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 1w0o_1_A DATA FIRST_RESID 25 DATA SEQUENCE ALFDYNATGD TEFDSPAKQG WMQDNTNNGS GVLTNADGMP AWLVQGIGGR DATA SEQUENCE AQWTYSLSTN QHAQASSFGW RMTTEMKVLS GGMITNYYAN GTQRVLPIIS DATA SEQUENCE LDSSGNLVVE FEGQTGRTVL ATGTAATEYH KFELVFLPGS NPSASFYFDG DATA SEQUENCE KLIRDNIQPT ASKQNMIVWG NGSSNTDGVA AYRDIKFEIQ GDVIFRGPDR DATA SEQUENCE IPSIVASSVT PGVVTAFAEK RVGGGDPGAL SNTNDIITRT SRDGGITWDT DATA SEQUENCE ELNLTEQINV SDEFDFSDPR PIYDPSSNTV LVSYARWPTD AAQNGDRIKP DATA SEQUENCE WMPNGIFYSV YDVASGNWQA PIDVTDQVKE RSFQIAGWGG SELYRRNTSL DATA SEQUENCE NSQQDWQSNA KIRIVDGAAN QIQVADGSRK YVVTLSIDES GGLVANLNGV DATA SEQUENCE SAPIILQSEH AKVHSFHDYE LQYSALNHTT TLFVDGQQIT TWAGEVSQEN DATA SEQUENCE NIQFGNADAQ IDGRLHVQKI VLTQQGHNLV EFDAFYLAQQ TPEVEKDLEK DATA SEQUENCE LGWTKIKTGN TMSLYGNASV NPGPGHGITL TRQQNISGSQ NGRLIYPAIV DATA SEQUENCE LDRFFLNVMS IYSDDGGSNW QTGSTLPIPF RWKSSSILET LEPSEADMVE DATA SEQUENCE LQNGDLLLTA RLDFNQIVNG VNYSPRQQFL SKDGGITWSL LEANNANVFS DATA SEQUENCE NISTGTVDAS ITRFEQSDGS HFLLFTNPQG NPAGTNGRQN LGLWFSFDEG DATA SEQUENCE VTWKGPIQLV NGASAYSDIY QLDSENAIVI VETDNSNMRI LRMPITLLKQ DATA SEQUENCE KLT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.350 177.584 -0.390 0.000 1.274 25 A CA 0.000 51.893 52.037 -0.240 0.000 0.836 25 A CB 0.000 18.853 19.000 -0.245 0.000 0.831 26 L N 1.342 122.232 121.223 -0.556 0.000 2.329 26 L HA 0.937 5.277 4.340 0.000 0.000 0.279 26 L C -1.673 174.724 176.870 -0.788 0.000 1.014 26 L CA -0.476 54.085 54.840 -0.465 0.000 0.814 26 L CB 1.013 42.928 42.059 -0.240 0.000 1.257 26 L HN 0.518 nan 8.230 nan 0.000 0.424 27 F N 4.285 124.184 119.950 -0.085 0.000 2.445 27 F HA 0.546 5.073 4.527 0.000 0.000 0.348 27 F C -0.322 175.556 175.800 0.129 0.000 1.125 27 F CA -0.738 57.114 58.000 -0.248 0.000 0.983 27 F CB 1.367 40.010 39.000 -0.595 0.000 1.198 27 F HN 0.572 nan 8.300 nan 0.000 0.436 28 D N 1.383 122.004 120.400 0.367 0.000 2.626 28 D HA 0.390 5.030 4.640 0.000 0.000 0.278 28 D C -1.991 174.717 176.300 0.681 0.000 1.211 28 D CA -0.710 53.586 54.000 0.493 0.000 0.903 28 D CB 2.131 43.033 40.800 0.170 0.000 1.408 28 D HN 0.323 nan 8.370 nan 0.000 0.454 29 Y N 0.073 120.464 120.300 0.151 0.000 2.396 29 Y HA 0.523 5.073 4.550 0.000 0.000 0.332 29 Y C -1.897 173.924 175.900 -0.131 0.000 1.034 29 Y CA -0.694 57.380 58.100 -0.043 0.000 1.057 29 Y CB 1.703 39.884 38.460 -0.465 0.000 1.220 29 Y HN 0.331 nan 8.280 nan 0.000 0.440 30 N N 4.327 122.523 118.700 -0.841 0.000 2.442 30 N HA 0.638 5.378 4.740 0.000 0.000 0.274 30 N C -1.051 173.917 175.510 -0.902 0.000 1.002 30 N CA -0.580 52.073 53.050 -0.661 0.000 0.910 30 N CB 1.986 40.262 38.487 -0.353 0.000 1.244 30 N HN 0.757 nan 8.380 nan 0.000 0.492 31 A N 1.732 124.138 122.820 -0.691 0.000 2.524 31 A HA 0.470 4.790 4.320 0.000 0.000 0.250 31 A C 0.479 177.995 177.584 -0.114 0.000 1.078 31 A CA 0.450 52.315 52.037 -0.287 0.000 0.761 31 A CB 0.008 19.056 19.000 0.080 0.000 1.012 31 A HN 0.532 nan 8.150 nan 0.000 0.500 32 T N 0.731 115.290 114.554 0.008 0.000 2.840 32 T HA 0.529 4.879 4.350 0.000 0.000 0.317 32 T C 0.865 175.640 174.700 0.125 0.000 1.401 32 T CA 0.263 62.391 62.100 0.048 0.000 1.028 32 T CB 1.177 70.060 68.868 0.026 0.000 1.317 32 T HN 1.046 nan 8.240 nan 0.000 0.495 33 G N 0.928 109.790 108.800 0.103 0.000 2.838 33 G HA2 0.152 4.112 3.960 0.000 0.000 0.210 33 G HA3 0.152 4.112 3.960 0.000 0.000 0.210 33 G C 0.115 175.078 174.900 0.106 0.000 1.153 33 G CA -0.137 45.030 45.100 0.112 0.000 0.778 33 G HN 0.751 nan 8.290 nan 0.000 0.539 34 D N 1.536 122.002 120.400 0.110 0.000 2.451 34 D HA 0.042 4.682 4.640 0.000 0.000 0.254 34 D C 1.541 177.897 176.300 0.094 0.000 1.204 34 D CA 0.353 54.418 54.000 0.108 0.000 0.896 34 D CB 1.236 42.129 40.800 0.154 0.000 1.136 34 D HN -0.022 nan 8.370 nan 0.000 0.499 35 T N 2.584 117.166 114.554 0.046 0.000 2.624 35 T HA -0.306 4.044 4.350 0.000 0.000 0.266 35 T C 1.678 176.341 174.700 -0.061 0.000 1.050 35 T CA 1.721 63.828 62.100 0.012 0.000 1.163 35 T CB -0.112 68.753 68.868 -0.005 0.000 0.861 35 T HN 0.580 nan 8.240 nan 0.000 0.443 36 E N -0.094 119.997 120.200 -0.182 0.000 2.209 36 E HA -0.131 4.219 4.350 0.000 0.000 0.196 36 E C 0.276 176.437 176.600 -0.732 0.000 0.993 36 E CA 0.947 57.039 56.400 -0.512 0.000 0.819 36 E CB -0.021 29.234 29.700 -0.741 0.000 0.745 36 E HN 0.603 nan 8.360 nan 0.000 0.477 37 F N 0.169 120.149 119.950 0.049 0.000 2.810 37 F HA 0.145 4.672 4.527 0.000 0.000 0.353 37 F C 0.062 175.916 175.800 0.090 0.000 1.227 37 F CA -0.636 57.399 58.000 0.059 0.000 1.210 37 F CB 0.713 39.733 39.000 0.033 0.000 1.039 37 F HN -0.054 nan 8.300 nan 0.000 0.509 38 D N -0.477 120.048 120.400 0.208 0.000 2.332 38 D HA 0.083 4.723 4.640 0.000 0.000 0.244 38 D C 0.400 176.878 176.300 0.297 0.000 1.136 38 D CA 0.472 54.616 54.000 0.240 0.000 0.884 38 D CB 0.269 41.183 40.800 0.190 0.000 0.906 38 D HN 0.115 nan 8.370 nan 0.000 0.520 39 S N -1.212 114.610 115.700 0.203 0.000 2.552 39 S HA 0.407 4.877 4.470 0.000 0.000 0.272 39 S C -2.510 171.908 174.600 -0.303 0.000 1.150 39 S CA -1.130 56.999 58.200 -0.119 0.000 0.849 39 S CB 1.729 64.852 63.200 -0.128 0.000 1.113 39 S HN -0.285 nan 8.310 nan 0.000 0.458 40 P HA 0.032 nan 4.420 nan 0.000 0.219 40 P C 1.237 178.212 177.300 -0.541 0.000 1.146 40 P CA 1.581 63.974 63.100 -1.178 0.000 0.808 40 P CB 0.029 30.076 31.700 -2.754 0.000 0.779 41 A N -0.253 122.227 122.820 -0.567 0.000 2.015 41 A HA -0.160 4.160 4.320 0.000 0.000 0.219 41 A C 1.891 179.494 177.584 0.032 0.000 1.163 41 A CA 1.409 53.407 52.037 -0.065 0.000 0.646 41 A CB -0.814 18.244 19.000 0.095 0.000 0.806 41 A HN 0.186 nan 8.150 nan 0.000 0.448 42 K N -0.761 119.669 120.400 0.050 0.000 2.404 42 K HA 0.112 4.432 4.320 0.000 0.000 0.194 42 K C 0.646 177.423 176.600 0.295 0.000 1.023 42 K CA 0.243 56.611 56.287 0.135 0.000 1.094 42 K CB 0.286 32.848 32.500 0.103 0.000 0.841 42 K HN 0.513 nan 8.250 nan 0.000 0.523 43 Q N -0.496 119.484 119.800 0.299 0.000 2.157 43 Q HA 0.147 4.487 4.340 0.000 0.000 0.229 43 Q C 0.320 176.516 176.000 0.327 0.000 0.827 43 Q CA 0.004 56.031 55.803 0.374 0.000 1.055 43 Q CB 1.479 30.494 28.738 0.461 0.000 1.157 43 Q HN 0.436 nan 8.270 nan 0.000 0.482 44 G N 0.235 109.133 108.800 0.163 0.000 2.194 44 G HA2 -0.217 3.743 3.960 0.000 0.000 0.236 44 G HA3 -0.217 3.743 3.960 0.000 0.000 0.236 44 G C -0.444 174.202 174.900 -0.424 0.000 0.987 44 G CA -0.469 44.586 45.100 -0.076 0.000 0.635 44 G HN 0.271 nan 8.290 nan 0.000 0.520 45 W N 0.775 122.026 121.300 -0.082 0.000 2.381 45 W HA 0.794 5.454 4.660 0.000 0.000 0.329 45 W C 0.751 177.288 176.519 0.030 0.000 1.157 45 W CA -0.828 56.473 57.345 -0.073 0.000 1.240 45 W CB 0.644 30.108 29.460 0.007 0.000 1.199 45 W HN -0.005 nan 8.180 nan 0.000 0.579 46 M N 2.015 121.770 119.600 0.258 0.000 2.238 46 M HA 0.206 4.686 4.480 0.000 0.000 0.350 46 M C 0.011 176.382 176.300 0.118 0.000 1.138 46 M CA -0.783 54.610 55.300 0.155 0.000 1.040 46 M CB 1.478 34.061 32.600 -0.028 0.000 1.639 46 M HN 0.438 nan 8.290 nan 0.000 0.451 47 Q N 2.119 121.864 119.800 -0.092 0.000 2.313 47 Q HA 0.036 4.376 4.340 0.000 0.000 0.266 47 Q C -1.110 174.617 176.000 -0.454 0.000 0.989 47 Q CA 0.497 55.877 55.803 -0.706 0.000 0.890 47 Q CB 0.663 29.033 28.738 -0.613 0.000 1.200 47 Q HN 0.617 nan 8.270 nan 0.000 0.396 48 D N 3.628 123.699 120.400 -0.548 0.000 2.621 48 D HA 0.247 4.887 4.640 0.000 0.000 0.274 48 D C -1.287 174.823 176.300 -0.316 0.000 1.215 48 D CA -0.427 53.375 54.000 -0.331 0.000 0.810 48 D CB 0.151 40.804 40.800 -0.246 0.000 1.248 48 D HN 0.459 nan 8.370 nan 0.000 0.517 49 N N 0.128 118.655 118.700 -0.288 0.000 2.518 49 N HA 0.615 5.355 4.740 0.000 0.000 0.284 49 N C -0.266 175.160 175.510 -0.141 0.000 1.230 49 N CA -0.450 52.469 53.050 -0.219 0.000 0.941 49 N CB 1.569 39.925 38.487 -0.218 0.000 1.219 49 N HN 0.351 nan 8.380 nan 0.000 0.560 50 T N -2.585 111.905 114.554 -0.106 0.000 2.900 50 T HA 0.441 4.791 4.350 0.000 0.000 0.303 50 T C 0.297 174.961 174.700 -0.060 0.000 1.142 50 T CA -0.661 61.393 62.100 -0.076 0.000 1.007 50 T CB 1.790 70.621 68.868 -0.063 0.000 1.156 50 T HN 0.500 nan 8.240 nan 0.000 0.490 51 N N 2.066 120.737 118.700 -0.048 0.000 1.194 51 N HA -0.251 4.489 4.740 0.000 0.000 0.131 51 N C 0.670 176.159 175.510 -0.036 0.000 0.688 51 N CA 1.641 54.669 53.050 -0.037 0.000 0.927 51 N CB -1.273 37.195 38.487 -0.031 0.000 1.224 51 N HN 0.864 nan 8.380 nan 0.000 0.529 52 N N 2.147 120.829 118.700 -0.030 0.000 2.521 52 N HA 0.050 4.790 4.740 0.000 0.000 0.188 52 N C 0.830 176.323 175.510 -0.029 0.000 1.146 52 N CA 0.670 53.705 53.050 -0.025 0.000 0.893 52 N CB -0.258 38.218 38.487 -0.018 0.000 0.975 52 N HN 0.505 nan 8.380 nan 0.000 0.451 53 G N 0.317 109.091 108.800 -0.043 0.000 2.353 53 G HA2 0.258 4.218 3.960 0.000 0.000 0.239 53 G HA3 0.258 4.218 3.960 0.000 0.000 0.239 53 G C 0.023 174.893 174.900 -0.051 0.000 1.295 53 G CA 0.158 45.227 45.100 -0.052 0.000 0.884 53 G HN 0.151 nan 8.290 nan 0.000 0.537 54 S N 0.075 115.759 115.700 -0.026 0.000 2.873 54 S HA 0.901 5.371 4.470 0.000 0.000 0.303 54 S C -0.243 174.406 174.600 0.083 0.000 1.222 54 S CA 0.204 58.412 58.200 0.013 0.000 0.923 54 S CB 1.268 64.479 63.200 0.018 0.000 1.286 54 S HN 1.836 nan 8.310 nan 0.000 0.571 55 G N -0.436 108.446 108.800 0.137 0.000 2.547 55 G HA2 0.591 4.552 3.960 0.000 0.000 0.291 55 G HA3 0.591 4.552 3.960 0.000 0.000 0.291 55 G C -1.906 172.842 174.900 -0.253 0.000 1.471 55 G CA 0.197 45.346 45.100 0.082 0.000 0.798 55 G HN 1.376 nan 8.290 nan 0.000 0.504 56 V N 0.414 119.728 119.914 -1.000 0.000 3.167 56 V HA 0.682 4.802 4.120 0.000 0.000 0.293 56 V C -1.371 174.058 176.094 -1.108 0.000 1.379 56 V CA -0.846 60.904 62.300 -0.917 0.000 1.019 56 V CB 1.958 33.586 31.823 -0.325 0.000 1.115 56 V HN 1.184 nan 8.190 nan 0.000 0.442 57 L N 4.108 124.985 121.223 -0.577 0.000 2.416 57 L HA 0.684 5.024 4.340 0.000 0.000 0.272 57 L C 0.244 177.067 176.870 -0.079 0.000 1.161 57 L CA 1.293 56.058 54.840 -0.125 0.000 0.845 57 L CB 1.283 43.457 42.059 0.191 0.000 1.119 57 L HN 0.928 nan 8.230 nan 0.000 0.464 58 T N 2.859 117.409 114.554 -0.006 0.000 2.887 58 T HA 0.482 4.832 4.350 0.000 0.000 0.288 58 T C 0.302 175.042 174.700 0.066 0.000 1.021 58 T CA -0.496 61.614 62.100 0.018 0.000 1.000 58 T CB 0.915 69.791 68.868 0.014 0.000 1.034 58 T HN 0.779 nan 8.240 nan 0.000 0.467 59 N N 1.824 120.556 118.700 0.053 0.000 2.159 59 N HA 0.289 5.029 4.740 0.000 0.000 0.217 59 N C 1.672 177.213 175.510 0.053 0.000 1.223 59 N CA 0.230 53.313 53.050 0.055 0.000 0.896 59 N CB 0.427 38.941 38.487 0.045 0.000 1.064 59 N HN 0.630 nan 8.380 nan 0.000 0.518 60 A N 0.547 123.399 122.820 0.053 0.000 2.148 60 A HA -0.170 4.150 4.320 0.000 0.000 0.222 60 A C 0.952 178.576 177.584 0.066 0.000 1.161 60 A CA 1.417 53.485 52.037 0.051 0.000 0.662 60 A CB -0.202 18.825 19.000 0.046 0.000 0.799 60 A HN 0.174 nan 8.150 nan 0.000 0.466 61 D N -1.747 118.707 120.400 0.090 0.000 2.358 61 D HA 0.316 4.956 4.640 0.000 0.000 0.224 61 D C 1.504 177.833 176.300 0.049 0.000 1.123 61 D CA 0.918 54.982 54.000 0.107 0.000 0.833 61 D CB 0.312 41.246 40.800 0.223 0.000 0.946 61 D HN 0.520 nan 8.370 nan 0.000 0.505 62 G N 1.300 110.120 108.800 0.033 0.000 2.640 62 G HA2 -0.318 3.642 3.960 0.000 0.000 0.226 62 G HA3 -0.318 3.642 3.960 0.000 0.000 0.226 62 G C 0.381 175.280 174.900 -0.002 0.000 1.222 62 G CA 0.183 45.290 45.100 0.011 0.000 0.729 62 G HN 0.309 nan 8.290 nan 0.000 0.516 63 M N 3.059 122.646 119.600 -0.022 0.000 2.336 63 M HA 0.443 4.923 4.480 0.000 0.000 0.342 63 M C -2.155 174.139 176.300 -0.009 0.000 1.128 63 M CA -1.942 53.334 55.300 -0.040 0.000 1.016 63 M CB 2.074 34.612 32.600 -0.103 0.000 1.665 63 M HN 0.096 nan 8.290 nan 0.000 0.445 64 P HA 0.291 nan 4.420 nan 0.000 0.268 64 P C -1.333 176.028 177.300 0.101 0.000 1.208 64 P CA -0.129 63.014 63.100 0.070 0.000 0.777 64 P CB 0.728 32.477 31.700 0.081 0.000 0.875 65 A N 2.058 124.993 122.820 0.191 0.000 2.604 65 A HA 0.422 4.742 4.320 0.000 0.000 0.295 65 A C -1.836 175.989 177.584 0.401 0.000 1.067 65 A CA -0.725 51.494 52.037 0.303 0.000 0.683 65 A CB 1.144 20.335 19.000 0.318 0.000 1.281 65 A HN 0.646 nan 8.150 nan 0.000 0.407 66 W N 3.505 125.046 121.300 0.401 0.000 2.331 66 W HA 0.525 5.185 4.660 0.000 0.000 0.306 66 W C -1.617 175.143 176.519 0.402 0.000 1.162 66 W CA -0.501 57.067 57.345 0.370 0.000 1.232 66 W CB 1.321 30.971 29.460 0.317 0.000 1.235 66 W HN 0.634 nan 8.180 nan 0.000 0.479 67 L N 8.089 129.119 121.223 -0.322 0.000 2.261 67 L HA 0.250 4.590 4.340 0.000 0.000 0.289 67 L C -0.543 176.263 176.870 -0.106 0.000 1.059 67 L CA -0.142 54.633 54.840 -0.107 0.000 0.816 67 L CB 0.943 42.915 42.059 -0.144 0.000 1.191 67 L HN 0.140 nan 8.230 nan 0.000 0.431 68 V N 5.958 126.031 119.914 0.265 0.000 2.427 68 V HA 0.218 4.338 4.120 0.000 0.000 0.268 68 V C 0.161 176.343 176.094 0.147 0.000 1.046 68 V CA -0.291 62.190 62.300 0.302 0.000 0.970 68 V CB 0.786 32.872 31.823 0.439 0.000 1.001 68 V HN 0.741 nan 8.190 nan 0.000 0.476 69 Q N 3.684 123.531 119.800 0.078 0.000 2.563 69 Q HA 0.391 4.731 4.340 0.000 0.000 0.232 69 Q C 0.817 176.830 176.000 0.022 0.000 1.106 69 Q CA -0.209 55.615 55.803 0.034 0.000 0.913 69 Q CB 1.288 30.027 28.738 0.002 0.000 1.175 69 Q HN 0.891 nan 8.270 nan 0.000 0.540 70 G N 3.377 112.194 108.800 0.029 0.000 3.882 70 G HA2 0.210 4.170 3.960 0.000 0.000 0.283 70 G HA3 0.210 4.170 3.960 0.000 0.000 0.283 70 G C 0.299 175.200 174.900 0.002 0.000 1.283 70 G CA -0.253 44.852 45.100 0.008 0.000 1.402 70 G HN 0.535 nan 8.290 nan 0.000 0.618 71 I N -1.700 118.870 120.570 -0.001 0.000 2.315 71 I HA 0.624 4.794 4.170 0.000 0.000 0.291 71 I C 0.823 176.934 176.117 -0.010 0.000 1.006 71 I CA -0.642 60.656 61.300 -0.004 0.000 1.265 71 I CB 0.492 38.491 38.000 -0.002 0.000 1.387 71 I HN 0.373 nan 8.210 nan 0.000 0.475 72 G N 3.680 112.473 108.800 -0.011 0.000 2.198 72 G HA2 0.140 4.100 3.960 0.000 0.000 0.257 72 G HA3 0.140 4.100 3.960 0.000 0.000 0.257 72 G C 0.366 175.254 174.900 -0.020 0.000 1.042 72 G CA 0.165 45.256 45.100 -0.015 0.000 0.791 72 G HN 2.090 nan 8.290 nan 0.000 0.502 73 G N -1.761 107.025 108.800 -0.023 0.000 2.339 73 G HA2 0.557 4.517 3.960 0.000 0.000 0.302 73 G HA3 0.557 4.517 3.960 0.000 0.000 0.302 73 G C -0.607 174.270 174.900 -0.039 0.000 1.425 73 G CA 0.005 45.086 45.100 -0.033 0.000 0.899 73 G HN 0.826 nan 8.290 nan 0.000 0.619 74 R N -0.101 120.368 120.500 -0.053 0.000 2.441 74 R HA 0.666 5.006 4.340 0.000 0.000 0.284 74 R C -0.136 176.103 176.300 -0.102 0.000 1.070 74 R CA 0.256 56.317 56.100 -0.065 0.000 1.047 74 R CB 0.945 31.203 30.300 -0.070 0.000 1.016 74 R HN 1.322 nan 8.270 nan 0.000 0.477 75 A N 5.337 128.091 122.820 -0.110 0.000 2.569 75 A HA 0.298 4.618 4.320 0.000 0.000 0.282 75 A C -1.274 176.161 177.584 -0.247 0.000 1.165 75 A CA -0.710 51.221 52.037 -0.176 0.000 0.747 75 A CB 1.030 19.982 19.000 -0.079 0.000 1.215 75 A HN 0.849 nan 8.150 nan 0.000 0.431 76 Q N 0.886 120.417 119.800 -0.449 0.000 2.590 76 Q HA 0.724 5.064 4.340 0.000 0.000 0.295 76 Q C -1.861 173.594 176.000 -0.909 0.000 0.973 76 Q CA -0.888 54.593 55.803 -0.537 0.000 0.768 76 Q CB 1.393 29.969 28.738 -0.270 0.000 1.479 76 Q HN 0.574 nan 8.270 nan 0.000 0.419 77 W N 1.028 121.856 121.300 -0.788 0.000 2.736 77 W HA 0.628 5.288 4.660 0.000 0.000 0.335 77 W C -0.532 175.805 176.519 -0.305 0.000 1.059 77 W CA -0.302 56.610 57.345 -0.722 0.000 1.226 77 W CB 2.519 31.131 29.460 -1.413 0.000 1.416 77 W HN 0.798 nan 8.180 nan 0.000 0.505 78 T N -0.814 113.877 114.554 0.229 0.000 2.916 78 T HA 0.677 5.027 4.350 0.000 0.000 0.292 78 T C -1.899 172.952 174.700 0.251 0.000 1.064 78 T CA -0.754 61.492 62.100 0.245 0.000 1.011 78 T CB 2.223 71.103 68.868 0.020 0.000 1.152 78 T HN 0.299 nan 8.240 nan 0.000 0.510 79 Y N 0.248 120.529 120.300 -0.032 0.000 2.396 79 Y HA 0.586 5.136 4.550 0.000 0.000 0.332 79 Y C -0.444 175.284 175.900 -0.286 0.000 1.034 79 Y CA -0.682 57.227 58.100 -0.317 0.000 1.057 79 Y CB 2.501 40.520 38.460 -0.735 0.000 1.220 79 Y HN 0.932 nan 8.280 nan 0.000 0.440 80 S N 5.248 120.928 115.700 -0.033 0.000 2.585 80 S HA 0.722 5.192 4.470 0.000 0.000 0.277 80 S C -0.727 173.824 174.600 -0.083 0.000 1.241 80 S CA -0.632 57.541 58.200 -0.045 0.000 1.041 80 S CB 0.728 63.898 63.200 -0.050 0.000 0.987 80 S HN 0.517 nan 8.310 nan 0.000 0.512 81 L N 1.692 122.825 121.223 -0.150 0.000 2.301 81 L HA 0.597 4.937 4.340 0.000 0.000 0.264 81 L C 0.426 177.173 176.870 -0.204 0.000 1.016 81 L CA -0.812 53.837 54.840 -0.318 0.000 0.821 81 L CB 2.076 43.722 42.059 -0.689 0.000 1.346 81 L HN 0.732 nan 8.230 nan 0.000 0.429 82 S N -1.443 114.156 115.700 -0.170 0.000 2.693 82 S HA 0.258 4.728 4.470 0.000 0.000 0.276 82 S C 0.831 175.446 174.600 0.025 0.000 1.192 82 S CA -0.393 57.789 58.200 -0.029 0.000 0.994 82 S CB 1.504 64.710 63.200 0.008 0.000 1.012 82 S HN 0.627 nan 8.310 nan 0.000 0.550 83 T N 2.111 116.737 114.554 0.120 0.000 2.720 83 T HA -0.130 4.220 4.350 0.000 0.000 0.268 83 T C 1.476 176.266 174.700 0.151 0.000 1.037 83 T CA 2.203 64.410 62.100 0.178 0.000 1.144 83 T CB -0.834 68.105 68.868 0.118 0.000 0.864 83 T HN 0.719 nan 8.240 nan 0.000 0.444 84 N N 1.161 119.921 118.700 0.100 0.000 2.166 84 N HA -0.059 4.681 4.740 0.000 0.000 0.186 84 N C 2.027 177.606 175.510 0.115 0.000 1.019 84 N CA 0.894 54.006 53.050 0.104 0.000 0.856 84 N CB -0.247 38.289 38.487 0.082 0.000 0.993 84 N HN 0.508 nan 8.380 nan 0.000 0.426 85 Q N -0.455 119.379 119.800 0.057 0.000 2.079 85 Q HA -0.075 4.265 4.340 0.000 0.000 0.200 85 Q C 1.513 177.564 176.000 0.085 0.000 0.974 85 Q CA 1.202 57.029 55.803 0.040 0.000 0.840 85 Q CB -0.193 28.504 28.738 -0.067 0.000 0.898 85 Q HN 0.635 nan 8.270 nan 0.000 0.430 86 H N -0.015 119.152 119.070 0.162 0.000 2.353 86 H HA -0.076 4.480 4.556 0.000 0.000 0.300 86 H C 2.063 177.519 175.328 0.213 0.000 1.090 86 H CA 1.056 57.231 56.048 0.212 0.000 1.327 86 H CB 0.041 29.892 29.762 0.149 0.000 1.383 86 H HN 0.317 nan 8.280 nan 0.000 0.508 87 A N 0.629 123.623 122.820 0.289 0.000 1.933 87 A HA -0.248 4.072 4.320 0.000 0.000 0.218 87 A C 2.213 179.944 177.584 0.245 0.000 1.175 87 A CA 1.724 53.896 52.037 0.225 0.000 0.628 87 A CB -0.535 18.569 19.000 0.173 0.000 0.814 87 A HN 0.504 nan 8.150 nan 0.000 0.444 88 Q N -0.574 119.397 119.800 0.284 0.000 2.084 88 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 88 Q C 2.205 178.462 176.000 0.429 0.000 0.978 88 Q CA 1.499 57.540 55.803 0.396 0.000 0.844 88 Q CB -0.338 28.595 28.738 0.326 0.000 0.898 88 Q HN 0.606 nan 8.270 nan 0.000 0.426 89 A N 0.023 123.078 122.820 0.393 0.000 1.902 89 A HA -0.174 4.146 4.320 0.000 0.000 0.217 89 A C 2.223 180.155 177.584 0.580 0.000 1.181 89 A CA 1.871 54.212 52.037 0.507 0.000 0.623 89 A CB -0.586 18.709 