 61.300 0.266 0.000 0.843 262 I CB 1.748 39.910 38.000 0.271 0.000 2.100 262 I HN -0.271 nan 8.210 nan 0.000 0.625 263 P HA 0.079 nan 4.420 nan 0.000 0.269 263 P C 0.569 178.019 177.300 0.250 0.000 1.209 263 P CA -0.143 63.075 63.100 0.196 0.000 0.776 263 P CB 1.164 32.915 31.700 0.084 0.000 0.876 264 R N 1.723 122.349 120.500 0.210 0.000 2.115 264 R HA 0.029 4.383 4.340 0.023 0.000 0.230 264 R C 0.383 176.827 176.300 0.240 0.000 1.111 264 R CA 1.358 57.630 56.100 0.286 0.000 0.976 264 R CB -0.340 30.096 30.300 0.227 0.000 0.870 264 R HN 0.531 nan 8.270 nan 0.000 0.445 265 S N -2.600 113.029 115.700 -0.118 0.000 2.552 265 S HA 0.214 4.698 4.470 0.023 0.000 0.272 265 S C -0.446 173.836 174.600 -0.531 0.000 1.150 265 S CA -0.867 57.095 58.200 -0.397 0.000 0.849 265 S CB 0.182 63.286 63.200 -0.160 0.000 1.113 265 S HN 0.113 nan 8.310 nan 0.000 0.458 266 Y N 2.309 122.223 120.300 -0.643 0.000 2.483 266 Y HA 0.069 4.632 4.550 0.023 0.000 0.291 266 Y C 2.270 177.791 175.900 -0.632 0.000 1.143 266 Y CA 0.925 58.517 58.100 -0.846 0.000 1.289 266 Y CB -0.312 37.202 38.460 -1.577 0.000 0.983 266 Y HN 0.556 nan 8.280 nan 0.000 0.556 267 R N -0.531 119.821 120.500 -0.246 0.000 2.276 267 R HA -0.004 4.350 4.340 0.023 0.000 0.203 267 R C 0.923 177.181 176.300 -0.069 0.000 1.017 267 R CA 1.416 57.433 56.100 -0.137 0.000 1.010 267 R CB -0.295 29.919 30.300 -0.144 0.000 0.900 267 R HN 0.310 nan 8.270 nan 0.000 0.469 268 T N -1.844 112.684 114.554 -0.044 0.000 3.448 268 T HA 0.357 4.721 4.350 0.023 0.000 0.271 268 T C 0.094 174.834 174.700 0.067 0.000 1.002 268 T CA -0.712 61.394 62.100 0.010 0.000 0.995 268 T CB -0.054 68.805 68.868 -0.015 0.000 1.153 268 T HN 0.076 nan 8.240 nan 0.000 0.510 269 M N -1.093 118.587 119.600 0.133 0.000 2.619 269 M HA 0.739 5.233 4.480 0.023 0.000 0.297 269 M C -1.153 175.325 176.300 0.297 0.000 1.229 269 M CA -0.868 54.554 55.300 0.202 0.000 0.860 269 M CB 2.138 34.855 32.600 0.194 0.000 1.741 269 M HN -0.138 nan 8.290 nan 0.000 0.462 270 E N 0.456 120.830 120.200 0.290 0.000 2.349 270 E HA 0.620 4.984 4.350 0.023 0.000 0.262 270 E C -0.250 176.430 176.600 0.133 0.000 1.088 270 E CA -0.448 56.053 56.400 0.170 0.000 0.899 270 E CB 1.575 31.290 29.700 0.025 0.000 1.044 270 E HN 0.848 nan 8.360 nan 0.000 0.420 271 G N 0.866 109.583 108.800 -0.138 0.000 2.481 271 G HA2 0.644 4.618 3.960 0.023 0.000 0.315 271 G HA3 0.644 4.618 3.960 0.023 0.000 0.315 271 G C -1.411 173.052 174.900 -0.728 0.000 1.231 271 G CA -0.477 44.516 45.100 -0.178 0.000 0.968 271 G HN 0.311 nan 8.290 nan 0.000 0.482 272 F N -0.712 119.182 119.950 -0.093 0.000 2.619 272 F HA 0.504 5.045 4.527 0.023 0.000 0.308 272 F C 1.034 176.741 175.800 -0.156 0.000 1.097 272 F CA -0.632 57.232 58.000 -0.227 0.000 0.953 272 F CB 2.515 41.331 39.000 -0.306 0.000 1.287 272 F HN 0.601 nan 8.300 nan 0.000 0.446 273 G N -0.585 108.280 108.800 0.107 0.000 2.920 273 G HA2 0.191 4.165 3.960 0.023 0.000 0.208 273 G HA3 0.191 4.165 3.960 0.023 0.000 0.208 273 G C 0.698 175.684 174.900 0.143 0.000 1.159 273 G CA 0.658 45.876 45.100 0.196 0.000 0.784 273 G HN 1.002 nan 8.290 nan 0.000 0.535 274 C N -1.358 117.911 119.300 -0.052 0.000 5.885 274 C HA -0.166 4.309 4.460 0.023 0.000 0.328 274 C C 0.832 175.562 174.990 -0.432 0.000 2.430 274 C CA 0.787 59.599 59.018 -0.342 0.000 2.194 274 C CB -1.900 25.497 27.740 -0.573 0.000 3.233 274 C HN 0.597 nan 8.230 nan 0.000 0.263 275 H N 0.125 119.214 119.070 0.033 0.000 2.710 275 H HA 0.484 5.054 4.556 0.023 0.000 0.361 275 H C -0.138 175.141 175.328 -0.081 0.000 1.175 275 H CA 0.118 56.102 56.048 -0.107 0.000 1.206 275 H CB 0.774 30.337 29.762 -0.331 0.000 1.750 275 H HN 0.317 nan 8.280 nan 0.000 0.553 276 T N 2.721 117.261 114.554 -0.023 0.000 2.779 276 T HA 0.214 4.578 4.350 0.023 0.000 0.296 276 T C 0.164 174.798 174.700 -0.110 0.000 0.938 276 T CA 0.154 62.223 62.100 -0.052 0.000 1.119 276 T CB -0.336 68.448 68.868 -0.139 0.000 0.891 276 T HN 0.197 nan 8.240 nan 0.000 0.526 277 F N 1.289 121.197 119.950 -0.069 0.000 2.544 277 F HA 0.637 5.178 4.527 0.023 0.000 0.378 277 F C 1.122 176.881 175.800 -0.069 0.000 1.112 277 F CA -1.334 56.654 58.000 -0.021 0.000 1.115 277 F CB 1.273 40.246 39.000 -0.044 0.000 1.436 277 F HN 0.188 nan 8.300 nan 0.000 0.496 278 R N 0.593 121.156 120.500 0.105 0.000 2.670 278 R HA 0.625 4.980 4.340 0.023 0.000 0.289 278 R C -1.555 174.636 176.300 -0.183 0.000 0.965 278 R CA -0.855 55.166 56.100 -0.130 0.000 0.899 278 R CB 1.833 31.992 30.300 -0.234 0.000 1.173 278 R HN 0.424 nan 8.270 nan 0.000 0.456 279 L N 3.593 124.657 121.223 -0.266 0.000 2.325 279 L HA 0.526 4.880 4.340 0.023 0.000 0.279 279 L C -0.380 176.333 176.870 -0.261 0.000 1.054 279 L CA -0.883 53.806 54.840 -0.252 0.000 0.804 279 L CB 1.197 43.110 42.059 -0.243 0.000 1.200 279 L HN 0.367 nan 8.230 nan 0.000 0.436 280 I N 2.652 123.093 120.570 -0.216 0.000 2.439 280 I HA 0.265 4.449 4.170 0.023 0.000 0.285 280 I C -0.291 175.739 176.117 -0.145 0.000 1.021 280 I CA -0.695 60.484 61.300 -0.202 0.000 1.091 280 I CB 1.309 39.198 38.000 -0.185 0.000 1.242 280 I HN 0.636 nan 8.210 nan 0.000 0.439 281 N N 4.940 123.567 118.700 -0.121 0.000 2.476 281 N HA 0.385 5.139 4.740 0.023 0.000 0.287 281 N C 0.874 176.343 175.510 -0.069 0.000 1.262 281 N CA -0.334 52.664 53.050 -0.086 0.000 0.980 281 N CB 0.606 39.050 38.487 -0.071 0.000 1.163 281 N HN 0.507 nan 8.380 nan 0.000 0.592 282 A N -0.802 121.987 122.820 -0.052 0.000 2.067 282 A HA -0.081 4.253 4.320 0.023 0.000 0.219 282 A C 1.390 178.953 177.584 -0.035 0.000 1.158 282 A CA 1.212 53.224 52.037 -0.042 0.000 0.661 282 A CB -0.686 18.296 19.000 -0.031 0.000 0.801 282 A HN 0.723 nan 8.150 nan 0.000 0.452 283 E N -1.471 118.709 120.200 -0.033 0.000 2.489 283 E HA 0.297 4.661 4.350 0.023 0.000 0.193 283 E C 1.190 177.779 176.600 -0.019 0.000 1.057 283 E CA 0.745 57.130 56.400 -0.024 0.000 0.866 283 E CB 0.009 29.696 29.700 -0.022 0.000 0.916 283 E HN 0.709 nan 8.360 nan 0.000 0.500 284 G N 1.061 109.846 108.800 -0.025 0.000 2.157 284 G HA2 -0.328 3.646 3.960 0.023 0.000 0.239 284 G HA3 -0.328 3.646 3.960 0.023 0.000 0.239 284 G C 0.271 175.185 174.900 0.023 0.000 0.982 284 G CA 0.190 45.294 45.100 0.006 0.000 0.650 284 G HN 0.255 nan 8.290 nan 0.000 0.527 285 K N 0.788 121.164 120.400 -0.040 0.000 2.249 285 K HA 0.679 5.013 4.320 0.023 0.000 0.280 285 K C 0.498 176.963 176.600 -0.224 0.000 1.033 285 K CA 0.187 56.424 56.287 -0.083 0.000 0.946 285 K CB 0.666 33.119 32.500 -0.078 0.000 1.005 285 K HN 0.590 nan 8.250 nan 0.000 0.469 286 A N 3.226 125.803 122.820 -0.405 0.000 2.292 286 A HA 0.440 4.774 4.320 0.023 0.000 0.319 286 A C -0.832 176.430 177.584 -0.536 0.000 1.206 286 A CA -0.549 51.084 52.037 -0.674 0.000 0.835 286 A CB 1.212 19.365 19.000 -1.412 0.000 1.164 286 A HN 0.720 nan 8.150 nan 0.000 0.505 287 T N 2.355 116.634 114.554 -0.458 0.000 2.824 287 T HA 0.541 4.905 4.350 0.023 0.000 0.282 287 T C -0.624 173.855 174.700 -0.368 0.000 0.993 287 T CA -0.077 61.809 62.100 -0.358 0.000 0.967 287 T CB 0.456 69.209 68.868 -0.192 0.000 0.960 287 T HN 0.343 nan 8.240 nan 0.000 0.441 288 F N 2.018 121.872 119.950 -0.161 0.000 2.429 288 F HA 0.529 5.070 4.527 0.023 0.000 0.348 288 F C 0.563 176.243 175.800 -0.201 0.000 1.109 288 F CA -0.412 57.488 58.000 -0.168 0.000 1.232 288 F CB 0.739 39.660 39.000 -0.132 0.000 1.157 288 F HN 0.195 nan 8.300 nan 0.000 0.564 289 V N 4.681 124.564 119.914 -0.051 0.000 2.808 289 V HA 0.595 4.729 4.120 0.023 0.000 0.308 289 V C -1.006 174.861 176.094 -0.379 0.000 1.099 289 V CA -0.719 61.388 62.300 -0.321 0.000 0.920 289 V CB 1.986 33.399 31.823 -0.684 0.000 1.014 289 V HN 0.773 nan 8.190 nan 0.000 0.425 290 R N 4.804 125.131 120.500 -0.288 0.000 2.562 290 R HA 0.575 4.929 4.340 0.023 0.000 0.298 290 R C -1.624 174.598 176.300 -0.130 0.000 0.961 290 R CA -0.479 55.487 56.100 -0.223 0.000 0.881 290 R CB 2.134 32.433 30.300 -0.002 0.000 1.159 290 R HN 0.603 nan 8.270 nan 0.000 0.450 291 F N 1.895 121.898 119.950 0.087 0.000 2.399 291 F HA 0.384 4.925 4.527 0.024 0.000 0.334 291 F C 0.913 176.660 175.800 -0.089 0.000 1.097 291 F CA -0.151 57.872 58.000 0.039 0.000 1.076 291 F CB 0.943 39.852 39.000 -0.152 0.000 1.162 291 F HN 0.189 nan 8.300 nan 0.000 0.495 292 H N 0.872 119.947 119.070 0.008 0.000 2.717 292 H HA 0.230 4.800 4.556 0.024 0.000 0.366 292 H C -1.573 173.529 175.328 -0.376 0.000 1.132 292 H CA -1.009 54.928 56.048 -0.185 0.000 1.180 292 H CB 1.904 31.648 29.762 -0.029 0.000 1.678 292 H HN 0.679 nan 8.280 nan 0.000 0.537 293 W N 2.455 123.630 121.300 -0.210 0.000 2.532 293 W HA 0.322 4.996 4.660 0.023 0.000 0.321 293 W C 0.024 176.569 176.519 0.043 0.000 1.037 293 W CA -0.790 56.504 57.345 -0.085 0.000 1.220 293 W CB 1.711 30.950 29.460 -0.368 0.000 1.361 293 W HN 0.295 nan 8.180 nan 0.000 0.468 294 K N 5.754 126.423 120.400 0.448 0.000 2.213 294 K HA 0.373 4.707 4.320 0.023 0.000 0.270 294 K C -2.371 174.467 176.600 0.397 0.000 1.002 294 K CA -1.830 54.661 56.287 0.339 0.000 0.868 294 K CB 1.326 33.977 32.500 0.252 0.000 1.093 294 K HN 0.054 nan 8.250 nan 0.000 0.454 295 P HA 0.069 nan 4.420 nan 0.000 0.282 295 P C 0.292 177.610 177.300 0.030 0.000 1.274 295 P CA -0.157 63.030 63.100 0.146 0.000 0.770 295 P CB 0.842 32.641 31.700 0.166 0.000 0.867 296 L N 2.716 123.894 121.223 -0.074 0.000 2.465 296 L HA -0.055 4.299 4.340 0.023 0.000 0.224 296 L C 2.186 179.038 176.870 -0.031 0.000 1.145 296 L CA 0.980 55.810 54.840 -0.017 0.000 0.834 296 L CB -0.585 41.473 42.059 -0.001 0.000 0.944 296 L HN 0.351 nan 8.230 nan 0.000 0.451 297 A N 0.031 122.806 122.820 -0.076 0.000 2.238 297 A HA 0.416 4.750 4.320 0.023 0.000 0.208 297 A C 1.250 178.832 177.584 -0.003 0.000 1.177 297 A CA 0.678 52.687 52.037 -0.046 0.000 0.804 297 A CB -0.344 18.609 19.000 -0.079 0.000 0.823 297 A HN 0.452 nan 8.150 nan 0.000 0.482 298 G N -0.704 108.109 108.800 0.021 0.000 2.712 298 G HA2 -0.103 3.872 3.960 0.023 0.000 0.683 298 G HA3 -0.103 3.872 3.960 0.023 0.000 0.683 298 G C -0.709 174.223 174.900 0.054 0.000 1.320 298 G CA -0.487 44.644 45.100 0.052 0.000 0.847 298 G HN 0.439 nan 8.290 nan 0.000 0.553 299 K N 0.095 120.532 120.400 0.062 0.000 2.185 299 K HA 0.751 5.085 4.320 0.023 0.000 0.269 299 K C 0.164 176.764 176.600 0.000 0.000 0.987 299 K CA 0.121 56.430 56.287 0.036 0.000 0.865 299 K CB 1.884 34.391 32.500 0.013 0.000 1.090 299 K HN 1.478 nan 8.250 nan 0.000 0.450 300 A N 1.641 124.448 122.820 -0.023 0.000 2.566 300 A HA 0.617 4.952 4.320 0.023 0.000 0.297 300 A C -1.176 176.452 177.584 0.073 0.000 1.059 300 A CA -0.667 51.314 52.037 -0.094 0.000 0.691 300 A CB 1.772 20.518 19.000 -0.424 0.000 1.282 300 A HN 0.509 nan 8.150 nan 0.000 0.401 301 S N 0.384 116.278 115.700 0.324 0.000 2.632 301 S HA 0.743 5.227 4.470 0.023 0.000 0.289 301 S C -0.132 174.790 174.600 0.537 0.000 1.115 301 S CA -0.621 57.820 58.200 0.402 0.000 0.889 301 S CB 1.192 64.622 63.200 0.382 0.000 1.116 301 S HN 0.659 nan 8.310 nan 0.000 0.486 302 L N 1.393 122.823 121.223 0.345 0.000 2.482 302 L HA 0.510 4.864 4.340 0.023 0.000 0.242 302 L C 0.202 177.202 176.870 0.216 0.000 1.210 302 L CA -0.735 54.233 54.840 0.213 0.000 0.819 302 L CB 0.078 42.170 42.059 0.055 0.000 1.203 302 L HN 0.495 nan 8.230 nan 0.000 0.495 303 V N -2.951 116.988 119.914 0.042 0.000 2.850 303 V HA 0.182 4.316 4.120 0.023 0.000 0.315 303 V C 0.697 176.745 176.094 -0.076 0.000 1.064 303 V CA -0.763 61.533 62.300 -0.007 0.000 0.979 303 V CB 1.607 33.398 31.823 -0.054 0.000 1.039 303 V HN 0.945 nan 8.190 nan 0.000 0.452 304 W N 1.627 122.799 121.300 -0.213 0.000 2.335 304 W HA -0.211 4.463 4.660 0.023 0.000 0.311 304 W C 1.770 178.131 176.519 -0.262 0.000 1.213 304 W CA 2.527 59.738 57.345 -0.223 0.000 1.274 304 W CB -0.070 29.245 29.460 -0.242 0.000 1.148 304 W HN 0.991 nan 8.180 nan 0.000 0.498 305 D N 0.215 120.330 120.400 -0.476 0.000 2.178 305 D HA -0.254 4.400 4.640 0.023 0.000 0.202 305 D C 2.127 178.060 176.300 -0.612 0.000 0.974 305 D CA 1.824 55.487 54.000 -0.562 0.000 0.841 305 D CB -0.412 40.319 40.800 -0.115 0.000 0.953 305 D HN 0.382 nan 8.370 nan 0.000 0.478 306 E N -0.259 119.460 120.200 -0.802 0.000 2.047 306 E HA -0.179 4.185 4.350 0.023 0.000 0.191 306 E C 2.004 178.240 176.600 -0.606 0.000 0.987 306 E CA 1.018 56.858 56.400 -0.933 0.000 0.799 306 E CB -0.195 28.816 29.700 -1.149 0.000 0.752 306 E HN 0.282 nan 8.360 nan 0.000 0.449 307 A N 1.216 123.713 122.820 -0.540 0.000 1.902 307 A HA -0.253 4.081 4.320 0.023 0.000 0.217 307 A C 2.185 179.422 177.584 -0.577 0.000 1.181 307 A CA 1.792 53.561 52.037 -0.446 0.000 0.623 307 A CB -0.671 18.181 19.000 -0.245 0.000 0.818 307 A HN 0.451 nan 8.150 nan 0.000 0.443 308 Q N -0.553 118.683 119.800 -0.941 0.000 2.079 308 Q HA -0.164 4.190 4.340 0.023 0.000 0.200 308 Q C 2.169 177.877 176.000 -0.487 0.000 0.974 308 Q CA 1.702 56.979 55.803 -0.878 0.000 0.840 308 Q CB -0.135 27.775 28.738 -1.380 0.000 0.898 308 Q HN 0.664 nan 8.270 nan 0.000 0.430 309 K N 0.077 120.210 120.400 -0.446 0.000 2.097 309 K HA -0.150 4.184 4.320 0.023 0.000 0.205 309 K C 2.071 178.522 176.600 -0.248 0.000 1.050 309 K CA 0.814 56.937 56.287 -0.273 0.000 0.938 309 K CB -0.070 32.313 32.500 -0.195 0.000 0.718 309 K HN 0.188 nan 8.250 nan 0.000 0.442 310 L N 1.465 122.496 121.223 -0.319 0.000 2.191 310 L HA -0.135 4.219 4.340 0.023 0.000 0.212 310 L C 2.132 178.863 176.870 -0.232 0.000 1.103 310 L CA 2.149 56.802 54.840 -0.312 0.000 0.769 310 L CB -0.872 40.908 42.059 -0.465 0.000 0.908 310 L HN 0.327 nan 8.230 nan 0.000 0.438 311 T N -4.432 109.990 114.554 -0.220 0.000 2.929 311 T HA -0.049 4.316 4.350 0.023 0.000 0.271 311 T C 1.814 176.450 174.700 -0.107 0.000 1.085 311 T CA 0.933 62.946 62.100 -0.144 0.000 1.125 311 T CB -0.878 67.918 68.868 -0.119 0.000 0.874 311 T HN 0.388 nan 8.240 nan 0.000 0.494 312 G N 1.026 109.755 108.800 -0.119 0.000 2.441 312 G HA2 0.024 3.998 3.960 0.023 0.000 0.212 312 G HA3 0.024 3.998 3.960 0.023 0.000 0.212 312 G C 1.890 176.746 174.900 -0.073 0.000 1.164 312 G CA -0.328 44.721 45.100 -0.085 0.000 0.811 312 G HN 0.297 nan 8.290 nan 0.000 0.535 313 R N 0.261 120.708 120.500 -0.089 0.000 2.148 313 R HA 0.055 4.409 4.340 0.023 0.000 0.223 313 R C -0.210 176.065 176.300 -0.042 0.000 1.088 313 R CA 0.723 56.786 56.100 -0.063 0.000 0.985 313 R CB -0.086 30.168 30.300 -0.077 0.000 0.880 313 R HN 0.342 nan 8.270 nan 0.000 0.451 314 D N -0.440 119.930 120.400 -0.050 0.000 2.445 314 D HA 0.120 4.774 4.640 0.023 0.000 0.236 314 D C -2.107 174.196 176.300 0.005 0.000 1.315 314 D CA -1.666 52.339 54.000 0.009 0.000 0.924 314 D CB 1.369 42.224 40.800 0.093 0.000 1.447 314 D HN -0.140 nan 8.370 nan 0.000 0.532 315 P HA -0.017 nan 4.420 nan 0.000 0.228 315 P C 0.058 177.365 177.300 0.011 0.000 1.151 315 P CA 0.635 63.724 63.100 -0.018 0.000 0.770 315 P CB 0.512 32.198 31.700 -0.023 0.000 0.786 316 D N -1.318 119.100 120.400 0.031 0.000 2.427 316 D HA 0.067 4.721 4.640 0.023 0.000 0.224 316 D C 1.197 177.536 176.300 0.065 0.000 1.157 316 D CA -0.422 53.602 54.000 0.039 0.000 0.828 316 D CB -0.586 40.215 40.800 0.002 0.000 0.974 316 D HN 0.123 nan 8.370 nan 0.000 0.498 317 F N 1.145 121.040 119.950 -0.091 0.000 2.126 317 F HA -0.221 4.320 4.527 0.023 0.000 0.299 317 F C 1.993 177.776 175.800 -0.027 0.000 1.096 317 F CA 1.850 59.796 58.000 -0.090 0.000 1.255 317 F CB 0.061 38.956 39.000 -0.175 0.000 0.997 317 F HN 0.121 nan 8.300 nan 0.000 0.479 318 H N -1.381 117.625 119.070 -0.107 0.000 2.436 318 H HA -0.011 4.558 4.556 0.023 0.000 0.294 318 H C 2.309 177.540 175.328 -0.161 0.000 1.048 318 H CA 0.631 56.465 56.048 -0.356 0.000 1.353 318 H CB -0.023 29.353 29.762 -0.643 0.000 1.414 318 H HN 0.176 nan 8.280 nan 0.000 0.536 319 R N 1.282 121.878 120.500 0.159 0.000 2.092 319 R HA -0.097 4.257 4.340 0.023 0.000 0.231 319 R C 2.376 178.783 176.300 0.178 0.000 1.119 319 R CA 1.024 57.274 56.100 0.250 0.000 0.970 319 R CB 0.047 30.480 30.300 0.221 0.000 0.864 319 R HN 0.190 nan 8.270 nan 0.000 0.440 320 R N 0.357 120.881 120.500 0.039 0.000 2.066 320 R HA -0.123 4.231 4.340 0.023 0.000 0.232 320 R C 2.128 178.419 176.300 -0.015 0.000 1.131 320 R CA 1.596 57.695 56.100 -0.001 0.000 0.955 320 R CB -0.210 30.050 30.300 -0.067 0.000 0.851 320 R HN 0.239 nan 8.270 nan 0.000 0.432 321 E N 0.660 120.741 120.200 -0.198 0.000 2.106 321 E HA -0.193 4.171 4.350 0.023 0.000 0.192 321 E C 2.040 178.607 176.600 -0.056 0.000 0.984 321 E CA 0.971 57.228 56.400 -0.238 0.000 0.806 321 E CB -0.043 29.331 29.700 -0.545 0.000 0.750 321 E HN 0.250 nan 8.360 nan 0.000 0.458 322 L N 0.950 122.184 121.223 0.019 0.000 1.994 322 L HA -0.169 4.185 4.340 0.023 0.000 0.208 322 L C 2.247 179.219 176.870 0.170 0.000 1.071 322 L CA 1.912 56.815 54.840 0.105 0.000 0.745 322 L CB -0.925 41.255 42.059 0.202 0.000 0.892 322 L HN 0.324 nan 8.230 nan 0.000 0.431 323 W N 0.850 122.184 121.300 0.056 0.000 2.358 323 W HA -0.207 4.467 4.660 0.023 0.000 0.303 323 W C 2.187 