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 3pq6_1_C 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 0.000 174.563 174.600 -0.062 0.000 1.055 28 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 28 S CB 0.000 63.169 63.200 -0.051 0.000 0.593 29 L N 2.772 123.951 121.223 -0.074 0.000 2.375 29 L HA 0.363 4.735 4.340 0.053 0.000 0.215 29 L C 1.469 178.262 176.870 -0.128 0.000 1.108 29 L CA 0.586 55.378 54.840 -0.080 0.000 0.830 29 L CB -0.510 41.512 42.059 -0.062 0.000 0.959 29 L HN 0.712 nan 8.230 nan 0.000 0.457 30 A N 1.438 124.130 122.820 -0.214 0.000 2.407 30 A HA 0.402 4.754 4.320 0.053 0.000 0.248 30 A C -2.012 175.424 177.584 -0.245 0.000 1.082 30 A CA -1.007 50.785 52.037 -0.410 0.000 0.785 30 A CB -0.484 18.020 19.000 -0.826 0.000 1.020 30 A HN -0.022 nan 8.150 nan 0.000 0.489 31 P HA 0.114 nan 4.420 nan 0.000 0.272 31 P C 0.204 177.489 177.300 -0.025 0.000 1.223 31 P CA -0.030 63.036 63.100 -0.056 0.000 0.784 31 P CB 0.820 32.524 31.700 0.007 0.000 0.923 32 E N 1.092 121.287 120.200 -0.009 0.000 2.153 32 E HA -0.218 4.164 4.350 0.053 0.000 0.194 32 E C 1.074 177.692 176.600 0.030 0.000 0.988 32 E CA 1.602 58.005 56.400 0.005 0.000 0.811 32 E CB -0.203 29.498 29.700 0.001 0.000 0.746 32 E HN 0.524 nan 8.360 nan 0.000 0.466 33 D N -1.419 119.005 120.400 0.040 0.000 2.349 33 D HA 0.026 4.698 4.640 0.053 0.000 0.224 33 D C 1.204 177.550 176.300 0.077 0.000 1.029 33 D CA 0.753 54.782 54.000 0.047 0.000 0.879 33 D CB -0.179 40.642 40.800 0.036 0.000 0.906 33 D HN 0.220 nan 8.370 nan 0.000 0.528 34 G N 0.433 109.318 108.800 0.142 0.000 2.168 34 G HA2 -0.354 3.638 3.960 0.053 0.000 0.257 34 G HA3 -0.354 3.638 3.960 0.053 0.000 0.257 34 G C 0.998 175.994 174.900 0.159 0.000 0.997 34 G CA 0.838 46.072 45.100 0.225 0.000 0.708 34 G HN 0.673 nan 8.290 nan 0.000 0.520 35 S N 0.379 116.176 115.700 0.162 0.000 2.607 35 S HA -0.015 4.487 4.470 0.053 0.000 0.224 35 S C 1.884 176.542 174.600 0.096 0.000 0.969 35 S CA 1.076 59.327 58.200 0.084 0.000 0.927 35 S CB -0.474 62.765 63.200 0.065 0.000 0.772 35 S HN 0.923 nan 8.310 nan 0.000 0.533 36 H N 0.906 119.982 119.070 0.010 0.000 2.502 36 H HA 0.263 4.851 4.556 0.053 0.000 0.283 36 H C 0.759 176.098 175.328 0.018 0.000 1.015 36 H CA 0.323 56.378 56.048 0.012 0.000 1.298 36 H CB -0.287 29.480 29.762 0.010 0.000 1.411 36 H HN 0.305 nan 8.280 nan 0.000 0.556 37 R N 2.310 122.512 120.500 -0.496 0.000 2.265 37 R HA 0.360 4.732 4.340 0.053 0.000 0.328 37 R C -2.639 173.566 176.300 -0.158 0.000 0.969 37 R CA -2.036 53.821 56.100 -0.404 0.000 0.832 37 R CB 0.887 30.864 30.300 -0.538 0.000 1.139 37 R HN 0.112 nan 8.270 nan 0.000 0.457 38 P HA 0.115 nan 4.420 nan 0.000 0.271 38 P C -0.998 176.292 177.300 -0.017 0.000 1.216 38 P CA -0.260 62.828 63.100 -0.019 0.000 0.771 38 P CB 1.072 32.785 31.700 0.022 0.000 0.864 39 A N 3.204 126.020 122.820 -0.006 0.000 2.567 39 A HA 0.312 4.664 4.320 0.053 0.000 0.240 39 A C 0.911 178.505 177.584 0.016 0.000 1.053 39 A CA 0.308 52.346 52.037 0.001 0.000 0.755 39 A CB -0.532 18.471 19.000 0.007 0.000 0.978 39 A HN 0.582 nan 8.150 nan 0.000 0.507 40 A N 3.603 126.431 122.820 0.014 0.000 3.118 40 A HA 0.514 4.866 4.320 0.053 0.000 0.256 40 A C 0.344 177.945 177.584 0.029 0.000 1.667 40 A CA 0.171 52.223 52.037 0.025 0.000 1.338 40 A CB -0.771 18.240 19.000 0.019 0.000 1.127 40 A HN 0.949 nan 8.150 nan 0.000 0.634 41 E N -0.652 119.569 120.200 0.034 0.000 2.401 41 E HA 0.462 4.844 4.350 0.053 0.000 0.280 41 E C -3.330 173.293 176.600 0.038 0.000 1.039 41 E CA -2.341 54.080 56.400 0.036 0.000 0.814 41 E CB 0.593 30.309 29.700 0.026 0.000 1.275 41 E HN 0.057 nan 8.360 nan 0.000 0.448 42 P HA 0.106 nan 4.420 nan 0.000 0.267 42 P C -0.811 176.498 177.300 0.015 0.000 1.205 42 P CA 0.280 63.395 63.100 0.026 0.000 0.765 42 P CB 0.601 32.306 31.700 0.008 0.000 0.828 43 T N 0.557 115.116 114.554 0.008 0.000 2.916 43 T HA 0.635 5.017 4.350 0.053 0.000 0.305 43 T C -3.016 171.663 174.700 -0.036 0.000 1.119 43 T CA -2.462 59.638 62.100 0.000 0.000 1.008 43 T CB 1.870 70.744 68.868 0.009 0.000 1.129 43 T HN 0.082 nan 8.240 nan 0.000 0.480 44 P HA 0.431 nan 4.420 nan 0.000 0.276 44 P C -2.822 174.342 177.300 -0.227 0.000 1.252 44 P CA -1.839 61.134 63.100 -0.212 0.000 0.802 44 P CB -0.762 30.875 31.700 -0.105 0.000 1.035 45 P HA 0.082 nan 4.420 nan 0.000 0.265 45 P C 1.033 178.281 177.300 -0.087 0.000 1.193 45 P CA 1.488 64.483 63.100 -0.175 0.000 0.765 45 P CB -0.217 31.369 31.700 -0.191 0.000 0.823 46 G N 2.619 111.399 108.800 -0.033 0.000 2.241 46 G HA2 -0.336 3.656 3.960 0.053 0.000 0.244 46 G HA3 -0.336 3.656 3.960 0.053 0.000 0.244 46 G C 1.145 176.042 174.900 -0.005 0.000 0.998 46 G CA 0.392 45.486 45.100 -0.010 0.000 0.621 46 G HN 0.659 nan 8.290 nan 0.000 0.519 47 A N -1.055 121.757 122.820 -0.012 0.000 1.970 47 A HA 0.449 4.801 4.320 0.053 0.000 0.216 47 A C 1.331 178.917 177.584 0.005 0.000 1.170 47 A CA 1.969 54.004 52.037 -0.003 0.000 0.645 47 A CB 0.015 19.011 19.000 -0.006 0.000 0.816 47 A HN 0.478 nan 8.150 nan 0.000 0.447 48 Q N -1.104 118.702 119.800 0.010 0.000 2.495 48 Q HA 0.450 4.822 4.340 0.053 0.000 0.287 48 Q C -2.937 173.077 176.000 0.023 0.000 1.078 48 Q CA -1.933 53.880 55.803 0.017 0.000 0.793 48 Q CB 1.100 29.852 28.738 0.023 0.000 1.459 48 Q HN 0.080 nan 8.270 nan 0.000 0.422 49 P HA 0.093 nan 4.420 nan 0.000 0.272 49 P C -0.355 176.975 177.300 0.052 0.000 1.230 49 P CA -0.099 63.015 63.100 0.024 0.000 0.788 49 P CB 0.245 31.956 31.700 0.018 0.000 0.949 50 T N -1.329 113.253 114.554 0.048 0.000 2.860 50 T HA 0.610 4.992 4.350 0.053 0.000 0.299 50 T C -0.042 174.745 174.700 0.145 0.000 1.045 50 T CA -0.515 61.660 62.100 0.126 0.000 1.071 50 T CB 0.607 69.487 68.868 0.019 0.000 0.985 50 T HN 0.566 nan 8.240 nan 0.000 0.537 51 A N 1.981 124.982 122.820 0.302 0.000 2.566 51 A HA 0.818 5.170 4.320 0.053 0.000 0.292 51 A C -2.969 174.876 177.584 0.434 0.000 1.112 51 A CA -2.111 50.080 52.037 0.258 0.000 0.707 51 A CB 0.737 19.841 19.000 0.174 0.000 1.302 51 A HN 0.673 nan 8.150 nan 0.000 0.409 52 P HA 0.157 nan 4.420 nan 0.000 0.267 52 P C 1.120 178.571 177.300 0.252 0.000 1.200 52 P CA 0.716 64.035 63.100 0.366 0.000 0.772 52 P CB 0.584 32.420 31.700 0.227 0.000 0.855 53 G N 1.888 110.797 108.800 0.182 0.000 2.440 53 G HA2 -0.269 3.723 3.960 0.053 0.000 0.218 53 G HA3 -0.269 3.723 3.960 0.053 0.000 0.218 53 G C 1.548 176.467 174.900 0.032 0.000 1.154 53 G CA 1.080 46.202 45.100 0.037 0.000 0.767 53 G HN 0.593 nan 8.290 nan 0.000 0.552 54 S N 0.136 115.857 115.700 0.035 0.000 2.447 54 S HA 0.112 4.614 4.470 0.053 0.000 0.233 54 S C 2.250 176.868 174.600 0.031 0.000 1.006 54 S CA 0.801 59.007 58.200 0.010 0.000 0.957 54 S CB -0.201 62.998 63.200 -0.002 0.000 0.773 54 S HN 0.309 nan 8.310 nan 0.000 0.507 55 L N 0.073 121.332 121.223 0.060 0.000 2.202 55 L HA 0.197 4.569 4.340 0.053 0.000 0.205 55 L C 2.742 179.646 176.870 0.057 0.000 1.083 55 L CA 0.931 55.805 54.840 0.058 0.000 0.790 55 L CB -0.392 41.711 42.059 0.072 0.000 0.942 55 L HN 0.248 nan 8.230 nan 0.000 0.452 56 K N 1.463 121.909 120.400 0.076 0.000 2.057 56 K HA -0.033 4.319 4.320 0.053 0.000 0.206 56 K C 0.809 177.441 176.600 0.053 0.000 1.050 56 K CA 1.544 57.877 56.287 0.076 0.000 0.935 56 K CB -0.005 32.559 32.500 0.107 0.000 0.715 56 K HN 0.172 nan 8.250 nan 0.000 0.439 57 A N 0.530 123.374 122.820 0.039 0.000 3.355 57 A HA 0.335 4.687 4.320 0.053 0.000 0.290 57 A C -2.098 175.492 177.584 0.010 0.000 0.973 57 A CA -0.925 51.131 52.037 0.032 0.000 0.933 57 A CB 0.526 19.550 19.000 0.040 0.000 1.138 57 A HN 0.184 nan 8.150 nan 0.000 0.490 58 P HA -0.162 nan 4.420 nan 0.000 0.219 58 P C 0.184 177.477 177.300 -0.011 0.000 1.146 58 P CA 1.174 64.274 63.100 -0.001 0.000 0.808 58 P CB 0.280 31.983 31.700 0.005 0.000 0.779 59 D N -0.646 119.752 120.400 -0.003 0.000 2.347 59 D HA -0.002 4.670 4.640 0.053 0.000 0.213 59 D C 0.505 176.791 176.300 -0.023 0.000 0.985 59 D CA 0.660 54.654 54.000 -0.009 0.000 0.879 59 D CB -0.424 40.378 40.800 0.003 0.000 0.919 59 D HN 0.180 nan 8.370 nan 0.000 0.526 60 T N 2.553 117.090 114.554 -0.028 0.000 2.884 60 T HA 0.312 4.694 4.350 0.053 0.000 0.298 60 T C 0.582 175.236 174.700 -0.077 0.000 0.998 60 T CA -0.388 61.680 62.100 -0.054 0.000 1.124 60 T CB 1.359 70.192 68.868 -0.059 0.000 0.931 60 T HN 0.123 nan 8.240 nan 0.000 0.531 61 R N 1.724 122.169 120.500 -0.092 0.000 2.739 61 R HA 0.588 4.960 4.340 0.053 0.000 0.271 61 R C -1.490 174.747 176.300 -0.105 0.000 1.010 61 R CA -0.941 55.100 56.100 -0.098 0.000 0.897 61 R CB 1.141 31.392 30.300 -0.081 0.000 1.236 61 R HN 0.760 nan 8.270 nan 0.000 0.466 62 N N -1.438 117.205 118.700 -0.095 0.000 3.106 62 N HA 0.105 4.877 4.740 0.053 0.000 0.253 62 N C 0.059 175.526 175.510 -0.072 0.000 1.506 62 N CA -0.573 52.434 53.050 -0.072 0.000 0.876 62 N CB 0.639 39.113 38.487 -0.021 0.000 1.452 62 N HN 0.707 nan 8.380 nan 0.000 0.542 63 E N -0.467 119.706 120.200 -0.045 0.000 2.110 63 E HA -0.234 4.148 4.350 0.053 0.000 0.193 63 E C 1.009 177.543 176.600 -0.110 0.000 0.988 63 E CA 1.325 57.694 56.400 -0.052 0.000 0.804 63 E CB 0.100 29.796 29.700 -0.007 0.000 0.745 63 E HN 0.473 nan 8.360 nan 0.000 0.458 64 K N 0.758 121.058 120.400 -0.167 0.000 2.076 64 K HA -0.047 4.305 4.320 0.053 0.000 0.204 64 K C 2.090 178.530 176.600 -0.268 0.000 1.051 64 K CA 0.993 57.085 56.287 -0.325 0.000 0.949 64 K CB -0.435 31.689 32.500 -0.626 0.000 0.726 64 K HN 0.168 nan 8.250 nan 0.000 0.443 65 L N 1.027 122.108 121.223 -0.237 0.000 2.042 65 L HA -0.242 4.130 4.340 0.053 0.000 0.210 65 L C 1.840 178.600 176.870 -0.184 0.000 1.076 65 L CA 1.437 56.114 54.840 -0.271 0.000 0.749 65 L CB -0.654 41.244 42.059 -0.268 0.000 0.893 65 L HN 0.267 nan 8.230 nan 0.000 0.432 66 N N -0.306 118.312 118.700 -0.138 0.000 2.120 66 N HA -0.161 4.611 4.740 0.053 0.000 0.188 66 N C 2.044 177.497 175.510 -0.095 0.000 1.024 66 N CA 1.693 54.683 53.050 -0.100 0.000 0.852 66 N CB -0.521 37.920 38.487 -0.075 0.000 1.003 66 N HN 0.382 nan 8.380 nan 0.000 0.424 67 S N 0.397 116.031 115.700 -0.109 0.000 2.474 67 S HA 0.031 4.533 4.470 0.053 0.000 0.235 67 S C 1.783 176.324 174.600 -0.099 0.000 0.997 67 S CA 0.390 58.533 58.200 -0.096 0.000 0.949 67 S CB -0.468 62.672 63.200 -0.100 0.000 0.766 67 S HN 0.245 nan 8.310 nan 0.000 0.517 68 L N 0.764 121.913 121.223 -0.124 0.000 2.554 68 L HA 0.183 4.555 4.340 0.053 0.000 0.226 68 L C 2.619 179.442 176.870 -0.078 0.000 1.137 68 L CA 0.552 55.327 54.840 -0.109 0.000 0.863 68 L CB -0.365 41.609 42.059 -0.141 0.000 0.985 68 L HN 0.287 nan 8.230 nan 0.000 0.451 69 E N 1.196 121.353 120.200 -0.072 0.000 2.160 69 E HA -0.262 4.120 4.350 0.053 0.000 0.195 69 E C 1.637 178.217 176.600 -0.034 0.000 0.991 69 E CA 1.621 57.991 56.400 -0.049 0.000 0.810 69 E CB -0.040 29.634 29.700 -0.044 0.000 0.742 69 E HN 0.576 nan 8.360 nan 0.000 0.466 70 D N -0.549 119.830 120.400 -0.035 0.000 2.309 70 D HA -0.139 4.533 4.640 0.053 0.000 0.212 70 D C 1.585 177.872 176.300 -0.022 0.000 0.968 70 D CA 1.389 55.373 54.000 -0.026 0.000 0.882 70 D CB -0.333 40.452 40.800 -0.026 0.000 0.918 70 D HN 0.300 nan 8.370 nan 0.000 0.503 71 V N -3.775 116.125 119.914 -0.024 0.000 3.528 71 V HA 0.331 4.483 4.120 0.053 0.000 0.294 71 V C 0.767 176.856 176.094 -0.009 0.000 1.404 71 V CA -0.723 61.568 62.300 -0.015 0.000 1.065 71 V CB -0.543 31.271 31.823 -0.014 0.000 0.904 71 V HN -0.157 nan 8.190 nan 0.000 0.435 72 R N 2.105 122.597 120.500 -0.012 0.000 2.491 72 R HA 0.435 4.807 4.340 0.053 0.000 0.283 72 R C -0.381 175.922 176.300 0.006 0.000 1.072 72 R CA 0.149 56.249 56.100 0.001 0.000 1.048 72 R CB 0.635 30.934 30.300 -0.001 0.000 0.983 72 R HN 0.421 nan 8.270 nan 0.000 0.450 73 K N 1.393 121.801 120.400 0.015 0.000 2.358 73 K HA 0.280 4.632 4.320 0.053 0.000 0.260 73 K C 0.162 176.786 176.600 0.040 0.000 0.956 73 K CA -0.464 55.822 56.287 -0.001 0.000 0.834 73 K CB 2.329 34.817 32.500 -0.019 0.000 1.102 73 K HN 0.714 nan 8.250 nan 0.000 0.431 74 G N 0.353 109.199 108.800 0.077 0.000 2.504 74 G HA2 0.228 4.220 3.960 0.053 0.000 0.257 74 G HA3 0.228 4.220 3.960 0.053 0.000 0.257 74 G C 0.569 175.598 174.900 0.216 0.000 1.451 74 G CA 0.140 45.342 45.100 0.170 0.000 1.059 74 G HN 0.632 nan 8.290 nan 0.000 0.550 75 S N -2.781 113.111 115.700 0.320 0.000 2.302 75 S HA 0.112 4.614 4.470 0.053 0.000 0.258 75 S C 0.200 174.945 174.600 0.242 0.000 0.957 75 S CA -0.179 58.211 58.200 0.315 0.000 1.330 75 S CB 0.023 63.316 63.200 0.155 0.000 0.982 75 S HN 0.502 nan 8.310 nan 0.000 0.459 76 E N 3.010 123.265 120.200 0.092 0.000 2.415 76 E HA 0.254 4.636 4.350 0.053 0.000 0.263 76 E C -0.222 176.252 176.600 -0.210 0.000 0.995 76 E CA 0.156 56.538 56.400 -0.030 0.000 0.915 76 E CB 0.084 29.765 29.700 -0.031 0.000 0.951 76 E HN 0.376 nan 8.360 nan 0.000 0.449 77 N N 0.822 119.433 118.700 -0.149 0.000 2.909 77 N HA -0.211 4.561 4.740 0.053 0.000 0.242 77 N C -1.063 174.299 175.510 -0.247 0.000 0.975 77 N CA 1.133 54.059 53.050 -0.207 0.000 0.921 77 N CB -1.371 36.955 38.487 -0.269 0.000 1.112 77 N HN 0.384 nan 8.380 nan 0.000 0.581 78 Y N 0.745 121.051 120.300 0.010 0.000 2.352 78 Y HA 0.614 5.197 4.550 0.054 0.000 0.326 78 Y C 1.076 176.980 175.900 0.006 0.000 1.166 78 Y CA -0.573 57.532 58.100 0.009 0.000 1.182 78 Y CB 0.851 39.316 38.460 0.009 0.000 1.216 78 Y HN 0.124 nan 8.280 nan 0.000 0.474 79 A N 2.665 125.602 122.820 0.195 0.000 2.445 79 A HA 0.342 4.694 4.320 0.053 0.000 0.242 79 A C -0.583 177.052 177.584 0.084 0.000 1.075 79 A CA -0.501 51.599 52.037 0.105 0.000 0.777 79 A CB -0.014 19.033 19.000 0.078 0.000 1.013 79 A HN 0.719 nan 8.150 nan 0.000 0.493 80 L N 2.961 124.214 121.223 0.050 0.000 2.410 80 L HA 0.500 4.872 4.340 0.053 0.000 0.273 80 L C 0.670 177.550 176.870 0.016 0.000 1.144 80 L CA 1.176 56.032 54.840 0.027 0.000 0.863 80 L CB 0.376 42.442 42.059 0.012 0.000 1.140 80 L HN 0.912 nan 8.230 nan 0.000 0.463 81 T N 0.420 114.978 114.554 0.007 0.000 2.887 81 T HA 0.648 5.030 4.350 0.053 0.000 0.292 81 T C 0.200 174.902 174.700 0.004 0.000 1.087 81 T CA -0.180 61.926 62.100 0.010 0.000 1.009 81 T CB 1.052 69.927 68.868 0.011 0.000 1.203 81 T HN 0.802 nan 8.240 nan 0.000 0.518 82 T N 0.507 115.077 114.554 0.026 0.000 2.701 82 T HA 0.183 4.565 4.350 0.053 0.000 0.303 82 T C 1.080 175.798 174.700 0.030 0.000 1.030 82 T CA -0.431 61.694 62.100 0.042 0.000 1.010 82 T CB -0.091 68.845 68.868 0.115 0.000 1.007 82 T HN 0.584 nan 8.240 nan 0.000 0.532 83 N N 0.519 119.240 118.700 0.035 0.000 2.520 83 N HA -0.065 4.707 4.740 0.053 0.000 0.185 83 N C 1.477 177.007 175.510 0.034 0.000 1.068 83 N CA 0.548 53.612 53.050 0.023 0.000 0.911 83 N CB -0.158 38.351 38.487 0.037 0.000 0.961 83 N HN 0.557 nan 8.380 nan 0.000 0.446 84 Q N -0.426 119.406 119.800 0.053 0.000 2.320 84 Q HA 0.190 4.562 4.340 0.053 0.000 0.201 84 Q C 0.779 176.800 176.000 0.035 0.000 0.910 84 Q CA 0.066 55.895 55.803 0.044 0.000 0.946 84 Q CB 0.293 29.065 28.738 0.057 0.000 1.062 84 Q HN 0.389 nan 8.270 nan 0.000 0.503 85 G N 0.552 109.370 108.800 0.030 0.000 2.143 85 G HA2 -0.249 3.743 3.960 0.053 0.000 0.248 85 G HA3 -0.249 3.743 3.960 0.053 0.000 0.248 85 G C 0.134 175.057 174.900 0.039 0.000 0.991 85 G CA 0.236 45.349 45.100 0.021 0.000 0.689 85 G HN 0.240 nan 8.290 nan 0.000 0.522 86 V N 1.349 121.303 119.914 0.067 0.000 2.461 86 V HA 0.359 4.511 4.120 0.053 0.000 0.275 86 V C 1.313 177.446 176.094 0.065 0.000 1.047 86 V CA -0.557 61.795 62.300 0.086 0.000 0.955 86 V CB 1.177 33.097 31.823 0.163 0.000 0.988 86 V HN 0.407 nan 8.190 nan 0.000 0.471 87 R N 4.180 124.711 120.500 0.051 0.000 2.537 87 R HA 0.391 4.763 4.340 0.053 0.000 0.280 87 R C -0.539 175.774 176.300 0.023 0.000 1.058 87 R CA -0.116 56.005 56.100 0.035 0.000 1.057 87 R CB 0.572 30.893 30.300 0.034 0.000 0.973 87 R HN 0.576 nan 8.270 nan 0.000 0.438 88 I N 1.919 122.491 120.570 0.003 0.000 2.353 88 I HA 0.133 4.335 4.170 0.053 0.000 0.293 88 I C 0.939 177.045 176.117 -0.018 0.000 0.992 88 I CA 0.017 61.303 61.300 -0.025 0.000 1.268 88 I CB 1.913 39.889 38.000 -0.041 0.000 1.387 88 I HN 0.766 nan 8.210 nan 0.000 0.478 89 A N 3.870 126.675 122.820 -0.025 0.000 1.911 89 A HA 0.023 4.375 4.320 0.053 0.000 0.212 89 A C 0.654 178.223 177.584 -0.025 0.000 1.189 89 A CA 0.869 52.895 52.037 -0.018 0.000 0.639 89 A CB 0.060 19.053 19.000 -0.013 0.000 0.839 89 A HN 0.679 nan 8.150 nan 0.000 0.449 90 D N -0.473 119.903 120.400 -0.039 0.000 2.440 90 D HA 0.340 5.012 4.640 0.053 0.000 0.252 90 D C -1.267 175.001 176.300 -0.053 0.000 1.180 90 D CA -0.346 53.629 54.000 -0.041 0.000 0.894 90 D CB 1.139 41.915 40.800 -0.040 0.000 1.111 90 D HN 0.080 nan 8.370 nan 0.000 0.544 91 D N 1.957 122.329 120.400 -0.046 0.000 2.427 91 D HA 0.055 4.727 4.640 0.053 0.000 0.224 91 D C 0.584 176.852 176.300 -0.052 0.000 1.157 91 D CA 0.236 54.204 54.000 -0.053 0.000 0.828 91 D CB 0.498 41.273 40.800 -0.043 0.000 0.974 91 D HN 0.204 nan 8.370 nan 0.000 0.498 92 Q N -0.594 119.177 119.800 -0.048 0.000 2.246 92 Q HA 0.275 4.647 4.340 0.053 0.000 0.222 92 Q C -0.222 175.749 176.000 -0.049 0.000 0.851 92 Q CA 0.171 55.946 55.803 -0.046 0.000 0.945 92 Q CB 0.802 29.517 28.738 -0.037 0.000 1.122 92 Q HN 0.202 nan 8.270 nan 0.000 0.508 93 N N 0.043 118.712 118.700 -0.052 0.000 2.277 93 N HA 0.308 5.080 4.740 0.053 0.000 0.286 93 N C -0.949 174.526 175.510 -0.058 0.000 1.140 93 N CA -0.235 52.785 53.050 -0.050 0.000 0.799 93 N CB 2.125 40.587 38.487 -0.041 0.000 1.596 93 N HN -0.180 nan 8.380 nan 0.000 0.473 94 S N 0.749 116.418 115.700 -0.053 0.000 2.603 94 S HA 0.270 4.772 4.470 0.053 0.000 0.268 94 S C 0.164 174.737 174.600 -0.045 0.000 1.317 94 S CA -0.551 57.617 58.200 -0.053 0.000 1.012 94 S CB 0.693 63.867 63.200 -0.042 0.000 0.926 94 S HN 0.402 nan 8.310 nan 0.000 0.539 95 L N 3.415 124.612 121.223 -0.044 0.000 2.313 95 L HA 0.435 4.807 4.340 0.053 0.000 0.282 95 L C 0.072 176.933 176.870 -0.015 0.000 1.092 95 L CA 0.281 55.103 54.840 -0.029 0.000 0.831 95 L CB -0.075 41.969 42.059 -0.025 0.000 1.159 95 L HN 0.722 nan 8.230 nan 0.000 0.442 96 R N 4.213 124.706 120.500 -0.011 0.000 2.836 96 R HA 0.866 5.238 4.340 0.053 0.000 0.269 96 R C -1.097 175.202 176.300 -0.002 0.000 1.010 96 R CA -0.830 55.266 56.100 -0.006 0.000 0.930 96 R CB 1.174 31.468 30.300 -0.010 0.000 1.218 96 R HN 0.577 nan 8.270 nan 0.000 0.473 97 A N 1.309 124.129 122.820 0.000 0.000 2.807 97 A HA 0.569 4.921 4.320 0.053 0.000 0.307 97 A C 0.632 178.216 177.584 -0.000 0.000 1.532 97 A CA 0.313 52.351 52.037 0.002 0.000 1.215 97 A CB -0.994 18.008 19.000 0.004 0.000 1.127 97 A HN 1.233 nan 8.150 nan 0.000 0.543 98 G N 1.093 109.892 108.800 -0.002 0.000 2.712 98 G HA2 0.007 3.999 3.960 0.053 0.000 0.686 98 G HA3 0.007 3.999 3.960 0.053 0.000 0.686 98 G C 0.713 175.610 174.900 -0.006 0.000 1.321 98 G CA 0.144 45.242 45.100 -0.003 0.000 0.813 98 G HN 1.845 nan 8.290 nan 0.000 0.599 99 S N -0.419 115.277 115.700 -0.007 0.000 2.555 99 S HA 0.027 4.529 4.470 0.053 0.000 0.230 99 S C 1.542 176.136 174.600 -0.010 0.000 0.978 99 S CA 1.362 59.557 58.200 -0.009 0.000 0.934 99 S CB 0.080 63.274 63.200 -0.010 0.000 0.766 99 S HN 0.746 nan 8.310 nan 0.000 0.533 100 R N 0.735 121.231 120.500 -0.008 0.000 2.577 100 R HA 0.333 4.705 4.340 0.053 0.000 0.344 100 R C 0.885 177.181 176.300 -0.007 0.000 1.037 100 R CA 0.046 56.141 56.100 -0.008 0.000 1.102 100 R CB 0.810 31.106 30.300 -0.007 0.000 1.313 100 R HN 0.437 nan 8.270 nan 0.000 0.561 101 G N 1.754 110.551 108.800 -0.006 0.000 2.535 101 G HA2 0.372 4.364 3.960 0.053 0.000 0.303 101 G HA3 0.372 4.364 3.960 0.053 0.000 0.303 101 G C -2.380 172.518 174.900 -0.004 0.000 1.237 101 G CA -1.107 43.990 45.100 -0.004 0.000 0.986 101 G HN -0.107 nan 8.290 nan 0.000 0.494 102 P HA 0.210 nan 4.420 nan 0.000 0.275 102 P C -0.161 177.138 177.300 -0.001 0.000 1.228 102 P CA -0.075 63.024 63.100 -0.001 0.000 0.786 102 P CB 0.835 32.536 31.700 0.002 0.000 0.927 103 T N 2.799 117.352 114.554 -0.003 0.000 2.901 103 T HA 0.252 4.634 4.350 0.053 0.000 0.301 103 T C 0.507 175.210 174.700 0.005 0.000 1.012 103 T CA -0.091 62.007 62.100 -0.003 0.000 1.135 103 T CB -0.013 68.851 68.868 -0.007 0.000 0.936 103 T HN 0.191 nan 8.240 nan 0.000 0.539 104 L N 3.537 124.764 121.223 0.008 0.000 2.325 104 L HA 0.318 4.690 4.340 0.053 0.000 0.279 104 L C 1.388 178.275 176.870 0.028 0.000 1.054 104 L CA -0.813 54.038 54.840 0.018 0.000 0.804 104 L CB 0.904 42.976 42.059 0.022 0.000 1.200 104 L HN 0.501 nan 8.230 nan 0.000 0.436 105 L N 2.222 123.465 121.223 0.033 0.000 2.191 105 L HA -0.187 4.185 4.340 0.053 0.000 0.212 105 L C 2.319 179.229 176.870 0.067 0.000 1.103 105 L CA 1.662 56.528 54.840 0.044 0.000 0.769 105 L CB -0.625 41.458 42.059 0.039 0.000 0.908 105 L HN 0.799 nan 8.230 nan 0.000 0.438 106 E N -1.440 118.804 120.200 0.073 0.000 2.515 106 E HA -0.187 4.195 4.350 0.053 0.000 0.201 106 E C 0.205 176.910 176.600 0.176 0.000 1.071 106 E CA 0.284 56.755 56.400 0.119 0.000 0.880 106 E CB -0.539 29.222 29.700 0.103 0.000 0.828 106 E HN 0.382 nan 8.360 nan 0.000 0.540 107 D N 1.143 121.600 120.400 0.096 0.000 2.455 107 D HA -0.046 4.626 4.640 0.053 0.000 0.234 107 D C 0.421 176.740 176.300 0.031 0.000 1.224 107 D CA -0.456 53.556 54.000 0.021 0.000 0.999 107 D CB -0.134 40.646 40.800 -0.034 0.000 1.072 107 D HN 0.311 nan 8.370 nan 0.000 0.514 108 F N 2.153 122.111 119.950 0.013 0.000 2.456 108 F HA 0.104 4.660 4.527 0.049 0.000 0.298 108 F C 1.587 177.399 175.800 0.020 0.000 1.104 108 F CA 0.094 58.105 58.000 0.019 0.000 1.435 108 F CB -0.563 38.447 39.000 0.017 0.000 1.078 108 F HN 0.178 nan 8.300 nan 0.000 0.546 109 I N 0.446 120.605 120.570 -0.684 0.000 2.233 109 I HA -0.185 4.017 4.170 0.053 0.000 0.243 109 I C 2.481 178.490 176.117 -0.181 0.000 1.093 109 I CA 1.045 62.075 61.300 -0.451 0.000 1.380 109 I CB -0.556 37.114 38.000 -0.549 0.000 1.067 109 I HN 0.280 nan 8.210 nan 0.000 0.413 110 L N 1.208 122.336 121.223 -0.158 0.000 2.012 110 L HA -0.203 4.169 4.340 0.053 0.000 0.210 110 L C 2.644 179.503 176.870 -0.017 0.000 1.073 110 L CA 1.899 56.693 54.840 -0.076 0.000 0.748 110 L CB -0.527 41.493 42.059 -0.065 0.000 0.891 110 L HN 0.048 nan 8.230 nan 0.000 0.431 111 R N -0.667 119.842 120.500 0.015 0.000 2.090 111 R HA -0.143 4.229 4.340 0.053 0.000 0.228 111 R C 2.297 178.654 176.300 0.094 0.000 1.110 111 R CA 1.295 57.433 56.100 0.063 0.000 0.973 111 R CB -0.361 29.992 30.300 0.088 0.000 0.869 111 R HN 0.577 nan 8.270 nan 0.000 0.440 112 E N 1.365 121.626 120.200 0.102 0.000 2.058 112 E HA -0.261 4.120 4.350 0.053 0.000 0.194 112 E C 1.919 178.595 176.600 0.127 0.000 0.997 112 E CA 1.371 57.848 56.400 0.128 0.000 0.801 112 E CB 0.085 29.865 29.700 0.135 0.000 0.746 112 E HN 0.148 nan 8.360 nan 0.000 0.450 113 K N 0.175 120.618 120.400 0.072 0.000 2.057 113 K HA -0.154 4.198 4.320 0.053 0.000 0.207 113 K C 2.112 178.782 176.600 0.116 0.000 1.049 113 K CA 1.401 57.729 56.287 0.068 0.000 0.931 113 K CB -0.026 32.473 32.500 -0.003 0.000 0.714 113 K HN 0.158 nan 8.250 nan 0.000 0.440 114 I N 1.199 121.820 120.570 0.085 0.000 2.353 114 I HA -0.159 4.043 4.170 0.053 0.000 0.248 114 I C 2.152 178.377 176.117 0.179 0.000 1.119 114 I CA 1.203 62.567 61.300 0.107 0.000 1.417 114 I CB -1.472 36.554 38.000 0.044 0.000 1.078 114 I HN 0.209 nan 8.210 nan 0.000 0.421 115 T N -0.039 114.615 114.554 0.168 0.000 2.684 115 T HA -0.244 4.138 4.350 0.053 0.000 0.267 115 T C 1.968 176.814 174.700 0.243 0.000 1.036 115 T CA 1.616 63.843 62.100 0.212 0.000 1.148 115 T CB -0.472 68.522 68.868 0.211 0.000 0.863 115 T HN 0.344 nan 8.240 nan 0.000 0.436 116 H N -0.115 119.053 119.070 0.163 0.000 2.353 116 H HA -0.065 4.519 4.556 0.047 0.000 0.300 116 H C 2.204 177.595 175.328 0.105 0.000 1.090 116 H CA 1.586 57.715 56.048 0.135 0.000 1.327 116 H CB -0.454 29.366 29.762 0.096 0.000 1.383 116 H HN 0.399 nan 8.280 nan 0.000 0.508 117 F N 2.077 122.089 119.950 0.103 0.000 2.095 117 F HA -0.208 4.264 4.527 -0.091 0.000 0.298 117 F C 1.971 177.715 175.800 -0.094 0.000 1.104 117 F CA 1.797 59.804 58.000 0.011 0.000 1.232 117 F CB -0.321 38.680 39.000 0.002 0.000 0.987 117 F HN 0.067 nan 8.300 nan 0.000 0.475 118 D N -1.198 119.148 120.400 -0.090 0.000 2.309 118 D HA -0.140 4.532 4.640 0.053 0.000 0.212 118 D C 1.077 176.966 176.300 -0.685 0.000 0.968 118 D CA 1.188 54.957 54.000 -0.385 0.000 0.882 118 D CB -0.340 40.217 40.800 -0.405 0.000 0.918 118 D HN 0.496 nan 8.370 nan 0.000 0.503 119 H N -0.609 118.350 119.070 -0.186 0.000 2.575 119 H HA 0.223 4.867 4.556 0.147 0.000 0.256 119 H C 0.933 176.104 175.328 -0.261 0.000 1.162 119 H CA -0.141 55.791 56.048 -0.193 0.000 0.969 119 H CB 0.495 30.160 29.762 -0.163 0.000 1.796 119 H HN 0.237 nan 8.280 nan 0.000 0.607 120 E N 0.628 120.662 120.200 -0.276 0.000 2.150 120 E HA -0.050 4.332 4.350 0.053 0.000 0.193 120 E C 0.489 176.933 176.600 -0.261 0.000 0.985 120 E CA 0.599 56.808 56.400 -0.317 0.000 0.814 120 E CB 0.454 29.934 29.700 -0.366 0.000 0.752 120 E HN 