19.000 0.493 0.000 0.818 89 A HN 0.426 nan 8.150 nan 0.000 0.443 90 S N -0.761 115.206 115.700 0.446 0.000 2.383 90 S HA -0.091 4.379 4.470 0.000 0.000 0.227 90 S C 2.224 176.980 174.600 0.259 0.000 1.026 90 S CA 1.376 59.827 58.200 0.418 0.000 0.981 90 S CB -0.202 63.165 63.200 0.279 0.000 0.818 90 S HN 0.663 nan 8.310 nan 0.000 0.472 91 S N -0.225 115.496 115.700 0.035 0.000 2.458 91 S HA 0.167 4.637 4.470 0.000 0.000 0.223 91 S C 0.846 175.052 174.600 -0.656 0.000 1.019 91 S CA 0.391 58.364 58.200 -0.378 0.000 0.937 91 S CB -0.128 62.678 63.200 -0.657 0.000 0.788 91 S HN 0.461 nan 8.310 nan 0.000 0.511 92 F N 1.033 121.090 119.950 0.179 0.000 2.706 92 F HA 0.498 5.025 4.527 0.000 0.000 0.313 92 F C 1.209 177.092 175.800 0.137 0.000 1.096 92 F CA 0.192 58.268 58.000 0.127 0.000 1.219 92 F CB 0.491 39.555 39.000 0.108 0.000 1.051 92 F HN 0.312 nan 8.300 nan 0.000 0.568 93 G N 0.331 109.341 108.800 0.349 0.000 2.757 93 G HA2 -0.064 3.897 3.960 0.000 0.000 0.638 93 G HA3 -0.064 3.897 3.960 0.000 0.000 0.638 93 G C -0.962 174.170 174.900 0.387 0.000 1.344 93 G CA -0.601 44.697 45.100 0.330 0.000 0.855 93 G HN 0.455 nan 8.290 nan 0.000 0.537 94 W N -1.179 120.293 121.300 0.286 0.000 2.937 94 W HA 0.796 5.456 4.660 0.000 0.000 0.360 94 W C -0.524 176.024 176.519 0.049 0.000 1.215 94 W CA -0.689 56.662 57.345 0.011 0.000 1.183 94 W CB 1.100 30.448 29.460 -0.186 0.000 1.458 94 W HN 1.426 nan 8.180 nan 0.000 0.574 95 R N 1.305 122.007 120.500 0.335 0.000 2.604 95 R HA 0.774 5.114 4.340 0.000 0.000 0.270 95 R C -1.946 174.582 176.300 0.381 0.000 1.052 95 R CA -1.054 55.254 56.100 0.347 0.000 0.902 95 R CB 2.535 32.918 30.300 0.138 0.000 1.233 95 R HN 0.603 nan 8.270 nan 0.000 0.455 96 M N 2.349 122.279 119.600 0.551 0.000 2.253 96 M HA 0.425 4.905 4.480 0.000 0.000 0.314 96 M C -1.479 175.053 176.300 0.387 0.000 1.019 96 M CA -0.248 55.364 55.300 0.519 0.000 0.932 96 M CB 2.659 35.678 32.600 0.698 0.000 1.606 96 M HN 0.840 nan 8.290 nan 0.000 0.430 97 T N 3.026 117.754 114.554 0.291 0.000 2.812 97 T HA 0.595 4.945 4.350 0.000 0.000 0.282 97 T C -0.872 173.967 174.700 0.231 0.000 0.990 97 T CA -0.517 61.722 62.100 0.232 0.000 0.960 97 T CB 1.647 70.601 68.868 0.143 0.000 0.948 97 T HN 0.646 nan 8.240 nan 0.000 0.438 98 T N 3.114 117.844 114.554 0.294 0.000 2.886 98 T HA 0.420 4.770 4.350 0.000 0.000 0.292 98 T C -0.719 174.201 174.700 0.367 0.000 1.012 98 T CA -0.809 61.478 62.100 0.311 0.000 0.982 98 T CB 1.699 70.787 68.868 0.367 0.000 1.018 98 T HN 0.523 nan 8.240 nan 0.000 0.451 99 E N 3.492 123.855 120.200 0.272 0.000 2.141 99 E HA 0.591 4.941 4.350 0.000 0.000 0.259 99 E C -0.364 176.429 176.600 0.322 0.000 0.883 99 E CA -0.498 56.062 56.400 0.267 0.000 0.744 99 E CB 1.317 31.089 29.700 0.119 0.000 1.150 99 E HN 0.646 nan 8.360 nan 0.000 0.420 100 M N 0.683 120.530 119.600 0.411 0.000 2.721 100 M HA 0.537 5.017 4.480 0.000 0.000 0.271 100 M C -1.933 174.452 176.300 0.141 0.000 1.259 100 M CA -1.136 54.284 55.300 0.200 0.000 0.835 100 M CB 2.238 34.602 32.600 -0.392 0.000 1.689 100 M HN 0.129 nan 8.290 nan 0.000 0.470 101 K N 0.710 120.951 120.400 -0.264 0.000 2.468 101 K HA 0.745 5.065 4.320 0.000 0.000 0.252 101 K C -1.871 174.618 176.600 -0.186 0.000 0.932 101 K CA -0.934 55.162 56.287 -0.319 0.000 0.794 101 K CB 2.512 34.477 32.500 -0.892 0.000 1.241 101 K HN 0.563 nan 8.250 nan 0.000 0.428 102 V N 5.206 125.095 119.914 -0.042 0.000 2.432 102 V HA 0.139 4.259 4.120 0.000 0.000 0.275 102 V C 1.120 177.199 176.094 -0.025 0.000 1.043 102 V CA -0.558 61.727 62.300 -0.025 0.000 0.925 102 V CB 0.882 32.718 31.823 0.021 0.000 0.985 102 V HN 0.820 nan 8.190 nan 0.000 0.466 103 L N 3.259 124.467 121.223 -0.025 0.000 2.168 103 L HA 0.179 4.519 4.340 0.000 0.000 0.203 103 L C 0.943 177.812 176.870 -0.001 0.000 1.078 103 L CA 0.937 55.767 54.840 -0.017 0.000 0.780 103 L CB 0.262 42.314 42.059 -0.013 0.000 0.939 103 L HN 0.878 nan 8.230 nan 0.000 0.451 104 S N -2.244 113.460 115.700 0.006 0.000 2.615 104 S HA 0.626 5.096 4.470 0.000 0.000 0.268 104 S C -0.186 174.419 174.600 0.009 0.000 1.146 104 S CA -0.283 57.921 58.200 0.007 0.000 0.818 104 S CB 1.472 64.675 63.200 0.005 0.000 1.111 104 S HN 0.477 nan 8.310 nan 0.000 0.465 105 G N 0.169 108.971 108.800 0.004 0.000 2.562 105 G HA2 0.372 4.332 3.960 0.000 0.000 0.250 105 G HA3 0.372 4.332 3.960 0.000 0.000 0.250 105 G C 0.241 175.139 174.900 -0.003 0.000 1.269 105 G CA 0.111 45.212 45.100 0.001 0.000 0.919 105 G HN 2.207 nan 8.290 nan 0.000 0.574 106 G N -3.966 104.832 108.800 -0.004 0.000 2.911 106 G HA2 0.619 4.579 3.960 0.000 0.000 0.299 106 G HA3 0.619 4.579 3.960 0.000 0.000 0.299 106 G C 0.400 175.297 174.900 -0.004 0.000 1.283 106 G CA 0.477 45.569 45.100 -0.013 0.000 0.805 106 G HN 1.704 nan 8.290 nan 0.000 0.548 107 M N -0.505 119.083 119.600 -0.020 0.000 2.302 107 M HA -0.125 4.355 4.480 0.000 0.000 0.200 107 M C -0.239 176.078 176.300 0.029 0.000 0.366 107 M CA 0.323 55.615 55.300 -0.012 0.000 0.440 107 M CB -1.797 30.797 32.600 -0.011 0.000 1.475 107 M HN 0.318 nan 8.290 nan 0.000 0.905 108 I N 1.393 121.983 120.570 0.033 0.000 2.294 108 I HA 0.171 4.341 4.170 0.000 0.000 0.295 108 I C 1.021 177.206 176.117 0.114 0.000 1.098 108 I CA 0.353 61.712 61.300 0.098 0.000 1.277 108 I CB 0.303 38.340 38.000 0.061 0.000 1.434 108 I HN 0.325 nan 8.210 nan 0.000 0.498 109 T N 2.956 117.625 114.554 0.192 0.000 2.821 109 T HA 0.449 4.799 4.350 0.000 0.000 0.307 109 T C -0.106 174.879 174.700 0.475 0.000 1.034 109 T CA -0.929 61.331 62.100 0.266 0.000 0.953 109 T CB 0.656 69.649 68.868 0.208 0.000 0.968 109 T HN 0.346 nan 8.240 nan 0.000 0.462 110 N N 4.079 123.061 118.700 0.470 0.000 2.511 110 N HA 0.472 5.212 4.740 0.000 0.000 0.249 110 N C -0.968 174.875 175.510 0.554 0.000 0.971 110 N CA -0.460 52.880 53.050 0.485 0.000 0.938 110 N CB 1.336 40.089 38.487 0.444 0.000 1.131 110 N HN 0.870 nan 8.380 nan 0.000 0.505 111 Y N -0.332 120.120 120.300 0.254 0.000 2.853 111 Y HA 0.628 5.178 4.550 0.000 0.000 0.326 111 Y C -2.014 173.963 175.900 0.129 0.000 1.384 111 Y CA -1.572 56.664 58.100 0.227 0.000 1.077 111 Y CB 0.949 39.517 38.460 0.179 0.000 1.395 111 Y HN 0.266 nan 8.280 nan 0.000 0.451 112 Y N 1.515 121.755 120.300 -0.101 0.000 2.386 112 Y HA 0.872 5.422 4.550 0.000 0.000 0.334 112 Y C -1.558 174.243 175.900 -0.165 0.000 1.002 112 Y CA -1.553 56.292 58.100 -0.425 0.000 1.068 112 Y CB 1.584 39.552 38.460 -0.819 0.000 1.203 112 Y HN 1.054 nan 8.280 nan 0.000 0.443 113 A N 4.626 127.114 122.820 -0.553 0.000 2.331 113 A HA 0.460 4.780 4.320 0.000 0.000 0.320 113 A C -0.448 176.696 177.584 -0.733 0.000 1.138 113 A CA -0.598 51.147 52.037 -0.488 0.000 0.790 113 A CB 0.462 19.394 19.000 -0.113 0.000 1.206 113 A HN 0.866 nan 8.150 nan 0.000 0.470 114 N N 1.387 119.644 118.700 -0.737 0.000 2.238 114 N HA 0.329 5.069 4.740 0.000 0.000 0.222 114 N C 0.885 176.023 175.510 -0.620 0.000 1.133 114 N CA 0.682 53.269 53.050 -0.771 0.000 0.854 114 N CB 0.743 38.891 38.487 -0.565 0.000 1.041 114 N HN 1.478 nan 8.380 nan 0.000 0.510 115 G N -1.215 107.362 108.800 -0.372 0.000 2.258 115 G HA2 -0.301 3.659 3.960 0.000 0.000 0.233 115 G HA3 -0.301 3.659 3.960 0.000 0.000 0.233 115 G C 0.926 175.730 174.900 -0.160 0.000 1.006 115 G CA 0.622 45.579 45.100 -0.239 0.000 0.620 115 G HN 0.414 nan 8.290 nan 0.000 0.511 116 T N 0.003 114.458 114.554 -0.165 0.000 2.989 116 T HA 0.375 4.725 4.350 0.000 0.000 0.250 116 T C 0.633 175.285 174.700 -0.081 0.000 0.981 116 T CA 1.473 63.515 62.100 -0.097 0.000 0.980 116 T CB 0.495 69.320 68.868 -0.071 0.000 1.133 116 T HN 1.008 nan 8.240 nan 0.000 0.489 117 Q N 0.847 120.579 119.800 -0.113 0.000 2.648 117 Q HA 0.707 5.047 4.340 0.000 0.000 0.300 117 Q C -1.594 174.336 176.000 -0.116 0.000 0.954 117 Q CA -1.369 54.389 55.803 -0.075 0.000 0.757 117 Q CB 2.032 30.756 28.738 -0.024 0.000 1.482 117 Q HN 0.270 nan 8.270 nan 0.000 0.437 118 R N -1.071 119.408 120.500 -0.036 0.000 2.690 118 R HA 0.659 5.000 4.340 0.000 0.000 0.269 118 R C -1.875 174.498 176.300 0.122 0.000 1.037 118 R CA -0.927 55.176 56.100 0.005 0.000 0.877 118 R CB 1.423 31.748 30.300 0.040 0.000 1.255 118 R HN 0.346 nan 8.270 nan 0.000 0.467 119 V N 2.674 122.739 119.914 0.252 0.000 2.334 119 V HA 0.368 4.488 4.120 0.000 0.000 0.281 119 V C -0.972 175.313 176.094 0.318 0.000 1.016 119 V CA -0.717 61.781 62.300 0.329 0.000 0.832 119 V CB 1.205 33.340 31.823 0.520 0.000 0.999 119 V HN 0.594 nan 8.190 nan 0.000 0.439 120 L N 9.564 130.898 121.223 0.185 0.000 2.324 120 L HA 0.693 5.033 4.340 0.000 0.000 0.274 120 L C -2.712 174.201 176.870 0.072 0.000 1.012 120 L CA -1.745 53.123 54.840 0.046 0.000 0.859 120 L CB 1.711 43.636 42.059 -0.223 0.000 1.224 120 L HN 0.357 nan 8.230 nan 0.000 0.429 121 P HA 0.434 nan 4.420 nan 0.000 0.292 121 P C -0.948 176.212 177.300 -0.234 0.000 1.287 121 P CA -0.055 62.925 63.100 -0.200 0.000 0.800 121 P CB 1.111 32.760 31.700 -0.084 0.000 0.945 122 I N 4.554 124.900 120.570 -0.374 0.000 2.354 122 I HA 0.369 4.539 4.170 0.000 0.000 0.286 122 I C 0.122 176.084 176.117 -0.259 0.000 1.007 122 I CA -0.528 60.629 61.300 -0.238 0.000 1.167 122 I CB 0.874 38.755 38.000 -0.199 0.000 1.320 122 I HN 0.121 nan 8.210 nan 0.000 0.458 123 I N 5.890 126.359 120.570 -0.169 0.000 2.428 123 I HA 0.492 4.662 4.170 0.000 0.000 0.296 123 I C 0.258 176.322 176.117 -0.088 0.000 0.985 123 I CA 0.020 61.233 61.300 -0.145 0.000 1.260 123 I CB 1.776 39.687 38.000 -0.148 0.000 1.389 123 I HN 0.692 nan 8.210 nan 0.000 0.484 124 S N 5.772 121.428 115.700 -0.074 0.000 2.636 124 S HA 0.613 5.083 4.470 0.000 0.000 0.268 124 S C -1.312 173.269 174.600 -0.032 0.000 1.159 124 S CA -1.071 57.102 58.200 -0.045 0.000 0.815 124 S CB 1.282 64.451 63.200 -0.052 0.000 1.130 124 S HN 0.423 nan 8.310 nan 0.000 0.471 125 L N 2.170 123.382 121.223 -0.018 0.000 2.307 125 L HA 0.531 4.871 4.340 0.000 0.000 0.284 125 L C -0.285 176.574 176.870 -0.018 0.000 1.023 125 L CA -0.854 53.980 54.840 -0.011 0.000 0.810 125 L CB 1.372 43.432 42.059 0.002 0.000 1.231 125 L HN 0.898 nan 8.230 nan 0.000 0.423 126 D N 0.403 120.790 120.400 -0.021 0.000 2.447 126 D HA 0.027 4.667 4.640 0.000 0.000 0.265 126 D C 1.129 177.421 176.300 -0.014 0.000 1.250 126 D CA -0.352 53.635 54.000 -0.022 0.000 1.046 126 D CB 0.509 41.294 40.800 -0.025 0.000 1.095 126 D HN 0.476 nan 8.370 nan 0.000 0.555 127 S N -1.364 114.328 115.700 -0.013 0.000 2.500 127 S HA -0.129 4.341 4.470 0.000 0.000 0.239 127 S C 1.424 176.020 174.600 -0.006 0.000 0.989 127 S CA 0.735 58.929 58.200 -0.009 0.000 0.951 127 S CB -0.519 62.675 63.200 -0.010 0.000 0.759 127 S HN 0.372 nan 8.310 nan 0.000 0.523 128 S N 0.099 115.796 115.700 -0.006 0.000 2.524 128 S HA 0.497 4.968 4.470 0.000 0.000 0.215 128 S C 1.433 176.034 174.600 0.001 0.000 0.986 128 S CA 0.244 58.443 58.200 -0.002 0.000 0.911 128 S CB 0.383 63.581 63.200 -0.003 0.000 0.805 128 S HN 0.988 nan 8.310 nan 0.000 0.501 129 G N 2.182 110.982 108.800 0.000 0.000 2.176 129 G HA2 -0.209 3.751 3.960 0.000 0.000 0.232 129 G HA3 -0.209 3.751 3.960 0.000 0.000 0.232 129 G C -0.218 174.688 174.900 0.009 0.000 0.986 129 G CA -0.507 44.597 45.100 0.006 0.000 0.643 129 G HN 0.437 nan 8.290 nan 0.000 0.522 130 N N 0.237 118.937 118.700 0.001 0.000 2.508 130 N HA 0.407 5.147 4.740 0.000 0.000 0.264 130 N C 0.015 175.518 175.510 -0.012 0.000 1.216 130 N CA -0.243 52.805 53.050 -0.004 0.000 0.943 130 N CB 1.620 40.097 38.487 -0.016 0.000 1.113 130 N HN 0.321 nan 8.380 nan 0.000 0.447 131 L N 2.597 123.811 121.223 -0.014 0.000 2.290 131 L HA 0.353 4.693 4.340 0.000 0.000 0.284 131 L C -0.245 176.576 176.870 -0.082 0.000 1.078 131 L CA -0.335 54.492 54.840 -0.022 0.000 0.815 131 L CB 0.586 42.653 42.059 0.013 0.000 1.162 131 L HN 0.384 nan 8.230 nan 0.000 0.435 132 V N 3.581 123.447 119.914 -0.081 0.000 3.160 132 V HA 0.860 4.980 4.120 0.000 0.000 0.310 132 V C -1.290 174.712 176.094 -0.153 0.000 1.181 132 V CA -0.785 61.444 62.300 -0.117 0.000 1.047 132 V CB 1.829 33.594 31.823 -0.097 0.000 1.068 132 V HN 0.657 nan 8.190 nan 0.000 0.441 133 V N 0.961 120.744 119.914 -0.218 0.000 2.841 133 V HA 0.759 4.879 4.120 0.000 0.000 0.310 133 V C -0.795 175.004 176.094 -0.493 0.000 1.090 133 V CA -0.074 61.986 62.300 -0.400 0.000 0.930 133 V CB 2.139 33.637 31.823 -0.541 0.000 1.014 133 V HN 1.193 nan 8.190 nan 0.000 0.425 134 E N 4.355 124.181 120.200 -0.624 0.000 2.359 134 E HA 0.647 4.997 4.350 0.000 0.000 0.266 134 E C -1.970 174.156 176.600 -0.790 0.000 0.920 134 E CA -0.538 55.568 56.400 -0.491 0.000 0.788 134 E CB 2.855 32.410 29.700 -0.241 0.000 1.279 134 E HN 0.553 nan 8.360 nan 0.000 0.438 135 F N 0.696 120.578 119.950 -0.113 0.000 2.539 135 F HA 0.230 4.757 4.527 0.000 0.000 0.318 135 F C 0.267 176.028 175.800 -0.064 0.000 1.135 135 F CA -0.905 57.038 58.000 -0.096 0.000 0.915 135 F CB 1.783 40.734 39.000 -0.081 0.000 1.176 135 F HN 0.358 nan 8.300 nan 0.000 0.440 136 E N 1.425 121.678 120.200 0.089 0.000 2.442 136 E HA 0.336 4.686 4.350 0.000 0.000 0.262 136 E C 1.144 177.787 176.600 0.070 0.000 1.004 136 E CA 1.245 57.666 56.400 0.036 0.000 0.928 136 E CB 0.521 30.215 29.700 -0.010 0.000 0.937 136 E HN 0.946 nan 8.360 nan 0.000 0.446 137 G N 3.157 111.982 108.800 0.042 0.000 2.176 137 G HA2 -0.303 3.657 3.960 0.000 0.000 0.253 137 G HA3 -0.303 3.657 3.960 0.000 0.000 0.253 137 G C 0.071 174.998 174.900 0.045 0.000 0.979 137 G CA 0.394 45.518 45.100 0.040 0.000 0.641 137 G HN 0.544 nan 8.290 nan 0.000 0.530 138 Q N -0.062 119.779 119.800 0.067 0.000 2.372 138 Q HA 0.589 4.929 4.340 0.000 0.000 0.273 138 Q C -0.513 175.520 176.000 0.055 0.000 1.078 138 Q CA -0.245 55.599 55.803 0.070 0.000 0.806 138 Q CB 2.229 31.041 28.738 0.124 0.000 1.332 138 Q HN 0.212 nan 8.270 nan 0.000 0.435 139 T N 0.557 115.132 114.554 0.036 0.000 2.907 139 T HA 0.740 5.090 4.350 0.000 0.000 0.284 139 T C 0.276 174.990 174.700 0.023 0.000 1.004 139 T CA 0.861 62.973 62.100 0.020 0.000 1.063 139 T CB 0.773 69.647 68.868 0.010 0.000 0.992 139 T HN 0.891 nan 8.240 nan 0.000 0.483 140 G N 3.098 111.903 108.800 0.008 0.000 2.526 140 G HA2 0.121 4.081 3.960 0.000 0.000 0.250 140 G HA3 0.121 4.081 3.960 0.000 0.000 0.250 140 G C -0.761 174.134 174.900 -0.007 0.000 1.289 140 G CA -0.147 44.955 45.100 0.004 0.000 0.947 140 G HN 1.166 nan 8.290 nan 0.000 0.517 141 R N -2.001 118.492 120.500 -0.011 0.000 2.734 141 R HA 0.778 5.118 4.340 0.000 0.000 0.271 141 R C -1.468 174.819 176.300 -0.022 0.000 1.021 141 R CA -0.536 55.541 56.100 -0.039 0.000 0.893 141 R CB 1.349 31.613 30.300 -0.060 0.000 1.244 141 R HN 0.801 nan 8.270 nan 0.000 0.464 142 T N 1.474 116.002 114.554 -0.043 0.000 2.881 142 T HA 0.295 4.645 4.350 0.000 0.000 0.291 142 T C -0.644 174.014 174.700 -0.070 0.000 0.990 142 T CA -0.613 61.472 62.100 -0.024 0.000 0.976 142 T CB 1.654 70.542 68.868 0.032 0.000 0.970 142 T HN 0.361 nan 8.240 nan 0.000 0.438 143 V N 5.505 125.380 119.914 -0.064 0.000 2.470 143 V HA 0.172 4.292 4.120 0.000 0.000 0.276 143 V C 1.175 177.184 176.094 -0.141 0.000 1.040 143 V CA 0.087 62.334 62.300 -0.089 0.000 1.008 143 V CB 0.496 32.286 31.823 -0.055 0.000 0.990 143 V HN 0.845 nan 8.190 nan 0.000 0.477 144 L N 3.930 125.000 121.223 -0.256 0.000 2.253 144 L HA 0.492 4.832 4.340 0.000 0.000 0.205 144 L C 0.916 177.551 176.870 -0.392 0.000 1.078 144 L CA 0.921 55.438 54.840 -0.538 0.000 0.805 144 L CB 0.047 41.463 42.059 -1.071 0.000 0.963 144 L HN 0.761 nan 8.230 nan 0.000 0.459 145 A N -0.582 122.113 122.820 -0.209 0.000 2.612 145 A HA 0.643 4.963 4.320 0.000 0.000 0.293 145 A C -0.603 176.982 177.584 0.002 0.000 1.075 145 A CA -0.149 51.865 52.037 -0.039 0.000 0.680 145 A CB 1.358 20.380 19.000 0.037 0.000 1.279 145 A HN 0.049 nan 8.150 nan 0.000 0.411 146 T N -1.731 112.846 114.554 0.040 0.000 2.838 146 T HA 0.886 5.236 4.350 0.000 0.000 0.292 146 T C 0.765 175.499 174.700 0.055 0.000 1.113 146 T CA 0.463 62.584 62.100 0.036 0.000 1.008 146 T CB 1.002 69.883 68.868 0.023 0.000 1.259 146 T HN 2.768 nan 8.240 nan 0.000 0.520 147 G N 1.014 109.841 108.800 0.044 0.000 2.569 147 G HA2 -0.281 3.679 3.960 0.000 0.000 0.259 147 G HA3 -0.281 3.679 3.960 0.000 0.000 0.259 147 G C 1.036 175.970 174.900 0.058 0.000 1.263 147 G CA 1.340 46.467 45.100 0.046 0.000 0.928 147 G HN 2.072 nan 8.290 nan 0.000 0.572 148 T N -1.471 113.117 114.554 0.057 0.000 2.881 148 T HA 0.183 4.533 4.350 0.000 0.000 0.270 148 T C 2.608 177.360 174.700 0.088 0.000 1.068 148 T CA 2.612 64.748 62.100 0.059 0.000 1.131 148 T CB -0.486 68.410 68.868 0.047 0.000 0.871 148 T HN 1.998 nan 8.240 nan 0.000 0.479 149 A N 1.809 124.701 122.820 0.120 0.000 1.972 149 A HA 0.321 4.641 4.320 0.000 0.000 0.219 149 A C 2.814 180.576 177.584 0.296 0.000 1.169 149 A CA 1.635 53.797 52.037 0.208 0.000 0.635 149 A CB -1.322 17.813 19.000 0.225 0.000 0.810 149 A HN 0.751 nan 8.150 nan 0.000 0.446 150 A N -0.289 122.641 122.820 0.183 0.000 1.978 150 A HA -0.086 4.234 4.320 0.000 0.000 0.220 150 A C 1.988 179.676 177.584 0.173 0.000 1.170 150 A CA 2.158 54.291 52.037 0.161 0.000 0.636 150 A CB -0.954 18.094 19.000 0.081 0.000 0.810 150 A HN 0.850 nan 8.150 nan 0.000 0.448 151 T N -2.256 112.371 114.554 0.122 0.000 3.248 151 T HA 0.422 4.772 4.350 0.000 0.000 0.271 151 T C -0.000 174.697 174.700 -0.005 0.000 1.005 151 T CA -0.410 61.724 62.100 0.056 0.000 0.902 151 T CB 0.046 68.926 68.868 0.020 0.000 1.102 151 T HN 0.493 nan 8.240 nan 0.000 0.548 152 E N 0.409 120.625 120.200 0.027 0.000 2.243 152 E HA 0.437 4.787 4.350 0.000 0.000 0.260 152 E C -1.076 175.360 176.600 -0.274 0.000 0.985 152 E CA -1.175 55.154 56.400 -0.118 0.000 0.858 152 E CB 1.103 30.746 29.700 -0.096 0.000 1.210 152 E HN 0.290 nan 8.360 nan 0.000 0.411 153 Y N 0.555 120.724 120.300 -0.219 0.000 2.497 153 Y HA 0.114 4.664 4.550 0.000 0.000 0.334 153 Y C 0.183 175.785 175.900 -0.497 0.000 1.199 153 Y CA 0.987 58.972 58.100 -0.191 0.000 1.425 153 Y CB 0.402 38.798 38.460 -0.107 0.000 1.291 153 Y HN 0.433 nan 8.280 nan 0.000 0.562 154 H N -0.101 119.065 119.070 0.161 0.000 2.985 154 H HA 0.376 4.932 4.556 0.000 0.000 0.360 154 H C -1.178 174.005 175.328 -0.242 0.000 1.221 154 H CA -1.334 54.593 56.048 -0.203 0.000 1.121 154 H CB 1.617 31.098 29.762 -0.469 0.000 1.854 154 H HN 0.399 nan 8.280 nan 0.000 0.551 155 K N 1.964 122.167 120.400 -0.328 0.000 2.265 155 K HA 0.382 4.702 4.320 0.000 0.000 0.267 155 K C -1.591 174.798 176.600 -0.352 0.000 0.994 155 K CA -0.471 55.709 56.287 -0.180 0.000 0.860 155 K CB 0.534 32.960 32.500 -0.124 0.000 1.099 155 K HN 0.300 nan 8.250 nan 0.000 0.448 156 F N 2.477 122.480 119.950 0.088 0.000 2.458 156 F HA 0.385 4.912 4.527 0.000 0.000 0.336 156 F C 0.218 176.032 175.800 0.025 0.000 1.114 156 F CA -0.684 57.341 58.000 0.041 0.000 0.987 156 F CB 1.696 40.814 39.000 