178.736 176.519 0.049 0.000 1.208 323 W CA 2.153 59.544 57.345 0.077 0.000 1.274 323 W CB -0.080 29.428 29.460 0.080 0.000 1.138 323 W HN 0.361 nan 8.180 nan 0.000 0.515 324 E N -0.039 120.339 120.200 0.297 0.000 2.152 324 E HA -0.115 4.249 4.350 0.023 0.000 0.192 324 E C 2.354 178.981 176.600 0.046 0.000 0.983 324 E CA 0.956 57.445 56.400 0.150 0.000 0.818 324 E CB -0.324 29.418 29.700 0.070 0.000 0.758 324 E HN 0.180 nan 8.360 nan 0.000 0.467 325 A N 1.319 124.163 122.820 0.041 0.000 1.902 325 A HA -0.173 4.161 4.320 0.023 0.000 0.217 325 A C 2.156 179.764 177.584 0.040 0.000 1.181 325 A CA 1.057 53.111 52.037 0.028 0.000 0.623 325 A CB -0.513 18.504 19.000 0.029 0.000 0.818 325 A HN 0.130 nan 8.150 nan 0.000 0.443 326 I N -0.507 120.105 120.570 0.070 0.000 2.252 326 I HA -0.222 3.962 4.170 0.023 0.000 0.245 326 I C 2.427 178.606 176.117 0.103 0.000 1.102 326 I CA 1.364 62.751 61.300 0.145 0.000 1.385 326 I CB -0.367 37.651 38.000 0.030 0.000 1.064 326 I HN 0.415 nan 8.210 nan 0.000 0.414 327 E N 0.768 120.981 120.200 0.021 0.000 2.204 327 E HA -0.171 4.193 4.350 0.023 0.000 0.195 327 E C 2.106 178.719 176.600 0.022 0.000 0.990 327 E CA 1.143 57.568 56.400 0.042 0.000 0.821 327 E CB -0.069 29.688 29.700 0.094 0.000 0.750 327 E HN 0.498 nan 8.360 nan 0.000 0.477 328 A N 0.073 122.881 122.820 -0.020 0.000 2.169 328 A HA 0.223 4.557 4.320 0.023 0.000 0.212 328 A C 1.794 179.304 177.584 -0.123 0.000 1.153 328 A CA 0.929 52.934 52.037 -0.054 0.000 0.756 328 A CB -0.073 18.879 19.000 -0.079 0.000 0.813 328 A HN 0.331 nan 8.150 nan 0.000 0.471 329 G N -0.372 108.270 108.800 -0.263 0.000 2.176 329 G HA2 -0.205 3.769 3.960 0.023 0.000 0.253 329 G HA3 -0.205 3.769 3.960 0.023 0.000 0.253 329 G C -0.211 174.179 174.900 -0.851 0.000 0.979 329 G CA 0.232 44.856 45.100 -0.793 0.000 0.641 329 G HN 0.459 nan 8.290 nan 0.000 0.530 330 D N 1.073 121.253 120.400 -0.366 0.000 2.801 330 D HA 0.272 4.926 4.640 0.023 0.000 0.232 330 D C 0.719 176.965 176.300 -0.091 0.000 1.128 330 D CA -0.067 53.820 54.000 -0.189 0.000 1.003 330 D CB -0.718 40.070 40.800 -0.020 0.000 1.110 330 D HN 0.429 nan 8.370 nan 0.000 0.477 331 F N 1.344 121.294 119.950 0.000 0.000 2.578 331 F HA 0.102 4.643 4.527 0.023 0.000 0.381 331 F C -1.382 174.386 175.800 -0.054 0.000 1.069 331 F CA -1.983 56.009 58.000 -0.014 0.000 1.231 331 F CB 0.064 39.066 39.000 0.004 0.000 1.086 331 F HN -0.099 nan 8.300 nan 0.000 0.564 332 P HA 0.019 nan 4.420 nan 0.000 0.263 332 P C -1.109 176.122 177.300 -0.115 0.000 1.195 332 P CA 0.401 63.474 63.100 -0.046 0.000 0.762 332 P CB 0.457 32.221 31.700 0.106 0.000 0.799 333 E N 2.367 122.357 120.200 -0.351 0.000 2.248 333 E HA 0.469 4.833 4.350 0.023 0.000 0.267 333 E C -1.090 175.211 176.600 -0.499 0.000 0.877 333 E CA -0.556 55.702 56.400 -0.236 0.000 0.759 333 E CB 1.492 31.148 29.700 -0.072 0.000 1.182 333 E HN 0.373 nan 8.360 nan 0.000 0.418 334 Y N 0.315 120.689 120.300 0.123 0.000 2.492 334 Y HA 0.249 4.813 4.550 0.024 0.000 0.346 334 Y C -0.294 175.844 175.900 0.396 0.000 0.997 334 Y CA -0.976 57.273 58.100 0.247 0.000 1.025 334 Y CB 2.053 40.617 38.460 0.174 0.000 1.263 334 Y HN 0.464 nan 8.280 nan 0.000 0.454 335 E N 2.663 123.201 120.200 0.563 0.000 2.134 335 E HA 0.406 4.770 4.350 0.023 0.000 0.278 335 E C -1.473 175.423 176.600 0.493 0.000 0.959 335 E CA -0.918 55.769 56.400 0.478 0.000 0.783 335 E CB 1.027 30.939 29.700 0.354 0.000 1.095 335 E HN 0.587 nan 8.360 nan 0.000 0.399 336 L N 4.182 125.614 121.223 0.350 0.000 2.397 336 L HA 0.541 4.895 4.340 0.023 0.000 0.271 336 L C -0.038 176.770 176.870 -0.104 0.000 1.148 336 L CA 0.638 55.366 54.840 -0.185 0.000 0.825 336 L CB 1.124 43.015 42.059 -0.280 0.000 1.117 336 L HN 0.595 nan 8.230 nan 0.000 0.456 337 G N 3.999 112.742 108.800 -0.096 0.000 2.659 337 G HA2 0.551 4.525 3.960 0.023 0.000 0.296 337 G HA3 0.551 4.525 3.960 0.023 0.000 0.296 337 G C -1.703 173.340 174.900 0.238 0.000 1.369 337 G CA -0.535 44.543 45.100 -0.037 0.000 0.937 337 G HN 0.457 nan 8.290 nan 0.000 0.485 338 F N 0.194 120.162 119.950 0.031 0.000 2.507 338 F HA 0.395 4.936 4.527 0.023 0.000 0.325 338 F C 0.334 176.124 175.800 -0.016 0.000 1.116 338 F CA -0.978 57.040 58.000 0.030 0.000 0.930 338 F CB 2.605 41.608 39.000 0.005 0.000 1.146 338 F HN 0.137 nan 8.300 nan 0.000 0.447 339 Q N 4.316 124.238 119.800 0.203 0.000 2.296 339 Q HA 0.489 4.843 4.340 0.023 0.000 0.257 339 Q C -1.038 175.003 176.000 0.069 0.000 0.942 339 Q CA -0.412 55.451 55.803 0.099 0.000 0.939 339 Q CB 2.063 30.861 28.738 0.099 0.000 1.198 339 Q HN 0.528 nan 8.270 nan 0.000 0.429 340 L N 4.443 125.715 121.223 0.082 0.000 2.341 340 L HA 0.600 4.954 4.340 0.023 0.000 0.278 340 L C -0.581 176.342 176.870 0.088 0.000 1.005 340 L CA -0.623 54.254 54.840 0.063 0.000 0.818 340 L CB 1.344 43.450 42.059 0.078 0.000 1.259 340 L HN 0.524 nan 8.230 nan 0.000 0.418 341 I N 4.299 124.936 120.570 0.111 0.000 2.468 341 I HA 0.345 4.529 4.170 0.023 0.000 0.285 341 I C -2.331 173.906 176.117 0.200 0.000 1.039 341 I CA -2.037 59.374 61.300 0.185 0.000 1.074 341 I CB 2.426 40.549 38.000 0.205 0.000 1.228 341 I HN 0.286 nan 8.210 nan 0.000 0.436 342 P HA 0.031 nan 4.420 nan 0.000 0.269 342 P C 0.635 178.001 177.300 0.110 0.000 1.215 342 P CA -0.060 63.078 63.100 0.063 0.000 0.780 342 P CB 0.839 32.570 31.700 0.051 0.000 0.898 343 E N 1.380 121.555 120.200 -0.043 0.000 2.130 343 E HA -0.279 4.085 4.350 0.023 0.000 0.196 343 E C 0.890 177.576 176.600 0.143 0.000 0.998 343 E CA 1.481 57.868 56.400 -0.023 0.000 0.806 343 E CB -0.006 29.592 29.700 -0.170 0.000 0.738 343 E HN 0.431 nan 8.360 nan 0.000 0.459 344 E N 0.507 120.764 120.200 0.094 0.000 2.409 344 E HA -0.129 4.236 4.350 0.023 0.000 0.198 344 E C 0.641 177.306 176.600 0.109 0.000 1.024 344 E CA 1.007 57.469 56.400 0.103 0.000 0.861 344 E CB 0.063 29.803 29.700 0.066 0.000 0.788 344 E HN 0.256 nan 8.360 nan 0.000 0.521 345 D N -0.211 120.260 120.400 0.118 0.000 2.402 345 D HA 0.002 4.656 4.640 0.023 0.000 0.216 345 D C 1.163 177.501 176.300 0.064 0.000 1.128 345 D CA 0.011 54.058 54.000 0.078 0.000 0.833 345 D CB 0.071 40.933 40.800 0.103 0.000 0.971 345 D HN 0.247 nan 8.370 nan 0.000 0.503 346 E N -0.163 120.032 120.200 -0.008 0.000 2.147 346 E HA -0.204 4.160 4.350 0.023 0.000 0.199 346 E C 0.423 176.701 176.600 -0.538 0.000 1.005 346 E CA 1.149 57.313 56.400 -0.394 0.000 0.810 346 E CB 0.010 29.303 29.700 -0.677 0.000 0.736 346 E HN 0.289 nan 8.360 nan 0.000 0.460 347 F N -0.612 119.352 119.950 0.023 0.000 2.647 347 F HA 0.271 4.812 4.527 0.023 0.000 0.300 347 F C 1.186 176.922 175.800 -0.106 0.000 1.106 347 F CA -0.304 57.681 58.000 -0.025 0.000 1.313 347 F CB 0.657 39.650 39.000 -0.013 0.000 1.007 347 F HN -0.196 nan 8.300 nan 0.000 0.536 348 K N 0.105 120.433 120.400 -0.120 0.000 2.417 348 K HA 0.172 4.506 4.320 0.023 0.000 0.196 348 K C -0.424 175.738 176.600 -0.730 0.000 1.023 348 K CA 0.205 56.250 56.287 -0.403 0.000 1.122 348 K CB 0.261 32.451 32.500 -0.517 0.000 0.850 348 K HN 0.135 nan 8.250 nan 0.000 0.521 349 F N -0.215 119.577 119.950 -0.263 0.000 2.575 349 F HA 0.179 4.720 4.527 0.024 0.000 0.330 349 F C 1.195 176.777 175.800 -0.363 0.000 1.056 349 F CA -1.051 56.677 58.000 -0.454 0.000 0.964 349 F CB 0.992 39.325 39.000 -1.111 0.000 1.258 349 F HN -0.195 nan 8.300 nan 0.000 0.484 350 D N 0.515 120.892 120.400 -0.038 0.000 2.348 350 D HA -0.033 4.621 4.640 0.023 0.000 0.216 350 D C -0.150 176.223 176.300 0.122 0.000 0.970 350 D CA 1.141 55.193 54.000 0.086 0.000 0.889 350 D CB -0.195 40.740 40.800 0.224 0.000 0.912 350 D HN 0.249 nan 8.370 nan 0.000 0.524 351 F N -0.978 119.058 119.950 0.144 0.000 2.598 351 F HA 0.475 5.016 4.527 0.023 0.000 0.327 351 F C -0.006 175.785 175.800 -0.016 0.000 1.057 351 F CA -1.643 56.360 58.000 0.004 0.000 0.957 351 F CB 0.798 39.757 39.000 -0.069 0.000 1.278 351 F HN -0.404 nan 8.300 nan 0.000 0.484 352 D N 1.768 122.184 120.400 0.028 0.000 2.312 352 D HA 0.178 4.832 4.640 0.023 0.000 0.252 352 D C 1.078 177.324 176.300 -0.090 0.000 1.150 352 D CA -0.027 53.937 54.000 -0.059 0.000 0.870 352 D CB 1.385 42.162 40.800 -0.039 0.000 1.153 352 D HN 0.751 nan 8.370 nan 0.000 0.457 353 L N 3.449 124.556 121.223 -0.193 0.000 2.187 353 L HA -0.162 4.192 4.340 0.023 0.000 0.213 353 L C 1.999 178.735 176.870 -0.223 0.000 1.100 353 L CA 0.763 55.458 54.840 -0.242 0.000 0.765 353 L CB -0.144 41.610 42.059 -0.509 0.000 0.904 353 L HN 0.466 nan 8.230 nan 0.000 0.437 354 L N -1.002 120.115 121.223 -0.177 0.000 2.591 354 L HA 0.070 4.424 4.340 0.023 0.000 0.228 354 L C 0.434 177.239 176.870 -0.109 0.000 1.133 354 L CA -0.149 54.655 54.840 -0.061 0.000 0.880 354 L CB -0.221 41.910 42.059 0.120 0.000 1.033 354 L HN 0.102 nan 8.230 nan 0.000 0.450 355 D N 1.721 121.828 120.400 -0.488 0.000 2.313 355 D HA 0.122 4.776 4.640 0.023 0.000 0.239 355 D C -1.616 174.467 176.300 -0.362 0.000 1.142 355 D CA -2.253 51.222 54.000 -0.876 0.000 0.847 355 D CB 1.666 41.692 40.800 -1.290 0.000 1.082 355 D HN -0.076 nan 8.370 nan 0.000 0.480 356 P HA -0.024 nan 4.420 nan 0.000 0.245 356 P C 0.822 178.030 177.300 -0.153 0.000 1.212 356 P CA 0.490 63.529 63.100 -0.102 0.000 0.774 356 P CB -0.004 31.727 31.700 0.052 0.000 0.999 357 T N -4.197 110.257 114.554 -0.166 0.000 3.107 357 T HA 0.141 4.505 4.350 0.023 0.000 0.249 357 T C 0.745 175.357 174.700 -0.146 0.000 1.096 357 T CA -0.036 61.976 62.100 -0.147 0.000 1.012 357 T CB -0.217 68.609 68.868 -0.070 0.000 0.977 357 T HN -0.136 nan 8.240 nan 0.000 0.527 358 K N 2.073 122.287 120.400 -0.309 0.000 2.221 358 K HA 0.573 4.908 4.320 0.023 0.000 0.258 358 K C -0.280 176.126 176.600 -0.322 0.000 0.944 358 K CA -0.878 55.086 56.287 -0.538 0.000 0.823 358 K CB 2.111 34.165 32.500 -0.743 0.000 1.113 358 K HN 0.295 nan 8.250 nan 0.000 0.431 359 L N -0.389 120.783 121.223 -0.085 0.000 2.387 359 L HA 0.644 4.998 4.340 0.023 0.000 0.266 359 L C 0.018 176.696 176.870 -0.321 0.000 1.059 359 L CA -0.494 54.251 54.840 -0.159 0.000 0.801 359 L CB 0.288 42.338 42.059 -0.016 0.000 1.223 359 L HN 0.439 nan 8.230 nan 0.000 0.456 360 I N 1.397 121.877 120.570 -0.150 0.000 2.307 360 I HA 0.368 4.552 4.170 0.023 0.000 0.289 360 I C -2.130 174.010 176.117 0.038 0.000 1.021 360 I CA -1.685 59.580 61.300 -0.058 0.000 1.224 360 I CB 1.197 39.184 38.000 -0.022 0.000 1.376 360 I HN 0.448 nan 8.210 nan 0.000 0.470 361 P HA 0.055 nan 4.420 nan 0.000 0.268 361 P C 0.260 177.635 177.300 0.126 0.000 1.204 361 P CA -0.012 63.146 63.100 0.096 0.000 0.768 361 P CB 0.615 32.368 31.700 0.089 0.000 0.842 362 E N 1.637 121.916 120.200 0.132 0.000 2.268 362 E HA -0.186 4.178 4.350 0.023 0.000 0.195 362 E C 1.331 177.990 176.600 0.097 0.000 0.995 362 E CA 0.735 57.199 56.400 0.107 0.000 0.836 362 E CB -0.038 29.724 29.700 0.103 0.000 0.763 362 E HN 0.509 nan 8.360 nan 0.000 0.491 363 E N 0.422 120.682 120.200 0.099 0.000 2.204 363 E HA -0.132 4.232 4.350 0.023 0.000 0.195 363 E C 2.008 178.676 176.600 0.113 0.000 0.990 363 E CA 0.715 57.169 56.400 0.090 0.000 0.821 363 E CB 0.101 29.848 29.700 0.079 0.000 0.750 363 E HN 0.378 nan 8.360 nan 0.000 0.477 364 L N -0.436 120.879 121.223 0.153 0.000 2.168 364 L HA 0.055 4.409 4.340 0.023 0.000 0.203 364 L C 0.636 177.633 176.870 0.211 0.000 1.078 364 L CA 0.450 55.420 54.840 0.217 0.000 0.780 364 L CB 0.426 42.694 42.059 0.349 0.000 0.939 364 L HN -0.204 nan 8.230 nan 0.000 0.451 365 V N 0.618 120.634 119.914 0.170 0.000 2.419 365 V HA 0.327 4.461 4.120 0.023 0.000 0.287 365 V C -2.449 173.696 176.094 0.084 0.000 1.017 365 V CA -1.414 60.967 62.300 0.135 0.000 0.844 365 V CB 1.463 33.358 31.823 0.119 0.000 1.011 365 V HN -0.047 nan 8.190 nan 0.000 0.429 366 P HA 0.171 nan 4.420 nan 0.000 0.272 366 P C -0.341 176.960 177.300 0.001 0.000 1.223 366 P CA -0.116 63.006 63.100 0.036 0.000 0.784 366 P CB 0.725 32.450 31.700 0.042 0.000 0.923 367 V N 3.501 123.381 119.914 -0.057 0.000 2.455 367 V HA 0.054 4.188 4.120 0.023 0.000 0.273 367 V C 0.573 176.655 176.094 -0.020 0.000 1.045 367 V CA 0.141 62.376 62.300 -0.110 0.000 0.976 367 V CB -0.015 31.657 31.823 -0.251 0.000 0.993 367 V HN 0.465 nan 8.190 nan 0.000 0.475 368 Q N 4.992 124.802 119.800 0.017 0.000 2.274 368 Q HA 0.391 4.745 4.340 0.023 0.000 0.256 368 Q C -0.230 175.760 176.000 -0.017 0.000 0.927 368 Q CA -0.516 55.298 55.803 0.019 0.000 0.939 368 Q CB 1.529 30.296 28.738 0.047 0.000 1.201 368 Q HN 0.627 nan 8.270 nan 0.000 0.426 369 R N 1.265 121.780 120.500 0.025 0.000 2.537 369 R HA 0.090 4.444 4.340 0.023 0.000 0.280 369 R C 0.391 176.722 176.300 0.052 0.000 1.058 369 R CA -0.140 56.015 56.100 0.091 0.000 1.057 369 R CB 0.574 30.998 30.300 0.207 0.000 0.973 369 R HN 0.419 nan 8.270 nan 0.000 0.438 370 V N 0.787 120.651 119.914 -0.083 0.000 3.250 370 V HA 0.328 4.462 4.120 0.023 0.000 0.240 370 V C 0.709 176.561 176.094 -0.402 0.000 1.275 370 V CA 0.997 63.124 62.300 -0.289 0.000 1.206 370 V CB 1.046 32.420 31.823 -0.748 0.000 0.976 370 V HN 1.030 nan 8.190 nan 0.000 0.467 371 G N -0.214 108.217 108.800 -0.615 0.000 2.342 371 G HA2 0.478 4.452 3.960 0.023 0.000 0.297 371 G HA3 0.478 4.452 3.960 0.023 0.000 0.297 371 G C -1.885 172.638 174.900 -0.629 0.000 1.313 371 G CA -0.513 43.886 45.100 -1.169 0.000 0.830 371 G HN 0.067 nan 8.290 nan 0.000 0.506 372 K N -0.459 119.607 120.400 -0.557 0.000 2.378 372 K HA 0.732 5.066 4.320 0.023 0.000 0.252 372 K C -0.893 175.763 176.600 0.092 0.000 0.931 372 K CA -0.808 55.466 56.287 -0.021 0.000 0.794 372 K CB 2.096 34.625 32.500 0.049 0.000 1.181 372 K HN 0.624 nan 8.250 nan 0.000 0.425 373 M N 4.420 124.212 119.600 0.319 0.000 2.383 373 M HA 0.428 4.922 4.480 0.023 0.000 0.325 373 M C -1.750 174.538 176.300 -0.020 0.000 1.092 373 M CA -0.761 54.656 55.300 0.194 0.000 0.961 373 M CB 1.801 34.548 32.600 0.245 0.000 1.672 373 M HN 0.355 nan 8.290 nan 0.000 0.438 374 V N 6.170 125.907 119.914 -0.295 0.000 2.487 374 V HA 0.450 4.584 4.120 0.023 0.000 0.298 374 V C -0.652 175.307 176.094 -0.225 0.000 1.028 374 V CA -0.695 61.440 62.300 -0.275 0.000 0.860 374 V CB 1.792 33.325 31.823 -0.483 0.000 0.991 374 V HN 0.803 nan 8.190 nan 0.000 0.427 375 L N 5.597 126.773 121.223 -0.079 0.000 2.262 375 L HA 0.530 4.884 4.340 0.023 0.000 0.288 375 L C 0.383 177.162 176.870 -0.151 0.000 1.035 375 L CA -0.323 54.472 54.840 -0.075 0.000 0.820 375 L CB 1.138 43.204 42.059 0.012 0.000 1.204 375 L HN 0.858 nan 8.230 nan 0.000 0.424 376 N N 2.568 121.094 118.700 -0.290 0.000 2.184 376 N HA 0.145 4.899 4.740 0.023 0.000 0.234 376 N C -0.098 175.233 175.510 -0.298 0.000 1.282 376 N CA -0.416 52.211 53.050 -0.706 0.000 0.877 376 N CB 0.801 38.527 38.487 -1.268 0.000 1.184 376 N HN 0.495 nan 8.380 nan 0.000 0.510 377 R N 0.221 120.650 120.500 -0.117 0.000 2.535 377 R HA 0.309 4.663 4.340 0.023 0.000 0.274 377 R C -1.271 174.982 176.300 -0.078 0.000 1.090 377 R CA -0.548 55.501 56.100 -0.084 0.000 0.930 377 R CB 1.289 31.544 30.300 -0.074 0.000 1.223 377 R HN 0.051 nan 8.270 nan 0.000 0.441 378 N N 3.261 121.797 118.700 -0.274 0.000 2.424 378 N HA 0.287 5.041 4.740 0.023 0.000 0.257 378 N C -2.283 173.164 175.510 -0.105 0.000 1.250 378 N CA -1.197 51.555 53.050 -0.496 0.000 0.946 378 N CB 0.568 38.112 38.487 -1.572 0.000 1.175 378 N HN 0.337 nan 8.380 nan 0.000 0.477 379 P HA 0.086 nan 4.420 nan 0.000 0.272 379 P C 0.131 177.619 177.300 0.314 0.000 1.254 379 P CA -0.063 63.234 63.100 0.327 0.000 0.795 379 P CB 1.025 32.967 31.700 0.403 0.000 1.022 380 D N -1.057 119.501 120.400 0.264 0.000 2.197 380 D HA -0.019 4.635 4.640 0.023 0.000 0.212 380 D C 0.480 176.958 176.300 0.296 0.000 0.963 380 D CA 1.365 55.513 54.000 0.247 0.000 0.864 380 D CB 0.167 41.053 40.800 0.143 0.000 1.009 380 D HN 0.391 nan 8.370 nan 0.000 0.479 381 N N -0.275 118.594 118.700 0.281 0.000 2.410 381 N HA 0.010 4.764 4.740 0.023 0.000 0.287 381 N C -0.000 175.727 175.510 0.362 0.000 1.044 381 N CA -0.342 52.888 53.050 0.301 0.000 0.881 381 N CB 1.663 40.292 38.487 0.236 0.000 1.405 381 N HN -0.150 nan 8.380 nan 0.000 0.490 382 F N 4.352 124.460 119.950 0.263 0.000 2.075 382 F HA -0.152 4.388 4.527 0.022 0.000 0.297 382 F C 1.741 177.685 175.800 0.240 0.000 1.113 382 F CA 1.459 59.619 58.000 0.266 0.000 1.218 382 F CB -0.146 38.984 39.000 0.216 0.000 0.984 382 F HN 0.608 nan 8.300 nan 0.000 0.472 383 F N 0.943 121.155 119.950 0.436 0.000 2.095 383 F HA -0.212 4.329 4.527 0.024 0.000 0.298 383 F C 2.300 178.167 175.800 0.113 0.000 1.104 383 F CA 1.917 60.080 58.000 0.271 0.000 1.232 383 F CB -0.919 38.212 39.000 0.219 0.000 0.987 383 F HN 0.018 nan 8.300 nan 0.000 0.475 384 A N -0.464 122.504 122.820 0.247 0.000 1.930 384 A HA -0.148 4.186 4.320 0.023 0.000 0.217 384 A C 2.085 179.605 177.584 -0.106 0.000 1.175 384 A CA 1.936 54.022 52.037 0.082 0.000 0.627 384 A CB -0.648 18.455 19.000 0.172 0.000 0.815 384 A HN 0.586 nan 8.150 nan 0.000 0.443 385 E N -1.276 118.881 120.200 -0.071 0.000 2.132 385 E HA -0.064 4.300 4.350 0.023 0.000 0.193 