0.117 nan 8.360 nan 0.000 0.466 121 R N 1.187 121.596 120.500 -0.152 0.000 2.410 121 R HA 0.335 4.707 4.340 0.053 0.000 0.288 121 R C 0.395 176.733 176.300 0.064 0.000 1.051 121 R CA -0.261 55.823 56.100 -0.027 0.000 1.021 121 R CB 0.605 30.876 30.300 -0.048 0.000 1.032 121 R HN 0.178 nan 8.270 nan 0.000 0.481 122 I N -0.741 119.931 120.570 0.170 0.000 2.910 122 I HA 0.604 4.806 4.170 0.053 0.000 0.310 122 I C -2.132 174.044 176.117 0.098 0.000 1.043 122 I CA -2.921 58.463 61.300 0.139 0.000 1.053 122 I CB 1.683 39.792 38.000 0.182 0.000 1.242 122 I HN 0.239 nan 8.210 nan 0.000 0.452 123 P HA 0.084 nan 4.420 nan 0.000 0.265 123 P C -0.884 176.444 177.300 0.047 0.000 1.193 123 P CA -0.014 63.111 63.100 0.041 0.000 0.765 123 P CB 0.414 32.127 31.700 0.022 0.000 0.823 124 E N 2.661 122.892 120.200 0.052 0.000 2.342 124 E HA 0.258 4.640 4.350 0.053 0.000 0.257 124 E C -0.451 176.176 176.600 0.045 0.000 1.150 124 E CA -0.920 55.517 56.400 0.061 0.000 0.926 124 E CB 0.642 30.385 29.700 0.072 0.000 1.074 124 E HN 0.251 nan 8.360 nan 0.000 0.449 125 R N 0.458 120.992 120.500 0.057 0.000 2.623 125 R HA 0.010 4.382 4.340 0.053 0.000 0.271 125 R C 1.276 177.613 176.300 0.062 0.000 1.043 125 R CA -0.426 55.706 56.100 0.053 0.000 1.083 125 R CB 0.262 30.614 30.300 0.087 0.000 0.974 125 R HN 0.555 nan 8.270 nan 0.000 0.436 126 I N 1.722 122.323 120.570 0.051 0.000 2.226 126 I HA -0.135 4.067 4.170 0.053 0.000 0.245 126 I C 1.204 177.377 176.117 0.093 0.000 1.100 126 I CA 1.509 62.848 61.300 0.065 0.000 1.374 126 I CB -1.022 37.020 38.000 0.071 0.000 1.057 126 I HN 0.413 nan 8.210 nan 0.000 0.413 127 V N -3.447 116.558 119.914 0.151 0.000 3.102 127 V HA 0.505 4.657 4.120 0.053 0.000 0.312 127 V C 0.393 176.664 176.094 0.294 0.000 1.135 127 V CA -0.880 61.537 62.300 0.196 0.000 1.022 127 V CB 1.735 33.746 31.823 0.313 0.000 1.056 127 V HN 0.435 nan 8.190 nan 0.000 0.436 128 H N 0.310 119.450 119.070 0.117 0.000 2.820 128 H HA -0.229 4.359 4.556 0.053 0.000 0.295 128 H C 1.522 176.901 175.328 0.085 0.000 1.187 128 H CA 0.763 56.871 56.048 0.100 0.000 1.144 128 H CB -1.208 28.602 29.762 0.080 0.000 1.354 128 H HN 1.157 nan 8.280 nan 0.000 0.395 129 A N 0.681 123.595 122.820 0.156 0.000 2.067 129 A HA -0.084 4.268 4.320 0.053 0.000 0.219 129 A C 1.664 179.342 177.584 0.156 0.000 1.158 129 A CA 1.169 53.287 52.037 0.134 0.000 0.661 129 A CB -0.028 19.029 19.000 0.094 0.000 0.801 129 A HN 0.261 nan 8.150 nan 0.000 0.452 130 R N 0.096 120.689 120.500 0.156 0.000 2.207 130 R HA 0.534 4.906 4.340 0.053 0.000 0.334 130 R C -0.162 176.270 176.300 0.219 0.000 1.013 130 R CA 0.617 56.827 56.100 0.184 0.000 0.858 130 R CB 0.439 30.832 30.300 0.154 0.000 1.094 130 R HN 0.311 nan 8.270 nan 0.000 0.457 131 G N 0.774 109.731 108.800 0.261 0.000 2.646 131 G HA2 0.516 4.508 3.960 0.053 0.000 0.291 131 G HA3 0.516 4.508 3.960 0.053 0.000 0.291 131 G C -1.640 173.428 174.900 0.280 0.000 1.445 131 G CA -0.596 44.627 45.100 0.205 0.000 0.814 131 G HN 0.502 nan 8.290 nan 0.000 0.495 132 S N -1.119 114.692 115.700 0.185 0.000 2.541 132 S HA 0.893 5.395 4.470 0.053 0.000 0.280 132 S C -0.219 174.400 174.600 0.031 0.000 1.112 132 S CA -0.133 58.231 58.200 0.273 0.000 0.925 132 S CB 1.783 65.261 63.200 0.463 0.000 1.067 132 S HN 1.635 nan 8.310 nan 0.000 0.479 133 A N 1.419 124.216 122.820 -0.038 0.000 2.515 133 A HA 1.024 5.376 4.320 0.053 0.000 0.296 133 A C -0.981 176.404 177.584 -0.331 0.000 1.094 133 A CA -0.747 51.052 52.037 -0.397 0.000 0.718 133 A CB 1.631 20.256 19.000 -0.625 0.000 1.307 133 A HN 1.367 nan 8.150 nan 0.000 0.408 134 A N 0.677 123.144 122.820 -0.588 0.000 2.594 134 A HA 0.705 5.057 4.320 0.053 0.000 0.295 134 A C -0.995 176.395 177.584 -0.324 0.000 1.071 134 A CA -0.659 51.201 52.037 -0.296 0.000 0.685 134 A CB 0.727 19.649 19.000 -0.132 0.000 1.285 134 A HN 0.880 nan 8.150 nan 0.000 0.405 135 H N -0.080 119.021 119.070 0.051 0.000 2.551 135 H HA 0.607 5.195 4.556 0.053 0.000 0.358 135 H C 0.720 176.051 175.328 0.004 0.000 1.151 135 H CA 1.216 57.345 56.048 0.134 0.000 1.374 135 H CB 1.684 31.516 29.762 0.116 0.000 1.473 135 H HN 1.107 nan 8.280 nan 0.000 0.574 136 G N 0.892 109.785 108.800 0.155 0.000 2.588 136 G HA2 0.353 4.345 3.960 0.053 0.000 0.281 136 G HA3 0.353 4.345 3.960 0.053 0.000 0.281 136 G C -1.972 173.065 174.900 0.227 0.000 1.223 136 G CA -0.596 44.572 45.100 0.113 0.000 0.871 136 G HN 0.629 nan 8.290 nan 0.000 0.492 137 Y N -1.674 118.662 120.300 0.060 0.000 2.597 137 Y HA 0.839 5.421 4.550 0.053 0.000 0.340 137 Y C -1.805 174.231 175.900 0.228 0.000 1.097 137 Y CA -1.992 56.189 58.100 0.136 0.000 1.037 137 Y CB 1.935 40.444 38.460 0.083 0.000 1.305 137 Y HN 0.785 nan 8.280 nan 0.000 0.463 138 F N 2.133 122.215 119.950 0.219 0.000 2.551 138 F HA 0.690 5.249 4.527 0.053 0.000 0.316 138 F C -1.236 174.754 175.800 0.316 0.000 1.089 138 F CA -0.557 57.588 58.000 0.241 0.000 0.915 138 F CB 2.340 41.636 39.000 0.492 0.000 1.186 138 F HN 0.792 nan 8.300 nan 0.000 0.456 139 Q N 6.727 125.982 119.800 -0.907 0.000 2.315 139 Q HA 0.498 4.870 4.340 0.053 0.000 0.273 139 Q C -2.887 172.440 176.000 -1.123 0.000 1.053 139 Q CA -2.428 52.989 55.803 -0.644 0.000 0.817 139 Q CB 3.257 31.888 28.738 -0.178 0.000 1.326 139 Q HN 0.349 nan 8.270 nan 0.000 0.423 140 P HA 0.094 nan 4.420 nan 0.000 0.281 140 P C -0.505 176.643 177.300 -0.253 0.000 1.249 140 P CA -0.015 62.834 63.100 -0.417 0.000 0.810 140 P CB 0.727 32.366 31.700 -0.101 0.000 1.008 141 Y N 0.731 120.971 120.300 -0.100 0.000 2.337 141 Y HA -0.053 4.529 4.550 0.054 0.000 0.293 141 Y C 1.534 177.406 175.900 -0.046 0.000 1.123 141 Y CA 0.565 58.626 58.100 -0.064 0.000 1.201 141 Y CB 0.240 38.671 38.460 -0.049 0.000 1.011 141 Y HN 0.360 nan 8.280 nan 0.000 0.545 142 K N -0.948 119.514 120.400 0.103 0.000 2.522 142 K HA 0.403 4.755 4.320 0.053 0.000 0.275 142 K C -0.850 175.753 176.600 0.004 0.000 1.006 142 K CA -0.966 55.348 56.287 0.046 0.000 0.890 142 K CB 1.587 34.115 32.500 0.047 0.000 1.475 142 K HN -0.241 nan 8.250 nan 0.000 0.441 143 S N 0.888 116.588 115.700 -0.001 0.000 2.537 143 S HA 0.114 4.616 4.470 0.053 0.000 0.286 143 S C 0.448 175.034 174.600 -0.023 0.000 1.299 143 S CA -0.595 57.595 58.200 -0.017 0.000 1.067 143 S CB -0.236 62.957 63.200 -0.011 0.000 0.864 143 S HN 0.552 nan 8.310 nan 0.000 0.494 144 L N 4.915 126.112 121.223 -0.042 0.000 2.848 144 L HA 0.127 4.499 4.340 0.053 0.000 0.240 144 L C 2.029 178.880 176.870 -0.031 0.000 1.232 144 L CA -0.012 54.811 54.840 -0.029 0.000 1.031 144 L CB -0.297 41.746 42.059 -0.027 0.000 1.338 144 L HN 0.869 nan 8.230 nan 0.000 0.509 145 S N -1.950 113.730 115.700 -0.033 0.000 2.442 145 S HA -0.167 4.335 4.470 0.053 0.000 0.236 145 S C 1.247 175.828 174.600 -0.031 0.000 1.007 145 S CA 0.934 59.113 58.200 -0.035 0.000 0.965 145 S CB -0.133 63.050 63.200 -0.027 0.000 0.773 145 S HN 0.387 nan 8.310 nan 0.000 0.504 146 D N 2.048 122.435 120.400 -0.022 0.000 2.264 146 D HA 0.016 4.688 4.640 0.053 0.000 0.208 146 D C 1.748 178.030 176.300 -0.029 0.000 0.966 146 D CA 1.347 55.334 54.000 -0.021 0.000 0.864 146 D CB -0.184 40.609 40.800 -0.012 0.000 0.933 146 D HN 0.819 nan 8.370 nan 0.000 0.499 147 I N -4.433 116.120 120.570 -0.027 0.000 4.323 147 I HA 0.233 4.435 4.170 0.053 0.000 0.328 147 I C 0.429 176.506 176.117 -0.067 0.000 1.310 147 I CA -0.071 61.205 61.300 -0.040 0.000 1.186 147 I CB 1.159 39.157 38.000 -0.005 0.000 1.130 147 I HN -0.260 nan 8.210 nan 0.000 0.411 148 T N 1.721 116.238 114.554 -0.062 0.000 2.956 148 T HA 0.330 4.711 4.350 0.053 0.000 0.312 148 T C -0.137 174.510 174.700 -0.087 0.000 1.151 148 T CA -0.702 61.343 62.100 -0.092 0.000 1.024 148 T CB 1.763 70.567 68.868 -0.106 0.000 1.140 148 T HN 0.426 nan 8.240 nan 0.000 0.473 149 K N 2.594 122.941 120.400 -0.089 0.000 2.469 149 K HA 0.591 4.943 4.320 0.053 0.000 0.201 149 K C 0.663 177.225 176.600 -0.063 0.000 1.028 149 K CA -0.408 55.838 56.287 -0.068 0.000 1.170 149 K CB 0.233 32.699 32.500 -0.057 0.000 0.874 149 K HN 0.485 nan 8.250 nan 0.000 0.507 150 A N 1.928 124.689 122.820 -0.098 0.000 2.522 150 A HA -0.047 4.305 4.320 0.053 0.000 0.256 150 A C 0.551 178.099 177.584 -0.060 0.000 1.086 150 A CA 0.028 52.019 52.037 -0.078 0.000 0.763 150 A CB 0.106 18.997 19.000 -0.182 0.000 1.024 150 A HN 0.498 nan 8.150 nan 0.000 0.502 151 D N 2.108 122.542 120.400 0.057 0.000 2.178 151 D HA -0.206 4.466 4.640 0.053 0.000 0.202 151 D C 1.351 177.716 176.300 0.108 0.000 0.974 151 D CA 2.073 56.118 54.000 0.075 0.000 0.841 151 D CB -0.229 40.640 40.800 0.115 0.000 0.953 151 D HN 0.729 nan 8.370 nan 0.000 0.478 152 F N -0.592 119.376 119.950 0.030 0.000 2.546 152 F HA 0.137 4.697 4.527 0.054 0.000 0.298 152 F C 1.078 176.961 175.800 0.138 0.000 1.120 152 F CA 0.440 58.497 58.000 0.094 0.000 1.456 152 F CB -0.218 38.834 39.000 0.088 0.000 1.088 152 F HN -0.059 nan 8.300 nan 0.000 0.572 153 L N 0.811 121.721 121.223 -0.522 0.000 2.769 153 L HA 0.184 4.556 4.340 0.053 0.000 0.240 153 L C 1.879 178.651 176.870 -0.163 0.000 1.163 153 L CA 0.354 54.952 54.840 -0.404 0.000 0.962 153 L CB -0.120 41.598 42.059 -0.569 0.000 1.258 153 L HN 0.329 nan 8.230 nan 0.000 0.513 154 S N -2.479 113.170 115.700 -0.084 0.000 2.524 154 S HA 0.046 4.548 4.470 0.053 0.000 0.216 154 S C 0.387 174.980 174.600 -0.012 0.000 0.987 154 S CA -0.115 58.061 58.200 -0.040 0.000 0.909 154 S CB 0.181 63.372 63.200 -0.015 0.000 0.781 154 S HN 0.340 nan 8.310 nan 0.000 0.521 155 D N 0.776 121.178 120.400 0.003 0.000 2.861 155 D HA 0.303 4.975 4.640 0.053 0.000 0.216 155 D C -2.463 173.849 176.300 0.020 0.000 1.323 155 D CA -1.804 52.206 54.000 0.016 0.000 0.917 155 D CB 2.112 42.930 40.800 0.029 0.000 1.582 155 D HN -0.154 nan 8.370 nan 0.000 0.576 156 P HA -0.112 nan 4.420 nan 0.000 0.221 156 P C 0.509 177.823 177.300 0.023 0.000 1.145 156 P CA 0.721 63.830 63.100 0.015 0.000 0.795 156 P CB 0.472 32.191 31.700 0.031 0.000 0.775 157 N N -0.365 118.354 118.700 0.030 0.000 2.467 157 N HA -0.017 4.755 4.740 0.053 0.000 0.184 157 N C 0.782 176.323 175.510 0.050 0.000 1.106 157 N CA 0.455 53.526 53.050 0.035 0.000 0.892 157 N CB -0.096 38.409 38.487 0.030 0.000 0.969 157 N HN 0.291 nan 8.380 nan 0.000 0.454 158 K N 1.526 121.965 120.400 0.066 0.000 2.285 158 K HA 0.204 4.556 4.320 0.053 0.000 0.286 158 K C -0.467 176.223 176.600 0.149 0.000 1.072 158 K CA -0.411 55.939 56.287 0.105 0.000 0.913 158 K CB 0.445 33.018 32.500 0.121 0.000 1.067 158 K HN 0.042 nan 8.250 nan 0.000 0.479 159 I N 1.363 122.025 120.570 0.153 0.000 2.441 159 I HA 0.335 4.537 4.170 0.053 0.000 0.295 159 I C -0.870 175.416 176.117 0.281 0.000 0.994 159 I CA 0.096 61.521 61.300 0.209 0.000 1.144 159 I CB 2.231 40.316 38.000 0.142 0.000 1.314 159 I HN 0.318 nan 8.210 nan 0.000 0.445 160 T N 7.828 122.636 114.554 0.423 0.000 2.791 160 T HA 0.498 4.880 4.350 0.053 0.000 0.288 160 T C -2.566 172.397 174.700 0.438 0.000 0.999 160 T CA -1.070 61.304 62.100 0.457 0.000 0.952 160 T CB 1.266 70.509 68.868 0.624 0.000 0.938 160 T HN 0.469 nan 8.240 nan 0.000 0.444 161 P HA 0.273 nan 4.420 nan 0.000 0.269 161 P C -0.696 176.843 177.300 0.398 0.000 1.215 161 P CA -0.443 62.850 63.100 0.322 0.000 0.780 161 P CB 0.551 32.366 31.700 0.191 0.000 0.898 162 V N -0.479 119.613 119.914 0.297 0.000 3.040 162 V HA 0.728 4.880 4.120 0.053 0.000 0.312 162 V C -1.354 174.884 176.094 0.240 0.000 1.115 162 V CA -0.945 61.434 62.300 0.130 0.000 0.998 162 V CB 2.200 33.887 31.823 -0.228 0.000 1.042 162 V HN 0.324 nan 8.190 nan 0.000 0.433 163 F N 2.462 122.396 119.950 -0.027 0.000 2.518 163 F HA 0.851 5.410 4.527 0.053 0.000 0.323 163 F C -0.862 174.841 175.800 -0.163 0.000 1.129 163 F CA -0.767 57.156 58.000 -0.129 0.000 0.920 163 F CB 2.006 40.958 39.000 -0.080 0.000 1.160 163 F HN 0.527 nan 8.300 nan 0.000 0.440 164 V N 6.736 126.156 119.914 -0.825 0.000 2.540 164 V HA 0.557 4.709 4.120 0.053 0.000 0.302 164 V C -0.696 174.712 176.094 -1.143 0.000 1.035 164 V CA -0.825 60.931 62.300 -0.907 0.000 0.873 164 V CB 1.946 33.161 31.823 -1.012 0.000 0.992 164 V HN 0.742 nan 8.190 nan 0.000 0.428 165 R N 3.804 123.621 120.500 -1.139 0.000 2.437 165 R HA 0.633 5.005 4.340 0.053 0.000 0.310 165 R C -1.616 174.071 176.300 -1.021 0.000 0.955 165 R CA -0.424 55.105 56.100 -0.952 0.000 0.851 165 R CB 1.199 31.108 30.300 -0.651 0.000 1.161 165 R HN 0.554 nan 8.270 nan 0.000 0.446 166 F N 1.821 121.339 119.950 -0.721 0.000 2.432 166 F HA 0.513 5.072 4.527 0.053 0.000 0.329 166 F C 0.424 175.861 175.800 -0.605 0.000 1.076 166 F CA -0.257 57.199 58.000 -0.907 0.000 1.018 166 F CB 2.182 40.134 39.000 -1.746 0.000 1.201 166 F HN 0.606 nan 8.300 nan 0.000 0.489 167 S N -1.090 114.534 115.700 -0.127 0.000 2.615 167 S HA 0.595 5.097 4.470 0.053 0.000 0.269 167 S C -0.595 174.150 174.600 0.242 0.000 1.161 167 S CA -0.958 57.316 58.200 0.124 0.000 0.817 167 S CB 1.319 64.639 63.200 0.200 0.000 1.131 167 S HN 0.719 nan 8.310 nan 0.000 0.467 168 T N -1.501 113.194 114.554 0.235 0.000 2.865 168 T HA 0.677 5.059 4.350 0.053 0.000 0.302 168 T C 0.783 175.462 174.700 -0.036 0.000 1.078 168 T CA -0.091 62.104 62.100 0.159 0.000 0.942 168 T CB 0.310 69.272 68.868 0.158 0.000 1.387 168 T HN 0.631 nan 8.240 nan 0.000 0.557 169 V N -0.263 119.577 119.914 -0.123 0.000 3.058 169 V HA 0.126 4.278 4.120 0.053 0.000 0.233 169 V C 2.718 178.735 176.094 -0.129 0.000 1.255 169 V CA 0.291 62.377 62.300 -0.356 0.000 1.267 169 V CB -0.168 31.538 31.823 -0.195 0.000 1.049 169 V HN 0.860 nan 8.190 nan 0.000 0.486 170 Q N 1.046 120.812 119.800 -0.058 0.000 2.033 170 Q HA 0.070 4.442 4.340 0.053 0.000 0.196 170 Q C 1.282 177.261 176.000 -0.036 0.000 0.970 170 Q CA 1.458 57.226 55.803 -0.058 0.000 0.828 170 Q CB -0.206 28.485 28.738 -0.078 0.000 0.895 170 Q HN 0.583 nan 8.270 nan 0.000 0.440 171 G N -0.256 108.537 108.800 -0.013 0.000 2.599 171 G HA2 0.409 4.401 3.960 0.053 0.000 0.264 171 G HA3 0.409 4.401 3.960 0.053 0.000 0.264 171 G C 0.074 174.982 174.900 0.013 0.000 1.200 171 G CA 0.037 45.133 45.100 -0.007 0.000 0.896 171 G HN 0.341 nan 8.290 nan 0.000 0.536 172 G N -1.261 107.542 108.800 0.005 0.000 2.684 172 G HA2 0.467 4.459 3.960 0.053 0.000 0.255 172 G HA3 0.467 4.459 3.960 0.053 0.000 0.255 172 G C 1.342 176.272 174.900 0.051 0.000 1.219 172 G CA 0.458 45.572 45.100 0.023 0.000 0.901 172 G HN 1.087 nan 8.290 nan 0.000 0.548 173 A N -0.464 122.397 122.820 0.068 0.000 2.076 173 A HA 0.108 4.460 4.320 0.053 0.000 0.220 173 A C 2.188 179.811 177.584 0.065 0.000 1.160 173 A CA 2.001 54.099 52.037 0.100 0.000 0.653 173 A CB -0.325 18.750 19.000 0.125 0.000 0.801 173 A HN 1.162 nan 8.150 nan 0.000 0.455 174 G N -0.270 108.549 108.800 0.032 0.000 3.434 174 G HA2 0.346 4.338 3.960 0.053 0.000 0.258 174 G HA3 0.346 4.338 3.960 0.053 0.000 0.258 174 G C 0.664 175.564 174.900 0.001 0.000 1.128 174 G CA 0.658 45.761 45.100 0.005 0.000 0.792 174 G HN 0.658 nan 8.290 nan 0.000 0.539 175 S N -0.111 115.598 115.700 0.015 0.000 2.641 175 S HA 0.717 5.219 4.470 0.053 0.000 0.261 175 S C 0.511 175.123 174.600 0.020 0.000 1.257 175 S CA -0.013 58.193 58.200 0.009 0.000 0.983 175 S CB 1.496 64.702 63.200 0.010 0.000 0.990 175 S HN 0.598 nan 8.310 nan 0.000 0.572 176 A N 0.198 123.025 122.820 0.011 0.000 2.302 176 A HA 0.432 4.784 4.320 0.053 0.000 0.285 176 A C 0.623 178.224 177.584 0.028 0.000 1.105 176 A CA -0.614 51.425 52.037 0.004 0.000 0.816 176 A CB -0.028 18.957 19.000 -0.025 0.000 1.067 176 A HN 0.861 nan 8.150 nan 0.000 0.489 177 D N 0.636 121.042 120.400 0.010 0.000 2.123 177 D HA -0.073 4.599 4.640 0.053 0.000 0.200 177 D C 1.613 177.879 176.300 -0.057 0.000 0.976 177 D CA 2.258 56.271 54.000 0.022 0.000 0.831 177 D CB -0.177 40.585 40.800 -0.064 0.000 0.974 177 D HN 0.678 nan 8.370 nan 0.000 0.469 178 T N -0.389 114.064 114.554 -0.169 0.000 3.287 178 T HA 0.282 4.664 4.350 0.053 0.000 0.253 178 T C 0.869 175.544 174.700 -0.042 0.000 0.975 178 T CA -0.558 61.425 62.100 -0.195 0.000 0.912 178 T CB -0.861 67.819 68.868 -0.314 0.000 1.071 178 T HN -0.067 nan 8.240 nan 0.000 0.578 179 V N -0.999 118.940 119.914 0.042 0.000 3.287 179 V HA 0.338 4.490 4.120 0.053 0.000 0.306 179 V C 0.751 176.981 176.094 0.227 0.000 1.103 179 V CA -1.249 61.129 62.300 0.129 0.000 1.159 179 V CB 0.240 32.132 31.823 0.115 0.000 1.036 179 V HN 0.586 nan 8.190 nan 0.000 0.487 180 R N 1.887 122.590 120.500 0.338 0.000 2.248 180 R HA 0.453 4.825 4.340 0.053 0.000 0.328 180 R C -0.954 175.430 176.300 0.140 0.000 1.067 180 R CA -0.074 56.176 56.100 0.250 0.000 0.924 180 R CB 0.174 30.571 30.300 0.161 0.000 1.013 180 R HN 1.065 nan 8.270 nan 0.000 0.454 181 D N 3.457 123.950 120.400 0.155 0.000 2.694 181 D HA 0.168 4.840 4.640 0.053 0.000 0.260 181 D C -0.486 175.932 176.300 0.196 0.000 1.250 181 D CA -0.639 53.442 54.000 0.135 0.000 0.763 181 D CB 1.193 42.061 40.800 0.114 0.000 1.311 181 D HN 0.234 nan 8.370 nan 0.000 0.420 182 I N 1.419 122.126 120.570 0.228 0.000 2.892 182 I HA 0.164 4.366 4.170 0.053 0.000 0.287 182 I C 0.944 177.208 176.117 0.245 0.000 1.205 182 I CA 0.118 61.567 61.300 0.249 0.000 1.409 182 I CB -0.163 38.021 38.000 0.307 0.000 1.367 182 I HN 0.259 nan 8.210 nan 0.000 0.597 183 R N 2.853 123.519 120.500 0.278 0.000 2.664 183 R HA 0.613 4.985 4.340 0.053 0.000 0.286 183 R C -0.019 176.477 176.300 0.327 0.000 0.967 183 R CA -0.758 55.520 56.100 0.297 0.000 0.933 183 R CB 1.511 32.004 30.300 0.321 0.000 1.146 183 R HN 0.814 nan 8.270 nan 0.000 0.468 184 G N 0.488 109.494 108.800 0.343 0.000 2.477 184 G HA2 0.539 4.531 3.960 0.053 0.000 0.304 184 G HA3 0.539 4.531 3.960 0.053 0.000 0.304 184 G C -1.360 173.624 174.900 0.140 0.000 1.175 184 G CA -0.093 45.176 45.100 0.282 0.000 0.907 184 G HN 0.342 nan 8.290 nan 0.000 0.509 185 F N 1.267 121.121 119.950 -0.159 0.000 3.090 185 F HA 0.619 5.178 4.527 0.053 0.000 0.381 185 F C -0.197 175.316 175.800 -0.480 0.000 1.231 185 F CA -1.723 56.083 58.000 -0.322 0.000 1.177 185 F CB 0.909 39.839 39.000 -0.117 0.000 1.598 185 F HN 0.664 nan 8.300 nan 0.000 0.589 186 A N 3.188 125.733 122.820 -0.458 0.000 2.288 186 A HA 0.768 5.120 4.320 0.053 0.000 0.320 186 A C -0.488 176.657 177.584 -0.731 0.000 1.217 186 A CA -0.397 51.217 52.037 -0.704 0.000 0.840 186 A CB 0.680 18.927 19.000 -1.254 0.000 1.179 186 A HN 0.525 nan 8.150 nan 0.000 0.504 187 T N 2.500 116.795 114.554 -0.432 0.000 2.815 187 T HA 0.353 4.735 4.350 0.053 0.000 0.289 187 T C -0.271 174.225 174.700 -0.340 0.000 1.000 187 T CA -0.446 61.386 62.100 -0.447 0.000 0.958 187 T CB 0.918 69.438 68.868 -0.580 0.000 0.944 187 T HN 0.632 nan 8.240 nan 0.000 0.442 188 K N 3.758 124.057 120.400 -0.169 0.000 2.264 188 K HA 0.403 4.755 4.320 0.053 0.000 0.277 188 K C -1.165 175.097 176.600 -0.563 0.000 1.067 188 K CA -0.547 55.528 56.287 -0.352 0.000 0.900 188 K CB 0.226 32.452 32.500 -0.456 0.000 1.124 188 K HN 0.385 nan 8.250 nan 0.000 0.469 189 F N 4.133 123.786 119.950 -0.494 0.000 2.411 189 F HA 0.213 4.773 4.527 0.054 0.000 0.355 189 F C -0.293 175.292 175.800 -0.358 0.000 1.117 189 F CA -0.552 57.226 58.000 -0.371 0.000 1.139 189 F CB 0.650 39.338 39.000 -0.520 0.000 1.120 189 F HN 0.437 nan 8.300 nan 0.000 0.493 190 Y N 1.863 122.221 120.300 0.096 0.000 2.714 190 Y HA 0.216 4.798 4.550 0.052 0.000 0.333 190 Y C 0.988 176.947 175.900 0.098 0.000 1.220 190 Y CA -0.837 57.302 58.100 0.065 0.000 1.513 190 Y CB -0.172 38.317 38.460 0.049 0.000 1.435 190 Y HN 0.551 nan 8.280 nan 0.000 0.489 191 T N -2.560 112.091 114.554 0.163 0.000 2.847 191 T HA 0.191 4.573 4.350 0.053 0.000 0.279 191 T C 0.925 175.720 174.700 0.159 0.000 0.984 191 T CA -0.735 61.469 62.100 0.172 0.000 0.988 191 T CB 1.107 70.051 68.868 0.126 0.000 1.040 191 T HN 0.625 nan 8.240 nan 0.000 0.528 192 E N -0.032 120.265 120.200 0.163 0.000 2.511 192 E HA -0.007 4.375 4.350 0.053 0.000 0.196 192 E C 0.881 177.548 176.600 0.112 0.000 1.066 192 E CA 0.531 57.009 56.400 0.129 0.000 0.871 192 E CB 0.122 29.893 29.700 0.118 0.000 0.863 192 E HN 0.730 nan 8.360 nan 0.000 0.520 193 E N 0.134 120.403 120.200 0.115 0.000 2.734 193 E HA 0.262 4.644 4.350 0.053 0.000 0.211 193 E C 0.137 176.786 176.600 0.082 0.000 0.991 193 E CA -0.252 56.207 56.400 0.098 0.000 1.065 193 E CB 1.411 31.172 29.700 0.101 0.000 1.047 193 E HN 0.182 nan 8.360 nan 0.000 0.470 194 G N 1.163 110.007 108.800 0.073 0.000 2.357 194 G HA2 -0.089 3.903 3.960 0.053 0.000 0.643 194 G HA3 -0.089 3.903 3.960 0.053 0.000 0.643 194 G C -0.945 173.964 174.900 0.015 0.000 1.358 194 G CA -1.131 43.988 45.100 0.032 0.000 0.986 194 G HN 0.017 nan 8.290 nan 0.000 0.620 195 I N 0.697 121.237 120.570 -0.050 0.000 2.556 195 I HA 0.347 4.549 4.170 0.053 0.000 0.284 195 I C 0.058 176.183 176.117 0.013 0.000 1.114 195 I CA 0.157 61.396 61.300 -0.102 0.000 1.418 195 I CB 0.660 38.524 38.000 -0.226 0.000 1.394 195 I HN 0.464 nan 8.210 nan 0.000 0.552 196 F N 6.822 126.665 119.950 -0.178 0.000 2.449 196 F HA 0.450 5.009 4.527 0.054 0.000 0.342 196 F C -0.626 175.134 175.800 -0.065 0.000 1.127 196 F CA -1.223 56.679 58.000 -0.164 0.000 0.975 196 F CB 0.862 39.628 39.000 -0.389 0.000 1.146 196 F HN 0.337 nan 8.300 nan 0.000 0.444 197 D N 6.873 127.056 120.400 -0.361 0.000 2.303 197 D HA 0.244 4.916 4.640 0.053 0.000 0.236 197 D C -0.670 175.165 176.300 -0.775 0.000 1.068 197 D CA -0.002 53.737 54.000 -0.435 0.000 0.830 197 D CB 2.292 43.040 40.800 -0.086 0.000 1.109 197 D HN 0.645 nan 8.370 nan 0.000 0.496 198 L N 3.291 124.004 121.223 -0.849 0.000 2.264 198 L HA 0.297 4.669 4.340 0.053 0.000 0.287 198 L C -0.989 175.669 176.870 -0.353 0.000 1.039 198 L CA -0.595 53.850 54.840 -0.659 0.000 0.829 198 L CB 0.669 42.323 42.059 -0.675 0.000 1.211 198 L HN 0.045 nan 8.230 nan 0.000 0.427 199 V N 5.597 125.344 119.914 -0.279 0.000 2.259 199 V HA 0.507 4.659 4.120 0.053 0.000 0.267 199 V C 0.759 176.772 176.094 -0.136 0.000 1.051 199 V CA -0.342 61.810 62.300 -0.246 0.000 0.830 199 V CB 0.596 32.230 31.823 -0.316 0.000 1.080 199 V HN 0.836 nan 8.190 nan 0.000 0.467 200 G N 3.125 111.860 108.800 -0.107 0.000 2.667 200 G HA2 0.673 4.665 3.960 0.053 0.000 0.310 200 G HA3 0.673 4.665 3.960 0.053 0.000 0.310 200 G C -0.864 174.076 174.900 0.067 0.000 1.259 200 G CA -0.592 44.501 45.100 -0.012 0.000 1.019 200 G HN 0.475 nan 8.290 nan 0.000 0.496 201 N N -1.020 117.765 118.700 0.142 0.000 2.966 201 N HA 0.254 5.026 4.740 0.053 0.000 0.314 201 N C 0.346 176.050 175.510 0.324 0.000 1.397 201 N CA -0.758 52.432 53.050 0.234 0.000 0.776 201 N CB 1.330 39.942 38.487 0.208 0.000 1.576 201 N HN 0.538 nan 8.380 nan 0.000 0.592 202 N N -1.351 117.555 118.700 0.344 0.000 2.268 202 N HA -0.001 4.771 4.740 0.053 0.000 0.204 202 N C -0.459 175.331 175.510 0.468 0.000 1.124 202 N CA -0.114 53.199 53.050 0.439 0.000 0.838 202 N CB -0.104 38.610 38.487 0.379 0.000 0.994 202 N HN 0.543 nan 8.380 nan 0.000 0.489 203 T N -3.427 111.212 114.554 0.141 0.000 2.916 203 T HA 0.473 4.855 4.350 0.053 0.000 0.292 203 T C -2.518 171.554 174.700 -1.046 0.000 1.055 203 T CA -1.661 60.066 62.100 -0.622 0.000 1.009 203 T CB 2.946 71.352 68.868 -0.769 0.000 1.118 203 T HN -0.250 nan 8.240 nan 0.000 0.497 204 P HA 0.199 nan 4.420 nan 0.000 0.249 204 P C 0.443 177.233 177.300 -0.850 0.000 1.229 204 P CA 0.117 62.336 63.100 -1.468 0.000 0.788 204 P CB -0.072 30.766 31.700 -1.437 0.000 1.072 205 I N -4.645 115.396 120.570 -0.881 0.000 3.343 205 I HA 0.552 4.754 4.170 0.053 0.000 0.315 205 I C -1.318 174.529 176.117 -0.450 0.000 1.153 205 I CA -1.951 58.982 61.300 -0.612 0.000 0.952 205 I CB 1.354 38.936 38.000 -0.696 0.000 1.287 205 I HN -0.248 nan 8.210 nan 0.000 0.472 206 F N 0.208 119.866 119.950 -0.488 0.000 2.594 206 F HA 0.516 5.074 4.527 0.053 0.000 0.335 206 F C 0.422 175.954 175.800 -0.448 0.000 1.058 206 F CA -0.735 57.003 58.000 -0.437 0.000 0.981 206 F CB 1.912 40.796 39.000 -0.193 0.000 1.289 206 F HN 0.382 nan 8.300 nan 0.000 0.490 207 F N 2.188 121.343 119.950 -1.325 0.000 2.234 207 F HA 0.002 4.561 4.527 0.053 0.000 0.299 207 F C 0.748 176.264 175.800 -0.474 0.000 1.087 207 F CA 0.883 58.320 58.000 -0.938 0.000 1.340 207 F CB -0.257 37.802 39.000 -1.569 0.000 1.031 207 F HN 0.138 nan 8.300 nan 0.000 0.500 208 I N -3.260 117.287 120.570 -0.039 0.000 2.957 208 I HA 0.371 4.573 4.170 0.053 0.000 0.310 208 I C 0.470 176.741 176.117 0.257 0.000 1.063 208 I CA -0.846 60.554 61.300 0.166 0.000 1.033 208 I CB 1.845 40.003 38.000 0.264 0.000 1.230 208 I HN -0.154 nan 8.210 nan 0.000 0.447 209 Q N 0.293 120.242 119.800 0.248 0.000 2.259 209 Q HA 0.127 4.499 4.340 0.053 0.000 0.201 209 Q C -0.249 175.923 176.000 0.286 0.000 0.938 209 Q CA 0.695 56.685 55.803 0.312 0.000 0.872 209 Q CB 0.436 29.419 28.738 0.409 0.000 0.971 209 Q HN 0.646 nan 8.270 nan 0.000 0.494 210 D N -1.147 119.392 120.400 0.233 0.000 2.375 210 D HA 0.302 4.974 4.640 0.053 0.000 0.247 210 D C -0.005 176.419 176.300 0.208 0.000 1.061 210 D CA -0.196 53.911 54.000 0.178 0.000 0.834 210 D CB 1.857 42.736 40.800 0.132 0.000 1.247 210 