0.197 0.000 1.130 156 F HN 0.327 nan 8.300 nan 0.000 0.458 157 E N 3.141 123.385 120.200 0.073 0.000 2.234 157 E HA 0.466 4.816 4.350 0.000 0.000 0.266 157 E C -1.671 175.087 176.600 0.262 0.000 0.877 157 E CA -1.040 55.462 56.400 0.171 0.000 0.758 157 E CB 3.247 33.002 29.700 0.092 0.000 1.170 157 E HN 0.393 nan 8.360 nan 0.000 0.415 158 L N 3.462 124.929 121.223 0.406 0.000 2.343 158 L HA 0.361 4.701 4.340 0.000 0.000 0.278 158 L C -1.463 175.636 176.870 0.382 0.000 0.996 158 L CA -0.755 54.402 54.840 0.529 0.000 0.831 158 L CB 1.600 44.110 42.059 0.752 0.000 1.232 158 L HN 0.255 nan 8.230 nan 0.000 0.413 159 V N 5.610 125.683 119.914 0.264 0.000 2.409 159 V HA 0.419 4.539 4.120 0.000 0.000 0.291 159 V C -0.677 175.344 176.094 -0.123 0.000 1.020 159 V CA -0.551 61.782 62.300 0.055 0.000 0.848 159 V CB 1.394 33.280 31.823 0.105 0.000 0.990 159 V HN 0.606 nan 8.190 nan 0.000 0.430 160 F N 6.192 125.740 119.950 -0.669 0.000 2.411 160 F HA 0.697 5.224 4.527 0.000 0.000 0.352 160 F C -0.627 174.929 175.800 -0.407 0.000 1.123 160 F CA -0.644 56.916 58.000 -0.734 0.000 1.044 160 F CB 1.003 39.015 39.000 -1.646 0.000 1.135 160 F HN 0.319 nan 8.300 nan 0.000 0.461 161 L N 8.643 129.356 121.223 -0.850 0.000 2.307 161 L HA 0.514 4.854 4.340 0.000 0.000 0.284 161 L C -2.079 174.271 176.870 -0.867 0.000 1.023 161 L CA -2.058 52.412 54.840 -0.616 0.000 0.810 161 L CB 1.718 43.575 42.059 -0.336 0.000 1.231 161 L HN 0.488 nan 8.230 nan 0.000 0.423 162 P HA 0.413 nan 4.420 nan 0.000 0.274 162 P C -0.267 176.899 177.300 -0.223 0.000 1.246 162 P CA 0.030 62.942 63.100 -0.314 0.000 0.795 162 P CB 1.633 33.257 31.700 -0.127 0.000 1.006 163 G N -0.658 108.065 108.800 -0.128 0.000 2.356 163 G HA2 0.151 4.111 3.960 0.000 0.000 0.300 163 G HA3 0.151 4.111 3.960 0.000 0.000 0.300 163 G C 0.632 175.510 174.900 -0.037 0.000 1.331 163 G CA 0.148 45.196 45.100 -0.086 0.000 0.905 163 G HN 0.424 nan 8.290 nan 0.000 0.587 164 S N -0.726 114.960 115.700 -0.024 0.000 2.399 164 S HA -0.010 4.460 4.470 0.000 0.000 0.231 164 S C 0.809 175.414 174.600 0.009 0.000 1.022 164 S CA 1.462 59.661 58.200 -0.001 0.000 0.983 164 S CB -0.019 63.180 63.200 -0.002 0.000 0.803 164 S HN 0.522 nan 8.310 nan 0.000 0.480 165 N N 2.753 121.448 118.700 -0.009 0.000 2.813 165 N HA 0.338 5.078 4.740 0.000 0.000 0.282 165 N C -2.951 172.545 175.510 -0.024 0.000 1.748 165 N CA -0.991 52.059 53.050 0.000 0.000 0.860 165 N CB 1.219 39.702 38.487 -0.007 0.000 1.204 165 N HN 0.450 nan 8.380 nan 0.000 0.490 166 P HA 0.079 nan 4.420 nan 0.000 0.268 166 P C -0.148 177.134 177.300 -0.029 0.000 1.205 166 P CA 0.209 63.229 63.100 -0.133 0.000 0.771 166 P CB 1.047 32.717 31.700 -0.051 0.000 0.858 167 S N 0.842 116.437 115.700 -0.176 0.000 2.685 167 S HA 0.862 5.332 4.470 0.000 0.000 0.282 167 S C -1.071 173.518 174.600 -0.018 0.000 1.159 167 S CA -0.895 57.303 58.200 -0.004 0.000 0.833 167 S CB 1.666 64.845 63.200 -0.035 0.000 1.151 167 S HN 0.700 nan 8.310 nan 0.000 0.485 168 A N 0.857 123.737 122.820 0.101 0.000 2.413 168 A HA 0.917 5.237 4.320 0.000 0.000 0.307 168 A C -0.272 177.344 177.584 0.054 0.000 1.087 168 A CA -0.673 51.431 52.037 0.112 0.000 0.750 168 A CB 1.518 20.675 19.000 0.263 0.000 1.296 168 A HN 1.660 nan 8.150 nan 0.000 0.423 169 S N 0.076 115.835 115.700 0.097 0.000 2.513 169 S HA 0.768 5.238 4.470 0.000 0.000 0.299 169 S C -0.977 173.705 174.600 0.137 0.000 1.087 169 S CA -0.467 57.743 58.200 0.018 0.000 1.012 169 S CB 1.289 64.482 63.200 -0.012 0.000 1.044 169 S HN 0.875 nan 8.310 nan 0.000 0.485 170 F N 2.523 122.364 119.950 -0.182 0.000 2.458 170 F HA 0.687 5.214 4.527 0.000 0.000 0.336 170 F C -1.693 174.020 175.800 -0.144 0.000 1.114 170 F CA -0.894 57.155 58.000 0.081 0.000 0.987 170 F CB 0.986 40.167 39.000 0.302 0.000 1.130 170 F HN 0.643 nan 8.300 nan 0.000 0.458 171 Y N 5.825 125.969 120.300 -0.259 0.000 2.446 171 Y HA 0.470 5.020 4.550 0.000 0.000 0.345 171 Y C -1.145 174.620 175.900 -0.224 0.000 0.984 171 Y CA -1.331 56.694 58.100 -0.125 0.000 1.058 171 Y CB 1.622 40.046 38.460 -0.059 0.000 1.220 171 Y HN 0.505 nan 8.280 nan 0.000 0.455 172 F N 4.063 123.972 119.950 -0.068 0.000 2.403 172 F HA 0.426 4.953 4.527 0.000 0.000 0.355 172 F C -0.147 175.585 175.800 -0.114 0.000 1.119 172 F CA -1.249 56.650 58.000 -0.168 0.000 1.007 172 F CB 0.725 39.694 39.000 -0.051 0.000 1.194 172 F HN 0.667 nan 8.300 nan 0.000 0.443 173 D N 4.715 124.739 120.400 -0.627 0.000 2.708 173 D HA -0.184 4.456 4.640 0.000 0.000 0.236 173 D C 1.268 177.468 176.300 -0.167 0.000 1.146 173 D CA 1.762 55.490 54.000 -0.452 0.000 0.662 173 D CB -1.099 39.347 40.800 -0.589 0.000 1.059 173 D HN 1.241 nan 8.370 nan 0.000 0.428 174 G N -0.517 108.242 108.800 -0.069 0.000 2.179 174 G HA2 -0.378 3.582 3.960 0.000 0.000 0.260 174 G HA3 -0.378 3.582 3.960 0.000 0.000 0.260 174 G C 0.360 175.336 174.900 0.128 0.000 0.977 174 G CA 0.706 45.816 45.100 0.015 0.000 0.641 174 G HN 0.606 nan 8.290 nan 0.000 0.533 175 K N 0.380 120.873 120.400 0.156 0.000 2.185 175 K HA 0.626 4.947 4.320 0.000 0.000 0.269 175 K C 0.214 176.948 176.600 0.223 0.000 0.987 175 K CA -1.131 55.270 56.287 0.190 0.000 0.865 175 K CB 0.921 33.506 32.500 0.142 0.000 1.090 175 K HN 0.175 nan 8.250 nan 0.000 0.450 176 L N 6.390 127.712 121.223 0.166 0.000 2.534 176 L HA 0.010 4.350 4.340 0.000 0.000 0.271 176 L C 0.404 177.242 176.870 -0.053 0.000 1.178 176 L CA 0.574 55.331 54.840 -0.139 0.000 0.907 176 L CB 0.275 42.267 42.059 -0.112 0.000 1.164 176 L HN 0.768 nan 8.230 nan 0.000 0.482 177 I N 3.145 123.693 120.570 -0.037 0.000 3.136 177 I HA 0.259 4.429 4.170 0.000 0.000 0.262 177 I C 0.624 176.780 176.117 0.064 0.000 1.132 177 I CA 0.357 61.730 61.300 0.123 0.000 1.450 177 I CB -0.465 37.764 38.000 0.382 0.000 1.315 177 I HN 0.625 nan 8.210 nan 0.000 0.460 178 R N 1.288 121.794 120.500 0.011 0.000 2.538 178 R HA 0.424 4.764 4.340 0.000 0.000 0.292 178 R C -1.516 174.656 176.300 -0.213 0.000 1.008 178 R CA -0.414 55.601 56.100 -0.141 0.000 0.896 178 R CB 1.409 31.476 30.300 -0.387 0.000 1.187 178 R HN 0.023 nan 8.270 nan 0.000 0.440 179 D N 1.153 121.443 120.400 -0.183 0.000 2.392 179 D HA 0.392 5.032 4.640 0.000 0.000 0.246 179 D C -0.489 175.731 176.300 -0.133 0.000 1.013 179 D CA -0.011 53.897 54.000 -0.152 0.000 0.993 179 D CB 0.948 41.678 40.800 -0.118 0.000 1.219 179 D HN 0.575 nan 8.370 nan 0.000 0.538 180 N N 0.691 119.334 118.700 -0.095 0.000 2.727 180 N HA -0.192 4.549 4.740 0.000 0.000 0.249 180 N C -0.548 174.917 175.510 -0.075 0.000 1.048 180 N CA 0.497 53.504 53.050 -0.073 0.000 0.714 180 N CB -1.221 37.228 38.487 -0.064 0.000 0.959 180 N HN 0.475 nan 8.380 nan 0.000 0.544 181 I N 1.188 121.704 120.570 -0.090 0.000 2.505 181 I HA -0.031 4.139 4.170 0.000 0.000 0.287 181 I C 0.945 177.077 176.117 0.025 0.000 1.104 181 I CA 0.037 61.279 61.300 -0.097 0.000 1.387 181 I CB 0.481 38.382 38.000 -0.165 0.000 1.404 181 I HN -0.144 nan 8.210 nan 0.000 0.528 182 Q N 7.699 127.515 119.800 0.028 0.000 2.314 182 Q HA 0.320 4.660 4.340 0.000 0.000 0.258 182 Q C -2.169 173.897 176.000 0.110 0.000 0.954 182 Q CA -1.852 53.995 55.803 0.073 0.000 0.890 182 Q CB 0.457 29.223 28.738 0.046 0.000 1.210 182 Q HN 0.333 nan 8.270 nan 0.000 0.410 183 P HA 0.068 nan 4.420 nan 0.000 0.271 183 P C -0.532 176.821 177.300 0.089 0.000 1.218 183 P CA 0.037 63.226 63.100 0.148 0.000 0.780 183 P CB 0.612 32.414 31.700 0.170 0.000 0.901 184 T N -1.098 113.497 114.554 0.068 0.000 2.918 184 T HA 0.723 5.074 4.350 0.000 0.000 0.286 184 T C -0.076 174.632 174.700 0.014 0.000 1.026 184 T CA -1.055 61.067 62.100 0.036 0.000 1.031 184 T CB 1.294 70.179 68.868 0.027 0.000 1.046 184 T HN 0.371 nan 8.240 nan 0.000 0.479 185 A N 1.535 124.357 122.820 0.004 0.000 2.511 185 A HA 0.571 4.891 4.320 0.000 0.000 0.242 185 A C 0.530 178.101 177.584 -0.021 0.000 1.069 185 A CA -0.249 51.782 52.037 -0.010 0.000 0.763 185 A CB -0.367 18.629 19.000 -0.008 0.000 1.001 185 A HN 1.295 nan 8.150 nan 0.000 0.498 186 S N 0.610 116.290 115.700 -0.034 0.000 2.558 186 S HA 0.484 4.954 4.470 0.000 0.000 0.277 186 S C -0.263 174.305 174.600 -0.052 0.000 1.143 186 S CA -0.606 57.572 58.200 -0.038 0.000 0.865 186 S CB 1.099 64.278 63.200 -0.034 0.000 1.102 186 S HN 0.547 nan 8.310 nan 0.000 0.454 187 K N 1.567 121.940 120.400 -0.044 0.000 2.367 187 K HA 0.324 4.644 4.320 0.000 0.000 0.194 187 K C 0.547 177.112 176.600 -0.058 0.000 1.027 187 K CA 0.295 56.551 56.287 -0.052 0.000 1.075 187 K CB 0.110 32.588 32.500 -0.038 0.000 0.845 187 K HN 0.563 nan 8.250 nan 0.000 0.529 188 Q N 0.848 120.622 119.800 -0.043 0.000 2.432 188 Q HA 0.050 4.390 4.340 0.000 0.000 0.264 188 Q C -0.242 175.703 176.000 -0.091 0.000 1.035 188 Q CA 0.337 56.120 55.803 -0.034 0.000 0.908 188 Q CB 0.406 29.166 28.738 0.036 0.000 1.280 188 Q HN -0.027 nan 8.270 nan 0.000 0.455 189 N N 2.988 121.638 118.700 -0.082 0.000 2.640 189 N HA 0.338 5.078 4.740 0.000 0.000 0.262 189 N C -1.616 173.875 175.510 -0.032 0.000 1.174 189 N CA -0.071 52.920 53.050 -0.099 0.000 0.791 189 N CB 0.558 38.999 38.487 -0.077 0.000 1.279 189 N HN 0.739 nan 8.380 nan 0.000 0.535 190 M N 0.202 119.769 119.600 -0.056 0.000 3.019 190 M HA 0.393 4.873 4.480 0.000 0.000 0.256 190 M C -1.819 174.394 176.300 -0.144 0.000 0.911 190 M CA -0.776 54.486 55.300 -0.062 0.000 0.794 190 M CB 1.135 33.693 32.600 -0.070 0.000 1.643 190 M HN -0.085 nan 8.290 nan 0.000 0.572 191 I N 2.253 122.725 120.570 -0.164 0.000 2.365 191 I HA 0.677 4.847 4.170 0.000 0.000 0.291 191 I C -0.707 175.398 176.117 -0.020 0.000 1.004 191 I CA -0.902 60.252 61.300 -0.244 0.000 1.311 191 I CB 1.635 39.400 38.000 -0.392 0.000 1.401 191 I HN 0.440 nan 8.210 nan 0.000 0.491 192 V N 5.977 125.785 119.914 -0.177 0.000 2.876 192 V HA 0.568 4.688 4.120 0.000 0.000 0.312 192 V C -1.103 175.060 176.094 0.115 0.000 1.085 192 V CA -0.612 61.622 62.300 -0.111 0.000 0.945 192 V CB 2.170 33.716 31.823 -0.461 0.000 1.017 192 V HN 0.841 nan 8.190 nan 0.000 0.428 193 W N 2.074 123.338 121.300 -0.059 0.000 3.256 193 W HA 0.830 5.490 4.660 0.000 0.000 0.324 193 W C -0.108 176.363 176.519 -0.081 0.000 1.196 193 W CA -0.373 56.931 57.345 -0.069 0.000 1.206 193 W CB 1.113 30.426 29.460 -0.245 0.000 1.385 193 W HN 1.191 nan 8.180 nan 0.000 0.522 194 G N 2.090 111.041 108.800 0.251 0.000 2.250 194 G HA2 -0.070 3.890 3.960 0.000 0.000 0.252 194 G HA3 -0.070 3.890 3.960 0.000 0.000 0.252 194 G C -1.789 173.243 174.900 0.220 0.000 1.325 194 G CA -0.655 44.553 45.100 0.180 0.000 1.091 194 G HN 0.845 nan 8.290 nan 0.000 0.476 195 N N 0.894 119.666 118.700 0.121 0.000 2.589 195 N HA 0.520 5.260 4.740 0.000 0.000 0.232 195 N C 0.721 176.257 175.510 0.042 0.000 1.015 195 N CA 0.616 53.721 53.050 0.091 0.000 0.931 195 N CB 0.876 39.406 38.487 0.071 0.000 1.150 195 N HN 1.119 nan 8.380 nan 0.000 0.512 196 G N 1.752 110.594 108.800 0.069 0.000 3.581 196 G HA2 0.235 4.195 3.960 0.000 0.000 0.255 196 G HA3 0.235 4.195 3.960 0.000 0.000 0.255 196 G C -0.421 174.490 174.900 0.018 0.000 1.121 196 G CA -0.283 44.851 45.100 0.057 0.000 1.739 196 G HN 0.492 nan 8.290 nan 0.000 0.646 197 S N -0.884 114.815 115.700 -0.001 0.000 2.562 197 S HA 0.430 4.900 4.470 0.000 0.000 0.274 197 S C 0.958 175.546 174.600 -0.019 0.000 1.160 197 S CA -0.446 57.746 58.200 -0.012 0.000 0.933 197 S CB 1.485 64.677 63.200 -0.013 0.000 1.100 197 S HN 0.074 nan 8.310 nan 0.000 0.468 198 S N 3.425 119.111 115.700 -0.024 0.000 2.414 198 S HA -0.065 4.405 4.470 0.000 0.000 0.227 198 S C 1.630 176.217 174.600 -0.022 0.000 1.022 198 S CA 1.578 59.762 58.200 -0.027 0.000 0.958 198 S CB -0.315 62.867 63.200 -0.029 0.000 0.797 198 S HN 0.901 nan 8.310 nan 0.000 0.493 199 N N 0.647 119.335 118.700 -0.020 0.000 2.387 199 N HA 0.000 4.740 4.740 0.000 0.000 0.176 199 N C 0.082 175.582 175.510 -0.016 0.000 1.022 199 N CA 0.572 53.611 53.050 -0.018 0.000 0.883 199 N CB -0.483 37.993 38.487 -0.018 0.000 1.019 199 N HN -0.033 nan 8.380 nan 0.000 0.435 200 T N 1.769 116.314 114.554 -0.015 0.000 2.729 200 T HA 0.157 4.507 4.350 0.000 0.000 0.296 200 T C -0.983 173.713 174.700 -0.007 0.000 0.928 200 T CA -0.427 61.665 62.100 -0.013 0.000 1.045 200 T CB 0.636 69.495 68.868 -0.016 0.000 0.902 200 T HN 0.121 nan 8.240 nan 0.000 0.500 201 D N 2.514 122.910 120.400 -0.006 0.000 2.389 201 D HA 0.470 5.110 4.640 0.000 0.000 0.247 201 D C 0.447 176.751 176.300 0.007 0.000 1.128 201 D CA 0.257 54.257 54.000 -0.000 0.000 0.884 201 D CB 1.291 42.090 40.800 -0.001 0.000 1.194 201 D HN 0.714 nan 8.370 nan 0.000 0.441 202 G N -0.169 108.642 108.800 0.018 0.000 2.753 202 G HA2 0.523 4.483 3.960 0.000 0.000 0.297 202 G HA3 0.523 4.483 3.960 0.000 0.000 0.297 202 G C -1.422 173.509 174.900 0.051 0.000 1.430 202 G CA -0.483 44.637 45.100 0.033 0.000 1.040 202 G HN 0.308 nan 8.290 nan 0.000 0.530 203 V N 0.610 120.556 119.914 0.053 0.000 2.569 203 V HA 0.874 4.994 4.120 0.000 0.000 0.301 203 V C 0.028 176.164 176.094 0.070 0.000 1.044 203 V CA -0.410 61.929 62.300 0.066 0.000 0.874 203 V CB 1.235 33.079 31.823 0.035 0.000 1.002 203 V HN 1.469 nan 8.190 nan 0.000 0.424 204 A N 3.560 126.458 122.820 0.129 0.000 2.549 204 A HA 0.986 5.306 4.320 0.000 0.000 0.297 204 A C -0.630 177.051 177.584 0.161 0.000 1.061 204 A CA -0.223 51.858 52.037 0.073 0.000 0.690 204 A CB 1.929 20.941 19.000 0.019 0.000 1.287 204 A HN 1.528 nan 8.150 nan 0.000 0.402 205 A N 0.954 123.797 122.820 0.038 0.000 2.304 205 A HA 0.737 5.057 4.320 0.000 0.000 0.323 205 A C -1.469 176.263 177.584 0.246 0.000 1.195 205 A CA -0.280 51.887 52.037 0.216 0.000 0.826 205 A CB 0.281 19.382 19.000 0.168 0.000 1.184 205 A HN 0.763 nan 8.150 nan 0.000 0.496 206 Y N 1.313 121.864 120.300 0.417 0.000 2.335 206 Y HA 0.448 4.998 4.550 0.000 0.000 0.338 206 Y C 1.331 177.423 175.900 0.321 0.000 0.977 206 Y CA -0.586 57.730 58.100 0.361 0.000 1.114 206 Y CB 2.061 40.663 38.460 0.236 0.000 1.182 206 Y HN 0.818 nan 8.280 nan 0.000 0.463 207 R N 0.509 121.204 120.500 0.324 0.000 2.156 207 R HA 0.094 4.434 4.340 0.000 0.000 0.207 207 R C -0.350 175.967 176.300 0.027 0.000 1.040 207 R CA 0.710 56.874 56.100 0.107 0.000 1.013 207 R CB 0.607 30.846 30.300 -0.101 0.000 0.931 207 R HN 0.627 nan 8.270 nan 0.000 0.465 208 D N -0.570 119.863 120.400 0.055 0.000 2.769 208 D HA 0.216 4.856 4.640 0.000 0.000 0.219 208 D C -1.499 174.769 176.300 -0.053 0.000 1.245 208 D CA -0.410 53.560 54.000 -0.049 0.000 0.801 208 D CB 2.036 42.801 40.800 -0.059 0.000 1.598 208 D HN -0.202 nan 8.370 nan 0.000 0.485 209 I N 2.378 122.849 120.570 -0.164 0.000 2.533 209 I HA 0.361 4.531 4.170 0.000 0.000 0.290 209 I C -0.466 175.650 176.117 -0.001 0.000 1.056 209 I CA -0.504 60.663 61.300 -0.221 0.000 1.057 209 I CB 1.906 39.382 38.000 -0.875 0.000 1.240 209 I HN 0.296 nan 8.210 nan 0.000 0.423 210 K N 5.938 126.409 120.400 0.119 0.000 2.601 210 K HA 0.425 4.745 4.320 0.000 0.000 0.249 210 K C -1.522 175.258 176.600 0.300 0.000 0.966 210 K CA -0.532 55.871 56.287 0.193 0.000 0.827 210 K CB 2.867 35.429 32.500 0.103 0.000 1.178 210 K HN 0.375 nan 8.250 nan 0.000 0.437 211 F N 2.945 123.025 119.950 0.216 0.000 2.427 211 F HA 0.326 4.853 4.527 0.000 0.000 0.348 211 F C -0.580 175.348 175.800 0.212 0.000 1.125 211 F CA -0.492 57.634 58.000 0.210 0.000 0.989 211 F CB 1.272 40.368 39.000 0.160 0.000 1.165 211 F HN 0.480 nan 8.300 nan 0.000 0.442 212 E N 7.099 127.061 120.200 -0.395 0.000 2.187 212 E HA 0.451 4.801 4.350 0.000 0.000 0.268 212 E C -1.309 175.073 176.600 -0.363 0.000 0.896 212 E CA -0.718 55.525 56.400 -0.261 0.000 0.766 212 E CB 1.352 30.994 29.700 -0.098 0.000 1.142 212 E HN 0.717 nan 8.360 nan 0.000 0.408 213 I N 4.664 125.145 120.570 -0.148 0.000 2.315 213 I HA 0.129 4.299 4.170 0.000 0.000 0.291 213 I C 0.553 176.714 176.117 0.074 0.000 1.006 213 I CA -0.752 60.553 61.300 0.008 0.000 1.265 213 I CB 1.182 39.277 38.000 0.159 0.000 1.387 213 I HN 0.448 nan 8.210 nan 0.000 0.475 214 Q N 3.782 123.667 119.800 0.141 0.000 2.396 214 Q HA 0.260 4.601 4.340 0.000 0.000 0.221 214 Q C 1.067 177.135 176.000 0.113 0.000 1.025 214 Q CA 0.301 56.180 55.803 0.128 0.000 0.946 214 Q CB 0.856 29.699 28.738 0.175 0.000 1.224 214 Q HN 0.980 nan 8.270 nan 0.000 0.539 215 G N 1.212 109.985 108.800 -0.045 0.000 2.136 215 G HA2 -0.193 3.767 3.960 0.000 0.000 0.242 215 G HA3 -0.193 3.767 3.960 0.000 0.000 0.242 215 G C -0.493 174.203 174.900 -0.340 0.000 0.989 215 G CA 0.056 44.921 45.100 -0.392 0.000 0.682 215 G HN 0.545 nan 8.290 nan 0.000 0.522 216 D N -0.026 120.282 120.400 -0.153 0.000 2.488 216 D HA 0.342 4.982 4.640 0.000 0.000 0.238 216 D C 0.956 177.135 176.300 -0.202 0.000 1.138 216 D CA 0.121 54.047 54.000 -0.125 0.000 0.873 216 D CB 1.387 42.158 40.800 -0.049 0.000 1.183 216 D HN 0.155 nan 8.370 nan 0.000 0.458 217 V N 4.048 123.848 119.914 -0.188 0.000 2.488 217 V HA 0.086 4.206 4.120 0.000 0.000 0.277 217 V C 1.447 177.360 176.094 -0.301 0.000 1.046 217 V CA -0.061 62.109 62.300 -0.217 0.000 0.986 217 V CB 1.318 33.056 31.823 -0.142 0.000 0.989 217 V HN 0.540 nan 8.190 nan 0.000 0.475 218 I N 3.611 123.912 120.570 -0.449 0.000 3.339 218 I HA 0.311 4.481 4.170 0.000 0.000 0.285 218 I C -0.258 175.343 176.117 -0.860 0.000 1.201 218 I CA 0.622 61.431 61.300 -0.817 0.000 1.434 218 I CB 0.552 37.800 38.000 -1.253 0.000 1.152 218 I HN 0.442 nan 8.210 nan 0.000 0.443 219 F N 1.069 120.867 119.950 -0.253 0.000 2.556 219 F HA 0.529 5.056 4.527 0.000 0.000 0.314 219 F C -0.214 175.503 175.800 -0.139 0.000 1.106 219 F CA -0.726 57.161 58.000 -0.187 0.000 0.911 219 F CB 1.375 40.267 39.000 -0.181 0.000 1.190 219 F HN -0.294 nan 8.300 nan 0.000 0.448 220 R N 0.688 121.239 120.500 0.085 0.000 2.474 220 R HA 0.620 4.960 4.340 0.000 0.000 0.295 220 R C 0.303 176.607 176.300 0.007 0.000 0.980 220 R CA -0.957 55.156 56.100 0.021 0.000 0.934 220 R CB 1.548 31.849 30.300 0.000 0.000 1.101 220 R HN 0.866 nan 8.270 nan 0.000 0.469 221 G N 2.040 110.835 108.800 -0.008 0.000 2.614 221 G HA2 0.050 4.010 3.960 0.000 0.000 0.239 221 G HA3 0.050 4.010 3.960 0.000 0.000 0.239 221 G C -1.249 173.636 174.900 -0.024 0.000 1.240 221 G CA -0.895 44.190 45.100 -0.025 0.000 0.842 221 G HN 0.487 nan 8.290 nan 0.000 0.584 222 P HA 0.059 nan 4.420 nan 0.000 0.252 222 P C -0.405 176.853 177.300 -0.070 0.000 1.265 222 P CA -0.049 63.021 63.100 -0.051 0.000 0.775 222 P CB 0.219 31.890 31.700 -0.048 0.000 1.128 223 D N 1.258 121.617 120.400 -0.069 0.000 2.382 223 D HA 0.236 4.876 4.640 0.000 0.000 0.240 223 D C 0.938 177.166 176.300 -0.120 0.000 1.146 223 D CA 0.488 54.425 54.000 -0.105 0.000 0.897 223 D CB 1.077 41.809 40.800 -0.114 0.000 1.197 223 D HN 0.111 nan 8.370 nan 0.000 0.432 224 R N 0.221 120.626 120.500 -0.158 0.000 2.829 224 R HA 0.356 4.696 4.340 0.000 0.000 0.267 224 R C -0.828 175.372 176.300 -0.168 0.000 