385 E C 1.959 178.474 176.600 -0.142 0.000 0.951 385 E CA 0.510 56.802 56.400 -0.179 0.000 0.843 385 E CB -0.102 29.545 29.700 -0.089 0.000 0.807 385 E HN 0.571 nan 8.360 nan 0.000 0.467 386 N N 1.295 119.911 118.700 -0.141 0.000 2.182 386 N HA -0.155 4.599 4.740 0.023 0.000 0.186 386 N C 1.819 177.170 175.510 -0.266 0.000 1.036 386 N CA 1.325 54.246 53.050 -0.215 0.000 0.850 386 N CB 0.052 38.017 38.487 -0.870 0.000 1.010 386 N HN -0.072 nan 8.380 nan 0.000 0.432 387 E N 0.796 120.772 120.200 -0.374 0.000 2.118 387 E HA -0.108 4.256 4.350 0.023 0.000 0.195 387 E C 1.552 177.967 176.600 -0.308 0.000 0.992 387 E CA 1.489 57.737 56.400 -0.254 0.000 0.804 387 E CB -0.148 29.418 29.700 -0.223 0.000 0.741 387 E HN 0.505 nan 8.360 nan 0.000 0.458 388 Q N -0.354 119.193 119.800 -0.422 0.000 2.403 388 Q HA 0.270 4.624 4.340 0.023 0.000 0.203 388 Q C -0.078 175.805 176.000 -0.196 0.000 0.932 388 Q CA 0.153 55.758 55.803 -0.330 0.000 0.945 388 Q CB 0.588 29.111 28.738 -0.358 0.000 1.045 388 Q HN 0.214 nan 8.270 nan 0.000 0.511 389 A N 1.118 123.848 122.820 -0.150 0.000 2.462 389 A HA 0.501 4.835 4.320 0.023 0.000 0.243 389 A C -0.172 177.315 177.584 -0.163 0.000 1.076 389 A CA 0.086 52.013 52.037 -0.182 0.000 0.773 389 A CB 0.311 19.283 19.000 -0.048 0.000 1.010 389 A HN 0.272 nan 8.150 nan 0.000 0.493 390 A N 2.011 124.675 122.820 -0.260 0.000 2.319 390 A HA 0.728 5.062 4.320 0.023 0.000 0.310 390 A C -0.851 176.597 177.584 -0.227 0.000 1.152 390 A CA -0.402 51.547 52.037 -0.146 0.000 0.783 390 A CB 0.419 19.334 19.000 -0.143 0.000 1.184 390 A HN 0.656 nan 8.150 nan 0.000 0.474 391 F N 0.922 120.879 119.950 0.013 0.000 2.492 391 F HA 0.669 5.210 4.527 0.023 0.000 0.327 391 F C 0.236 176.008 175.800 -0.047 0.000 1.079 391 F CA -0.171 57.812 58.000 -0.028 0.000 0.967 391 F CB 2.212 41.139 39.000 -0.121 0.000 1.169 391 F HN 0.768 nan 8.300 nan 0.000 0.472 392 H N 3.020 121.945 119.070 -0.242 0.000 3.026 392 H HA 0.307 4.877 4.556 0.024 0.000 0.352 392 H C -2.512 172.436 175.328 -0.634 0.000 1.090 392 H CA -1.804 53.869 56.048 -0.625 0.000 1.268 392 H CB 2.927 32.224 29.762 -0.775 0.000 1.816 392 H HN 0.185 nan 8.280 nan 0.000 0.518 393 P HA 0.050 nan 4.420 nan 0.000 0.236 393 P C 1.085 178.266 177.300 -0.199 0.000 1.177 393 P CA 1.053 63.831 63.100 -0.537 0.000 0.773 393 P CB 0.209 31.647 31.700 -0.436 0.000 0.878 394 G N -0.700 107.812 108.800 -0.479 0.000 2.559 394 G HA2 -0.166 3.809 3.960 0.023 0.000 0.216 394 G HA3 -0.166 3.809 3.960 0.023 0.000 0.216 394 G C 0.495 175.641 174.900 0.409 0.000 1.126 394 G CA 0.059 45.273 45.100 0.191 0.000 0.778 394 G HN 0.440 nan 8.290 nan 0.000 0.543 395 H N 0.749 119.946 119.070 0.212 0.000 3.092 395 H HA 0.333 4.902 4.556 0.023 0.000 0.263 395 H C 0.611 176.041 175.328 0.169 0.000 1.611 395 H CA -0.807 55.326 56.048 0.141 0.000 1.457 395 H CB -0.087 29.721 29.762 0.078 0.000 1.731 395 H HN 0.372 nan 8.280 nan 0.000 0.532 396 I N -0.465 120.224 120.570 0.198 0.000 3.205 396 I HA 0.668 4.852 4.170 0.023 0.000 0.310 396 I C -0.079 176.012 176.117 -0.042 0.000 1.089 396 I CA -1.386 59.948 61.300 0.056 0.000 1.023 396 I CB 1.785 39.700 38.000 -0.142 0.000 1.269 396 I HN 0.093 nan 8.210 nan 0.000 0.512 397 V N -2.277 117.594 119.914 -0.072 0.000 3.102 397 V HA 0.666 4.800 4.120 0.023 0.000 0.312 397 V C -2.855 173.338 176.094 0.165 0.000 1.135 397 V CA -2.520 59.804 62.300 0.039 0.000 1.022 397 V CB 1.026 32.855 31.823 0.008 0.000 1.056 397 V HN 0.628 nan 8.190 nan 0.000 0.436 398 P HA 0.369 nan 4.420 nan 0.000 0.265 398 P C 0.926 178.223 177.300 -0.006 0.000 1.193 398 P CA 1.940 65.113 63.100 0.122 0.000 0.765 398 P CB 0.727 32.468 31.700 0.068 0.000 0.823 399 G N 1.553 110.304 108.800 -0.082 0.000 2.213 399 G HA2 -0.170 3.804 3.960 0.023 0.000 0.226 399 G HA3 -0.170 3.804 3.960 0.023 0.000 0.226 399 G C -0.247 174.563 174.900 -0.149 0.000 0.992 399 G CA -0.399 44.631 45.100 -0.116 0.000 0.632 399 G HN 0.449 nan 8.290 nan 0.000 0.511 400 L N 0.159 121.306 121.223 -0.127 0.000 2.333 400 L HA 0.896 5.250 4.340 0.023 0.000 0.269 400 L C -0.443 176.374 176.870 -0.089 0.000 1.010 400 L CA -1.038 53.707 54.840 -0.158 0.000 0.818 400 L CB 2.013 43.896 42.059 -0.293 0.000 1.306 400 L HN 0.097 nan 8.230 nan 0.000 0.430 401 D N -0.427 119.909 120.400 -0.106 0.000 2.677 401 D HA 0.480 5.134 4.640 0.023 0.000 0.298 401 D C -1.179 175.076 176.300 -0.075 0.000 1.250 401 D CA -0.342 53.565 54.000 -0.154 0.000 0.888 401 D CB 1.997 42.784 40.800 -0.023 0.000 1.397 401 D HN 0.115 nan 8.370 nan 0.000 0.461 402 F N -0.252 119.825 119.950 0.213 0.000 2.321 402 F HA 0.526 5.067 4.527 0.023 0.000 0.318 402 F C 1.424 177.242 175.800 0.029 0.000 1.129 402 F CA -0.348 57.703 58.000 0.085 0.000 1.074 402 F CB 1.162 40.181 39.000 0.033 0.000 1.432 402 F HN 0.191 nan 8.300 nan 0.000 0.502 403 T N -3.249 111.394 114.554 0.149 0.000 2.831 403 T HA 0.301 4.665 4.350 0.023 0.000 0.287 403 T C -0.033 174.697 174.700 0.050 0.000 1.070 403 T CA -0.991 61.182 62.100 0.121 0.000 1.010 403 T CB 1.189 70.111 68.868 0.089 0.000 1.264 403 T HN 0.349 nan 8.240 nan 0.000 0.532 404 N N 1.214 119.954 118.700 0.065 0.000 2.515 404 N HA 0.040 4.794 4.740 0.023 0.000 0.191 404 N C 0.115 175.630 175.510 0.008 0.000 1.182 404 N CA 0.127 53.196 53.050 0.030 0.000 0.879 404 N CB -0.499 38.025 38.487 0.062 0.000 0.984 404 N HN 0.688 nan 8.380 nan 0.000 0.453 405 D N 2.095 122.481 120.400 -0.024 0.000 2.662 405 D HA -0.086 4.568 4.640 0.023 0.000 0.233 405 D C -1.461 174.824 176.300 -0.025 0.000 1.129 405 D CA -0.772 53.232 54.000 0.007 0.000 0.851 405 D CB 1.271 42.005 40.800 -0.110 0.000 1.152 405 D HN 0.161 nan 8.370 nan 0.000 0.507 406 P HA -0.051 nan 4.420 nan 0.000 0.245 406 P C 1.396 178.711 177.300 0.024 0.000 1.206 406 P CA 0.013 63.124 63.100 0.020 0.000 0.781 406 P CB 0.478 32.183 31.700 0.009 0.000 0.994 407 L N -0.100 121.152 121.223 0.048 0.000 2.130 407 L HA 0.056 4.410 4.340 0.023 0.000 0.200 407 L C 2.384 179.174 176.870 -0.133 0.000 1.075 407 L CA 1.092 55.957 54.840 0.041 0.000 0.768 407 L CB -1.461 40.708 42.059 0.184 0.000 0.933 407 L HN -0.190 nan 8.230 nan 0.000 0.451 408 L N -0.406 120.569 121.223 -0.413 0.000 2.043 408 L HA -0.259 4.095 4.340 0.023 0.000 0.212 408 L C 2.443 179.065 176.870 -0.413 0.000 1.075 408 L CA 1.881 56.276 54.840 -0.742 0.000 0.752 408 L CB -0.822 40.498 42.059 -1.230 0.000 0.891 408 L HN 0.385 nan 8.230 nan 0.000 0.432 409 Q N -0.290 119.338 119.800 -0.287 0.000 2.124 409 Q HA -0.137 4.217 4.340 0.023 0.000 0.202 409 Q C 2.109 178.030 176.000 -0.133 0.000 0.977 409 Q CA 1.659 57.331 55.803 -0.218 0.000 0.850 409 Q CB -0.647 28.015 28.738 -0.126 0.000 0.901 409 Q HN 0.729 nan 8.270 nan 0.000 0.429 410 G N 0.502 109.255 108.800 -0.078 0.000 2.403 410 G HA2 -0.203 3.771 3.960 0.023 0.000 0.216 410 G HA3 -0.203 3.771 3.960 0.023 0.000 0.216 410 G C 1.528 176.446 174.900 0.030 0.000 1.154 410 G CA 0.118 45.220 45.100 0.004 0.000 0.784 410 G HN 0.233 nan 8.290 nan 0.000 0.538 411 R N -0.059 120.405 120.500 -0.059 0.000 2.103 411 R HA -0.023 4.331 4.340 0.023 0.000 0.242 411 R C 2.555 178.934 176.300 0.132 0.000 1.142 411 R CA 1.103 57.224 56.100 0.036 0.000 0.960 411 R CB -0.551 29.722 30.300 -0.045 0.000 0.858 411 R HN 0.340 nan 8.270 nan 0.000 0.439 412 L N -0.370 120.826 121.223 -0.046 0.000 2.129 412 L HA -0.233 4.121 4.340 0.023 0.000 0.212 412 L C 2.334 179.343 176.870 0.232 0.000 1.087 412 L CA 1.238 56.081 54.840 0.004 0.000 0.757 412 L CB -0.510 41.401 42.059 -0.246 0.000 0.896 412 L HN 0.170 nan 8.230 nan 0.000 0.434 413 F N 0.159 120.144 119.950 0.058 0.000 2.113 413 F HA -0.205 4.336 4.527 0.023 0.000 0.297 413 F C 2.807 178.649 175.800 0.069 0.000 1.103 413 F CA 1.676 59.704 58.000 0.047 0.000 1.248 413 F CB -0.262 38.746 39.000 0.013 0.000 0.999 413 F HN -0.042 nan 8.300 nan 0.000 0.475 414 S N -0.907 114.811 115.700 0.030 0.000 2.371 414 S HA -0.198 4.286 4.470 0.023 0.000 0.224 414 S C 2.020 176.495 174.600 -0.209 0.000 1.029 414 S CA 1.284 59.388 58.200 -0.159 0.000 0.978 414 S CB -0.761 62.357 63.200 -0.136 0.000 0.833 414 S HN 0.524 nan 8.310 nan 0.000 0.466 415 Y N 1.903 122.214 120.300 0.018 0.000 2.439 415 Y HA -0.036 4.529 4.550 0.024 0.000 0.292 415 Y C 2.950 178.521 175.900 -0.549 0.000 1.130 415 Y CA 1.264 59.377 58.100 0.021 0.000 1.254 415 Y CB -0.482 39.033 38.460 1.757 0.000 1.000 415 Y HN 0.505 nan 8.280 nan 0.000 0.554 416 T N -2.950 111.219 114.554 -0.643 0.000 2.894 416 T HA -0.137 4.227 4.350 0.023 0.000 0.258 416 T C 1.540 176.034 174.700 -0.344 0.000 1.043 416 T CA 1.154 62.988 62.100 -0.444 0.000 1.141 416 T CB -0.501 68.171 68.868 -0.327 0.000 0.873 416 T HN 0.240 nan 8.240 nan 0.000 0.449 417 D N 1.462 121.595 120.400 -0.444 0.000 2.106 417 D HA -0.161 4.493 4.640 0.023 0.000 0.191 417 D C 2.269 178.409 176.300 -0.266 0.000 0.997 417 D CA 1.979 55.739 54.000 -0.400 0.000 0.834 417 D CB -0.856 39.523 40.800 -0.703 0.000 0.956 417 D HN 0.371 nan 8.370 nan 0.000 0.448 418 T N -1.023 113.366 114.554 -0.275 0.000 2.849 418 T HA -0.150 4.214 4.350 0.023 0.000 0.270 418 T C 1.626 176.196 174.700 -0.216 0.000 1.066 418 T CA 1.249 63.227 62.100 -0.203 0.000 1.130 418 T CB -0.234 68.514 68.868 -0.200 0.000 0.864 418 T HN 0.170 nan 8.240 nan 0.000 0.481 419 Q N 0.578 120.174 119.800 -0.340 0.000 2.291 419 Q HA 0.014 4.368 4.340 0.023 0.000 0.205 419 Q C 2.221 178.093 176.000 -0.213 0.000 0.970 419 Q CA 0.691 56.236 55.803 -0.430 0.000 0.876 419 Q CB -0.408 27.650 28.738 -1.134 0.000 0.935 419 Q HN 0.515 nan 8.270 nan 0.000 0.455 420 I N 0.972 121.472 120.570 -0.116 0.000 2.394 420 I HA -0.186 3.998 4.170 0.023 0.000 0.251 420 I C 2.261 178.370 176.117 -0.012 0.000 1.136 420 I CA 1.536 62.829 61.300 -0.012 0.000 1.425 420 I CB -1.228 36.773 38.000 0.002 0.000 1.079 420 I HN 0.186 nan 8.210 nan 0.000 0.425 421 S N 0.342 116.021 115.700 -0.034 0.000 2.412 421 S HA -0.049 4.435 4.470 0.023 0.000 0.223 421 S C 2.166 176.753 174.600 -0.021 0.000 1.048 421 S CA 0.078 58.270 58.200 -0.014 0.000 0.954 421 S CB -0.361 62.834 63.200 -0.007 0.000 0.840 421 S HN 0.271 nan 8.310 nan 0.000 0.503 422 R N 0.930 121.398 120.500 -0.053 0.000 2.091 422 R HA 0.122 4.476 4.340 0.023 0.000 0.238 422 R C 1.365 177.640 176.300 -0.042 0.000 1.136 422 R CA 1.552 57.622 56.100 -0.050 0.000 0.959 422 R CB -0.261 29.987 30.300 -0.087 0.000 0.856 422 R HN 0.455 nan 8.270 nan 0.000 0.437 423 L N -1.039 120.147 121.223 -0.062 0.000 2.857 423 L HA 0.323 4.677 4.340 0.023 0.000 0.249 423 L C 0.823 177.705 176.870 0.019 0.000 1.172 423 L CA 0.298 55.119 54.840 -0.031 0.000 0.980 423 L CB 1.223 43.251 42.059 -0.052 0.000 1.299 423 L HN 0.589 nan 8.230 nan 0.000 0.535 424 G N -0.054 108.758 108.800 0.021 0.000 2.176 424 G HA2 -0.129 3.845 3.960 0.023 0.000 0.253 424 G HA3 -0.129 3.845 3.960 0.023 0.000 0.253 424 G C 0.448 175.385 174.900 0.062 0.000 0.979 424 G CA -0.007 45.116 45.100 0.038 0.000 0.641 424 G HN 0.771 nan 8.290 nan 0.000 0.530 425 G N -1.529 107.327 108.800 0.092 0.000 2.343 425 G HA2 0.595 4.569 3.960 0.023 0.000 0.289 425 G HA3 0.595 4.569 3.960 0.023 0.000 0.289 425 G C -2.426 172.603 174.900 0.214 0.000 1.295 425 G CA 0.412 45.583 45.100 0.119 0.000 0.869 425 G HN 0.471 nan 8.290 nan 0.000 0.522 426 P HA 0.165 nan 4.420 nan 0.000 0.261 426 P C 0.134 177.464 177.300 0.050 0.000 1.268 426 P CA 0.186 63.393 63.100 0.177 0.000 0.833 426 P CB 0.272 32.029 31.700 0.096 0.000 1.231 427 N N 0.604 119.327 118.700 0.038 0.000 2.378 427 N HA 0.065 4.819 4.740 0.023 0.000 0.243 427 N C 0.989 176.361 175.510 -0.231 0.000 1.137 427 N CA -0.154 52.813 53.050 -0.138 0.000 0.862 427 N CB -0.566 37.869 38.487 -0.086 0.000 1.116 427 N HN 0.282 nan 8.380 nan 0.000 0.499 428 F N 0.531 120.453 119.950 -0.047 0.000 2.451 428 F HA -0.024 4.516 4.527 0.022 0.000 0.299 428 F C 2.212 177.937 175.800 -0.125 0.000 1.101 428 F CA 0.604 58.549 58.000 -0.091 0.000 1.436 428 F CB -0.671 38.297 39.000 -0.054 0.000 1.074 428 F HN 0.165 nan 8.300 nan 0.000 0.553 429 H N 0.400 119.096 119.070 -0.623 0.000 2.546 429 H HA 0.064 4.635 4.556 0.024 0.000 0.277 429 H C 0.812 175.985 175.328 -0.260 0.000 1.004 429 H CA 1.300 57.079 56.048 -0.447 0.000 1.231 429 H CB -0.675 28.674 29.762 -0.689 0.000 1.382 429 H HN 0.527 nan 8.280 nan 0.000 0.580 430 E N 0.976 120.754 120.200 -0.704 0.000 2.474 430 E HA 0.169 4.533 4.350 0.023 0.000 0.194 430 E C 0.334 176.815 176.600 -0.198 0.000 1.041 430 E CA -0.269 55.886 56.400 -0.408 0.000 0.874 430 E CB 0.483 29.948 29.700 -0.391 0.000 0.914 430 E HN 0.453 nan 8.360 nan 0.000 0.498 431 I N 2.779 123.250 120.570 -0.166 0.000 2.668 431 I HA -0.051 4.133 4.170 0.023 0.000 0.285 431 I C -1.589 174.464 176.117 -0.106 0.000 1.168 431 I CA -1.365 59.867 61.300 -0.113 0.000 1.424 431 I CB 0.471 38.417 38.000 -0.089 0.000 1.377 431 I HN -0.192 nan 8.210 nan 0.000 0.560 432 P HA -0.248 nan 4.420 nan 0.000 0.216 432 P C 1.750 178.976 177.300 -0.124 0.000 1.157 432 P CA 1.301 64.343 63.100 -0.097 0.000 0.880 432 P CB 0.169 31.820 31.700 -0.082 0.000 0.791 433 I N -0.947 119.521 120.570 -0.170 0.000 2.454 433 I HA -0.179 4.005 4.170 0.023 0.000 0.254 433 I C 1.267 177.304 176.117 -0.134 0.000 1.156 433 I CA 1.693 62.842 61.300 -0.252 0.000 1.433 433 I CB -0.567 37.163 38.000 -0.450 0.000 1.082 433 I HN -0.120 nan 8.210 nan 0.000 0.432 434 N N 0.623 119.263 118.700 -0.100 0.000 2.412 434 N HA 0.062 4.816 4.740 0.023 0.000 0.184 434 N C 0.250 175.765 175.510 0.008 0.000 1.101 434 N CA 0.175 53.195 53.050 -0.051 0.000 0.881 434 N CB -0.052 38.422 38.487 -0.021 0.000 0.969 434 N HN 0.362 nan 8.380 nan 0.000 0.459 435 R N 1.477 121.980 120.500 0.005 0.000 2.590 435 R HA 0.151 4.506 4.340 0.023 0.000 0.274 435 R C -2.224 174.139 176.300 0.105 0.000 1.061 435 R CA -1.134 54.974 56.100 0.014 0.000 1.081 435 R CB -0.038 30.257 30.300 -0.008 0.000 0.984 435 R HN 0.015 nan 8.270 nan 0.000 0.448 436 P HA 0.002 nan 4.420 nan 0.000 0.272 436 P C 0.562 177.939 177.300 0.130 0.000 1.223 436 P CA -0.062 63.117 63.100 0.132 0.000 0.784 436 P CB 0.756 32.486 31.700 0.051 0.000 0.923 437 T N -1.688 112.962 114.554 0.160 0.000 3.054 437 T HA 0.212 4.576 4.350 0.023 0.000 0.259 437 T C 0.939 175.690 174.700 0.085 0.000 1.092 437 T CA 0.107 62.254 62.100 0.078 0.000 1.121 437 T CB -0.379 68.525 68.868 0.060 0.000 0.912 437 T HN 0.447 nan 8.240 nan 0.000 0.489 438 A N 3.080 125.964 122.820 0.107 0.000 2.406 438 A HA 0.553 4.887 4.320 0.023 0.000 0.243 438 A C -2.171 175.474 177.584 0.101 0.000 1.082 438 A CA -1.385 50.711 52.037 0.098 0.000 0.786 438 A CB -0.398 18.661 19.000 0.097 0.000 1.029 438 A HN 0.293 nan 8.150 nan 0.000 0.495 439 P HA 0.296 nan 4.420 nan 0.000 0.269 439 P C -1.065 176.311 177.300 0.125 0.000 1.209 439 P CA 0.616 63.783 63.100 0.113 0.000 0.776 439 P CB 0.099 31.914 31.700 0.193 0.000 0.876 440 Y N 0.708 120.889 120.300 -0.199 0.000 2.421 440 Y HA 0.675 5.238 4.550 0.023 0.000 0.339 440 Y C -1.465 174.113 175.900 -0.537 0.000 0.996 440 Y CA -0.960 57.011 58.100 -0.215 0.000 1.046 440 Y CB 1.534 39.889 38.460 -0.175 0.000 1.226 440 Y HN 0.437 nan 8.280 nan 0.000 0.445 441 H N 3.694 122.662 119.070 -0.169 0.000 3.026 441 H HA 0.506 5.076 4.556 0.024 0.000 0.352 441 H C -1.253 173.951 175.328 -0.207 0.000 1.090 441 H CA -0.804 55.054 56.048 -0.315 0.000 1.268 441 H CB 1.616 31.227 29.762 -0.252 0.000 1.816 441 H HN 0.901 nan 8.280 nan 0.000 0.518 442 N N 0.431 119.020 118.700 -0.185 0.000 3.378 442 N HA 0.181 4.935 4.740 0.023 0.000 0.294 442 N C -1.152 174.120 175.510 -0.397 0.000 1.544 442 N CA -0.959 51.928 53.050 -0.271 0.000 0.872 442 N CB 0.600 39.093 38.487 0.009 0.000 1.670 442 N HN 0.293 nan 8.380 nan 0.000 0.551 443 F N -0.296 119.695 119.950 0.069 0.000 2.664 443 F HA 0.346 4.886 4.527 0.023 0.000 0.303 443 F C 0.538 176.381 175.800 0.072 0.000 1.092 443 F CA -0.346 57.690 58.000 0.059 0.000 1.305 443 F CB 0.122 39.150 39.000 0.048 0.000 1.054 443 F HN 0.136 nan 8.300 nan 0.000 0.565 444 Q N 1.467 121.379 119.800 0.187 0.000 2.373 444 Q HA 0.381 4.735 4.340 0.023 0.000 0.255 444 Q C 0.080 176.160 176.000 0.133 0.000 0.980 444 Q CA 0.017 55.909 55.803 0.148 0.000 0.882 444 Q CB 0.965 29.766 28.738 0.105 0.000 1.249 444 Q HN 0.101 nan 8.270 nan 0.000 0.438 445 R N 1.438 122.009 120.500 0.119 0.000 2.799 445 R HA 0.356 4.710 4.340 0.023 0.000 0.270 445 R C -0.709 175.642 176.300 0.085 0.000 1.010 445 R CA -0.648 55.513 56.100 0.102 0.000 0.916 445 R CB 1.204 31.566 30.300 0.104 0.000 1.228 445 R HN 0.726 nan 8.270 nan 0.000 0.469 446 D N -0.287 120.156 120.400 0.071 0.000 3.496 446 D HA -0.153 4.501 4.640 0.023 0.000 0.238 446 D C 0.323 176.660 176.300 0.061 0.000 1.707 446 D CA 1.999 56.034 54.000 0.058 0.000 1.150 446 D CB -1.014 39.819 40.800 0.054 0.000 0.759 446 D HN 0.902 nan 8.370 nan 0.000 0.936 447 G N -1.528 107.305 108.800 0.056 0.000 2.690 447 G HA2 0.231 4.205 3.960 0.023 0.000 0.686 447 G HA3 0.231 4.205 3.960 0.023 0.000 0.686 