D HN 0.058 nan 8.370 nan 0.000 0.489 211 A N 3.328 126.242 122.820 0.157 0.000 2.076 211 A HA -0.240 4.112 4.320 0.053 0.000 0.220 211 A C 1.774 179.483 177.584 0.207 0.000 1.160 211 A CA 1.654 53.783 52.037 0.153 0.000 0.653 211 A CB -0.749 18.285 19.000 0.056 0.000 0.801 211 A HN 0.814 nan 8.150 nan 0.000 0.455 212 H N 0.001 119.133 119.070 0.102 0.000 2.457 212 H HA -0.011 4.578 4.556 0.054 0.000 0.297 212 H C 1.597 177.004 175.328 0.132 0.000 1.092 212 H CA 1.855 57.956 56.048 0.088 0.000 1.309 212 H CB 0.068 29.858 29.762 0.045 0.000 1.382 212 H HN 0.409 nan 8.280 nan 0.000 0.535 213 K N -0.612 119.920 120.400 0.221 0.000 2.404 213 K HA -0.041 4.311 4.320 0.053 0.000 0.194 213 K C 1.394 178.134 176.600 0.234 0.000 1.023 213 K CA 0.037 56.450 56.287 0.210 0.000 1.094 213 K CB 0.068 32.745 32.500 0.295 0.000 0.841 213 K HN 0.293 nan 8.250 nan 0.000 0.523 214 F N 2.935 122.945 119.950 0.100 0.000 2.126 214 F HA -0.145 4.413 4.527 0.052 0.000 0.299 214 F C -1.043 174.780 175.800 0.038 0.000 1.096 214 F CA 1.316 59.399 58.000 0.139 0.000 1.255 214 F CB -0.354 38.709 39.000 0.105 0.000 0.997 214 F HN 0.020 nan 8.300 nan 0.000 0.479 215 P HA -0.105 nan 4.420 nan 0.000 0.221 215 P C 0.997 177.984 177.300 -0.521 0.000 1.150 215 P CA 1.489 64.353 63.100 -0.393 0.000 0.800 215 P CB -0.014 31.474 31.700 -0.353 0.000 0.787 216 D N -1.089 119.151 120.400 -0.266 0.000 2.084 216 D HA -0.156 4.516 4.640 0.053 0.000 0.196 216 D C 1.776 177.816 176.300 -0.434 0.000 0.985 216 D CA 1.106 54.992 54.000 -0.190 0.000 0.826 216 D CB -0.853 39.998 40.800 0.086 0.000 0.978 216 D HN 0.149 nan 8.370 nan 0.000 0.456 217 F N 1.759 121.314 119.950 -0.658 0.000 2.134 217 F HA -0.215 4.345 4.527 0.053 0.000 0.299 217 F C 2.230 177.651 175.800 -0.632 0.000 1.097 217 F CA 1.101 58.491 58.000 -1.018 0.000 1.264 217 F CB -0.145 38.501 39.000 -0.591 0.000 1.001 217 F HN -0.248 nan 8.300 nan 0.000 0.479 218 V N 0.263 119.788 119.914 -0.649 0.000 2.358 218 V HA -0.317 3.835 4.120 0.053 0.000 0.246 218 V C 2.288 178.170 176.094 -0.354 0.000 1.047 218 V CA 2.394 64.346 62.300 -0.580 0.000 1.035 218 V CB -0.998 30.483 31.823 -0.570 0.000 0.658 218 V HN 0.460 nan 8.190 nan 0.000 0.452 219 H N -0.221 118.626 119.070 -0.373 0.000 2.352 219 H HA -0.171 4.417 4.556 0.053 0.000 0.299 219 H C 2.334 177.511 175.328 -0.251 0.000 1.097 219 H CA 1.148 57.051 56.048 -0.242 0.000 1.311 219 H CB 0.016 29.686 29.762 -0.153 0.000 1.377 219 H HN 0.487 nan 8.280 nan 0.000 0.504 220 A N 0.443 123.095 122.820 -0.280 0.000 1.902 220 A HA -0.127 4.225 4.320 0.053 0.000 0.217 220 A C 2.549 179.986 177.584 -0.245 0.000 1.181 220 A CA 1.443 53.310 52.037 -0.283 0.000 0.623 220 A CB -0.830 17.882 19.000 -0.481 0.000 0.818 220 A HN 0.297 nan 8.150 nan 0.000 0.443 221 V N 0.046 119.676 119.914 -0.473 0.000 2.548 221 V HA -0.055 4.097 4.120 0.053 0.000 0.249 221 V C 1.054 177.117 176.094 -0.052 0.000 1.055 221 V CA 1.055 63.166 62.300 -0.314 0.000 1.065 221 V CB -0.504 30.938 31.823 -0.634 0.000 0.681 221 V HN 0.370 nan 8.190 nan 0.000 0.462 222 K N 0.751 121.084 120.400 -0.112 0.000 2.187 222 K HA 0.186 4.538 4.320 0.053 0.000 0.247 222 K C -2.255 174.284 176.600 -0.102 0.000 1.019 222 K CA -1.463 54.768 56.287 -0.093 0.000 0.893 222 K CB -0.395 32.044 32.500 -0.101 0.000 1.025 222 K HN 0.170 nan 8.250 nan 0.000 0.500 223 P HA -0.003 nan 4.420 nan 0.000 0.265 223 P C -0.577 176.658 177.300 -0.109 0.000 1.193 223 P CA 0.353 63.314 63.100 -0.233 0.000 0.765 223 P CB 0.369 31.943 31.700 -0.209 0.000 0.823 224 E N 5.320 125.505 120.200 -0.026 0.000 2.415 224 E HA -0.019 4.363 4.350 0.053 0.000 0.262 224 E C -1.289 175.388 176.600 0.128 0.000 1.038 224 E CA -1.213 55.279 56.400 0.154 0.000 0.921 224 E CB 0.104 30.029 29.700 0.375 0.000 0.950 224 E HN 0.426 nan 8.360 nan 0.000 0.438 225 P HA -0.173 nan 4.420 nan 0.000 0.227 225 P C 0.939 178.307 177.300 0.113 0.000 1.161 225 P CA 1.220 64.357 63.100 0.061 0.000 0.788 225 P CB 0.068 31.779 31.700 0.017 0.000 0.822 226 H N -0.395 118.711 119.070 0.060 0.000 2.299 226 H HA -0.087 4.501 4.556 0.054 0.000 0.302 226 H C 1.443 176.872 175.328 0.167 0.000 1.078 226 H CA 1.519 57.590 56.048 0.039 0.000 1.323 226 H CB -1.424 28.284 29.762 -0.089 0.000 1.381 226 H HN 0.287 nan 8.280 nan 0.000 0.498 227 W N -0.029 120.892 121.300 -0.631 0.000 2.870 227 W HA 0.699 5.391 4.660 0.053 0.000 0.358 227 W C 0.497 176.848 176.519 -0.280 0.000 1.043 227 W CA -1.044 56.065 57.345 -0.394 0.000 1.692 227 W CB -0.783 28.422 29.460 -0.424 0.000 1.100 227 W HN 0.480 nan 8.180 nan 0.000 0.557 228 A N 1.263 124.062 122.820 -0.036 0.000 2.667 228 A HA -0.155 4.197 4.320 0.053 0.000 0.298 228 A C -0.379 176.965 177.584 -0.400 0.000 1.483 228 A CA 1.427 53.361 52.037 -0.173 0.000 0.738 228 A CB -2.416 16.511 19.000 -0.123 0.000 1.067 228 A HN 0.461 nan 8.150 nan 0.000 0.451 229 I N 0.430 120.603 120.570 -0.663 0.000 2.730 229 I HA 0.553 4.755 4.170 0.053 0.000 0.298 229 I C -2.440 173.363 176.117 -0.523 0.000 1.089 229 I CA -2.441 58.382 61.300 -0.794 0.000 1.041 229 I CB 2.923 39.963 38.000 -1.600 0.000 1.235 229 I HN 0.210 nan 8.210 nan 0.000 0.423 230 P HA 0.292 nan 4.420 nan 0.000 0.292 230 P C -1.516 175.621 177.300 -0.271 0.000 1.300 230 P CA -0.821 62.062 63.100 -0.361 0.000 0.900 230 P CB 1.650 33.217 31.700 -0.221 0.000 1.139 231 Q N 1.008 120.691 119.800 -0.194 0.000 2.286 231 Q HA 0.473 4.845 4.340 0.053 0.000 0.257 231 Q C 1.146 177.105 176.000 -0.069 0.000 0.941 231 Q CA 1.163 56.890 55.803 -0.126 0.000 0.912 231 Q CB -0.381 28.294 28.738 -0.106 0.000 1.192 231 Q HN 0.829 nan 8.270 nan 0.000 0.410 232 G N 3.257 112.026 108.800 -0.051 0.000 2.160 232 G HA2 -0.282 3.710 3.960 0.053 0.000 0.251 232 G HA3 -0.282 3.710 3.960 0.053 0.000 0.251 232 G C -0.381 174.530 174.900 0.019 0.000 1.008 232 G CA 0.446 45.541 45.100 -0.007 0.000 0.724 232 G HN 0.542 nan 8.290 nan 0.000 0.514 233 Q N -0.990 118.807 119.800 -0.005 0.000 2.315 233 Q HA 0.558 4.930 4.340 0.053 0.000 0.273 233 Q C 0.702 176.710 176.000 0.013 0.000 1.053 233 Q CA -0.119 55.709 55.803 0.041 0.000 0.817 233 Q CB 1.824 30.629 28.738 0.111 0.000 1.326 233 Q HN 0.463 nan 8.270 nan 0.000 0.423 234 S N -0.521 115.088 115.700 -0.153 0.000 2.556 234 S HA 0.206 4.708 4.470 0.053 0.000 0.216 234 S C 0.918 175.424 174.600 -0.156 0.000 0.970 234 S CA -0.003 57.867 58.200 -0.550 0.000 0.912 234 S CB 0.375 62.678 63.200 -1.495 0.000 0.790 234 S HN 0.597 nan 8.310 nan 0.000 0.504 235 A N 2.318 125.258 122.820 0.201 0.000 3.051 235 A HA 0.495 4.847 4.320 0.053 0.000 0.257 235 A C 0.149 177.970 177.584 0.395 0.000 1.785 235 A CA -0.525 51.725 52.037 0.355 0.000 1.420 235 A CB -1.311 17.849 19.000 0.267 0.000 1.063 235 A HN 0.900 nan 8.150 nan 0.000 0.630 236 H N -3.924 115.332 119.070 0.309 0.000 3.017 236 H HA 0.521 5.109 4.556 0.054 0.000 0.346 236 H C -0.205 175.315 175.328 0.319 0.000 1.286 236 H CA -0.757 55.444 56.048 0.255 0.000 1.120 236 H CB 0.296 30.168 29.762 0.184 0.000 1.860 236 H HN 0.052 nan 8.280 nan 0.000 0.542 237 D N 0.154 120.719 120.400 0.276 0.000 2.133 237 D HA -0.208 4.464 4.640 0.053 0.000 0.195 237 D C 2.054 178.409 176.300 0.091 0.000 0.997 237 D CA 3.072 57.172 54.000 0.165 0.000 0.840 237 D CB -0.324 40.551 40.800 0.125 0.000 0.947 237 D HN 0.781 nan 8.370 nan 0.000 0.452 238 T N -1.850 112.750 114.554 0.077 0.000 2.904 238 T HA -0.142 4.240 4.350 0.053 0.000 0.267 238 T C 1.884 176.515 174.700 -0.113 0.000 1.059 238 T CA 0.452 62.571 62.100 0.031 0.000 1.137 238 T CB -0.655 68.282 68.868 0.116 0.000 0.879 238 T HN 0.136 nan 8.240 nan 0.000 0.467 239 F N 0.998 120.625 119.950 -0.539 0.000 2.075 239 F HA 0.061 4.620 4.527 0.053 0.000 0.297 239 F C 1.861 177.377 175.800 -0.473 0.000 1.113 239 F CA 0.791 58.394 58.000 -0.661 0.000 1.218 239 F CB -0.662 37.741 39.000 -0.995 0.000 0.984 239 F HN 0.142 nan 8.300 nan 0.000 0.472 240 W N 0.630 121.861 121.300 -0.115 0.000 2.425 240 W HA -0.112 4.580 4.660 0.054 0.000 0.277 240 W C 2.288 178.727 176.519 -0.133 0.000 1.231 240 W CA 0.993 58.261 57.345 -0.127 0.000 1.248 240 W CB -0.587 28.885 29.460 0.019 0.000 1.117 240 W HN 0.091 nan 8.180 nan 0.000 0.568 241 D N -0.557 119.877 120.400 0.057 0.000 2.078 241 D HA -0.294 4.378 4.640 0.053 0.000 0.193 241 D C 1.884 178.181 176.300 -0.005 0.000 0.990 241 D CA 1.556 55.577 54.000 0.035 0.000 0.827 241 D CB -0.621 40.209 40.800 0.049 0.000 0.975 241 D HN 0.177 nan 8.370 nan 0.000 0.451 242 Y N 0.569 120.759 120.300 -0.183 0.000 2.097 242 Y HA -0.242 4.341 4.550 0.054 0.000 0.282 242 Y C 2.315 178.083 175.900 -0.220 0.000 1.152 242 Y CA 1.733 59.713 58.100 -0.200 0.000 1.136 242 Y CB -0.555 37.744 38.460 -0.267 0.000 0.975 242 Y HN -0.105 nan 8.280 nan 0.000 0.498 243 V N 0.269 120.061 119.914 -0.203 0.000 2.252 243 V HA -0.390 3.762 4.120 0.053 0.000 0.249 243 V C 2.643 178.688 176.094 -0.081 0.000 1.056 243 V CA 2.435 64.615 62.300 -0.199 0.000 1.022 243 V CB -1.380 30.231 31.823 -0.352 0.000 0.641 243 V HN 0.687 nan 8.190 nan 0.000 0.445 244 S N -0.065 115.633 115.700 -0.003 0.000 2.419 244 S HA -0.125 4.377 4.470 0.053 0.000 0.235 244 S C 1.714 176.286 174.600 -0.046 0.000 1.019 244 S CA 1.662 59.878 58.200 0.027 0.000 0.982 244 S CB -0.552 62.690 63.200 0.071 0.000 0.789 244 S HN 0.570 nan 8.310 nan 0.000 0.490 245 L N -0.080 121.067 121.223 -0.126 0.000 2.585 245 L HA 0.310 4.682 4.340 0.053 0.000 0.226 245 L C 0.572 177.276 176.870 -0.277 0.000 1.113 245 L CA 0.142 54.879 54.840 -0.171 0.000 0.876 245 L CB -0.014 41.947 42.059 -0.164 0.000 1.072 245 L HN 0.253 nan 8.230 nan 0.000 0.468 246 Q N 0.071 119.665 119.800 -0.343 0.000 3.090 246 Q HA 0.238 4.610 4.340 0.053 0.000 0.241 246 Q C -1.996 173.794 176.000 -0.349 0.000 0.958 246 Q CA -1.423 54.135 55.803 -0.409 0.000 0.715 246 Q CB 1.575 29.956 28.738 -0.595 0.000 1.298 246 Q HN -0.034 nan 8.270 nan 0.000 0.468 247 P HA -0.207 nan 4.420 nan 0.000 0.225 247 P C 1.085 178.105 177.300 -0.467 0.000 1.148 247 P CA 1.099 63.963 63.100 -0.393 0.000 0.779 247 P CB 0.254 31.664 31.700 -0.484 0.000 0.780 248 E N 0.443 120.233 120.200 -0.682 0.000 2.209 248 E HA -0.192 4.190 4.350 0.053 0.000 0.196 248 E C 1.387 177.945 176.600 -0.069 0.000 0.993 248 E CA 1.854 58.084 56.400 -0.284 0.000 0.819 248 E CB -1.364 28.239 29.700 -0.162 0.000 0.745 248 E HN 0.281 nan 8.360 nan 0.000 0.477 249 T N -0.566 113.954 114.554 -0.057 0.000 3.072 249 T HA -0.005 4.377 4.350 0.053 0.000 0.266 249 T C 1.911 176.688 174.700 0.128 0.000 1.127 249 T CA 0.539 62.676 62.100 0.061 0.000 1.107 249 T CB -0.322 68.615 68.868 0.115 0.000 0.910 249 T HN 0.150 nan 8.240 nan 0.000 0.513 250 L N -0.015 121.285 121.223 0.128 0.000 2.141 250 L HA -0.041 4.331 4.340 0.053 0.000 0.209 250 L C 2.850 179.892 176.870 0.287 0.000 1.094 250 L CA 1.677 56.665 54.840 0.248 0.000 0.763 250 L CB -0.772 41.447 42.059 0.267 0.000 0.908 250 L HN 0.467 nan 8.230 nan 0.000 0.437 251 H N 0.117 119.234 119.070 0.079 0.000 2.293 251 H HA -0.198 4.390 4.556 0.054 0.000 0.300 251 H C 2.135 177.454 175.328 -0.015 0.000 1.082 251 H CA 1.834 57.922 56.048 0.066 0.000 1.308 251 H CB 0.202 29.965 29.762 0.002 0.000 1.375 251 H HN 0.363 nan 8.280 nan 0.000 0.495 252 N N -0.139 118.367 118.700 -0.324 0.000 2.244 252 N HA -0.131 4.641 4.740 0.053 0.000 0.183 252 N C 1.953 177.295 175.510 -0.280 0.000 1.016 252 N CA 0.763 53.409 53.050 -0.674 0.000 0.866 252 N CB 0.256 37.837 38.487 -1.510 0.000 0.980 252 N HN 0.125 nan 8.380 nan 0.000 0.430 253 V N 1.604 121.589 119.914 0.119 0.000 2.392 253 V HA -0.256 3.896 4.120 0.053 0.000 0.249 253 V C 2.454 178.691 176.094 0.240 0.000 1.059 253 V CA 1.220 63.739 62.300 0.364 0.000 1.051 253 V CB -0.363 31.738 31.823 0.463 0.000 0.658 253 V HN 0.411 nan 8.190 nan 0.000 0.455 254 M N -1.601 118.167 119.600 0.280 0.000 2.080 254 M HA -0.216 4.296 4.480 0.053 0.000 0.260 254 M C 2.073 178.371 176.300 -0.003 0.000 1.068 254 M CA 1.932 57.392 55.300 0.267 0.000 1.109 254 M CB -1.240 31.544 32.600 0.307 0.000 1.342 254 M HN 0.469 nan 8.290 nan 0.000 0.405 255 W N 0.493 121.526 121.300 -0.445 0.000 2.355 255 W HA -0.088 4.604 4.660 0.053 0.000 0.309 255 W C 2.809 179.264 176.519 -0.106 0.000 1.206 255 W CA 1.891 58.954 57.345 -0.470 0.000 1.284 255 W CB -1.041 28.069 29.460 -0.583 0.000 1.145 255 W HN 0.296 nan 8.180 nan 0.000 0.502 256 A N -0.713 122.196 122.820 0.148 0.000 1.972 256 A HA -0.184 4.168 4.320 0.053 0.000 0.219 256 A C 1.925 179.559 177.584 0.083 0.000 1.169 256 A CA 1.701 53.829 52.037 0.152 0.000 0.635 256 A CB -0.528 18.610 19.000 0.230 0.000 0.810 256 A HN 0.127 nan 8.150 nan 0.000 0.446 257 M N 0.334 119.938 119.600 0.007 0.000 2.514 257 M HA 0.056 4.568 4.480 0.053 0.000 0.258 257 M C 1.394 177.727 176.300 0.055 0.000 1.119 257 M CA 0.667 55.901 55.300 -0.111 0.000 1.111 257 M CB -1.111 31.140 32.600 -0.582 0.000 1.390 257 M HN 0.537 nan 8.290 nan 0.000 0.475 258 S N 0.229 116.027 115.700 0.163 0.000 2.641 258 S HA 0.086 4.588 4.470 0.053 0.000 0.261 258 S C 0.754 175.484 174.600 0.216 0.000 1.257 258 S CA -0.334 58.006 58.200 0.234 0.000 0.983 258 S CB 1.032 64.426 63.200 0.324 0.000 0.990 258 S HN 0.170 nan 8.310 nan 0.000 0.572 259 D N 0.193 120.739 120.400 0.244 0.000 2.350 259 D HA 0.029 4.701 4.640 0.053 0.000 0.216 259 D C 1.918 178.368 176.300 0.249 0.000 0.968 259 D CA 0.331 54.498 54.000 0.279 0.000 0.894 259 D CB -0.147 40.886 40.800 0.389 0.000 0.909 259 D HN 0.380 nan 8.370 nan 0.000 0.520 260 R N 0.215 120.854 120.500 0.232 0.000 2.139 260 R HA -0.080 4.292 4.340 0.053 0.000 0.243 260 R C 2.048 178.510 176.300 0.270 0.000 1.145 260 R CA 1.087 57.350 56.100 0.271 0.000 0.976 260 R CB -0.894 29.626 30.300 0.368 0.000 0.866 260 R HN 0.180 nan 8.270 nan 0.000 0.449 261 G N 1.226 110.170 108.800 0.241 0.000 2.776 261 G HA2 -0.017 3.975 3.960 0.053 0.000 0.209 261 G HA3 -0.017 3.975 3.960 0.053 0.000 0.209 261 G C 1.010 176.056 174.900 0.242 0.000 1.145 261 G CA 0.128 45.363 45.100 0.225 0.000 0.791 261 G HN 0.436 nan 8.290 nan 0.000 0.530 262 I N -2.490 118.233 120.570 0.256 0.000 2.933 262 I HA 0.350 4.552 4.170 0.053 0.000 0.306 262 I C -2.919 173.357 176.117 0.265 0.000 1.516 262 I CA -2.528 58.929 61.300 0.261 0.000 0.819 262 I CB 1.684 39.840 38.000 0.261 0.000 2.085 262 I HN -0.270 nan 8.210 nan 0.000 0.621 263 P HA 0.079 nan 4.420 nan 0.000 0.269 263 P C 0.619 178.071 177.300 0.254 0.000 1.215 263 P CA -0.130 63.092 63.100 0.202 0.000 0.780 263 P CB 1.043 32.801 31.700 0.097 0.000 0.898 264 R N 1.608 122.234 120.500 0.209 0.000 2.115 264 R HA 0.038 4.410 4.340 0.053 0.000 0.230 264 R C 0.383 176.824 176.300 0.235 0.000 1.111 264 R CA 1.475 57.742 56.100 0.279 0.000 0.976 264 R CB -0.324 30.118 30.300 0.236 0.000 0.870 264 R HN 0.516 nan 8.270 nan 0.000 0.445 265 S N -2.692 112.940 115.700 -0.114 0.000 2.552 265 S HA 0.235 4.737 4.470 0.053 0.000 0.272 265 S C -0.405 173.870 174.600 -0.542 0.000 1.150 265 S CA -0.881 57.079 58.200 -0.400 0.000 0.849 265 S CB 0.252 63.359 63.200 -0.155 0.000 1.113 265 S HN 0.119 nan 8.310 nan 0.000 0.458 266 Y N 2.186 122.100 120.300 -0.643 0.000 2.403 266 Y HA 0.081 4.662 4.550 0.053 0.000 0.291 266 Y C 2.327 177.884 175.900 -0.572 0.000 1.143 266 Y CA 1.047 58.656 58.100 -0.819 0.000 1.257 266 Y CB -0.301 37.262 38.460 -1.494 0.000 0.984 266 Y HN 0.572 nan 8.280 nan 0.000 0.550 267 R N -0.540 119.833 120.500 -0.212 0.000 2.235 267 R HA -0.036 4.336 4.340 0.053 0.000 0.213 267 R C 1.063 177.319 176.300 -0.074 0.000 1.059 267 R CA 1.468 57.498 56.100 -0.117 0.000 0.997 267 R CB -0.375 29.849 30.300 -0.128 0.000 0.884 267 R HN 0.321 nan 8.270 nan 0.000 0.462 268 T N -1.927 112.601 114.554 -0.043 0.000 3.308 268 T HA 0.338 4.720 4.350 0.053 0.000 0.270 268 T C 0.187 174.927 174.700 0.067 0.000 0.992 268 T CA -0.685 61.419 62.100 0.006 0.000 0.931 268 T CB -0.076 68.783 68.868 -0.016 0.000 1.142 268 T HN 0.072 nan 8.240 nan 0.000 0.525 269 M N -0.976 118.707 119.600 0.137 0.000 2.644 269 M HA 0.728 5.240 4.480 0.053 0.000 0.304 269 M C -1.080 175.399 176.300 0.299 0.000 1.215 269 M CA -0.866 54.557 55.300 0.204 0.000 0.871 269 M CB 2.118 34.837 32.600 0.199 0.000 1.740 269 M HN -0.141 nan 8.290 nan 0.000 0.464 270 E N 0.617 120.984 120.200 0.279 0.000 2.349 270 E HA 0.597 4.979 4.350 0.053 0.000 0.262 270 E C -0.188 176.469 176.600 0.096 0.000 1.088 270 E CA -0.461 56.030 56.400 0.151 0.000 0.899 270 E CB 1.403 31.106 29.700 0.006 0.000 1.044 270 E HN 0.854 nan 8.360 nan 0.000 0.420 271 G N 0.848 109.540 108.800 -0.181 0.000 2.481 271 G HA2 0.627 4.619 3.960 0.053 0.000 0.315 271 G HA3 0.627 4.619 3.960 0.053 0.000 0.315 271 G C -1.417 173.024 174.900 -0.764 0.000 1.231 271 G CA -0.453 44.499 45.100 -0.247 0.000 0.968 271 G HN 0.279 nan 8.290 nan 0.000 0.482 272 F N -0.595 119.299 119.950 -0.094 0.000 2.601 272 F HA 0.510 5.069 4.527 0.053 0.000 0.309 272 F C 1.006 176.718 175.800 -0.146 0.000 1.089 272 F CA -0.606 57.260 58.000 -0.223 0.000 0.940 272 F CB 2.566 41.394 39.000 -0.287 0.000 1.273 272 F HN 0.592 nan 8.300 nan 0.000 0.450 273 G N -0.484 108.379 108.800 0.105 0.000 2.985 273 G HA2 0.217 4.209 3.960 0.053 0.000 0.209 273 G HA3 0.217 4.209 3.960 0.053 0.000 0.209 273 G C 0.672 175.666 174.900 0.157 0.000 1.165 273 G CA 0.625 45.842 45.100 0.194 0.000 0.776 273 G HN 0.998 nan 8.290 nan 0.000 0.541 274 C N -1.357 117.916 119.300 -0.044 0.000 5.885 274 C HA -0.161 4.331 4.460 0.053 0.000 0.328 274 C C 0.779 175.460 174.990 -0.515 0.000 2.430 274 C CA 0.781 59.589 59.018 -0.349 0.000 2.194 274 C CB -1.901 25.527 27.740 -0.520 0.000 3.233 274 C HN 0.603 nan 8.230 nan 0.000 0.263 275 H N 0.042 119.159 119.070 0.079 0.000 2.670 275 H HA 0.472 5.060 4.556 0.053 0.000 0.361 275 H C -0.194 175.115 175.328 -0.033 0.000 1.169 275 H CA 0.064 56.077 56.048 -0.059 0.000 1.198 275 H CB 0.803 30.396 29.762 -0.281 0.000 1.700 275 H HN 0.301 nan 8.280 nan 0.000 0.542 276 T N 2.844 117.400 114.554 0.003 0.000 2.799 276 T HA 0.184 4.566 4.350 0.053 0.000 0.296 276 T C 0.130 174.775 174.700 -0.091 0.000 0.947 276 T CA 0.308 62.394 62.100 -0.024 0.000 1.141 276 T CB -0.463 68.345 68.868 -0.100 0.000 0.891 276 T HN 0.197 nan 8.240 nan 0.000 0.533 277 F N 1.360 121.271 119.950 -0.064 0.000 2.611 277 F HA 0.650 5.209 4.527 0.053 0.000 0.374 277 F C 1.069 176.823 175.800 -0.077 0.000 1.110 277 F CA -1.360 56.623 58.000 -0.028 0.000 1.090 277 F CB 1.410 40.375 39.000 -0.059 0.000 1.388 277 F HN 0.199 nan 8.300 nan 0.000 0.501 278 R N 0.577 121.136 120.500 0.098 0.000 2.740 278 R HA 0.635 5.007 4.340 0.053 0.000 0.282 278 R C -1.569 174.622 176.300 -0.181 0.000 0.969 278 R CA -0.895 55.129 56.100 -0.126 0.000 0.918 278 R CB 1.928 32.089 30.300 -0.231 0.000 1.175 278 R HN 0.436 nan 8.270 nan 0.000 0.464 279 L N 3.374 124.441 121.223 -0.260 0.000 2.325 279 L HA 0.518 4.890 4.340 0.053 0.000 0.279 279 L C -0.424 176.289 176.870 -0.262 0.000 1.054 279 L CA -0.862 53.831 54.840 -0.246 0.000 0.804 279 L CB 1.175 43.094 42.059 -0.234 0.000 1.200 279 L HN 0.361 nan 8.230 nan 0.000 0.436 280 I N 2.744 123.182 120.570 -0.219 0.000 2.447 280 I HA 0.256 4.458 4.170 0.053 0.000 0.287 280 I C -0.260 175.765 176.117 -0.152 0.000 1.023 280 I CA -0.716 60.455 61.300 -0.215 0.000 1.083 280 I CB 1.373 39.253 38.000 -0.201 0.000 1.245 280 I HN 0.633 nan 8.210 nan 0.000 0.434 281 N N 4.988 123.610 118.700 -0.130 0.000 2.448 281 N HA 0.372 5.144 4.740 0.053 0.000 0.274 281 N C 0.911 176.377 175.510 -0.073 0.000 1.239 281 N CA -0.230 52.765 53.050 -0.092 0.000 0.982 281 N CB 0.609 39.050 38.487 -0.077 0.000 1.199 281 N HN 0.516 nan 8.380 nan 0.000 0.576 282 A N -0.515 122.272 122.820 -0.056 0.000 1.972 282 A HA -0.141 4.211 4.320 0.053 0.000 0.219 282 A C 1.499 179.060 177.584 -0.038 0.000 1.169 282 A CA 1.201 53.212 52.037 -0.044 0.000 0.635 282 A CB -0.627 18.353 19.000 -0.032 0.000 0.810 282 A HN 0.710 nan 8.150 nan 0.000 0.446 283 E N -1.239 118.939 120.200 -0.036 0.000 2.482 283 E HA 0.140 4.522 4.350 0.053 0.000 0.196 283 E C 1.302 177.890 176.600 -0.021 0.000 1.047 283 E CA 0.748 57.132 56.400 -0.027 0.000 0.869 283 E CB -0.342 29.343 29.700 -0.025 0.000 0.836 283 E HN 0.869 nan 8.360 nan 0.000 0.520 284 G N 1.858 110.641 108.800 -0.029 0.000 2.159 284 G HA2 -0.304 3.688 3.960 0.053 0.000 0.227 284 G HA3 -0.304 3.688 3.960 0.053 0.000 0.227 284 G C 0.300 175.205 174.900 0.008 0.000 0.986 284 G CA 0.278 45.378 45.100 0.001 0.000 0.651 284 G HN 0.285 nan 8.290 nan 0.000 0.523 285 K N 0.858 121.224 120.400 -0.056 0.000 2.322 285 K HA 0.672 5.024 4.320 0.053 0.000 0.283 285 K C 0.549 176.997 176.600 -0.253 0.000 1.042 285 K CA 0.232 56.455 56.287 -0.106 0.000 0.958 285 K CB 0.615 33.061 32.500 -0.090 0.000 0.984 285 K HN 0.593 nan 8.250 nan 0.000 0.473 286 A N 3.385 125.940 122.820 -0.442 0.000 2.305 286 A HA 0.473 4.825 4.320 0.053 0.000 0.322 286 A C -0.790 176.465 177.584 -0.549 0.000 1.187 286 A CA -0.535 51.085 52.037 -0.695 0.000 0.825 286 A CB 1.268 19.405 19.000 -1.437 0.000 1.164 286 A HN 0.729 nan 8.150 nan 0.000 0.498 287 T N 1.952 116.221 114.554 -0.476 0.000 2.876 287 T HA 0.557 4.939 4.350 0.053 0.000 0.289 287 T C -0.694 173.762 174.700 -0.407 0.000 1.014 287 T CA -0.101 61.766 62.100 -0.388 0.000 0.986 287 T CB 0.577 69.320 68.868 -0.209 0.000 1.021 287 T HN 0.340 nan 8.240 nan 0.000 0.458 288 F N 1.803 121.666 119.950 -0.144 0.000 2.429 288 F HA 0.548 5.107 4.527 0.053 0.000 0.348 288 F C 0.545 176.241 175.800 -0.174 0.000 1.109 288 F CA -0.484 57.429 58.000 -0.145 0.000 1.232 288 F CB 0.720 39.658 39.000 -0.104 0.000 1.157 288 F HN 0.180 nan 8.300 nan 0.000 0.564 289 V N 4.581 124.466 119.914 -0.048 0.000 2.760 289 V HA 0.597 4.749 4.120 0.053 0.000 0.309 289 V C -0.961 174.920 176.094 -0.355 0.000 1.077 289 V CA -0.747 61.380 62.300 -0.289 0.000 0.910 289 V CB 2.035 33.466 31.823 -0.654 0.000 1.008 289 V HN 0.783 nan 8.190 nan 0.000 0.424 290 R N 4.705 125.045 120.500 -0.266 0.000 2.562 290 R HA 0.561 4.933 4.340 0.053 0.000 0.298 290 R C -1.570 174.646 176.300 -0.140 0.000 0.961 290 R CA -0.496 55.469 56.100 -0.224 0.000 0.881 290 R CB 1.959 32.257 30.300 -0.004 0.000 1.159 290 R HN 0.600 nan 8.270 nan 0.000 0.450 291 F N 2.275 122.263 119.950 0.064 0.000 2.384 291 F HA 0.333 4.892 4.527 0.054 0.000 0.338 291 F C 0.970 176.709 175.800 -0.102 0.000 1.103 291 F CA -0.017 57.986 58.000 0.006 0.000 1.157 291 F CB 0.774 39.667 39.000 -0.179 0.000 1.167 291 F HN 0.205 nan 8.300 nan 0.000 0.529 292 H N 1.014 120.102 119.070 0.029 0.000 2.768 292 H HA 0.242 4.830 4.556 0.054 0.000 0.371 292 H C -1.518 173.607 175.328 -0.339 0.000 1.151 292 H CA -0.960 55.005 56.048 -0.139 0.000 1.165 292 H CB 1.890 31.652 29.762 0.001 0.000 1.722 292 H HN 0.678 nan 8.280 nan 0.000 0.543 293 W N 2.373 123.557 121.300 -0.193 0.000 2.532 293 W HA 0.320 5.012 4.660 0.054 0.000 0.321 293 W C -0.079 176.465 176.519 0.041 0.000 1.037 293 W CA -0.773 56.511 57.345 -0.102 0.000 1.220 293 W CB 1.772 30.980 29.460 -0.420 0.000 1.361 293 W HN 0.288 nan 8.180 nan 0.000 0.468 294 K N 5.646 126.315 120.400 0.449 0.000 2.213 294 K HA 0.405 4.757 4.320 0.053 0.000 0.270 294 K C -2.423 174.401 176.600 0.372 0.000 1.002 294 K CA -1.892 54.593 56.287 0.329 0.000 0.868 294 K CB 1.372 34.022 32.500 0.250 0.000 1.093 294 K HN 0.027 nan 8.250 nan 0.000 0.454 295 P HA 0.054 nan 4.420 nan 0.000 0.282 295 P C 0.247 177.543 177.300 -0.006 0.000 1.262 295 P CA -0.112 63.038 63.100 0.084 0.000 0.773 295 P CB 0.830 32.598 31.700 0.114 0.000 0.879 296 L N 2.507 123.664 121.223 -0.109 0.000 2.395 296 L HA -0.015 4.357 4.340 0.053 0.000 0.218 296 L C 2.164 179.010 176.870 -0.040 0.000 1.130 296 L CA 0.902 55.725 54.840 -0.029 0.000 0.826 296 L CB -0.548 41.502 42.059 -0.014 0.000 0.941 296 L HN 0.350 nan 8.230 nan 0.000 0.451 297 A N 0.206 122.972 122.820 -0.089 0.000 2.235 297 A HA 0.356 4.708 4.320 0.053 0.000 0.208 297 A C 1.281 178.858 177.584 -0.011 0.000 1.172 297 A CA 0.769 52.773 52.037 -0.054 0.000 0.786 297 A CB -0.505 18.443 19.000 -0.086 0.000 0.804 297 A HN 0.468 nan 8.150 nan 0.000 0.479 298 G N -0.847 107.959 108.800 0.011 0.000 2.756 298 G HA2 -0.129 3.863 3.960 0.053 0.000 0.678 298 G HA3 -0.129 3.863 3.960 0.053 0.000 0.678 298 G C -0.644 174.282 174.900 0.044 0.000 1.349 298 G CA -0.382 44.744 45.100 0.044 0.000 0.847 298 G HN 0.476 nan 8.290 nan 0.000 0.548 299 K N 0.125 120.557 120.400 0.054 0.000 2.183 299 K HA 0.742 5.094 4.320 0.053 0.000 0.274 299 K C 0.200 176.794 176.600 -0.010 0.000 1.009 299 K CA 0.189 56.491 56.287 0.027 0.000 0.888 299 K CB 1.815 34.318 32.500 0.005 0.000 1.078 299 K HN 1.531 nan 8.250 nan 0.000 0.459 300 A N 1.654 124.456 122.820 -0.031 0.000 2.555 300 A HA 0.576 4.928 4.320 0.053 0.000 0.297 300 A C -1.205 176.420 177.584 0.068 0.000 1.060 300 A CA -0.675 51.295 52.037 -0.112 0.000 0.710 300 A CB 1.707 20.454 19.000 -0.420 0.000 1.282 300 A HN 0.494 nan 8.150 nan 0.000 0.399 301 S N 0.612 116.516 115.700 0.340 0.000 2.599 301 S HA 0.747 5.249 4.470 0.053 0.000 