1.051 224 R CA -0.939 55.059 56.100 -0.169 0.000 0.927 224 R CB 1.188 31.358 30.300 -0.215 0.000 1.292 224 R HN 0.261 nan 8.270 nan 0.000 0.445 225 I N 0.238 120.711 120.570 -0.161 0.000 7.141 225 I HA -0.130 4.040 4.170 0.000 0.000 0.126 225 I C -2.409 173.716 176.117 0.013 0.000 1.833 225 I CA -0.191 61.089 61.300 -0.033 0.000 2.047 225 I CB -2.196 35.790 38.000 -0.024 0.000 3.597 225 I HN 0.496 nan 8.210 nan 0.000 0.172 226 P HA 0.494 nan 4.420 nan 0.000 0.281 226 P C -0.161 177.223 177.300 0.141 0.000 1.249 226 P CA 0.019 63.169 63.100 0.083 0.000 0.810 226 P CB 2.169 33.932 31.700 0.104 0.000 1.008 227 S N 2.000 117.820 115.700 0.199 0.000 2.570 227 S HA 0.807 5.277 4.470 0.000 0.000 0.270 227 S C -1.027 173.779 174.600 0.342 0.000 1.149 227 S CA -0.759 57.590 58.200 0.248 0.000 0.837 227 S CB 1.567 64.884 63.200 0.195 0.000 1.124 227 S HN 0.558 nan 8.310 nan 0.000 0.465 228 I N 1.173 121.936 120.570 0.321 0.000 2.842 228 I HA 0.720 4.890 4.170 0.000 0.000 0.297 228 I C -1.779 174.338 176.117 0.001 0.000 1.380 228 I CA -0.840 60.607 61.300 0.245 0.000 1.018 228 I CB 1.990 40.111 38.000 0.201 0.000 1.311 228 I HN 1.013 nan 8.210 nan 0.000 0.439 229 V N 2.943 122.753 119.914 -0.174 0.000 3.114 229 V HA 1.045 5.165 4.120 0.000 0.000 0.308 229 V C -1.040 174.733 176.094 -0.534 0.000 1.168 229 V CA -0.298 61.489 62.300 -0.855 0.000 1.015 229 V CB 1.417 32.886 31.823 -0.591 0.000 1.050 229 V HN 1.015 nan 8.190 nan 0.000 0.433 230 A N 1.159 123.560 122.820 -0.699 0.000 2.469 230 A HA 0.911 5.231 4.320 0.000 0.000 0.299 230 A C -0.302 176.935 177.584 -0.577 0.000 1.098 230 A CA -0.185 51.648 52.037 -0.342 0.000 0.737 230 A CB 1.860 20.801 19.000 -0.098 0.000 1.312 230 A HN 1.725 nan 8.150 nan 0.000 0.414 231 S N -0.160 115.198 115.700 -0.569 0.000 2.525 231 S HA 0.416 4.887 4.470 0.000 0.000 0.278 231 S C 1.220 175.542 174.600 -0.464 0.000 1.234 231 S CA 0.136 57.800 58.200 -0.893 0.000 1.058 231 S CB 0.731 63.698 63.200 -0.389 0.000 0.983 231 S HN 1.460 nan 8.310 nan 0.000 0.495 232 S N 3.820 119.300 115.700 -0.367 0.000 2.470 232 S HA 0.017 4.487 4.470 0.000 0.000 0.222 232 S C 1.560 176.166 174.600 0.010 0.000 1.024 232 S CA 0.435 58.597 58.200 -0.063 0.000 0.931 232 S CB -0.347 62.897 63.200 0.073 0.000 0.791 232 S HN 0.521 nan 8.310 nan 0.000 0.513 233 V N 1.978 121.948 119.914 0.093 0.000 2.453 233 V HA 0.042 4.162 4.120 0.000 0.000 0.247 233 V C 0.858 176.964 176.094 0.020 0.000 1.048 233 V CA 1.506 63.855 62.300 0.081 0.000 1.049 233 V CB -0.678 31.228 31.823 0.138 0.000 0.672 233 V HN 0.575 nan 8.190 nan 0.000 0.457 234 T N 1.399 115.948 114.554 -0.008 0.000 3.331 234 T HA 0.328 4.678 4.350 0.000 0.000 0.381 234 T C -2.619 172.038 174.700 -0.071 0.000 1.656 234 T CA -1.080 60.999 62.100 -0.035 0.000 1.453 234 T CB 1.101 69.952 68.868 -0.029 0.000 1.066 234 T HN 0.145 nan 8.240 nan 0.000 0.655 235 P HA 0.190 nan 4.420 nan 0.000 0.261 235 P C 1.185 178.431 177.300 -0.090 0.000 1.173 235 P CA 1.286 64.338 63.100 -0.079 0.000 0.760 235 P CB 0.321 31.983 31.700 -0.062 0.000 0.783 236 G N 1.174 109.912 108.800 -0.105 0.000 2.232 236 G HA2 -0.208 3.753 3.960 0.000 0.000 0.226 236 G HA3 -0.208 3.753 3.960 0.000 0.000 0.226 236 G C 0.005 174.811 174.900 -0.157 0.000 0.996 236 G CA -0.209 44.815 45.100 -0.127 0.000 0.626 236 G HN 0.536 nan 8.290 nan 0.000 0.509 237 V N 1.829 121.663 119.914 -0.133 0.000 2.432 237 V HA 0.577 4.697 4.120 0.000 0.000 0.271 237 V C 0.386 176.399 176.094 -0.137 0.000 1.046 237 V CA -0.320 61.907 62.300 -0.121 0.000 0.945 237 V CB 1.444 33.235 31.823 -0.053 0.000 0.992 237 V HN 0.373 nan 8.190 nan 0.000 0.471 238 V N 4.216 124.036 119.914 -0.156 0.000 2.588 238 V HA 0.614 4.734 4.120 0.000 0.000 0.304 238 V C 0.033 176.128 176.094 0.002 0.000 1.042 238 V CA -0.577 61.667 62.300 -0.094 0.000 0.877 238 V CB 2.438 34.204 31.823 -0.095 0.000 0.996 238 V HN 0.944 nan 8.190 nan 0.000 0.425 239 T N 1.339 115.913 114.554 0.035 0.000 2.786 239 T HA 0.870 5.220 4.350 0.000 0.000 0.283 239 T C -0.351 174.331 174.700 -0.030 0.000 0.992 239 T CA -0.413 61.672 62.100 -0.025 0.000 0.954 239 T CB 1.657 70.489 68.868 -0.060 0.000 0.934 239 T HN 1.058 nan 8.240 nan 0.000 0.440 240 A N 3.110 125.833 122.820 -0.161 0.000 2.337 240 A HA 0.948 5.268 4.320 0.000 0.000 0.331 240 A C -1.113 176.214 177.584 -0.427 0.000 1.137 240 A CA -0.895 51.079 52.037 -0.105 0.000 0.807 240 A CB 0.814 19.739 19.000 -0.125 0.000 1.250 240 A HN 0.763 nan 8.150 nan 0.000 0.468 241 F N -0.576 119.475 119.950 0.168 0.000 2.629 241 F HA 0.842 5.369 4.527 0.000 0.000 0.316 241 F C 0.403 175.994 175.800 -0.349 0.000 1.081 241 F CA 0.110 58.071 58.000 -0.065 0.000 0.954 241 F CB 2.308 41.283 39.000 -0.042 0.000 1.337 241 F HN 0.960 nan 8.300 nan 0.000 0.474 242 A N 0.152 122.725 122.820 -0.411 0.000 2.511 242 A HA 0.654 4.974 4.320 0.000 0.000 0.293 242 A C -1.910 175.451 177.584 -0.373 0.000 1.098 242 A CA -0.942 50.788 52.037 -0.512 0.000 0.643 242 A CB 1.226 19.593 19.000 -1.055 0.000 1.302 242 A HN 0.690 nan 8.150 nan 0.000 0.446 243 E N 0.722 120.756 120.200 -0.275 0.000 2.134 243 E HA 0.386 4.736 4.350 0.000 0.000 0.278 243 E C -0.869 175.614 176.600 -0.195 0.000 0.959 243 E CA -0.787 55.504 56.400 -0.183 0.000 0.783 243 E CB 1.511 31.150 29.700 -0.102 0.000 1.095 243 E HN 0.413 nan 8.360 nan 0.000 0.399 244 K N 3.589 123.886 120.400 -0.172 0.000 2.310 244 K HA 0.087 4.407 4.320 0.000 0.000 0.290 244 K C -0.617 175.933 176.600 -0.084 0.000 1.077 244 K CA 0.010 56.218 56.287 -0.132 0.000 0.922 244 K CB 0.339 32.767 32.500 -0.120 0.000 1.057 244 K HN 0.333 nan 8.250 nan 0.000 0.479 245 R N 3.957 124.410 120.500 -0.078 0.000 2.471 245 R HA 0.246 4.586 4.340 0.000 0.000 0.292 245 R C -0.774 175.498 176.300 -0.047 0.000 1.192 245 R CA -0.758 55.307 56.100 -0.060 0.000 1.257 245 R CB 0.923 31.180 30.300 -0.072 0.000 1.130 245 R HN 0.293 nan 8.270 nan 0.000 0.558 246 V N 2.568 122.461 119.914 -0.036 0.000 2.403 246 V HA 0.189 4.309 4.120 0.000 0.000 0.265 246 V C 1.359 177.436 176.094 -0.029 0.000 1.034 246 V CA 1.117 63.399 62.300 -0.030 0.000 1.036 246 V CB 0.636 32.445 31.823 -0.024 0.000 1.032 246 V HN 1.120 nan 8.190 nan 0.000 0.478 247 G N 3.563 112.344 108.800 -0.031 0.000 2.218 247 G HA2 0.106 4.066 3.960 0.000 0.000 0.216 247 G HA3 0.106 4.066 3.960 0.000 0.000 0.216 247 G C 0.784 175.663 174.900 -0.036 0.000 0.994 247 G CA -0.115 44.966 45.100 -0.030 0.000 0.637 247 G HN 2.146 nan 8.290 nan 0.000 0.505 248 G N -0.743 108.031 108.800 -0.043 0.000 2.846 248 G HA2 0.478 4.438 3.960 0.000 0.000 0.660 248 G HA3 0.478 4.438 3.960 0.000 0.000 0.660 248 G C 1.290 176.154 174.900 -0.060 0.000 1.464 248 G CA 1.076 46.145 45.100 -0.052 0.000 0.891 248 G HN 2.735 nan 8.290 nan 0.000 0.552 249 G N -0.219 108.537 108.800 -0.073 0.000 2.707 249 G HA2 0.348 4.308 3.960 0.000 0.000 0.686 249 G HA3 0.348 4.308 3.960 0.000 0.000 0.686 249 G C -0.359 174.482 174.900 -0.099 0.000 1.315 249 G CA 0.459 45.509 45.100 -0.082 0.000 0.832 249 G HN 1.447 nan 8.290 nan 0.000 0.573 250 D N 1.865 122.197 120.400 -0.113 0.000 2.368 250 D HA 0.433 5.073 4.640 0.000 0.000 0.240 250 D C -1.238 174.961 176.300 -0.167 0.000 1.169 250 D CA -0.171 53.744 54.000 -0.143 0.000 0.906 250 D CB 0.465 41.174 40.800 -0.152 0.000 1.187 250 D HN 0.400 nan 8.370 nan 0.000 0.435 251 P HA 0.100 nan 4.420 nan 0.000 0.270 251 P C 0.672 177.775 177.300 -0.328 0.000 1.223 251 P CA 0.071 63.006 63.100 -0.275 0.000 0.785 251 P CB 0.757 32.201 31.700 -0.427 0.000 0.923 252 G N -0.082 108.585 108.800 -0.222 0.000 2.195 252 G HA2 -0.079 3.881 3.960 0.000 0.000 0.224 252 G HA3 -0.079 3.881 3.960 0.000 0.000 0.224 252 G C 0.241 175.079 174.900 -0.103 0.000 0.990 252 G CA 0.065 45.060 45.100 -0.174 0.000 0.639 252 G HN 0.869 nan 8.290 nan 0.000 0.514 253 A N 0.084 122.849 122.820 -0.091 0.000 2.309 253 A HA 0.804 5.124 4.320 0.000 0.000 0.298 253 A C 1.404 178.961 177.584 -0.045 0.000 1.165 253 A CA -0.031 51.968 52.037 -0.064 0.000 0.821 253 A CB 0.665 19.627 19.000 -0.064 0.000 1.102 253 A HN 0.616 nan 8.150 nan 0.000 0.500 254 L N 2.091 123.292 121.223 -0.036 0.000 2.191 254 L HA -0.154 4.186 4.340 0.000 0.000 0.212 254 L C 2.503 179.356 176.870 -0.029 0.000 1.103 254 L CA 1.740 56.563 54.840 -0.029 0.000 0.769 254 L CB -0.107 41.938 42.059 -0.024 0.000 0.908 254 L HN 0.920 nan 8.230 nan 0.000 0.438 255 S N -0.526 115.156 115.700 -0.030 0.000 2.607 255 S HA 0.005 4.475 4.470 0.000 0.000 0.224 255 S C 0.471 175.054 174.600 -0.030 0.000 0.969 255 S CA -0.084 58.099 58.200 -0.028 0.000 0.927 255 S CB -0.673 62.510 63.200 -0.028 0.000 0.772 255 S HN 0.586 nan 8.310 nan 0.000 0.533 256 N N -0.339 118.342 118.700 -0.032 0.000 2.357 256 N HA 0.475 5.215 4.740 0.000 0.000 0.284 256 N C -1.739 173.760 175.510 -0.019 0.000 1.236 256 N CA -0.675 52.358 53.050 -0.029 0.000 0.774 256 N CB 1.202 39.666 38.487 -0.038 0.000 1.534 256 N HN -0.106 nan 8.380 nan 0.000 0.478 257 T N 0.965 115.513 114.554 -0.010 0.000 2.930 257 T HA 0.454 4.804 4.350 0.000 0.000 0.313 257 T C -1.175 173.538 174.700 0.023 0.000 1.019 257 T CA -0.668 61.439 62.100 0.012 0.000 1.004 257 T CB -0.025 68.847 68.868 0.008 0.000 0.987 257 T HN 0.465 nan 8.240 nan 0.000 0.456 258 N N 2.813 121.543 118.700 0.049 0.000 2.443 258 N HA 0.591 5.331 4.740 0.000 0.000 0.295 258 N C -0.691 174.895 175.510 0.128 0.000 1.076 258 N CA -0.582 52.500 53.050 0.052 0.000 0.919 258 N CB 1.383 39.891 38.487 0.035 0.000 1.176 258 N HN 0.518 nan 8.380 nan 0.000 0.487 259 D N 0.081 120.508 120.400 0.044 0.000 2.592 259 D HA 0.436 5.076 4.640 0.000 0.000 0.263 259 D C -0.265 175.956 176.300 -0.133 0.000 1.132 259 D CA -0.366 53.627 54.000 -0.010 0.000 0.996 259 D CB 2.087 42.829 40.800 -0.097 0.000 1.442 259 D HN 0.141 nan 8.370 nan 0.000 0.486 260 I N 2.030 122.418 120.570 -0.303 0.000 2.359 260 I HA 0.374 4.544 4.170 0.000 0.000 0.294 260 I C 0.458 176.376 176.117 -0.332 0.000 0.987 260 I CA -0.480 60.611 61.300 -0.347 0.000 1.225 260 I CB 0.717 38.361 38.000 -0.594 0.000 1.366 260 I HN 0.306 nan 8.210 nan 0.000 0.466 261 I N 2.382 122.780 120.570 -0.286 0.000 2.846 261 I HA 0.824 4.994 4.170 0.000 0.000 0.307 261 I C -0.224 175.752 176.117 -0.235 0.000 1.053 261 I CA -0.540 60.603 61.300 -0.262 0.000 1.050 261 I CB 2.467 40.327 38.000 -0.233 0.000 1.239 261 I HN 0.491 nan 8.210 nan 0.000 0.439 262 T N 2.275 116.732 114.554 -0.161 0.000 2.853 262 T HA 0.600 4.950 4.350 0.000 0.000 0.311 262 T C -1.287 173.400 174.700 -0.022 0.000 1.307 262 T CA -0.713 61.270 62.100 -0.196 0.000 1.019 262 T CB 1.853 70.429 68.868 -0.487 0.000 1.264 262 T HN 0.834 nan 8.240 nan 0.000 0.497 263 R N 1.335 121.811 120.500 -0.039 0.000 2.651 263 R HA 0.655 4.995 4.340 0.000 0.000 0.278 263 R C -1.275 175.112 176.300 0.145 0.000 1.010 263 R CA -0.873 55.240 56.100 0.021 0.000 0.896 263 R CB 2.464 32.672 30.300 -0.154 0.000 1.211 263 R HN 0.609 nan 8.270 nan 0.000 0.456 264 T N 0.399 115.066 114.554 0.190 0.000 2.863 264 T HA 0.403 4.753 4.350 0.000 0.000 0.285 264 T C -0.807 173.888 174.700 -0.008 0.000 1.009 264 T CA -0.543 61.618 62.100 0.102 0.000 0.989 264 T CB 1.878 70.719 68.868 -0.045 0.000 1.004 264 T HN 0.416 nan 8.240 nan 0.000 0.455 265 S N 0.879 116.372 115.700 -0.345 0.000 2.536 265 S HA 0.523 4.993 4.470 0.000 0.000 0.298 265 S C 0.266 174.636 174.600 -0.383 0.000 1.083 265 S CA -0.824 56.973 58.200 -0.672 0.000 0.995 265 S CB 0.992 63.265 63.200 -1.544 0.000 1.058 265 S HN 0.682 nan 8.310 nan 0.000 0.488 266 R N 1.154 121.472 120.500 -0.303 0.000 2.535 266 R HA 0.186 4.526 4.340 0.000 0.000 0.323 266 R C -0.644 175.536 176.300 -0.201 0.000 0.979 266 R CA 0.130 56.113 56.100 -0.195 0.000 1.120 266 R CB 0.320 30.549 30.300 -0.120 0.000 1.306 266 R HN 0.681 nan 8.270 nan 0.000 0.540 267 D N -0.687 119.553 120.400 -0.267 0.000 2.696 267 D HA 0.151 4.791 4.640 0.000 0.000 0.269 267 D C 0.887 177.047 176.300 -0.234 0.000 1.319 267 D CA -0.161 53.705 54.000 -0.223 0.000 0.826 267 D CB 0.620 41.293 40.800 -0.212 0.000 1.086 267 D HN 0.129 nan 8.370 nan 0.000 0.481 268 G N -0.414 108.238 108.800 -0.247 0.000 2.143 268 G HA2 -0.008 3.952 3.960 0.000 0.000 0.249 268 G HA3 -0.008 3.952 3.960 0.000 0.000 0.249 268 G C 1.084 175.841 174.900 -0.238 0.000 0.981 268 G CA 0.174 45.154 45.100 -0.199 0.000 0.665 268 G HN 1.445 nan 8.290 nan 0.000 0.528 269 G N -1.359 107.157 108.800 -0.472 0.000 2.131 269 G HA2 -0.196 3.764 3.960 0.000 0.000 0.223 269 G HA3 -0.196 3.764 3.960 0.000 0.000 0.223 269 G C 1.039 175.722 174.900 -0.360 0.000 0.990 269 G CA 0.663 45.426 45.100 -0.561 0.000 0.671 269 G HN 1.101 nan 8.290 nan 0.000 0.521 270 I N 0.605 120.934 120.570 -0.401 0.000 2.385 270 I HA 0.156 4.326 4.170 0.000 0.000 0.244 270 I C 1.700 177.660 176.117 -0.261 0.000 1.089 270 I CA 1.626 62.787 61.300 -0.232 0.000 1.410 270 I CB -0.114 37.763 38.000 -0.205 0.000 1.117 270 I HN 0.412 nan 8.210 nan 0.000 0.429 271 T N -2.125 112.178 114.554 -0.417 0.000 2.888 271 T HA 0.487 4.837 4.350 0.000 0.000 0.284 271 T C -1.330 173.047 174.700 -0.539 0.000 1.017 271 T CA -0.528 61.395 62.100 -0.295 0.000 1.022 271 T CB 1.586 70.340 68.868 -0.190 0.000 1.013 271 T HN 0.092 nan 8.240 nan 0.000 0.465 272 W N 1.162 122.388 121.300 -0.123 0.000 2.864 272 W HA 0.499 5.159 4.660 0.000 0.000 0.343 272 W C -0.221 176.235 176.519 -0.104 0.000 1.109 272 W CA -0.694 56.571 57.345 -0.132 0.000 1.192 272 W CB 1.292 30.636 29.460 -0.194 0.000 1.426 272 W HN 0.919 nan 8.180 nan 0.000 0.529 273 D N -0.623 119.863 120.400 0.143 0.000 2.447 273 D HA 0.284 4.924 4.640 0.000 0.000 0.265 273 D C -0.038 176.305 176.300 0.072 0.000 1.250 273 D CA -0.421 53.627 54.000 0.080 0.000 1.046 273 D CB -0.325 40.518 40.800 0.071 0.000 1.095 273 D HN 0.110 nan 8.370 nan 0.000 0.555 274 T N -0.045 114.538 114.554 0.049 0.000 2.902 274 T HA 0.024 4.374 4.350 0.000 0.000 0.301 274 T C 0.389 175.104 174.700 0.025 0.000 1.012 274 T CA -0.083 62.035 62.100 0.029 0.000 1.151 274 T CB 0.130 69.015 68.868 0.027 0.000 0.946 274 T HN 0.396 nan 8.240 nan 0.000 0.542 275 E N 1.790 121.995 120.200 0.009 0.000 2.480 275 E HA 0.100 4.450 4.350 0.000 0.000 0.258 275 E C -0.791 175.809 176.600 0.001 0.000 0.984 275 E CA -0.371 56.046 56.400 0.028 0.000 0.930 275 E CB 0.264 29.991 29.700 0.046 0.000 0.936 275 E HN 0.357 nan 8.360 nan 0.000 0.466 276 L N 5.770 126.975 121.223 -0.029 0.000 2.356 276 L HA 0.333 4.673 4.340 0.000 0.000 0.277 276 L C -0.875 175.892 176.870 -0.172 0.000 0.996 276 L CA -0.596 54.189 54.840 -0.092 0.000 0.822 276 L CB 1.627 43.622 42.059 -0.106 0.000 1.256 276 L HN 0.457 nan 8.230 nan 0.000 0.413 277 N N 5.102 123.703 118.700 -0.165 0.000 2.415 277 N HA 0.172 4.912 4.740 0.000 0.000 0.246 277 N C 0.576 175.916 175.510 -0.284 0.000 1.078 277 N CA 0.046 52.970 53.050 -0.210 0.000 0.942 277 N CB 0.806 39.201 38.487 -0.153 0.000 1.140 277 N HN 0.833 nan 8.380 nan 0.000 0.501 278 L N 2.102 123.084 121.223 -0.402 0.000 2.341 278 L HA -0.023 4.317 4.340 0.000 0.000 0.214 278 L C 1.809 178.384 176.870 -0.491 0.000 1.115 278 L CA 0.992 55.543 54.840 -0.481 0.000 0.820 278 L CB -0.083 41.593 42.059 -0.639 0.000 0.944 278 L HN 0.592 nan 8.230 nan 0.000 0.452 279 T N -4.520 109.686 114.554 -0.579 0.000 3.023 279 T HA 0.013 4.363 4.350 0.000 0.000 0.253 279 T C 1.404 175.818 174.700 -0.477 0.000 1.038 279 T CA 0.095 61.739 62.100 -0.759 0.000 0.962 279 T CB 0.077 68.060 68.868 -1.476 0.000 1.018 279 T HN 0.442 nan 8.240 nan 0.000 0.521 280 E N 2.482 122.517 120.200 -0.275 0.000 2.204 280 E HA -0.308 4.042 4.350 0.000 0.000 0.195 280 E C 2.114 178.659 176.600 -0.092 0.000 0.990 280 E CA 1.214 57.536 56.400 -0.131 0.000 0.821 280 E CB -0.546 29.098 29.700 -0.094 0.000 0.750 280 E HN 0.818 nan 8.360 nan 0.000 0.477 281 Q N 1.735 121.461 119.800 -0.122 0.000 2.436 281 Q HA -0.090 4.250 4.340 0.000 0.000 0.209 281 Q C 1.908 177.883 176.000 -0.042 0.000 0.965 281 Q CA 1.279 57.041 55.803 -0.068 0.000 0.910 281 Q CB -0.511 28.189 28.738 -0.064 0.000 0.980 281 Q HN 0.684 nan 8.270 nan 0.000 0.491 282 I N -3.613 116.908 120.570 -0.081 0.000 3.856 282 I HA 0.465 4.635 4.170 0.000 0.000 0.330 282 I C -0.007 176.228 176.117 0.196 0.000 1.546 282 I CA -0.545 60.756 61.300 0.002 0.000 1.132 282 I CB 0.397 38.318 38.000 -0.132 0.000 1.157 282 I HN -0.086 nan 8.210 nan 0.000 0.440 283 N N 1.054 119.856 118.700 0.171 0.000 2.598 283 N HA 0.095 4.835 4.740 0.000 0.000 0.295 283 N C 1.119 176.688 175.510 0.098 0.000 1.729 283 N CA 0.112 53.331 53.050 0.283 0.000 0.877 283 N CB 0.811 39.517 38.487 0.365 0.000 1.405 283 N HN 0.238 nan 8.380 nan 0.000 0.491 284 V N -2.106 117.848 119.914 0.065 0.000 2.688 284 V HA -0.014 4.107 4.120 0.000 0.000 0.256 284 V C 0.990 177.079 176.094 -0.009 0.000 1.084 284 V CA 1.885 64.197 62.300 0.020 0.000 1.103 284 V CB -0.397 31.439 31.823 0.022 0.000 0.688 284 V HN 0.273 nan 8.190 nan 0.000 0.480 285 S N -0.601 115.076 115.700 -0.038 0.000 2.650 285 S HA 0.222 4.692 4.470 0.000 0.000 0.240 285 S C 0.185 174.730 174.600 -0.091 0.000 1.007 285 S CA 0.239 58.397 58.200 -0.070 0.000 0.984 285 S CB -0.106 63.035 63.200 -0.098 0.000 0.910 285 S HN 0.686 nan 8.310 nan 0.000 0.509 286 D N 1.935 122.295 120.400 -0.067 0.000 2.837 286 D HA -0.155 4.485 4.640 0.000 0.000 0.230 286 D C 0.519 176.736 176.300 -0.138 0.000 1.152 286 D CA 0.709 54.676 54.000 -0.055 0.000 0.736 286 D CB -1.211 39.566 40.800 -0.038 0.000 1.084 286 D HN 0.578 nan 8.370 nan 0.000 0.429 287 E N -1.182 118.827 120.200 -0.319 0.000 2.478 287 E HA 0.050 4.400 4.350 0.000 0.000 0.194 287 E C 0.431 176.669 176.600 -0.603 0.000 1.045 287 E CA 0.498 56.577 56.400 -0.535 0.000 0.868 287 E CB 0.313 29.530 29.700 -0.805 0.000 0.885 287 E HN 0.263 nan 8.360 nan 0.000 0.505 288 F N 0.129 120.062 119.950 -0.029 0.000 2.640 288 F HA 0.420 4.947 4.527 0.000 0.000 0.324 288 F C -0.061 175.680 175.800 -0.100 0.000 1.077 288 F CA -1.353 56.570 58.000 -0.127 0.000 0.965 288 F CB 1.260 40.057 39.000 -0.338 0.000 1.351 288 F HN -0.328 nan 8.300 nan 0.000 0.487 289 D N 0.403 120.845 120.400 0.069 0.000 2.646 289 D HA 0.476 5.116 4.640 0.000 0.000 0.245 289 D C -1.335 174.939 176.300 -0.044 0.000 1.099 289 D CA -0.118 53.934 54.000 0.087 0.000 0.849 289 D CB 2.134 42.991 40.800 0.095 0.000 1.448 289 D HN 0.128 nan 8.370 nan 0.000 0.489 290 F N 0.702 120.741 119.950 0.149 0.000 2.522 290 F HA 0.531 5.058 4.527 0.000 0.000 0.324 290 F C 0.838 176.728 175.800 0.149 0.000 1.077 290 F CA -0.412 57.656 58.000 0.113 0.000 0.944 290 F CB 1.977 40.933 39.000 -0.074 0.000 1.175 290 F HN 0.234 nan 8.300 nan 0.000 0.468 291 S N -0.644 115.284 115.700 0.380 0.000 2.656 291 S HA 0.530 5.000 4.470 0.000 0.000 0.273 291 S C -1.632 173.111 174.600 0.239 0.000 1.168 291 S CA -1.150 57.220 58.200 0.284 0.000 0.817 291 S