447 G C -0.324 174.612 174.900 0.061 0.000 1.277 447 G CA 0.002 45.138 45.100 0.060 0.000 0.799 447 G HN 0.745 nan 8.290 nan 0.000 0.613 448 M N 1.325 120.966 119.600 0.069 0.000 2.250 448 M HA 0.425 4.919 4.480 0.023 0.000 0.337 448 M C 1.149 177.530 176.300 0.134 0.000 1.161 448 M CA 1.360 56.710 55.300 0.084 0.000 1.088 448 M CB -0.707 31.942 32.600 0.083 0.000 1.639 448 M HN 1.603 nan 8.290 nan 0.000 0.447 449 H N 0.996 120.072 119.070 0.010 0.000 2.604 449 H HA -0.202 4.368 4.556 0.022 0.000 0.321 449 H C -0.613 174.709 175.328 -0.010 0.000 1.132 449 H CA 0.503 56.553 56.048 0.003 0.000 1.129 449 H CB -0.535 29.232 29.762 0.008 0.000 1.526 449 H HN 0.644 nan 8.280 nan 0.000 0.415 450 R N 1.531 122.076 120.500 0.076 0.000 2.421 450 R HA 0.032 4.386 4.340 0.023 0.000 0.305 450 R C 0.988 177.308 176.300 0.033 0.000 1.039 450 R CA 0.149 56.279 56.100 0.050 0.000 1.003 450 R CB 0.303 30.622 30.300 0.032 0.000 0.959 450 R HN 0.425 nan 8.270 nan 0.000 0.427 451 M N 2.644 122.272 119.600 0.048 0.000 2.398 451 M HA 0.204 4.698 4.480 0.023 0.000 0.261 451 M C 0.988 177.293 176.300 0.008 0.000 1.125 451 M CA 1.088 56.408 55.300 0.034 0.000 1.183 451 M CB -0.871 31.754 32.600 0.042 0.000 1.322 451 M HN 0.698 nan 8.290 nan 0.000 0.467 452 G N 1.930 110.738 108.800 0.012 0.000 2.365 452 G HA2 0.402 4.376 3.960 0.023 0.000 0.249 452 G HA3 0.402 4.376 3.960 0.023 0.000 0.249 452 G C -0.334 174.563 174.900 -0.004 0.000 1.288 452 G CA -0.397 44.702 45.100 -0.002 0.000 0.887 452 G HN 0.322 nan 8.290 nan 0.000 0.524 453 I N 2.960 123.519 120.570 -0.018 0.000 2.307 453 I HA 0.105 4.289 4.170 0.023 0.000 0.287 453 I C -0.288 175.818 176.117 -0.018 0.000 1.054 453 I CA -0.493 60.800 61.300 -0.012 0.000 1.218 453 I CB 0.803 38.796 38.000 -0.013 0.000 1.398 453 I HN 0.335 nan 8.210 nan 0.000 0.475 454 D N 4.603 124.997 120.400 -0.009 0.000 2.308 454 D HA 0.088 4.742 4.640 0.023 0.000 0.251 454 D C 1.212 177.512 176.300 0.001 0.000 1.127 454 D CA 0.172 54.164 54.000 -0.014 0.000 0.876 454 D CB 1.992 42.792 40.800 -0.000 0.000 1.176 454 D HN 0.547 nan 8.370 nan 0.000 0.446 455 T N -0.755 113.795 114.554 -0.007 0.000 3.060 455 T HA -0.053 4.311 4.350 0.023 0.000 0.249 455 T C 0.828 175.537 174.700 0.014 0.000 1.079 455 T CA -0.512 61.589 62.100 0.002 0.000 1.013 455 T CB 0.140 69.002 68.868 -0.010 0.000 0.975 455 T HN 0.116 nan 8.240 nan 0.000 0.518 456 N N 3.313 122.023 118.700 0.017 0.000 2.411 456 N HA 0.099 4.853 4.740 0.023 0.000 0.261 456 N C -1.650 173.902 175.510 0.071 0.000 1.248 456 N CA -1.576 51.499 53.050 0.042 0.000 0.885 456 N CB 1.430 39.942 38.487 0.042 0.000 1.062 456 N HN 0.054 nan 8.380 nan 0.000 0.471 457 P HA -0.027 nan 4.420 nan 0.000 0.219 457 P C -0.565 176.801 177.300 0.110 0.000 1.146 457 P CA 0.969 64.118 63.100 0.081 0.000 0.808 457 P CB 0.191 31.934 31.700 0.072 0.000 0.779 458 A N 0.643 123.520 122.820 0.095 0.000 2.312 458 A HA 0.404 4.738 4.320 0.023 0.000 0.326 458 A C 0.453 178.153 177.584 0.193 0.000 1.172 458 A CA -0.655 51.395 52.037 0.022 0.000 0.821 458 A CB -0.000 18.858 19.000 -0.237 0.000 1.166 458 A HN 0.281 nan 8.150 nan 0.000 0.493 459 N N 0.317 119.162 118.700 0.242 0.000 2.351 459 N HA 0.372 5.126 4.740 0.023 0.000 0.254 459 N C -0.882 174.789 175.510 0.267 0.000 1.241 459 N CA -0.369 52.904 53.050 0.372 0.000 0.883 459 N CB 0.303 38.958 38.487 0.280 0.000 1.202 459 N HN 0.685 nan 8.380 nan 0.000 0.512 460 Y N -1.176 118.972 120.300 -0.253 0.000 2.638 460 Y HA 0.673 5.237 4.550 0.023 0.000 0.335 460 Y C -1.493 173.748 175.900 -1.099 0.000 1.155 460 Y CA -1.404 56.371 58.100 -0.543 0.000 1.046 460 Y CB 0.961 39.279 38.460 -0.237 0.000 1.303 460 Y HN 0.063 nan 8.280 nan 0.000 0.460 461 E N 0.586 120.268 120.200 -0.864 0.000 2.356 461 E HA 0.665 5.029 4.350 0.023 0.000 0.275 461 E C -3.191 173.292 176.600 -0.194 0.000 0.904 461 E CA -2.043 53.958 56.400 -0.666 0.000 0.757 461 E CB 1.652 30.917 29.700 -0.724 0.000 1.232 461 E HN 0.542 nan 8.360 nan 0.000 0.442 462 P HA 0.300 nan 4.420 nan 0.000 0.279 462 P C -1.274 175.969 177.300 -0.095 0.000 1.239 462 P CA -0.469 62.559 63.100 -0.119 0.000 0.789 462 P CB 0.505 32.173 31.700 -0.053 0.000 0.933 463 N N -1.359 117.211 118.700 -0.217 0.000 2.262 463 N HA 0.340 5.094 4.740 0.023 0.000 0.295 463 N C 0.310 175.771 175.510 -0.081 0.000 1.161 463 N CA -0.760 52.177 53.050 -0.189 0.000 0.767 463 N CB 1.434 39.507 38.487 -0.690 0.000 1.499 463 N HN 0.177 nan 8.380 nan 0.000 0.476 464 S N 0.727 116.429 115.700 0.003 0.000 2.492 464 S HA -0.011 4.474 4.470 0.023 0.000 0.218 464 S C 1.566 176.180 174.600 0.023 0.000 1.016 464 S CA 0.068 58.272 58.200 0.006 0.000 0.916 464 S CB -0.808 62.407 63.200 0.025 0.000 0.791 464 S HN 0.711 nan 8.310 nan 0.000 0.513 465 I N -0.632 119.961 120.570 0.039 0.000 2.830 465 I HA 0.203 4.387 4.170 0.023 0.000 0.263 465 I C 1.251 177.403 176.117 0.058 0.000 1.230 465 I CA 1.242 62.577 61.300 0.057 0.000 1.480 465 I CB -0.408 37.646 38.000 0.090 0.000 1.095 465 I HN 0.178 nan 8.210 nan 0.000 0.455 466 N N 1.176 119.908 118.700 0.053 0.000 2.351 466 N HA 0.045 4.799 4.740 0.023 0.000 0.254 466 N C -0.079 175.542 175.510 0.185 0.000 1.241 466 N CA -0.055 53.068 53.050 0.121 0.000 0.883 466 N CB -0.014 38.558 38.487 0.141 0.000 1.202 466 N HN 0.189 nan 8.380 nan 0.000 0.512 467 D N 0.680 121.136 120.400 0.092 0.000 2.811 467 D HA -0.261 4.393 4.640 0.023 0.000 0.231 467 D C -0.070 176.115 176.300 -0.192 0.000 1.157 467 D CA 1.093 55.106 54.000 0.021 0.000 0.716 467 D CB -1.316 39.581 40.800 0.161 0.000 1.077 467 D HN 0.502 nan 8.370 nan 0.000 0.428 468 N N -1.781 116.845 118.700 -0.124 0.000 2.800 468 N HA -0.245 4.509 4.740 0.023 0.000 0.250 468 N C -0.794 174.646 175.510 -0.117 0.000 1.078 468 N CA 1.417 54.367 53.050 -0.167 0.000 0.804 468 N CB -1.289 37.051 38.487 -0.246 0.000 1.135 468 N HN 0.530 nan 8.380 nan 0.000 0.565 469 W N 0.912 122.265 121.300 0.088 0.000 2.375 469 W HA 0.460 5.134 4.660 0.023 0.000 0.336 469 W C -1.674 174.881 176.519 0.059 0.000 1.160 469 W CA -1.587 55.789 57.345 0.053 0.000 1.266 469 W CB 0.573 30.013 29.460 -0.034 0.000 1.195 469 W HN -0.041 nan 8.180 nan 0.000 0.599 470 P HA 0.205 nan 4.420 nan 0.000 0.275 470 P C -0.709 176.719 177.300 0.214 0.000 1.228 470 P CA -0.185 63.046 63.100 0.218 0.000 0.786 470 P CB 0.958 32.623 31.700 -0.058 0.000 0.927 471 R N 1.298 121.918 120.500 0.199 0.000 2.540 471 R HA 0.310 4.664 4.340 0.023 0.000 0.287 471 R C 0.388 176.726 176.300 0.064 0.000 0.980 471 R CA -0.782 55.317 56.100 -0.001 0.000 0.966 471 R CB 1.063 31.152 30.300 -0.353 0.000 1.106 471 R HN 0.493 nan 8.270 nan 0.000 0.480 472 E N 0.727 120.951 120.200 0.041 0.000 2.436 472 E HA 0.024 4.388 4.350 0.023 0.000 0.262 472 E C -0.516 176.107 176.600 0.039 0.000 1.063 472 E CA 0.643 57.075 56.400 0.054 0.000 0.944 472 E CB 0.645 30.367 29.700 0.037 0.000 0.950 472 E HN 0.355 nan 8.360 nan 0.000 0.444 473 T N 3.245 117.832 114.554 0.056 0.000 2.879 473 T HA 0.339 4.703 4.350 0.023 0.000 0.290 473 T C -2.417 172.306 174.700 0.038 0.000 0.993 473 T CA -1.472 60.658 62.100 0.051 0.000 0.975 473 T CB 1.565 70.476 68.868 0.071 0.000 0.981 473 T HN 0.230 nan 8.240 nan 0.000 0.439 474 P HA 0.243 nan 4.420 nan 0.000 0.270 474 P C -2.381 174.923 177.300 0.007 0.000 1.223 474 P CA -1.144 61.962 63.100 0.010 0.000 0.785 474 P CB -0.144 31.558 31.700 0.003 0.000 0.923 475 P HA 0.275 nan 4.420 nan 0.000 0.272 475 P C -0.146 177.140 177.300 -0.023 0.000 1.230 475 P CA 0.290 63.373 63.100 -0.030 0.000 0.788 475 P CB 0.770 32.431 31.700 -0.065 0.000 0.949 476 G N 0.641 109.425 108.800 -0.025 0.000 2.488 476 G HA2 0.386 4.360 3.960 0.023 0.000 0.301 476 G HA3 0.386 4.360 3.960 0.023 0.000 0.301 476 G C -2.532 172.356 174.900 -0.021 0.000 1.339 476 G CA -0.696 44.393 45.100 -0.018 0.000 0.803 476 G HN 0.165 nan 8.290 nan 0.000 0.482 477 P HA 0.119 nan 4.420 nan 0.000 0.221 477 P C 0.082 177.377 177.300 -0.010 0.000 1.150 477 P CA 1.098 64.188 63.100 -0.016 0.000 0.800 477 P CB 0.372 32.065 31.700 -0.012 0.000 0.787 478 K N -0.567 119.834 120.400 0.002 0.000 2.543 478 K HA 0.261 4.595 4.320 0.023 0.000 0.255 478 K C -0.075 176.540 176.600 0.024 0.000 0.934 478 K CA -0.775 55.520 56.287 0.014 0.000 0.810 478 K CB 2.334 34.844 32.500 0.016 0.000 1.315 478 K HN -0.277 nan 8.250 nan 0.000 0.433 479 R N -0.659 119.863 120.500 0.037 0.000 3.875 479 R HA -0.142 4.212 4.340 0.023 0.000 0.321 479 R C 0.194 176.522 176.300 0.047 0.000 1.196 479 R CA 1.083 57.211 56.100 0.047 0.000 0.868 479 R CB -2.177 28.150 30.300 0.045 0.000 1.333 479 R HN 0.951 nan 8.270 nan 0.000 0.522 480 G N -0.578 108.244 108.800 0.037 0.000 2.502 480 G HA2 0.587 4.561 3.960 0.023 0.000 0.305 480 G HA3 0.587 4.561 3.960 0.023 0.000 0.305 480 G C 0.436 175.366 174.900 0.051 0.000 1.190 480 G CA 0.116 45.235 45.100 0.032 0.000 0.933 480 G HN 0.243 nan 8.290 nan 0.000 0.503 481 G N -1.301 107.529 108.800 0.051 0.000 2.569 481 G HA2 0.403 4.377 3.960 0.023 0.000 0.249 481 G HA3 0.403 4.377 3.960 0.023 0.000 0.249 481 G C -0.687 174.258 174.900 0.076 0.000 1.216 481 G CA -0.539 44.613 45.100 0.085 0.000 0.845 481 G HN 0.446 nan 8.290 nan 0.000 0.568 482 F N 0.320 120.283 119.950 0.022 0.000 2.456 482 F HA 0.420 4.962 4.527 0.024 0.000 0.358 482 F C 0.505 176.317 175.800 0.021 0.000 1.095 482 F CA -0.261 57.748 58.000 0.014 0.000 1.216 482 F CB 0.981 39.992 39.000 0.018 0.000 1.125 482 F HN 0.449 nan 8.300 nan 0.000 0.549 483 E N 3.827 123.619 120.200 -0.679 0.000 2.256 483 E HA 0.320 4.684 4.350 0.023 0.000 0.268 483 E C -1.214 175.042 176.600 -0.573 0.000 0.877 483 E CA -0.780 55.406 56.400 -0.357 0.000 0.757 483 E CB 1.648 31.227 29.700 -0.201 0.000 1.183 483 E HN 0.617 nan 8.360 nan 0.000 0.418 484 S N 2.417 118.019 115.700 -0.163 0.000 2.564 484 S HA 0.030 4.514 4.470 0.023 0.000 0.278 484 S C -0.599 173.985 174.600 -0.026 0.000 1.333 484 S CA -0.363 57.828 58.200 -0.014 0.000 1.048 484 S CB 0.164 63.480 63.200 0.194 0.000 0.900 484 S HN 0.467 nan 8.310 nan 0.000 0.505 485 Y N 2.565 122.803 120.300 -0.103 0.000 2.620 485 Y HA -0.025 4.539 4.550 0.023 0.000 0.330 485 Y C 0.913 176.795 175.900 -0.030 0.000 1.186 485 Y CA 0.228 58.278 58.100 -0.084 0.000 1.467 485 Y CB 0.201 38.608 38.460 -0.088 0.000 1.262 485 Y HN 0.587 nan 8.280 nan 0.000 0.550 486 Q N 5.284 124.700 119.800 -0.640 0.000 3.179 486 Q HA -0.000 4.354 4.340 0.023 0.000 0.328 486 Q C -0.178 175.519 176.000 -0.506 0.000 1.336 486 Q CA -0.011 55.531 55.803 -0.435 0.000 0.939 486 Q CB -0.231 28.323 28.738 -0.308 0.000 1.658 486 Q HN 0.652 nan 8.270 nan 0.000 0.486 487 E N 1.562 121.541 120.200 -0.368 0.000 2.413 487 E HA -0.028 4.336 4.350 0.023 0.000 0.263 487 E C -0.262 176.304 176.600 -0.057 0.000 1.015 487 E CA -0.253 56.066 56.400 -0.135 0.000 0.916 487 E CB 0.669 30.434 29.700 0.108 0.000 0.947 487 E HN 0.250 nan 8.360 nan 0.000 0.440 488 R N 3.170 123.662 120.500 -0.013 0.000 2.340 488 R HA 0.231 4.585 4.340 0.023 0.000 0.300 488 R C -1.281 175.041 176.300 0.038 0.000 1.069 488 R CA -0.443 55.660 56.100 0.005 0.000 0.984 488 R CB 0.770 31.081 30.300 0.018 0.000 1.003 488 R HN 0.305 nan 8.270 nan 0.000 0.459 489 V N 4.382 124.311 119.914 0.026 0.000 2.513 489 V HA 0.413 4.547 4.120 0.023 0.000 0.299 489 V C -0.365 175.743 176.094 0.023 0.000 1.035 489 V CA -0.527 61.793 62.300 0.033 0.000 0.889 489 V CB 1.559 33.398 31.823 0.027 0.000 0.988 489 V HN 0.841 nan 8.190 nan 0.000 0.440 490 E N 2.502 122.717 120.200 0.025 0.000 2.311 490 E HA 0.631 4.995 4.350 0.023 0.000 0.281 490 E C -0.579 176.027 176.600 0.010 0.000 0.905 490 E CA -0.105 56.303 56.400 0.014 0.000 0.778 490 E CB 2.180 31.889 29.700 0.015 0.000 1.240 490 E HN 0.987 nan 8.360 nan 0.000 0.410 491 G N 2.875 111.676 108.800 0.002 0.000 2.320 491 G HA2 0.093 4.067 3.960 0.023 0.000 0.297 491 G HA3 0.093 4.067 3.960 0.023 0.000 0.297 491 G C -1.467 173.428 174.900 -0.009 0.000 1.344 491 G CA -0.903 44.194 45.100 -0.005 0.000 0.851 491 G HN 0.401 nan 8.290 nan 0.000 0.567 492 N N 0.001 118.692 118.700 -0.014 0.000 2.482 492 N HA 0.401 5.155 4.740 0.023 0.000 0.279 492 N C -0.243 175.255 175.510 -0.021 0.000 1.182 492 N CA -0.408 52.632 53.050 -0.017 0.000 0.969 492 N CB 1.230 39.706 38.487 -0.018 0.000 1.201 492 N HN 0.464 nan 8.380 nan 0.000 0.523 493 K N 0.917 121.304 120.400 -0.022 0.000 2.336 493 K HA 0.207 4.541 4.320 0.023 0.000 0.290 493 K C -0.449 176.130 176.600 -0.035 0.000 1.067 493 K CA -0.190 56.080 56.287 -0.028 0.000 0.962 493 K CB -0.080 32.404 32.500 -0.026 0.000 1.008 493 K HN 0.330 nan 8.250 nan 0.000 0.467 494 V N 0.294 120.182 119.914 -0.043 0.000 2.876 494 V HA 0.485 4.619 4.120 0.023 0.000 0.312 494 V C -0.477 175.578 176.094 -0.066 0.000 1.085 494 V CA -1.354 60.916 62.300 -0.050 0.000 0.945 494 V CB 2.018 33.812 31.823 -0.047 0.000 1.017 494 V HN 0.608 nan 8.190 nan 0.000 0.428 495 R N 2.271 122.728 120.500 -0.071 0.000 2.522 495 R HA 0.596 4.950 4.340 0.023 0.000 0.290 495 R C -0.497 175.756 176.300 -0.078 0.000 1.216 495 R CA -0.129 55.917 56.100 -0.090 0.000 1.250 495 R CB 0.797 31.030 30.300 -0.110 0.000 1.143 495 R HN 0.937 nan 8.270 nan 0.000 0.553 496 E N 1.840 121.990 120.200 -0.084 0.000 2.321 496 E HA 0.255 4.619 4.350 0.023 0.000 0.278 496 E C -1.252 175.281 176.600 -0.113 0.000 0.902 496 E CA -1.037 55.316 56.400 -0.078 0.000 0.758 496 E CB 1.623 31.283 29.700 -0.067 0.000 1.213 496 E HN 0.109 nan 8.360 nan 0.000 0.426 497 R N 1.672 122.109 120.500 -0.105 0.000 2.390 497 R HA 0.239 4.593 4.340 0.023 0.000 0.291 497 R C -0.574 175.610 176.300 -0.193 0.000 1.070 497 R CA 0.023 56.020 56.100 -0.172 0.000 1.014 497 R CB 1.259 31.516 30.300 -0.071 0.000 1.007 497 R HN 0.395 nan 8.270 nan 0.000 0.466 498 S N 4.804 120.285 115.700 -0.365 0.000 2.537 498 S HA 0.111 4.595 4.470 0.023 0.000 0.286 498 S C -1.523 173.054 174.600 -0.039 0.000 1.299 498 S CA -1.208 56.866 58.200 -0.210 0.000 1.067 498 S CB 0.651 63.684 63.200 -0.277 0.000 0.864 498 S HN 0.535 nan 8.310 nan 0.000 0.494 499 P HA -0.116 nan 4.420 nan 0.000 0.218 499 P C 1.471 178.825 177.300 0.089 0.000 1.146 499 P CA 1.265 64.388 63.100 0.039 0.000 0.813 499 P CB -0.128 31.583 31.700 0.018 0.000 0.778 500 S N -2.199 113.593 115.700 0.155 0.000 2.507 500 S HA -0.100 4.384 4.470 0.023 0.000 0.235 500 S C 1.407 176.169 174.600 0.269 0.000 0.988 500 S CA 0.767 59.089 58.200 0.203 0.000 0.944 500 S CB -1.339 62.014 63.200 0.255 0.000 0.762 500 S HN -0.019 nan 8.310 nan 0.000 0.526 501 F N 2.164 122.105 119.950 -0.015 0.000 2.797 501 F HA 0.392 4.933 4.527 0.023 0.000 0.302 501 F C 1.934 177.665 175.800 -0.114 0.000 1.130 501 F CA -0.831 57.155 58.000 -0.023 0.000 1.387 501 F CB -0.542 38.476 39.000 0.029 0.000 1.107 501 F HN 0.352 nan 8.300 nan 0.000 0.577 502 G N 0.467 109.261 108.800 -0.011 0.000 3.574 502 G HA2 0.116 4.090 3.960 0.023 0.000 0.262 502 G HA3 0.116 4.090 3.960 0.023 0.000 0.262 502 G C -0.081 174.410 174.900 -0.682 0.000 1.231 502 G CA 0.097 45.019 45.100 -0.296 0.000 1.608 502 G HN 0.042 nan 8.290 nan 0.000 0.628 503 E N 0.102 119.823 120.200 -0.799 0.000 2.275 503 E HA 0.355 4.719 4.350 0.023 0.000 0.270 503 E C -0.921 175.251 176.600 -0.713 0.000 0.882 503 E CA -0.758 55.244 56.400 -0.664 0.000 0.758 503 E CB 1.636 31.193 29.700 -0.238 0.000 1.195 503 E HN 0.197 nan 8.360 nan 0.000 0.419 504 Y N 2.496 122.586 120.300 -0.351 0.000 2.448 504 Y HA 0.198 4.762 4.550 0.024 0.000 0.257 504 Y C 0.741 176.372 175.900 -0.449 0.000 1.089 504 Y CA -0.140 57.664 58.100 -0.493 0.000 1.245 504 Y CB 0.402 38.425 38.460 -0.728 0.000 1.282 504 Y HN 0.421 nan 8.280 nan 0.000 0.529 505 Y N -1.774 118.613 120.300 0.146 0.000 2.483 505 Y HA 0.180 4.744 4.550 0.023 0.000 0.258 505 Y C 2.232 178.194 175.900 0.105 0.000 1.083 505 Y CA 0.092 58.271 58.100 0.131 0.000 1.283 505 Y CB -0.146 38.394 38.460 0.132 0.000 1.178 505 Y HN -0.122 nan 8.280 nan 0.000 0.515 506 S N -0.530 115.306 115.700 0.227 0.000 2.383 506 S HA -0.160 4.324 4.470 0.023 0.000 0.227 506 S C 1.467 176.139 174.600 0.120 0.000 1.026 506 S CA 1.489 59.800 58.200 0.185 0.000 0.981 506 S CB -0.251 63.066 63.200 0.195 0.000 0.818 506 S HN 0.486 nan 8.310 nan 0.000 0.472 507 H N 1.221 120.209 119.070 -0.137 0.000 2.395 507 H HA 0.062 4.632 4.556 0.023 0.000 0.299 507 H C -0.727 174.401 175.328 -0.333 0.000 1.070 507 H CA 0.935 56.752 56.048 -0.385 0.000 1.356 507 H CB -1.633 27.648 29.762 -0.800 0.000 1.401 507 H HN 0.326 nan 8.280 nan 0.000 0.524 508 P HA -0.171 nan 4.420 nan 0.000 0.216 508 P C 1.517 179.000 177.300 0.306 0.000 1.153 508 P CA 1.624 64.871 63.100 0.246 0.000 0.858 508 P CB 0.104 31.984 31.700 0.300 0.000 0.789 509 R N -0.375 120.258 120.500 0.223 0.000 2.075 509 R HA -0.118 4.236 4.340 0.023 0.000 0.232 509 R C 2.178 178.613 176.300 0.225 0.000 1.126 509 R CA 1.065 57.304 56.100 0.231 0.000 0.963 509 R CB -1.014 29.381 30.300 0.159 0.000 0.858 509 R HN 0.071 nan 8.270 nan 0.000 0.435 510 L N 0.431 121.726 121.223 0.120 