0.287 301 S C -0.086 174.829 174.600 0.525 0.000 1.105 301 S CA -0.614 57.823 58.200 0.395 0.000 0.899 301 S CB 1.208 64.633 63.200 0.376 0.000 1.100 301 S HN 0.660 nan 8.310 nan 0.000 0.482 302 L N 1.447 122.876 121.223 0.342 0.000 2.482 302 L HA 0.487 4.859 4.340 0.053 0.000 0.242 302 L C 0.175 177.178 176.870 0.221 0.000 1.210 302 L CA -0.717 54.252 54.840 0.215 0.000 0.819 302 L CB 0.108 42.200 42.059 0.055 0.000 1.203 302 L HN 0.489 nan 8.230 nan 0.000 0.495 303 V N -2.884 117.064 119.914 0.057 0.000 2.732 303 V HA 0.166 4.318 4.120 0.053 0.000 0.310 303 V C 0.667 176.711 176.094 -0.083 0.000 1.053 303 V CA -0.762 61.538 62.300 -0.001 0.000 0.957 303 V CB 1.594 33.396 31.823 -0.035 0.000 1.018 303 V HN 0.939 nan 8.190 nan 0.000 0.452 304 W N 2.010 123.180 121.300 -0.217 0.000 2.335 304 W HA -0.197 4.495 4.660 0.053 0.000 0.311 304 W C 1.774 178.136 176.519 -0.262 0.000 1.213 304 W CA 2.429 59.636 57.345 -0.230 0.000 1.274 304 W CB -0.078 29.224 29.460 -0.264 0.000 1.148 304 W HN 1.001 nan 8.180 nan 0.000 0.498 305 D N 0.291 120.435 120.400 -0.426 0.000 2.149 305 D HA -0.291 4.380 4.640 0.053 0.000 0.198 305 D C 2.131 178.083 176.300 -0.579 0.000 0.990 305 D CA 2.107 55.816 54.000 -0.484 0.000 0.839 305 D CB -0.450 40.304 40.800 -0.076 0.000 0.948 305 D HN 0.362 nan 8.370 nan 0.000 0.460 306 E N -0.431 119.296 120.200 -0.788 0.000 2.047 306 E HA -0.188 4.194 4.350 0.053 0.000 0.191 306 E C 2.044 178.300 176.600 -0.573 0.000 0.987 306 E CA 0.997 56.863 56.400 -0.889 0.000 0.799 306 E CB -0.227 28.848 29.700 -1.042 0.000 0.752 306 E HN 0.311 nan 8.360 nan 0.000 0.449 307 A N 1.180 123.689 122.820 -0.518 0.000 1.908 307 A HA -0.264 4.088 4.320 0.053 0.000 0.218 307 A C 2.168 179.418 177.584 -0.557 0.000 1.181 307 A CA 1.839 53.617 52.037 -0.432 0.000 0.627 307 A CB -0.663 18.183 19.000 -0.256 0.000 0.818 307 A HN 0.441 nan 8.150 nan 0.000 0.445 308 Q N -0.621 118.651 119.800 -0.881 0.000 2.083 308 Q HA -0.151 4.221 4.340 0.053 0.000 0.198 308 Q C 2.170 177.893 176.000 -0.462 0.000 0.969 308 Q CA 1.647 56.944 55.803 -0.842 0.000 0.838 308 Q CB -0.138 27.822 28.738 -1.296 0.000 0.900 308 Q HN 0.659 nan 8.270 nan 0.000 0.436 309 K N 0.086 120.239 120.400 -0.413 0.000 2.148 309 K HA -0.141 4.211 4.320 0.053 0.000 0.204 309 K C 2.081 178.538 176.600 -0.239 0.000 1.050 309 K CA 0.648 56.782 56.287 -0.255 0.000 0.942 309 K CB -0.016 32.376 32.500 -0.181 0.000 0.724 309 K HN 0.167 nan 8.250 nan 0.000 0.446 310 L N 1.341 122.378 121.223 -0.311 0.000 2.141 310 L HA -0.146 4.226 4.340 0.053 0.000 0.209 310 L C 2.229 178.960 176.870 -0.232 0.000 1.094 310 L CA 2.197 56.852 54.840 -0.308 0.000 0.763 310 L CB -0.951 40.835 42.059 -0.455 0.000 0.908 310 L HN 0.316 nan 8.230 nan 0.000 0.437 311 T N -3.936 110.485 114.554 -0.222 0.000 2.803 311 T HA -0.125 4.257 4.350 0.053 0.000 0.269 311 T C 1.901 176.535 174.700 -0.110 0.000 1.052 311 T CA 1.124 63.135 62.100 -0.147 0.000 1.136 311 T CB -1.225 67.566 68.868 -0.128 0.000 0.864 311 T HN 0.398 nan 8.240 nan 0.000 0.467 312 G N 1.415 110.143 108.800 -0.119 0.000 2.404 312 G HA2 -0.067 3.925 3.960 0.053 0.000 0.213 312 G HA3 -0.067 3.925 3.960 0.053 0.000 0.213 312 G C 1.917 176.772 174.900 -0.074 0.000 1.189 312 G CA -0.052 44.996 45.100 -0.087 0.000 0.796 312 G HN 0.336 nan 8.290 nan 0.000 0.532 313 R N 0.351 120.798 120.500 -0.088 0.000 2.092 313 R HA 0.019 4.391 4.340 0.053 0.000 0.231 313 R C -0.079 176.195 176.300 -0.042 0.000 1.119 313 R CA 0.942 57.004 56.100 -0.063 0.000 0.970 313 R CB -0.316 29.939 30.300 -0.075 0.000 0.864 313 R HN 0.364 nan 8.270 nan 0.000 0.440 314 D N -0.575 119.795 120.400 -0.050 0.000 2.337 314 D HA 0.142 4.814 4.640 0.053 0.000 0.238 314 D C -2.150 174.149 176.300 -0.001 0.000 1.331 314 D CA -1.807 52.195 54.000 0.003 0.000 0.967 314 D CB 1.427 42.279 40.800 0.087 0.000 1.382 314 D HN -0.144 nan 8.370 nan 0.000 0.549 315 P HA 0.022 nan 4.420 nan 0.000 0.230 315 P C 0.075 177.377 177.300 0.004 0.000 1.158 315 P CA 0.567 63.652 63.100 -0.025 0.000 0.769 315 P CB 0.526 32.209 31.700 -0.028 0.000 0.807 316 D N -1.480 118.934 120.400 0.024 0.000 2.388 316 D HA 0.072 4.744 4.640 0.053 0.000 0.221 316 D C 1.229 177.565 176.300 0.060 0.000 1.133 316 D CA -0.396 53.623 54.000 0.032 0.000 0.831 316 D CB -0.481 40.316 40.800 -0.005 0.000 0.962 316 D HN 0.125 nan 8.370 nan 0.000 0.502 317 F N 1.287 121.177 119.950 -0.100 0.000 2.095 317 F HA -0.226 4.333 4.527 0.053 0.000 0.298 317 F C 2.080 177.854 175.800 -0.043 0.000 1.104 317 F CA 1.848 59.788 58.000 -0.099 0.000 1.232 317 F CB 0.036 38.926 39.000 -0.184 0.000 0.987 317 F HN 0.097 nan 8.300 nan 0.000 0.475 318 H N -1.143 117.845 119.070 -0.136 0.000 2.395 318 H HA -0.091 4.497 4.556 0.053 0.000 0.299 318 H C 2.352 177.570 175.328 -0.183 0.000 1.070 318 H CA 0.888 56.698 56.048 -0.395 0.000 1.356 318 H CB -0.106 29.227 29.762 -0.714 0.000 1.401 318 H HN 0.198 nan 8.280 nan 0.000 0.524 319 R N 1.278 121.866 120.500 0.147 0.000 2.081 319 R HA -0.122 4.250 4.340 0.053 0.000 0.235 319 R C 2.442 178.843 176.300 0.169 0.000 1.131 319 R CA 1.276 57.523 56.100 0.244 0.000 0.960 319 R CB -0.013 30.415 30.300 0.214 0.000 0.856 319 R HN 0.195 nan 8.270 nan 0.000 0.436 320 R N 0.303 120.821 120.500 0.029 0.000 2.075 320 R HA -0.131 4.241 4.340 0.053 0.000 0.232 320 R C 2.128 178.421 176.300 -0.013 0.000 1.126 320 R CA 1.592 57.689 56.100 -0.004 0.000 0.963 320 R CB -0.202 30.058 30.300 -0.067 0.000 0.858 320 R HN 0.262 nan 8.270 nan 0.000 0.435 321 E N 0.682 120.765 120.200 -0.195 0.000 2.077 321 E HA -0.203 4.179 4.350 0.053 0.000 0.193 321 E C 2.022 178.592 176.600 -0.050 0.000 0.989 321 E CA 1.080 57.336 56.400 -0.240 0.000 0.800 321 E CB -0.090 29.305 29.700 -0.507 0.000 0.746 321 E HN 0.246 nan 8.360 nan 0.000 0.452 322 L N 0.969 122.207 121.223 0.025 0.000 1.989 322 L HA -0.183 4.189 4.340 0.053 0.000 0.211 322 L C 2.244 179.228 176.870 0.190 0.000 1.071 322 L CA 1.948 56.861 54.840 0.122 0.000 0.749 322 L CB -0.961 41.238 42.059 0.234 0.000 0.890 322 L HN 0.339 nan 8.230 nan 0.000 0.431 323 W N 0.763 122.102 121.300 0.065 0.000 2.358 323 W HA -0.194 4.498 4.660 0.054 0.000 0.303 323 W C 2.248 178.798 176.519 0.052 0.000 1.208 323 W CA 2.066 59.460 57.345 0.083 0.000 1.274 323 W CB -0.104 29.408 29.460 0.088 0.000 1.138 323 W HN 0.362 nan 8.180 nan 0.000 0.515 324 E N 0.003 120.390 120.200 0.313 0.000 2.107 324 E HA -0.133 4.249 4.350 0.053 0.000 0.191 324 E C 2.373 179.005 176.600 0.053 0.000 0.982 324 E CA 1.074 57.572 56.400 0.163 0.000 0.809 324 E CB -0.364 29.379 29.700 0.072 0.000 0.756 324 E HN 0.167 nan 8.360 nan 0.000 0.459 325 A N 1.351 124.197 122.820 0.044 0.000 1.908 325 A HA -0.202 4.150 4.320 0.053 0.000 0.218 325 A C 2.167 179.767 177.584 0.026 0.000 1.181 325 A CA 1.193 53.244 52.037 0.025 0.000 0.627 325 A CB -0.614 18.402 19.000 0.027 0.000 0.818 325 A HN 0.148 nan 8.150 nan 0.000 0.445 326 I N -0.551 120.062 120.570 0.073 0.000 2.226 326 I HA -0.243 3.959 4.170 0.053 0.000 0.245 326 I C 2.467 178.651 176.117 0.111 0.000 1.100 326 I CA 1.509 62.902 61.300 0.155 0.000 1.374 326 I CB -0.381 37.655 38.000 0.060 0.000 1.057 326 I HN 0.425 nan 8.210 nan 0.000 0.413 327 E N 0.718 120.938 120.200 0.033 0.000 2.204 327 E HA -0.149 4.233 4.350 0.053 0.000 0.194 327 E C 2.182 178.794 176.600 0.020 0.000 0.989 327 E CA 1.081 57.511 56.400 0.050 0.000 0.824 327 E CB -0.062 29.701 29.700 0.105 0.000 0.756 327 E HN 0.498 nan 8.360 nan 0.000 0.477 328 A N 0.175 122.979 122.820 -0.028 0.000 2.167 328 A HA 0.168 4.520 4.320 0.053 0.000 0.214 328 A C 1.814 179.307 177.584 -0.151 0.000 1.151 328 A CA 1.013 53.009 52.037 -0.068 0.000 0.735 328 A CB -0.183 18.769 19.000 -0.080 0.000 0.802 328 A HN 0.341 nan 8.150 nan 0.000 0.467 329 G N -0.518 108.080 108.800 -0.336 0.000 2.157 329 G HA2 -0.201 3.791 3.960 0.053 0.000 0.248 329 G HA3 -0.201 3.791 3.960 0.053 0.000 0.248 329 G C -0.177 174.188 174.900 -0.891 0.000 0.979 329 G CA 0.255 44.817 45.100 -0.896 0.000 0.650 329 G HN 0.441 nan 8.290 nan 0.000 0.529 330 D N 0.966 121.114 120.400 -0.420 0.000 2.934 330 D HA 0.260 4.932 4.640 0.053 0.000 0.237 330 D C 0.775 176.994 176.300 -0.136 0.000 1.158 330 D CA -0.088 53.780 54.000 -0.219 0.000 0.971 330 D CB -0.727 40.052 40.800 -0.035 0.000 1.123 330 D HN 0.439 nan 8.370 nan 0.000 0.467 331 F N 1.291 121.249 119.950 0.013 0.000 2.578 331 F HA 0.096 4.654 4.527 0.053 0.000 0.381 331 F C -1.342 174.440 175.800 -0.029 0.000 1.069 331 F CA -1.971 56.031 58.000 0.003 0.000 1.231 331 F CB -0.069 38.943 39.000 0.020 0.000 1.086 331 F HN -0.098 nan 8.300 nan 0.000 0.564 332 P HA -0.024 nan 4.420 nan 0.000 0.261 332 P C -0.984 176.291 177.300 -0.043 0.000 1.183 332 P CA 0.547 63.659 63.100 0.021 0.000 0.761 332 P CB 0.386 32.199 31.700 0.188 0.000 0.785 333 E N 2.373 122.391 120.200 -0.305 0.000 2.238 333 E HA 0.492 4.874 4.350 0.053 0.000 0.267 333 E C -1.037 175.271 176.600 -0.486 0.000 0.887 333 E CA -0.585 55.692 56.400 -0.206 0.000 0.769 333 E CB 1.546 31.213 29.700 -0.056 0.000 1.187 333 E HN 0.376 nan 8.360 nan 0.000 0.416 334 Y N 0.206 120.580 120.300 0.124 0.000 2.504 334 Y HA 0.226 4.808 4.550 0.053 0.000 0.344 334 Y C -0.366 175.778 175.900 0.406 0.000 1.023 334 Y CA -0.953 57.298 58.100 0.251 0.000 1.020 334 Y CB 2.070 40.637 38.460 0.178 0.000 1.282 334 Y HN 0.460 nan 8.280 nan 0.000 0.454 335 E N 2.755 123.296 120.200 0.569 0.000 2.146 335 E HA 0.360 4.742 4.350 0.053 0.000 0.282 335 E C -1.365 175.531 176.600 0.494 0.000 0.989 335 E CA -0.946 55.743 56.400 0.482 0.000 0.799 335 E CB 0.948 30.859 29.700 0.351 0.000 1.088 335 E HN 0.582 nan 8.360 nan 0.000 0.397 336 L N 4.417 125.859 121.223 0.366 0.000 2.455 336 L HA 0.400 4.772 4.340 0.053 0.000 0.272 336 L C 0.029 176.834 176.870 -0.108 0.000 1.174 336 L CA 0.830 55.564 54.840 -0.177 0.000 0.869 336 L CB 0.840 42.727 42.059 -0.286 0.000 1.130 336 L HN 0.591 nan 8.230 nan 0.000 0.474 337 G N 4.522 113.270 108.800 -0.086 0.000 2.612 337 G HA2 0.557 4.549 3.960 0.053 0.000 0.298 337 G HA3 0.557 4.549 3.960 0.053 0.000 0.298 337 G C -1.567 173.470 174.900 0.228 0.000 1.336 337 G CA -0.544 44.539 45.100 -0.028 0.000 0.953 337 G HN 0.453 nan 8.290 nan 0.000 0.482 338 F N 0.313 120.288 119.950 0.041 0.000 2.482 338 F HA 0.383 4.942 4.527 0.053 0.000 0.331 338 F C 0.453 176.252 175.800 -0.002 0.000 1.115 338 F CA -0.973 57.053 58.000 0.044 0.000 0.955 338 F CB 2.449 41.461 39.000 0.019 0.000 1.136 338 F HN 0.135 nan 8.300 nan 0.000 0.452 339 Q N 4.223 124.143 119.800 0.200 0.000 2.274 339 Q HA 0.510 4.882 4.340 0.053 0.000 0.256 339 Q C -1.026 175.026 176.000 0.085 0.000 0.927 339 Q CA -0.446 55.419 55.803 0.103 0.000 0.939 339 Q CB 2.193 30.993 28.738 0.103 0.000 1.201 339 Q HN 0.547 nan 8.270 nan 0.000 0.426 340 L N 4.159 125.437 121.223 0.092 0.000 2.333 340 L HA 0.562 4.934 4.340 0.053 0.000 0.280 340 L C -0.952 175.977 176.870 0.100 0.000 1.004 340 L CA -0.835 54.050 54.840 0.075 0.000 0.820 340 L CB 1.342 43.451 42.059 0.084 0.000 1.247 340 L HN 0.517 nan 8.230 nan 0.000 0.416 341 I N 4.422 125.067 120.570 0.126 0.000 2.447 341 I HA 0.418 4.620 4.170 0.053 0.000 0.287 341 I C -2.339 173.886 176.117 0.181 0.000 1.023 341 I CA -1.820 59.600 61.300 0.200 0.000 1.083 341 I CB 1.754 39.920 38.000 0.276 0.000 1.245 341 I HN 0.285 nan 8.210 nan 0.000 0.434 342 P HA 0.048 nan 4.420 nan 0.000 0.269 342 P C 0.775 178.119 177.300 0.072 0.000 1.215 342 P CA -0.192 62.927 63.100 0.033 0.000 0.780 342 P CB 0.799 32.513 31.700 0.024 0.000 0.898 343 E N 2.146 122.289 120.200 -0.096 0.000 2.130 343 E HA -0.269 4.113 4.350 0.053 0.000 0.196 343 E C 1.339 178.015 176.600 0.126 0.000 0.998 343 E CA 1.193 57.551 56.400 -0.070 0.000 0.806 343 E CB 0.014 29.595 29.700 -0.199 0.000 0.738 343 E HN 0.481 nan 8.360 nan 0.000 0.459 344 E N 0.049 120.291 120.200 0.071 0.000 2.482 344 E HA -0.148 4.234 4.350 0.053 0.000 0.196 344 E C 0.366 177.010 176.600 0.073 0.000 1.047 344 E CA 0.691 57.138 56.400 0.079 0.000 0.869 344 E CB 0.100 29.829 29.700 0.048 0.000 0.836 344 E HN 0.231 nan 8.360 nan 0.000 0.520 345 D N 1.277 121.720 120.400 0.071 0.000 2.368 345 D HA 0.008 4.680 4.640 0.053 0.000 0.218 345 D C 1.327 177.603 176.300 -0.041 0.000 1.112 345 D CA 0.006 54.007 54.000 0.002 0.000 0.834 345 D CB 0.218 41.026 40.800 0.014 0.000 0.953 345 D HN 0.380 nan 8.370 nan 0.000 0.505 346 E N -0.197 119.961 120.200 -0.069 0.000 2.114 346 E HA -0.209 4.173 4.350 0.053 0.000 0.199 346 E C 0.414 176.648 176.600 -0.610 0.000 1.008 346 E CA 1.205 57.336 56.400 -0.448 0.000 0.810 346 E CB 0.017 29.280 29.700 -0.728 0.000 0.739 346 E HN 0.271 nan 8.360 nan 0.000 0.456 347 F N -0.506 119.414 119.950 -0.050 0.000 2.647 347 F HA 0.287 4.846 4.527 0.053 0.000 0.300 347 F C 1.238 176.927 175.800 -0.185 0.000 1.106 347 F CA -0.324 57.623 58.000 -0.087 0.000 1.313 347 F CB 0.593 39.563 39.000 -0.050 0.000 1.007 347 F HN -0.192 nan 8.300 nan 0.000 0.536 348 K N 0.164 120.414 120.400 -0.250 0.000 2.525 348 K HA 0.095 4.447 4.320 0.053 0.000 0.192 348 K C -0.254 175.912 176.600 -0.724 0.000 1.029 348 K CA 0.474 56.460 56.287 -0.502 0.000 1.029 348 K CB 0.120 32.255 32.500 -0.610 0.000 0.814 348 K HN 0.175 nan 8.250 nan 0.000 0.503 349 F N -0.347 119.452 119.950 -0.251 0.000 2.557 349 F HA 0.156 4.715 4.527 0.054 0.000 0.336 349 F C 1.216 176.830 175.800 -0.310 0.000 1.058 349 F CA -1.076 56.679 58.000 -0.408 0.000 0.988 349 F CB 0.817 39.197 39.000 -1.033 0.000 1.275 349 F HN -0.229 nan 8.300 nan 0.000 0.488 350 D N 0.381 120.798 120.400 0.028 0.000 2.350 350 D HA -0.026 4.646 4.640 0.053 0.000 0.216 350 D C -0.316 176.094 176.300 0.183 0.000 0.968 350 D CA 1.175 55.259 54.000 0.140 0.000 0.894 350 D CB -0.214 40.758 40.800 0.287 0.000 0.909 350 D HN 0.273 nan 8.370 nan 0.000 0.520 351 F N -1.659 118.379 119.950 0.147 0.000 2.640 351 F HA 0.474 5.033 4.527 0.053 0.000 0.324 351 F C -0.254 175.547 175.800 0.000 0.000 1.077 351 F CA -1.590 56.424 58.000 0.022 0.000 0.965 351 F CB 0.873 39.849 39.000 -0.041 0.000 1.351 351 F HN -0.418 nan 8.300 nan 0.000 0.487 352 D N 1.431 121.870 120.400 0.064 0.000 2.225 352 D HA 0.245 4.917 4.640 0.053 0.000 0.248 352 D C 0.988 177.251 176.300 -0.062 0.000 1.096 352 D CA -0.152 53.822 54.000 -0.044 0.000 0.863 352 D CB 1.604 42.366 40.800 -0.064 0.000 1.156 352 D HN 0.737 nan 8.370 nan 0.000 0.450 353 L N 3.326 124.453 121.223 -0.159 0.000 2.261 353 L HA -0.134 4.238 4.340 0.053 0.000 0.216 353 L C 1.954 178.712 176.870 -0.186 0.000 1.114 353 L CA 0.729 55.457 54.840 -0.186 0.000 0.777 353 L CB -0.115 41.697 42.059 -0.412 0.000 0.910 353 L HN 0.443 nan 8.230 nan 0.000 0.440 354 L N -0.887 120.241 121.223 -0.159 0.000 2.592 354 L HA 0.072 4.444 4.340 0.053 0.000 0.227 354 L C 0.402 177.208 176.870 -0.107 0.000 1.127 354 L CA -0.135 54.676 54.840 -0.048 0.000 0.884 354 L CB -0.193 41.954 42.059 0.146 0.000 1.065 354 L HN 0.092 nan 8.230 nan 0.000 0.457 355 D N 1.798 121.906 120.400 -0.487 0.000 2.380 355 D HA 0.122 4.794 4.640 0.053 0.000 0.230 355 D C -1.602 174.480 176.300 -0.362 0.000 1.154 355 D CA -2.293 51.177 54.000 -0.884 0.000 0.859 355 D CB 1.504 41.522 40.800 -1.304 0.000 1.045 355 D HN -0.059 nan 8.370 nan 0.000 0.495 356 P HA -0.038 nan 4.420 nan 0.000 0.242 356 P C 0.850 178.054 177.300 -0.159 0.000 1.197 356 P CA 0.537 63.565 63.100 -0.119 0.000 0.765 356 P CB -0.070 31.644 31.700 0.024 0.000 0.936 357 T N -4.334 110.120 114.554 -0.168 0.000 3.129 357 T HA 0.144 4.526 4.350 0.053 0.000 0.251 357 T C 0.734 175.342 174.700 -0.154 0.000 1.117 357 T CA -0.027 61.984 62.100 -0.150 0.000 1.034 357 T CB -0.197 68.630 68.868 -0.068 0.000 0.968 357 T HN -0.146 nan 8.240 nan 0.000 0.526 358 K N 1.958 122.174 120.400 -0.306 0.000 2.270 358 K HA 0.590 4.942 4.320 0.053 0.000 0.255 358 K C -0.412 175.993 176.600 -0.326 0.000 0.936 358 K CA -0.916 55.046 56.287 -0.542 0.000 0.809 358 K CB 2.171 34.247 32.500 -0.706 0.000 1.131 358 K HN 0.294 nan 8.250 nan 0.000 0.427 359 L N -0.381 120.775 121.223 -0.111 0.000 2.358 359 L HA 0.669 5.040 4.340 0.053 0.000 0.268 359 L C -0.080 176.595 176.870 -0.325 0.000 1.032 359 L CA -0.512 54.234 54.840 -0.157 0.000 0.805 359 L CB 0.416 42.464 42.059 -0.019 0.000 1.253 359 L HN 0.447 nan 8.230 nan 0.000 0.452 360 I N 1.531 122.005 120.570 -0.160 0.000 2.307 360 I HA 0.381 4.583 4.170 0.053 0.000 0.289 360 I C -2.137 173.973 176.117 -0.011 0.000 1.021 360 I CA -1.659 59.589 61.300 -0.086 0.000 1.224 360 I CB 1.197 39.177 38.000 -0.033 0.000 1.376 360 I HN 0.446 nan 8.210 nan 0.000 0.470 361 P HA 0.064 nan 4.420 nan 0.000 0.268 361 P C 0.324 177.669 177.300 0.075 0.000 1.204 361 P CA -0.022 63.103 63.100 0.042 0.000 0.768 361 P CB 0.690 32.408 31.700 0.030 0.000 0.842 362 E N 1.573 121.830 120.200 0.096 0.000 2.268 362 E HA -0.185 4.197 4.350 0.053 0.000 0.195 362 E C 1.405 178.048 176.600 0.071 0.000 0.995 362 E CA 0.700 57.147 56.400 0.079 0.000 0.836 362 E CB 0.013 29.766 29.700 0.087 0.000 0.763 362 E HN 0.484 nan 8.360 nan 0.000 0.491 363 E N 0.419 120.664 120.200 0.074 0.000 2.160 363 E HA -0.166 4.216 4.350 0.053 0.000 0.195 363 E C 1.997 178.652 176.600 0.093 0.000 0.991 363 E CA 0.862 57.305 56.400 0.072 0.000 0.810 363 E CB 0.038 29.776 29.700 0.063 0.000 0.742 363 E HN 0.360 nan 8.360 nan 0.000 0.466 364 L N -0.676 120.618 121.223 0.118 0.000 2.253 364 L HA 0.056 4.428 4.340 0.053 0.000 0.205 364 L C 0.544 177.520 176.870 0.177 0.000 1.078 364 L CA 0.328 55.275 54.840 0.180 0.000 0.805 364 L CB 0.506 42.726 42.059 0.269 0.000 0.963 364 L HN -0.216 nan 8.230 nan 0.000 0.459 365 V N 1.445 121.430 119.914 0.119 0.000 2.462 365 V HA 0.315 4.467 4.120 0.053 0.000 0.288 365 V C -2.364 173.766 176.094 0.060 0.000 1.020 365 V CA -1.425 60.937 62.300 0.104 0.000 0.857 365 V CB 1.594 33.466 31.823 0.083 0.000 1.013 365 V HN -0.053 nan 8.190 nan 0.000 0.431 366 P HA 0.192 nan 4.420 nan 0.000 0.272 366 P C -0.330 176.965 177.300 -0.009 0.000 1.230 366 P CA -0.034 63.080 63.100 0.023 0.000 0.788 366 P CB 1.199 32.918 31.700 0.032 0.000 0.949 367 V N 2.722 122.597 119.914 -0.065 0.000 2.455 367 V HA 0.108 4.260 4.120 0.053 0.000 0.273 367 V C 0.834 176.913 176.094 -0.024 0.000 1.045 367 V CA 0.015 62.246 62.300 -0.115 0.000 0.976 367 V CB 0.259 31.929 31.823 -0.256 0.000 0.993 367 V HN 0.550 nan 8.190 nan 0.000 0.475 368 Q N 6.171 125.978 119.800 0.011 0.000 2.274 368 Q HA 0.368 4.740 4.340 0.053 0.000 0.256 368 Q C 0.322 176.311 176.000 -0.018 0.000 0.927 368 Q CA -0.808 55.004 55.803 0.015 0.000 0.939 368 Q CB 0.842 29.603 28.738 0.040 0.000 1.201 368 Q HN 0.824 nan 8.270 nan 0.000 0.426 369 R N 1.928 122.443 120.500 0.024 0.000 2.643 369 R HA 0.132 4.504 4.340 0.053 0.000 0.270 369 R C -0.480 175.838 176.300 0.030 0.000 1.061 369 R CA -0.368 55.784 56.100 0.087 0.000 1.107 369 R CB 0.698 31.128 30.300 0.216 0.000 0.999 369 R HN 0.499 nan 8.270 nan 0.000 0.460 370 V N 0.921 120.786 119.914 -0.082 0.000 3.159 370 V HA 0.334 4.486 4.120 0.053 0.000 0.234 370 V C 0.742 176.615 176.094 -0.368 0.000 1.313 370 V CA 0.998 63.128 62.300 -0.283 0.000 1.271 370 V CB 0.882 32.249 31.823 -0.760 0.000 1.053 370 V HN 1.074 nan 8.190 nan 0.000 0.476 371 G N -0.247 108.223 108.800 -0.550 0.000 2.441 371 G HA2 0.491 4.483 3.960 0.053 0.000 0.294 371 G HA3 0.491 4.483 3.960 0.053 0.000 0.294 371 G C -1.901 172.645 174.900 -0.590 0.000 1.393 371 G CA -0.548 43.914 45.100 -1.064 0.000 0.796 371 G HN 0.054 nan 8.290 nan 0.000 0.494 372 K N -0.336 119.707 120.400 -0.595 0.000 2.324 372 K HA 0.738 5.090 4.320 0.053 0.000 0.253 372 K C -0.752 175.874 176.600 0.043 0.000 0.932 372 K CA -0.783 55.471 56.287 -0.055 0.000 0.799 372 K CB 1.958 34.469 32.500 0.019 0.000 1.154 372 K HN 0.576 nan 8.250 nan 0.000 0.425 373 M N 4.731 124.508 119.600 0.294 0.000 2.243 373 M HA 0.400 4.912 4.480 0.053 0.000 0.324 373 M C -1.759 174.528 176.300 -0.022 0.000 1.031 373 M CA -0.761 54.650 55.300 0.185 0.000 0.949 373 M CB 1.624 34.366 32.600 0.237 0.000 1.615 373 M HN 0.345 nan 8.290 nan 0.000 0.430 374 V N 6.252 125.979 119.914 -0.311 0.000 2.540 374 V HA 0.478 4.630 4.120 0.053 0.000 0.302 374 V C -0.568 175.398 176.094 -0.213 0.000 1.035 374 V CA -0.725 61.416 62.300 -0.264 0.000 0.873 374 V CB 1.879 33.425 31.823 -0.462 0.000 0.992 374 V HN 0.809 nan 8.190 nan 0.000 0.428 375 L N 5.352 126.540 121.223 -0.058 0.000 2.265 375 L HA 0.522 4.894 4.340 0.053 0.000 0.289 375 L C 0.322 177.127 176.870 -0.109 0.000 1.033 375 L CA -0.328 54.481 54.840 -0.052 0.000 0.814 375 L CB 1.277 43.351 42.059 0.025 0.000 1.203 375 L HN 0.883 nan 8.230 nan 0.000 0.423 376 N N 1.961 120.515 118.700 -0.242 0.000 2.184 376 N HA 0.130 4.902 4.740 0.053 0.000 0.234 376 N C -0.043 175.317 175.510 -0.250 0.000 1.282 376 N CA -0.386 52.301 53.050 -0.605 0.000 0.877 376 N CB 0.770 38.582 38.487 -1.124 0.000 1.184 376 N HN 0.393 nan 8.380 nan 0.000 0.510 377 R N 0.605 121.051 120.500 -0.090 0.000 2.515 377 R HA 0.318 4.690 4.340 0.053 0.000 0.278 377 R C -1.131 175.125 176.300 -0.074 0.000 1.107 377 R CA -0.492 55.568 56.100 -0.067 0.000 0.945 377 R CB 1.473 31.739 30.300 -0.055 0.000 1.219 377 R HN 0.110 nan 8.270 nan 0.000 0.434 378 N N 3.128 121.660 118.700 -0.280 0.000 2.444 378 N HA 0.251 5.023 4.740 0.053 0.000 0.255 378 N C -2.162 173.271 175.510 -0.129 0.000 1.255 378 N CA -1.085 51.651 53.050 -0.524 0.000 0.933 378 N CB 0.390 37.942 38.487 -1.559 0.000 1.143 378 N HN 0.261 nan 8.380 nan 0.000 0.453 379 P HA 0.106 nan 4.420 nan 0.000 0.273 379 P C 0.104 177.578 177.300 0.289 0.000 1.250 379 P CA -0.104 63.173 63.100 0.294 0.000 0.793 379 P CB 1.003 32.927 31.700 0.373 0.000 1.011 380 D N -1.029 119.519 120.400 0.247 0.000 2.197 380 D HA -0.025 4.647 4.640 0.053 0.000 0.212 380 D C 0.475 176.951 176.300 0.292 0.000 0.963 380 D CA 1.359 55.505 54.000 0.244 0.000 0.864 380 D CB 0.140 41.024 40.800 0.140 0.000 1.009 380 D HN 0.393 nan 8.370 nan 0.000 0.479 381 N N -0.125 118.737 118.700 0.271 0.000 2.491 381 N HA 0.013 4.785 4.740 0.053 0.000 0.274 381 N C 0.115 175.837 175.510 0.353 0.000 1.023 381 N CA -0.319 52.909 53.050 0.297 0.000 0.902 381 N CB 1.470 40.098 38.487 0.235 0.000 1.267 381 N HN -0.150 nan 8.380 nan 0.000 0.503 382 F N 4.316 124.424 119.950 0.263 0.000 2.091 382 F HA -0.212 4.345 4.527 0.051 0.000 0.299 382 F C 1.620 177.563 175.800 0.237 0.000 1.103 382 F CA 1.590 59.748 58.000 0.265 0.000 1.228 382 F CB -0.079 39.051 39.000 0.218 0.000 0.984 382 F HN 0.600 nan 8.300 nan 0.000 0.477 383 F N 0.720 120.922 119.950 0.420 0.000 2.102 383 F HA -0.113 4.455 4.527 0.068 0.000 0.298 383 F C 2.304 178.169 175.800 0.108 0.000 1.105 383 F CA 1.684 59.847 58.000 0.271 0.000 1.239 383 F CB -0.884 38.244 39.000 0.215 0.000 0.991 383 F HN -0.013 nan 8.300 nan 0.000 0.474 384 A N -0.217 122.751 122.820 0.246 0.000 1.930 384 A HA -0.152 4.200 4.320 0.053 0.000 0.217 384 A C 2.078 179.600 177.584 -0.104 0.000 1.175 384 A CA 1.954 54.036 52.037 0.076 0.000 0.627 384 A CB -0.672 18.428 19.000 0.167 0.000 0.815 384 A HN 0.585 nan 8.150 nan 0.000 0.443 385 E N -1.162 118.990 120.200 -0.080 0.000 2.099 385 E HA -0.074 4.308 4.350 0.053 0.000 0.191 385 E C 1.970 178.476 176.600 -0.158 0.000 0.962 385 E CA 0.541 56.826 56.400 -0.192 0.000 0.826 385 E CB -0.137 29.503 29.700 -0.101 0.000 0.788 385 E HN 0.571 nan 8.360 nan 0.000 0.461 386 N N 1.336 119.935 118.700 -0.168 0.000 2.176 386 N HA -0.161 4.611 4.740 0.053 0.000 0.187 386 N C 1.840 177.183 175.510 -0.278 0.000 1.043 386 N CA 1.359 54.247 53.050 -0.269 0.000 0.851 386 N CB 0.006 37.934 38.487 -0.932 0.000 1.018 386 N HN -0.077 nan 8.380 nan 0.000 0.436 387 E N 0.831 120.810 120.200 -0.369 0.000 2.118 387 E HA -0.103 4.279 4.350 0.053 0.000 0.195 387 E C 1.698 178.126 176.600 -0.287 0.000 0.992 387 E CA 1.462 57.722 56.400 -0.234 0.000 0.804 387 E CB -0.165 29.391 29.700 -0.240 0.000 0.741 387 E HN 0.494 nan 8.360 nan 0.000 0.458 388 Q N -0.457 119.105 119.800 -0.397 0.000 2.425 388 Q HA 0.243 4.615 4.340 0.053 0.000 0.204 388 Q C 0.004 175.889 176.000 -0.191 0.000 0.933 388 Q CA 0.231 55.839 55.803 -0.324 0.000 0.939 388 Q CB 0.436 28.961 28.738 -0.354 0.000 1.044 388 Q HN 0.219 nan 8.270 nan 0.000 0.513 389 A N 1.063 123.794 122.820 -0.148 0.000 2.462 389 A HA 0.468 4.820 4.320 0.053 0.000 0.243 389 A C -0.197 177.282 177.584 -0.176 0.000 1.076 389 A CA 0.162 52.090 52.037 -0.182 0.000 0.773 389 A CB 0.268 19.237 19.000 -0.051 0.000 1.010 389 A HN 0.261 nan 8.150 nan 0.000 0.493 390 A N 2.305 124.962 122.820 -0.273 0.000 2.311 390 A HA 0.711 5.063 4.320 0.053 0.000 0.306 390 A C -0.831 176.632 177.584 -0.203 0.000 1.189 390 A CA -0.402 51.549 52.037 -0.142 0.000 0.791 390 A CB 0.339 19.268 19.000 -0.118 0.000 1.172 390 A HN 0.646 nan 8.150 nan 0.000 0.481 391 F N 1.058 121.026 119.950 0.031 0.000 2.480 391 F HA 0.648 5.206 4.527 0.052 0.000 0.329 391 F C 0.286 176.083 175.800 -0.005 0.000 1.091 391 F CA -0.081 57.915 58.000 -0.007 0.000 0.972 391 F CB 2.082 41.020 39.000 -0.104 