CB 1.512 64.925 63.200 0.356 0.000 1.146 291 S HN 0.652 nan 8.310 nan 0.000 0.475 292 D N 0.766 121.260 120.400 0.157 0.000 3.038 292 D HA -0.048 4.592 4.640 0.000 0.000 0.229 292 D C -2.831 173.505 176.300 0.060 0.000 1.182 292 D CA 0.658 54.725 54.000 0.112 0.000 0.852 292 D CB -1.105 39.780 40.800 0.141 0.000 0.932 292 D HN 0.439 nan 8.370 nan 0.000 0.406 293 P HA 0.153 nan 4.420 nan 0.000 0.275 293 P C -0.367 176.847 177.300 -0.143 0.000 1.276 293 P CA -0.243 62.819 63.100 -0.063 0.000 0.782 293 P CB 0.745 32.404 31.700 -0.068 0.000 0.851 294 R N 6.384 126.752 120.500 -0.221 0.000 2.396 294 R HA 0.370 4.710 4.340 0.000 0.000 0.292 294 R C -2.569 173.564 176.300 -0.279 0.000 1.240 294 R CA -2.498 53.446 56.100 -0.261 0.000 1.270 294 R CB 0.369 30.394 30.300 -0.459 0.000 1.108 294 R HN 0.288 nan 8.270 nan 0.000 0.573 295 P HA 0.268 nan 4.420 nan 0.000 0.282 295 P C -0.718 176.625 177.300 0.072 0.000 1.249 295 P CA -0.284 62.718 63.100 -0.162 0.000 0.806 295 P CB 1.682 33.214 31.700 -0.280 0.000 0.984 296 I N 2.482 123.127 120.570 0.125 0.000 2.499 296 I HA 0.242 4.412 4.170 0.000 0.000 0.288 296 I C -0.719 175.518 176.117 0.201 0.000 1.048 296 I CA -1.059 60.365 61.300 0.206 0.000 1.062 296 I CB 2.142 40.283 38.000 0.234 0.000 1.238 296 I HN 0.329 nan 8.210 nan 0.000 0.426 297 Y N 6.121 126.487 120.300 0.110 0.000 2.341 297 Y HA 0.353 4.903 4.550 0.000 0.000 0.340 297 Y C -0.488 175.472 175.900 0.101 0.000 0.997 297 Y CA -0.495 57.655 58.100 0.084 0.000 1.149 297 Y CB 0.872 39.357 38.460 0.043 0.000 1.171 297 Y HN 0.433 nan 8.280 nan 0.000 0.494 298 D N 8.655 128.627 120.400 -0.714 0.000 2.427 298 D HA 0.300 4.941 4.640 0.000 0.000 0.226 298 D C -2.188 173.604 176.300 -0.847 0.000 1.076 298 D CA -2.520 51.145 54.000 -0.559 0.000 0.849 298 D CB 2.127 42.767 40.800 -0.267 0.000 1.052 298 D HN 0.353 nan 8.370 nan 0.000 0.515 299 P HA -0.123 nan 4.420 nan 0.000 0.218 299 P C 1.403 178.617 177.300 -0.145 0.000 1.149 299 P CA 0.934 63.870 63.100 -0.274 0.000 0.817 299 P CB 0.196 31.894 31.700 -0.004 0.000 0.785 300 S N -0.732 114.883 115.700 -0.142 0.000 2.419 300 S HA -0.115 4.355 4.470 0.000 0.000 0.233 300 S C 1.787 176.334 174.600 -0.087 0.000 1.016 300 S CA 1.656 59.802 58.200 -0.090 0.000 0.974 300 S CB -1.283 61.867 63.200 -0.082 0.000 0.786 300 S HN 0.270 nan 8.310 nan 0.000 0.492 301 S N 0.175 115.802 115.700 -0.122 0.000 2.603 301 S HA 0.273 4.743 4.470 0.000 0.000 0.232 301 S C 0.446 174.994 174.600 -0.087 0.000 1.016 301 S CA 0.120 58.264 58.200 -0.093 0.000 0.976 301 S CB -0.511 62.636 63.200 -0.089 0.000 0.921 301 S HN 0.470 nan 8.310 nan 0.000 0.516 302 N N 2.221 120.850 118.700 -0.118 0.000 2.714 302 N HA -0.152 4.588 4.740 0.000 0.000 0.253 302 N C -0.397 175.129 175.510 0.026 0.000 1.024 302 N CA 1.245 54.302 53.050 0.011 0.000 0.726 302 N CB -1.642 36.888 38.487 0.071 0.000 0.908 302 N HN 0.887 nan 8.380 nan 0.000 0.542 303 T N -3.749 110.761 114.554 -0.073 0.000 2.901 303 T HA 0.743 5.093 4.350 0.000 0.000 0.293 303 T C -0.305 174.443 174.700 0.080 0.000 1.084 303 T CA -0.777 61.321 62.100 -0.003 0.000 1.008 303 T CB 2.150 70.995 68.868 -0.038 0.000 1.170 303 T HN -0.027 nan 8.240 nan 0.000 0.509 304 V N 2.473 122.491 119.914 0.173 0.000 2.448 304 V HA 0.543 4.663 4.120 0.000 0.000 0.295 304 V C -0.802 175.426 176.094 0.224 0.000 1.025 304 V CA -0.935 61.511 62.300 0.244 0.000 0.859 304 V CB 1.500 33.525 31.823 0.336 0.000 0.988 304 V HN 0.849 nan 8.190 nan 0.000 0.431 305 L N 6.972 128.315 121.223 0.199 0.000 2.294 305 L HA 0.616 4.956 4.340 0.000 0.000 0.283 305 L C -0.701 176.275 176.870 0.176 0.000 1.015 305 L CA -0.174 54.794 54.840 0.212 0.000 0.831 305 L CB 1.478 43.616 42.059 0.131 0.000 1.217 305 L HN 0.496 nan 8.230 nan 0.000 0.420 306 V N 5.645 125.702 119.914 0.238 0.000 2.370 306 V HA 0.553 4.673 4.120 0.000 0.000 0.283 306 V C 0.121 176.245 176.094 0.050 0.000 1.023 306 V CA -0.067 62.248 62.300 0.025 0.000 0.857 306 V CB 1.880 33.583 31.823 -0.199 0.000 0.985 306 V HN 0.976 nan 8.190 nan 0.000 0.443 307 S N 6.774 122.365 115.700 -0.182 0.000 2.565 307 S HA 0.844 5.314 4.470 0.000 0.000 0.290 307 S C -1.190 173.274 174.600 -0.228 0.000 1.150 307 S CA -0.327 57.660 58.200 -0.355 0.000 1.058 307 S CB 1.322 64.162 63.200 -0.600 0.000 1.032 307 S HN 0.831 nan 8.310 nan 0.000 0.510 308 Y N -1.304 118.934 120.300 -0.104 0.000 2.609 308 Y HA 0.798 5.349 4.550 0.000 0.000 0.336 308 Y C -0.561 175.343 175.900 0.007 0.000 1.129 308 Y CA -1.677 56.393 58.100 -0.049 0.000 1.040 308 Y CB 0.481 38.933 38.460 -0.013 0.000 1.310 308 Y HN 0.656 nan 8.280 nan 0.000 0.460 309 A N 2.388 125.294 122.820 0.143 0.000 2.293 309 A HA 0.793 5.113 4.320 0.000 0.000 0.302 309 A C -0.515 176.925 177.584 -0.241 0.000 1.119 309 A CA -0.879 51.066 52.037 -0.153 0.000 0.823 309 A CB 1.054 19.843 19.000 -0.352 0.000 1.097 309 A HN 0.854 nan 8.150 nan 0.000 0.491 310 R N 0.524 120.671 120.500 -0.589 0.000 2.664 310 R HA 0.616 4.956 4.340 0.000 0.000 0.286 310 R C -1.976 173.749 176.300 -0.959 0.000 0.967 310 R CA -0.458 55.116 56.100 -0.877 0.000 0.933 310 R CB 1.128 30.969 30.300 -0.765 0.000 1.146 310 R HN 0.763 nan 8.270 nan 0.000 0.468 311 W N 3.407 124.459 121.300 -0.412 0.000 3.167 311 W HA 0.395 5.055 4.660 0.000 0.000 0.324 311 W C -2.319 174.173 176.519 -0.045 0.000 1.230 311 W CA -2.005 55.231 57.345 -0.183 0.000 1.184 311 W CB 1.164 30.546 29.460 -0.131 0.000 1.414 311 W HN 0.430 nan 8.180 nan 0.000 0.551 312 P HA -0.017 nan 4.420 nan 0.000 0.272 312 P C 0.704 178.100 177.300 0.160 0.000 1.223 312 P CA 0.327 63.579 63.100 0.254 0.000 0.784 312 P CB 1.424 33.216 31.700 0.154 0.000 0.923 313 T N 0.229 114.830 114.554 0.077 0.000 2.977 313 T HA -0.124 4.226 4.350 0.000 0.000 0.271 313 T C 0.869 175.569 174.700 0.001 0.000 1.105 313 T CA 1.759 63.877 62.100 0.029 0.000 1.116 313 T CB -0.746 68.112 68.868 -0.017 0.000 0.878 313 T HN 0.550 nan 8.240 nan 0.000 0.509 314 D N -0.200 120.203 120.400 0.006 0.000 2.440 314 D HA 0.419 5.059 4.640 0.000 0.000 0.216 314 D C 0.024 176.316 176.300 -0.014 0.000 1.150 314 D CA -0.193 53.801 54.000 -0.010 0.000 0.832 314 D CB 0.063 40.860 40.800 -0.006 0.000 0.992 314 D HN 0.365 nan 8.370 nan 0.000 0.502 315 A N -0.433 122.382 122.820 -0.008 0.000 2.513 315 A HA 0.736 5.056 4.320 0.000 0.000 0.296 315 A C -1.023 176.537 177.584 -0.040 0.000 1.052 315 A CA -0.179 51.841 52.037 -0.029 0.000 0.714 315 A CB 1.450 20.443 19.000 -0.011 0.000 1.279 315 A HN 0.394 nan 8.150 nan 0.000 0.397 316 A N 0.927 123.643 122.820 -0.174 0.000 3.065 316 A HA 0.716 5.036 4.320 0.000 0.000 0.293 316 A C 0.843 178.180 177.584 -0.413 0.000 1.213 316 A CA 0.390 52.157 52.037 -0.451 0.000 0.667 316 A CB -0.090 18.344 19.000 -0.944 0.000 1.412 316 A HN 0.819 nan 8.150 nan 0.000 0.601 317 Q N -0.038 119.325 119.800 -0.729 0.000 2.084 317 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 317 Q C -0.206 175.707 176.000 -0.145 0.000 0.978 317 Q CA 1.086 56.710 55.803 -0.297 0.000 0.844 317 Q CB -0.211 28.370 28.738 -0.262 0.000 0.898 317 Q HN 0.671 nan 8.270 nan 0.000 0.426 318 N N -0.031 118.564 118.700 -0.175 0.000 2.412 318 N HA 0.017 4.757 4.740 0.000 0.000 0.254 318 N C 0.522 176.009 175.510 -0.038 0.000 1.232 318 N CA 1.328 54.344 53.050 -0.058 0.000 0.880 318 N CB 0.545 38.986 38.487 -0.076 0.000 1.076 318 N HN 0.473 nan 8.380 nan 0.000 0.458 319 G N 1.771 110.579 108.800 0.014 0.000 2.166 319 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 319 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 319 G C -0.060 174.830 174.900 -0.016 0.000 0.986 319 G CA 0.402 45.499 45.100 -0.005 0.000 0.683 319 G HN 0.759 nan 8.290 nan 0.000 0.527 320 D N -1.681 118.703 120.400 -0.025 0.000 2.882 320 D HA -0.202 4.438 4.640 0.000 0.000 0.229 320 D C 1.776 178.042 176.300 -0.057 0.000 1.167 320 D CA 1.289 55.267 54.000 -0.038 0.000 0.759 320 D CB -0.547 40.254 40.800 0.002 0.000 1.088 320 D HN 0.554 nan 8.370 nan 0.000 0.425 321 R N -0.044 120.420 120.500 -0.060 0.000 2.096 321 R HA 0.002 4.342 4.340 0.000 0.000 0.235 321 R C 1.444 177.684 176.300 -0.100 0.000 1.127 321 R CA 0.094 56.157 56.100 -0.062 0.000 0.968 321 R CB -0.342 29.924 30.300 -0.057 0.000 0.861 321 R HN 0.397 nan 8.270 nan 0.000 0.440 322 I N 1.968 122.484 120.570 -0.089 0.000 2.815 322 I HA -0.092 4.078 4.170 0.000 0.000 0.291 322 I C 0.000 175.960 176.117 -0.261 0.000 1.209 322 I CA 0.624 61.864 61.300 -0.099 0.000 1.431 322 I CB 0.436 38.489 38.000 0.088 0.000 1.351 322 I HN -0.100 nan 8.210 nan 0.000 0.585 323 K N 7.223 127.336 120.400 -0.478 0.000 2.443 323 K HA 0.428 4.748 4.320 0.000 0.000 0.251 323 K C -2.188 173.963 176.600 -0.748 0.000 0.972 323 K CA -1.662 54.119 56.287 -0.844 0.000 0.833 323 K CB 1.011 32.444 32.500 -1.779 0.000 1.317 323 K HN 0.165 nan 8.250 nan 0.000 0.441 324 P HA -0.116 nan 4.420 nan 0.000 0.221 324 P C 0.662 177.847 177.300 -0.192 0.000 1.145 324 P CA 1.197 64.124 63.100 -0.288 0.000 0.795 324 P CB -0.021 31.598 31.700 -0.135 0.000 0.775 325 W N -2.404 118.830 121.300 -0.109 0.000 3.256 325 W HA 0.318 4.978 4.660 0.000 0.000 0.269 325 W C 0.430 176.904 176.519 -0.074 0.000 1.310 325 W CA -0.252 57.021 57.345 -0.121 0.000 1.673 325 W CB -1.352 28.030 29.460 -0.131 0.000 1.115 325 W HN -0.219 nan 8.180 nan 0.000 0.686 326 M N 1.873 121.339 119.600 -0.223 0.000 2.291 326 M HA 0.227 4.707 4.480 0.000 0.000 0.324 326 M C -1.491 174.779 176.300 -0.050 0.000 1.148 326 M CA -1.831 53.414 55.300 -0.093 0.000 1.104 326 M CB 0.835 33.325 32.600 -0.184 0.000 1.483 326 M HN -0.399 nan 8.290 nan 0.000 0.467 327 P HA -0.039 nan 4.420 nan 0.000 0.288 327 P C -0.733 176.491 177.300 -0.128 0.000 1.448 327 P CA 0.345 63.444 63.100 -0.002 0.000 0.764 327 P CB -0.677 31.121 31.700 0.164 0.000 1.472 328 N N 0.635 119.239 118.700 -0.159 0.000 2.508 328 N HA 0.384 5.124 4.740 0.000 0.000 0.264 328 N C 0.422 175.744 175.510 -0.314 0.000 1.216 328 N CA 0.486 53.339 53.050 -0.328 0.000 0.943 328 N CB 0.396 38.684 38.487 -0.331 0.000 1.113 328 N HN 0.095 nan 8.380 nan 0.000 0.447 329 G N 0.978 109.542 108.800 -0.393 0.000 2.428 329 G HA2 0.432 4.392 3.960 0.000 0.000 0.304 329 G HA3 0.432 4.392 3.960 0.000 0.000 0.304 329 G C -1.655 173.105 174.900 -0.233 0.000 1.303 329 G CA -0.726 44.216 45.100 -0.264 0.000 0.825 329 G HN 0.548 nan 8.290 nan 0.000 0.484 330 I N 0.073 120.518 120.570 -0.209 0.000 2.533 330 I HA 0.597 4.768 4.170 0.000 0.000 0.290 330 I C -1.205 174.747 176.117 -0.276 0.000 1.056 330 I CA -0.537 60.654 61.300 -0.181 0.000 1.057 330 I CB 2.089 39.956 38.000 -0.221 0.000 1.240 330 I HN 0.301 nan 8.210 nan 0.000 0.423 331 F N 5.029 124.696 119.950 -0.472 0.000 2.611 331 F HA 0.626 5.153 4.527 0.000 0.000 0.324 331 F C -0.503 174.776 175.800 -0.869 0.000 1.061 331 F CA -0.731 56.925 58.000 -0.573 0.000 0.954 331 F CB 1.828 40.558 39.000 -0.450 0.000 1.301 331 F HN 0.323 nan 8.300 nan 0.000 0.482 332 Y N -1.645 118.421 120.300 -0.391 0.000 2.562 332 Y HA 0.831 5.381 4.550 0.000 0.000 0.345 332 Y C -1.337 174.611 175.900 0.079 0.000 1.045 332 Y CA -1.602 56.322 58.100 -0.295 0.000 1.028 332 Y CB 1.497 39.870 38.460 -0.145 0.000 1.297 332 Y HN 0.381 nan 8.280 nan 0.000 0.463 333 S N 1.429 117.451 115.700 0.537 0.000 2.526 333 S HA 0.758 5.228 4.470 0.000 0.000 0.293 333 S C -1.368 173.691 174.600 0.765 0.000 1.092 333 S CA -0.788 57.764 58.200 0.587 0.000 0.980 333 S CB 1.931 65.428 63.200 0.496 0.000 1.048 333 S HN 0.601 nan 8.310 nan 0.000 0.483 334 V N 3.207 123.524 119.914 0.672 0.000 2.513 334 V HA 0.451 4.572 4.120 0.000 0.000 0.299 334 V C -1.257 175.011 176.094 0.291 0.000 1.035 334 V CA -0.676 61.904 62.300 0.466 0.000 0.889 334 V CB 1.325 33.348 31.823 0.333 0.000 0.988 334 V HN 0.856 nan 8.190 nan 0.000 0.440 335 Y N 3.272 123.419 120.300 -0.256 0.000 2.335 335 Y HA 0.550 5.100 4.550 0.000 0.000 0.338 335 Y C -0.274 175.430 175.900 -0.326 0.000 0.977 335 Y CA -1.332 56.331 58.100 -0.730 0.000 1.114 335 Y CB 1.547 39.129 38.460 -1.464 0.000 1.182 335 Y HN 0.743 nan 8.280 nan 0.000 0.463 336 D N 5.105 125.048 120.400 -0.760 0.000 2.380 336 D HA 0.162 4.802 4.640 0.000 0.000 0.230 336 D C 0.551 176.339 176.300 -0.853 0.000 1.154 336 D CA 0.048 53.715 54.000 -0.556 0.000 0.859 336 D CB 1.202 41.801 40.800 -0.335 0.000 1.045 336 D HN 0.462 nan 8.370 nan 0.000 0.495 337 V N 4.407 124.001 119.914 -0.534 0.000 2.287 337 V HA -0.256 3.864 4.120 0.000 0.000 0.248 337 V C 2.444 178.395 176.094 -0.239 0.000 1.053 337 V CA 2.216 64.312 62.300 -0.340 0.000 1.027 337 V CB -0.891 30.927 31.823 -0.009 0.000 0.646 337 V HN 0.720 nan 8.190 nan 0.000 0.447 338 A N -0.596 122.120 122.820 -0.172 0.000 1.873 338 A HA -0.239 4.081 4.320 0.000 0.000 0.218 338 A C 2.413 179.919 177.584 -0.129 0.000 1.193 338 A CA 2.618 54.585 52.037 -0.116 0.000 0.629 338 A CB -0.719 18.229 19.000 -0.086 0.000 0.826 338 A HN 0.508 nan 8.150 nan 0.000 0.447 339 S N -2.038 113.561 115.700 -0.168 0.000 2.528 339 S HA 0.357 4.827 4.470 0.000 0.000 0.219 339 S C 1.253 175.758 174.600 -0.158 0.000 0.985 339 S CA 0.810 58.929 58.200 -0.134 0.000 0.914 339 S CB 0.110 63.244 63.200 -0.109 0.000 0.776 339 S HN 1.738 nan 8.310 nan 0.000 0.526 340 G N 2.733 111.348 108.800 -0.308 0.000 2.246 340 G HA2 -0.205 3.756 3.960 0.000 0.000 0.273 340 G HA3 -0.205 3.756 3.960 0.000 0.000 0.273 340 G C -0.487 174.315 174.900 -0.163 0.000 1.055 340 G CA -0.298 44.633 45.100 -0.282 0.000 0.851 340 G HN 0.428 nan 8.290 nan 0.000 0.500 341 N N -0.745 117.763 118.700 -0.320 0.000 2.321 341 N HA 0.569 5.309 4.740 0.000 0.000 0.299 341 N C -0.301 175.186 175.510 -0.038 0.000 1.048 341 N CA -0.443 52.571 53.050 -0.059 0.000 0.836 341 N CB 1.176 39.649 38.487 -0.024 0.000 1.269 341 N HN 0.308 nan 8.380 nan 0.000 0.486 342 W N 0.762 122.197 121.300 0.226 0.000 2.359 342 W HA 0.343 5.003 4.660 0.000 0.000 0.344 342 W C 0.606 177.219 176.519 0.157 0.000 1.170 342 W CA -0.369 57.138 57.345 0.270 0.000 1.296 342 W CB 0.915 30.524 29.460 0.248 0.000 1.197 342 W HN 0.179 nan 8.180 nan 0.000 0.618 343 Q N 1.175 121.273 119.800 0.497 0.000 2.351 343 Q HA 0.661 5.001 4.340 0.000 0.000 0.273 343 Q C -0.346 175.823 176.000 0.282 0.000 1.077 343 Q CA -1.115 54.871 55.803 0.304 0.000 0.843 343 Q CB 1.882 30.769 28.738 0.247 0.000 1.367 343 Q HN 0.540 nan 8.270 nan 0.000 0.449 344 A N 1.840 124.764 122.820 0.172 0.000 2.425 344 A HA 0.357 4.677 4.320 0.000 0.000 0.242 344 A C -2.205 175.439 177.584 0.100 0.000 1.077 344 A CA -0.870 51.235 52.037 0.113 0.000 0.781 344 A CB -0.563 18.481 19.000 0.074 0.000 1.020 344 A HN 0.383 nan 8.150 nan 0.000 0.494 345 P HA 0.218 nan 4.420 nan 0.000 0.268 345 P C -0.776 176.532 177.300 0.014 0.000 1.205 345 P CA 0.207 63.362 63.100 0.092 0.000 0.771 345 P CB 0.326 32.093 31.700 0.111 0.000 0.858 346 I N 2.217 122.654 120.570 -0.223 0.000 2.465 346 I HA 0.251 4.421 4.170 0.000 0.000 0.291 346 I C 0.069 175.890 176.117 -0.494 0.000 1.014 346 I CA -0.846 60.201 61.300 -0.421 0.000 1.093 346 I CB 1.558 39.009 38.000 -0.916 0.000 1.267 346 I HN 0.267 nan 8.210 nan 0.000 0.431 347 D N 5.383 125.466 120.400 -0.527 0.000 2.277 347 D HA 0.301 4.941 4.640 0.000 0.000 0.249 347 D C 0.603 176.569 176.300 -0.556 0.000 1.134 347 D CA -0.094 53.281 54.000 -1.041 0.000 0.863 347 D CB 1.494 41.708 40.800 -0.976 0.000 1.143 347 D HN 0.354 nan 8.370 nan 0.000 0.458 348 V N 0.917 120.528 119.914 -0.506 0.000 3.253 348 V HA 0.144 4.264 4.120 0.000 0.000 0.320 348 V C 1.595 177.556 176.094 -0.221 0.000 1.442 348 V CA -0.078 62.090 62.300 -0.221 0.000 1.097 348 V CB -0.129 31.641 31.823 -0.089 0.000 1.008 348 V HN 0.437 nan 8.190 nan 0.000 0.463 349 T N 1.373 115.731 114.554 -0.327 0.000 2.620 349 T HA -0.245 4.105 4.350 0.000 0.000 0.267 349 T C 1.446 176.074 174.700 -0.120 0.000 1.044 349 T CA 2.679 64.638 62.100 -0.234 0.000 1.161 349 T CB -0.434 68.277 68.868 -0.260 0.000 0.862 349 T HN 0.585 nan 8.240 nan 0.000 0.438 350 D N 1.028 121.375 120.400 -0.089 0.000 2.221 350 D HA -0.077 4.563 4.640 0.000 0.000 0.204 350 D C 2.271 178.579 176.300 0.012 0.000 0.982 350 D CA 0.940 54.934 54.000 -0.010 0.000 0.857 350 D CB -0.252 40.552 40.800 0.008 0.000 0.934 350 D HN 0.563 nan 8.370 nan 0.000 0.475 351 Q N -0.312 119.485 119.800 -0.004 0.000 2.269 351 Q HA -0.005 4.335 4.340 0.000 0.000 0.201 351 Q C 2.035 178.051 176.000 0.026 0.000 0.946 351 Q CA 0.754 56.573 55.803 0.026 0.000 0.877 351 Q CB 0.610 29.389 28.738 0.068 0.000 0.963 351 Q HN 0.334 nan 8.270 nan 0.000 0.472 352 V N -3.200 116.709 119.914 -0.007 0.000 3.604 352 V HA 0.263 4.383 4.120 0.000 0.000 0.277 352 V C 0.411 176.501 176.094 -0.007 0.000 1.399 352 V CA -0.223 62.070 62.300 -0.012 0.000 1.034 352 V CB 0.288 32.075 31.823 -0.060 0.000 0.824 352 V HN -0.042 nan 8.190 nan 0.000 0.439 353 K N 2.519 122.911 120.400 -0.015 0.000 2.300 353 K HA 0.304 4.624 4.320 0.000 0.000 0.264 353 K C 0.096 176.723 176.600 0.044 0.000 1.083 353 K CA -0.301 55.978 56.287 -0.014 0.000 0.958 353 K CB 0.664 33.122 32.500 -0.069 0.000 1.318 353 K HN 0.594 nan 8.250 nan 0.000 0.448 354 E N 3.366 123.620 120.200 0.091 0.000 2.413 354 E HA -0.017 4.333 4.350 0.000 0.000 0.263 354 E C -0.884 175.789 176.600 0.122 0.000 1.015 354 E CA 0.160 56.662 56.400 0.170 0.000 0.916 354 E CB 0.626 30.474 29.700 0.247 0.000 0.947 354 E HN 0.381 nan 8.360 nan 0.000 0.440 355 R N 2.253 122.851 120.500 0.163 0.000 2.422 355 R HA 0.312 4.652 4.340 0.000 0.000 0.307 355 R C -1.231 175.162 176.300 0.154 0.000 1.004 355 R CA -0.208 55.933 56.100 0.068 0.000 0.882 355 R CB 1.697 31.899 30.300 -0.164 0.000 1.164 355 R HN 0.614 nan 8.270 nan 0.000 0.489 356 S N 1.201 116.989 115.700 0.147 0.000 2.636 356 S HA 0.474 4.945 4.470 0.000 0.000 0.268 356 S C -1.551 173.153 174.600 0.173 0.000 1.159 356 S CA -0.950 57.361 58.200 0.185 0.000 0.815 356 S CB 0.955 64.337 63.200 0.302 0.000 1.130 356 S HN 0.293 nan 8.310 nan 0.000 0.471 357 F N 1.915 121.852 119.950 -0.021 0.000 2.410 357 F HA 0.588 5.115 4.527 0.000 0.000 0.349 357 F C -0.177 175.527 175.800 -0.160 0.000 1.117 357 F CA -0.417 57.446 58.000 -0.229 0.000 1.104 357 F CB 1.248 40.123 39.000 -0.207 0.000 1.122 357 F HN 0.665 nan 8.300 nan 0.000 0.483 358 Q N 6.904 126.166 119.800 -0.897 0.000 2.316 358 Q HA 0.573 4.913 4.340 0.000 0.000 0.264 358 Q C -1.138 174.415 176.000 -0.744 0.000 0.987 358 Q CA -0.634 54.705 55.803 -0.775 0.000 0.852 358 Q CB 2.763 30.935 28.738 -0.944 0.000 1.287 358 Q HN 0.631 nan 8.270 nan 0.000 0.448 359 I N 1.794 122.140 120.570 -0.374 0.000 2.411 359 I HA 0.436 4.606 4.170 0.000 0.000 0.284 359 I C -0.523 175.435 176.117 -0.265 0.000 1.012 359 I CA -0.724 60.407 61.300 -0.283 0.000 1.119 359 I CB 1.663 39.612 38.000 -0.084 0.000 1.261 359 I HN 0.607 nan 8.210 nan 0.000 0.448 360 A N 4.814 127.409 122.820 -0.375 