0.000 2.083 510 L HA -0.134 4.220 4.340 0.023 0.000 0.209 510 L C 1.942 178.881 176.870 0.116 0.000 1.083 510 L CA 1.698 56.573 54.840 0.059 0.000 0.752 510 L CB -0.607 41.406 42.059 -0.077 0.000 0.899 510 L HN 0.230 nan 8.230 nan 0.000 0.433 511 F N -0.975 119.009 119.950 0.056 0.000 2.113 511 F HA -0.244 4.298 4.527 0.024 0.000 0.297 511 F C 2.304 178.112 175.800 0.014 0.000 1.103 511 F CA 1.955 59.967 58.000 0.021 0.000 1.248 511 F CB -0.586 38.460 39.000 0.078 0.000 0.999 511 F HN 0.346 nan 8.300 nan 0.000 0.475 512 W N 1.530 122.864 121.300 0.057 0.000 2.335 512 W HA -0.241 4.433 4.660 0.023 0.000 0.311 512 W C 1.699 178.117 176.519 -0.168 0.000 1.213 512 W CA 1.786 59.094 57.345 -0.061 0.000 1.274 512 W CB -0.690 28.810 29.460 0.068 0.000 1.148 512 W HN 0.078 nan 8.180 nan 0.000 0.498 513 L N 1.066 122.242 121.223 -0.078 0.000 2.362 513 L HA -0.153 4.201 4.340 0.023 0.000 0.219 513 L C 2.255 178.945 176.870 -0.300 0.000 1.134 513 L CA 0.997 55.710 54.840 -0.211 0.000 0.807 513 L CB -0.699 41.359 42.059 -0.002 0.000 0.927 513 L HN -0.138 nan 8.230 nan 0.000 0.447 514 S N -1.523 113.976 115.700 -0.334 0.000 2.558 514 S HA 0.064 4.548 4.470 0.023 0.000 0.217 514 S C 0.751 175.064 174.600 -0.477 0.000 0.975 514 S CA 0.038 58.034 58.200 -0.339 0.000 0.912 514 S CB 0.073 63.098 63.200 -0.291 0.000 0.776 514 S HN 0.292 nan 8.310 nan 0.000 0.526 515 Q N 2.072 121.482 119.800 -0.651 0.000 2.260 515 Q HA 0.306 4.660 4.340 0.023 0.000 0.238 515 Q C 0.647 176.253 176.000 -0.657 0.000 0.948 515 Q CA -0.115 55.264 55.803 -0.707 0.000 0.895 515 Q CB 0.494 28.745 28.738 -0.812 0.000 1.218 515 Q HN 0.420 nan 8.270 nan 0.000 0.470 516 T N -2.073 112.045 114.554 -0.726 0.000 2.726 516 T HA 0.172 4.536 4.350 0.023 0.000 0.294 516 T C -1.775 172.455 174.700 -0.784 0.000 1.013 516 T CA -1.267 60.365 62.100 -0.780 0.000 0.996 516 T CB 0.229 68.353 68.868 -1.240 0.000 1.016 516 T HN 0.228 nan 8.240 nan 0.000 0.529 517 P HA 0.041 nan 4.420 nan 0.000 0.219 517 P C 1.413 178.493 177.300 -0.367 0.000 1.150 517 P CA 0.759 63.626 63.100 -0.389 0.000 0.814 517 P CB -0.250 31.346 31.700 -0.174 0.000 0.787 518 F N 0.205 119.953 119.950 -0.337 0.000 2.186 518 F HA 0.000 4.541 4.527 0.023 0.000 0.299 518 F C 1.781 177.221 175.800 -0.600 0.000 1.090 518 F CA 0.941 58.671 58.000 -0.449 0.000 1.307 518 F CB -1.630 37.089 39.000 -0.469 0.000 1.019 518 F HN -0.114 nan 8.300 nan 0.000 0.489 519 E N 0.536 120.155 120.200 -0.968 0.000 2.110 519 E HA -0.223 4.141 4.350 0.023 0.000 0.193 519 E C 2.217 178.616 176.600 -0.335 0.000 0.988 519 E CA 1.527 57.586 56.400 -0.569 0.000 0.804 519 E CB -0.309 29.018 29.700 -0.622 0.000 0.745 519 E HN 0.642 nan 8.360 nan 0.000 0.458 520 Q N 0.203 119.725 119.800 -0.463 0.000 2.119 520 Q HA -0.180 4.174 4.340 0.023 0.000 0.201 520 Q C 2.240 178.261 176.000 0.035 0.000 0.972 520 Q CA 1.128 56.688 55.803 -0.404 0.000 0.847 520 Q CB -0.095 28.140 28.738 -0.837 0.000 0.903 520 Q HN -0.000 nan 8.270 nan 0.000 0.433 521 R N 0.498 120.992 120.500 -0.010 0.000 2.081 521 R HA -0.150 4.204 4.340 0.023 0.000 0.235 521 R C 1.607 178.086 176.300 0.298 0.000 1.131 521 R CA 1.903 58.093 56.100 0.150 0.000 0.960 521 R CB -0.491 29.873 30.300 0.107 0.000 0.856 521 R HN 0.469 nan 8.270 nan 0.000 0.436 522 H N -0.811 118.349 119.070 0.151 0.000 2.423 522 H HA -0.013 4.557 4.556 0.023 0.000 0.297 522 H C 2.010 177.458 175.328 0.200 0.000 1.075 522 H CA 1.096 57.252 56.048 0.180 0.000 1.342 522 H CB 0.025 29.899 29.762 0.187 0.000 1.395 522 H HN 0.186 nan 8.280 nan 0.000 0.530 523 I N 0.189 120.978 120.570 0.365 0.000 2.142 523 I HA -0.267 3.917 4.170 0.023 0.000 0.240 523 I C 2.337 178.758 176.117 0.506 0.000 1.078 523 I CA 0.884 62.445 61.300 0.434 0.000 1.343 523 I CB -0.183 38.170 38.000 0.588 0.000 1.046 523 I HN 0.072 nan 8.210 nan 0.000 0.405 524 V N 0.831 121.033 119.914 0.480 0.000 2.332 524 V HA -0.329 3.805 4.120 0.023 0.000 0.248 524 V C 1.987 178.262 176.094 0.303 0.000 1.055 524 V CA 2.110 64.637 62.300 0.379 0.000 1.038 524 V CB -0.670 31.333 31.823 0.299 0.000 0.651 524 V HN 0.426 nan 8.190 nan 0.000 0.450 525 D N 0.192 120.754 120.400 0.270 0.000 2.183 525 D HA -0.059 4.595 4.640 0.023 0.000 0.203 525 D C 2.158 178.546 176.300 0.147 0.000 0.969 525 D CA 1.371 55.495 54.000 0.207 0.000 0.842 525 D CB -0.449 40.476 40.800 0.208 0.000 0.957 525 D HN 0.477 nan 8.370 nan 0.000 0.484 526 G N 0.014 108.885 108.800 0.119 0.000 2.404 526 G HA2 -0.237 3.737 3.960 0.023 0.000 0.215 526 G HA3 -0.237 3.737 3.960 0.023 0.000 0.215 526 G C 1.440 176.351 174.900 0.017 0.000 1.174 526 G CA 0.118 45.199 45.100 -0.033 0.000 0.780 526 G HN 0.165 nan 8.290 nan 0.000 0.537 527 F N 1.839 121.830 119.950 0.069 0.000 2.126 527 F HA -0.089 4.453 4.527 0.024 0.000 0.299 527 F C 3.151 178.859 175.800 -0.154 0.000 1.096 527 F CA 1.647 59.617 58.000 -0.051 0.000 1.255 527 F CB -0.265 38.717 39.000 -0.029 0.000 0.997 527 F HN 0.088 nan 8.300 nan 0.000 0.479 528 S N -0.271 115.523 115.700 0.157 0.000 2.355 528 S HA -0.190 4.294 4.470 0.023 0.000 0.222 528 S C 1.872 176.478 174.600 0.010 0.000 1.031 528 S CA 1.168 59.403 58.200 0.058 0.000 0.993 528 S CB -0.748 62.512 63.200 0.100 0.000 0.859 528 S HN 0.402 nan 8.310 nan 0.000 0.453 529 F N 2.600 122.508 119.950 -0.070 0.000 2.102 529 F HA -0.103 4.438 4.527 0.023 0.000 0.298 529 F C 2.386 178.116 175.800 -0.116 0.000 1.105 529 F CA 1.484 59.431 58.000 -0.088 0.000 1.239 529 F CB -0.250 38.636 39.000 -0.190 0.000 0.991 529 F HN 0.120 nan 8.300 nan 0.000 0.474 530 E N 0.626 120.768 120.200 -0.097 0.000 2.058 530 E HA -0.229 4.136 4.350 0.023 0.000 0.194 530 E C 2.313 178.682 176.600 -0.386 0.000 0.997 530 E CA 1.763 58.068 56.400 -0.158 0.000 0.801 530 E CB -0.560 29.202 29.700 0.104 0.000 0.746 530 E HN 0.483 nan 8.360 nan 0.000 0.450 531 L N 1.370 122.285 121.223 -0.512 0.000 2.291 531 L HA -0.106 4.248 4.340 0.023 0.000 0.214 531 L C 2.669 179.360 176.870 -0.298 0.000 1.120 531 L CA 0.873 55.402 54.840 -0.517 0.000 0.799 531 L CB -0.412 41.368 42.059 -0.465 0.000 0.925 531 L HN 0.129 nan 8.230 nan 0.000 0.446 532 S N -0.572 114.963 115.700 -0.275 0.000 2.442 532 S HA -0.121 4.363 4.470 0.023 0.000 0.236 532 S C 1.768 176.237 174.600 -0.219 0.000 1.007 532 S CA 0.692 58.758 58.200 -0.224 0.000 0.965 532 S CB -0.107 62.965 63.200 -0.213 0.000 0.773 532 S HN 0.279 nan 8.310 nan 0.000 0.504 533 K N 1.171 121.415 120.400 -0.261 0.000 2.404 533 K HA 0.333 4.667 4.320 0.023 0.000 0.194 533 K C -0.110 176.477 176.600 -0.022 0.000 1.023 533 K CA -0.018 56.184 56.287 -0.141 0.000 1.094 533 K CB 0.128 32.530 32.500 -0.164 0.000 0.841 533 K HN 0.317 nan 8.250 nan 0.000 0.523 534 V N 2.101 121.981 119.914 -0.057 0.000 2.455 534 V HA 0.003 4.137 4.120 0.023 0.000 0.273 534 V C 1.681 177.757 176.094 -0.030 0.000 1.045 534 V CA -0.046 62.247 62.300 -0.012 0.000 0.976 534 V CB 1.381 33.163 31.823 -0.068 0.000 0.993 534 V HN -0.119 nan 8.190 nan 0.000 0.475 535 V N 5.222 125.142 119.914 0.011 0.000 2.488 535 V HA -0.001 4.133 4.120 0.023 0.000 0.246 535 V C 1.302 177.382 176.094 -0.023 0.000 1.046 535 V CA 1.143 63.448 62.300 0.008 0.000 1.053 535 V CB -0.409 31.439 31.823 0.041 0.000 0.679 535 V HN 0.745 nan 8.190 nan 0.000 0.458 536 R N 0.890 121.351 120.500 -0.066 0.000 2.242 536 R HA 0.191 4.545 4.340 0.023 0.000 0.334 536 R C -1.779 174.404 176.300 -0.196 0.000 1.071 536 R CA -1.404 54.627 56.100 -0.114 0.000 0.922 536 R CB 0.747 30.911 30.300 -0.225 0.000 1.023 536 R HN 0.218 nan 8.270 nan 0.000 0.458 537 P HA -0.166 nan 4.420 nan 0.000 0.221 537 P C 0.640 177.896 177.300 -0.073 0.000 1.150 537 P CA 0.969 64.032 63.100 -0.062 0.000 0.800 537 P CB 0.040 31.743 31.700 0.005 0.000 0.787 538 Y N -1.416 118.884 120.300 -0.000 0.000 2.333 538 Y HA -0.078 4.486 4.550 0.023 0.000 0.290 538 Y C 1.859 177.765 175.900 0.010 0.000 1.144 538 Y CA 0.779 58.880 58.100 0.002 0.000 1.228 538 Y CB -1.727 36.734 38.460 0.002 0.000 0.985 538 Y HN -0.108 nan 8.280 nan 0.000 0.542 539 I N 0.696 120.831 120.570 -0.724 0.000 2.353 539 I HA -0.196 3.988 4.170 0.023 0.000 0.248 539 I C 2.452 178.480 176.117 -0.148 0.000 1.119 539 I CA 1.062 62.132 61.300 -0.383 0.000 1.417 539 I CB -0.340 37.419 38.000 -0.402 0.000 1.078 539 I HN 0.190 nan 8.210 nan 0.000 0.421 540 R N 0.867 121.269 120.500 -0.163 0.000 2.081 540 R HA -0.185 4.169 4.340 0.023 0.000 0.235 540 R C 2.106 178.359 176.300 -0.079 0.000 1.131 540 R CA 1.477 57.498 56.100 -0.132 0.000 0.960 540 R CB -0.404 29.815 30.300 -0.134 0.000 0.856 540 R HN 0.446 nan 8.270 nan 0.000 0.436 541 E N 0.545 120.720 120.200 -0.041 0.000 2.058 541 E HA -0.203 4.161 4.350 0.023 0.000 0.194 541 E C 2.143 178.752 176.600 0.014 0.000 0.997 541 E CA 1.232 57.630 56.400 -0.004 0.000 0.801 541 E CB -0.085 29.637 29.700 0.036 0.000 0.746 541 E HN 0.290 nan 8.360 nan 0.000 0.450 542 R N 0.322 120.847 120.500 0.042 0.000 2.096 542 R HA -0.116 4.238 4.340 0.023 0.000 0.235 542 R C 2.404 178.735 176.300 0.052 0.000 1.127 542 R CA 1.093 57.230 56.100 0.062 0.000 0.968 542 R CB -0.259 30.098 30.300 0.094 0.000 0.861 542 R HN 0.069 nan 8.270 nan 0.000 0.440 543 V N 0.205 120.144 119.914 0.042 0.000 2.427 543 V HA -0.177 3.957 4.120 0.023 0.000 0.248 543 V C 2.258 178.343 176.094 -0.015 0.000 1.051 543 V CA 1.369 63.709 62.300 0.066 0.000 1.048 543 V CB -0.203 31.682 31.823 0.103 0.000 0.666 543 V HN 0.120 nan 8.190 nan 0.000 0.456 544 V N 0.507 120.385 119.914 -0.060 0.000 2.343 544 V HA -0.305 3.829 4.120 0.023 0.000 0.247 544 V C 2.296 178.350 176.094 -0.067 0.000 1.051 544 V CA 2.472 64.710 62.300 -0.103 0.000 1.036 544 V CB -0.630 31.136 31.823 -0.095 0.000 0.654 544 V HN 0.650 nan 8.190 nan 0.000 0.451 545 D N -0.564 119.830 120.400 -0.010 0.000 2.123 545 D HA -0.217 4.437 4.640 0.023 0.000 0.196 545 D C 2.273 178.650 176.300 0.129 0.000 0.992 545 D CA 1.474 55.499 54.000 0.041 0.000 0.833 545 D CB -0.058 40.786 40.800 0.075 0.000 0.954 545 D HN 0.510 nan 8.370 nan 0.000 0.455 546 Q N -0.366 119.491 119.800 0.096 0.000 2.096 546 Q HA -0.128 4.226 4.340 0.023 0.000 0.204 546 Q C 2.487 178.511 176.000 0.040 0.000 0.982 546 Q CA 0.911 56.782 55.803 0.112 0.000 0.850 546 Q CB -0.143 28.675 28.738 0.133 0.000 0.901 546 Q HN 0.418 nan 8.270 nan 0.000 0.422 547 L N 0.173 121.354 121.223 -0.071 0.000 2.127 547 L HA -0.200 4.154 4.340 0.023 0.000 0.211 547 L C 2.427 179.171 176.870 -0.210 0.000 1.089 547 L CA 0.907 55.623 54.840 -0.206 0.000 0.757 547 L CB -0.663 41.172 42.059 -0.374 0.000 0.899 547 L HN 0.224 nan 8.230 nan 0.000 0.434 548 A N -0.779 121.938 122.820 -0.171 0.000 2.067 548 A HA -0.195 4.139 4.320 0.023 0.000 0.219 548 A C 1.753 179.141 177.584 -0.327 0.000 1.158 548 A CA 1.231 53.128 52.037 -0.233 0.000 0.661 548 A CB -0.708 18.160 19.000 -0.220 0.000 0.801 548 A HN 0.459 nan 8.150 nan 0.000 0.452 549 H N -1.273 117.573 119.070 -0.373 0.000 2.551 549 H HA 0.263 4.833 4.556 0.024 0.000 0.266 549 H C 1.536 176.551 175.328 -0.522 0.000 0.977 549 H CA 0.968 56.648 56.048 -0.613 0.000 1.163 549 H CB 0.094 29.077 29.762 -1.299 0.000 1.381 549 H HN 0.501 nan 8.280 nan 0.000 0.581 550 I N -1.224 119.228 120.570 -0.196 0.000 2.899 550 I HA 0.091 4.275 4.170 0.023 0.000 0.257 550 I C -0.151 175.886 176.117 -0.133 0.000 1.115 550 I CA 0.395 61.654 61.300 -0.069 0.000 1.451 550 I CB 0.716 38.706 38.000 -0.017 0.000 1.251 550 I HN 0.094 nan 8.210 nan 0.000 0.456 551 D N -0.618 119.630 120.400 -0.252 0.000 2.871 551 D HA 0.179 4.834 4.640 0.023 0.000 0.209 551 D C 0.343 176.468 176.300 -0.292 0.000 1.292 551 D CA -0.366 53.466 54.000 -0.281 0.000 0.869 551 D CB 1.280 41.791 40.800 -0.481 0.000 1.663 551 D HN -0.147 nan 8.370 nan 0.000 0.557 552 L N 2.444 123.558 121.223 -0.181 0.000 2.083 552 L HA -0.084 4.270 4.340 0.023 0.000 0.209 552 L C 1.696 178.480 176.870 -0.143 0.000 1.083 552 L CA 1.735 56.483 54.840 -0.153 0.000 0.752 552 L CB -0.794 41.207 42.059 -0.096 0.000 0.899 552 L HN 0.630 nan 8.230 nan 0.000 0.433 553 T N 0.227 114.719 114.554 -0.103 0.000 2.737 553 T HA -0.191 4.173 4.350 0.023 0.000 0.265 553 T C 1.841 176.469 174.700 -0.119 0.000 1.038 553 T CA 1.273 63.358 62.100 -0.024 0.000 1.144 553 T CB -0.308 68.640 68.868 0.134 0.000 0.866 553 T HN 0.181 nan 8.240 nan 0.000 0.434 554 L N 1.668 122.644 121.223 -0.412 0.000 2.012 554 L HA -0.007 4.348 4.340 0.023 0.000 0.210 554 L C 2.555 179.186 176.870 -0.398 0.000 1.073 554 L CA 2.081 56.528 54.840 -0.655 0.000 0.748 554 L CB -1.055 40.168 42.059 -1.394 0.000 0.891 554 L HN 0.218 nan 8.230 nan 0.000 0.431 555 A N -1.218 121.392 122.820 -0.351 0.000 1.898 555 A HA -0.231 4.103 4.320 0.023 0.000 0.216 555 A C 2.229 179.709 177.584 -0.174 0.000 1.181 555 A CA 1.726 53.602 52.037 -0.268 0.000 0.620 555 A CB -0.593 18.268 19.000 -0.231 0.000 0.819 555 A HN 0.671 nan 8.150 nan 0.000 0.442 556 Q N -0.799 118.922 119.800 -0.132 0.000 2.119 556 Q HA -0.082 4.272 4.340 0.023 0.000 0.201 556 Q C 2.395 178.365 176.000 -0.050 0.000 0.972 556 Q CA 1.266 57.022 55.803 -0.077 0.000 0.847 556 Q CB -0.322 28.384 28.738 -0.052 0.000 0.903 556 Q HN 0.697 nan 8.270 nan 0.000 0.433 557 A N 0.070 122.866 122.820 -0.040 0.000 1.897 557 A HA -0.105 4.229 4.320 0.023 0.000 0.215 557 A C 2.272 179.855 177.584 -0.002 0.000 1.181 557 A CA 1.077 53.119 52.037 0.009 0.000 0.620 557 A CB -0.522 18.515 19.000 0.062 0.000 0.821 557 A HN 0.200 nan 8.150 nan 0.000 0.443 558 V N -0.021 119.863 119.914 -0.051 0.000 2.358 558 V HA -0.230 3.904 4.120 0.023 0.000 0.246 558 V C 3.061 179.121 176.094 -0.057 0.000 1.047 558 V CA 1.856 64.124 62.300 -0.053 0.000 1.035 558 V CB -1.247 30.492 31.823 -0.140 0.000 0.658 558 V HN 0.597 nan 8.190 nan 0.000 0.452 559 A N -0.154 122.620 122.820 -0.076 0.000 1.940 559 A HA -0.298 4.036 4.320 0.023 0.000 0.219 559 A C 2.351 179.915 177.584 -0.033 0.000 1.176 559 A CA 2.312 54.312 52.037 -0.061 0.000 0.631 559 A CB -0.520 18.441 19.000 -0.066 0.000 0.814 559 A HN 0.543 nan 8.150 nan 0.000 0.446 560 K N -0.484 119.904 120.400 -0.020 0.000 2.097 560 K HA -0.171 4.163 4.320 0.023 0.000 0.206 560 K C 1.376 177.980 176.600 0.007 0.000 1.049 560 K CA 1.528 57.814 56.287 -0.002 0.000 0.933 560 K CB -0.196 32.309 32.500 0.009 0.000 0.717 560 K HN 0.406 nan 8.250 nan 0.000 0.442 561 N N 0.690 119.398 118.700 0.012 0.000 2.459 561 N HA -0.074 4.680 4.740 0.023 0.000 0.181 561 N C 1.191 176.704 175.510 0.005 0.000 1.046 561 N CA 0.771 53.835 53.050 0.023 0.000 0.904 561 N CB 0.138 38.651 38.487 0.044 0.000 0.964 561 N HN 0.266 nan 8.380 nan 0.000 0.444 562 L N -0.937 120.276 121.223 -0.016 0.000 2.640 562 L HA 0.265 4.619 4.340 0.023 0.000 0.230 562 L C 0.940 177.796 176.870 -0.023 0.000 1.123 562 L CA -0.095 54.725 54.840 -0.032 0.000 0.900 562 L CB 0.002 42.026 42.059 -0.058 0.000 1.146 562 L HN 0.069 nan 8.230 nan 0.000 0.484 563 G N 1.475 110.267 108.800 -0.013 0.000 2.198 563 G HA2 -0.288 3.686 3.960 0.023 0.000 0.260 563 G HA3 -0.288 3.686 3.960 0.023 0.000 0.260 563 G C 0.048 174.940 174.900 -0.013 0.000 1.025 563 G CA 0.167 45.261 45.100 -0.009 0.000 0.769 563 G HN 0.331 nan 8.290 nan 0.000 0.507 564 I N -0.067 120.491 120.570 -0.021 0.000 2.493 564 I HA 0.454 4.638 4.170 0.023 0.000 0.298 564 I C 0.207 176.309 176.117 -0.025 0.000 0.998 564 I CA -0.817 60.469 61.300 -0.024 0.000 1.137 564 I CB 1.936 39.915 38.000 -0.035 0.000 1.310 564 I HN 0.216 nan 8.210 nan 0.000 0.445 565 E N 7.019 127.206 120.200 -0.021 0.000 2.158 565 E HA 0.414 4.778 4.350 0.023 0.000 0.271 565 E C -1.189 175.394 176.600 -0.029 0.000 0.911 565 E CA -0.698 55.689 56.400 -0.023 0.000 0.767 565 E CB 1.356 31.046 29.700 -0.016 0.000 1.120 565 E HN 0.509 nan 8.360 nan 0.000 0.405 566 L N 3.620 124.820 121.223 -0.038 0.000 2.456 566 L HA 0.112 4.466 4.340 0.023 0.000 0.272 566 L C 1.096 177.943 176.870 -0.039 0.000 1.189 566 L CA -0.160 54.652 54.840 -0.046 0.000 0.846 566 L CB 0.411 42.433 42.059 -0.062 0.000 1.111 566 L HN 0.696 nan 8.230 nan 0.000 0.475 567 T N -2.369 112.162 114.554 -0.038 0.000 2.813 567 T HA 0.045 4.409 4.350 0.023 0.000 0.297 567 T C 0.818 175.494 174.700 -0.039 0.000 1.036 567 T CA -0.813 61.267 62.100 -0.032 0.000 1.044 567 T CB 1.023 69.875 68.868 -0.027 0.000 0.993 567 T HN 0.510 nan 8.240 nan 0.000 0.535 568 D N 0.708 121.089 120.400 -0.032 0.000 2.149 568 D HA -0.099 4.555 4.640 0.023 0.000 0.198 568 D C 1.546 177.819 176.300 -0.044 0.000 0.990 568 D CA 1.227 55.206 54.000 -0.035 0.000 0.839 568 D CB -0.243 40.542 40.800 -0.026 0.000 0.948 568 D HN 0.612 nan 8.370 nan 0.000 0.460 569 D N 0.629 121.003 120.400 -0.043 0.000 2.097 569 D HA -0.116 4.538 4.640 0.023 0.000 0.195 569 D C 2.165 178.413 176.300 -0.086 0.000 0.989 569 D CA 0.789 54.758 54.000 -0.053 0.000 0.827 569 D CB -0.260 40.516 40.800 -0.040 0.000 0.966 569 D HN 0.292 nan 8.370 nan 0.000 0.456 570 Q N -0.146 119.601 119.800 -0.089 0.000 2.135 570 Q HA -0.092 4.262 4.340 0.023 0.000 0.204 570 Q C 2.324 178.242 176.000 -0.136 0.000 0.981 