0.000 1.150 391 F HN 0.757 nan 8.300 nan 0.000 0.467 392 H N 3.485 122.442 119.070 -0.189 0.000 3.099 392 H HA 0.282 4.870 4.556 0.054 0.000 0.342 392 H C -2.451 172.503 175.328 -0.623 0.000 1.054 392 H CA -1.814 53.875 56.048 -0.598 0.000 1.328 392 H CB 2.679 32.023 29.762 -0.698 0.000 1.876 392 H HN 0.183 nan 8.280 nan 0.000 0.495 393 P HA -0.035 nan 4.420 nan 0.000 0.225 393 P C 1.229 178.378 177.300 -0.251 0.000 1.148 393 P CA 1.403 64.169 63.100 -0.557 0.000 0.779 393 P CB 0.082 31.490 31.700 -0.486 0.000 0.780 394 G N -0.895 107.532 108.800 -0.620 0.000 2.509 394 G HA2 -0.179 3.813 3.960 0.053 0.000 0.218 394 G HA3 -0.179 3.813 3.960 0.053 0.000 0.218 394 G C 0.495 175.604 174.900 0.348 0.000 1.124 394 G CA 0.053 45.192 45.100 0.066 0.000 0.776 394 G HN 0.442 nan 8.290 nan 0.000 0.547 395 H N 0.689 119.880 119.070 0.201 0.000 3.216 395 H HA 0.338 4.926 4.556 0.053 0.000 0.263 395 H C 0.553 175.999 175.328 0.197 0.000 1.601 395 H CA -0.761 55.377 56.048 0.149 0.000 1.509 395 H CB -0.181 29.632 29.762 0.084 0.000 1.759 395 H HN 0.397 nan 8.280 nan 0.000 0.533 396 I N -0.460 120.250 120.570 0.233 0.000 3.237 396 I HA 0.693 4.895 4.170 0.053 0.000 0.308 396 I C -0.207 175.899 176.117 -0.019 0.000 1.093 396 I CA -1.426 59.929 61.300 0.091 0.000 1.001 396 I CB 1.918 39.862 38.000 -0.093 0.000 1.245 396 I HN 0.108 nan 8.210 nan 0.000 0.485 397 V N -2.167 117.709 119.914 -0.064 0.000 3.102 397 V HA 0.690 4.842 4.120 0.053 0.000 0.312 397 V C -2.850 173.329 176.094 0.141 0.000 1.135 397 V CA -2.509 59.814 62.300 0.038 0.000 1.022 397 V CB 1.043 32.873 31.823 0.012 0.000 1.056 397 V HN 0.642 nan 8.190 nan 0.000 0.436 398 P HA 0.352 nan 4.420 nan 0.000 0.265 398 P C 0.959 178.255 177.300 -0.007 0.000 1.187 398 P CA 2.046 65.218 63.100 0.119 0.000 0.766 398 P CB 0.709 32.457 31.700 0.080 0.000 0.820 399 G N 1.265 110.014 108.800 -0.084 0.000 2.232 399 G HA2 -0.177 3.815 3.960 0.053 0.000 0.226 399 G HA3 -0.177 3.815 3.960 0.053 0.000 0.226 399 G C -0.198 174.612 174.900 -0.151 0.000 0.996 399 G CA -0.325 44.705 45.100 -0.117 0.000 0.626 399 G HN 0.452 nan 8.290 nan 0.000 0.509 400 L N 0.005 121.147 121.223 -0.134 0.000 2.303 400 L HA 0.922 5.294 4.340 0.053 0.000 0.266 400 L C -0.419 176.387 176.870 -0.107 0.000 1.011 400 L CA -1.047 53.694 54.840 -0.164 0.000 0.818 400 L CB 2.018 43.904 42.059 -0.288 0.000 1.326 400 L HN 0.123 nan 8.230 nan 0.000 0.435 401 D N -0.754 119.572 120.400 -0.124 0.000 2.671 401 D HA 0.427 5.099 4.640 0.053 0.000 0.273 401 D C -1.192 175.027 176.300 -0.134 0.000 1.264 401 D CA -0.387 53.492 54.000 -0.201 0.000 0.788 401 D CB 1.753 42.510 40.800 -0.071 0.000 1.324 401 D HN 0.125 nan 8.370 nan 0.000 0.424 402 F N -0.172 119.893 119.950 0.191 0.000 2.291 402 F HA 0.521 5.080 4.527 0.053 0.000 0.305 402 F C 1.552 177.356 175.800 0.007 0.000 1.171 402 F CA -0.137 57.888 58.000 0.041 0.000 1.090 402 F CB 1.080 40.090 39.000 0.017 0.000 1.436 402 F HN 0.248 nan 8.300 nan 0.000 0.509 403 T N -3.283 111.356 114.554 0.142 0.000 2.716 403 T HA 0.296 4.678 4.350 0.053 0.000 0.286 403 T C -0.146 174.589 174.700 0.059 0.000 1.052 403 T CA -0.992 61.184 62.100 0.127 0.000 1.024 403 T CB 1.119 70.039 68.868 0.087 0.000 1.349 403 T HN 0.326 nan 8.240 nan 0.000 0.525 404 N N 1.259 120.000 118.700 0.068 0.000 2.370 404 N HA 0.074 4.846 4.740 0.053 0.000 0.198 404 N C -0.026 175.499 175.510 0.025 0.000 1.156 404 N CA 0.039 53.113 53.050 0.040 0.000 0.839 404 N CB -0.407 38.120 38.487 0.067 0.000 0.989 404 N HN 0.672 nan 8.380 nan 0.000 0.468 405 D N 2.152 122.552 120.400 0.000 0.000 2.570 405 D HA -0.076 4.596 4.640 0.053 0.000 0.243 405 D C -1.490 174.814 176.300 0.006 0.000 1.171 405 D CA -0.849 53.175 54.000 0.040 0.000 0.879 405 D CB 1.278 42.060 40.800 -0.030 0.000 1.143 405 D HN 0.155 nan 8.370 nan 0.000 0.511 406 P HA -0.045 nan 4.420 nan 0.000 0.245 406 P C 1.431 178.749 177.300 0.031 0.000 1.206 406 P CA -0.026 63.092 63.100 0.030 0.000 0.781 406 P CB 0.449 32.157 31.700 0.014 0.000 0.994 407 L N -0.157 121.105 121.223 0.065 0.000 2.102 407 L HA 0.027 4.399 4.340 0.053 0.000 0.202 407 L C 2.312 179.103 176.870 -0.132 0.000 1.076 407 L CA 1.198 56.065 54.840 0.045 0.000 0.761 407 L CB -1.509 40.657 42.059 0.178 0.000 0.921 407 L HN -0.174 nan 8.230 nan 0.000 0.444 408 L N -0.446 120.547 121.223 -0.383 0.000 2.043 408 L HA -0.250 4.122 4.340 0.053 0.000 0.212 408 L C 2.458 179.079 176.870 -0.415 0.000 1.075 408 L CA 1.840 56.242 54.840 -0.729 0.000 0.752 408 L CB -0.902 40.525 42.059 -1.054 0.000 0.891 408 L HN 0.384 nan 8.230 nan 0.000 0.432 409 Q N -0.295 119.338 119.800 -0.279 0.000 2.096 409 Q HA -0.160 4.212 4.340 0.053 0.000 0.204 409 Q C 2.076 177.996 176.000 -0.134 0.000 0.982 409 Q CA 1.806 57.485 55.803 -0.207 0.000 0.850 409 Q CB -0.699 27.968 28.738 -0.117 0.000 0.901 409 Q HN 0.714 nan 8.270 nan 0.000 0.422 410 G N 0.214 108.964 108.800 -0.083 0.000 2.494 410 G HA2 -0.171 3.821 3.960 0.053 0.000 0.216 410 G HA3 -0.171 3.821 3.960 0.053 0.000 0.216 410 G C 1.487 176.403 174.900 0.026 0.000 1.140 410 G CA 0.008 45.105 45.100 -0.004 0.000 0.801 410 G HN 0.236 nan 8.290 nan 0.000 0.536 411 R N -0.042 120.422 120.500 -0.061 0.000 2.117 411 R HA -0.011 4.361 4.340 0.053 0.000 0.243 411 R C 2.443 178.832 176.300 0.149 0.000 1.143 411 R CA 0.954 57.078 56.100 0.041 0.000 0.968 411 R CB -0.472 29.814 30.300 -0.024 0.000 0.863 411 R HN 0.337 nan 8.270 nan 0.000 0.444 412 L N -0.477 120.727 121.223 -0.032 0.000 2.127 412 L HA -0.197 4.175 4.340 0.053 0.000 0.211 412 L C 2.260 179.270 176.870 0.234 0.000 1.089 412 L CA 1.047 55.888 54.840 0.002 0.000 0.757 412 L CB -0.434 41.477 42.059 -0.247 0.000 0.899 412 L HN 0.159 nan 8.230 nan 0.000 0.434 413 F N 0.118 120.104 119.950 0.061 0.000 2.128 413 F HA -0.199 4.361 4.527 0.054 0.000 0.295 413 F C 2.806 178.641 175.800 0.058 0.000 1.100 413 F CA 1.655 59.682 58.000 0.045 0.000 1.260 413 F CB -0.252 38.755 39.000 0.011 0.000 1.009 413 F HN -0.066 nan 8.300 nan 0.000 0.476 414 S N -0.775 114.940 115.700 0.024 0.000 2.355 414 S HA -0.223 4.279 4.470 0.053 0.000 0.222 414 S C 2.037 176.505 174.600 -0.220 0.000 1.031 414 S CA 1.520 59.618 58.200 -0.171 0.000 0.993 414 S CB -0.770 62.340 63.200 -0.149 0.000 0.859 414 S HN 0.540 nan 8.310 nan 0.000 0.453 415 Y N 1.388 121.673 120.300 -0.025 0.000 2.439 415 Y HA -0.012 4.570 4.550 0.054 0.000 0.292 415 Y C 2.818 178.351 175.900 -0.612 0.000 1.130 415 Y CA 1.135 59.221 58.100 -0.023 0.000 1.254 415 Y CB -0.458 38.919 38.460 1.527 0.000 1.000 415 Y HN 0.278 nan 8.280 nan 0.000 0.554 416 T N -0.692 113.450 114.554 -0.687 0.000 2.770 416 T HA -0.174 4.208 4.350 0.053 0.000 0.258 416 T C 1.426 175.909 174.700 -0.361 0.000 1.039 416 T CA 1.496 63.319 62.100 -0.461 0.000 1.143 416 T CB -0.448 68.228 68.868 -0.321 0.000 0.866 416 T HN 0.310 nan 8.240 nan 0.000 0.428 417 D N 0.824 120.948 120.400 -0.461 0.000 2.126 417 D HA -0.160 4.512 4.640 0.053 0.000 0.190 417 D C 2.246 178.376 176.300 -0.284 0.000 1.001 417 D CA 1.880 55.623 54.000 -0.429 0.000 0.841 417 D CB -0.557 39.775 40.800 -0.779 0.000 0.949 417 D HN 0.267 nan 8.370 nan 0.000 0.446 418 T N -1.092 113.289 114.554 -0.289 0.000 2.881 418 T HA -0.148 4.234 4.350 0.053 0.000 0.270 418 T C 1.652 176.216 174.700 -0.226 0.000 1.068 418 T CA 1.272 63.245 62.100 -0.212 0.000 1.131 418 T CB -0.226 68.520 68.868 -0.204 0.000 0.871 418 T HN 0.165 nan 8.240 nan 0.000 0.479 419 Q N 0.674 120.261 119.800 -0.355 0.000 2.226 419 Q HA -0.011 4.361 4.340 0.053 0.000 0.204 419 Q C 2.262 178.124 176.000 -0.230 0.000 0.975 419 Q CA 0.772 56.301 55.803 -0.456 0.000 0.866 419 Q CB -0.465 27.559 28.738 -1.190 0.000 0.915 419 Q HN 0.511 nan 8.270 nan 0.000 0.440 420 I N 1.080 121.570 120.570 -0.133 0.000 2.286 420 I HA -0.205 3.997 4.170 0.053 0.000 0.248 420 I C 2.331 178.437 176.117 -0.019 0.000 1.115 420 I CA 1.682 62.970 61.300 -0.020 0.000 1.392 420 I CB -1.303 36.694 38.000 -0.006 0.000 1.065 420 I HN 0.205 nan 8.210 nan 0.000 0.418 421 S N 0.355 116.030 115.700 -0.041 0.000 2.387 421 S HA -0.069 4.433 4.470 0.053 0.000 0.221 421 S C 2.180 176.764 174.600 -0.027 0.000 1.041 421 S CA 0.163 58.352 58.200 -0.020 0.000 0.959 421 S CB -0.373 62.820 63.200 -0.013 0.000 0.843 421 S HN 0.285 nan 8.310 nan 0.000 0.488 422 R N 0.931 121.395 120.500 -0.059 0.000 2.083 422 R HA 0.117 4.489 4.340 0.053 0.000 0.237 422 R C 1.354 177.625 176.300 -0.048 0.000 1.137 422 R CA 1.595 57.662 56.100 -0.056 0.000 0.951 422 R CB -0.284 29.961 30.300 -0.092 0.000 0.851 422 R HN 0.453 nan 8.270 nan 0.000 0.434 423 L N -0.788 120.392 121.223 -0.071 0.000 2.910 423 L HA 0.314 4.686 4.340 0.053 0.000 0.252 423 L C 0.773 177.652 176.870 0.015 0.000 1.195 423 L CA 0.294 55.113 54.840 -0.036 0.000 1.003 423 L CB 1.181 43.205 42.059 -0.058 0.000 1.328 423 L HN 0.617 nan 8.230 nan 0.000 0.540 424 G N -0.127 108.682 108.800 0.015 0.000 2.179 424 G HA2 -0.125 3.867 3.960 0.053 0.000 0.260 424 G HA3 -0.125 3.867 3.960 0.053 0.000 0.260 424 G C 0.464 175.400 174.900 0.060 0.000 0.977 424 G CA 0.026 45.146 45.100 0.033 0.000 0.641 424 G HN 0.793 nan 8.290 nan 0.000 0.533 425 G N -1.501 107.354 108.800 0.092 0.000 2.352 425 G HA2 0.562 4.554 3.960 0.053 0.000 0.283 425 G HA3 0.562 4.554 3.960 0.053 0.000 0.283 425 G C -2.269 172.762 174.900 0.218 0.000 1.308 425 G CA 0.417 45.589 45.100 0.120 0.000 0.892 425 G HN 0.507 nan 8.290 nan 0.000 0.504 426 P HA 0.165 nan 4.420 nan 0.000 0.255 426 P C 0.287 177.616 177.300 0.049 0.000 1.248 426 P CA 0.290 63.498 63.100 0.180 0.000 0.807 426 P CB 0.233 31.994 31.700 0.102 0.000 1.150 427 N N 0.461 119.188 118.700 0.044 0.000 2.327 427 N HA 0.058 4.830 4.740 0.053 0.000 0.231 427 N C 1.076 176.454 175.510 -0.220 0.000 1.130 427 N CA -0.176 52.800 53.050 -0.124 0.000 0.845 427 N CB -0.663 37.781 38.487 -0.072 0.000 1.073 427 N HN 0.258 nan 8.380 nan 0.000 0.496 428 F N 0.911 120.834 119.950 -0.045 0.000 2.333 428 F HA -0.115 4.443 4.527 0.052 0.000 0.300 428 F C 2.202 177.934 175.800 -0.114 0.000 1.083 428 F CA 0.907 58.859 58.000 -0.079 0.000 1.395 428 F CB -0.765 38.208 39.000 -0.045 0.000 1.056 428 F HN 0.183 nan 8.300 nan 0.000 0.529 429 H N 0.382 119.089 119.070 -0.605 0.000 2.559 429 H HA 0.072 4.661 4.556 0.054 0.000 0.273 429 H C 0.844 176.022 175.328 -0.250 0.000 1.000 429 H CA 1.277 57.068 56.048 -0.428 0.000 1.195 429 H CB -0.765 28.603 29.762 -0.656 0.000 1.368 429 H HN 0.541 nan 8.280 nan 0.000 0.592 430 E N 0.924 120.692 120.200 -0.721 0.000 2.474 430 E HA 0.178 4.560 4.350 0.053 0.000 0.194 430 E C 0.351 176.842 176.600 -0.181 0.000 1.041 430 E CA -0.285 55.870 56.400 -0.409 0.000 0.874 430 E CB 0.532 30.010 29.700 -0.371 0.000 0.914 430 E HN 0.433 nan 8.360 nan 0.000 0.498 431 I N 2.437 122.919 120.570 -0.147 0.000 2.648 431 I HA -0.051 4.151 4.170 0.053 0.000 0.284 431 I C -1.561 174.502 176.117 -0.091 0.000 1.153 431 I CA -1.378 59.866 61.300 -0.093 0.000 1.426 431 I CB 0.636 38.593 38.000 -0.072 0.000 1.381 431 I HN -0.202 nan 8.210 nan 0.000 0.571 432 P HA -0.191 nan 4.420 nan 0.000 0.215 432 P C 1.726 178.960 177.300 -0.110 0.000 1.153 432 P CA 1.097 64.146 63.100 -0.084 0.000 0.853 432 P CB 0.189 31.845 31.700 -0.072 0.000 0.788 433 I N -0.454 120.023 120.570 -0.154 0.000 2.454 433 I HA -0.189 4.013 4.170 0.053 0.000 0.254 433 I C 1.290 177.341 176.117 -0.110 0.000 1.156 433 I CA 1.661 62.825 61.300 -0.227 0.000 1.433 433 I CB -0.629 37.124 38.000 -0.411 0.000 1.082 433 I HN -0.105 nan 8.210 nan 0.000 0.432 434 N N 0.718 119.365 118.700 -0.088 0.000 2.467 434 N HA 0.021 4.793 4.740 0.053 0.000 0.184 434 N C 0.314 175.828 175.510 0.007 0.000 1.106 434 N CA 0.215 53.237 53.050 -0.047 0.000 0.892 434 N CB -0.152 38.323 38.487 -0.020 0.000 0.969 434 N HN 0.374 nan 8.380 nan 0.000 0.454 435 R N 1.780 122.289 120.500 0.014 0.000 2.489 435 R HA 0.134 4.506 4.340 0.053 0.000 0.287 435 R C -2.190 174.175 176.300 0.109 0.000 1.053 435 R CA -1.193 54.920 56.100 0.021 0.000 1.036 435 R CB -0.015 30.285 30.300 0.000 0.000 0.966 435 R HN 0.040 nan 8.270 nan 0.000 0.432 436 P HA -0.043 nan 4.420 nan 0.000 0.269 436 P C 0.647 178.028 177.300 0.134 0.000 1.209 436 P CA 0.058 63.235 63.100 0.128 0.000 0.776 436 P CB 0.678 32.406 31.700 0.048 0.000 0.876 437 T N -1.132 113.521 114.554 0.165 0.000 3.014 437 T HA 0.143 4.525 4.350 0.053 0.000 0.263 437 T C 0.991 175.745 174.700 0.090 0.000 1.078 437 T CA 0.292 62.444 62.100 0.086 0.000 1.135 437 T CB -0.469 68.439 68.868 0.067 0.000 0.895 437 T HN 0.490 nan 8.240 nan 0.000 0.480 438 A N 3.078 125.964 122.820 0.110 0.000 2.448 438 A HA 0.499 4.851 4.320 0.053 0.000 0.239 438 A C -2.095 175.552 177.584 0.104 0.000 1.080 438 A CA -1.180 50.918 52.037 0.101 0.000 0.779 438 A CB -0.525 18.535 19.000 0.099 0.000 1.026 438 A HN 0.307 nan 8.150 nan 0.000 0.499 439 P HA 0.317 nan 4.420 nan 0.000 0.269 439 P C -1.046 176.336 177.300 0.136 0.000 1.209 439 P CA 0.635 63.808 63.100 0.122 0.000 0.776 439 P CB 0.148 31.959 31.700 0.185 0.000 0.876 440 Y N 0.702 120.905 120.300 -0.162 0.000 2.396 440 Y HA 0.646 5.228 4.550 0.053 0.000 0.332 440 Y C -1.521 174.058 175.900 -0.536 0.000 1.034 440 Y CA -0.889 57.087 58.100 -0.205 0.000 1.057 440 Y CB 1.323 39.678 38.460 -0.176 0.000 1.220 440 Y HN 0.438 nan 8.280 nan 0.000 0.440 441 H N 3.864 122.806 119.070 -0.213 0.000 2.947 441 H HA 0.561 5.149 4.556 0.054 0.000 0.354 441 H C -1.186 174.013 175.328 -0.216 0.000 1.085 441 H CA -0.740 55.110 56.048 -0.329 0.000 1.253 441 H CB 1.718 31.333 29.762 -0.244 0.000 1.757 441 H HN 0.898 nan 8.280 nan 0.000 0.523 442 N N 0.443 119.017 118.700 -0.210 0.000 3.387 442 N HA 0.153 4.925 4.740 0.053 0.000 0.294 442 N C -1.334 173.938 175.510 -0.396 0.000 1.519 442 N CA -0.931 51.959 53.050 -0.267 0.000 0.875 442 N CB 0.564 39.054 38.487 0.006 0.000 1.657 442 N HN 0.313 nan 8.380 nan 0.000 0.527 443 F N -0.304 119.685 119.950 0.065 0.000 2.639 443 F HA 0.364 4.923 4.527 0.053 0.000 0.300 443 F C 0.498 176.339 175.800 0.068 0.000 1.109 443 F CA -0.372 57.662 58.000 0.057 0.000 1.335 443 F CB 0.213 39.241 39.000 0.047 0.000 1.014 443 F HN 0.141 nan 8.300 nan 0.000 0.537 444 Q N 1.440 121.349 119.800 0.180 0.000 2.340 444 Q HA 0.462 4.834 4.340 0.053 0.000 0.249 444 Q C 0.051 176.127 176.000 0.126 0.000 0.957 444 Q CA -0.170 55.718 55.803 0.142 0.000 0.882 444 Q CB 1.138 29.936 28.738 0.099 0.000 1.235 444 Q HN 0.124 nan 8.270 nan 0.000 0.439 445 R N 1.599 122.167 120.500 0.113 0.000 2.774 445 R HA 0.344 4.716 4.340 0.053 0.000 0.272 445 R C -0.766 175.582 176.300 0.080 0.000 1.000 445 R CA -0.631 55.527 56.100 0.097 0.000 0.906 445 R CB 1.354 31.713 30.300 0.099 0.000 1.227 445 R HN 0.733 nan 8.270 nan 0.000 0.468 446 D N -0.148 120.292 120.400 0.066 0.000 3.496 446 D HA -0.166 4.506 4.640 0.053 0.000 0.238 446 D C 0.361 176.695 176.300 0.056 0.000 1.707 446 D CA 1.941 55.973 54.000 0.053 0.000 1.150 446 D CB -1.054 39.776 40.800 0.050 0.000 0.759 446 D HN 0.922 nan 8.370 nan 0.000 0.936 447 G N -1.343 107.489 108.800 0.052 0.000 2.690 447 G HA2 0.226 4.218 3.960 0.053 0.000 0.686 447 G HA3 0.226 4.218 3.960 0.053 0.000 0.686 447 G C -0.343 174.591 174.900 0.057 0.000 1.277 447 G CA 0.044 45.178 45.100 0.058 0.000 0.799 447 G HN 0.804 nan 8.290 nan 0.000 0.613 448 M N 1.192 120.832 119.600 0.067 0.000 2.249 448 M HA 0.512 5.024 4.480 0.053 0.000 0.340 448 M C 1.071 177.449 176.300 0.130 0.000 1.166 448 M CA 1.190 56.539 55.300 0.080 0.000 1.115 448 M CB -0.468 32.180 32.600 0.079 0.000 1.606 448 M HN 1.687 nan 8.290 nan 0.000 0.448 449 H N 0.968 120.044 119.070 0.009 0.000 2.692 449 H HA -0.192 4.395 4.556 0.051 0.000 0.316 449 H C -0.660 174.661 175.328 -0.011 0.000 1.176 449 H CA 0.713 56.762 56.048 0.002 0.000 1.142 449 H CB -0.670 29.096 29.762 0.007 0.000 1.475 449 H HN 0.673 nan 8.280 nan 0.000 0.423 450 R N 1.210 121.724 120.500 0.024 0.000 2.458 450 R HA 0.008 4.380 4.340 0.053 0.000 0.303 450 R C 0.949 177.236 176.300 -0.022 0.000 1.013 450 R CA 0.316 56.423 56.100 0.011 0.000 1.026 450 R CB 0.235 30.542 30.300 0.011 0.000 0.948 450 R HN 0.421 nan 8.270 nan 0.000 0.417 451 M N 2.756 122.358 119.600 0.003 0.000 2.412 451 M HA 0.213 4.725 4.480 0.053 0.000 0.263 451 M C 0.971 177.264 176.300 -0.011 0.000 1.122 451 M CA 1.126 56.423 55.300 -0.005 0.000 1.179 451 M CB -0.910 31.698 32.600 0.014 0.000 1.335 451 M HN 0.704 nan 8.290 nan 0.000 0.465 452 G N 1.803 110.605 108.800 0.002 0.000 2.365 452 G HA2 0.398 4.390 3.960 0.053 0.000 0.249 452 G HA3 0.398 4.390 3.960 0.053 0.000 0.249 452 G C -0.385 174.508 174.900 -0.010 0.000 1.288 452 G CA -0.374 44.722 45.100 -0.006 0.000 0.887 452 G HN 0.320 nan 8.290 nan 0.000 0.524 453 I N 2.806 123.363 120.570 -0.021 0.000 2.307 453 I HA 0.100 4.302 4.170 0.053 0.000 0.287 453 I C -0.271 175.834 176.117 -0.019 0.000 1.054 453 I CA -0.531 60.759 61.300 -0.015 0.000 1.218 453 I CB 0.933 38.923 38.000 -0.017 0.000 1.398 453 I HN 0.361 nan 8.210 nan 0.000 0.475 454 D N 4.932 125.326 120.400 -0.010 0.000 2.348 454 D HA 0.057 4.729 4.640 0.053 0.000 0.253 454 D C 1.199 177.500 176.300 0.001 0.000 1.161 454 D CA 0.261 54.254 54.000 -0.012 0.000 0.876 454 D CB 1.753 42.553 40.800 0.000 0.000 1.160 454 D HN 0.565 nan 8.370 nan 0.000 0.459 455 T N -0.819 113.732 114.554 -0.005 0.000 3.040 455 T HA -0.062 4.320 4.350 0.053 0.000 0.250 455 T C 0.863 175.572 174.700 0.014 0.000 1.058 455 T CA -0.545 61.557 62.100 0.003 0.000 0.988 455 T CB 0.166 69.029 68.868 -0.009 0.000 0.993 455 T HN 0.120 nan 8.240 nan 0.000 0.519 456 N N 3.454 122.164 118.700 0.016 0.000 2.365 456 N HA 0.067 4.839 4.740 0.053 0.000 0.265 456 N C -1.722 173.829 175.510 0.068 0.000 1.288 456 N CA -1.390 51.684 53.050 0.040 0.000 0.869 456 N CB 1.371 39.883 38.487 0.041 0.000 1.071 456 N HN 0.084 nan 8.380 nan 0.000 0.480 457 P HA -0.020 nan 4.420 nan 0.000 0.221 457 P C -0.613 176.749 177.300 0.105 0.000 1.145 457 P CA 0.902 64.049 63.100 0.078 0.000 0.795 457 P CB 0.250 31.991 31.700 0.069 0.000 0.775 458 A N 0.646 123.521 122.820 0.091 0.000 2.324 458 A HA 0.421 4.772 4.320 0.053 0.000 0.330 458 A C 0.400 178.094 177.584 0.182 0.000 1.165 458 A CA -0.699 51.348 52.037 0.018 0.000 0.813 458 A CB 0.188 19.015 19.000 -0.287 0.000 1.197 458 A HN 0.246 nan 8.150 nan 0.000 0.484 459 N N 0.306 119.150 118.700 0.240 0.000 2.338 459 N HA 0.375 5.147 4.740 0.053 0.000 0.251 459 N C -0.905 174.765 175.510 0.267 0.000 1.199 459 N CA -0.336 52.933 53.050 0.365 0.000 0.879 459 N CB 0.283 38.937 38.487 0.278 0.000 1.159 459 N HN 0.687 nan 8.380 nan 0.000 0.514 460 Y N -1.289 118.865 120.300 -0.245 0.000 2.624 460 Y HA 0.634 5.215 4.550 0.053 0.000 0.334 460 Y C -1.499 173.796 175.900 -1.008 0.000 1.155 460 Y CA -1.413 56.373 58.100 -0.523 0.000 1.046 460 Y CB 0.934 39.258 38.460 -0.227 0.000 1.316 460 Y HN 0.067 nan 8.280 nan 0.000 0.457 461 E N 0.893 120.597 120.200 -0.827 0.000 2.367 461 E HA 0.691 5.073 4.350 0.053 0.000 0.273 461 E C -3.138 173.360 176.600 -0.170 0.000 0.903 461 E CA -2.038 54.004 56.400 -0.596 0.000 0.764 461 E CB 1.598 30.884 29.700 -0.691 0.000 1.252 461 E HN 0.556 nan 8.360 nan 0.000 0.446 462 P HA 0.289 nan 4.420 nan 0.000 0.275 462 P C -1.275 175.976 177.300 -0.082 0.000 1.228 462 P CA -0.446 62.586 63.100 -0.115 0.000 0.786 462 P CB 0.431 32.099 31.700 -0.053 0.000 0.927 463 N N -1.669 116.911 118.700 -0.199 0.000 2.242 463 N HA 0.334 5.106 4.740 0.053 0.000 0.292 463 N C 0.256 175.718 175.510 -0.079 0.000 1.125 463 N CA -0.766 52.181 53.050 -0.173 0.000 0.783 463 N CB 1.449 39.537 38.487 -0.665 0.000 1.558 463 N HN 0.191 nan 8.380 nan 0.000 0.472 464 S N 0.755 116.458 115.700 0.006 0.000 2.492 464 S HA -0.004 4.498 4.470 0.053 0.000 0.218 464 S C 1.469 176.083 174.600 0.022 0.000 1.016 464 S CA 0.071 58.275 58.200 0.007 0.000 0.916 464 S CB -0.777 62.438 63.200 0.026 0.000 0.791 464 S HN 0.712 nan 8.310 nan 0.000 0.513 465 I N -1.016 119.575 120.570 0.035 0.000 2.928 465 I HA 0.297 4.499 4.170 0.053 0.000 0.266 465 I C 1.255 177.404 176.117 0.054 0.000 1.234 465 I CA 0.946 62.279 61.300 0.055 0.000 1.483 465 I CB -0.346 37.707 38.000 0.089 0.000 1.097 465 I HN 0.148 nan 8.210 nan 0.000 0.455 466 N N 1.295 120.022 118.700 0.044 0.000 2.351 466 N HA 0.041 4.813 4.740 0.053 0.000 0.254 466 N C -0.066 175.546 175.510 0.170 0.000 1.241 466 N CA -0.044 53.074 53.050 0.113 0.000 0.883 466 N CB -0.075 38.492 38.487 0.134 0.000 1.202 466 N HN 0.187 nan 8.380 nan 0.000 0.512 467 D N 0.700 121.149 120.400 0.082 0.000 2.811 467 D HA -0.265 4.407 4.640 0.053 0.000 0.231 467 D C -0.028 176.155 176.300 -0.196 0.000 1.157 467 D CA 1.128 55.139 54.000 0.019 0.000 0.716 467 D CB -1.301 39.590 40.800 0.153 0.000 1.077 467 D HN 0.501 nan 8.370 nan 0.000 0.428 468 N N -1.795 116.826 118.700 -0.132 0.000 2.800 468 N HA -0.245 4.527 4.740 0.053 0.000 0.250 468 N C -0.769 174.649 175.510 -0.152 0.000 1.078 468 N CA 1.407 54.347 53.050 -0.184 0.000 0.804 468 N CB -1.339 36.997 38.487 -0.252 0.000 1.135 468 N HN 0.532 nan 8.380 nan 0.000 0.565 469 W N 1.134 122.482 121.300 0.080 0.000 2.313 469 W HA 0.428 5.120 4.660 0.053 0.000 0.328 469 W C -1.627 174.938 176.519 0.076 0.000 1.197 469 W CA -1.580 55.797 57.345 0.053 0.000 1.235 469 W CB 0.479 29.921 29.460 -0.030 0.000 1.158 469 W HN -0.024 nan 8.180 nan 0.000 0.578 470 P HA 0.184 nan 4.420 nan 0.000 0.275 470 P C -0.691 176.745 177.300 0.226 0.000 1.228 470 P CA -0.106 63.137 63.100 0.239 0.000 0.786 470 P CB 0.977 32.663 31.700 -0.022 0.000 0.927 471 R N 1.315 121.930 120.500 0.191 0.000 2.540 471 R HA 0.305 4.677 4.340 0.053 0.000 0.287 471 R C 0.398 176.731 176.300 0.055 0.000 0.980 471 R CA -0.800 55.286 56.100 -0.022 0.000 0.966 471 R CB 1.106 31.185 30.300 -0.368 0.000 1.106 471 R HN 0.495 nan 8.270 nan 0.000 0.480 472 E N 0.628 120.849 120.200 0.035 0.000 2.436 472 E HA 0.009 4.391 4.350 0.053 0.000 0.262 472 E C -0.540 176.083 176.600 0.039 0.000 1.063 472 E CA 0.726 57.157 56.400 0.052 0.000 0.944 472 E CB 0.628 30.348 29.700 0.034 0.000 0.950 472 E HN 0.357 nan 8.360 nan 0.000 0.444 473 T N 3.364 117.952 114.554 0.057 0.000 2.841 473 T HA 0.340 4.722 4.350 0.053 0.000 0.285 473 T C -2.425 172.300 174.700 0.041 0.000 0.991 473 T CA -1.525 60.606 62.100 0.052 0.000 0.966 473 T CB 1.513 70.424 68.868 0.071 0.000 0.962 473 T HN 0.231 nan 8.240 nan 0.000 0.438 474 P HA 0.230 nan 4.420 nan 0.000 0.269 474 P C -2.377 174.930 177.300 0.012 0.000 1.215 474 P CA -1.163 61.945 63.100 0.014 0.000 0.780 474 P CB -0.257 31.447 31.700 0.006 0.000 0.898 475 P HA 0.258 nan 4.420 nan 0.000 0.270 475 P C -0.009 177.280 177.300 -0.018 0.000 1.223 475 P CA 0.377 63.464 63.100 -0.022 0.000 0.785 475 P CB 0.705 32.370 31.700 -0.058 0.000 0.923 476 G N 0.625 109.413 108.800 -0.020 0.000 2.490 476 G HA2 0.363 4.355 3.960 0.053 0.000 0.308 476 G HA3 0.363 4.355 3.960 0.053 0.000 0.308 476 G C -2.594 172.295 174.900 -0.019 0.000 1.286 476 G CA -0.642 44.448 45.100 -0.017 0.000 0.825 476 G HN 0.106 nan 8.290 nan 0.000 0.479 477 P HA 0.135 nan 4.420 nan 0.000 0.217 477 P C 0.055 177.350 177.300 -0.010 0.000 1.151 477 P CA 1.135 64.225 63.100 -0.016 0.000 0.828 477 P CB 0.158 31.851 31.700 -0.012 0.000 0.788 478 K N -1.219 119.182 120.400 0.002 0.000 2.498 478 K HA 0.412 4.764 4.320 0.053 0.000 0.254 478 K C -0.277 176.338 176.600 0.025 0.000 0.933 478 K CA -0.943 55.352 56.287 0.014 0.000 0.806 478 K CB 2.107 34.617 32.500 0.016 0.000 1.301 478 K HN -0.360 nan 8.250 nan 0.000 0.432 479 R N -0.452 120.070 120.500 0.038 0.000 3.758 479 R HA -0.136 4.236 4.340 0.053 0.000 0.299 479 R C -0.031 176.299 176.300 0.050 0.000 1.182 479 R CA 0.992 57.121 56.100 0.050 0.000 0.809 479 R CB -2.243 28.085 30.300 0.047 0.000 1.249 479 R HN 1.025 nan 8.270 nan 0.000 0.497 480 G N -0.846 107.979 108.800 0.041 0.000 2.462 480 G HA2 0.612 4.604 3.960 0.053 0.000 0.319 480 G HA3 0.612 4.604 3.960 0.053 0.000 0.319 480 G C 0.376 175.310 174.900 0.058 0.000 1.171 480 G CA 0.086 45.209 45.100 0.037 0.000 0.920 480 G HN 0.254 nan 8.290 nan 0.000 0.499 481 G N -1.151 107.685 108.800 0.060 0.000 2.569 481 G HA2 0.396 4.388 3.960 0.053 0.000 0.249 481 G HA3 0.396 4.388 3.960 0.053 0.000 0.249 481 G C -0.625 174.336 174.900 0.102 0.000 1.216 481 G CA -0.516 44.642 45.100 0.097 0.000 0.845 481 G HN 0.460 nan 8.290 nan 0.000 0.568 482 F N 0.461 120.425 119.950 0.025 0.000 2.456 482 F HA 0.380 4.939 4.527 0.054 0.000 0.358 482 F C 0.551 176.365 175.800 0.023 0.000 1.095 482 F CA -0.243 57.767 58.000 0.016 0.000 1.216 482 F CB 0.920 39.933 39.000 0.022 0.000 1.125 482 F HN 0.443 nan 8.300 nan 0.000 0.549 483 E N 4.204 124.059 120.200 -0.575 0.000 2.224 483 E HA 0.304 4.686 4.350 0.053 0.000 0.265 483 E C -1.082 175.175 176.600 -0.571 0.000 0.878 483 E CA -0.781 55.417 56.400 -0.336 0.000 0.759 483 E CB 1.461 31.053 29.700 -0.181 0.000 1.164 483 E HN 0.631 nan 8.360 nan 0.000 0.414 484 S N 2.707 118.298 115.700 -0.181 0.000 2.560 484 S HA -0.037 4.465 4.470 0.053 0.000 0.284 484 S C -0.457 