0.000 2.582 360 A HA 0.565 4.885 4.320 0.000 0.000 0.336 360 A C 0.798 178.111 177.584 -0.452 0.000 1.445 360 A CA -0.445 51.172 52.037 -0.700 0.000 0.997 360 A CB -0.029 18.393 19.000 -0.963 0.000 1.148 360 A HN 0.885 nan 8.150 nan 0.000 0.514 361 G N 2.130 110.746 108.800 -0.307 0.000 3.455 361 G HA2 0.320 4.280 3.960 0.000 0.000 0.250 361 G HA3 0.320 4.280 3.960 0.000 0.000 0.250 361 G C -0.422 174.565 174.900 0.145 0.000 1.071 361 G CA -0.287 44.781 45.100 -0.053 0.000 1.812 361 G HN 0.651 nan 8.290 nan 0.000 0.643 362 W N 0.373 121.699 121.300 0.043 0.000 2.292 362 W HA 0.516 5.176 4.660 0.000 0.000 0.352 362 W C 0.929 177.676 176.519 0.381 0.000 0.962 362 W CA -0.836 56.522 57.345 0.022 0.000 1.496 362 W CB 0.433 29.601 29.460 -0.486 0.000 1.381 362 W HN 0.546 nan 8.180 nan 0.000 0.363 363 G N 1.334 110.470 108.800 0.560 0.000 2.138 363 G HA2 0.137 4.097 3.960 0.000 0.000 0.193 363 G HA3 0.137 4.097 3.960 0.000 0.000 0.193 363 G C 0.191 175.163 174.900 0.120 0.000 0.998 363 G CA -0.231 45.136 45.100 0.444 0.000 0.668 363 G HN 1.008 nan 8.290 nan 0.000 0.516 364 G N -1.429 107.436 108.800 0.108 0.000 2.340 364 G HA2 0.835 4.795 3.960 0.000 0.000 0.299 364 G HA3 0.835 4.795 3.960 0.000 0.000 0.299 364 G C -0.585 174.322 174.900 0.013 0.000 1.291 364 G CA 0.643 45.746 45.100 0.004 0.000 0.841 364 G HN 1.872 nan 8.290 nan 0.000 0.500 365 S N -1.262 114.419 115.700 -0.030 0.000 2.526 365 S HA 0.801 5.271 4.470 0.000 0.000 0.293 365 S C -0.975 173.573 174.600 -0.086 0.000 1.092 365 S CA -0.571 57.606 58.200 -0.039 0.000 0.980 365 S CB 2.533 65.713 63.200 -0.033 0.000 1.048 365 S HN 0.909 nan 8.310 nan 0.000 0.483 366 E N 2.403 122.541 120.200 -0.104 0.000 2.302 366 E HA 0.545 4.895 4.350 0.000 0.000 0.263 366 E C -1.750 174.699 176.600 -0.251 0.000 0.897 366 E CA -0.527 55.761 56.400 -0.187 0.000 0.809 366 E CB 0.942 30.564 29.700 -0.129 0.000 1.270 366 E HN 0.755 nan 8.360 nan 0.000 0.410 367 L N 3.691 124.684 121.223 -0.383 0.000 2.341 367 L HA 0.578 4.918 4.340 0.000 0.000 0.267 367 L C -1.244 175.209 176.870 -0.695 0.000 1.009 367 L CA -1.098 53.506 54.840 -0.393 0.000 0.819 367 L CB 1.658 43.599 42.059 -0.197 0.000 1.323 367 L HN 0.560 nan 8.230 nan 0.000 0.425 368 Y N 1.361 121.411 120.300 -0.416 0.000 2.331 368 Y HA 0.528 5.078 4.550 0.000 0.000 0.334 368 Y C -0.241 175.719 175.900 0.101 0.000 0.960 368 Y CA -0.553 57.379 58.100 -0.280 0.000 1.130 368 Y CB 1.844 39.846 38.460 -0.765 0.000 1.164 368 Y HN 0.386 nan 8.280 nan 0.000 0.458 369 R N 3.264 123.959 120.500 0.324 0.000 2.599 369 R HA 0.589 4.929 4.340 0.000 0.000 0.295 369 R C -1.210 175.149 176.300 0.099 0.000 0.963 369 R CA -0.924 55.318 56.100 0.237 0.000 0.883 369 R CB 1.325 31.665 30.300 0.067 0.000 1.171 369 R HN 0.586 nan 8.270 nan 0.000 0.450 370 R N 3.756 124.139 120.500 -0.196 0.000 2.435 370 R HA 0.268 4.608 4.340 0.000 0.000 0.308 370 R C -1.199 174.914 176.300 -0.310 0.000 0.975 370 R CA -0.679 55.111 56.100 -0.518 0.000 0.867 370 R CB 0.945 30.453 30.300 -1.320 0.000 1.171 370 R HN 0.725 nan 8.270 nan 0.000 0.470 371 N N 1.923 120.496 118.700 -0.211 0.000 2.492 371 N HA 0.062 4.802 4.740 0.000 0.000 0.260 371 N C 0.135 175.540 175.510 -0.174 0.000 1.215 371 N CA 0.583 53.541 53.050 -0.154 0.000 0.923 371 N CB 1.135 39.556 38.487 -0.109 0.000 1.092 371 N HN 0.607 nan 8.380 nan 0.000 0.448 372 T N -3.111 111.351 114.554 -0.154 0.000 2.831 372 T HA 0.567 4.917 4.350 0.000 0.000 0.287 372 T C 0.109 174.740 174.700 -0.116 0.000 1.070 372 T CA -0.890 61.119 62.100 -0.150 0.000 1.010 372 T CB 1.108 69.863 68.868 -0.188 0.000 1.264 372 T HN 0.297 nan 8.240 nan 0.000 0.532 373 S N 0.084 115.725 115.700 -0.098 0.000 2.558 373 S HA 0.396 4.866 4.470 0.000 0.000 0.238 373 S C 0.084 174.646 174.600 -0.064 0.000 1.183 373 S CA -0.788 57.371 58.200 -0.068 0.000 1.185 373 S CB -0.905 62.270 63.200 -0.040 0.000 1.003 373 S HN 0.647 nan 8.310 nan 0.000 0.478 374 L N 2.128 123.280 121.223 -0.117 0.000 2.499 374 L HA 0.227 4.567 4.340 0.000 0.000 0.281 374 L C 0.657 177.506 176.870 -0.035 0.000 1.234 374 L CA -0.084 54.683 54.840 -0.123 0.000 0.839 374 L CB 0.246 42.103 42.059 -0.336 0.000 1.104 374 L HN 0.412 nan 8.230 nan 0.000 0.500 375 N N 0.480 119.210 118.700 0.051 0.000 2.501 375 N HA 0.064 4.804 4.740 0.000 0.000 0.245 375 N C 0.681 176.299 175.510 0.180 0.000 0.974 375 N CA -0.161 52.946 53.050 0.095 0.000 0.941 375 N CB 1.484 40.033 38.487 0.103 0.000 1.122 375 N HN 0.601 nan 8.380 nan 0.000 0.507 376 S N 2.803 118.593 115.700 0.150 0.000 2.500 376 S HA -0.126 4.344 4.470 0.000 0.000 0.239 376 S C 1.045 175.846 174.600 0.335 0.000 0.989 376 S CA 0.818 59.146 58.200 0.212 0.000 0.951 376 S CB -0.125 63.156 63.200 0.134 0.000 0.759 376 S HN 0.686 nan 8.310 nan 0.000 0.523 377 Q N 1.060 121.002 119.800 0.237 0.000 2.444 377 Q HA 0.115 4.455 4.340 0.000 0.000 0.206 377 Q C 0.564 176.669 176.000 0.176 0.000 0.948 377 Q CA 0.262 56.184 55.803 0.199 0.000 0.946 377 Q CB 0.028 28.845 28.738 0.131 0.000 1.027 377 Q HN 0.877 nan 8.270 nan 0.000 0.513 378 Q N -0.378 119.566 119.800 0.239 0.000 2.456 378 Q HA 0.374 4.714 4.340 0.000 0.000 0.283 378 Q C -1.380 174.778 176.000 0.265 0.000 1.084 378 Q CA -1.042 54.868 55.803 0.179 0.000 0.801 378 Q CB 1.185 30.006 28.738 0.138 0.000 1.434 378 Q HN -0.190 nan 8.270 nan 0.000 0.419 379 D N 1.903 122.365 120.400 0.104 0.000 2.449 379 D HA 0.163 4.803 4.640 0.000 0.000 0.236 379 D C -0.633 175.806 176.300 0.233 0.000 1.149 379 D CA 0.564 54.592 54.000 0.047 0.000 0.878 379 D CB 0.459 41.219 40.800 -0.067 0.000 1.198 379 D HN 0.516 nan 8.370 nan 0.000 0.446 380 W N -0.085 121.330 121.300 0.192 0.000 3.167 380 W HA 0.544 5.205 4.660 0.000 0.000 0.324 380 W C -1.467 175.105 176.519 0.088 0.000 1.230 380 W CA -0.945 56.468 57.345 0.113 0.000 1.184 380 W CB 0.779 30.288 29.460 0.082 0.000 1.414 380 W HN 0.101 nan 8.180 nan 0.000 0.551 381 Q N 1.890 121.984 119.800 0.491 0.000 2.389 381 Q HA 0.584 4.924 4.340 0.000 0.000 0.277 381 Q C -0.723 175.516 176.000 0.398 0.000 1.082 381 Q CA -0.747 55.265 55.803 0.348 0.000 0.810 381 Q CB 2.559 31.379 28.738 0.136 0.000 1.374 381 Q HN 0.520 nan 8.270 nan 0.000 0.422 382 S N 0.629 116.551 115.700 0.371 0.000 2.569 382 S HA 0.861 5.331 4.470 0.000 0.000 0.280 382 S C -1.090 173.653 174.600 0.238 0.000 1.111 382 S CA -0.821 57.555 58.200 0.294 0.000 0.887 382 S CB 1.384 64.788 63.200 0.340 0.000 1.095 382 S HN 0.508 nan 8.310 nan 0.000 0.476 383 N N -0.044 118.770 118.700 0.191 0.000 2.260 383 N HA 0.770 5.510 4.740 0.000 0.000 0.293 383 N C -1.603 174.010 175.510 0.172 0.000 1.058 383 N CA -0.436 52.717 53.050 0.171 0.000 0.824 383 N CB 2.197 40.746 38.487 0.104 0.000 1.551 383 N HN 1.032 nan 8.380 nan 0.000 0.475 384 A N 1.489 124.439 122.820 0.216 0.000 2.414 384 A HA 0.470 4.790 4.320 0.000 0.000 0.286 384 A C -0.864 176.884 177.584 0.274 0.000 1.073 384 A CA -0.682 51.475 52.037 0.199 0.000 0.727 384 A CB 0.719 19.843 19.000 0.205 0.000 1.215 384 A HN 0.536 nan 8.150 nan 0.000 0.430 385 K N 3.576 124.085 120.400 0.181 0.000 2.263 385 K HA 0.634 4.954 4.320 0.000 0.000 0.282 385 K C -1.138 175.683 176.600 0.368 0.000 1.089 385 K CA -0.039 56.383 56.287 0.224 0.000 0.907 385 K CB 0.137 32.650 32.500 0.022 0.000 1.148 385 K HN 0.677 nan 8.250 nan 0.000 0.470 386 I N 3.063 123.961 120.570 0.547 0.000 2.689 386 I HA 0.459 4.629 4.170 0.000 0.000 0.299 386 I C -0.483 175.889 176.117 0.424 0.000 1.059 386 I CA -1.161 60.439 61.300 0.500 0.000 1.055 386 I CB 2.275 40.442 38.000 0.278 0.000 1.243 386 I HN 0.480 nan 8.210 nan 0.000 0.425 387 R N 5.014 125.554 120.500 0.066 0.000 2.561 387 R HA 0.578 4.918 4.340 0.000 0.000 0.297 387 R C -1.523 174.685 176.300 -0.155 0.000 0.969 387 R CA -0.674 55.234 56.100 -0.319 0.000 0.879 387 R CB 1.415 30.928 30.300 -1.311 0.000 1.178 387 R HN 0.463 nan 8.270 nan 0.000 0.445 388 I N 6.022 126.557 120.570 -0.059 0.000 2.297 388 I HA 0.104 4.274 4.170 0.000 0.000 0.291 388 I C 1.215 177.353 176.117 0.035 0.000 1.033 388 I CA -0.189 61.102 61.300 -0.015 0.000 1.253 388 I CB 1.425 39.440 38.000 0.025 0.000 1.396 388 I HN 0.589 nan 8.210 nan 0.000 0.476 389 V N 5.416 125.292 119.914 -0.063 0.000 2.346 389 V HA -0.105 4.015 4.120 0.000 0.000 0.244 389 V C 0.465 176.645 176.094 0.144 0.000 1.037 389 V CA 1.607 63.885 62.300 -0.036 0.000 1.029 389 V CB -0.515 31.184 31.823 -0.207 0.000 0.663 389 V HN 0.961 nan 8.190 nan 0.000 0.454 390 D N -3.921 116.580 120.400 0.169 0.000 2.725 390 D HA 0.472 5.112 4.640 0.000 0.000 0.292 390 D C 0.091 176.506 176.300 0.192 0.000 1.288 390 D CA 0.252 54.373 54.000 0.202 0.000 0.784 390 D CB 0.850 41.764 40.800 0.189 0.000 1.308 390 D HN 0.546 nan 8.370 nan 0.000 0.429 391 G N -0.555 108.339 108.800 0.156 0.000 2.562 391 G HA2 0.404 4.364 3.960 0.000 0.000 0.250 391 G HA3 0.404 4.364 3.960 0.000 0.000 0.250 391 G C 0.079 175.041 174.900 0.104 0.000 1.269 391 G CA 1.195 46.378 45.100 0.139 0.000 0.919 391 G HN 1.729 nan 8.290 nan 0.000 0.574 392 A N -2.715 120.166 122.820 0.102 0.000 2.583 392 A HA 1.049 5.369 4.320 0.000 0.000 0.299 392 A C 1.350 178.978 177.584 0.073 0.000 1.258 392 A CA 1.331 53.412 52.037 0.073 0.000 0.682 392 A CB 0.272 19.307 19.000 0.059 0.000 1.332 392 A HN 3.019 nan 8.150 nan 0.000 0.485 393 A N -0.777 122.077 122.820 0.056 0.000 2.887 393 A HA -0.183 4.137 4.320 0.000 0.000 0.257 393 A C -0.066 177.551 177.584 0.055 0.000 1.372 393 A CA 1.403 53.473 52.037 0.054 0.000 0.879 393 A CB -2.699 16.337 19.000 0.060 0.000 1.082 393 A HN 1.028 nan 8.150 nan 0.000 0.703 394 N N 0.873 119.604 118.700 0.052 0.000 2.419 394 N HA 0.511 5.251 4.740 0.000 0.000 0.264 394 N C -0.187 175.352 175.510 0.049 0.000 1.031 394 N CA 0.247 53.331 53.050 0.057 0.000 0.951 394 N CB 0.658 39.174 38.487 0.048 0.000 1.101 394 N HN 0.764 nan 8.380 nan 0.000 0.488 395 Q N 1.093 120.943 119.800 0.085 0.000 2.553 395 Q HA 0.655 4.995 4.340 0.000 0.000 0.293 395 Q C -1.663 174.436 176.000 0.164 0.000 1.038 395 Q CA -1.070 54.788 55.803 0.091 0.000 0.777 395 Q CB 1.936 30.730 28.738 0.093 0.000 1.487 395 Q HN 0.473 nan 8.270 nan 0.000 0.426 396 I N 1.091 121.758 120.570 0.162 0.000 2.499 396 I HA 0.364 4.534 4.170 0.000 0.000 0.288 396 I C -1.558 174.711 176.117 0.254 0.000 1.048 396 I CA -0.241 61.202 61.300 0.239 0.000 1.062 396 I CB 2.131 40.245 38.000 0.190 0.000 1.238 396 I HN 0.822 nan 8.210 nan 0.000 0.426 397 Q N 6.390 126.353 119.800 0.271 0.000 2.456 397 Q HA 0.876 5.216 4.340 0.000 0.000 0.283 397 Q C -2.207 173.924 176.000 0.218 0.000 1.084 397 Q CA -0.874 55.084 55.803 0.259 0.000 0.801 397 Q CB 2.674 31.533 28.738 0.202 0.000 1.434 397 Q HN 0.469 nan 8.270 nan 0.000 0.419 398 V N 0.713 120.751 119.914 0.207 0.000 2.668 398 V HA 0.818 4.939 4.120 0.000 0.000 0.304 398 V C -1.160 174.959 176.094 0.042 0.000 1.071 398 V CA -0.361 61.958 62.300 0.032 0.000 0.894 398 V CB 1.607 33.356 31.823 -0.123 0.000 1.008 398 V HN 0.934 nan 8.190 nan 0.000 0.425 399 A N 2.641 125.408 122.820 -0.089 0.000 2.355 399 A HA 0.810 5.131 4.320 0.000 0.000 0.317 399 A C -0.116 177.355 177.584 -0.189 0.000 1.094 399 A CA -0.432 51.563 52.037 -0.071 0.000 0.764 399 A CB 1.240 20.207 19.000 -0.056 0.000 1.230 399 A HN 0.948 nan 8.150 nan 0.000 0.448 400 D N 0.750 121.066 120.400 -0.140 0.000 2.462 400 D HA 0.359 4.999 4.640 0.000 0.000 0.221 400 D C 0.966 177.213 176.300 -0.088 0.000 1.173 400 D CA 0.585 54.468 54.000 -0.196 0.000 0.831 400 D CB 0.136 40.827 40.800 -0.182 0.000 1.001 400 D HN 1.403 nan 8.370 nan 0.000 0.499 401 G N -0.780 107.980 108.800 -0.066 0.000 2.195 401 G HA2 -0.311 3.649 3.960 0.000 0.000 0.246 401 G HA3 -0.311 3.649 3.960 0.000 0.000 0.246 401 G C 1.102 175.991 174.900 -0.017 0.000 0.984 401 G CA 0.414 45.491 45.100 -0.039 0.000 0.633 401 G HN 0.385 nan 8.290 nan 0.000 0.525 402 S N -1.400 114.294 115.700 -0.011 0.000 3.019 402 S HA 0.439 4.909 4.470 0.000 0.000 0.258 402 S C 0.667 175.249 174.600 -0.029 0.000 1.082 402 S CA 0.754 58.956 58.200 0.003 0.000 0.836 402 S CB 0.967 64.197 63.200 0.050 0.000 0.834 402 S HN 0.576 nan 8.310 nan 0.000 0.457 403 R N 1.454 121.922 120.500 -0.053 0.000 2.740 403 R HA 0.522 4.862 4.340 0.000 0.000 0.273 403 R C -1.702 174.427 176.300 -0.285 0.000 0.998 403 R CA -0.564 55.415 56.100 -0.202 0.000 0.900 403 R CB 1.488 31.617 30.300 -0.284 0.000 1.223 403 R HN -0.004 nan 8.270 nan 0.000 0.466 404 K N 2.499 122.664 120.400 -0.392 0.000 2.244 404 K HA 0.371 4.691 4.320 0.000 0.000 0.260 404 K C -1.551 174.792 176.600 -0.428 0.000 0.951 404 K CA -0.537 55.600 56.287 -0.249 0.000 0.826 404 K CB 0.948 33.393 32.500 -0.092 0.000 1.108 404 K HN 0.534 nan 8.250 nan 0.000 0.433 405 Y N 2.410 122.779 120.300 0.114 0.000 2.326 405 Y HA 0.370 4.920 4.550 0.000 0.000 0.331 405 Y C -0.632 175.493 175.900 0.375 0.000 0.962 405 Y CA -0.914 57.313 58.100 0.211 0.000 1.167 405 Y CB 1.980 40.462 38.460 0.036 0.000 1.148 405 Y HN 0.106 nan 8.280 nan 0.000 0.463 406 V N 4.511 124.766 119.914 0.568 0.000 2.531 406 V HA 0.492 4.612 4.120 0.000 0.000 0.301 406 V C -0.668 175.628 176.094 0.337 0.000 1.034 406 V CA -0.956 61.575 62.300 0.385 0.000 0.865 406 V CB 1.875 33.836 31.823 0.229 0.000 0.995 406 V HN 0.477 nan 8.190 nan 0.000 0.424 407 V N 3.645 123.707 119.914 0.246 0.000 2.357 407 V HA 0.458 4.578 4.120 0.000 0.000 0.284 407 V C 0.213 176.329 176.094 0.037 0.000 1.018 407 V CA -0.197 62.159 62.300 0.093 0.000 0.841 407 V CB 1.896 33.774 31.823 0.091 0.000 0.991 407 V HN 0.954 nan 8.190 nan 0.000 0.437 408 T N 7.043 121.599 114.554 0.003 0.000 2.758 408 T HA 0.635 4.985 4.350 0.000 0.000 0.285 408 T C -0.309 174.374 174.700 -0.027 0.000 0.981 408 T CA -0.259 61.842 62.100 0.002 0.000 0.965 408 T CB 0.727 69.606 68.868 0.018 0.000 0.927 408 T HN 0.334 nan 8.240 nan 0.000 0.448 409 L N 3.408 124.608 121.223 -0.037 0.000 2.317 409 L HA 0.767 5.107 4.340 0.000 0.000 0.281 409 L C 0.414 177.282 176.870 -0.002 0.000 1.024 409 L CA -0.600 54.216 54.840 -0.040 0.000 0.810 409 L CB 1.558 43.561 42.059 -0.093 0.000 1.240 409 L HN 0.768 nan 8.230 nan 0.000 0.427 410 S N 2.241 117.943 115.700 0.003 0.000 2.625 410 S HA 0.660 5.130 4.470 0.000 0.000 0.271 410 S C -1.088 173.518 174.600 0.010 0.000 1.161 410 S CA -0.943 57.268 58.200 0.019 0.000 0.820 410 S CB 1.930 65.145 63.200 0.024 0.000 1.137 410 S HN 0.279 nan 8.310 nan 0.000 0.470 411 I N 3.019 123.604 120.570 0.025 0.000 2.330 411 I HA 0.349 4.519 4.170 0.000 0.000 0.289 411 I C 0.075 176.208 176.117 0.027 0.000 1.001 411 I CA -0.369 60.940 61.300 0.016 0.000 1.193 411 I CB 0.564 38.597 38.000 0.055 0.000 1.345 411 I HN 0.935 nan 8.210 nan 0.000 0.461 412 D N 4.849 125.261 120.400 0.020 0.000 2.414 412 D HA 0.097 4.737 4.640 0.000 0.000 0.259 412 D C 0.778 177.097 176.300 0.033 0.000 1.269 412 D CA -0.221 53.794 54.000 0.024 0.000 1.028 412 D CB 0.828 41.639 40.800 0.017 0.000 1.093 412 D HN 0.322 nan 8.370 nan 0.000 0.545 413 E N -0.768 119.450 120.200 0.030 0.000 2.160 413 E HA -0.108 4.242 4.350 0.000 0.000 0.195 413 E C 1.746 178.372 176.600 0.043 0.000 0.991 413 E CA 1.390 57.809 56.400 0.032 0.000 0.810 413 E CB -0.277 29.438 29.700 0.025 0.000 0.742 413 E HN 0.371 nan 8.360 nan 0.000 0.466 414 S N -1.214 114.516 115.700 0.051 0.000 2.593 414 S HA 0.217 4.687 4.470 0.000 0.000 0.217 414 S C 1.348 176.039 174.600 0.151 0.000 0.966 414 S CA 0.518 58.765 58.200 0.079 0.000 0.914 414 S CB 0.454 63.688 63.200 0.057 0.000 0.776 414 S HN 0.476 nan 8.310 nan 0.000 0.523 415 G N 1.120 109.984 108.800 0.107 0.000 2.131 415 G HA2 -0.140 3.820 3.960 0.000 0.000 0.223 415 G HA3 -0.140 3.820 3.960 0.000 0.000 0.223 415 G C 0.235 175.211 174.900 0.128 0.000 0.990 415 G CA -0.309 44.850 45.100 0.099 0.000 0.671 415 G HN 0.791 nan 8.290 nan 0.000 0.521 416 G N -0.929 107.922 108.800 0.084 0.000 2.477 416 G HA2 0.682 4.642 3.960 0.000 0.000 0.304 416 G HA3 0.682 4.642 3.960 0.000 0.000 0.304 416 G C -0.298 174.590 174.900 -0.020 0.000 1.175 416 G CA -0.547 44.575 45.100 0.038 0.000 0.907 416 G HN 0.953 nan 8.290 nan 0.000 0.509 417 L N 1.336 122.533 121.223 -0.042 0.000 2.264 417 L HA 0.602 4.942 4.340 0.000 0.000 0.289 417 L C -0.335 176.518 176.870 -0.029 0.000 1.044 417 L CA -0.321 54.488 54.840 -0.051 0.000 0.807 417 L CB 1.305 43.327 42.059 -0.062 0.000 1.192 417 L HN 0.192 nan 8.230 nan 0.000 0.425 418 V N 4.473 124.376 119.914 -0.018 0.000 2.769 418 V HA 0.897 5.017 4.120 0.000 0.000 0.312 418 V C -0.052 176.033 176.094 -0.015 0.000 1.061 418 V CA -0.471 61.819 62.300 -0.017 0.000 0.931 418 V CB 1.575 33.390 31.823 -0.013 0.000 1.010 418 V HN 0.944 nan 8.190 nan 0.000 0.433 419 A N 3.549 126.354 122.820 -0.025 0.000 2.355 419 A HA 0.798 5.118 4.320 0.000 0.000 0.317 419 A C -0.648 176.893 177.584 -0.072 0.000 1.094 419 A CA -0.722 51.292 52.037 -0.039 0.000 0.764 419 A CB 1.027 20.015 19.000 -0.020 0.000 1.230 419 A HN 0.771 nan 8.150 nan 0.000 0.448 420 N N 1.743 120.396 118.700 -0.079 0.000 2.346 420 N HA 0.501 5.241 4.740 0.000 0.000 0.289 420 N C -1.449 173.978 175.510 -0.138 0.000 1.027 420 N CA -0.297 52.697 53.050 -0.094 0.000 0.864 420 N CB 1.922 40.382 38.487 -0.045 0.000 1.370 420 N HN 0.576 nan 8.380 nan 0.000 0.481 421 L N 2.216 123.296 121.223 -0.239 0.000 2.317 421 L HA 0.356 4.696 4.340 0.000 0.000 0.281 421 L C 0.523 177.328 176.870 -0.108 0.000 1.024 421 L CA -1.227 53.392 54.840 -0.368 0.000 0.810 421 L CB 1.114 42.525 42.059 -1.080 0.000 1.240 421 L HN 0.514 nan 8.230 nan 0.000 0.427 422 N N 2.301 121.076 118.700 0.125 0.000 2.411 422 N HA 0.034 4.774 4.740 0.000 0.000 0.261 422 N C 0.802 176.451 175.510 0.231 0.000 1.248 422 N CA 0.720 53.878 53.050 0.180 0.000 0.885 422 N CB 1.119 39.732 38.487 0.211 0.000 1.062 422 N HN 0.881 nan 8.380 nan 0.000 0.471 423 G N 0.399 109.280 108.800 0.136 0.000 2.176 423 G HA2 -0.225 3.735 3.960 0.000 0.000 0.232 423 G HA3 -0.225 3.735 3.960 0.000 0.000 0.232 423 G C -0.511 174.456 174.900 0.112 0.000 0.986 423 G CA 0.224 45.408 45.100 0.139 0.000 0.643 423 G HN 0.686 nan 8.290 nan 0.000 0.522 424 V N 2.075 122.023 119.914 0.057 0.000 2.378 424 V HA 0.561 4.681 4.120 0.000 0.000 0.288 424 V C 1.467 177.555 176.094 -0.010 0.000 1.016 424 V CA 0.344 62.651 62.300 0.012 0.000 0.840 424 V CB 1.377 33.164 31.823 -0.061 0.000 0.994 424 V HN 0.708 nan 8.190 nan 0.000 0.431 425 S N 4.072 119.773 115.700 0.002 0.000 2.371 425 S HA 0.050 4.520 4.470 0.000 0.000 0.224 425 S C 1.162 175.754 174.600 -0.014 0.000 1.029 425 S CA 0.672 58.871 58.200 -0.002 0.000 0.978 425 S CB -0.057 63.147 63.200 0.006 0.000 0.833 425 S HN 1.112 nan 8.310 nan 0.000 0.466 426 A N 3.882 126.690 122.820 -0.019 0.000 2.444 426 A HA 0.587 4.907 4.320 0.000 0.000 0.273 426 A C -2.297 175.261 177.584 -0.043 0.000 1.136 426 A CA -1.275 50.747 52.037 -0.026 0.000 0.799 