570 Q CA 0.724 56.448 55.803 -0.132 0.000 0.856 570 Q CB -0.141 28.534 28.738 -0.105 0.000 0.902 570 Q HN 0.330 nan 8.270 nan 0.000 0.425 571 L N 0.623 121.789 121.223 -0.096 0.000 2.353 571 L HA -0.140 4.214 4.340 0.023 0.000 0.220 571 L C 1.210 178.029 176.870 -0.086 0.000 1.133 571 L CA 0.486 55.275 54.840 -0.085 0.000 0.798 571 L CB -0.138 41.886 42.059 -0.059 0.000 0.922 571 L HN 0.240 nan 8.230 nan 0.000 0.445 572 N N -0.375 118.271 118.700 -0.090 0.000 2.203 572 N HA 0.244 4.998 4.740 0.023 0.000 0.207 572 N C 0.312 175.761 175.510 -0.101 0.000 1.130 572 N CA 0.004 53.007 53.050 -0.079 0.000 0.861 572 N CB 0.612 39.064 38.487 -0.058 0.000 1.005 572 N HN 0.196 nan 8.380 nan 0.000 0.507 573 I N 1.575 122.049 120.570 -0.160 0.000 2.683 573 I HA -0.077 4.107 4.170 0.023 0.000 0.286 573 I C 1.244 177.272 176.117 -0.147 0.000 1.175 573 I CA 0.234 61.411 61.300 -0.206 0.000 1.429 573 I CB 0.507 38.253 38.000 -0.423 0.000 1.371 573 I HN -0.016 nan 8.210 nan 0.000 0.569 574 T N 6.772 121.269 114.554 -0.095 0.000 2.884 574 T HA 0.344 4.708 4.350 0.023 0.000 0.298 574 T C -2.044 172.625 174.700 -0.051 0.000 0.998 574 T CA -1.488 60.580 62.100 -0.054 0.000 1.124 574 T CB 0.946 69.801 68.868 -0.021 0.000 0.931 574 T HN 0.354 nan 8.240 nan 0.000 0.531 575 P HA 0.272 nan 4.420 nan 0.000 0.270 575 P C -2.413 174.906 177.300 0.033 0.000 1.223 575 P CA -1.320 61.770 63.100 -0.016 0.000 0.785 575 P CB -0.532 31.167 31.700 -0.002 0.000 0.923 576 P HA 0.242 nan 4.420 nan 0.000 0.272 576 P C -2.531 174.826 177.300 0.095 0.000 1.240 576 P CA -1.315 61.857 63.100 0.120 0.000 0.791 576 P CB -1.024 30.799 31.700 0.205 0.000 0.978 577 P HA 0.101 nan 4.420 nan 0.000 0.269 577 P C -0.190 177.160 177.300 0.084 0.000 1.215 577 P CA 0.175 63.323 63.100 0.080 0.000 0.780 577 P CB 0.125 31.875 31.700 0.083 0.000 0.898 578 D N -0.029 120.412 120.400 0.069 0.000 2.370 578 D HA 0.010 4.664 4.640 0.023 0.000 0.235 578 D C -0.124 176.224 176.300 0.080 0.000 1.228 578 D CA 0.302 54.340 54.000 0.063 0.000 0.884 578 D CB 0.241 41.073 40.800 0.054 0.000 1.201 578 D HN -0.046 nan 8.370 nan 0.000 0.456 579 V N 2.440 122.393 119.914 0.065 0.000 2.334 579 V HA 0.075 4.209 4.120 0.023 0.000 0.267 579 V C 0.215 176.402 176.094 0.156 0.000 1.040 579 V CA -0.509 61.860 62.300 0.115 0.000 0.866 579 V CB -0.117 31.689 31.823 -0.028 0.000 1.019 579 V HN 0.595 nan 8.190 nan 0.000 0.468 580 N N 4.397 123.200 118.700 0.173 0.000 2.714 580 N HA -0.226 4.528 4.740 0.023 0.000 0.252 580 N C 1.175 176.741 175.510 0.094 0.000 1.014 580 N CA 1.054 54.186 53.050 0.136 0.000 0.735 580 N CB -0.873 37.731 38.487 0.196 0.000 0.924 580 N HN 1.303 nan 8.380 nan 0.000 0.540 581 G N -2.572 106.273 108.800 0.075 0.000 2.184 581 G HA2 -0.315 3.659 3.960 0.023 0.000 0.264 581 G HA3 -0.315 3.659 3.960 0.023 0.000 0.264 581 G C -0.045 174.885 174.900 0.050 0.000 0.975 581 G CA 0.243 45.375 45.100 0.054 0.000 0.642 581 G HN 0.330 nan 8.290 nan 0.000 0.536 582 L N 0.099 121.356 121.223 0.058 0.000 2.326 582 L HA 0.475 4.829 4.340 0.023 0.000 0.278 582 L C 1.330 178.218 176.870 0.029 0.000 1.092 582 L CA 0.229 55.094 54.840 0.042 0.000 0.810 582 L CB 1.362 43.447 42.059 0.044 0.000 1.153 582 L HN 0.174 nan 8.230 nan 0.000 0.439 583 K N 2.499 122.911 120.400 0.020 0.000 2.358 583 K HA 0.149 4.483 4.320 0.023 0.000 0.200 583 K C -0.298 176.299 176.600 -0.004 0.000 1.030 583 K CA 0.077 56.372 56.287 0.014 0.000 1.097 583 K CB 0.563 33.072 32.500 0.014 0.000 0.862 583 K HN 0.638 nan 8.250 nan 0.000 0.534 584 K N -0.588 119.805 120.400 -0.011 0.000 2.736 584 K HA 0.210 4.544 4.320 0.023 0.000 0.290 584 K C -2.175 174.411 176.600 -0.022 0.000 1.033 584 K CA -0.983 55.281 56.287 -0.038 0.000 0.852 584 K CB 1.157 33.614 32.500 -0.071 0.000 1.494 584 K HN -0.237 nan 8.250 nan 0.000 0.378 585 D N 1.376 121.757 120.400 -0.032 0.000 2.478 585 D HA 0.310 4.964 4.640 0.023 0.000 0.240 585 D C -2.194 174.092 176.300 -0.023 0.000 1.364 585 D CA -2.006 51.994 54.000 -0.000 0.000 0.987 585 D CB 2.165 42.988 40.800 0.039 0.000 1.328 585 D HN 0.250 nan 8.370 nan 0.000 0.584 586 P HA -0.093 nan 4.420 nan 0.000 0.225 586 P C 1.248 178.541 177.300 -0.012 0.000 1.148 586 P CA 0.776 63.849 63.100 -0.046 0.000 0.779 586 P CB 0.165 31.847 31.700 -0.030 0.000 0.780 587 S N -1.130 114.595 115.700 0.043 0.000 2.547 587 S HA -0.044 4.441 4.470 0.023 0.000 0.235 587 S C 1.632 176.316 174.600 0.140 0.000 0.980 587 S CA 0.680 58.941 58.200 0.103 0.000 0.941 587 S CB -1.381 61.909 63.200 0.150 0.000 0.763 587 S HN 0.148 nan 8.310 nan 0.000 0.532 588 L N 1.094 122.357 121.223 0.067 0.000 2.492 588 L HA 0.206 4.560 4.340 0.023 0.000 0.223 588 L C 1.481 178.230 176.870 -0.202 0.000 1.132 588 L CA 0.077 54.942 54.840 0.041 0.000 0.850 588 L CB -0.271 41.795 42.059 0.011 0.000 0.966 588 L HN 0.308 nan 8.230 nan 0.000 0.454 589 S N -0.425 115.149 115.700 -0.211 0.000 2.610 589 S HA 0.285 4.770 4.470 0.023 0.000 0.273 589 S C 1.087 175.563 174.600 -0.206 0.000 1.274 589 S CA -0.601 57.420 58.200 -0.297 0.000 1.023 589 S CB 1.272 64.306 63.200 -0.278 0.000 0.962 589 S HN 0.157 nan 8.310 nan 0.000 0.523 590 L N 2.904 123.920 121.223 -0.344 0.000 2.179 590 L HA 0.036 4.390 4.340 0.023 0.000 0.208 590 L C 0.840 177.426 176.870 -0.472 0.000 1.096 590 L CA 1.060 55.592 54.840 -0.514 0.000 0.779 590 L CB -0.234 41.184 42.059 -1.068 0.000 0.922 590 L HN 0.751 nan 8.230 nan 0.000 0.443 591 Y N -2.313 117.983 120.300 -0.007 0.000 2.432 591 Y HA 0.329 4.893 4.550 0.023 0.000 0.252 591 Y C 2.142 178.071 175.900 0.048 0.000 1.097 591 Y CA -0.218 57.934 58.100 0.086 0.000 1.250 591 Y CB -0.411 38.137 38.460 0.146 0.000 1.245 591 Y HN -0.054 nan 8.280 nan 0.000 0.522 592 A N 0.575 123.428 122.820 0.056 0.000 1.978 592 A HA -0.043 4.291 4.320 0.023 0.000 0.220 592 A C 0.919 178.540 177.584 0.061 0.000 1.170 592 A CA 1.109 53.153 52.037 0.011 0.000 0.636 592 A CB -0.667 18.279 19.000 -0.089 0.000 0.810 592 A HN 0.279 nan 8.150 nan 0.000 0.448 593 I N 1.648 122.261 120.570 0.071 0.000 2.354 593 I HA 0.234 4.418 4.170 0.023 0.000 0.286 593 I C -2.313 173.876 176.117 0.120 0.000 1.007 593 I CA -2.326 59.023 61.300 0.082 0.000 1.167 593 I CB 1.535 39.572 38.000 0.062 0.000 1.320 593 I HN 0.068 nan 8.210 nan 0.000 0.458 594 P HA -0.025 nan 4.420 nan 0.000 0.260 594 P C -0.524 176.852 177.300 0.127 0.000 1.172 594 P CA 0.305 63.497 63.100 0.154 0.000 0.760 594 P CB 0.465 32.240 31.700 0.126 0.000 0.773 595 D N 1.385 121.871 120.400 0.144 0.000 2.865 595 D HA 0.155 4.809 4.640 0.023 0.000 0.347 595 D C 0.452 176.816 176.300 0.107 0.000 1.498 595 D CA -0.538 53.529 54.000 0.110 0.000 0.787 595 D CB -0.335 40.526 40.800 0.101 0.000 1.190 595 D HN 0.306 nan 8.370 nan 0.000 0.445 596 G N 0.019 108.889 108.800 0.117 0.000 2.483 596 G HA2 0.390 4.364 3.960 0.023 0.000 0.248 596 G HA3 0.390 4.364 3.960 0.023 0.000 0.248 596 G C -0.747 174.193 174.900 0.067 0.000 1.248 596 G CA -0.199 44.965 45.100 0.107 0.000 0.838 596 G HN 0.176 nan 8.290 nan 0.000 0.566 597 D N 0.772 121.203 120.400 0.052 0.000 2.788 597 D HA 0.188 4.842 4.640 0.023 0.000 0.247 597 D C 1.055 177.369 176.300 0.022 0.000 1.236 597 D CA -0.620 53.397 54.000 0.028 0.000 0.898 597 D CB 1.946 42.756 40.800 0.016 0.000 1.401 597 D HN 0.276 nan 8.370 nan 0.000 0.549 598 V N 1.922 121.842 119.914 0.010 0.000 3.129 598 V HA 0.200 4.334 4.120 0.023 0.000 0.259 598 V C 1.035 177.112 176.094 -0.029 0.000 1.116 598 V CA 0.283 62.583 62.300 -0.000 0.000 1.127 598 V CB -0.709 31.109 31.823 -0.008 0.000 0.742 598 V HN 0.402 nan 8.190 nan 0.000 0.474 599 K N 1.266 121.642 120.400 -0.040 0.000 2.447 599 K HA 0.395 4.729 4.320 0.023 0.000 0.281 599 K C 1.224 177.785 176.600 -0.065 0.000 1.031 599 K CA 1.047 57.289 56.287 -0.075 0.000 1.019 599 K CB 0.107 32.569 32.500 -0.064 0.000 0.918 599 K HN 0.692 nan 8.250 nan 0.000 0.476 600 G N 3.275 112.007 108.800 -0.115 0.000 2.194 600 G HA2 -0.211 3.763 3.960 0.023 0.000 0.236 600 G HA3 -0.211 3.763 3.960 0.023 0.000 0.236 600 G C 0.094 175.041 174.900 0.078 0.000 0.987 600 G CA -0.283 44.825 45.100 0.014 0.000 0.635 600 G HN 0.566 nan 8.290 nan 0.000 0.520 601 R N -0.178 120.336 120.500 0.024 0.000 2.738 601 R HA 0.670 5.024 4.340 0.023 0.000 0.275 601 R C -0.014 176.342 176.300 0.093 0.000 1.121 601 R CA 0.033 56.177 56.100 0.073 0.000 1.207 601 R CB 0.861 31.196 30.300 0.058 0.000 1.141 601 R HN 0.653 nan 8.270 nan 0.000 0.571 602 V N 0.342 120.329 119.914 0.122 0.000 2.888 602 V HA 0.411 4.545 4.120 0.023 0.000 0.309 602 V C -1.145 175.016 176.094 0.111 0.000 1.114 602 V CA -0.745 61.641 62.300 0.143 0.000 0.940 602 V CB 2.495 34.429 31.823 0.185 0.000 1.021 602 V HN 0.366 nan 8.190 nan 0.000 0.426 603 V N 5.606 125.579 119.914 0.099 0.000 2.495 603 V HA 0.800 4.934 4.120 0.023 0.000 0.298 603 V C 0.496 176.645 176.094 0.093 0.000 1.031 603 V CA -0.211 62.138 62.300 0.081 0.000 0.871 603 V CB 1.676 33.531 31.823 0.055 0.000 0.988 603 V HN 1.171 nan 8.190 nan 0.000 0.432 604 A N 5.951 128.834 122.820 0.106 0.000 2.363 604 A HA 0.764 5.098 4.320 0.023 0.000 0.270 604 A C -0.431 177.163 177.584 0.017 0.000 1.121 604 A CA -0.210 51.873 52.037 0.076 0.000 0.800 604 A CB 0.108 19.179 19.000 0.118 0.000 1.052 604 A HN 0.766 nan 8.150 nan 0.000 0.493 605 I N 3.152 123.725 120.570 0.006 0.000 2.389 605 I HA 0.217 4.401 4.170 0.023 0.000 0.288 605 I C -0.669 175.451 176.117 0.005 0.000 0.999 605 I CA -0.266 61.039 61.300 0.009 0.000 1.129 605 I CB 1.530 39.547 38.000 0.029 0.000 1.288 605 I HN 0.489 nan 8.210 nan 0.000 0.444 606 L N 7.232 128.449 121.223 -0.011 0.000 2.268 606 L HA 0.427 4.781 4.340 0.023 0.000 0.289 606 L C 0.011 176.980 176.870 0.164 0.000 1.064 606 L CA -0.396 54.495 54.840 0.085 0.000 0.824 606 L CB 0.322 42.295 42.059 -0.143 0.000 1.202 606 L HN 0.432 nan 8.230 nan 0.000 0.433 607 L N 3.505 124.870 121.223 0.237 0.000 2.466 607 L HA 0.264 4.618 4.340 0.023 0.000 0.257 607 L C 0.211 177.251 176.870 0.284 0.000 1.189 607 L CA -0.301 54.628 54.840 0.148 0.000 0.813 607 L CB 0.953 43.004 42.059 -0.014 0.000 1.118 607 L HN 0.712 nan 8.230 nan 0.000 0.471 608 N N -1.901 116.864 118.700 0.110 0.000 2.577 608 N HA 0.234 4.988 4.740 0.023 0.000 0.285 608 N C -0.354 175.110 175.510 -0.076 0.000 1.309 608 N CA -0.774 52.375 53.050 0.164 0.000 0.798 608 N CB 0.732 39.320 38.487 0.168 0.000 1.463 608 N HN 0.528 nan 8.380 nan 0.000 0.518 609 D N -1.838 118.564 120.400 0.003 0.000 2.349 609 D HA -0.038 4.616 4.640 0.023 0.000 0.224 609 D C -0.420 175.846 176.300 -0.058 0.000 1.029 609 D CA 0.603 54.546 54.000 -0.094 0.000 0.879 609 D CB -0.101 40.717 40.800 0.031 0.000 0.906 609 D HN 0.736 nan 8.370 nan 0.000 0.528 610 E N 0.618 120.801 120.200 -0.029 0.000 3.544 610 E HA 0.196 4.560 4.350 0.023 0.000 0.264 610 E C -1.168 175.419 176.600 -0.022 0.000 1.225 610 E CA -0.362 56.022 56.400 -0.027 0.000 1.045 610 E CB 1.097 30.789 29.700 -0.013 0.000 1.338 610 E HN -0.120 nan 8.360 nan 0.000 0.395 611 V N 2.190 122.082 119.914 -0.036 0.000 2.655 611 V HA 0.065 4.199 4.120 0.023 0.000 0.300 611 V C 0.960 177.038 176.094 -0.028 0.000 1.044 611 V CA 0.210 62.494 62.300 -0.026 0.000 1.095 611 V CB 0.933 32.734 31.823 -0.037 0.000 0.952 611 V HN 0.474 nan 8.190 nan 0.000 0.485 612 R N 3.323 123.808 120.500 -0.026 0.000 2.413 612 R HA 0.029 4.383 4.340 0.023 0.000 0.333 612 R C 1.609 177.886 176.300 -0.037 0.000 1.074 612 R CA 0.484 56.564 56.100 -0.033 0.000 0.982 612 R CB 0.258 30.534 30.300 -0.040 0.000 0.981 612 R HN 1.024 nan 8.270 nan 0.000 0.452 613 S N 3.309 118.989 115.700 -0.034 0.000 2.383 613 S HA -0.250 4.234 4.470 0.023 0.000 0.229 613 S C 1.990 176.570 174.600 -0.034 0.000 1.030 613 S CA 1.085 59.266 58.200 -0.032 0.000 1.002 613 S CB -0.148 63.036 63.200 -0.028 0.000 0.829 613 S HN 0.677 nan 8.310 nan 0.000 0.467 614 A N 2.155 124.952 122.820 -0.038 0.000 1.933 614 A HA -0.120 4.215 4.320 0.023 0.000 0.218 614 A C 1.986 179.536 177.584 -0.057 0.000 1.175 614 A CA 1.710 53.722 52.037 -0.042 0.000 0.628 614 A CB -0.879 18.095 19.000 -0.043 0.000 0.814 614 A HN 0.476 nan 8.150 nan 0.000 0.444 615 D N -0.259 120.096 120.400 -0.075 0.000 2.097 615 D HA -0.110 4.544 4.640 0.023 0.000 0.195 615 D C 1.915 178.175 176.300 -0.067 0.000 0.989 615 D CA 0.853 54.787 54.000 -0.110 0.000 0.827 615 D CB -0.317 40.406 40.800 -0.128 0.000 0.966 615 D HN 0.372 nan 8.370 nan 0.000 0.456 616 L N 0.352 121.550 121.223 -0.042 0.000 2.093 616 L HA -0.109 4.245 4.340 0.023 0.000 0.208 616 L C 2.364 179.228 176.870 -0.011 0.000 1.085 616 L CA 0.635 55.463 54.840 -0.019 0.000 0.755 616 L CB -0.147 41.901 42.059 -0.017 0.000 0.904 616 L HN 0.091 nan 8.230 nan 0.000 0.435 617 L N -0.611 120.602 121.223 -0.017 0.000 2.042 617 L HA -0.232 4.123 4.340 0.023 0.000 0.210 617 L C 2.793 179.660 176.870 -0.004 0.000 1.076 617 L CA 1.329 56.163 54.840 -0.010 0.000 0.749 617 L CB -0.692 41.358 42.059 -0.014 0.000 0.893 617 L HN 0.291 nan 8.230 nan 0.000 0.432 618 A N 0.171 122.984 122.820 -0.012 0.000 1.873 618 A HA -0.147 4.187 4.320 0.023 0.000 0.215 618 A C 2.178 179.775 177.584 0.023 0.000 1.186 618 A CA 1.323 53.358 52.037 -0.002 0.000 0.616 618 A CB -0.570 18.416 19.000 -0.023 0.000 0.823 618 A HN 0.313 nan 8.150 nan 0.000 0.442 619 I N -0.213 120.372 120.570 0.025 0.000 2.127 619 I HA -0.279 3.905 4.170 0.023 0.000 0.241 619 I C 2.381 178.526 176.117 0.047 0.000 1.075 619 I CA 1.357 62.696 61.300 0.065 0.000 1.334 619 I CB -0.346 37.697 38.000 0.071 0.000 1.040 619 I HN 0.273 nan 8.210 nan 0.000 0.405 620 L N 0.175 121.416 121.223 0.030 0.000 2.093 620 L HA -0.184 4.170 4.340 0.023 0.000 0.208 620 L C 2.548 179.430 176.870 0.020 0.000 1.085 620 L CA 1.245 56.100 54.840 0.026 0.000 0.755 620 L CB -0.506 41.566 42.059 0.021 0.000 0.904 620 L HN 0.203 nan 8.230 nan 0.000 0.435 621 K N 0.237 120.647 120.400 0.016 0.000 2.155 621 K HA -0.090 4.244 4.320 0.023 0.000 0.203 621 K C 2.181 178.788 176.600 0.012 0.000 1.052 621 K CA 0.973 57.267 56.287 0.012 0.000 0.948 621 K CB 0.019 32.525 32.500 0.009 0.000 0.728 621 K HN 0.249 nan 8.250 nan 0.000 0.448 622 A N 1.257 124.089 122.820 0.021 0.000 1.902 622 A HA -0.133 4.201 4.320 0.023 0.000 0.217 622 A C 2.037 179.626 177.584 0.008 0.000 1.181 622 A CA 1.180 53.229 52.037 0.021 0.000 0.623 622 A CB -0.598 18.427 19.000 0.041 0.000 0.818 622 A HN 0.256 nan 8.150 nan 0.000 0.443 623 L N -0.604 120.626 121.223 0.011 0.000 2.017 623 L HA -0.207 4.147 4.340 0.023 0.000 0.208 623 L C 2.711 179.561 176.870 -0.032 0.000 1.073 623 L CA 1.762 56.597 54.840 -0.010 0.000 0.745 623 L CB -0.525 41.536 42.059 0.004 0.000 0.894 623 L HN 0.344 nan 8.230 nan 0.000 0.432 624 K N 0.800 121.191 120.400 -0.016 0.000 2.103 624 K HA -0.193 4.141 4.320 0.023 0.000 0.207 624 K C 1.982 178.565 176.600 -0.030 0.000 1.048 624 K CA 1.686 57.960 56.287 -0.022 0.000 0.930 624 K CB -0.160 32.340 32.500 0.000 0.000 0.716 624 K HN 0.298 nan 8.250 nan 0.000 0.444 625 A N 0.851 123.660 122.820 -0.019 0.000 2.125 625 A HA -0.086 4.248 4.320 0.023 0.000 0.219 625 A C 1.539 179.107 177.584 -0.027 0.000 1.156 625 A CA 1.269 53.296 52.037 -0.017 0.000 0.671 625 A CB -0.020 18.976 19.000 -0.007 0.000 0.794 625 A HN 0.146 nan 8.150 nan 0.000 0.459 626 K N -1.636 118.740 120.400 -0.040 0.000 2.413 626 K HA 0.250 4.584 4.320 0.023 0.000 0.204 626 K C 0.860 177.411 176.600 -0.082 0.000 1.041 626 K CA 0.530 56.789 56.287 -0.047 0.000 1.082 626 K CB 0.183 32.661 32.500 -0.037 0.000 0.871 626 K HN 0.694 nan 8.250 nan 0.000 0.535 627 G N 1.455 110.189 108.800 -0.110 0.000 2.160 627 G HA2 -0.232 3.742 3.960 0.023 0.000 0.251 627 G HA3 -0.232 3.742 3.960 0.023 0.000 0.251 627 G C 0.022 174.712 174.900 -0.349 0.000 1.008 627 G CA 0.249 45.233 45.100 -0.194 0.000 0.724 627 G HN 0.099 nan 8.290 nan 0.000 0.514 628 V N 0.934 120.689 119.914 -0.265 0.000 2.407 628 V HA 0.482 4.616 4.120 0.023 0.000 0.278 628 V C 0.777 176.705 176.094 -0.275 0.000 1.037 628 V CA -0.769 61.376 62.300 -0.259 0.000 0.900 628 V CB 1.004 32.768 31.823 -0.098 0.000 0.983 628 V HN 0.447 nan 8.190 nan 0.000 0.459 629 H N 1.931 121.013 119.070 0.020 0.000 2.508 629 H HA 0.757 5.328 4.556 0.024 0.000 0.358 629 H C 0.248 175.596 175.328 0.033 0.000 1.212 629 H CA 0.169 56.230 56.048 0.023 0.000 1.356 629 H CB 1.192 30.969 29.762 0.025 0.000 1.525 629 H HN 0.852 nan 8.280 nan 0.000 0.578 630 A N 1.110 124.037 122.820 0.177 0.000 2.454 630 A HA 0.547 4.881 4.320 0.023 0.000 0.302 630 A C -1.132 176.509 177.584 0.094 0.000 1.079 630 A CA -1.033 51.069 52.037 0.109 0.000 0.731 630 A CB 1.234 20.278 19.000 0.074 0.000 1.299 630 A HN 0.793 nan 8.150 nan 0.000 0.413 631 K N 2.316 122.764 120.400 0.080 0.000 2.502 631 K HA 0.627 4.961 4.320 0.023 0.000 0.254 631 K C -1.599 175.026 176.600 0.042 0.000 0.947 631 K CA -0.477 55.848 56.287 0.063 0.000 0.834 631 K CB 1.290 33.837 32.500 0.079 0.000 1.112 631 K HN 0.528 nan 8.250 nan 0.000 0.427 632 L N 5.308 126.546 121.223 0.026 0.000 