174.118 174.600 -0.042 0.000 1.327 484 S CA -0.274 57.903 58.200 -0.038 0.000 1.055 484 S CB 0.080 63.394 63.200 0.189 0.000 0.868 484 S HN 0.475 nan 8.310 nan 0.000 0.506 485 Y N 2.620 122.846 120.300 -0.124 0.000 2.717 485 Y HA -0.029 4.553 4.550 0.053 0.000 0.330 485 Y C 0.875 176.753 175.900 -0.037 0.000 1.217 485 Y CA 0.143 58.186 58.100 -0.095 0.000 1.506 485 Y CB 0.161 38.562 38.460 -0.098 0.000 1.268 485 Y HN 0.587 nan 8.280 nan 0.000 0.561 486 Q N 5.364 124.771 119.800 -0.654 0.000 3.254 486 Q HA 0.012 4.384 4.340 0.053 0.000 0.315 486 Q C -0.197 175.478 176.000 -0.542 0.000 1.405 486 Q CA -0.042 55.492 55.803 -0.447 0.000 0.966 486 Q CB -0.200 28.354 28.738 -0.306 0.000 1.706 486 Q HN 0.654 nan 8.270 nan 0.000 0.525 487 E N 1.535 121.490 120.200 -0.408 0.000 2.413 487 E HA -0.011 4.371 4.350 0.053 0.000 0.263 487 E C -0.118 176.439 176.600 -0.071 0.000 1.015 487 E CA -0.513 55.790 56.400 -0.161 0.000 0.916 487 E CB 0.641 30.399 29.700 0.095 0.000 0.947 487 E HN 0.147 nan 8.360 nan 0.000 0.440 488 R N 3.167 123.653 120.500 -0.023 0.000 2.389 488 R HA 0.197 4.569 4.340 0.053 0.000 0.295 488 R C -1.596 174.725 176.300 0.036 0.000 1.075 488 R CA -0.189 55.913 56.100 0.003 0.000 1.005 488 R CB 0.757 31.069 30.300 0.019 0.000 0.987 488 R HN 0.259 nan 8.270 nan 0.000 0.452 489 V N 4.934 124.863 119.914 0.024 0.000 2.540 489 V HA 0.479 4.631 4.120 0.053 0.000 0.302 489 V C -0.543 175.564 176.094 0.022 0.000 1.035 489 V CA -0.636 61.683 62.300 0.031 0.000 0.873 489 V CB 1.464 33.301 31.823 0.025 0.000 0.992 489 V HN 0.901 nan 8.190 nan 0.000 0.428 490 E N 2.987 123.202 120.200 0.025 0.000 2.349 490 E HA 0.633 5.015 4.350 0.053 0.000 0.290 490 E C -0.483 176.123 176.600 0.010 0.000 0.901 490 E CA -0.050 56.359 56.400 0.015 0.000 0.800 490 E CB 1.913 31.622 29.700 0.015 0.000 1.303 490 E HN 1.020 nan 8.360 nan 0.000 0.397 491 G N 2.718 111.519 108.800 0.002 0.000 2.341 491 G HA2 0.070 4.062 3.960 0.053 0.000 0.293 491 G HA3 0.070 4.062 3.960 0.053 0.000 0.293 491 G C -1.496 173.399 174.900 -0.009 0.000 1.298 491 G CA -0.976 44.122 45.100 -0.004 0.000 0.868 491 G HN 0.418 nan 8.290 nan 0.000 0.540 492 N N 0.222 118.914 118.700 -0.014 0.000 2.476 492 N HA 0.354 5.126 4.740 0.053 0.000 0.275 492 N C -0.157 175.340 175.510 -0.021 0.000 1.190 492 N CA -0.322 52.719 53.050 -0.016 0.000 0.977 492 N CB 1.030 39.506 38.487 -0.018 0.000 1.200 492 N HN 0.491 nan 8.380 nan 0.000 0.515 493 K N 0.866 121.253 120.400 -0.021 0.000 2.351 493 K HA 0.161 4.513 4.320 0.053 0.000 0.287 493 K C -0.347 176.232 176.600 -0.034 0.000 1.068 493 K CA -0.086 56.185 56.287 -0.027 0.000 0.998 493 K CB -0.170 32.315 32.500 -0.025 0.000 0.968 493 K HN 0.342 nan 8.250 nan 0.000 0.464 494 V N 0.336 120.224 119.914 -0.042 0.000 2.876 494 V HA 0.475 4.627 4.120 0.053 0.000 0.312 494 V C -0.503 175.551 176.094 -0.065 0.000 1.085 494 V CA -1.334 60.936 62.300 -0.050 0.000 0.945 494 V CB 2.009 33.804 31.823 -0.047 0.000 1.017 494 V HN 0.609 nan 8.190 nan 0.000 0.428 495 R N 2.452 122.908 120.500 -0.072 0.000 2.369 495 R HA 0.609 4.981 4.340 0.053 0.000 0.310 495 R C -0.505 175.747 176.300 -0.081 0.000 1.141 495 R CA -0.132 55.912 56.100 -0.092 0.000 1.116 495 R CB 0.816 31.049 30.300 -0.113 0.000 1.135 495 R HN 0.941 nan 8.270 nan 0.000 0.529 496 E N 2.064 122.212 120.200 -0.086 0.000 2.335 496 E HA 0.230 4.612 4.350 0.053 0.000 0.280 496 E C -1.289 175.242 176.600 -0.115 0.000 0.918 496 E CA -0.991 55.360 56.400 -0.081 0.000 0.765 496 E CB 1.617 31.276 29.700 -0.068 0.000 1.218 496 E HN 0.135 nan 8.360 nan 0.000 0.425 497 R N 1.656 122.092 120.500 -0.107 0.000 2.390 497 R HA 0.250 4.622 4.340 0.053 0.000 0.291 497 R C -0.510 175.671 176.300 -0.197 0.000 1.070 497 R CA 0.050 56.044 56.100 -0.176 0.000 1.014 497 R CB 1.280 31.533 30.300 -0.077 0.000 1.007 497 R HN 0.392 nan 8.270 nan 0.000 0.466 498 S N 4.455 119.927 115.700 -0.380 0.000 2.549 498 S HA 0.108 4.610 4.470 0.053 0.000 0.286 498 S C -1.570 173.010 174.600 -0.033 0.000 1.314 498 S CA -1.216 56.858 58.200 -0.211 0.000 1.062 498 S CB 0.676 63.722 63.200 -0.256 0.000 0.865 498 S HN 0.525 nan 8.310 nan 0.000 0.498 499 P HA -0.095 nan 4.420 nan 0.000 0.218 499 P C 1.588 178.946 177.300 0.096 0.000 1.149 499 P CA 1.146 64.273 63.100 0.045 0.000 0.817 499 P CB -0.096 31.619 31.700 0.024 0.000 0.785 500 S N -1.761 114.035 115.700 0.160 0.000 2.442 500 S HA -0.142 4.360 4.470 0.053 0.000 0.236 500 S C 1.483 176.255 174.600 0.286 0.000 1.007 500 S CA 0.980 59.308 58.200 0.213 0.000 0.965 500 S CB -1.447 61.910 63.200 0.262 0.000 0.773 500 S HN -0.026 nan 8.310 nan 0.000 0.504 501 F N 2.151 122.096 119.950 -0.008 0.000 2.797 501 F HA 0.389 4.948 4.527 0.053 0.000 0.302 501 F C 1.977 177.709 175.800 -0.113 0.000 1.130 501 F CA -0.672 57.317 58.000 -0.019 0.000 1.387 501 F CB -0.564 38.458 39.000 0.035 0.000 1.107 501 F HN 0.359 nan 8.300 nan 0.000 0.577 502 G N 0.403 109.202 108.800 -0.002 0.000 3.574 502 G HA2 0.082 4.074 3.960 0.053 0.000 0.262 502 G HA3 0.082 4.074 3.960 0.053 0.000 0.262 502 G C -0.024 174.477 174.900 -0.665 0.000 1.231 502 G CA 0.092 45.017 45.100 -0.291 0.000 1.608 502 G HN 0.051 nan 8.290 nan 0.000 0.628 503 E N 0.049 119.796 120.200 -0.756 0.000 2.256 503 E HA 0.353 4.735 4.350 0.053 0.000 0.268 503 E C -0.846 175.329 176.600 -0.709 0.000 0.877 503 E CA -0.775 55.231 56.400 -0.656 0.000 0.757 503 E CB 1.604 31.162 29.700 -0.237 0.000 1.183 503 E HN 0.196 nan 8.360 nan 0.000 0.418 504 Y N 2.494 122.591 120.300 -0.339 0.000 2.432 504 Y HA 0.194 4.776 4.550 0.054 0.000 0.252 504 Y C 0.724 176.348 175.900 -0.460 0.000 1.097 504 Y CA -0.094 57.698 58.100 -0.514 0.000 1.250 504 Y CB 0.432 38.427 38.460 -0.776 0.000 1.245 504 Y HN 0.433 nan 8.280 nan 0.000 0.522 505 Y N -1.281 119.104 120.300 0.142 0.000 2.444 505 Y HA 0.103 4.685 4.550 0.053 0.000 0.252 505 Y C 2.352 178.315 175.900 0.104 0.000 1.091 505 Y CA 0.159 58.338 58.100 0.132 0.000 1.276 505 Y CB -0.218 38.325 38.460 0.138 0.000 1.170 505 Y HN 0.053 nan 8.280 nan 0.000 0.517 506 S N -1.044 114.791 115.700 0.226 0.000 2.406 506 S HA -0.151 4.351 4.470 0.053 0.000 0.228 506 S C 1.371 176.045 174.600 0.123 0.000 1.020 506 S CA 1.370 59.681 58.200 0.186 0.000 0.965 506 S CB -0.475 62.836 63.200 0.184 0.000 0.798 506 S HN 0.409 nan 8.310 nan 0.000 0.488 507 H N 2.745 121.734 119.070 -0.136 0.000 2.372 507 H HA 0.212 4.800 4.556 0.053 0.000 0.301 507 H C -0.691 174.458 175.328 -0.298 0.000 1.065 507 H CA 1.139 56.963 56.048 -0.373 0.000 1.364 507 H CB -1.705 27.584 29.762 -0.787 0.000 1.406 507 H HN 0.363 nan 8.280 nan 0.000 0.521 508 P HA -0.197 nan 4.420 nan 0.000 0.216 508 P C 1.491 178.985 177.300 0.324 0.000 1.153 508 P CA 1.767 65.029 63.100 0.270 0.000 0.858 508 P CB 0.092 31.972 31.700 0.300 0.000 0.789 509 R N -0.446 120.192 120.500 0.229 0.000 2.073 509 R HA -0.143 4.229 4.340 0.053 0.000 0.234 509 R C 2.207 178.637 176.300 0.217 0.000 1.134 509 R CA 1.318 57.552 56.100 0.223 0.000 0.952 509 R CB -1.121 29.273 30.300 0.155 0.000 0.850 509 R HN 0.070 nan 8.270 nan 0.000 0.433 510 L N 0.365 121.659 121.223 0.119 0.000 2.017 510 L HA -0.126 4.246 4.340 0.053 0.000 0.208 510 L C 2.048 178.979 176.870 0.103 0.000 1.073 510 L CA 1.733 56.607 54.840 0.057 0.000 0.745 510 L CB -0.698 41.318 42.059 -0.071 0.000 0.894 510 L HN 0.245 nan 8.230 nan 0.000 0.432 511 F N -0.464 119.517 119.950 0.052 0.000 2.065 511 F HA -0.324 4.235 4.527 0.054 0.000 0.298 511 F C 2.349 178.156 175.800 0.012 0.000 1.112 511 F CA 2.451 60.468 58.000 0.027 0.000 1.212 511 F CB -0.726 38.334 39.000 0.100 0.000 0.975 511 F HN 0.407 nan 8.300 nan 0.000 0.476 512 W N 1.325 122.620 121.300 -0.008 0.000 2.317 512 W HA -0.272 4.419 4.660 0.053 0.000 0.318 512 W C 1.879 178.281 176.519 -0.195 0.000 1.227 512 W CA 2.003 59.290 57.345 -0.096 0.000 1.269 512 W CB -0.797 28.696 29.460 0.055 0.000 1.155 512 W HN 0.118 nan 8.180 nan 0.000 0.484 513 L N 1.073 122.232 121.223 -0.108 0.000 2.275 513 L HA -0.176 4.196 4.340 0.053 0.000 0.215 513 L C 2.457 179.143 176.870 -0.308 0.000 1.119 513 L CA 1.237 55.943 54.840 -0.224 0.000 0.790 513 L CB -0.756 41.294 42.059 -0.015 0.000 0.919 513 L HN -0.137 nan 8.230 nan 0.000 0.443 514 S N -1.328 114.178 115.700 -0.324 0.000 2.522 514 S HA 0.002 4.504 4.470 0.053 0.000 0.227 514 S C 0.780 175.093 174.600 -0.479 0.000 0.986 514 S CA 0.288 58.281 58.200 -0.345 0.000 0.929 514 S CB -0.058 62.972 63.200 -0.283 0.000 0.769 514 S HN 0.313 nan 8.310 nan 0.000 0.529 515 Q N 2.170 121.580 119.800 -0.650 0.000 2.306 515 Q HA 0.265 4.637 4.340 0.053 0.000 0.241 515 Q C 0.708 176.316 176.000 -0.653 0.000 0.948 515 Q CA -0.073 55.310 55.803 -0.701 0.000 0.886 515 Q CB 0.331 28.587 28.738 -0.804 0.000 1.227 515 Q HN 0.442 nan 8.270 nan 0.000 0.457 516 T N -1.716 112.409 114.554 -0.715 0.000 2.748 516 T HA 0.128 4.510 4.350 0.053 0.000 0.304 516 T C -1.746 172.491 174.700 -0.771 0.000 1.041 516 T CA -1.183 60.445 62.100 -0.786 0.000 1.033 516 T CB 0.216 68.327 68.868 -1.261 0.000 0.995 516 T HN 0.239 nan 8.240 nan 0.000 0.536 517 P HA 0.034 nan 4.420 nan 0.000 0.219 517 P C 1.373 178.474 177.300 -0.330 0.000 1.150 517 P CA 0.817 63.698 63.100 -0.365 0.000 0.814 517 P CB -0.229 31.373 31.700 -0.163 0.000 0.787 518 F N -0.261 119.500 119.950 -0.315 0.000 2.259 518 F HA 0.035 4.593 4.527 0.053 0.000 0.298 518 F C 1.823 177.280 175.800 -0.571 0.000 1.088 518 F CA 0.898 58.647 58.000 -0.420 0.000 1.358 518 F CB -1.545 37.187 39.000 -0.447 0.000 1.040 518 F HN -0.106 nan 8.300 nan 0.000 0.505 519 E N 0.597 120.274 120.200 -0.872 0.000 2.072 519 E HA -0.197 4.185 4.350 0.053 0.000 0.191 519 E C 2.236 178.649 176.600 -0.312 0.000 0.985 519 E CA 1.313 57.398 56.400 -0.524 0.000 0.801 519 E CB -0.272 29.053 29.700 -0.624 0.000 0.750 519 E HN 0.602 nan 8.360 nan 0.000 0.452 520 Q N 0.334 119.855 119.800 -0.466 0.000 2.112 520 Q HA -0.250 4.122 4.340 0.053 0.000 0.206 520 Q C 2.261 178.293 176.000 0.053 0.000 0.987 520 Q CA 1.568 57.127 55.803 -0.406 0.000 0.858 520 Q CB -0.214 28.002 28.738 -0.870 0.000 0.905 520 Q HN 0.004 nan 8.270 nan 0.000 0.420 521 R N 0.407 120.912 120.500 0.008 0.000 2.081 521 R HA -0.139 4.233 4.340 0.053 0.000 0.235 521 R C 1.669 178.157 176.300 0.313 0.000 1.131 521 R CA 1.899 58.098 56.100 0.165 0.000 0.960 521 R CB -0.534 29.835 30.300 0.115 0.000 0.856 521 R HN 0.478 nan 8.270 nan 0.000 0.436 522 H N -0.687 118.476 119.070 0.155 0.000 2.387 522 H HA -0.030 4.558 4.556 0.054 0.000 0.299 522 H C 2.013 177.456 175.328 0.192 0.000 1.090 522 H CA 1.269 57.422 56.048 0.175 0.000 1.332 522 H CB 0.009 29.878 29.762 0.177 0.000 1.386 522 H HN 0.187 nan 8.280 nan 0.000 0.516 523 I N 0.146 120.937 120.570 0.368 0.000 2.142 523 I HA -0.263 3.939 4.170 0.053 0.000 0.240 523 I C 2.369 178.782 176.117 0.493 0.000 1.078 523 I CA 0.818 62.372 61.300 0.423 0.000 1.343 523 I CB -0.221 38.130 38.000 0.585 0.000 1.046 523 I HN 0.069 nan 8.210 nan 0.000 0.405 524 V N 0.995 121.191 119.914 0.469 0.000 2.282 524 V HA -0.338 3.814 4.120 0.053 0.000 0.249 524 V C 2.039 178.310 176.094 0.295 0.000 1.057 524 V CA 2.197 64.716 62.300 0.364 0.000 1.032 524 V CB -0.695 31.302 31.823 0.291 0.000 0.645 524 V HN 0.429 nan 8.190 nan 0.000 0.447 525 D N 0.231 120.786 120.400 0.258 0.000 2.178 525 D HA -0.075 4.597 4.640 0.053 0.000 0.202 525 D C 2.142 178.515 176.300 0.120 0.000 0.974 525 D CA 1.435 55.550 54.000 0.191 0.000 0.841 525 D CB -0.511 40.401 40.800 0.186 0.000 0.953 525 D HN 0.488 nan 8.370 nan 0.000 0.478 526 G N 0.080 108.933 108.800 0.088 0.000 2.414 526 G HA2 -0.231 3.761 3.960 0.053 0.000 0.215 526 G HA3 -0.231 3.761 3.960 0.053 0.000 0.215 526 G C 1.431 176.324 174.900 -0.012 0.000 1.188 526 G CA 0.105 45.155 45.100 -0.084 0.000 0.783 526 G HN 0.154 nan 8.290 nan 0.000 0.537 527 F N 1.878 121.861 119.950 0.054 0.000 2.126 527 F HA -0.105 4.454 4.527 0.054 0.000 0.299 527 F C 3.164 178.884 175.800 -0.133 0.000 1.096 527 F CA 1.664 59.632 58.000 -0.053 0.000 1.255 527 F CB -0.348 38.628 39.000 -0.040 0.000 0.997 527 F HN 0.087 nan 8.300 nan 0.000 0.479 528 S N -0.300 115.504 115.700 0.172 0.000 2.368 528 S HA -0.194 4.308 4.470 0.053 0.000 0.224 528 S C 1.876 176.504 174.600 0.046 0.000 1.029 528 S CA 1.165 59.411 58.200 0.077 0.000 0.988 528 S CB -0.751 62.514 63.200 0.109 0.000 0.838 528 S HN 0.397 nan 8.310 nan 0.000 0.462 529 F N 2.589 122.500 119.950 -0.065 0.000 2.102 529 F HA -0.111 4.447 4.527 0.053 0.000 0.298 529 F C 2.362 178.103 175.800 -0.099 0.000 1.105 529 F CA 1.506 59.458 58.000 -0.080 0.000 1.239 529 F CB -0.232 38.662 39.000 -0.178 0.000 0.991 529 F HN 0.133 nan 8.300 nan 0.000 0.474 530 E N 0.526 120.737 120.200 0.018 0.000 2.047 530 E HA -0.198 4.184 4.350 0.053 0.000 0.191 530 E C 2.340 178.773 176.600 -0.279 0.000 0.987 530 E CA 1.584 57.962 56.400 -0.038 0.000 0.799 530 E CB -0.492 29.314 29.700 0.176 0.000 0.752 530 E HN 0.476 nan 8.360 nan 0.000 0.449 531 L N 0.928 121.899 121.223 -0.419 0.000 2.201 531 L HA -0.096 4.276 4.340 0.053 0.000 0.212 531 L C 2.427 179.141 176.870 -0.259 0.000 1.105 531 L CA 0.467 55.035 54.840 -0.454 0.000 0.775 531 L CB -0.167 41.637 42.059 -0.425 0.000 0.913 531 L HN -0.006 nan 8.230 nan 0.000 0.440 532 S N -0.335 115.225 115.700 -0.232 0.000 2.419 532 S HA -0.093 4.409 4.470 0.053 0.000 0.233 532 S C 1.709 176.197 174.600 -0.187 0.000 1.016 532 S CA 0.988 59.072 58.200 -0.193 0.000 0.974 532 S CB -0.050 63.022 63.200 -0.214 0.000 0.786 532 S HN 0.311 nan 8.310 nan 0.000 0.492 533 K N 1.157 121.425 120.400 -0.219 0.000 2.444 533 K HA 0.211 4.563 4.320 0.053 0.000 0.193 533 K C 0.044 176.642 176.600 -0.003 0.000 1.024 533 K CA 0.091 56.310 56.287 -0.113 0.000 1.077 533 K CB -0.135 32.299 32.500 -0.110 0.000 0.833 533 K HN 0.203 nan 8.250 nan 0.000 0.517 534 V N 2.169 122.061 119.914 -0.036 0.000 2.455 534 V HA 0.007 4.159 4.120 0.053 0.000 0.273 534 V C 1.701 177.780 176.094 -0.024 0.000 1.045 534 V CA -0.098 62.206 62.300 0.007 0.000 0.976 534 V CB 1.402 33.199 31.823 -0.043 0.000 0.993 534 V HN -0.130 nan 8.190 nan 0.000 0.475 535 V N 5.094 125.015 119.914 0.010 0.000 2.591 535 V HA -0.012 4.140 4.120 0.053 0.000 0.249 535 V C 1.277 177.353 176.094 -0.030 0.000 1.053 535 V CA 1.216 63.517 62.300 0.002 0.000 1.068 535 V CB -0.466 31.377 31.823 0.033 0.000 0.689 535 V HN 0.743 nan 8.190 nan 0.000 0.462 536 R N 0.676 121.127 120.500 -0.081 0.000 2.196 536 R HA 0.223 4.595 4.340 0.053 0.000 0.340 536 R C -1.788 174.385 176.300 -0.212 0.000 1.043 536 R CA -1.537 54.484 56.100 -0.131 0.000 0.883 536 R CB 0.905 31.056 30.300 -0.249 0.000 1.078 536 R HN 0.186 nan 8.270 nan 0.000 0.462 537 P HA -0.193 nan 4.420 nan 0.000 0.218 537 P C 0.740 178.004 177.300 -0.061 0.000 1.149 537 P CA 1.081 64.149 63.100 -0.054 0.000 0.817 537 P CB 0.021 31.729 31.700 0.013 0.000 0.785 538 Y N -1.215 119.085 120.300 -0.000 0.000 2.315 538 Y HA -0.126 4.456 4.550 0.053 0.000 0.288 538 Y C 1.884 177.789 175.900 0.009 0.000 1.154 538 Y CA 0.836 58.937 58.100 0.001 0.000 1.229 538 Y CB -1.781 36.680 38.460 0.002 0.000 0.980 538 Y HN -0.090 nan 8.280 nan 0.000 0.540 539 I N 0.797 120.976 120.570 -0.651 0.000 2.252 539 I HA -0.230 3.972 4.170 0.053 0.000 0.245 539 I C 2.537 178.575 176.117 -0.132 0.000 1.102 539 I CA 1.290 62.374 61.300 -0.361 0.000 1.385 539 I CB -0.405 37.362 38.000 -0.390 0.000 1.064 539 I HN 0.193 nan 8.210 nan 0.000 0.414 540 R N 0.981 121.388 120.500 -0.155 0.000 2.083 540 R HA -0.209 4.163 4.340 0.053 0.000 0.237 540 R C 2.128 178.382 176.300 -0.076 0.000 1.137 540 R CA 1.668 57.692 56.100 -0.128 0.000 0.951 540 R CB -0.522 29.698 30.300 -0.133 0.000 0.851 540 R HN 0.454 nan 8.270 nan 0.000 0.434 541 E N 0.433 120.612 120.200 -0.036 0.000 2.097 541 E HA -0.208 4.174 4.350 0.053 0.000 0.196 541 E C 2.153 178.762 176.600 0.015 0.000 1.000 541 E CA 1.265 57.665 56.400 -0.001 0.000 0.804 541 E CB -0.079 29.644 29.700 0.038 0.000 0.740 541 E HN 0.309 nan 8.360 nan 0.000 0.454 542 R N 0.151 120.675 120.500 0.040 0.000 2.115 542 R HA -0.053 4.319 4.340 0.053 0.000 0.226 542 R C 2.364 178.691 176.300 0.046 0.000 1.100 542 R CA 0.774 56.911 56.100 0.061 0.000 0.980 542 R CB -0.035 30.325 30.300 0.099 0.000 0.875 542 R HN 0.051 nan 8.270 nan 0.000 0.445 543 V N 0.255 120.189 119.914 0.033 0.000 2.379 543 V HA -0.171 3.981 4.120 0.053 0.000 0.245 543 V C 2.277 178.353 176.094 -0.029 0.000 1.044 543 V CA 1.285 63.615 62.300 0.050 0.000 1.036 543 V CB -0.176 31.694 31.823 0.079 0.000 0.664 543 V HN 0.090 nan 8.190 nan 0.000 0.453 544 V N 0.740 120.610 119.914 -0.075 0.000 2.324 544 V HA -0.362 3.790 4.120 0.053 0.000 0.250 544 V C 2.331 178.386 176.094 -0.064 0.000 1.060 544 V CA 2.611 64.847 62.300 -0.107 0.000 1.042 544 V CB -0.739 31.025 31.823 -0.098 0.000 0.650 544 V HN 0.671 nan 8.190 nan 0.000 0.450 545 D N -0.976 119.420 120.400 -0.007 0.000 2.149 545 D HA -0.196 4.476 4.640 0.053 0.000 0.198 545 D C 2.250 178.632 176.300 0.136 0.000 0.990 545 D CA 1.108 55.138 54.000 0.050 0.000 0.839 545 D CB -0.004 40.840 40.800 0.072 0.000 0.948 545 D HN 0.339 nan 8.370 nan 0.000 0.460 546 Q N -0.147 119.704 119.800 0.084 0.000 2.079 546 Q HA -0.054 4.318 4.340 0.053 0.000 0.200 546 Q C 2.565 178.602 176.000 0.060 0.000 0.974 546 Q CA 0.677 56.546 55.803 0.109 0.000 0.840 546 Q CB -0.441 28.380 28.738 0.137 0.000 0.898 546 Q HN 0.446 nan 8.270 nan 0.000 0.430 547 L N 0.146 121.334 121.223 -0.057 0.000 2.131 547 L HA -0.142 4.230 4.340 0.053 0.000 0.210 547 L C 2.316 179.070 176.870 -0.192 0.000 1.092 547 L CA 1.057 55.784 54.840 -0.188 0.000 0.759 547 L CB -0.695 41.144 42.059 -0.366 0.000 0.903 547 L HN 0.102 nan 8.230 nan 0.000 0.435 548 A N -0.702 122.027 122.820 -0.153 0.000 2.067 548 A HA -0.204 4.148 4.320 0.053 0.000 0.219 548 A C 1.806 179.201 177.584 -0.315 0.000 1.158 548 A CA 1.257 53.166 52.037 -0.213 0.000 0.661 548 A CB -0.730 18.153 19.000 -0.196 0.000 0.801 548 A HN 0.442 nan 8.150 nan 0.000 0.452 549 H N -1.054 117.814 119.070 -0.337 0.000 2.524 549 H HA 0.174 4.762 4.556 0.053 0.000 0.282 549 H C 1.615 176.649 175.328 -0.489 0.000 1.016 549 H CA 1.306 57.006 56.048 -0.581 0.000 1.270 549 H CB 0.016 29.059 29.762 -1.198 0.000 1.394 549 H HN 0.513 nan 8.280 nan 0.000 0.568 550 I N -1.247 119.216 120.570 -0.178 0.000 2.681 550 I HA 0.065 4.267 4.170 0.053 0.000 0.247 550 I C -0.106 175.940 176.117 -0.119 0.000 1.091 550 I CA 0.471 61.739 61.300 -0.052 0.000 1.442 550 I CB 0.647 38.648 38.000 0.002 0.000 1.219 550 I HN 0.098 nan 8.210 nan 0.000 0.451 551 D N -0.330 119.927 120.400 -0.239 0.000 2.861 551 D HA 0.162 4.834 4.640 0.053 0.000 0.216 551 D C 0.300 176.429 176.300 -0.285 0.000 1.323 551 D CA -0.346 53.492 54.000 -0.271 0.000 0.917 551 D CB 1.479 41.993 40.800 -0.477 0.000 1.582 551 D HN -0.009 nan 8.370 nan 0.000 0.576 552 L N 2.997 124.112 121.223 -0.180 0.000 2.046 552 L HA -0.087 4.285 4.340 0.053 0.000 0.208 552 L C 1.347 178.135 176.870 -0.136 0.000 1.077 552 L CA 1.765 56.513 54.840 -0.152 0.000 0.747 552 L CB -0.435 41.564 42.059 -0.101 0.000 0.896 552 L HN 0.578 nan 8.230 nan 0.000 0.432 553 T N 0.922 115.423 114.554 -0.089 0.000 2.652 553 T HA -0.249 4.133 4.350 0.053 0.000 0.267 553 T C 1.814 176.452 174.700 -0.103 0.000 1.039 553 T CA 1.855 63.943 62.100 -0.019 0.000 1.153 553 T CB -0.446 68.501 68.868 0.131 0.000 0.863 553 T HN 0.338 nan 8.240 nan 0.000 0.428 554 L N 1.612 122.611 121.223 -0.374 0.000 2.012 554 L HA -0.039 4.333 4.340 0.053 0.000 0.210 554 L C 2.579 179.221 176.870 -0.380 0.000 1.073 554 L CA 2.230 56.691 54.840 -0.632 0.000 0.748 554 L CB -1.124 40.096 42.059 -1.399 0.000 0.891 554 L HN 0.217 nan 8.230 nan 0.000 0.431 555 A N -1.077 121.537 122.820 -0.343 0.000 1.877 555 A HA -0.258 4.094 4.320 0.053 0.000 0.216 555 A C 2.245 179.728 177.584 -0.169 0.000 1.186 555 A CA 1.902 53.784 52.037 -0.259 0.000 0.620 555 A CB -0.703 18.162 19.000 -0.224 0.000 0.822 555 A HN 0.696 nan 8.150 nan 0.000 0.443 556 Q N -0.852 118.873 119.800 -0.126 0.000 2.124 556 Q HA -0.108 4.264 4.340 0.053 0.000 0.202 556 Q C 2.424 178.393 176.000 -0.051 0.000 0.977 556 Q CA 1.318 57.076 55.803 -0.075 0.000 0.850 556 Q CB -0.351 28.358 28.738 -0.049 0.000 0.901 556 Q HN 0.700 nan 8.270 nan 0.000 0.429 557 A N 0.149 122.944 122.820 -0.043 0.000 1.898 557 A HA -0.127 4.225 4.320 0.053 0.000 0.216 557 A C 2.296 179.877 177.584 -0.004 0.000 1.181 557 A CA 1.227 53.266 52.037 0.004 0.000 0.620 557 A CB -0.615 18.417 19.000 0.053 0.000 0.819 557 A HN 0.207 nan 8.150 nan 0.000 0.442 558 V N 0.029 119.911 119.914 -0.053 0.000 2.295 558 V HA -0.265 3.887 4.120 0.053 0.000 0.246 558 V C 3.080 179.139 176.094 -0.058 0.000 1.049 558 V CA 1.937 64.202 62.300 -0.058 0.000 1.024 558 V CB -1.408 30.323 31.823 -0.153 0.000 0.648 558 V HN 0.617 nan 8.190 nan 0.000 0.447 559 A N 0.007 122.780 122.820 -0.077 0.000 1.903 559 A HA -0.365 3.987 4.320 0.053 0.000 0.219 559 A C 2.333 179.897 177.584 -0.034 0.000 1.191 559 A CA 2.682 54.682 52.037 -0.061 0.000 0.638 559 A CB -0.621 18.341 19.000 -0.064 0.000 0.823 559 A HN 0.569 nan 8.150 nan 0.000 0.451 560 K N -0.606 119.782 120.400 -0.021 0.000 2.032 560 K HA -0.201 4.151 4.320 0.053 0.000 0.209 560 K C 1.634 178.237 176.600 0.005 0.000 1.048 560 K CA 1.705 57.990 56.287 -0.003 0.000 0.927 560 K CB -0.228 32.277 32.500 0.008 0.000 0.712 560 K HN 0.444 nan 8.250 nan 0.000 0.441 561 N N 0.624 119.331 118.700 0.011 0.000 2.364 561 N HA -0.118 4.654 4.740 0.053 0.000 0.183 561 N C 1.246 176.759 175.510 0.004 0.000 1.022 561 N CA 0.910 53.973 53.050 0.022 0.000 0.883 561 N CB 0.051 38.564 38.487 0.044 0.000 0.965 561 N HN 0.290 nan 8.380 nan 0.000 0.438 562 L N -0.919 120.294 121.223 -0.016 0.000 2.640 562 L HA 0.242 4.613 4.340 0.053 0.000 0.230 562 L C 0.940 177.796 176.870 -0.024 0.000 1.123 562 L CA -0.069 54.752 54.840 -0.032 0.000 0.900 562 L CB -0.079 41.946 42.059 -0.056 0.000 1.146 562 L HN 0.079 nan 8.230 nan 0.000 0.484 563 G N 1.631 110.423 108.800 -0.013 0.000 2.221 563 G HA2 -0.290 3.702 3.960 0.053 0.000 0.265 563 G HA3 -0.290 3.702 3.960 0.053 0.000 0.265 563 G C 0.002 174.894 174.900 -0.013 0.000 1.041 563 G CA 0.177 45.272 45.100 -0.009 0.000 0.807 563 G HN 0.330 nan 8.290 nan 0.000 0.502 564 I N -0.156 120.402 120.570 -0.020 0.000 2.493 564 I HA 0.426 4.628 4.170 0.053 0.000 0.298 564 I C 0.190 176.293 176.117 -0.023 0.000 0.998 564 I CA -0.743 60.544 61.300 -0.023 0.000 1.137 564 I CB 1.713 39.693 38.000 -0.034 0.000 1.310 564 I HN 0.062 nan 8.210 nan 0.000 0.445 565 E N 6.002 126.190 120.200 -0.020 0.000 2.158 565 E HA 0.435 4.817 4.350 0.053 0.000 0.271 565 E C -1.038 175.547 176.600 -0.026 0.000 0.911 565 E CA -0.761 55.626 56.400 -0.021 0.000 0.767 565 E CB 2.081 31.772 29.700 -0.015 0.000 1.120 565 E HN 0.410 nan 8.360 nan 0.000 0.405 566 L N 3.044 124.246 121.223 -0.035 0.000 2.453 566 L HA 0.069 4.441 4.340 0.053 0.000 0.272 566 L C 1.216 178.065 176.870 -0.035 0.000 1.182 566 L CA -0.078 54.737 54.840 -0.042 0.000 0.858 566 L CB -0.052 41.974 42.059 -0.057 0.000 1.120 566 L HN 0.660 nan 8.230 nan 0.000 0.474 567 T N -1.867 112.667 114.554 -0.033 0.000 2.701 567 T HA 0.017 4.399 4.350 0.053 0.000 0.303 567 T C 0.798 175.477 174.700 -0.034 0.000 1.030 567 T CA -0.710 61.373 62.100 -0.028 0.000 1.010 567 T CB 0.941 69.796 68.868 -0.022 0.000 1.007 567 T HN 0.506 nan 8.240 nan 0.000 0.532 568 D N 0.277 120.660 120.400 -0.029 0.000 2.117 568 D HA -0.071 4.601 4.640 0.053 0.000 0.198 568 D C 1.782 178.058 176.300 -0.040 0.000 0.982 568 D CA 1.006 54.987 54.000 -0.031 0.000 0.828 568 D CB -0.333 40.453 40.800 -0.023 0.000 0.967 568 D HN 0.567 nan 8.370 nan 0.000 0.464 569 D N 0.854 121.232 120.400 -0.037 0.000 2.116 569 D HA -0.157 4.515 4.640 0.053 0.000 0.193 569 D C 2.102 178.357 176.300 -0.074 0.000 0.998 569 D CA 0.932 54.905 54.000 -0.045 0.000 0.836 569 D CB -0.278 40.504 40.800 -0.030 0.000 0.951 569 D HN 0.313 nan 8.370 nan 0.000 0.449 570 Q N -0.504 119.251 119.800 -0.075 0.000 2.170 570 Q HA -0.112 4.260 4.340 0.053 0.000 0.203 570 Q C 1.900 177.825 176.000 -0.125 0.000 0.976 570 Q CA 0.526 56.261 55.803 -0.113 0.000 0.858 570 Q CB 0.021 28.706 28.738 -0.088 0.000 0.907 570 Q HN 0.169 nan 8.270 nan 0.000 0.433 571 L N 0.322 121.491 121.223 -0.089 0.000 2.362 571 L HA -0.108 4.264 4.340 0.053 0.000 0.219 571 L C 0.582 177.402 176.870 -0.083 0.000 1.134 571 L CA 1.607 56.400 54.840 -0.079 0.000 0.807 571 L CB -0.365 41.662 42.059 -0.055 0.000 0.927 571 L HN 0.199 nan 8.230 nan 0.000 0.447 572 N N -1.494 117.154 118.700 -0.087 0.000 2.234 572 N HA 0.220 4.992 4.740 0.053 0.000 0.227 572 N C 0.007 175.456 175.510 -0.102 0.000 1.151 572 N CA -0.145 52.859 53.050 -0.078 0.000 0.865 572 N CB 0.567 39.021 38.487 -0.054 0.000 1.066 572 N HN 0.142 nan 8.380 nan 0.000 0.515 573 I N 1.594 122.069 120.570 -0.159 0.000 2.533 573 I HA -0.018 4.183 4.170 0.053 0.000 0.284 573 I C 0.338 176.358 176.117 -0.161 0.000 1.109 573 I CA 0.117 61.287 61.300 -0.217 0.000 1.412 573 I