426 A CB -0.434 18.552 19.000 -0.022 0.000 1.081 426 A HN 0.365 nan 8.150 nan 0.000 0.509 427 P HA 0.370 nan 4.420 nan 0.000 0.274 427 P C -0.691 176.579 177.300 -0.049 0.000 1.237 427 P CA -0.068 63.005 63.100 -0.045 0.000 0.793 427 P CB 0.625 32.308 31.700 -0.029 0.000 0.977 428 I N 2.523 123.058 120.570 -0.059 0.000 2.362 428 I HA 0.270 4.440 4.170 0.000 0.000 0.289 428 I C -0.082 176.008 176.117 -0.044 0.000 0.994 428 I CA -0.802 60.464 61.300 -0.056 0.000 1.158 428 I CB 1.155 39.111 38.000 -0.075 0.000 1.315 428 I HN 0.067 nan 8.210 nan 0.000 0.451 429 I N 7.352 127.898 120.570 -0.039 0.000 2.308 429 I HA 0.045 4.215 4.170 0.000 0.000 0.293 429 I C 0.787 176.876 176.117 -0.047 0.000 1.078 429 I CA -0.058 61.220 61.300 -0.036 0.000 1.292 429 I CB 0.747 38.729 38.000 -0.030 0.000 1.423 429 I HN 0.594 nan 8.210 nan 0.000 0.493 430 L N 5.121 126.312 121.223 -0.054 0.000 2.127 430 L HA 0.054 4.394 4.340 0.000 0.000 0.203 430 L C 0.915 177.724 176.870 -0.101 0.000 1.080 430 L CA 1.427 56.215 54.840 -0.086 0.000 0.768 430 L CB -0.368 41.630 42.059 -0.101 0.000 0.924 430 L HN 0.549 nan 8.230 nan 0.000 0.444 431 Q N -1.831 117.922 119.800 -0.079 0.000 2.379 431 Q HA 0.414 4.754 4.340 0.000 0.000 0.278 431 Q C 0.292 176.276 176.000 -0.028 0.000 1.068 431 Q CA 0.365 56.135 55.803 -0.054 0.000 0.816 431 Q CB 2.101 30.810 28.738 -0.048 0.000 1.387 431 Q HN 0.130 nan 8.270 nan 0.000 0.413 432 S N -0.781 114.904 115.700 -0.025 0.000 2.593 432 S HA 0.169 4.639 4.470 0.000 0.000 0.235 432 S C 0.007 174.567 174.600 -0.067 0.000 1.059 432 S CA -0.227 57.953 58.200 -0.033 0.000 0.953 432 S CB 0.362 63.533 63.200 -0.048 0.000 0.897 432 S HN 0.490 nan 8.310 nan 0.000 0.507 433 E N 2.134 122.306 120.200 -0.047 0.000 2.217 433 E HA 0.172 4.522 4.350 0.000 0.000 0.279 433 E C 0.290 176.916 176.600 0.043 0.000 1.068 433 E CA -0.346 56.016 56.400 -0.062 0.000 0.882 433 E CB 0.373 30.061 29.700 -0.019 0.000 1.039 433 E HN 0.336 nan 8.360 nan 0.000 0.418 434 H N 2.672 121.751 119.070 0.015 0.000 2.394 434 H HA -0.231 4.325 4.556 0.000 0.000 0.297 434 H C 1.960 177.353 175.328 0.108 0.000 1.113 434 H CA 1.645 57.727 56.048 0.056 0.000 1.277 434 H CB -0.309 29.481 29.762 0.047 0.000 1.370 434 H HN 0.653 nan 8.280 nan 0.000 0.506 435 A N 1.028 123.970 122.820 0.205 0.000 1.902 435 A HA -0.169 4.151 4.320 0.000 0.000 0.217 435 A C 2.329 180.014 177.584 0.169 0.000 1.181 435 A CA 1.679 53.831 52.037 0.192 0.000 0.623 435 A CB -0.243 18.864 19.000 0.178 0.000 0.818 435 A HN 0.360 nan 8.150 nan 0.000 0.443 436 K N -0.486 120.000 120.400 0.143 0.000 2.228 436 K HA 0.053 4.373 4.320 0.000 0.000 0.202 436 K C 1.749 178.472 176.600 0.205 0.000 1.051 436 K CA 0.864 57.252 56.287 0.169 0.000 0.960 436 K CB -0.135 32.457 32.500 0.154 0.000 0.743 436 K HN 0.295 nan 8.250 nan 0.000 0.458 437 V N 0.808 120.778 119.914 0.094 0.000 2.332 437 V HA -0.237 3.883 4.120 0.000 0.000 0.248 437 V C 1.086 177.061 176.094 -0.198 0.000 1.055 437 V CA 1.820 64.076 62.300 -0.073 0.000 1.038 437 V CB -0.512 31.198 31.823 -0.189 0.000 0.651 437 V HN 0.349 nan 8.190 nan 0.000 0.450 438 H N -1.468 117.652 119.070 0.083 0.000 2.520 438 H HA 0.334 4.890 4.556 0.000 0.000 0.284 438 H C 0.920 176.204 175.328 -0.074 0.000 1.037 438 H CA -0.099 55.949 56.048 -0.000 0.000 1.168 438 H CB 0.282 30.029 29.762 -0.024 0.000 1.497 438 H HN 0.297 nan 8.280 nan 0.000 0.547 439 S N -0.014 115.702 115.700 0.027 0.000 2.693 439 S HA 0.259 4.729 4.470 0.000 0.000 0.276 439 S C -0.138 174.294 174.600 -0.280 0.000 1.192 439 S CA -0.729 57.400 58.200 -0.119 0.000 0.994 439 S CB 0.763 63.899 63.200 -0.107 0.000 1.012 439 S HN 0.098 nan 8.310 nan 0.000 0.550 440 F N 1.346 121.178 119.950 -0.196 0.000 2.429 440 F HA 0.314 4.841 4.527 0.000 0.000 0.348 440 F C 0.794 176.334 175.800 -0.434 0.000 1.109 440 F CA 0.508 58.416 58.000 -0.154 0.000 1.232 440 F CB 0.457 39.413 39.000 -0.073 0.000 1.157 440 F HN 0.516 nan 8.300 nan 0.000 0.564 441 H N 0.051 119.282 119.070 0.268 0.000 2.851 441 H HA 0.294 4.850 4.556 0.000 0.000 0.372 441 H C -1.267 174.044 175.328 -0.028 0.000 1.158 441 H CA -1.020 55.035 56.048 0.011 0.000 1.159 441 H CB 1.404 31.040 29.762 -0.210 0.000 1.757 441 H HN 0.389 nan 8.280 nan 0.000 0.546 442 D N 2.376 122.771 120.400 -0.008 0.000 2.396 442 D HA 0.078 4.718 4.640 0.000 0.000 0.225 442 D C -0.648 175.605 176.300 -0.078 0.000 1.121 442 D CA -0.053 53.959 54.000 0.019 0.000 0.853 442 D CB 0.710 41.520 40.800 0.017 0.000 1.043 442 D HN 0.399 nan 8.370 nan 0.000 0.500 443 Y N 1.412 121.816 120.300 0.174 0.000 2.425 443 Y HA 0.183 4.733 4.550 0.000 0.000 0.347 443 Y C 0.885 176.904 175.900 0.198 0.000 0.976 443 Y CA -0.496 57.715 58.100 0.185 0.000 1.190 443 Y CB 0.976 39.547 38.460 0.184 0.000 1.136 443 Y HN 0.256 nan 8.280 nan 0.000 0.517 444 E N 4.663 125.055 120.200 0.319 0.000 2.176 444 E HA 0.523 4.873 4.350 0.000 0.000 0.267 444 E C -1.685 175.142 176.600 0.378 0.000 0.893 444 E CA -0.627 55.949 56.400 0.293 0.000 0.761 444 E CB 0.938 30.743 29.700 0.175 0.000 1.133 444 E HN 0.654 nan 8.360 nan 0.000 0.409 445 L N 4.127 125.555 121.223 0.342 0.000 2.296 445 L HA 0.399 4.739 4.340 0.000 0.000 0.286 445 L C -0.264 176.697 176.870 0.151 0.000 1.023 445 L CA -0.602 54.421 54.840 0.305 0.000 0.812 445 L CB 1.659 43.941 42.059 0.371 0.000 1.223 445 L HN 0.538 nan 8.230 nan 0.000 0.421 446 Q N 2.908 122.746 119.800 0.064 0.000 2.363 446 Q HA 0.279 4.620 4.340 0.000 0.000 0.265 446 Q C -1.470 174.321 176.000 -0.348 0.000 1.032 446 Q CA -0.648 55.107 55.803 -0.080 0.000 0.746 446 Q CB 2.406 31.214 28.738 0.116 0.000 1.237 446 Q HN 0.436 nan 8.270 nan 0.000 0.475 447 Y N 1.697 121.455 120.300 -0.904 0.000 2.316 447 Y HA 0.326 4.876 4.550 0.000 0.000 0.331 447 Y C -0.462 175.066 175.900 -0.621 0.000 1.083 447 Y CA -0.344 57.100 58.100 -1.093 0.000 1.206 447 Y CB 1.430 38.578 38.460 -2.187 0.000 1.195 447 Y HN 0.426 nan 8.280 nan 0.000 0.497 448 S N 5.483 120.466 115.700 -1.195 0.000 2.498 448 S HA 0.592 5.062 4.470 0.000 0.000 0.324 448 S C 0.652 174.519 174.600 -1.221 0.000 1.071 448 S CA -0.146 57.514 58.200 -0.901 0.000 1.113 448 S CB 0.532 63.434 63.200 -0.496 0.000 0.976 448 S HN 1.024 nan 8.310 nan 0.000 0.462 449 A N 5.382 127.636 122.820 -0.943 0.000 1.877 449 A HA 0.031 4.351 4.320 0.000 0.000 0.216 449 A C 1.890 179.107 177.584 -0.612 0.000 1.186 449 A CA 1.252 52.936 52.037 -0.588 0.000 0.620 449 A CB -0.734 18.174 19.000 -0.152 0.000 0.822 449 A HN 0.847 nan 8.150 nan 0.000 0.443 450 L N -0.383 120.563 121.223 -0.462 0.000 2.275 450 L HA -0.114 4.226 4.340 0.000 0.000 0.215 450 L C 1.460 178.063 176.870 -0.444 0.000 1.119 450 L CA 0.844 55.443 54.840 -0.401 0.000 0.790 450 L CB -0.452 41.474 42.059 -0.221 0.000 0.919 450 L HN 0.408 nan 8.230 nan 0.000 0.443 451 N N -1.833 116.605 118.700 -0.437 0.000 2.254 451 N HA -0.012 4.729 4.740 0.000 0.000 0.190 451 N C 0.003 175.419 175.510 -0.156 0.000 1.107 451 N CA 0.070 52.970 53.050 -0.251 0.000 0.869 451 N CB 0.259 38.630 38.487 -0.193 0.000 0.983 451 N HN 0.247 nan 8.380 nan 0.000 0.487 452 H N -0.165 118.812 119.070 -0.155 0.000 2.741 452 H HA -0.154 4.403 4.556 0.000 0.000 0.305 452 H C -0.038 175.323 175.328 0.054 0.000 1.169 452 H CA 1.199 57.251 56.048 0.006 0.000 1.144 452 H CB -1.816 27.987 29.762 0.069 0.000 1.397 452 H HN 0.150 nan 8.280 nan 0.000 0.409 453 T N -0.407 114.114 114.554 -0.055 0.000 2.864 453 T HA 0.512 4.862 4.350 0.000 0.000 0.299 453 T C -0.391 174.183 174.700 -0.210 0.000 1.166 453 T CA -0.206 61.880 62.100 -0.023 0.000 1.007 453 T CB 2.339 71.198 68.868 -0.015 0.000 1.219 453 T HN 0.175 nan 8.240 nan 0.000 0.506 454 T N 2.696 117.082 114.554 -0.281 0.000 2.824 454 T HA 0.591 4.941 4.350 0.000 0.000 0.282 454 T C -0.652 173.958 174.700 -0.151 0.000 0.993 454 T CA -0.437 61.379 62.100 -0.474 0.000 0.967 454 T CB 1.508 69.684 68.868 -1.155 0.000 0.960 454 T HN 0.629 nan 8.240 nan 0.000 0.441 455 T N 3.418 117.936 114.554 -0.060 0.000 2.829 455 T HA 0.543 4.893 4.350 0.000 0.000 0.282 455 T C -0.609 174.162 174.700 0.117 0.000 0.990 455 T CA -0.591 61.519 62.100 0.017 0.000 1.028 455 T CB 0.973 69.773 68.868 -0.113 0.000 0.951 455 T HN 0.337 nan 8.240 nan 0.000 0.460 456 L N 4.090 125.373 121.223 0.099 0.000 2.282 456 L HA 0.692 5.032 4.340 0.000 0.000 0.288 456 L C -1.652 175.158 176.870 -0.101 0.000 1.033 456 L CA -0.395 54.548 54.840 0.171 0.000 0.807 456 L CB 0.039 42.219 42.059 0.201 0.000 1.209 456 L HN 0.481 nan 8.230 nan 0.000 0.423 457 F N 4.376 124.388 119.950 0.103 0.000 2.495 457 F HA 0.660 5.187 4.527 0.000 0.000 0.327 457 F C -0.221 175.582 175.800 0.005 0.000 1.103 457 F CA -0.780 57.245 58.000 0.041 0.000 0.949 457 F CB 2.146 41.163 39.000 0.028 0.000 1.142 457 F HN 0.108 nan 8.300 nan 0.000 0.457 458 V N 2.588 122.563 119.914 0.101 0.000 2.444 458 V HA 0.282 4.402 4.120 0.000 0.000 0.294 458 V C -0.752 175.327 176.094 -0.024 0.000 1.022 458 V CA -1.091 61.159 62.300 -0.084 0.000 0.850 458 V CB 1.374 33.071 31.823 -0.210 0.000 0.992 458 V HN 0.812 nan 8.190 nan 0.000 0.426 459 D N 4.311 124.697 120.400 -0.024 0.000 2.708 459 D HA -0.198 4.442 4.640 0.000 0.000 0.236 459 D C 1.342 177.666 176.300 0.039 0.000 1.146 459 D CA 1.751 55.761 54.000 0.018 0.000 0.662 459 D CB -1.103 39.727 40.800 0.049 0.000 1.059 459 D HN 1.428 nan 8.370 nan 0.000 0.428 460 G N -1.160 107.681 108.800 0.068 0.000 2.179 460 G HA2 -0.338 3.622 3.960 0.000 0.000 0.260 460 G HA3 -0.338 3.622 3.960 0.000 0.000 0.260 460 G C 0.131 175.141 174.900 0.182 0.000 0.977 460 G CA 0.359 45.505 45.100 0.076 0.000 0.641 460 G HN 0.401 nan 8.290 nan 0.000 0.533 461 Q N 0.348 120.254 119.800 0.177 0.000 2.257 461 Q HA 0.412 4.752 4.340 0.000 0.000 0.255 461 Q C 0.205 176.288 176.000 0.138 0.000 0.920 461 Q CA -0.424 55.467 55.803 0.147 0.000 0.927 461 Q CB 1.544 30.312 28.738 0.049 0.000 1.229 461 Q HN 0.623 nan 8.270 nan 0.000 0.433 462 Q N 2.976 122.801 119.800 0.042 0.000 2.286 462 Q HA 0.066 4.407 4.340 0.000 0.000 0.267 462 Q C 0.208 176.069 176.000 -0.232 0.000 1.028 462 Q CA 0.047 55.632 55.803 -0.362 0.000 0.901 462 Q CB 0.539 29.093 28.738 -0.307 0.000 1.183 462 Q HN 0.566 nan 8.270 nan 0.000 0.392 463 I N 1.990 122.402 120.570 -0.262 0.000 3.136 463 I HA 0.162 4.332 4.170 0.000 0.000 0.262 463 I C 1.032 177.075 176.117 -0.124 0.000 1.132 463 I CA 0.735 61.950 61.300 -0.142 0.000 1.450 463 I CB 0.055 37.998 38.000 -0.096 0.000 1.315 463 I HN 0.669 nan 8.210 nan 0.000 0.460 464 T N -0.193 114.286 114.554 -0.126 0.000 2.749 464 T HA 0.441 4.791 4.350 0.000 0.000 0.310 464 T C -1.369 173.353 174.700 0.036 0.000 1.496 464 T CA -0.244 61.824 62.100 -0.053 0.000 1.006 464 T CB 1.713 70.548 68.868 -0.056 0.000 1.457 464 T HN 0.016 nan 8.240 nan 0.000 0.497 465 T N 2.517 117.143 114.554 0.120 0.000 2.861 465 T HA 0.738 5.088 4.350 0.000 0.000 0.287 465 T C -1.315 173.625 174.700 0.400 0.000 1.003 465 T CA -0.613 61.622 62.100 0.225 0.000 0.977 465 T CB 0.765 69.682 68.868 0.082 0.000 0.996 465 T HN 0.738 nan 8.240 nan 0.000 0.448 466 W N 0.712 122.059 121.300 0.078 0.000 3.042 466 W HA 0.723 5.383 4.660 0.000 0.000 0.342 466 W C -0.156 176.513 176.519 0.250 0.000 1.240 466 W CA -1.146 56.281 57.345 0.137 0.000 1.166 466 W CB 0.959 30.500 29.460 0.135 0.000 1.469 466 W HN 0.593 nan 8.180 nan 0.000 0.579 467 A N 1.646 124.584 122.820 0.196 0.000 2.267 467 A HA 0.558 4.878 4.320 0.000 0.000 0.213 467 A C 1.354 178.868 177.584 -0.116 0.000 1.192 467 A CA 1.103 53.195 52.037 0.092 0.000 0.851 467 A CB -1.103 17.966 19.000 0.115 0.000 0.881 467 A HN 2.163 nan 8.150 nan 0.000 0.494 468 G N -0.208 108.418 108.800 -0.291 0.000 2.552 468 G HA2 -0.214 3.746 3.960 0.000 0.000 0.265 468 G HA3 -0.214 3.746 3.960 0.000 0.000 0.265 468 G C -0.356 174.452 174.900 -0.153 0.000 1.234 468 G CA 0.261 45.125 45.100 -0.394 0.000 0.944 468 G HN 0.640 nan 8.290 nan 0.000 0.568 469 E N -1.524 118.533 120.200 -0.238 0.000 2.356 469 E HA 0.497 4.847 4.350 0.000 0.000 0.275 469 E C -0.300 176.218 176.600 -0.136 0.000 0.904 469 E CA -1.023 55.312 56.400 -0.109 0.000 0.757 469 E CB 2.640 32.318 29.700 -0.037 0.000 1.232 469 E HN 0.511 nan 8.360 nan 0.000 0.442 470 V N 1.959 121.826 119.914 -0.077 0.000 2.694 470 V HA 0.140 4.260 4.120 0.000 0.000 0.306 470 V C 0.199 176.256 176.094 -0.061 0.000 1.054 470 V CA 0.789 63.051 62.300 -0.064 0.000 1.161 470 V CB 0.855 32.658 31.823 -0.035 0.000 0.916 470 V HN 0.642 nan 8.190 nan 0.000 0.490 471 S N 2.653 118.317 115.700 -0.060 0.000 2.552 471 S HA 0.371 4.841 4.470 0.000 0.000 0.272 471 S C -0.165 174.411 174.600 -0.040 0.000 1.150 471 S CA -0.688 57.482 58.200 -0.050 0.000 0.849 471 S CB 2.075 65.237 63.200 -0.063 0.000 1.113 471 S HN 0.656 nan 8.310 nan 0.000 0.458 472 Q N 1.240 121.021 119.800 -0.032 0.000 2.319 472 Q HA 0.255 4.595 4.340 0.000 0.000 0.209 472 Q C -0.249 175.730 176.000 -0.035 0.000 0.884 472 Q CA 0.281 56.067 55.803 -0.028 0.000 0.938 472 Q CB 0.309 29.034 28.738 -0.022 0.000 1.098 472 Q HN 0.700 nan 8.270 nan 0.000 0.517 473 E N 1.409 121.585 120.200 -0.039 0.000 2.390 473 E HA 0.156 4.506 4.350 0.000 0.000 0.261 473 E C -0.405 176.158 176.600 -0.062 0.000 1.076 473 E CA 0.030 56.403 56.400 -0.044 0.000 0.905 473 E CB 0.460 30.138 29.700 -0.037 0.000 0.984 473 E HN 0.016 nan 8.360 nan 0.000 0.427 474 N N 2.292 120.948 118.700 -0.074 0.000 2.577 474 N HA 0.139 4.879 4.740 0.000 0.000 0.275 474 N C -1.606 173.832 175.510 -0.119 0.000 1.091 474 N CA -0.295 52.691 53.050 -0.107 0.000 0.843 474 N CB 0.331 38.761 38.487 -0.096 0.000 1.295 474 N HN 0.630 nan 8.380 nan 0.000 0.530 475 N N 2.557 121.175 118.700 -0.136 0.000 3.356 475 N HA 0.300 5.041 4.740 0.000 0.000 0.246 475 N C -1.816 173.627 175.510 -0.112 0.000 1.480 475 N CA -0.700 52.274 53.050 -0.128 0.000 0.877 475 N CB 1.452 39.892 38.487 -0.080 0.000 1.431 475 N HN 0.232 nan 8.380 nan 0.000 0.500 476 I N -0.024 120.508 120.570 -0.063 0.000 2.533 476 I HA 0.360 4.530 4.170 0.000 0.000 0.290 476 I C -1.465 174.793 176.117 0.235 0.000 1.056 476 I CA -0.276 61.062 61.300 0.063 0.000 1.057 476 I CB 2.067 40.103 38.000 0.061 0.000 1.240 476 I HN 0.685 nan 8.210 nan 0.000 0.423 477 Q N 7.061 127.057 119.800 0.327 0.000 2.379 477 Q HA 0.581 4.921 4.340 0.000 0.000 0.278 477 Q C -2.090 174.184 176.000 0.457 0.000 1.068 477 Q CA -0.687 55.347 55.803 0.385 0.000 0.816 477 Q CB 2.667 31.519 28.738 0.190 0.000 1.387 477 Q HN 0.631 nan 8.270 nan 0.000 0.413 478 F N -0.004 120.099 119.950 0.254 0.000 2.668 478 F HA 0.931 5.458 4.527 0.000 0.000 0.309 478 F C -0.307 175.607 175.800 0.189 0.000 1.117 478 F CA 0.073 58.190 58.000 0.195 0.000 0.951 478 F CB 1.381 40.497 39.000 0.194 0.000 1.323 478 F HN 0.817 nan 8.300 nan 0.000 0.451 479 G N 1.789 110.713 108.800 0.207 0.000 2.302 479 G HA2 0.140 4.100 3.960 0.000 0.000 0.276 479 G HA3 0.140 4.100 3.960 0.000 0.000 0.276 479 G C -2.334 172.613 174.900 0.079 0.000 1.316 479 G CA -0.874 44.281 45.100 0.092 0.000 0.988 479 G HN 1.067 nan 8.290 nan 0.000 0.479 480 N N 0.317 119.033 118.700 0.026 0.000 2.437 480 N HA 0.627 5.367 4.740 0.000 0.000 0.259 480 N C 0.769 176.283 175.510 0.006 0.000 0.983 480 N CA 0.581 53.647 53.050 0.027 0.000 0.937 480 N CB 1.620 40.117 38.487 0.017 0.000 1.122 480 N HN 1.093 nan 8.380 nan 0.000 0.499 481 A N 2.666 125.499 122.820 0.022 0.000 2.308 481 A HA 0.143 4.463 4.320 0.000 0.000 0.217 481 A C 0.069 177.661 177.584 0.013 0.000 1.216 481 A CA 0.111 52.154 52.037 0.010 0.000 0.864 481 A CB 0.033 19.047 19.000 0.024 0.000 0.902 481 A HN 0.662 nan 8.150 nan 0.000 0.499 482 D N -1.031 119.385 120.400 0.027 0.000 2.788 482 D HA 0.544 5.184 4.640 0.000 0.000 0.247 482 D C 0.750 177.076 176.300 0.043 0.000 1.236 482 D CA 0.302 54.321 54.000 0.032 0.000 0.898 482 D CB 1.972 42.797 40.800 0.042 0.000 1.401 482 D HN -0.015 nan 8.370 nan 0.000 0.549 483 A N 3.376 126.214 122.820 0.030 0.000 2.067 483 A HA -0.135 4.185 4.320 0.000 0.000 0.219 483 A C 1.490 179.115 177.584 0.068 0.000 1.158 483 A CA 1.242 53.302 52.037 0.039 0.000 0.661 483 A CB -0.068 18.938 19.000 0.011 0.000 0.801 483 A HN 0.644 nan 8.150 nan 0.000 0.452 484 Q N -0.989 118.848 119.800 0.062 0.000 2.360 484 Q HA 0.343 4.683 4.340 0.000 0.000 0.202 484 Q C -0.729 175.323 176.000 0.087 0.000 0.915 484 Q CA 0.145 55.990 55.803 0.070 0.000 0.943 484 Q CB 0.408 29.176 28.738 0.049 0.000 1.064 484 Q HN 0.612 nan 8.270 nan 0.000 0.511 485 I N 1.759 122.388 120.570 0.098 0.000 2.476 485 I HA 0.194 4.364 4.170 0.000 0.000 0.281 485 I C -0.959 175.249 176.117 0.152 0.000 1.040 485 I CA -0.859 60.506 61.300 0.108 0.000 1.094 485 I CB 1.551 39.600 38.000 0.082 0.000 1.219 485 I HN -0.116 nan 8.210 nan 0.000 0.450 486 D N 5.264 125.782 120.400 0.198 0.000 2.455 486 D HA 0.456 5.096 4.640 0.000 0.000 0.241 486 D C 0.352 176.823 176.300 0.285 0.000 1.138 486 D CA 0.597 54.774 54.000 0.295 0.000 0.877 486 D CB 1.665 42.641 40.800 0.292 0.000 1.187 486 D HN 0.757 nan 8.370 nan 0.000 0.451 487 G N 0.880 109.894 108.800 0.357 0.000 2.655 487 G HA2 0.489 4.449 3.960 0.000 0.000 0.296 487 G HA3 0.489 4.449 3.960 0.000 0.000 0.296 487 G C -1.384 173.584 174.900 0.113 0.000 1.485 487 G CA -0.941 44.308 45.100 0.249 0.000 0.869 487 G HN 0.400 nan 8.290 nan 0.000 0.540 488 R N 0.972 121.523 120.500 0.086 0.000 2.538 488 R HA 0.708 5.048 4.340 0.000 0.000 0.292 488 R C -0.982 175.288 176.300 -0.050 0.000 1.008 488 R CA -0.798 55.230 56.100 -0.120 0.000 0.896 488 R CB 1.401 31.539 30.300 -0.270 0.000 1.187 488 R HN 0.771 nan 8.270 nan 0.000 0.440 489 L N 0.372 121.596 121.223 0.002 0.000 2.388 489 L HA 0.709 5.049 4.340 0.000 0.000 0.264 489 L C -1.385 175.643 176.870 0.264 0.000 0.998 489 L CA -1.115 53.760 54.840 0.059 0.000 0.817 489 L CB 2.278 44.401 42.059 0.107 0.000 1.338 489 L HN 0.569 nan 8.230 nan 0.000 0.414 490 H N 1.686 120.775 119.070 0.032 0.000 2.495 490 H HA 0.749 5.305 4.556 0.000 0.000 0.348 490 H C -0.784 174.731 175.328 0.313 0.000 1.113 490 H CA -0.902 55.214 56.048 0.113 0.000 1.195 490 H CB 2.406 32.228 29.762 0.100 0.000 1.521 490 H HN 0.518 nan 8.280 nan 0.000 0.509 491 V N 3.293 123.458 119.914 0.417 0.000 2.604 491 V HA 0.226 4.346 4.120 0.000 0.000 0.305 491 V C 0.592 176.798 176.094 0.186 0.000 1.043 491 V CA -0.555 61.936 62.300 0.319 0.000 0.888 491 V CB 2.147 34.071 31.823 0.168 0.000 0.995 491 V HN 0.797 nan 8.190 nan 0.000 0.429 492 Q N 2.008 121.827 119.800 0.033 0.000 2.353 492 Q HA 0.338 4.678 4.340 0.000 0.000 0.240 492 Q C 0.306 176.200 176.000 -0.176 0.000 0.868 492 Q CA 0.278 56.005 55.803 -0.126 0.000 0.944 492 Q CB 1.321 29.832 28.738 -0.378 0.000 1.104 492 Q HN 0.645 nan 8.270 nan 0.000 0.531 493 K N 0.533 120.841 120.400 -0.153 0.000 2.572 493 K HA 0.452 4.772 4.320 0.000 0.000 0.263 493 K C -2.019 174.544 176.600 -0.061 0.000 