2.315 632 L HA 0.327 4.681 4.340 0.023 0.000 0.283 632 L C -0.372 176.496 176.870 -0.003 0.000 1.089 632 L CA -0.585 54.261 54.840 0.011 0.000 0.833 632 L CB 0.159 42.217 42.059 -0.001 0.000 1.170 632 L HN 0.541 nan 8.230 nan 0.000 0.442 633 L N 3.875 125.097 121.223 -0.001 0.000 2.342 633 L HA 0.592 4.946 4.340 0.023 0.000 0.271 633 L C -0.776 176.011 176.870 -0.138 0.000 1.008 633 L CA -0.728 54.066 54.840 -0.077 0.000 0.818 633 L CB 2.022 44.055 42.059 -0.043 0.000 1.296 633 L HN 0.408 nan 8.230 nan 0.000 0.427 634 Y N -0.285 119.580 120.300 -0.726 0.000 2.967 634 Y HA 0.189 4.753 4.550 0.023 0.000 0.311 634 Y C 0.822 175.901 175.900 -1.368 0.000 1.555 634 Y CA -0.645 56.895 58.100 -0.933 0.000 1.084 634 Y CB 1.393 39.653 38.460 -0.334 0.000 1.508 634 Y HN 0.538 nan 8.280 nan 0.000 0.457 635 S N 0.568 115.379 115.700 -1.481 0.000 2.593 635 S HA 0.287 4.771 4.470 0.023 0.000 0.217 635 S C 0.013 174.338 174.600 -0.458 0.000 0.966 635 S CA 0.338 58.050 58.200 -0.813 0.000 0.914 635 S CB -0.079 62.769 63.200 -0.586 0.000 0.776 635 S HN 0.618 nan 8.310 nan 0.000 0.523 636 R N -1.281 119.010 120.500 -0.348 0.000 2.747 636 R HA 0.620 4.974 4.340 0.023 0.000 0.272 636 R C -0.902 175.383 176.300 -0.025 0.000 1.032 636 R CA -1.088 54.943 56.100 -0.116 0.000 0.896 636 R CB 0.426 30.700 30.300 -0.044 0.000 1.253 636 R HN -0.066 nan 8.270 nan 0.000 0.461 637 M N 0.148 119.741 119.600 -0.012 0.000 2.219 637 M HA 0.549 5.043 4.480 0.023 0.000 0.280 637 M C 0.963 177.278 176.300 0.025 0.000 1.189 637 M CA 0.898 56.199 55.300 0.002 0.000 1.010 637 M CB 0.632 33.226 32.600 -0.009 0.000 1.422 637 M HN 1.054 nan 8.290 nan 0.000 0.504 638 G N 1.015 109.821 108.800 0.011 0.000 2.715 638 G HA2 -0.113 3.861 3.960 0.023 0.000 0.221 638 G HA3 -0.113 3.861 3.960 0.023 0.000 0.221 638 G C -0.934 173.961 174.900 -0.008 0.000 1.204 638 G CA -0.524 44.579 45.100 0.006 0.000 1.063 638 G HN 0.620 nan 8.290 nan 0.000 0.586 639 E N -0.942 119.247 120.200 -0.018 0.000 2.393 639 E HA 0.628 4.992 4.350 0.023 0.000 0.273 639 E C -0.455 176.088 176.600 -0.096 0.000 0.918 639 E CA -0.554 55.814 56.400 -0.052 0.000 0.773 639 E CB 2.982 32.659 29.700 -0.039 0.000 1.275 639 E HN 1.233 nan 8.360 nan 0.000 0.451 640 V N -1.931 117.891 119.914 -0.154 0.000 3.074 640 V HA 0.720 4.854 4.120 0.023 0.000 0.314 640 V C -0.511 175.506 176.094 -0.128 0.000 1.117 640 V CA -0.712 61.470 62.300 -0.197 0.000 1.014 640 V CB 1.963 33.550 31.823 -0.394 0.000 1.057 640 V HN 0.629 nan 8.190 nan 0.000 0.438 641 T N 2.450 116.942 114.554 -0.103 0.000 2.779 641 T HA 0.774 5.138 4.350 0.023 0.000 0.280 641 T C 0.285 174.945 174.700 -0.065 0.000 0.987 641 T CA 0.253 62.312 62.100 -0.069 0.000 0.966 641 T CB 1.306 70.146 68.868 -0.047 0.000 0.933 641 T HN 1.346 nan 8.240 nan 0.000 0.442 642 A N 2.481 125.268 122.820 -0.055 0.000 2.327 642 A HA 0.354 4.688 4.320 0.023 0.000 0.255 642 A C 1.646 179.210 177.584 -0.035 0.000 1.099 642 A CA -0.366 51.643 52.037 -0.046 0.000 0.801 642 A CB 0.076 19.052 19.000 -0.041 0.000 1.062 642 A HN 0.929 nan 8.150 nan 0.000 0.496 643 D N 0.407 120.789 120.400 -0.030 0.000 2.191 643 D HA -0.253 4.401 4.640 0.023 0.000 0.195 643 D C 0.725 177.012 176.300 -0.022 0.000 1.003 643 D CA 1.931 55.916 54.000 -0.024 0.000 0.867 643 D CB -0.338 40.448 40.800 -0.023 0.000 0.926 643 D HN 0.643 nan 8.370 nan 0.000 0.450 644 D N -1.496 118.891 120.400 -0.023 0.000 2.340 644 D HA 0.179 4.833 4.640 0.023 0.000 0.217 644 D C 1.650 177.939 176.300 -0.019 0.000 1.081 644 D CA 0.619 54.607 54.000 -0.020 0.000 0.842 644 D CB 0.009 40.797 40.800 -0.019 0.000 0.934 644 D HN 0.431 nan 8.370 nan 0.000 0.511 645 G N -0.033 108.754 108.800 -0.022 0.000 2.195 645 G HA2 -0.264 3.710 3.960 0.023 0.000 0.246 645 G HA3 -0.264 3.710 3.960 0.023 0.000 0.246 645 G C 0.435 175.321 174.900 -0.023 0.000 0.984 645 G CA 0.290 45.378 45.100 -0.021 0.000 0.633 645 G HN 0.441 nan 8.290 nan 0.000 0.525 646 T N 1.460 115.999 114.554 -0.025 0.000 2.888 646 T HA 0.420 4.784 4.350 0.023 0.000 0.301 646 T C 0.635 175.315 174.700 -0.033 0.000 1.001 646 T CA 0.104 62.189 62.100 -0.025 0.000 1.147 646 T CB 2.098 70.951 68.868 -0.025 0.000 0.931 646 T HN 0.454 nan 8.240 nan 0.000 0.541 647 V N 5.525 125.420 119.914 -0.030 0.000 2.432 647 V HA 0.218 4.352 4.120 0.023 0.000 0.271 647 V C -0.191 175.879 176.094 -0.039 0.000 1.046 647 V CA -0.752 61.526 62.300 -0.036 0.000 0.945 647 V CB 0.785 32.591 31.823 -0.028 0.000 0.992 647 V HN 0.558 nan 8.190 nan 0.000 0.471 648 L N 8.892 130.082 121.223 -0.055 0.000 2.280 648 L HA 0.524 4.878 4.340 0.023 0.000 0.287 648 L C -2.129 174.708 176.870 -0.056 0.000 1.023 648 L CA -2.561 52.246 54.840 -0.056 0.000 0.819 648 L CB 1.355 43.369 42.059 -0.076 0.000 1.212 648 L HN 0.425 nan 8.230 nan 0.000 0.420 649 P HA 0.314 nan 4.420 nan 0.000 0.285 649 P C -0.368 176.915 177.300 -0.029 0.000 1.259 649 P CA -0.340 62.743 63.100 -0.029 0.000 0.794 649 P CB 1.290 32.980 31.700 -0.015 0.000 0.940 650 I N 2.289 122.843 120.570 -0.027 0.000 2.365 650 I HA 0.224 4.408 4.170 0.023 0.000 0.291 650 I C 1.572 177.681 176.117 -0.013 0.000 1.004 650 I CA -0.381 60.906 61.300 -0.022 0.000 1.311 650 I CB 1.435 39.429 38.000 -0.010 0.000 1.401 650 I HN 0.369 nan 8.210 nan 0.000 0.491 651 A N 5.194 128.008 122.820 -0.010 0.000 1.903 651 A HA 0.611 4.945 4.320 0.023 0.000 0.213 651 A C 0.936 178.518 177.584 -0.003 0.000 1.185 651 A CA 1.114 53.151 52.037 0.000 0.000 0.628 651 A CB 0.060 19.068 19.000 0.014 0.000 0.830 651 A HN 0.806 nan 8.150 nan 0.000 0.446 652 A N -1.823 120.986 122.820 -0.018 0.000 2.601 652 A HA 0.567 4.901 4.320 0.023 0.000 0.291 652 A C -0.045 177.486 177.584 -0.089 0.000 1.075 652 A CA 0.076 52.099 52.037 -0.023 0.000 0.671 652 A CB -0.209 18.803 19.000 0.021 0.000 1.277 652 A HN 0.771 nan 8.150 nan 0.000 0.417 653 T N -1.306 113.188 114.554 -0.100 0.000 2.849 653 T HA 0.526 4.890 4.350 0.023 0.000 0.284 653 T C 0.996 175.637 174.700 -0.098 0.000 1.004 653 T CA 0.137 62.108 62.100 -0.215 0.000 1.021 653 T CB 0.008 68.786 68.868 -0.150 0.000 1.013 653 T HN 0.469 nan 8.240 nan 0.000 0.527 654 F N 0.739 120.712 119.950 0.038 0.000 2.091 654 F HA -0.048 4.493 4.527 0.023 0.000 0.299 654 F C 2.982 178.916 175.800 0.224 0.000 1.103 654 F CA 1.167 59.244 58.000 0.127 0.000 1.228 654 F CB -0.765 38.288 39.000 0.088 0.000 0.984 654 F HN 0.706 nan 8.300 nan 0.000 0.477 655 A N 0.292 123.286 122.820 0.290 0.000 1.968 655 A HA 0.035 4.369 4.320 0.023 0.000 0.217 655 A C 2.424 180.081 177.584 0.121 0.000 1.169 655 A CA 1.402 53.547 52.037 0.180 0.000 0.638 655 A CB -1.441 17.624 19.000 0.109 0.000 0.812 655 A HN 0.405 nan 8.150 nan 0.000 0.446 656 G N -0.776 108.082 108.800 0.096 0.000 2.422 656 G HA2 0.244 4.218 3.960 0.023 0.000 0.218 656 G HA3 0.244 4.218 3.960 0.023 0.000 0.218 656 G C 0.704 175.658 174.900 0.089 0.000 1.140 656 G CA 0.992 46.132 45.100 0.065 0.000 0.775 656 G HN 1.084 nan 8.290 nan 0.000 0.545 657 A N 0.712 123.622 122.820 0.150 0.000 3.159 657 A HA 0.700 5.034 4.320 0.023 0.000 0.330 657 A C -2.674 175.069 177.584 0.264 0.000 1.032 657 A CA -1.137 51.004 52.037 0.172 0.000 0.841 657 A CB 1.174 20.270 19.000 0.161 0.000 1.093 657 A HN 0.109 nan 8.150 nan 0.000 0.478 658 P HA 0.051 nan 4.420 nan 0.000 0.271 658 P C 1.365 178.506 177.300 -0.265 0.000 1.233 658 P CA 0.304 63.358 63.100 -0.076 0.000 0.789 658 P CB 0.766 32.404 31.700 -0.105 0.000 0.951 659 S N 0.868 116.046 115.700 -0.870 0.000 2.440 659 S HA -0.155 4.329 4.470 0.023 0.000 0.238 659 S C 1.768 176.224 174.600 -0.240 0.000 1.010 659 S CA 1.057 58.883 58.200 -0.623 0.000 0.972 659 S CB -1.354 61.389 63.200 -0.762 0.000 0.774 659 S HN 0.337 nan 8.310 nan 0.000 0.501 660 L N 1.827 122.909 121.223 -0.236 0.000 2.129 660 L HA -0.114 4.241 4.340 0.023 0.000 0.212 660 L C 2.956 179.645 176.870 -0.302 0.000 1.087 660 L CA 1.701 56.393 54.840 -0.246 0.000 0.757 660 L CB -1.442 40.449 42.059 -0.281 0.000 0.896 660 L HN 0.652 nan 8.230 nan 0.000 0.434 661 T N -3.283 111.170 114.554 -0.167 0.000 3.129 661 T HA 0.185 4.549 4.350 0.023 0.000 0.251 661 T C 0.425 175.220 174.700 0.159 0.000 1.117 661 T CA 0.174 62.260 62.100 -0.023 0.000 1.034 661 T CB -0.367 68.589 68.868 0.145 0.000 0.968 661 T HN 0.161 nan 8.240 nan 0.000 0.526 662 V N -2.357 117.609 119.914 0.086 0.000 3.103 662 V HA 0.567 4.701 4.120 0.023 0.000 0.318 662 V C -0.096 176.047 176.094 0.081 0.000 1.114 662 V CA -0.968 61.409 62.300 0.129 0.000 1.020 662 V CB 2.121 34.038 31.823 0.156 0.000 1.085 662 V HN 0.024 nan 8.190 nan 0.000 0.446 663 D N 1.039 121.491 120.400 0.086 0.000 2.367 663 D HA 0.502 5.156 4.640 0.023 0.000 0.207 663 D C 0.528 176.817 176.300 -0.018 0.000 1.034 663 D CA 1.385 55.408 54.000 0.040 0.000 0.861 663 D CB 1.474 42.319 40.800 0.075 0.000 0.943 663 D HN 0.993 nan 8.370 nan 0.000 0.515 664 A N 0.101 122.927 122.820 0.010 0.000 2.567 664 A HA 0.514 4.848 4.320 0.023 0.000 0.291 664 A C -1.629 175.975 177.584 0.033 0.000 1.048 664 A CA -0.572 51.457 52.037 -0.014 0.000 0.661 664 A CB 1.336 20.314 19.000 -0.037 0.000 1.288 664 A HN -0.097 nan 8.150 nan 0.000 0.424 665 V N 0.957 120.882 119.914 0.018 0.000 2.709 665 V HA 0.631 4.765 4.120 0.023 0.000 0.308 665 V C -0.709 175.388 176.094 0.006 0.000 1.062 665 V CA -0.272 62.050 62.300 0.037 0.000 0.901 665 V CB 1.703 33.566 31.823 0.065 0.000 1.003 665 V HN 0.718 nan 8.190 nan 0.000 0.425 666 I N 3.800 124.380 120.570 0.017 0.000 2.498 666 I HA 0.545 4.729 4.170 0.023 0.000 0.290 666 I C -0.979 175.160 176.117 0.038 0.000 1.032 666 I CA -0.924 60.413 61.300 0.062 0.000 1.073 666 I CB 2.359 40.424 38.000 0.109 0.000 1.251 666 I HN 0.285 nan 8.210 nan 0.000 0.426 667 V N 7.509 127.462 119.914 0.066 0.000 2.326 667 V HA 0.363 4.497 4.120 0.023 0.000 0.281 667 V C -2.151 174.002 176.094 0.099 0.000 1.015 667 V CA -1.586 60.743 62.300 0.048 0.000 0.823 667 V CB 1.267 33.091 31.823 0.001 0.000 1.009 667 V HN 0.548 nan 8.190 nan 0.000 0.436 668 P HA 0.411 nan 4.420 nan 0.000 0.276 668 P C -0.213 177.106 177.300 0.033 0.000 1.252 668 P CA -0.201 62.913 63.100 0.024 0.000 0.802 668 P CB 1.295 32.997 31.700 0.005 0.000 1.035 669 A N 0.492 123.306 122.820 -0.009 0.000 2.310 669 A HA 0.686 5.020 4.320 0.023 0.000 0.260 669 A C 0.783 178.371 177.584 0.007 0.000 1.112 669 A CA 0.638 52.676 52.037 0.002 0.000 0.804 669 A CB -0.777 18.204 19.000 -0.032 0.000 1.081 669 A HN 0.858 nan 8.150 nan 0.000 0.499 670 G N -0.693 108.112 108.800 0.008 0.000 2.292 670 G HA2 -0.049 3.925 3.960 0.023 0.000 0.194 670 G HA3 -0.049 3.925 3.960 0.023 0.000 0.194 670 G C -0.339 174.569 174.900 0.013 0.000 1.329 670 G CA -0.115 44.988 45.100 0.006 0.000 1.100 670 G HN 1.013 nan 8.290 nan 0.000 0.470 671 N N 1.521 120.234 118.700 0.022 0.000 2.819 671 N HA 0.120 4.874 4.740 0.023 0.000 0.284 671 N C 1.379 176.918 175.510 0.047 0.000 1.196 671 N CA -0.561 52.505 53.050 0.027 0.000 1.114 671 N CB -0.171 38.334 38.487 0.030 0.000 1.437 671 N HN 0.365 nan 8.380 nan 0.000 0.518 672 I N 1.643 122.229 120.570 0.027 0.000 2.567 672 I HA -0.201 3.983 4.170 0.023 0.000 0.257 672 I C 2.312 178.421 176.117 -0.013 0.000 1.184 672 I CA 0.673 61.986 61.300 0.023 0.000 1.451 672 I CB -1.310 36.668 38.000 -0.037 0.000 1.089 672 I HN 0.456 nan 8.210 nan 0.000 0.441 673 A N 0.566 123.376 122.820 -0.017 0.000 2.067 673 A HA -0.244 4.090 4.320 0.023 0.000 0.219 673 A C 2.048 179.647 177.584 0.025 0.000 1.158 673 A CA 1.727 53.751 52.037 -0.021 0.000 0.661 673 A CB -0.601 18.387 19.000 -0.021 0.000 0.801 673 A HN 0.396 nan 8.150 nan 0.000 0.452 674 D N 0.494 120.936 120.400 0.071 0.000 2.149 674 D HA -0.163 4.492 4.640 0.023 0.000 0.198 674 D C 1.463 177.852 176.300 0.148 0.000 0.990 674 D CA 1.819 55.894 54.000 0.124 0.000 0.839 674 D CB -0.170 40.740 40.800 0.183 0.000 0.948 674 D HN 0.649 nan 8.370 nan 0.000 0.460 675 I N -4.292 116.379 120.570 0.168 0.000 4.240 675 I HA 0.502 4.686 4.170 0.023 0.000 0.331 675 I C 1.725 177.960 176.117 0.196 0.000 1.381 675 I CA -0.168 61.255 61.300 0.205 0.000 1.136 675 I CB 0.280 38.456 38.000 0.294 0.000 1.137 675 I HN -0.098 nan 8.210 nan 0.000 0.411 676 A N 1.291 124.137 122.820 0.042 0.000 2.019 676 A HA -0.104 4.230 4.320 0.023 0.000 0.219 676 A C 1.499 179.068 177.584 -0.026 0.000 1.164 676 A CA 1.711 53.664 52.037 -0.140 0.000 0.644 676 A CB -0.386 18.456 19.000 -0.263 0.000 0.805 676 A HN 0.499 nan 8.150 nan 0.000 0.449 677 D N -0.536 119.873 120.400 0.016 0.000 2.462 677 D HA 0.032 4.686 4.640 0.023 0.000 0.221 677 D C -0.179 176.147 176.300 0.044 0.000 1.173 677 D CA -0.165 53.847 54.000 0.021 0.000 0.831 677 D CB -0.111 40.691 40.800 0.004 0.000 1.001 677 D HN 0.319 nan 8.370 nan 0.000 0.499 678 N N 1.052 119.793 118.700 0.068 0.000 2.411 678 N HA 0.054 4.808 4.740 0.023 0.000 0.259 678 N C 1.318 176.858 175.510 0.050 0.000 1.103 678 N CA -0.050 53.036 53.050 0.060 0.000 0.954 678 N CB 1.533 40.064 38.487 0.073 0.000 1.085 678 N HN -0.009 nan 8.380 nan 0.000 0.485 679 G N 3.207 112.037 108.800 0.050 0.000 2.422 679 G HA2 -0.246 3.728 3.960 0.023 0.000 0.218 679 G HA3 -0.246 3.728 3.960 0.023 0.000 0.218 679 G C 0.969 175.914 174.900 0.074 0.000 1.146 679 G CA 0.485 45.618 45.100 0.055 0.000 0.769 679 G HN 0.587 nan 8.290 nan 0.000 0.547 680 D N 1.047 121.493 120.400 0.077 0.000 2.117 680 D HA -0.046 4.609 4.640 0.023 0.000 0.197 680 D C 2.804 179.088 176.300 -0.027 0.000 0.987 680 D CA 1.258 55.331 54.000 0.121 0.000 0.829 680 D CB -0.456 40.482 40.800 0.231 0.000 0.961 680 D HN 0.311 nan 8.370 nan 0.000 0.460 681 A N 1.125 123.756 122.820 -0.316 0.000 1.877 681 A HA -0.190 4.144 4.320 0.023 0.000 0.216 681 A C 2.022 179.402 177.584 -0.341 0.000 1.186 681 A CA 1.288 52.911 52.037 -0.691 0.000 0.620 681 A CB -0.491 18.031 19.000 -0.797 0.000 0.822 681 A HN 0.151 nan 8.150 nan 0.000 0.443 682 N N -1.399 117.251 118.700 -0.084 0.000 2.069 682 N HA -0.203 4.551 4.740 0.023 0.000 0.191 682 N C 1.700 177.203 175.510 -0.013 0.000 1.031 682 N CA 1.889 54.942 53.050 0.006 0.000 0.852 682 N CB -0.509 38.053 38.487 0.126 0.000 1.018 682 N HN 0.696 nan 8.380 nan 0.000 0.423 683 Y N 0.471 120.737 120.300 -0.057 0.000 2.293 683 Y HA -0.252 4.312 4.550 0.023 0.000 0.291 683 Y C 2.389 178.241 175.900 -0.079 0.000 1.137 683 Y CA 1.080 59.144 58.100 -0.060 0.000 1.202 683 Y CB -0.301 38.131 38.460 -0.047 0.000 0.990 683 Y HN 0.030 nan 8.280 nan 0.000 0.537 684 Y N 0.377 120.547 120.300 -0.216 0.000 2.114 684 Y HA -0.328 4.236 4.550 0.023 0.000 0.282 684 Y C 2.027 177.730 175.900 -0.328 0.000 1.165 684 Y CA 2.151 60.098 58.100 -0.255 0.000 1.148 684 Y CB -0.461 37.851 38.460 -0.246 0.000 0.972 684 Y HN 0.128 nan 8.280 nan 0.000 0.504 685 L N -1.244 119.898 121.223 -0.134 0.000 2.131 685 L HA -0.217 4.137 4.340 0.023 0.000 0.206 685 L C 2.385 179.133 176.870 -0.203 0.000 1.087 685 L CA 1.128 55.874 54.840 -0.157 0.000 0.767 685 L CB -0.454 41.469 42.059 -0.227 0.000 0.917 685 L HN 0.277 nan 8.230 nan 0.000 0.441 686 M N -0.518 118.906 119.600 -0.293 0.000 2.117 686 M HA -0.232 4.262 4.480 0.023 0.000 0.262 686 M C 2.245 178.286 176.300 -0.432 0.000 1.065 686 M CA 1.739 56.860 55.300 -0.298 0.000 1.114 686 M CB -0.389 32.039 32.600 -0.287 0.000 1.361 686 M HN 0.202 nan 8.290 nan 0.000 0.408 687 E N 0.565 120.309 120.200 -0.760 0.000 2.051 687 E HA -0.197 4.167 4.350 0.023 0.000 0.192 687 E C 1.984 178.219 176.600 -0.608 0.000 0.991 687 E CA 1.385 57.310 56.400 -0.792 0.000 0.799 687 E CB 0.012 29.213 29.700 -0.830 0.000 0.748 687 E HN 0.484 nan 8.360 nan 0.000 0.449 688 A N 0.097 122.685 122.820 -0.387 0.000 1.930 688 A HA -0.183 4.151 4.320 0.023 0.000 0.217 688 A C 1.993 179.471 177.584 -0.177 0.000 1.175 688 A CA 1.303 53.206 52.037 -0.223 0.000 0.627 688 A CB -0.778 18.150 19.000 -0.121 0.000 0.815 688 A HN 0.540 nan 8.150 nan 0.000 0.443 689 Y N 0.589 120.726 120.300 -0.272 0.000 2.133 689 Y HA -0.187 4.377 4.550 0.023 0.000 0.287 689 Y C 2.363 178.133 175.900 -0.218 0.000 1.134 689 Y CA 2.258 60.231 58.100 -0.213 0.000 1.133 689 Y CB -0.342 38.007 38.460 -0.184 0.000 0.987 689 Y HN 0.302 nan 8.280 nan 0.000 0.502 690 K N -0.643 119.621 120.400 -0.226 0.000 2.127 690 K HA -0.263 4.071 4.320 0.023 0.000 0.208 690 K C 1.172 177.633 176.600 -0.233 0.000 1.047 690 K CA 2.226 58.347 56.287 -0.277 0.000 0.927 690 K CB -0.468 31.816 32.500 -0.360 0.000 0.716 690 K HN 0.598 nan 8.250 nan 0.000 0.450 691 H N -0.130 118.814 119.070 -0.210 0.000 2.524 691 H HA 0.192 4.762 4.556 0.023 0.000 0.280 691 H C -0.017 175.151 175.328 -0.267 0.000 1.018 691 H CA 0.235 56.161 56.048 -0.203 0.000 1.165 691 H CB 0.189 29.828 29.762 -0.205 0.000 1.411 691 H HN 0.131 nan 8.280 nan 0.000 0.569 692 L N -0.295 120.776 121.223 -0.253 0.000 4.351 692 L HA -0.263 4.091 4.340 0.023 0.000 0.410 692 L C -0.302 176.313 176.870 -0.427 0.000 1.150 692 L CA 0.527 55.133 54.840 -0.389 0.000 0.961 692 L CB -1.696 40.117 42.059 -0.411 0.000 2.130 692 L HN 0.266 nan 8.230 nan 0.000 