CB 0.495 38.237 38.000 -0.430 0.000 1.396 573 I HN 0.080 nan 8.210 nan 0.000 0.543 574 T N 8.191 122.680 114.554 -0.108 0.000 2.853 574 T HA 0.130 4.512 4.350 0.053 0.000 0.298 574 T C -2.020 172.641 174.700 -0.064 0.000 0.978 574 T CA -0.849 61.212 62.100 -0.064 0.000 1.152 574 T CB -0.043 68.809 68.868 -0.026 0.000 0.914 574 T HN 0.382 nan 8.240 nan 0.000 0.539 575 P HA 0.177 nan 4.420 nan 0.000 0.267 575 P C -2.232 175.080 177.300 0.020 0.000 1.200 575 P CA -1.299 61.785 63.100 -0.027 0.000 0.772 575 P CB -0.448 31.248 31.700 -0.007 0.000 0.855 576 P HA 0.191 nan 4.420 nan 0.000 0.271 576 P C -2.437 174.916 177.300 0.090 0.000 1.233 576 P CA -1.114 62.053 63.100 0.112 0.000 0.789 576 P CB -0.993 30.821 31.700 0.190 0.000 0.951 577 P HA 0.088 nan 4.420 nan 0.000 0.272 577 P C -0.440 176.908 177.300 0.080 0.000 1.240 577 P CA 0.002 63.149 63.100 0.078 0.000 0.791 577 P CB 0.014 31.762 31.700 0.080 0.000 0.978 578 D N -0.843 119.597 120.400 0.066 0.000 2.371 578 D HA 0.156 4.828 4.640 0.053 0.000 0.242 578 D C -0.512 175.834 176.300 0.075 0.000 1.218 578 D CA -0.360 53.676 54.000 0.059 0.000 0.945 578 D CB -0.084 40.744 40.800 0.047 0.000 1.137 578 D HN -0.032 nan 8.370 nan 0.000 0.464 579 V N 1.457 121.404 119.914 0.055 0.000 2.318 579 V HA 0.154 4.306 4.120 0.053 0.000 0.271 579 V C -0.140 176.040 176.094 0.144 0.000 1.030 579 V CA -0.791 61.567 62.300 0.097 0.000 0.844 579 V CB -0.459 31.321 31.823 -0.072 0.000 1.015 579 V HN 0.693 nan 8.190 nan 0.000 0.460 580 N N 4.539 123.347 118.700 0.179 0.000 2.707 580 N HA -0.225 4.547 4.740 0.053 0.000 0.253 580 N C 1.151 176.728 175.510 0.112 0.000 0.998 580 N CA 1.180 54.326 53.050 0.159 0.000 0.751 580 N CB -0.860 37.771 38.487 0.240 0.000 0.920 580 N HN 1.308 nan 8.380 nan 0.000 0.539 581 G N -2.085 106.765 108.800 0.083 0.000 2.179 581 G HA2 -0.321 3.671 3.960 0.053 0.000 0.260 581 G HA3 -0.321 3.671 3.960 0.053 0.000 0.260 581 G C 0.047 174.977 174.900 0.051 0.000 0.977 581 G CA 0.320 45.456 45.100 0.060 0.000 0.641 581 G HN 0.415 nan 8.290 nan 0.000 0.533 582 L N 0.084 121.340 121.223 0.054 0.000 2.276 582 L HA 0.479 4.850 4.340 0.053 0.000 0.286 582 L C 1.254 178.137 176.870 0.022 0.000 1.061 582 L CA -0.442 54.420 54.840 0.036 0.000 0.807 582 L CB 1.435 43.515 42.059 0.035 0.000 1.177 582 L HN 0.028 nan 8.230 nan 0.000 0.429 583 K N 3.487 123.896 120.400 0.014 0.000 2.399 583 K HA 0.175 4.527 4.320 0.053 0.000 0.204 583 K C -0.605 175.988 176.600 -0.011 0.000 1.023 583 K CA -0.011 56.281 56.287 0.009 0.000 1.127 583 K CB 0.439 32.946 32.500 0.010 0.000 0.856 583 K HN 0.568 nan 8.250 nan 0.000 0.514 584 K N -0.874 119.515 120.400 -0.018 0.000 3.040 584 K HA 0.163 4.515 4.320 0.053 0.000 0.300 584 K C -2.161 174.422 176.600 -0.029 0.000 1.092 584 K CA -0.970 55.292 56.287 -0.042 0.000 0.831 584 K CB 0.750 33.206 32.500 -0.074 0.000 1.469 584 K HN -0.205 nan 8.250 nan 0.000 0.365 585 D N 0.984 121.360 120.400 -0.040 0.000 2.375 585 D HA 0.321 4.993 4.640 0.053 0.000 0.241 585 D C -2.295 173.987 176.300 -0.029 0.000 1.361 585 D CA -1.860 52.134 54.000 -0.011 0.000 0.995 585 D CB 2.155 42.969 40.800 0.023 0.000 1.312 585 D HN 0.228 nan 8.370 nan 0.000 0.576 586 P HA -0.072 nan 4.420 nan 0.000 0.228 586 P C 1.282 178.571 177.300 -0.019 0.000 1.151 586 P CA 0.699 63.766 63.100 -0.055 0.000 0.770 586 P CB 0.207 31.885 31.700 -0.038 0.000 0.786 587 S N -1.062 114.660 115.700 0.036 0.000 2.500 587 S HA -0.076 4.426 4.470 0.053 0.000 0.239 587 S C 1.592 176.273 174.600 0.136 0.000 0.989 587 S CA 0.834 59.092 58.200 0.097 0.000 0.951 587 S CB -1.348 61.935 63.200 0.138 0.000 0.759 587 S HN 0.168 nan 8.310 nan 0.000 0.523 588 L N 1.134 122.396 121.223 0.065 0.000 2.509 588 L HA 0.231 4.603 4.340 0.053 0.000 0.222 588 L C 1.377 178.135 176.870 -0.188 0.000 1.123 588 L CA 0.065 54.937 54.840 0.053 0.000 0.856 588 L CB -0.181 41.892 42.059 0.024 0.000 0.985 588 L HN 0.321 nan 8.230 nan 0.000 0.456 589 S N -0.359 115.220 115.700 -0.202 0.000 2.554 589 S HA 0.298 4.800 4.470 0.053 0.000 0.278 589 S C 1.102 175.573 174.600 -0.215 0.000 1.242 589 S CA -0.629 57.392 58.200 -0.298 0.000 1.051 589 S CB 1.352 64.381 63.200 -0.286 0.000 0.986 589 S HN 0.172 nan 8.310 nan 0.000 0.502 590 L N 3.380 124.398 121.223 -0.343 0.000 2.093 590 L HA -0.032 4.340 4.340 0.053 0.000 0.208 590 L C 0.829 177.430 176.870 -0.448 0.000 1.085 590 L CA 1.303 55.837 54.840 -0.511 0.000 0.755 590 L CB -0.284 41.130 42.059 -1.075 0.000 0.904 590 L HN 0.782 nan 8.230 nan 0.000 0.435 591 Y N -2.661 117.625 120.300 -0.022 0.000 2.499 591 Y HA 0.341 4.923 4.550 0.053 0.000 0.253 591 Y C 2.048 177.966 175.900 0.030 0.000 1.105 591 Y CA -0.143 57.996 58.100 0.067 0.000 1.240 591 Y CB -0.438 38.109 38.460 0.144 0.000 1.289 591 Y HN -0.052 nan 8.280 nan 0.000 0.534 592 A N 0.629 123.470 122.820 0.034 0.000 1.940 592 A HA -0.072 4.280 4.320 0.053 0.000 0.219 592 A C 0.875 178.492 177.584 0.055 0.000 1.176 592 A CA 1.244 53.276 52.037 -0.010 0.000 0.631 592 A CB -0.688 18.255 19.000 -0.095 0.000 0.814 592 A HN 0.302 nan 8.150 nan 0.000 0.446 593 I N 0.829 121.439 120.570 0.067 0.000 2.359 593 I HA 0.262 4.464 4.170 0.053 0.000 0.284 593 I C -2.473 173.716 176.117 0.119 0.000 1.018 593 I CA -2.211 59.136 61.300 0.080 0.000 1.173 593 I CB 1.665 39.699 38.000 0.058 0.000 1.326 593 I HN -0.016 nan 8.210 nan 0.000 0.462 594 P HA -0.006 nan 4.420 nan 0.000 0.261 594 P C -0.514 176.862 177.300 0.128 0.000 1.173 594 P CA 0.287 63.481 63.100 0.158 0.000 0.760 594 P CB 0.363 32.140 31.700 0.128 0.000 0.783 595 D N 1.236 121.720 120.400 0.140 0.000 2.914 595 D HA 0.137 4.809 4.640 0.053 0.000 0.349 595 D C 0.405 176.766 176.300 0.102 0.000 1.540 595 D CA -0.490 53.573 54.000 0.105 0.000 0.778 595 D CB -0.419 40.438 40.800 0.095 0.000 1.213 595 D HN 0.310 nan 8.370 nan 0.000 0.451 596 G N 0.065 108.933 108.800 0.115 0.000 2.544 596 G HA2 0.379 4.371 3.960 0.053 0.000 0.242 596 G HA3 0.379 4.371 3.960 0.053 0.000 0.242 596 G C -0.651 174.289 174.900 0.066 0.000 1.247 596 G CA -0.059 45.105 45.100 0.105 0.000 0.840 596 G HN 0.218 nan 8.290 nan 0.000 0.578 597 D N 0.101 120.533 120.400 0.053 0.000 2.891 597 D HA 0.156 4.828 4.640 0.053 0.000 0.224 597 D C 0.836 177.150 176.300 0.024 0.000 1.321 597 D CA -0.490 53.528 54.000 0.029 0.000 0.929 597 D CB 1.758 42.568 40.800 0.017 0.000 1.551 597 D HN 0.368 nan 8.370 nan 0.000 0.574 598 V N 1.845 121.766 119.914 0.011 0.000 3.406 598 V HA 0.258 4.410 4.120 0.053 0.000 0.263 598 V C 1.026 177.103 176.094 -0.027 0.000 1.172 598 V CA 0.229 62.530 62.300 0.002 0.000 1.140 598 V CB -0.612 31.207 31.823 -0.007 0.000 0.784 598 V HN 0.422 nan 8.190 nan 0.000 0.467 599 K N 1.274 121.651 120.400 -0.037 0.000 2.447 599 K HA 0.368 4.720 4.320 0.053 0.000 0.281 599 K C 1.265 177.827 176.600 -0.063 0.000 1.031 599 K CA 1.053 57.297 56.287 -0.072 0.000 1.019 599 K CB 0.092 32.556 32.500 -0.061 0.000 0.918 599 K HN 0.721 nan 8.250 nan 0.000 0.476 600 G N 3.314 112.045 108.800 -0.116 0.000 2.195 600 G HA2 -0.217 3.775 3.960 0.053 0.000 0.246 600 G HA3 -0.217 3.775 3.960 0.053 0.000 0.246 600 G C 0.068 175.010 174.900 0.070 0.000 0.984 600 G CA -0.242 44.860 45.100 0.004 0.000 0.633 600 G HN 0.567 nan 8.290 nan 0.000 0.525 601 R N -0.103 120.408 120.500 0.018 0.000 2.726 601 R HA 0.640 5.012 4.340 0.053 0.000 0.272 601 R C 0.095 176.447 176.300 0.086 0.000 1.097 601 R CA -0.005 56.136 56.100 0.070 0.000 1.198 601 R CB 0.972 31.307 30.300 0.057 0.000 1.114 601 R HN 0.670 nan 8.270 nan 0.000 0.550 602 V N 0.631 120.617 119.914 0.120 0.000 2.789 602 V HA 0.460 4.612 4.120 0.053 0.000 0.311 602 V C -1.020 175.138 176.094 0.107 0.000 1.073 602 V CA -0.751 61.634 62.300 0.142 0.000 0.921 602 V CB 2.422 34.355 31.823 0.184 0.000 1.009 602 V HN 0.372 nan 8.190 nan 0.000 0.426 603 V N 5.704 125.675 119.914 0.095 0.000 2.555 603 V HA 0.794 4.946 4.120 0.053 0.000 0.302 603 V C 0.488 176.638 176.094 0.093 0.000 1.038 603 V CA -0.236 62.111 62.300 0.079 0.000 0.887 603 V CB 1.625 33.479 31.823 0.052 0.000 0.991 603 V HN 1.174 nan 8.190 nan 0.000 0.434 604 A N 5.938 128.822 122.820 0.107 0.000 2.328 604 A HA 0.750 5.102 4.320 0.053 0.000 0.284 604 A C -0.359 177.241 177.584 0.026 0.000 1.160 604 A CA -0.278 51.810 52.037 0.086 0.000 0.818 604 A CB 0.038 19.125 19.000 0.145 0.000 1.087 604 A HN 0.773 nan 8.150 nan 0.000 0.504 605 I N 3.510 124.088 120.570 0.015 0.000 2.328 605 I HA 0.153 4.355 4.170 0.053 0.000 0.287 605 I C -0.954 175.167 176.117 0.008 0.000 1.012 605 I CA -0.729 60.579 61.300 0.014 0.000 1.195 605 I CB 1.329 39.348 38.000 0.032 0.000 1.350 605 I HN 0.358 nan 8.210 nan 0.000 0.464 606 L N 7.678 128.895 121.223 -0.010 0.000 2.295 606 L HA 0.348 4.720 4.340 0.053 0.000 0.288 606 L C 0.169 177.128 176.870 0.149 0.000 1.079 606 L CA 0.154 55.032 54.840 0.063 0.000 0.830 606 L CB 0.252 42.219 42.059 -0.154 0.000 1.200 606 L HN 0.416 nan 8.230 nan 0.000 0.438 607 L N 3.582 124.939 121.223 0.223 0.000 2.439 607 L HA 0.362 4.734 4.340 0.053 0.000 0.261 607 L C 0.267 177.319 176.870 0.303 0.000 1.153 607 L CA -0.581 54.356 54.840 0.161 0.000 0.808 607 L CB 0.885 42.948 42.059 0.006 0.000 1.126 607 L HN 0.716 nan 8.230 nan 0.000 0.460 608 N N -1.704 117.083 118.700 0.144 0.000 2.577 608 N HA 0.215 4.987 4.740 0.053 0.000 0.285 608 N C -0.165 175.333 175.510 -0.021 0.000 1.309 608 N CA -0.786 52.391 53.050 0.211 0.000 0.798 608 N CB 0.769 39.369 38.487 0.188 0.000 1.463 608 N HN 0.541 nan 8.380 nan 0.000 0.518 609 D N -1.716 118.712 120.400 0.048 0.000 2.371 609 D HA -0.106 4.566 4.640 0.053 0.000 0.221 609 D C -0.241 176.025 176.300 -0.057 0.000 0.986 609 D CA 0.894 54.851 54.000 -0.071 0.000 0.899 609 D CB -0.024 40.814 40.800 0.064 0.000 0.902 609 D HN 0.781 nan 8.370 nan 0.000 0.530 610 E N 0.454 120.641 120.200 -0.022 0.000 3.626 610 E HA 0.252 4.634 4.350 0.053 0.000 0.245 610 E C -1.145 175.443 176.600 -0.019 0.000 1.236 610 E CA -0.452 55.934 56.400 -0.023 0.000 1.072 610 E CB 0.678 30.373 29.700 -0.009 0.000 1.309 610 E HN -0.119 nan 8.360 nan 0.000 0.400 611 V N 2.129 122.023 119.914 -0.033 0.000 2.788 611 V HA -0.001 4.151 4.120 0.053 0.000 0.307 611 V C 0.823 176.902 176.094 -0.024 0.000 1.069 611 V CA 0.398 62.684 62.300 -0.022 0.000 1.173 611 V CB 0.712 32.517 31.823 -0.031 0.000 0.925 611 V HN 0.516 nan 8.190 nan 0.000 0.492 612 R N 3.198 123.685 120.500 -0.022 0.000 2.291 612 R HA 0.094 4.466 4.340 0.053 0.000 0.333 612 R C 1.562 177.841 176.300 -0.035 0.000 1.082 612 R CA 0.491 56.573 56.100 -0.031 0.000 0.948 612 R CB 0.441 30.718 30.300 -0.038 0.000 1.009 612 R HN 0.989 nan 8.270 nan 0.000 0.460 613 S N 3.309 118.990 115.700 -0.032 0.000 2.399 613 S HA -0.197 4.305 4.470 0.053 0.000 0.231 613 S C 1.937 176.518 174.600 -0.030 0.000 1.022 613 S CA 0.859 59.041 58.200 -0.029 0.000 0.983 613 S CB -0.099 63.086 63.200 -0.025 0.000 0.803 613 S HN 0.686 nan 8.310 nan 0.000 0.480 614 A N 2.128 124.926 122.820 -0.036 0.000 1.969 614 A HA -0.077 4.275 4.320 0.053 0.000 0.218 614 A C 1.939 179.492 177.584 -0.052 0.000 1.169 614 A CA 1.542 53.556 52.037 -0.039 0.000 0.635 614 A CB -0.759 18.217 19.000 -0.040 0.000 0.810 614 A HN 0.467 nan 8.150 nan 0.000 0.445 615 D N -0.075 120.283 120.400 -0.070 0.000 2.084 615 D HA -0.131 4.541 4.640 0.053 0.000 0.194 615 D C 1.924 178.191 176.300 -0.055 0.000 0.990 615 D CA 0.850 54.789 54.000 -0.100 0.000 0.826 615 D CB -0.381 40.345 40.800 -0.124 0.000 0.971 615 D HN 0.343 nan 8.370 nan 0.000 0.453 616 L N 0.216 121.419 121.223 -0.033 0.000 2.046 616 L HA -0.180 4.192 4.340 0.053 0.000 0.208 616 L C 2.249 179.118 176.870 -0.003 0.000 1.077 616 L CA 0.766 55.600 54.840 -0.011 0.000 0.747 616 L CB -0.159 41.893 42.059 -0.012 0.000 0.896 616 L HN 0.091 nan 8.230 nan 0.000 0.432 617 L N -0.095 121.122 121.223 -0.010 0.000 2.017 617 L HA -0.165 4.206 4.340 0.053 0.000 0.208 617 L C 2.759 179.631 176.870 0.003 0.000 1.073 617 L CA 2.127 56.964 54.840 -0.004 0.000 0.745 617 L CB -1.140 40.913 42.059 -0.009 0.000 0.894 617 L HN 0.216 nan 8.230 nan 0.000 0.432 618 A N -0.790 122.028 122.820 -0.003 0.000 1.898 618 A HA -0.162 4.190 4.320 0.053 0.000 0.216 618 A C 2.290 179.898 177.584 0.040 0.000 1.181 618 A CA 1.678 53.722 52.037 0.011 0.000 0.620 618 A CB -0.680 18.317 19.000 -0.006 0.000 0.819 618 A HN 0.383 nan 8.150 nan 0.000 0.442 619 I N -0.174 120.424 120.570 0.047 0.000 2.099 619 I HA -0.305 3.897 4.170 0.053 0.000 0.239 619 I C 2.415 178.565 176.117 0.056 0.000 1.066 619 I CA 1.528 62.878 61.300 0.083 0.000 1.324 619 I CB -0.385 37.668 38.000 0.088 0.000 1.037 619 I HN 0.283 nan 8.210 nan 0.000 0.401 620 L N 0.330 121.575 121.223 0.037 0.000 2.083 620 L HA -0.218 4.154 4.340 0.053 0.000 0.209 620 L C 2.624 179.508 176.870 0.023 0.000 1.083 620 L CA 1.252 56.109 54.840 0.029 0.000 0.752 620 L CB -0.656 41.417 42.059 0.023 0.000 0.899 620 L HN 0.285 nan 8.230 nan 0.000 0.433 621 K N 0.765 121.178 120.400 0.021 0.000 2.026 621 K HA -0.196 4.156 4.320 0.053 0.000 0.208 621 K C 2.126 178.735 176.600 0.016 0.000 1.048 621 K CA 1.509 57.806 56.287 0.016 0.000 0.929 621 K CB -0.053 32.456 32.500 0.014 0.000 0.713 621 K HN 0.257 nan 8.250 nan 0.000 0.439 622 A N 1.528 124.363 122.820 0.025 0.000 1.898 622 A HA -0.070 4.282 4.320 0.053 0.000 0.216 622 A C 2.182 179.771 177.584 0.008 0.000 1.181 622 A CA 1.016 53.066 52.037 0.023 0.000 0.620 622 A CB -0.510 18.515 19.000 0.041 0.000 0.819 622 A HN 0.307 nan 8.150 nan 0.000 0.442 623 L N -0.530 120.699 121.223 0.011 0.000 1.989 623 L HA -0.239 4.133 4.340 0.053 0.000 0.211 623 L C 2.661 179.513 176.870 -0.030 0.000 1.071 623 L CA 2.086 56.920 54.840 -0.009 0.000 0.749 623 L CB -0.544 41.517 42.059 0.003 0.000 0.890 623 L HN 0.463 nan 8.230 nan 0.000 0.431 624 K N 0.375 120.766 120.400 -0.015 0.000 2.074 624 K HA -0.238 4.114 4.320 0.053 0.000 0.209 624 K C 2.040 178.625 176.600 -0.026 0.000 1.048 624 K CA 1.659 57.935 56.287 -0.018 0.000 0.926 624 K CB -0.132 32.369 32.500 0.001 0.000 0.713 624 K HN 0.306 nan 8.250 nan 0.000 0.444 625 A N 0.751 123.562 122.820 -0.016 0.000 2.067 625 A HA -0.091 4.261 4.320 0.053 0.000 0.219 625 A C 1.531 179.101 177.584 -0.024 0.000 1.158 625 A CA 1.230 53.258 52.037 -0.014 0.000 0.661 625 A CB -0.040 18.957 19.000 -0.004 0.000 0.801 625 A HN 0.192 nan 8.150 nan 0.000 0.452 626 K N -1.523 118.856 120.400 -0.035 0.000 2.373 626 K HA 0.225 4.577 4.320 0.053 0.000 0.202 626 K C 0.794 177.348 176.600 -0.076 0.000 1.025 626 K CA 0.579 56.840 56.287 -0.043 0.000 1.115 626 K CB 0.401 32.880 32.500 -0.036 0.000 0.858 626 K HN 0.649 nan 8.250 nan 0.000 0.525 627 G N 1.707 110.447 108.800 -0.101 0.000 2.160 627 G HA2 -0.220 3.772 3.960 0.053 0.000 0.244 627 G HA3 -0.220 3.772 3.960 0.053 0.000 0.244 627 G C 0.016 174.723 174.900 -0.322 0.000 1.022 627 G CA 0.082 45.078 45.100 -0.173 0.000 0.741 627 G HN 0.103 nan 8.290 nan 0.000 0.508 628 V N 0.851 120.612 119.914 -0.256 0.000 2.439 628 V HA 0.517 4.669 4.120 0.053 0.000 0.282 628 V C 0.778 176.688 176.094 -0.306 0.000 1.039 628 V CA -0.793 61.348 62.300 -0.265 0.000 0.913 628 V CB 1.131 32.892 31.823 -0.103 0.000 0.983 628 V HN 0.453 nan 8.190 nan 0.000 0.460 629 H N 1.811 120.892 119.070 0.019 0.000 2.508 629 H HA 0.759 5.348 4.556 0.054 0.000 0.358 629 H C 0.219 175.566 175.328 0.032 0.000 1.212 629 H CA 0.125 56.187 56.048 0.023 0.000 1.356 629 H CB 1.107 30.883 29.762 0.024 0.000 1.525 629 H HN 0.850 nan 8.280 nan 0.000 0.578 630 A N 1.080 124.004 122.820 0.174 0.000 2.401 630 A HA 0.546 4.898 4.320 0.053 0.000 0.310 630 A C -1.062 176.579 177.584 0.095 0.000 1.075 630 A CA -1.046 51.056 52.037 0.108 0.000 0.746 630 A CB 1.144 20.188 19.000 0.074 0.000 1.277 630 A HN 0.790 nan 8.150 nan 0.000 0.425 631 K N 2.338 122.786 120.400 0.080 0.000 2.426 631 K HA 0.668 5.020 4.320 0.053 0.000 0.254 631 K C -1.540 175.084 176.600 0.039 0.000 0.936 631 K CA -0.529 55.795 56.287 0.060 0.000 0.801 631 K CB 1.474 34.017 32.500 0.072 0.000 1.139 631 K HN 0.525 nan 8.250 nan 0.000 0.424 632 L N 4.202 125.439 121.223 0.022 0.000 2.278 632 L HA 0.294 4.666 4.340 0.053 0.000 0.287 632 L C -0.708 176.155 176.870 -0.011 0.000 1.072 632 L CA -0.988 53.855 54.840 0.006 0.000 0.819 632 L CB 0.331 42.387 42.059 -0.005 0.000 1.176 632 L HN 0.480 nan 8.230 nan 0.000 0.435 633 L N 4.398 125.612 121.223 -0.015 0.000 2.342 633 L HA 0.615 4.987 4.340 0.053 0.000 0.271 633 L C -0.483 176.286 176.870 -0.167 0.000 1.008 633 L CA -0.388 54.390 54.840 -0.103 0.000 0.818 633 L CB 1.658 43.668 42.059 -0.082 0.000 1.296 633 L HN 0.356 nan 8.230 nan 0.000 0.427 634 Y N -0.679 119.195 120.300 -0.711 0.000 2.967 634 Y HA 0.309 4.891 4.550 0.053 0.000 0.311 634 Y C 0.847 176.064 175.900 -1.139 0.000 1.555 634 Y CA -0.337 57.271 58.100 -0.821 0.000 1.084 634 Y CB 1.233 39.518 38.460 -0.293 0.000 1.508 634 Y HN 0.533 nan 8.280 nan 0.000 0.457 635 S N 0.580 115.508 115.700 -1.287 0.000 2.558 635 S HA 0.300 4.802 4.470 0.053 0.000 0.217 635 S C -0.056 174.298 174.600 -0.410 0.000 0.975 635 S CA 0.300 58.050 58.200 -0.749 0.000 0.912 635 S CB -0.128 62.712 63.200 -0.599 0.000 0.776 635 S HN 0.599 nan 8.310 nan 0.000 0.526 636 R N -1.278 119.052 120.500 -0.283 0.000 2.747 636 R HA 0.606 4.978 4.340 0.053 0.000 0.272 636 R C -0.899 175.404 176.300 0.005 0.000 1.032 636 R CA -1.119 54.933 56.100 -0.079 0.000 0.896 636 R CB 0.398 30.690 30.300 -0.014 0.000 1.253 636 R HN -0.079 nan 8.270 nan 0.000 0.461 637 M N 0.178 119.780 119.600 0.003 0.000 2.114 637 M HA 0.483 4.995 4.480 0.053 0.000 0.280 637 M C 1.054 177.371 176.300 0.028 0.000 1.209 637 M CA 1.097 56.403 55.300 0.010 0.000 1.044 637 M CB 0.548 33.146 32.600 -0.004 0.000 1.404 637 M HN 1.043 nan 8.290 nan 0.000 0.499 638 G N 0.978 109.784 108.800 0.010 0.000 2.846 638 G HA2 -0.119 3.873 3.960 0.053 0.000 0.225 638 G HA3 -0.119 3.873 3.960 0.053 0.000 0.225 638 G C -0.995 173.895 174.900 -0.016 0.000 1.285 638 G CA -0.072 45.029 45.100 0.001 0.000 1.055 638 G HN 0.767 nan 8.290 nan 0.000 0.579 639 E N -0.762 119.419 120.200 -0.031 0.000 2.413 639 E HA 0.648 5.030 4.350 0.053 0.000 0.277 639 E C -0.467 176.061 176.600 -0.121 0.000 0.958 639 E CA -0.737 55.621 56.400 -0.069 0.000 0.779 639 E CB 2.695 32.365 29.700 -0.051 0.000 1.278 639 E HN 1.455 nan 8.360 nan 0.000 0.456 640 V N -1.947 117.857 119.914 -0.184 0.000 3.158 640 V HA 0.777 4.929 4.120 0.053 0.000 0.315 640 V C -0.462 175.548 176.094 -0.139 0.000 1.148 640 V CA -0.694 61.474 62.300 -0.220 0.000 1.042 640 V CB 1.851 33.426 31.823 -0.414 0.000 1.101 640 V HN 0.734 nan 8.190 nan 0.000 0.448 641 T N 1.768 116.254 114.554 -0.114 0.000 2.792 641 T HA 0.780 5.162 4.350 0.053 0.000 0.280 641 T C 0.238 174.898 174.700 -0.068 0.000 0.990 641 T CA 0.278 62.334 62.100 -0.075 0.000 0.960 641 T CB 1.335 70.172 68.868 -0.052 0.000 0.939 641 T HN 1.333 nan 8.240 nan 0.000 0.439 642 A N 2.284 125.071 122.820 -0.056 0.000 2.346 642 A HA 0.293 4.645 4.320 0.053 0.000 0.255 642 A C 1.568 179.132 177.584 -0.034 0.000 1.113 642 A CA -0.135 51.875 52.037 -0.045 0.000 0.798 642 A CB -0.023 18.954 19.000 -0.038 0.000 1.073 642 A HN 0.918 nan 8.150 nan 0.000 0.502 643 D N -0.101 120.282 120.400 -0.029 0.000 2.182 643 D HA -0.187 4.485 4.640 0.053 0.000 0.201 643 D C 0.534 176.821 176.300 -0.021 0.000 0.986 643 D CA 1.611 55.597 54.000 -0.023 0.000 0.847 643 D CB -0.276 40.511 40.800 -0.021 0.000 0.942 643 D HN 0.605 nan 8.370 nan 0.000 0.467 644 D N -1.507 118.880 120.400 -0.022 0.000 2.525 644 D HA 0.252 4.924 4.640 0.053 0.000 0.229 644 D C 1.509 177.797 176.300 -0.019 0.000 1.202 644 D CA 0.087 54.075 54.000 -0.019 0.000 0.828 644 D CB 0.006 40.794 40.800 -0.019 0.000 1.008 644 D HN 0.329 nan 8.370 nan 0.000 0.493 645 G N 0.301 109.088 108.800 -0.022 0.000 2.253 645 G HA2 -0.297 3.695 3.960 0.053 0.000 0.251 645 G HA3 -0.297 3.695 3.960 0.053 0.000 0.251 645 G C 0.546 175.431 174.900 -0.024 0.000 0.998 645 G CA 0.343 45.430 45.100 -0.021 0.000 0.621 645 G HN 0.461 nan 8.290 nan 0.000 0.524 646 T N 1.470 116.009 114.554 -0.025 0.000 2.871 646 T HA 0.389 4.771 4.350 0.053 0.000 0.296 646 T C 0.504 175.183 174.700 -0.034 0.000 0.998 646 T CA 0.196 62.281 62.100 -0.026 0.000 1.162 646 T CB 2.156 71.009 68.868 -0.024 0.000 0.947 646 T HN 0.457 nan 8.240 nan 0.000 0.536 647 V N 5.439 125.334 119.914 -0.032 0.000 2.406 647 V HA 0.241 4.393 4.120 0.053 0.000 0.272 647 V C -0.258 175.811 176.094 -0.041 0.000 1.043 647 V CA -0.707 61.570 62.300 -0.038 0.000 0.915 647 V CB 1.011 32.816 31.823 -0.030 0.000 0.988 647 V HN 0.558 nan 8.190 nan 0.000 0.466 648 L N 9.355 130.543 121.223 -0.058 0.000 2.276 648 L HA 0.528 4.900 4.340 0.053 0.000 0.286 648 L C -2.144 174.689 176.870 -0.062 0.000 1.024 648 L CA -2.445 52.360 54.840 -0.059 0.000 0.826 648 L CB 1.483 43.495 42.059 -0.077 0.000 1.211 648 L HN 0.420 nan 8.230 nan 0.000 0.422 649 P HA 0.285 nan 4.420 nan 0.000 0.280 649 P C -0.352 176.927 177.300 -0.035 0.000 1.244 649 P CA -0.322 62.758 63.100 -0.034 0.000 0.784 649 P CB 1.192 32.881 31.700 -0.019 0.000 0.913 650 I N 2.324 122.873 120.570 -0.034 0.000 2.371 650 I HA 0.181 4.383 4.170 0.053 0.000 0.290 650 I C 1.648 177.755 176.117 -0.017 0.000 1.028 650 I CA -0.289 60.994 61.300 -0.028 0.000 1.345 650 I CB 1.281 39.272 38.000 -0.016 0.000 1.407 650 I HN 0.376 nan 8.210 nan 0.000 0.501 651 A N 5.316 128.128 122.820 -0.013 0.000 1.898 651 A HA 0.525 4.877 4.320 0.053 0.000 0.214 651 A C 0.999 178.578 177.584 -0.007 0.000 1.183 651 A CA 1.316 53.351 52.037 -0.003 0.000 0.622 651 A CB -0.013 18.993 19.000 0.010 0.000 0.824 651 A HN 0.806 nan 8.150 nan 0.000 0.444 652 A N -2.008 120.798 122.820 -0.023 0.000 2.601 652 A HA 0.578 4.930 4.320 0.053 0.000 0.291 652 A C -0.079 177.447 177.584 -0.096 0.000 1.075 652 A CA 0.097 52.118 52.037 -0.028 0.000 0.671 652 A CB -0.104 18.905 19.000 0.016 0.000 1.277 652 A HN 0.770 nan 8.150 nan 0.000 0.417 653 T N -1.515 112.977 114.554 -0.103 0.000 2.874 653 T HA 0.548 4.930 4.350 0.053 0.000 0.281 653 T C 0.967 175.591 174.700 -0.127 0.000 0.994 653 T CA -0.042 61.924 62.100 -0.224 0.000 1.015 653 T CB 0.093 68.878 68.868 -0.139 0.000 1.028 653 T HN 0.479 nan 8.240 nan 0.000 0.523 654 F N 0.766 120.732 119.950 0.026 0.000 2.115 654 F HA -0.117 4.442 4.527 0.053 0.000 0.300 654 F C 2.899 178.828 175.800 0.215 0.000 1.092 654 F CA 1.325 59.388 58.000 0.106 0.000 1.245 654 F CB -0.626 38.416 39.000 0.070 0.000 0.995 654 F HN 0.723 nan 8.300 nan 0.000 0.481 655 A N 0.003 122.982 122.820 0.265 0.000 2.021 655 A HA 0.117 4.469 4.320 0.053 0.000 0.216 655 A C 2.404 180.058 177.584 0.116 0.000 1.163 655 A CA 1.211 53.351 52.037 0.171 0.000 0.676 655 A CB -1.286 17.777 19.000 0.104 0.000 0.818 655 A HN 0.382 nan 8.150 nan 0.000 0.453 656 G N -0.667 108.188 108.800 0.092 0.000 2.421 656 G HA2 0.280 4.272 3.960 0.053 0.000 0.217 656 G HA3 0.280 4.272 3.960 0.053 0.000 0.217 656 G C 0.680 175.630 174.900 0.084 0.000 1.143 656 G CA 0.955 46.092 45.100 0.060 0.000 0.784 656 G HN 1.030 nan 8.290 nan 0.000 0.541 657 A N 0.864 123.769 122.820 0.143 0.000 3.030 657 A HA 0.707 5.059 4.320 0.053 0.000 0.335 657 A C -2.692 175.057 177.584 0.275 0.000 1.089 657 A CA -1.160 50.978 52.037 0.169 0.000 0.807 657 A CB 1.289 20.380 19.000 0.152 0.000 1.099 657 A HN 0.098 nan 8.150 nan 0.000 0.474 658 P HA 0.070 nan 4.420 nan 0.000 0.271 658 P C 1.347 178.496 177.300 -0.251 0.000 1.233 658 P CA 0.183 63.256 63.100 -0.044 0.000 0.789 658 P CB 0.779 32.432 31.700 -0.079 0.000 0.951 659 S N 0.560 115.739 115.700 -0.868 0.000 2.469 659 S HA -0.135 4.367 4.470 0.053 0.000 0.238 659 S C 1.766 176.223 174.600 -0.239 0.000 0.998 659 S CA 0.958 58.773 58.200 -0.642 0.000 0.957 659 S CB -1.313 61.383 63.200 -0.839 0.000 0.764 659 S HN 0.326 nan 8.310 nan 0.000 0.514 660 L N 1.812 122.901 121.223 -0.223 0.000 2.129 660 L HA -0.101 4.271 4.340 0.053 0.000 0.212 660 L C 2.928 179.631 176.870 -0.280 0.000 1.087 660 L CA 1.679 56.382 54.840 -0.228 0.000 0.757 660 L CB -1.386 40.516 42.059 -0.262 0.000 0.896 660 L HN 0.644 nan 8.230 nan 0.000 0.434 661 T N -3.295 111.165 114.554 -0.156 0.000 3.129 661 T HA 0.216 4.598 4.350 0.053 0.000 0.251 661 T C 0.361 175.156 174.700 0.158 0.000 1.117 661 T CA 0.150 62.239 62.100 -0.019 0.000 1.034 661 T CB -0.314 68.637 68.868 0.139 0.000 0.968 661 T HN 0.156 nan 8.240 nan 0.000 0.526 662 V N -2.828 117.139 119.914 0.088 0.000 3.126 662 V HA 0.580 4.732 4.120 0.053 0.000 0.314 662 V C -0.221 175.920 176.094 0.079 0.000 1.138 662 V CA -0.973 61.404 62.300 0.129 0.000 1.034 662 V CB 2.155 34.070 31.823 0.153 0.000 1.075 662 V HN -0.020 nan 8.190 nan 0.000 0.442 663 D N 0.839 121.287 120.400 0.081 0.000 2.366 663 D HA 0.504 5.176 4.640 0.053 0.000 0.205 663 D C 0.550 176.839 176.300 -0.019 0.000 1.022 663 D CA 1.490 55.513 54.000 0.038 0.000 0.868 663 D CB 1.544 42.387 40.800 0.072 0.000 0.953 663 D HN 0.989 nan 8.370 nan 0.000 0.514 664 A N 0.051 122.876 122.820 0.008 0.000 2.586 664 A HA 0.554 4.906 4.320 0.053 0.000 0.290 664 A C -1.606 175.997 177.584 0.032 0.000 1.086 664 A CA -0.539 51.488 52.037 -0.016 0.000 0.665 664 A CB 1.487 20.463 19.000 -0.040 0.000 1.279 664 A HN -0.109 nan 8.150 nan 0.000 0.423 665 V N 0.859 120.785 119.914 0.020 0.000 2.709 665 V HA 0.600 4.752 4.120 0.053 0.000 0.308 665 V C -0.765 175.337 176.094 0.013 0.000 1.062 665 V CA -0.242 62.084 62.300 0.043 0.000 0.901 665 V CB 1.649 33.517 31.823 0.075 0.000 1.003 665 V HN 0.713 nan 8.190 nan 0.000 0.425 666 I N 3.796 124.382 120.570 0.025 0.000 2.545 666 I HA 0.558 4.760 4.170 0.053 0.000 0.292 666 I C -0.947 175.197 176.117 0.046 0.000 1.040 666 I CA -0.996 60.346 61.300 0.069 0.000 1.068 666 I CB 2.367 40.439 38.000 0.119 0.000 1.251 666 I HN 0.270 nan 8.210 nan 0.000 0.424 667 V N 7.164 127.121 119.914 0.071 0.000 2.326 667 V HA 0.338 4.490 4.120 0.053 0.000 0.281 667 V C -2.156 173.990 176.094 0.087 0.000 1.015 667 V CA -1.601 60.726 62.300 0.046 0.000 0.823 667 V CB 1.220 33.045 31.823 0.004 0.000 1.009 667 V HN 0.557 nan 8.190 nan 0.000 0.436 668 P HA 0.402 nan 4.420 nan 0.000 0.276 668 P C -0.092 177.224 177.300 0.027 0.000 1.261 668 P CA -0.202 62.908 63.100 0.017 0.000 0.800 668 P CB 0.991 32.692 31.700 0.002 0.000 1.066 669 A N 0.252 123.063 122.820 -0.015 0.000 2.262 669 A HA 0.635 4.987 4.320 0.053 0.000 0.273 669 A C 0.891 178.480 177.584 0.009 0.000 1.202 669 A CA 0.746 52.781 52.037 -0.003 0.000 0.811 669 A CB -1.057 17.919 19.000 -0.039 0.000 1.159 669 A HN 0.866 nan 8.150 nan 0.000 0.505 670 G N -0.694 108.111 108.800 0.007 0.000 2.217 670 G HA2 -0.149 3.843 3.960 0.053 0.000 0.173 670 G HA3 -0.149 3.843 3.960 0.053 0.000 0.173 670 G C -0.037 174.873 174.900 0.016 0.000 1.324 670 G CA 0.018 45.122 45.100 0.007 0.000 1.225 670 G HN 1.073 nan 8.290 nan 0.000 0.494 671 N N 1.761 120.478 118.700 0.027 0.000 3.103 671 N HA 0.120 4.892 4.740 0.053 0.000 0.305 671 N C 1.583 177.127 175.510 0.058 0.000 1.232 671 N CA -0.485 52.586 53.050 0.034 0.000 1.190 671 N CB -0.250 38.259 38.487 0.037 0.000 1.461 671 N HN 0.380 nan 8.380 nan 0.000 0.538 672 I N 1.444 122.036 120.570 0.038 0.000 2.423 672 I HA -0.239 3.963 4.170 0.053 0.000 0.254 672 I C 2.478 178.595 176.117 0.000 0.000 1.151 672 I CA 0.683 62.004 61.300 0.035 0.000 1.421 672 I CB -1.572 36.406 38.000 -0.036 0.000 1.079 672 I HN 0.405 nan 8.210 nan 0.000 0.431 673 A N 0.943 123.756 122.820 -0.011 0.000 1.948 673 A HA -0.312 4.040 4.320 0.053 0.000 0.220 673 A C 2.115 179.715 177.584 0.027 0.000 1.177 673 A CA 2.308 54.337 52.037 -0.015 0.000 0.636 673 A CB -0.827 18.168 19.000 -0.009 0.000 0.815 673 A HN 0.458 nan 8.150 nan 0.000 0.449 674 D N 0.292 120.735 120.400 0.073 0.000 2.123 674 D HA -0.158 4.514 4.640 0.053 0.000 0.196 674 D C 1.574 177.955 176.300 0.135 0.000 0.992 674 D CA 1.832 55.903 54.000 0.118 0.000 0.833 674 D CB -0.239 40.667 40.800 0.177 0.000 0.954 674 D HN 0.648 nan 8.370 nan 0.000 0.455 675 I N -3.734 116.937 120.570 0.168 0.000 4.082 675 I HA 0.471 4.673 4.170 0.053 0.000 0.337 675 I C 1.878 178.114 176.117 0.198 0.000 1.352 675 I CA -0.000 61.420 61.300 0.201 0.000 1.097 675 I CB 0.054 38.222 38.000 0.281 0.000 1.048 675 I HN -0.072 nan 8.210 nan 0.000 0.393 676 A N 1.678 124.531 122.820 0.055 0.000 2.024 676 A HA -0.162 4.190 4.320 0.053 0.000 0.220 676 A C 1.435 179.000 177.584 -0.031 0.000 1.164 676 A CA 1.946 53.904 52.037 -0.133 0.000 0.643 676 A CB -0.411 18.446 19.000 -0.237 0.000 0.806 676 A HN 0.549 nan 8.150 nan 0.000 0.451 677 D N -0.930 119.480 120.400 0.017 0.000 2.501 677 D HA 0.045 4.717 4.640 0.053 0.000 0.224 677 D C -0.199 176.125 176.300 0.041 0.000 1.202 677 D CA -0.259 53.754 54.000 0.021 0.000 0.829 677 D CB -0.204 40.598 40.800 0.002 0.000 1.023 677 D HN 0.305 nan 8.370 nan 0.000 0.499 678 N N 1.238 119.976 118.700 0.064 0.000 2.420 678 N HA 0.041 4.813 4.740 0.053 0.000 0.262 678 N C 1.378 176.916 175.510 0.047 0.000 1.144 678 N CA 0.057 53.141 53.050 0.056 0.000 0.952 678 N CB 1.506 40.034 38.487 0.068 0.000 1.081 678 N HN 0.024 nan 8.380 nan 0.000 0.480 679 G N 3.364 112.193 108.800 0.047 0.000 2.440 679 G HA2 -0.260 3.732 3.960 0.053 0.000 0.218 679 G HA3 -0.260 3.732 3.960 0.053 0.000 0.218 679 G C 0.985 175.930 174.900 0.074 0.000 1.154 679 G CA 0.544 45.676 45.100 0.053 0.000 0.767 679 G HN 0.587 nan 8.290 nan 0.000 0.552 680 D N 0.955 121.401 120.400 0.077 0.000 2.097 680 D HA -0.032 4.640 4.640 0.053 0.000 0.195 680 D C 2.825 179.096 176.300 -0.048 0.000 0.989 680 D CA 1.325 55.398 54.000 0.122 0.000 0.827 680 D CB -0.498 40.447 40.800 0.241 0.000 0.966 680 D HN 0.304 nan 8.370 nan 0.000 0.456 681 A N 1.008 123.617 122.820 -0.352 0.000 1.873 681 A HA -0.183 4.169 4.320 0.053 0.000 0.215 681 A C 2.027 179.382 177.584 -0.382 0.000 1.186 681 A CA 1.274 52.841 52.037 -0.783 0.000 0.616 681 A CB -0.504 17.995 19.000 -0.835 0.000 0.823 681 A HN 0.146 nan 8.150 nan 0.000 0.442 682 N N -1.349 117.288 118.700 -0.104 0.000 2.043 682 N HA -0.209 4.563 4.740 0.053 0.000 0.193 682 N C 1.720 177.220 175.510 -0.017 0.000 1.037 682 N CA 1.922 54.976 53.050 0.006 0.000 0.851 682 N CB -0.529 38.030 38.487 0.120 0.000 1.027 682 N HN 0.680 nan 8.380 nan 0.000 0.422 683 Y N 0.595 120.861 120.300 -0.057 0.000 2.224 683 Y HA -0.288 4.294 4.550 0.053 0.000 0.289 683 Y C 2.419 178.277 175.900 -0.070 0.000 1.146 683 Y CA 1.314 59.381 58.100 -0.055 0.000 1.182 683 Y CB -0.405 38.030 38.460 -0.041 0.000 0.983 683 Y HN 0.050 nan 8.280 nan 0.000 0.524 684 Y N -0.090 120.075 120.300 -0.225 0.000 2.114 684 Y HA -0.335 4.247 4.550 0.053 0.000 0.282 684 Y C 2.088 177.790 175.900 -0.329 0.000 1.165 684 Y CA 1.826 59.767 58.100 -0.266 0.000 1.148 684 Y CB -0.392 37.916 38.460 -0.255 0.000 0.972 684 Y HN 0.119 nan 8.280 nan 0.000 0.504 685 L N -0.729 120.416 121.223 -0.131 0.000 2.156 685 L HA -0.199 4.173 4.340 0.053 0.000 0.208 685 L C 2.255 179.007 176.870 -0.198 0.000 1.095 685 L CA 1.571 56.320 54.840 -0.153 0.000 0.770 685 L CB -1.338 40.601 42.059 -0.201 0.000 0.914 685 L HN 0.412 nan 8.230 nan 0.000 0.439 686 M N -0.721 118.707 119.600 -0.288 0.000 2.132 686 M HA -0.208 4.304 4.480 0.053 0.000 0.263 686 M C 2.160 178.211 176.300 -0.416 0.000 1.065 686 M CA 1.520 56.644 55.300 -0.293 0.000 1.122 686 M CB -0.298 32.131 32.600 -0.285 0.000 1.365 686 M HN 0.225 nan 8.290 nan 0.000 0.411 687 E N 0.551 120.319 120.200 -0.721 0.000 2.047 687 E HA -0.169 4.213 4.350 0.053 0.000 0.191 687 E C 1.995 178.224 176.600 -0.618 0.000 0.987 687 E CA 1.245 57.175 56.400 -0.783 0.000 0.799 687 E CB 0.035 29.238 29.700 -0.829 0.000 0.752 687 E HN 0.463 nan 8.360 nan 0.000 0.449 688 A N 0.239 122.819 122.820 -0.399 0.000 1.933 688 A HA -0.200 4.152 4.320 0.053 0.000 0.218 688 A C 2.012 179.492 177.584 -0.173 0.000 1.175 688 A CA 1.376 53.274 52.037 -0.232 0.000 0.628 688 A CB -0.835 18.090 19.000 -0.124 0.000 0.814 688 A HN 0.537 nan 8.150 nan 0.000 0.444 689 Y N 0.526 120.663 120.300 -0.271 0.000 2.163 689 Y HA -0.186 4.396 4.550 0.053 0.000 0.288 689 Y C 2.387 178.157 175.900 -0.216 0.000 1.136 689 Y CA 2.253 60.225 58.100 -0.212 0.000 1.147 689 Y CB -0.255 38.098 38.460 -0.178 0.000 0.987 689 Y HN 0.319 nan 8.280 nan 0.000 0.509 690 K N -0.664 119.599 120.400 -0.228 0.000 2.063 690 K HA -0.229 4.123 4.320 0.053 0.000 0.208 690 K C 1.216 177.687 176.600 -0.215 0.000 1.048 690 K CA 2.056 58.181 56.287 -0.271 0.000 0.928 690 K CB -0.448 31.848 32.500 -0.340 0.000 0.713 690 K HN 0.574 nan 8.250 nan 0.000 0.442 691 H N 0.296 119.249 119.070 -0.195 0.000 2.536 691 H HA 0.159 4.747 4.556 0.053 0.000 0.276 691 H C -0.083 175.090 175.328 -0.258 0.000 1.019 691 H CA 0.224 56.156 56.048 -0.193 0.000 1.159 691 H CB 0.049 29.694 29.762 -0.195 0.000 1.373 691 H HN 0.131 nan 8.280 nan 0.000 0.584 692 L N -0.051 121.028 121.223 -0.240 0.000 3.898 692 L HA -0.267 4.105 4.340 0.053 0.000 0.407 692 L C -0.376 176.237 176.870 -0.428 0.000 1.207 692 L CA 0.552 55.156 54.840 -0.395 0.000 0.931 692 L CB -1.781 40.010 42.059 -0.447 0.000 2.014 692 L HN 0.281 nan 8.230 nan 0.000 0.858 693 K N 0.601 120.819 120.400 -0.304 0.000 2.118 693 K HA 0.511 4.863 4.320 0.053 0.000 0.267 693 K C -2.165 174.305 176.600 -0.217 0.000 0.991 693 K CA -1.827 54.300 56.287 -0.267 0.000 0.916 693 K CB 0.803 33.200 32.500 -0.171 0.000 1.041 693 K HN -0.230 nan 8.250 nan 0.000 0.455 694 P HA 0.020 nan 4.420 nan 0.000 0.265 694 P C -0.797 176.440 177.300 -0.106 0.000 1.193 694 P CA 0.512 63.515 63.100 -0.162 0.000 0.765 694 P CB 0.423 32.027 31.700 -0.160 0.000 0.823 695 I N 1.982 122.505 120.570 -0.080 0.000 2.545 695 I HA 0.632 4.834 4.170 0.053 0.000 0.292 695 I C -0.324 175.751 176.117 -0.069 0.000 1.040 695 I CA -0.879 60.393 61.300 -0.047 0.000 1.068 695 I CB 2.240 40.238 38.000 -0.003 0.000 1.251 695 I HN 0.261 nan 8.210 nan 0.000 0.424 696 A N 7.534 130.323 122.820 -0.052 0.000 2.343 696 A HA 0.875 5.227 4.320 0.053 0.000 0.308 696 A C -1.182 176.514 177.584 0.186 0.000 1.092 696 A CA -0.421 51.576 52.037 -0.067 0.000 0.751 696 A CB 1.078 19.880 19.000 -0.330 0.000 1.203 696 A HN 0.658 nan 8.150 nan 0.000 0.452 697 L N 2.193 123.588 121.223 0.287 0.000 2.376 697 L HA 0.721 5.092 4.340 0.053 0.000 0.275 697 L C 0.217 177.281 176.870 0.322 0.000 0.987 697 L CA -0.554 54.452 54.840 0.277 0.000 0.828 697 L CB 2.020 44.184 42.059 0.177 0.000 1.249 697 L HN 0.792 nan 8.230 nan 0.000 0.409 698 A N 2.303 125.207 122.820 0.141 0.000 2.317 698 A HA 0.841 5.193 4.320 0.053 0.000 0.327 698 A C 0.681 178.238 177.584 -0.046 0.000 1.178 698 A CA 0.294 52.269 52.037 -0.103 0.000 0.817 698 A CB 1.180 19.918 19.000 -0.437 0.000 1.189 698 A HN 0.981 nan 8.150 nan 0.000 0.489 699 G N 1.842 110.610 108.800 -0.054 0.000 2.651 699 G HA2 -0.360 3.632 3.960 0.053 0.000 0.315 699 G HA3 -0.360 3.632 3.960 0.053 0.000 0.315 699 G C 0.679 175.575 174.900 -0.006 0.000 1.258 699 G CA 0.870 45.950 45.100 -0.033 0.000 1.002 699 G HN 0.703 nan 8.290 nan 0.000 0.551 700 D N 1.273 121.667 120.400 -0.011 0.000 2.263 700 D HA 0.098 4.770 4.640 0.053 0.000 0.208 700 D C 2.696 178.996 176.300 -0.001 0.000 0.971 700 D CA 1.572 55.562 54.000 -0.017 0.000 0.867 700 D CB -0.659 40.126 40.800 -0.025 0.000 0.929 700 D HN 0.740 nan 8.370 nan 0.000 0.492 701 A N 0.754 123.613 122.820 0.066 0.000 2.076 701 A HA -0.196 4.156 4.320 0.053 0.000 0.220 701 A C 2.081 179.777 177.584 0.187 0.000 1.160 701 A CA 0.885 53.039 52.037 0.194 0.000 0.653 701 A CB -0.453 18.674 19.000 0.212 0.000 0.801 701 A HN 0.153 nan 8.150 nan 0.000 0.455 702 R N -0.204 120.350 120.500 0.092 0.000 2.261 702 R HA -0.140 4.232 4.340 0.053 0.000 0.236 702 R C 1.863 178.166 176.300 0.006 0.000 1.141 702 R CA 1.360 57.497 56.100 0.061 0.000 1.001 702 R CB -0.216 30.108 30.300 0.039 0.000 0.866 702 R HN 0.519 nan 8.270 nan 0.000 0.468 703 K N -0.212 120.145 120.400 -0.072 0.000 2.152 703 K HA -0.157 4.195 4.320 0.053 0.000 0.206 703 K C 1.552 178.024 176.600 -0.213 0.000 1.048 703 K CA 1.328 57.508 56.287 -0.180 0.000 0.933 703 K CB -0.156 32.171 32.500 -0.288 0.000 0.721 703 K HN 0.208 nan 8.250 nan 0.000 0.447 704 F N 1.562 121.488 119.950 -0.041 0.000 2.494 704 F HA -0.137 4.422 4.527 0.054 0.000 0.298 704 F C 2.062 177.813 175.800 -0.081 0.000 1.106 704 F CA 0.881 58.845 58.000 -0.060 0.000 1.452 704 F CB -0.106 38.857 39.000 -0.061 0.000 1.085 704 F HN -0.029 nan 8.300 nan 0.000 0.569 705 K N 0.311 120.749 120.400 0.064 0.000 2.113 705 K HA -0.227 4.125 4.320 0.053 0.000 0.208 705 K C 2.359 178.931 176.600 -0.047 0.000 1.047 705 K CA 1.195 57.475 56.287 -0.010 0.000 0.928 705 K CB -0.399 32.092 32.500 -0.014 0.000 0.716 705 K HN 0.283 nan 8.250 nan 0.000 0.446 706 A N 0.504 123.299 122.820 -0.041 0.000 1.902 706 A HA -0.206 4.146 4.320 0.053 0.000 0.217 706 A C 2.247 179.802 177.584 -0.048 0.000 1.181 706 A CA 2.233 54.240 52.037 -0.050 0.000 0.623 706 A CB -1.042 17.925 19.000 -0.055 0.000 0.818 706 A HN 0.339 nan 8.150 nan 0.000 0.443 707 T N 0.170 114.715 114.554 -0.016 0.000 2.803 707 T HA -0.103 4.279 4.350 0.053 0.000 0.269 707 T C 1.268 175.916 174.700 -0.086 0.000 1.052 707 T CA 1.601 63.696 62.100 -0.009 0.000 1.136 707 T CB -0.575 68.341 68.868 0.080 0.000 0.864 707 T HN 0.637 nan 8.240 nan 0.000 0.467 708 I N -2.454 118.014 120.570 -0.170 0.000 3.889 708 I HA 0.499 4.701 4.170 0.053 0.000 0.332 708 I C 0.101 175.991 176.117 -0.378 0.000 1.493 708 I CA -0.675 60.400 61.300 -0.376 0.000 1.158 708 I CB -0.091 37.502 38.000 -0.679 0.000 1.117 708 I HN -0.081 nan 8.210 nan 0.000 0.411 709 K N 1.868 122.154 120.400 -0.190 0.000 3.148 709 K HA -0.111 4.240 4.320 0.053 0.000 0.267 709 K C -0.439 176.091 176.600 -0.117 0.000 0.996 709 K CA 0.531 56.746 56.287 -0.121 0.000 0.737 709 K CB -1.129 31.324 32.500 -0.079 0.000 1.308 709 K HN 0.440 nan 8.250 nan 0.000 0.470 710 I N 0.735 121.232 120.570 -0.121 0.000 2.365 710 I HA 0.316 4.518 4.170 0.053 0.000 0.291 710 I C 1.296 177.389 176.117 -0.040 0.000 1.004 710 I CA -0.764 60.488 61.300 -0.080 0.000 1.311 710 I CB 0.808 38.759 38.000 -0.083 0.000 1.401 710 I HN 0.287 nan 8.210 nan 0.000 0.491 711 A N 4.851 127.659 122.820 -0.020 0.000 2.366 711 A HA 0.166 4.518 4.320 0.053 0.000 0.249 711 A C 0.946 178.525 177.584 -0.008 0.000 1.084 711 A CA -0.265 51.765 52.037 -0.011 0.000 0.794 711 A CB 0.173 19.171 19.000 -0.003 0.000 1.034 711 A HN 0.745 nan 8.150 nan 0.000 0.491 712 D N 0.210 120.605 120.400 -0.007 0.000 2.178 712 D HA -0.163 4.509 4.640 0.053 0.000 0.201 712 D C 2.005 178.305 176.300 0.001 0.000 0.980 712 D CA 1.770 55.767 54.000 -0.005 0.000 0.842 712 D CB -0.076 40.721 40.800 -0.006 0.000 0.948 712 D HN 0.782 nan 8.370 nan 0.000 0.472 713 Q N 0.757 120.558 119.800 0.002 0.000 2.515 713 Q HA 0.089 4.461 4.340 0.053 0.000 0.212 713 Q C 0.821 176.825 176.000 0.006 0.000 0.970 713 Q CA 0.942 56.748 55.803 0.005 0.000 0.941 713 Q CB -0.131 28.610 28.738 0.005 0.000 0.998 713 Q HN 0.107 nan 8.270 nan 0.000 0.518 714 G N 1.476 110.279 108.800 0.006 0.000 2.796 714 G HA2 -0.247 3.745 3.960 0.053 0.000 0.571 714 G HA3 -0.247 3.745 3.960 0.053 0.000 0.571 714 G C -1.054 173.851 174.900 0.008 0.000 1.370 714 G CA -0.167 44.937 45.100 0.007 0.000 0.856 714 G HN 0.669 nan 8.290 nan 0.000 0.538 715 E N -0.771 119.435 120.200 0.011 0.000 2.390 715 E HA 0.596 4.978 4.350 0.053 0.000 0.277 715 E C -0.655 175.945 176.600 0.001 0.000 0.939 715 E CA -1.100 55.309 56.400 0.014 0.000 0.769 715 E CB 1.581 31.303 29.700 0.036 0.000 1.251 715 E HN 0.419 nan 8.360 nan 0.000 0.450 716 E N 0.719 120.912 120.200 -0.011 0.000 2.452 716 E HA 0.200 4.582 4.350 0.053 0.000 0.261 716 E C 0.859 177.427 176.600 -0.054 0.000 0.987 716 E CA 1.547 57.926 56.400 -0.036 0.000 0.926 716 E CB 0.991 30.667 29.700 -0.039 0.000 0.934 716 E HN 0.941 nan 8.360 nan 0.000 0.452 717 G N 2.696 111.448 108.800 -0.079 0.000 2.194 717 G HA2 -0.207 3.785 3.960 0.053 0.000 0.236 717 G HA3 -0.207 3.785 3.960 0.053 0.000 0.236 717 G C 0.160 175.017 174.900 -0.071 0.000 0.987 717 G CA -0.237 44.797 45.100 -0.110 0.000 0.635 717 G HN 0.405 nan 8.290 nan 0.000 0.520 718 I N 1.986 122.534 120.570 -0.036 0.000 2.382 718 I HA 0.463 4.665 4.170 0.053 0.000 0.285 718 I C 0.449 176.532 176.117 -0.056 0.000 1.007 718 I CA -1.084 60.202 61.300 -0.024 0.000 1.142 718 I CB 1.331 39.342 38.000 0.019 0.000 1.289 718 I HN -0.108 nan 8.210 nan 0.000 0.453 719 V N 7.297 127.143 119.914 -0.114 0.000 2.546 719 V HA 0.391 4.543 4.120 0.053 0.000 0.284 719 V C 0.231 176.291 176.094 -0.058 0.000 1.050 719 V CA -0.380 61.812 62.300 -0.180 0.000 0.981 719 V CB 1.313 32.868 31.823 -0.446 0.000 0.990 719 V HN 0.879 nan 8.190 nan 0.000 0.474 720 E N 4.088 124.326 120.200 0.063 0.000 2.352 720 E HA 0.854 5.236 4.350 0.053 0.000 0.280 720 E C -1.041 175.710 176.600 0.251 0.000 0.930 720 E CA -0.911 55.617 56.400 0.214 0.000 0.765 720 E CB 2.439 32.208 29.700 0.115 0.000 1.219 720 E HN 0.814 nan 8.360 nan 0.000 0.434 721 A N 1.925 124.909 122.820 0.273 0.000 2.564 721 A HA 0.361 4.713 4.320 0.053 0.000 0.291 721 A C -0.466 177.133 177.584 0.026 0.000 1.102 721 A CA -0.582 51.544 52.037 0.149 0.000 0.660 721 A CB 1.193 20.324 19.000 0.219 0.000 1.283 721 A HN 0.612 nan 8.150 nan 0.000 0.430 722 D N 0.394 120.789 120.400 -0.008 0.000 2.218 722 D HA 0.036 4.708 4.640 0.053 0.000 0.204 722 D C 0.954 177.193 176.300 -0.103 0.000 0.976 722 D CA 2.253 56.228 54.000 -0.042 0.000 0.853 722 D CB 0.117 40.899 40.800 -0.030 0.000 0.939 722 D HN 0.788 nan 8.370 nan 0.000 0.481 723 S N -1.901 113.699 115.700 -0.166 0.000 2.596 723 S HA 0.624 5.126 4.470 0.053 0.000 0.270 723 S C -0.263 174.046 174.600 -0.484 0.000 1.155 723 S CA -0.494 57.555 58.200 -0.252 0.000 0.827 723 S CB 1.957 65.069 63.200 -0.147 0.000 1.130 723 S HN -0.065 nan 8.310 nan 0.000 0.467 724 A N 0.710 123.187 122.820 -0.571 0.000 2.503 724 A HA 0.501 4.853 4.320 0.053 0.000 0.263 724 A C 0.216 177.651 177.584 -0.249 0.000 1.360 724 A CA 0.160 51.697 52.037 -0.833 0.000 0.969 724 A CB -1.047 17.564 19.000 -0.648 0.000 1.000 724 A HN 0.765 nan 8.150 nan 0.000 0.530 725 D N -2.531 117.799 120.400 -0.117 0.000 4.449 725 D HA 0.467 5.139 4.640 0.053 0.000 0.298 725 D C 1.333 177.670 176.300 0.063 0.000 1.684 725 D CA 0.990 55.014 54.000 0.040 0.000 0.981 725 D CB -0.273 40.557 40.800 0.051 0.000 1.459 725 D HN 0.547 nan 8.370 nan 0.000 0.673 726 G N 0.471 109.298 108.800 0.046 0.000 2.634 726 G HA2 -0.304 3.688 3.960 0.053 0.000 0.318 726 G HA3 -0.304 3.688 3.960 0.053 0.000 0.318 726 G C 0.716 175.664 174.900 0.079 0.000 1.207 726 G CA 1.809 46.940 45.100 0.052 0.000 0.987 726 G HN 1.024 nan 8.290 nan 0.000 0.547 727 S N 0.096 115.850 115.700 0.090 0.000 2.614 727 S HA 0.444 4.946 4.470 0.053 0.000 0.230 727 S C 1.559 176.228 174.600 0.115 0.000 0.952 727 S CA 0.889 59.138 58.200 0.081 0.000 0.949 727 S CB 0.133 63.361 63.200 0.047 0.000 0.786 727 S HN 0.945 nan 8.310 nan 0.000 0.478 728 F N 2.559 122.507 119.950 -0.003 0.000 2.102 728 F HA -0.031 4.528 4.527 0.053 0.000 0.298 728 F C 2.108 177.904 175.800 -0.006 0.000 1.105 728 F CA 1.546 59.544 58.000 -0.004 0.000 1.239 728 F CB -0.191 38.808 39.000 -0.002 0.000 0.991 728 F HN 0.169 nan 8.300 nan 0.000 0.474 729 M N 0.051 119.771 119.600 0.199 0.000 2.236 729 M HA -0.123 4.389 4.480 0.053 0.000 0.266 729 M C 1.738 178.030 176.300 -0.014 0.000 1.070 729 M CA 1.104 56.445 55.300 0.070 0.000 1.137 729 M CB -1.246 31.437 32.600 0.139 0.000 1.378 729 M HN 0.144 nan 8.290 nan 0.000 0.426 730 D N 0.734 121.137 120.400 0.005 0.000 2.123 730 D HA -0.170 4.502 4.640 0.053 0.000 0.196 730 D C 1.881 178.149 176.300 -0.052 0.000 0.992 730 D CA 1.229 55.219 54.000 -0.016 0.000 0.833 730 D CB -0.183 40.617 40.800 -0.000 0.000 0.954 730 D HN 0.484 nan 8.370 nan 0.000 0.455 731 E N 0.424 120.575 120.200 -0.081 0.000 2.058 731 E HA -0.131 4.251 4.350 0.053 0.000 0.194 731 E C 2.164 178.673 176.600 -0.152 0.000 0.997 731 E CA 0.285 56.616 56.400 -0.115 0.000 0.801 731 E CB -0.053 29.562 29.700 -0.142 0.000 0.746 731 E HN 0.150 nan 8.360 nan 0.000 0.450 732 L N 0.816 121.909 121.223 -0.216 0.000 2.056 732 L HA -0.156 4.216 4.340 0.053 0.000 0.207 732 L C 2.065 178.859 176.870 -0.127 0.000 1.078 732 L CA 1.257 55.968 54.840 -0.215 0.000 0.749 732 L CB -0.320 41.563 42.059 -0.293 0.000 0.901 732 L HN 0.237 nan 8.230 nan 0.000 0.433 733 L N -0.115 121.053 121.223 -0.091 0.000 2.141 733 L HA -0.139 4.233 4.340 0.053 0.000 0.209 733 L C 2.591 179.432 176.870 -0.047 0.000 1.094 733 L CA 1.527 56.334 54.840 -0.056 0.000 0.763 733 L CB -1.648 40.390 42.059 -0.035 0.000 0.908 733 L HN 0.253 nan 8.230 nan 0.000 0.437 734 T N -0.283 114.239 114.554 -0.053 0.000 2.777 734 T HA -0.116 4.266 4.350 0.053 0.000 0.266 734 T C 2.090 176.757 174.700 -0.055 0.000 1.040 734 T CA 0.914 62.989 62.100 -0.042 0.000 1.141 734 T CB -0.095 68.749 68.868 -0.040 0.000 0.868 734 T HN 0.196 nan 8.240 nan 0.000 0.444 735 L N 0.324 121.495 121.223 -0.086 0.000 2.046 735 L HA -0.067 4.305 4.340 0.053 0.000 0.208 735 L C 2.677 179.481 176.870 -0.109 0.000 1.077 735 L CA 1.283 56.054 54.840 -0.115 0.000 0.747 735 L CB -0.541 41.430 42.059 -0.148 0.000 0.896 735 L HN 0.310 nan 8.230 nan 0.000 0.432 736 M N -0.678 118.872 119.600 -0.082 0.000 2.159 736 M HA -0.163 4.349 4.480 0.053 0.000 0.263 736 M C 2.498 178.799 176.300 0.002 0.000 1.063 736 M CA 1.659 56.929 55.300 -0.050 0.000 1.110 736 M CB -0.507 32.073 32.600 -0.034 0.000 1.374 736 M HN 0.310 nan 8.290 nan 0.000 0.411 737 A N 0.394 123.216 122.820 0.003 0.000 2.024 737 A HA -0.028 4.324 4.320 0.053 0.000 0.220 737 A C 2.160 179.786 177.584 0.070 0.000 1.164 737 A CA 1.840 53.899 52.037 0.037 0.000 0.643 737 A CB -0.677 18.337 19.000 0.024 0.000 0.806 737 A HN 0.519 nan 8.150 nan 0.000 0.451 738 A N -2.922 119.918 122.820 0.033 0.000 2.275 738 A HA 0.362 4.714 4.320 0.053 0.000 0.212 738 A C 0.926 178.540 177.584 0.051 0.000 1.201 738 A CA 1.254 53.323 52.037 0.054 0.000 0.843 738 A CB -0.433 18.557 19.000 -0.016 0.000 0.873 738 A HN 0.979 nan 8.150 nan 0.000 0.492 739 H N -1.378 117.642 119.070 -0.083 0.000 4.823 739 H HA -0.181 4.407 4.556 0.053 0.000 0.064 739 H C 0.105 175.229 175.328 -0.340 0.000 0.599 739 H CA 2.362 58.347 56.048 -0.105 0.000 0.956 739 H CB -0.589 29.223 29.762 0.082 0.000 0.432 739 H HN 0.459 nan 8.280 nan 0.000 0.798 740 R N -0.494 119.456 120.500 -0.916 0.000 2.817 740 R HA 0.630 5.002 4.340 0.053 0.000 0.268 740 R C -0.774 174.669 176.300 -1.427 0.000 1.027 740 R CA -0.259 55.053 56.100 -1.313 0.000 0.928 740 R CB 1.730 30.892 30.300 -1.897 0.000 1.228 740 R HN 0.057 nan 8.270 nan 0.000 0.469 741 V N 2.162 121.435 119.914 -1.068 0.000 2.218 741 V HA 0.135 4.287 4.120 0.053 0.000 0.261 741 V C 0.538 176.236 176.094 -0.660 0.000 1.142 741 V CA -0.468 61.398 62.300 -0.723 0.000 0.965 741 V CB -0.030 31.523 31.823 -0.450 0.000 1.190 741 V HN 0.714 nan 8.190 nan 0.000 0.478 742 W N 1.494 122.503 121.300 -0.484 0.000 2.392 742 W HA -0.161 4.530 4.660 0.053 0.000 0.279 742 W C 2.522 178.824 176.519 -0.362 0.000 1.225 742 W CA 0.877 57.841 57.345 -0.635 0.000 1.233 742 W CB -0.401 28.241 29.460 -1.362 0.000 1.122 742 W HN 0.644 nan 8.180 nan 0.000 0.561 743 S N 0.765 116.409 115.700 -0.094 0.000 2.500 743 S HA -0.184 4.318 4.470 0.053 0.000 0.239 743 S C 1.711 176.272 174.600 -0.065 0.000 0.989 743 S CA 1.052 59.224 58.200 -0.047 0.000 0.951 743 S CB -0.440 62.734 63.200 -0.044 0.000 0.759 743 S HN 0.428 nan 8.310 nan 0.000 0.523 744 R N 0.602 121.022 120.500 -0.134 0.000 2.240 744 R HA 0.259 4.631 4.340 0.053 0.000 0.203 744 R C 1.838 178.064 176.300 -0.123 0.000 1.011 744 R CA 0.403 56.401 56.100 -0.170 0.000 1.007 744 R CB -0.318 29.775 30.300 -0.345 0.000 0.911 744 R HN 0.476 nan 8.270 nan 0.000 0.468 745 I N 1.858 122.394 120.570 -0.057 0.000 2.151 745 I HA -0.233 3.969 4.170 0.053 0.000 0.243 745 I C -0.795 175.341 176.117 0.031 0.000 1.080 745 I CA 1.345 62.655 61.300 0.015 0.000 1.339 745 I CB -0.952 37.108 38.000 0.099 0.000 1.039 745 I HN 0.151 nan 8.210 nan 0.000 0.409 746 P HA -0.176 nan 4.420 nan 0.000 0.219 746 P C 1.137 178.463 177.300 0.043 0.000 1.146 746 P CA 1.530 64.657 63.100 0.044 0.000 0.808 746 P CB -0.086 31.639 31.700 0.040 0.000 0.779 747 K N -0.609 119.810 120.400 0.032 0.000 2.361 747 K HA 0.077 4.429 4.320 0.053 0.000 0.196 747 K C 2.045 178.701 176.600 0.093 0.000 1.039 747 K CA 0.495 56.825 56.287 0.071 0.000 1.001 747 K CB -0.340 32.231 32.500 0.118 0.000 0.795 747 K HN 0.281 nan 8.250 nan 0.000 0.495 748 I N -1.196 119.393 120.570 0.032 0.000 2.439 748 I HA -0.132 4.070 4.170 0.053 0.000 0.251 748 I C 0.940 177.097 176.117 0.067 0.000 1.139 748 I CA 1.326 62.649 61.300 0.038 0.000 1.438 748 I CB -0.163 37.808 38.000 -0.047 0.000 1.085 748 I HN -0.123 nan 8.210 nan 0.000 0.427 749 D N 1.882 122.322 120.400 0.067 0.000 2.221 749 D HA -0.169 4.503 4.640 0.053 0.000 0.204 749 D C 2.003 178.342 176.300 0.066 0.000 0.982 749 D CA 1.249 55.290 54.000 0.070 0.000 0.857 749 D CB -0.114 40.728 40.800 0.071 0.000 0.934 749 D HN 0.348 nan 8.370 nan 0.000 0.475 750 K N 0.183 120.623 120.400 0.067 0.000 2.155 750 K HA 0.099 4.450 4.320 0.053 0.000 0.203 750 K C 0.966 177.600 176.600 0.057 0.000 1.052 750 K CA 0.009 56.331 56.287 0.059 0.000 0.948 750 K CB 0.111 32.644 32.500 0.056 0.000 0.728 750 K HN 0.208 nan 8.250 nan 0.000 0.448 751 I N 3.159 123.772 120.570 0.071 0.000 2.452 751 I HA 0.118 4.320 4.170 0.053 0.000 0.287 751 I C -2.181 173.969 176.117 0.055 0.000 1.079 751 I CA -2.293 59.044 61.300 0.061 0.000 1.387 751 I CB 0.852 38.904 38.000 0.086 0.000 1.404 751 I HN 0.011 nan 8.210 nan 0.000 0.522 752 P HA 0.258 nan 4.420 nan 0.000 0.256 752 P C -0.859 176.501 177.300 0.100 0.000 1.688 752 P CA 0.036 63.175 63.100 0.064 0.000 1.162 752 P CB 0.178 31.910 31.700 0.053 0.000 1.870 753 A N 0.000 122.880 122.820 0.100 0.000 2.254 753 A HA 0.000 4.352 4.320 0.053 0.000 0.244 753 A CA 0.000 52.137 52.037 0.166 0.000 0.836 753 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486