0.787 693 K N 0.950 121.166 120.400 -0.306 0.000 2.144 693 K HA 0.455 4.789 4.320 0.023 0.000 0.270 693 K C -2.128 174.341 176.600 -0.219 0.000 1.005 693 K CA -1.725 54.401 56.287 -0.267 0.000 0.932 693 K CB 0.641 33.039 32.500 -0.170 0.000 1.021 693 K HN -0.211 nan 8.250 nan 0.000 0.462 694 P HA 0.060 nan 4.420 nan 0.000 0.268 694 P C -0.743 176.494 177.300 -0.104 0.000 1.205 694 P CA 0.347 63.350 63.100 -0.161 0.000 0.771 694 P CB 0.479 32.082 31.700 -0.162 0.000 0.858 695 I N 1.524 122.044 120.570 -0.083 0.000 2.533 695 I HA 0.612 4.796 4.170 0.023 0.000 0.290 695 I C -0.469 175.599 176.117 -0.082 0.000 1.056 695 I CA -0.858 60.410 61.300 -0.052 0.000 1.057 695 I CB 2.228 40.224 38.000 -0.007 0.000 1.240 695 I HN 0.273 nan 8.210 nan 0.000 0.423 696 A N 7.550 130.326 122.820 -0.074 0.000 2.356 696 A HA 0.895 5.229 4.320 0.023 0.000 0.310 696 A C -1.211 176.453 177.584 0.133 0.000 1.075 696 A CA -0.437 51.523 52.037 -0.127 0.000 0.746 696 A CB 1.217 19.988 19.000 -0.383 0.000 1.221 696 A HN 0.666 nan 8.150 nan 0.000 0.443 697 L N 2.171 123.542 121.223 0.246 0.000 2.372 697 L HA 0.687 5.041 4.340 0.023 0.000 0.274 697 L C 0.193 177.278 176.870 0.358 0.000 0.988 697 L CA -0.545 54.454 54.840 0.264 0.000 0.833 697 L CB 1.965 44.125 42.059 0.169 0.000 1.236 697 L HN 0.813 nan 8.230 nan 0.000 0.410 698 A N 2.456 125.396 122.820 0.200 0.000 2.317 698 A HA 0.871 5.205 4.320 0.023 0.000 0.327 698 A C 0.591 178.168 177.584 -0.012 0.000 1.178 698 A CA 0.340 52.348 52.037 -0.048 0.000 0.817 698 A CB 1.182 19.982 19.000 -0.333 0.000 1.189 698 A HN 0.996 nan 8.150 nan 0.000 0.489 699 G N 2.096 110.881 108.800 -0.025 0.000 2.550 699 G HA2 -0.322 3.652 3.960 0.023 0.000 0.277 699 G HA3 -0.322 3.652 3.960 0.023 0.000 0.277 699 G C 0.518 175.422 174.900 0.006 0.000 1.190 699 G CA 0.558 45.647 45.100 -0.020 0.000 0.971 699 G HN 1.153 nan 8.290 nan 0.000 0.559 700 D N 1.285 121.684 120.400 -0.002 0.000 2.350 700 D HA 0.149 4.803 4.640 0.023 0.000 0.216 700 D C 2.295 178.597 176.300 0.003 0.000 0.968 700 D CA 1.396 55.389 54.000 -0.013 0.000 0.894 700 D CB -0.417 40.369 40.800 -0.025 0.000 0.909 700 D HN 0.927 nan 8.370 nan 0.000 0.520 701 A N 1.348 124.208 122.820 0.067 0.000 2.125 701 A HA -0.142 4.192 4.320 0.023 0.000 0.219 701 A C 2.191 179.886 177.584 0.185 0.000 1.156 701 A CA 0.457 52.605 52.037 0.185 0.000 0.671 701 A CB -0.655 18.481 19.000 0.227 0.000 0.794 701 A HN 0.089 nan 8.150 nan 0.000 0.459 702 R N -0.279 120.277 120.500 0.094 0.000 2.293 702 R HA -0.095 4.259 4.340 0.023 0.000 0.219 702 R C 1.625 177.937 176.300 0.019 0.000 1.091 702 R CA 1.205 57.348 56.100 0.072 0.000 1.004 702 R CB -0.181 30.148 30.300 0.048 0.000 0.865 702 R HN 0.518 nan 8.270 nan 0.000 0.469 703 K N -0.388 119.978 120.400 -0.057 0.000 2.280 703 K HA -0.110 4.224 4.320 0.023 0.000 0.202 703 K C 1.166 177.652 176.600 -0.189 0.000 1.047 703 K CA 1.070 57.262 56.287 -0.159 0.000 0.942 703 K CB -0.014 32.327 32.500 -0.265 0.000 0.739 703 K HN 0.172 nan 8.250 nan 0.000 0.457 704 F N 1.312 121.237 119.950 -0.043 0.000 2.699 704 F HA -0.065 4.476 4.527 0.024 0.000 0.298 704 F C 1.777 177.526 175.800 -0.084 0.000 1.154 704 F CA 0.635 58.597 58.000 -0.063 0.000 1.457 704 F CB 0.033 38.996 39.000 -0.062 0.000 1.106 704 F HN -0.073 nan 8.300 nan 0.000 0.585 705 K N 0.385 120.832 120.400 0.077 0.000 2.113 705 K HA -0.222 4.112 4.320 0.023 0.000 0.208 705 K C 2.311 178.884 176.600 -0.046 0.000 1.047 705 K CA 1.293 57.576 56.287 -0.005 0.000 0.928 705 K CB -0.379 32.115 32.500 -0.011 0.000 0.716 705 K HN 0.272 nan 8.250 nan 0.000 0.446 706 A N 0.755 123.555 122.820 -0.034 0.000 1.969 706 A HA -0.132 4.202 4.320 0.023 0.000 0.218 706 A C 2.140 179.697 177.584 -0.045 0.000 1.169 706 A CA 1.819 53.828 52.037 -0.046 0.000 0.635 706 A CB -0.784 18.187 19.000 -0.049 0.000 0.810 706 A HN 0.249 nan 8.150 nan 0.000 0.445 707 T N 0.776 115.323 114.554 -0.012 0.000 2.759 707 T HA -0.124 4.240 4.350 0.023 0.000 0.269 707 T C 1.495 176.136 174.700 -0.099 0.000 1.042 707 T CA 1.725 63.820 62.100 -0.008 0.000 1.140 707 T CB -0.479 68.446 68.868 0.095 0.000 0.864 707 T HN 0.722 nan 8.240 nan 0.000 0.455 708 I N -2.096 118.360 120.570 -0.189 0.000 3.976 708 I HA 0.359 4.543 4.170 0.023 0.000 0.337 708 I C -0.273 175.589 176.117 -0.425 0.000 1.359 708 I CA -0.456 60.585 61.300 -0.431 0.000 1.098 708 I CB -0.004 37.566 38.000 -0.717 0.000 1.027 708 I HN -0.100 nan 8.210 nan 0.000 0.394 709 K N 2.102 122.373 120.400 -0.214 0.000 3.239 709 K HA -0.113 4.221 4.320 0.023 0.000 0.270 709 K C -0.456 176.071 176.600 -0.123 0.000 1.049 709 K CA 0.425 56.632 56.287 -0.133 0.000 0.769 709 K CB -1.569 30.877 32.500 -0.089 0.000 1.305 709 K HN 0.353 nan 8.250 nan 0.000 0.469 710 I N 0.701 121.199 120.570 -0.121 0.000 2.365 710 I HA 0.256 4.440 4.170 0.023 0.000 0.291 710 I C 1.422 177.517 176.117 -0.036 0.000 1.004 710 I CA -0.851 60.405 61.300 -0.073 0.000 1.311 710 I CB 0.884 38.845 38.000 -0.065 0.000 1.401 710 I HN 0.294 nan 8.210 nan 0.000 0.491 711 A N 5.061 127.872 122.820 -0.015 0.000 2.492 711 A HA 0.039 4.373 4.320 0.023 0.000 0.236 711 A C 1.108 178.688 177.584 -0.006 0.000 1.078 711 A CA -0.054 51.978 52.037 -0.008 0.000 0.773 711 A CB 0.065 19.066 19.000 0.001 0.000 1.023 711 A HN 0.766 nan 8.150 nan 0.000 0.504 712 D N 0.121 120.518 120.400 -0.005 0.000 2.144 712 D HA -0.158 4.496 4.640 0.023 0.000 0.199 712 D C 1.934 178.235 176.300 0.002 0.000 0.984 712 D CA 1.772 55.770 54.000 -0.003 0.000 0.834 712 D CB -0.050 40.747 40.800 -0.004 0.000 0.955 712 D HN 0.755 nan 8.370 nan 0.000 0.465 713 Q N 1.162 120.963 119.800 0.003 0.000 2.482 713 Q HA 0.087 4.441 4.340 0.023 0.000 0.209 713 Q C 0.714 176.718 176.000 0.006 0.000 0.961 713 Q CA 1.043 56.849 55.803 0.005 0.000 0.945 713 Q CB -0.035 28.706 28.738 0.005 0.000 1.012 713 Q HN 0.157 nan 8.270 nan 0.000 0.515 714 G N 1.145 109.949 108.800 0.006 0.000 2.685 714 G HA2 -0.210 3.764 3.960 0.023 0.000 0.387 714 G HA3 -0.210 3.764 3.960 0.023 0.000 0.387 714 G C -1.243 173.662 174.900 0.008 0.000 1.324 714 G CA -0.183 44.921 45.100 0.007 0.000 0.878 714 G HN 0.667 nan 8.290 nan 0.000 0.527 715 E N -0.889 119.316 120.200 0.008 0.000 2.380 715 E HA 0.478 4.842 4.350 0.023 0.000 0.281 715 E C -0.848 175.750 176.600 -0.003 0.000 0.999 715 E CA -0.944 55.462 56.400 0.011 0.000 0.800 715 E CB 1.193 30.914 29.700 0.035 0.000 1.228 715 E HN 0.433 nan 8.360 nan 0.000 0.436 716 E N 1.242 121.432 120.200 -0.016 0.000 2.480 716 E HA 0.225 4.589 4.350 0.023 0.000 0.258 716 E C 0.884 177.446 176.600 -0.062 0.000 0.984 716 E CA 1.672 58.047 56.400 -0.042 0.000 0.930 716 E CB 0.957 30.630 29.700 -0.044 0.000 0.936 716 E HN 0.933 nan 8.360 nan 0.000 0.466 717 G N 2.940 111.689 108.800 -0.085 0.000 2.218 717 G HA2 -0.202 3.772 3.960 0.023 0.000 0.216 717 G HA3 -0.202 3.772 3.960 0.023 0.000 0.216 717 G C 0.138 174.990 174.900 -0.081 0.000 0.994 717 G CA -0.360 44.672 45.100 -0.113 0.000 0.637 717 G HN 0.414 nan 8.290 nan 0.000 0.505 718 I N 2.191 122.734 120.570 -0.046 0.000 2.355 718 I HA 0.471 4.655 4.170 0.023 0.000 0.288 718 I C 0.414 176.484 176.117 -0.077 0.000 0.999 718 I CA -1.124 60.153 61.300 -0.038 0.000 1.163 718 I CB 1.340 39.347 38.000 0.011 0.000 1.316 718 I HN -0.100 nan 8.210 nan 0.000 0.454 719 V N 7.576 127.401 119.914 -0.148 0.000 2.432 719 V HA 0.340 4.474 4.120 0.023 0.000 0.275 719 V C 0.265 176.276 176.094 -0.138 0.000 1.043 719 V CA -0.418 61.741 62.300 -0.234 0.000 0.925 719 V CB 0.968 32.490 31.823 -0.502 0.000 0.985 719 V HN 0.843 nan 8.190 nan 0.000 0.466 720 E N 4.374 124.578 120.200 0.007 0.000 2.331 720 E HA 0.889 5.253 4.350 0.023 0.000 0.275 720 E C -0.949 175.789 176.600 0.231 0.000 0.895 720 E CA -1.007 55.496 56.400 0.172 0.000 0.753 720 E CB 2.666 32.427 29.700 0.101 0.000 1.216 720 E HN 0.736 nan 8.360 nan 0.000 0.434 721 A N 1.819 124.818 122.820 0.299 0.000 2.586 721 A HA 0.365 4.699 4.320 0.023 0.000 0.290 721 A C -0.436 177.184 177.584 0.060 0.000 1.086 721 A CA -0.630 51.515 52.037 0.179 0.000 0.665 721 A CB 1.235 20.383 19.000 0.247 0.000 1.279 721 A HN 0.596 nan 8.150 nan 0.000 0.423 722 D N 0.510 120.920 120.400 0.017 0.000 2.149 722 D HA -0.005 4.649 4.640 0.023 0.000 0.198 722 D C 1.096 177.345 176.300 -0.084 0.000 0.990 722 D CA 2.442 56.428 54.000 -0.024 0.000 0.839 722 D CB 0.064 40.853 40.800 -0.018 0.000 0.948 722 D HN 0.799 nan 8.370 nan 0.000 0.460 723 S N -2.075 113.538 115.700 -0.144 0.000 2.638 723 S HA 0.639 5.123 4.470 0.023 0.000 0.274 723 S C 0.134 174.431 174.600 -0.505 0.000 1.157 723 S CA -0.320 57.732 58.200 -0.247 0.000 0.826 723 S CB 1.880 64.991 63.200 -0.149 0.000 1.139 723 S HN -0.046 nan 8.310 nan 0.000 0.474 724 A N 0.888 123.334 122.820 -0.624 0.000 2.261 724 A HA 0.247 4.581 4.320 0.023 0.000 0.208 724 A C 0.687 178.096 177.584 -0.291 0.000 1.223 724 A CA 0.605 52.104 52.037 -0.897 0.000 0.833 724 A CB -1.257 17.359 19.000 -0.641 0.000 0.830 724 A HN 0.895 nan 8.150 nan 0.000 0.483 725 D N -1.916 118.386 120.400 -0.164 0.000 2.539 725 D HA 0.485 5.139 4.640 0.023 0.000 0.280 725 D C 1.143 177.461 176.300 0.030 0.000 1.208 725 D CA 0.306 54.283 54.000 -0.038 0.000 1.088 725 D CB -0.343 40.432 40.800 -0.043 0.000 1.149 725 D HN 0.606 nan 8.370 nan 0.000 0.596 726 G N 0.003 108.821 108.800 0.031 0.000 2.651 726 G HA2 -0.337 3.637 3.960 0.023 0.000 0.315 726 G HA3 -0.337 3.637 3.960 0.023 0.000 0.315 726 G C 0.902 175.847 174.900 0.077 0.000 1.258 726 G CA 2.088 47.215 45.100 0.046 0.000 1.002 726 G HN 1.348 nan 8.290 nan 0.000 0.551 727 S N -0.144 115.609 115.700 0.089 0.000 2.593 727 S HA 0.314 4.798 4.470 0.023 0.000 0.217 727 S C 1.833 176.507 174.600 0.123 0.000 0.966 727 S CA 1.110 59.359 58.200 0.082 0.000 0.914 727 S CB -0.009 63.222 63.200 0.052 0.000 0.776 727 S HN 0.956 nan 8.310 nan 0.000 0.523 728 F N 2.546 122.494 119.950 -0.004 0.000 2.095 728 F HA -0.052 4.489 4.527 0.023 0.000 0.298 728 F C 2.181 177.977 175.800 -0.007 0.000 1.104 728 F CA 1.591 59.588 58.000 -0.005 0.000 1.232 728 F CB -0.224 38.774 39.000 -0.003 0.000 0.987 728 F HN 0.152 nan 8.300 nan 0.000 0.475 729 M N 0.058 119.817 119.600 0.266 0.000 2.200 729 M HA -0.147 4.348 4.480 0.023 0.000 0.265 729 M C 1.733 178.044 176.300 0.017 0.000 1.066 729 M CA 1.248 56.620 55.300 0.119 0.000 1.127 729 M CB -1.311 31.374 32.600 0.142 0.000 1.379 729 M HN 0.117 nan 8.290 nan 0.000 0.420 730 D N 0.477 120.893 120.400 0.026 0.000 2.144 730 D HA -0.135 4.519 4.640 0.023 0.000 0.199 730 D C 1.961 178.241 176.300 -0.033 0.000 0.984 730 D CA 1.101 55.101 54.000 -0.001 0.000 0.834 730 D CB -0.082 40.723 40.800 0.009 0.000 0.955 730 D HN 0.465 nan 8.370 nan 0.000 0.465 731 E N 0.319 120.485 120.200 -0.056 0.000 2.072 731 E HA -0.104 4.260 4.350 0.023 0.000 0.191 731 E C 2.098 178.617 176.600 -0.136 0.000 0.985 731 E CA 0.157 56.501 56.400 -0.093 0.000 0.801 731 E CB -0.021 29.611 29.700 -0.113 0.000 0.750 731 E HN 0.138 nan 8.360 nan 0.000 0.452 732 L N 0.987 122.095 121.223 -0.191 0.000 2.046 732 L HA -0.169 4.185 4.340 0.023 0.000 0.208 732 L C 2.082 178.886 176.870 -0.110 0.000 1.077 732 L CA 1.610 56.336 54.840 -0.190 0.000 0.747 732 L CB -0.432 41.482 42.059 -0.241 0.000 0.896 732 L HN 0.244 nan 8.230 nan 0.000 0.432 733 L N -0.601 120.579 121.223 -0.072 0.000 2.141 733 L HA -0.179 4.175 4.340 0.023 0.000 0.209 733 L C 2.441 179.287 176.870 -0.041 0.000 1.094 733 L CA 1.305 56.118 54.840 -0.045 0.000 0.763 733 L CB -0.602 41.442 42.059 -0.026 0.000 0.908 733 L HN 0.242 nan 8.230 nan 0.000 0.437 734 T N 0.143 114.669 114.554 -0.047 0.000 2.746 734 T HA -0.150 4.214 4.350 0.023 0.000 0.267 734 T C 1.940 176.608 174.700 -0.054 0.000 1.039 734 T CA 1.198 63.275 62.100 -0.039 0.000 1.142 734 T CB -0.201 68.645 68.868 -0.037 0.000 0.866 734 T HN 0.190 nan 8.240 nan 0.000 0.444 735 L N 0.277 121.450 121.223 -0.085 0.000 2.046 735 L HA -0.084 4.270 4.340 0.023 0.000 0.208 735 L C 2.724 179.528 176.870 -0.110 0.000 1.077 735 L CA 1.330 56.099 54.840 -0.118 0.000 0.747 735 L CB -0.570 41.399 42.059 -0.150 0.000 0.896 735 L HN 0.294 nan 8.230 nan 0.000 0.432 736 M N -0.645 118.907 119.600 -0.080 0.000 2.159 736 M HA -0.189 4.305 4.480 0.023 0.000 0.263 736 M C 2.417 178.718 176.300 0.000 0.000 1.063 736 M CA 1.802 57.074 55.300 -0.046 0.000 1.110 736 M CB -0.488 32.094 32.600 -0.029 0.000 1.374 736 M HN 0.328 nan 8.290 nan 0.000 0.411 737 A N 0.009 122.830 122.820 0.001 0.000 2.067 737 A HA 0.109 4.443 4.320 0.023 0.000 0.219 737 A C 2.086 179.709 177.584 0.065 0.000 1.158 737 A CA 1.543 53.601 52.037 0.036 0.000 0.661 737 A CB -0.569 18.446 19.000 0.026 0.000 0.801 737 A HN 0.496 nan 8.150 nan 0.000 0.452 738 A N -2.550 120.286 122.820 0.027 0.000 2.307 738 A HA 0.381 4.716 4.320 0.023 0.000 0.218 738 A C 0.886 178.489 177.584 0.033 0.000 1.228 738 A CA 1.174 53.240 52.037 0.048 0.000 0.857 738 A CB -0.420 18.562 19.000 -0.030 0.000 0.897 738 A HN 0.949 nan 8.150 nan 0.000 0.495 739 H N -1.289 117.719 119.070 -0.104 0.000 4.806 739 H HA -0.173 4.397 4.556 0.023 0.000 0.061 739 H C 0.027 175.136 175.328 -0.366 0.000 0.604 739 H CA 2.308 58.279 56.048 -0.127 0.000 0.938 739 H CB -0.640 29.154 29.762 0.053 0.000 0.431 739 H HN 0.448 nan 8.280 nan 0.000 0.803 740 R N -0.277 119.635 120.500 -0.981 0.000 2.836 740 R HA 0.638 4.992 4.340 0.023 0.000 0.269 740 R C -0.691 174.767 176.300 -1.404 0.000 1.010 740 R CA -0.305 54.995 56.100 -1.334 0.000 0.930 740 R CB 1.789 30.976 30.300 -1.855 0.000 1.218 740 R HN 0.074 nan 8.270 nan 0.000 0.473 741 V N 2.311 121.627 119.914 -0.997 0.000 2.218 741 V HA 0.118 4.252 4.120 0.023 0.000 0.261 741 V C 0.649 176.377 176.094 -0.610 0.000 1.142 741 V CA -0.454 61.436 62.300 -0.684 0.000 0.965 741 V CB -0.170 31.389 31.823 -0.440 0.000 1.190 741 V HN 0.719 nan 8.190 nan 0.000 0.478 742 W N 1.585 122.597 121.300 -0.480 0.000 2.392 742 W HA -0.188 4.486 4.660 0.023 0.000 0.279 742 W C 2.512 178.817 176.519 -0.358 0.000 1.225 742 W CA 0.845 57.823 57.345 -0.611 0.000 1.233 742 W CB -0.401 28.275 29.460 -1.307 0.000 1.122 742 W HN 0.656 nan 8.180 nan 0.000 0.561 743 S N 0.787 116.438 115.700 -0.082 0.000 2.500 743 S HA -0.163 4.321 4.470 0.023 0.000 0.239 743 S C 1.706 176.269 174.600 -0.061 0.000 0.989 743 S CA 0.948 59.122 58.200 -0.043 0.000 0.951 743 S CB -0.426 62.747 63.200 -0.045 0.000 0.759 743 S HN 0.417 nan 8.310 nan 0.000 0.523 744 R N 0.619 121.042 120.500 -0.128 0.000 2.275 744 R HA 0.253 4.607 4.340 0.023 0.000 0.199 744 R C 1.794 178.027 176.300 -0.112 0.000 0.989 744 R CA 0.417 56.418 56.100 -0.165 0.000 1.016 744 R CB -0.332 29.760 30.300 -0.346 0.000 0.918 744 R HN 0.486 nan 8.270 nan 0.000 0.473 745 I N 1.732 122.278 120.570 -0.039 0.000 2.163 745 I HA -0.208 3.976 4.170 0.023 0.000 0.243 745 I C -0.818 175.323 176.117 0.040 0.000 1.085 745 I CA 1.201 62.519 61.300 0.031 0.000 1.347 745 I CB -0.883 37.188 38.000 0.117 0.000 1.044 745 I HN 0.152 nan 8.210 nan 0.000 0.408 746 P HA -0.154 nan 4.420 nan 0.000 0.220 746 P C 1.264 178.591 177.300 0.045 0.000 1.148 746 P CA 1.380 64.509 63.100 0.048 0.000 0.803 746 P CB 0.006 31.732 31.700 0.043 0.000 0.782 747 K N -0.178 120.242 120.400 0.034 0.000 2.217 747 K HA -0.001 4.333 4.320 0.023 0.000 0.202 747 K C 1.983 178.639 176.600 0.094 0.000 1.051 747 K CA 0.876 57.205 56.287 0.070 0.000 0.952 747 K CB -0.819 31.741 32.500 0.100 0.000 0.736 747 K HN 0.303 nan 8.250 nan 0.000 0.453 748 I N -2.252 118.338 120.570 0.033 0.000 3.226 748 I HA 0.027 4.211 4.170 0.023 0.000 0.277 748 I C 1.350 177.503 176.117 0.060 0.000 1.243 748 I CA 0.981 62.307 61.300 0.042 0.000 1.459 748 I CB -0.096 37.875 38.000 -0.048 0.000 1.093 748 I HN -0.081 nan 8.210 nan 0.000 0.453 749 D N 2.917 123.354 120.400 0.062 0.000 2.271 749 D HA -0.223 4.431 4.640 0.023 0.000 0.207 749 D C 1.595 177.935 176.300 0.068 0.000 0.983 749 D CA 1.533 55.575 54.000 0.070 0.000 0.878 749 D CB 0.120 40.963 40.800 0.071 0.000 0.920 749 D HN 0.655 nan 8.370 nan 0.000 0.479 750 K N -0.569 119.871 120.400 0.066 0.000 2.469 750 K HA 0.225 4.559 4.320 0.023 0.000 0.204 750 K C 0.365 177.000 176.600 0.059 0.000 1.047 750 K CA -0.419 55.904 56.287 0.059 0.000 1.072 750 K CB 0.671 33.202 32.500 0.052 0.000 0.863 750 K HN 0.122 nan 8.250 nan 0.000 0.530 751 I N 4.126 124.737 120.570 0.068 0.000 2.529 751 I HA 0.107 4.291 4.170 0.023 0.000 0.284 751 I C -2.068 174.082 176.117 0.055 0.000 1.082 751 I CA -2.240 59.099 61.300 0.065 0.000 1.406 751 I CB 1.043 39.099 38.000 0.093 0.000 1.405 751 I HN 0.071 nan 8.210 nan 0.000 0.548 752 P HA 0.385 nan 4.420 nan 0.000 0.234 752 P C -1.127 176.230 177.300 0.096 0.000 1.799 752 P CA -0.096 63.041 63.100 0.061 0.000 1.118 752 P CB 0.517 32.247 31.700 0.049 0.000 1.827 753 A N 0.000 122.879 122.820 0.098 0.000 2.254 753 A HA 0.000 4.334 4.320 0.023 0.000 0.244 753 A CA 0.000 52.143 52.037 0.176 0.000 0.836 753 A CB 0.000 19.001 19.000 0.002 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486