0.932 493 K CA -0.324 55.873 56.287 -0.150 0.000 0.838 493 K CB 1.653 34.094 32.500 -0.099 0.000 1.366 493 K HN -0.060 nan 8.250 nan 0.000 0.425 494 I N 3.447 124.019 120.570 0.004 0.000 2.534 494 I HA 0.448 4.618 4.170 0.000 0.000 0.288 494 I C -1.155 175.065 176.117 0.172 0.000 1.077 494 I CA -1.047 60.312 61.300 0.099 0.000 1.051 494 I CB 2.211 40.269 38.000 0.096 0.000 1.234 494 I HN 0.224 nan 8.210 nan 0.000 0.425 495 V N 6.163 126.167 119.914 0.149 0.000 2.932 495 V HA 0.517 4.637 4.120 0.000 0.000 0.307 495 V C -1.174 174.991 176.094 0.118 0.000 1.147 495 V CA -0.652 61.722 62.300 0.123 0.000 0.951 495 V CB 2.747 34.614 31.823 0.074 0.000 1.031 495 V HN 0.477 nan 8.190 nan 0.000 0.426 496 L N 3.398 124.665 121.223 0.074 0.000 2.385 496 L HA 0.927 5.267 4.340 0.000 0.000 0.273 496 L C -0.349 176.532 176.870 0.018 0.000 0.990 496 L CA 0.493 55.365 54.840 0.053 0.000 0.821 496 L CB 2.303 44.352 42.059 -0.018 0.000 1.279 496 L HN 0.819 nan 8.230 nan 0.000 0.412 497 T N 4.065 118.666 114.554 0.079 0.000 2.900 497 T HA 0.659 5.009 4.350 0.000 0.000 0.295 497 T C -1.454 173.332 174.700 0.143 0.000 1.044 497 T CA -0.554 61.583 62.100 0.062 0.000 0.995 497 T CB 1.877 70.781 68.868 0.061 0.000 1.072 497 T HN 0.648 nan 8.240 nan 0.000 0.473 498 Q N 1.227 121.101 119.800 0.122 0.000 2.327 498 Q HA 0.275 4.615 4.340 0.000 0.000 0.265 498 Q C -1.113 174.975 176.000 0.147 0.000 0.993 498 Q CA -0.600 55.306 55.803 0.172 0.000 0.885 498 Q CB 0.963 29.814 28.738 0.187 0.000 1.379 498 Q HN 0.516 nan 8.270 nan 0.000 0.408 499 Q N 1.491 121.366 119.800 0.125 0.000 2.494 499 Q HA -0.237 4.103 4.340 0.000 0.000 0.272 499 Q C 0.498 176.558 176.000 0.100 0.000 1.145 499 Q CA 1.499 57.361 55.803 0.099 0.000 0.943 499 Q CB -2.073 26.723 28.738 0.097 0.000 1.338 499 Q HN 1.388 nan 8.270 nan 0.000 0.492 500 G N -0.079 108.777 108.800 0.094 0.000 2.155 500 G HA2 -0.360 3.600 3.960 0.000 0.000 0.257 500 G HA3 -0.360 3.600 3.960 0.000 0.000 0.257 500 G C -0.222 174.757 174.900 0.131 0.000 0.983 500 G CA 0.878 46.029 45.100 0.084 0.000 0.676 500 G HN 0.751 nan 8.290 nan 0.000 0.528 501 H N 0.365 119.454 119.070 0.032 0.000 2.489 501 H HA 0.558 5.114 4.556 0.000 0.000 0.343 501 H C 0.131 175.477 175.328 0.031 0.000 1.086 501 H CA -0.856 55.207 56.048 0.025 0.000 1.198 501 H CB 0.459 30.232 29.762 0.019 0.000 1.490 501 H HN 0.228 nan 8.280 nan 0.000 0.504 502 N N 5.819 124.250 118.700 -0.449 0.000 2.405 502 N HA 0.062 4.802 4.740 0.000 0.000 0.260 502 N C 0.922 176.047 175.510 -0.641 0.000 1.152 502 N CA -0.195 52.628 53.050 -0.379 0.000 0.948 502 N CB 1.096 39.478 38.487 -0.175 0.000 1.111 502 N HN 0.551 nan 8.380 nan 0.000 0.485 503 L N 2.322 123.318 121.223 -0.378 0.000 2.131 503 L HA 0.030 4.370 4.340 0.000 0.000 0.206 503 L C 0.643 177.417 176.870 -0.160 0.000 1.087 503 L CA 0.543 55.227 54.840 -0.259 0.000 0.767 503 L CB -0.023 41.950 42.059 -0.142 0.000 0.917 503 L HN 0.413 nan 8.230 nan 0.000 0.441 504 V N -3.227 116.626 119.914 -0.103 0.000 2.808 504 V HA 0.547 4.668 4.120 0.000 0.000 0.308 504 V C -1.176 174.966 176.094 0.079 0.000 1.099 504 V CA -0.655 61.632 62.300 -0.022 0.000 0.920 504 V CB 2.236 34.029 31.823 -0.049 0.000 1.014 504 V HN 0.093 nan 8.190 nan 0.000 0.425 505 E N 4.159 124.453 120.200 0.157 0.000 2.281 505 E HA 0.501 4.851 4.350 0.000 0.000 0.266 505 E C -2.126 174.672 176.600 0.329 0.000 0.893 505 E CA -0.376 56.133 56.400 0.181 0.000 0.798 505 E CB 2.745 32.497 29.700 0.086 0.000 1.245 505 E HN 0.746 nan 8.360 nan 0.000 0.410 506 F N 3.551 123.581 119.950 0.133 0.000 2.610 506 F HA 0.270 4.797 4.527 0.000 0.000 0.355 506 F C -1.130 174.693 175.800 0.038 0.000 1.140 506 F CA -1.216 56.839 58.000 0.092 0.000 1.037 506 F CB 0.958 39.981 39.000 0.039 0.000 1.287 506 F HN 0.231 nan 8.300 nan 0.000 0.457 507 D N 4.839 125.101 120.400 -0.230 0.000 2.485 507 D HA 0.395 5.035 4.640 0.000 0.000 0.221 507 D C 0.910 176.989 176.300 -0.367 0.000 1.112 507 D CA 0.255 54.113 54.000 -0.236 0.000 0.911 507 D CB 1.467 42.253 40.800 -0.024 0.000 1.019 507 D HN 0.639 nan 8.370 nan 0.000 0.516 508 A N 3.581 125.997 122.820 -0.673 0.000 1.969 508 A HA -0.145 4.175 4.320 0.000 0.000 0.218 508 A C 1.807 179.371 177.584 -0.033 0.000 1.169 508 A CA 0.565 52.366 52.037 -0.393 0.000 0.635 508 A CB -0.621 18.163 19.000 -0.359 0.000 0.810 508 A HN 0.596 nan 8.150 nan 0.000 0.445 509 F N -0.610 119.249 119.950 -0.152 0.000 2.095 509 F HA -0.215 4.312 4.527 0.000 0.000 0.298 509 F C 2.087 177.862 175.800 -0.041 0.000 1.104 509 F CA 1.992 59.935 58.000 -0.095 0.000 1.232 509 F CB -0.557 38.366 39.000 -0.128 0.000 0.987 509 F HN 0.389 nan 8.300 nan 0.000 0.475 510 Y N 0.550 120.772 120.300 -0.130 0.000 2.153 510 Y HA -0.138 4.413 4.550 0.000 0.000 0.289 510 Y C 2.111 177.875 175.900 -0.226 0.000 1.127 510 Y CA 1.941 59.924 58.100 -0.195 0.000 1.131 510 Y CB -0.697 37.721 38.460 -0.069 0.000 0.995 510 Y HN 0.080 nan 8.280 nan 0.000 0.505 511 L N 0.051 121.136 121.223 -0.231 0.000 2.042 511 L HA -0.255 4.085 4.340 0.000 0.000 0.210 511 L C 2.772 179.325 176.870 -0.528 0.000 1.076 511 L CA 1.260 55.861 54.840 -0.397 0.000 0.749 511 L CB -1.063 40.830 42.059 -0.277 0.000 0.893 511 L HN 0.370 nan 8.230 nan 0.000 0.432 512 A N -0.467 122.128 122.820 -0.376 0.000 1.978 512 A HA -0.238 4.082 4.320 0.000 0.000 0.220 512 A C 2.118 179.592 177.584 -0.184 0.000 1.170 512 A CA 1.532 53.435 52.037 -0.222 0.000 0.636 512 A CB -0.387 18.621 19.000 0.014 0.000 0.810 512 A HN 0.558 nan 8.150 nan 0.000 0.448 513 Q N -0.491 119.125 119.800 -0.306 0.000 2.403 513 Q HA 0.046 4.386 4.340 0.000 0.000 0.203 513 Q C -0.031 175.850 176.000 -0.198 0.000 0.932 513 Q CA 0.031 55.690 55.803 -0.240 0.000 0.945 513 Q CB 0.177 28.698 28.738 -0.361 0.000 1.045 513 Q HN 0.591 nan 8.270 nan 0.000 0.511 514 Q N 1.073 120.680 119.800 -0.321 0.000 2.260 514 Q HA 0.165 4.505 4.340 0.000 0.000 0.238 514 Q C 0.366 176.136 176.000 -0.382 0.000 0.948 514 Q CA 0.017 55.606 55.803 -0.355 0.000 0.895 514 Q CB 0.880 29.339 28.738 -0.466 0.000 1.218 514 Q HN 0.171 nan 8.270 nan 0.000 0.470 515 T N -2.437 111.798 114.554 -0.532 0.000 2.788 515 T HA 0.222 4.572 4.350 0.000 0.000 0.287 515 T C -1.819 172.380 174.700 -0.834 0.000 1.007 515 T CA -1.548 59.949 62.100 -1.005 0.000 1.005 515 T CB 0.370 68.831 68.868 -0.678 0.000 1.012 515 T HN 0.232 nan 8.240 nan 0.000 0.530 516 P HA -0.018 nan 4.420 nan 0.000 0.229 516 P C 1.122 178.233 177.300 -0.315 0.000 1.150 516 P CA 0.654 63.433 63.100 -0.535 0.000 0.765 516 P CB 0.022 31.459 31.700 -0.438 0.000 0.783 517 E N -0.346 119.669 120.200 -0.308 0.000 2.347 517 E HA -0.039 4.311 4.350 0.000 0.000 0.196 517 E C -0.032 176.475 176.600 -0.154 0.000 1.008 517 E CA 0.351 56.636 56.400 -0.192 0.000 0.852 517 E CB 0.174 29.771 29.700 -0.172 0.000 0.783 517 E HN 0.026 nan 8.360 nan 0.000 0.505 518 V N 1.811 121.610 119.914 -0.191 0.000 2.472 518 V HA 0.116 4.236 4.120 0.000 0.000 0.290 518 V C -0.141 175.881 176.094 -0.121 0.000 1.037 518 V CA -0.691 61.528 62.300 -0.135 0.000 0.908 518 V CB 1.542 33.273 31.823 -0.152 0.000 0.985 518 V HN 0.087 nan 8.190 nan 0.000 0.454 519 E N 3.528 123.693 120.200 -0.059 0.000 2.324 519 E HA 0.175 4.525 4.350 0.000 0.000 0.271 519 E C 0.321 176.904 176.600 -0.028 0.000 1.028 519 E CA 0.470 56.851 56.400 -0.031 0.000 0.890 519 E CB 0.662 30.365 29.700 0.006 0.000 1.004 519 E HN 0.603 nan 8.360 nan 0.000 0.431 520 K N 2.755 123.137 120.400 -0.031 0.000 2.481 520 K HA 0.115 4.435 4.320 0.000 0.000 0.210 520 K C -0.463 176.219 176.600 0.137 0.000 1.161 520 K CA -0.180 56.095 56.287 -0.021 0.000 1.023 520 K CB 0.559 32.895 32.500 -0.272 0.000 0.971 520 K HN 0.449 nan 8.250 nan 0.000 0.577 521 D N 1.617 122.068 120.400 0.086 0.000 2.382 521 D HA 0.041 4.681 4.640 0.000 0.000 0.259 521 D C 1.052 177.344 176.300 -0.014 0.000 1.224 521 D CA 0.005 54.043 54.000 0.064 0.000 0.894 521 D CB 0.656 41.497 40.800 0.068 0.000 1.127 521 D HN -0.013 nan 8.370 nan 0.000 0.487 522 L N 3.115 124.225 121.223 -0.188 0.000 2.081 522 L HA -0.192 4.148 4.340 0.000 0.000 0.212 522 L C 2.037 178.926 176.870 0.030 0.000 1.080 522 L CA 1.327 55.970 54.840 -0.328 0.000 0.754 522 L CB -0.310 41.204 42.059 -0.909 0.000 0.893 522 L HN 0.607 nan 8.230 nan 0.000 0.433 523 E N -0.235 120.018 120.200 0.088 0.000 2.204 523 E HA -0.191 4.159 4.350 0.000 0.000 0.194 523 E C 1.901 178.564 176.600 0.105 0.000 0.989 523 E CA 0.783 57.267 56.400 0.140 0.000 0.824 523 E CB 0.070 29.844 29.700 0.124 0.000 0.756 523 E HN 0.451 nan 8.360 nan 0.000 0.477 524 K N 0.210 120.659 120.400 0.082 0.000 2.400 524 K HA 0.088 4.408 4.320 0.000 0.000 0.194 524 K C 1.501 178.148 176.600 0.079 0.000 1.033 524 K CA 0.226 56.553 56.287 0.067 0.000 1.021 524 K CB 0.367 32.898 32.500 0.052 0.000 0.808 524 K HN 0.109 nan 8.250 nan 0.000 0.505 525 L N -0.441 120.852 121.223 0.117 0.000 2.592 525 L HA 0.156 4.496 4.340 0.000 0.000 0.227 525 L C 0.985 177.955 176.870 0.166 0.000 1.127 525 L CA 0.232 55.165 54.840 0.155 0.000 0.884 525 L CB 0.443 42.617 42.059 0.192 0.000 1.065 525 L HN 0.373 nan 8.230 nan 0.000 0.457 526 G N -1.756 107.121 108.800 0.128 0.000 2.192 526 G HA2 -0.207 3.753 3.960 0.000 0.000 0.193 526 G HA3 -0.207 3.753 3.960 0.000 0.000 0.193 526 G C -0.429 174.428 174.900 -0.072 0.000 0.999 526 G CA -0.764 44.334 45.100 -0.003 0.000 0.659 526 G HN 0.160 nan 8.290 nan 0.000 0.503 527 W N 0.807 122.092 121.300 -0.026 0.000 2.516 527 W HA 0.702 5.362 4.660 0.000 0.000 0.343 527 W C 0.382 176.919 176.519 0.030 0.000 1.094 527 W CA -0.435 56.911 57.345 0.002 0.000 1.250 527 W CB 1.331 30.786 29.460 -0.009 0.000 1.308 527 W HN 0.004 nan 8.180 nan 0.000 0.588 528 T N 2.652 117.360 114.554 0.256 0.000 2.767 528 T HA 0.229 4.579 4.350 0.000 0.000 0.284 528 T C -0.459 174.278 174.700 0.062 0.000 0.973 528 T CA -0.787 61.384 62.100 0.119 0.000 0.996 528 T CB 0.678 69.568 68.868 0.036 0.000 0.927 528 T HN 0.200 nan 8.240 nan 0.000 0.456 529 K N 4.233 124.618 120.400 -0.025 0.000 2.248 529 K HA 0.464 4.784 4.320 0.000 0.000 0.281 529 K C -0.903 175.552 176.600 -0.241 0.000 1.054 529 K CA -0.498 55.614 56.287 -0.291 0.000 0.903 529 K CB 0.387 32.778 32.500 -0.182 0.000 1.077 529 K HN 0.560 nan 8.250 nan 0.000 0.474 530 I N 5.146 125.525 120.570 -0.318 0.000 2.390 530 I HA 0.270 4.440 4.170 0.000 0.000 0.283 530 I C -0.467 175.522 176.117 -0.213 0.000 1.016 530 I CA -0.588 60.593 61.300 -0.199 0.000 1.151 530 I CB 1.417 39.328 38.000 -0.149 0.000 1.293 530 I HN 0.507 nan 8.210 nan 0.000 0.458 531 K N 5.213 125.517 120.400 -0.159 0.000 2.422 531 K HA 0.759 5.079 4.320 0.000 0.000 0.251 531 K C -0.919 175.621 176.600 -0.099 0.000 0.933 531 K CA -0.354 55.850 56.287 -0.139 0.000 0.798 531 K CB 2.288 34.706 32.500 -0.137 0.000 1.238 531 K HN 0.646 nan 8.250 nan 0.000 0.428 532 T N -0.141 114.359 114.554 -0.091 0.000 2.903 532 T HA 0.728 5.078 4.350 0.000 0.000 0.299 532 T C 0.491 175.134 174.700 -0.094 0.000 1.093 532 T CA -0.001 62.052 62.100 -0.079 0.000 1.002 532 T CB 1.503 70.336 68.868 -0.058 0.000 1.127 532 T HN 0.986 nan 8.240 nan 0.000 0.488 533 G N 2.267 111.004 108.800 -0.106 0.000 2.552 533 G HA2 -0.190 3.770 3.960 0.000 0.000 0.265 533 G HA3 -0.190 3.770 3.960 0.000 0.000 0.265 533 G C -0.757 173.986 174.900 -0.261 0.000 1.234 533 G CA -0.275 44.732 45.100 -0.154 0.000 0.944 533 G HN 1.068 nan 8.290 nan 0.000 0.568 534 N N 1.553 120.002 118.700 -0.419 0.000 2.392 534 N HA 0.653 5.393 4.740 0.000 0.000 0.283 534 N C 0.193 175.475 175.510 -0.380 0.000 1.003 534 N CA 0.489 53.105 53.050 -0.724 0.000 0.892 534 N CB 1.751 39.091 38.487 -1.912 0.000 1.193 534 N HN 1.130 nan 8.380 nan 0.000 0.487 535 T N -1.527 112.909 114.554 -0.197 0.000 2.787 535 T HA 0.778 5.128 4.350 0.000 0.000 0.297 535 T C -0.645 174.101 174.700 0.076 0.000 1.221 535 T CA -0.930 61.171 62.100 0.001 0.000 1.006 535 T CB 1.754 70.597 68.868 -0.042 0.000 1.328 535 T HN 0.449 nan 8.240 nan 0.000 0.509 536 M N 0.409 120.048 119.600 0.064 0.000 2.365 536 M HA 0.742 5.222 4.480 0.000 0.000 0.287 536 M C -1.225 175.044 176.300 -0.051 0.000 1.154 536 M CA -0.808 54.542 55.300 0.084 0.000 0.941 536 M CB 2.395 35.122 32.600 0.212 0.000 1.704 536 M HN 0.878 nan 8.290 nan 0.000 0.479 537 S N 2.716 118.384 115.700 -0.054 0.000 2.569 537 S HA 0.998 5.468 4.470 0.000 0.000 0.280 537 S C -0.954 173.517 174.600 -0.215 0.000 1.111 537 S CA -0.782 57.270 58.200 -0.247 0.000 0.887 537 S CB 2.379 65.469 63.200 -0.184 0.000 1.095 537 S HN 1.298 nan 8.310 nan 0.000 0.476 538 L N -2.139 118.818 121.223 -0.443 0.000 2.940 538 L HA 0.690 5.030 4.340 0.000 0.000 0.270 538 L C -2.066 174.640 176.870 -0.274 0.000 1.030 538 L CA -1.276 53.431 54.840 -0.222 0.000 0.928 538 L CB 0.492 42.435 42.059 -0.193 0.000 1.506 538 L HN 0.681 nan 8.230 nan 0.000 0.405 539 Y N 0.915 121.234 120.300 0.033 0.000 2.334 539 Y HA 0.669 5.219 4.550 0.000 0.000 0.328 539 Y C 1.294 177.162 175.900 -0.054 0.000 1.130 539 Y CA 0.729 58.874 58.100 0.075 0.000 1.163 539 Y CB 1.626 40.168 38.460 0.137 0.000 1.207 539 Y HN 1.101 nan 8.280 nan 0.000 0.471 540 G N 3.207 112.081 108.800 0.124 0.000 3.157 540 G HA2 -0.313 3.647 3.960 0.000 0.000 0.950 540 G HA3 -0.313 3.647 3.960 0.000 0.000 0.950 540 G C -0.364 174.508 174.900 -0.047 0.000 1.490 540 G CA -0.615 44.499 45.100 0.022 0.000 1.078 540 G HN 0.676 nan 8.290 nan 0.000 0.551 541 N N 0.427 119.105 118.700 -0.035 0.000 2.497 541 N HA 0.386 5.126 4.740 0.000 0.000 0.271 541 N C 1.379 176.839 175.510 -0.083 0.000 1.142 541 N CA 0.361 53.381 53.050 -0.049 0.000 0.965 541 N CB 1.416 39.899 38.487 -0.007 0.000 1.077 541 N HN 0.817 nan 8.380 nan 0.000 0.462 542 A N 1.886 124.641 122.820 -0.109 0.000 1.933 542 A HA -0.037 4.283 4.320 0.000 0.000 0.218 542 A C 0.711 178.241 177.584 -0.089 0.000 1.175 542 A CA 1.503 53.454 52.037 -0.143 0.000 0.628 542 A CB -0.152 18.751 19.000 -0.162 0.000 0.814 542 A HN 0.759 nan 8.150 nan 0.000 0.444 543 S N -2.919 112.759 115.700 -0.036 0.000 2.611 543 S HA 0.513 4.983 4.470 0.000 0.000 0.270 543 S C -1.003 173.583 174.600 -0.022 0.000 1.131 543 S CA -0.245 57.937 58.200 -0.030 0.000 0.826 543 S CB 1.067 64.348 63.200 0.136 0.000 1.095 543 S HN 1.425 nan 8.310 nan 0.000 0.461 544 V N -0.377 119.473 119.914 -0.106 0.000 2.789 544 V HA 0.950 5.070 4.120 0.000 0.000 0.311 544 V C -1.039 174.986 176.094 -0.116 0.000 1.073 544 V CA -0.627 61.633 62.300 -0.067 0.000 0.921 544 V CB 1.627 33.404 31.823 -0.077 0.000 1.009 544 V HN 1.143 nan 8.190 nan 0.000 0.426 545 N N 3.203 121.913 118.700 0.017 0.000 2.478 545 N HA 0.543 5.283 4.740 0.000 0.000 0.291 545 N C -2.522 173.060 175.510 0.119 0.000 1.090 545 N CA -1.842 51.254 53.050 0.076 0.000 0.911 545 N CB 2.831 41.495 38.487 0.295 0.000 1.546 545 N HN 0.284 nan 8.380 nan 0.000 0.500 546 P HA 0.070 nan 4.420 nan 0.000 0.219 546 P C 0.065 177.424 177.300 0.098 0.000 1.146 546 P CA 1.532 64.696 63.100 0.106 0.000 0.808 546 P CB -0.121 31.444 31.700 -0.224 0.000 0.779 547 G N -1.135 107.718 108.800 0.088 0.000 2.730 547 G HA2 -0.088 3.872 3.960 0.000 0.000 0.686 547 G HA3 -0.088 3.872 3.960 0.000 0.000 0.686 547 G C -3.068 171.857 174.900 0.041 0.000 1.343 547 G CA -0.728 44.418 45.100 0.076 0.000 0.826 547 G HN -0.007 nan 8.290 nan 0.000 0.582 548 P HA 0.580 nan 4.420 nan 0.000 0.293 548 P C 0.731 178.025 177.300 -0.010 0.000 1.300 548 P CA 1.165 64.291 63.100 0.044 0.000 0.792 548 P CB 1.244 33.015 31.700 0.118 0.000 0.925 549 G N 3.025 111.828 108.800 0.005 0.000 2.270 549 G HA2 0.113 4.073 3.960 0.000 0.000 0.268 549 G HA3 0.113 4.073 3.960 0.000 0.000 0.268 549 G C -1.517 173.396 174.900 0.022 0.000 1.312 549 G CA -0.570 44.516 45.100 -0.022 0.000 1.050 549 G HN 0.900 nan 8.290 nan 0.000 0.474 550 H N -1.125 118.009 119.070 0.106 0.000 2.710 550 H HA 0.855 5.411 4.556 0.000 0.000 0.361 550 H C 0.560 175.985 175.328 0.162 0.000 1.175 550 H CA -0.255 55.867 56.048 0.123 0.000 1.206 550 H CB 1.400 31.290 29.762 0.213 0.000 1.750 550 H HN 1.142 nan 8.280 nan 0.000 0.553 551 G N -0.304 108.710 108.800 0.357 0.000 2.753 551 G HA2 0.583 4.543 3.960 0.000 0.000 0.285 551 G HA3 0.583 4.543 3.960 0.000 0.000 0.285 551 G C -0.617 174.556 174.900 0.454 0.000 1.344 551 G CA -0.777 44.546 45.100 0.372 0.000 1.050 551 G HN 0.966 nan 8.290 nan 0.000 0.532 552 I N -3.756 117.036 120.570 0.370 0.000 3.074 552 I HA 0.698 4.868 4.170 0.000 0.000 0.310 552 I C -1.022 175.232 176.117 0.229 0.000 1.153 552 I CA -0.928 60.560 61.300 0.313 0.000 0.993 552 I CB 2.353 40.518 38.000 0.274 0.000 1.237 552 I HN 0.307 nan 8.210 nan 0.000 0.443 553 T N 4.364 119.020 114.554 0.171 0.000 2.770 553 T HA 0.541 4.892 4.350 0.000 0.000 0.283 553 T C -0.109 174.634 174.700 0.073 0.000 0.988 553 T CA -0.465 61.693 62.100 0.097 0.000 0.957 553 T CB 1.041 69.936 68.868 0.046 0.000 0.930 553 T HN 0.342 nan 8.240 nan 0.000 0.443 554 L N 3.293 124.546 121.223 0.050 0.000 2.397 554 L HA 0.403 4.743 4.340 0.000 0.000 0.271 554 L C 1.454 178.326 176.870 0.004 0.000 1.148 554 L CA -0.257 54.599 54.840 0.026 0.000 0.825 554 L CB 0.577 42.641 42.059 0.009 0.000 1.117 554 L HN 0.858 nan 8.230 nan 0.000 0.456 555 T N -2.146 112.406 114.554 -0.004 0.000 3.253 555 T HA 0.213 4.564 4.350 0.000 0.000 0.299 555 T C 0.764 175.450 174.700 -0.024 0.000 0.927 555 T CA -0.491 61.600 62.100 -0.015 0.000 0.926 555 T CB 0.173 69.034 68.868 -0.012 0.000 1.183 555 T HN 0.596 nan 8.240 nan 0.000 0.557 556 R N 0.916 121.400 120.500 -0.027 0.000 2.727 556 R HA 0.330 4.670 4.340 0.000 0.000 0.410 556 R C 0.584 176.864 176.300 -0.032 0.000 1.101 556 R CA -0.294 55.787 56.100 -0.032 0.000 1.045 556 R CB 0.443 30.718 30.300 -0.042 0.000 1.380 556 R HN 0.139 nan 8.270 nan 0.000 0.587 557 Q N 0.816 120.596 119.800 -0.033 0.000 2.319 557 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 557 Q C 1.650 177.627 176.000 -0.039 0.000 0.896 557 Q CA 0.253 56.032 55.803 -0.040 0.000 0.942 557 Q CB 0.619 29.330 28.738 -0.046 0.000 1.083 557 Q HN 0.392 nan 8.270 nan 0.000 0.510 558 Q N 0.612 120.393 119.800 -0.032 0.000 2.217 558 Q HA -0.167 4.173 4.340 0.000 0.000 0.209 558 Q C 0.380 176.362 176.000 -0.031 0.000 0.988 558 Q CA 1.298 57.083 55.803 -0.029 0.000 0.878 558 Q CB -0.436 28.287 28.738 -0.024 0.000 0.909 558 Q HN 0.269 nan 8.270 nan 0.000 0.424 559 N N 0.306 118.987 118.700 -0.031 0.000 2.321 559 N HA 0.228 4.968 4.740 0.000 0.000 0.242 559 N C -0.570 174.917 175.510 -0.039 0.000 1.141 559 N CA -0.059 52.972 53.050 -0.031 0.000 0.864 559 N CB 0.912 39.385 38.487 -0.024 0.000 1.100 559 N HN 0.173 nan 8.380 nan 0.000 0.510 560 I N 0.925 121.466 120.570 -0.047 0.000 2.390 560 I HA 0.135 4.305 4.170 0.000 0.000 0.283 560 I C 0.690 176.766 176.117 -0.068 0.000 1.016 560 I CA -0.615 60.649 61.300 -0.060 0.000 1.151 560 I CB 1.110 39.068 38.000 -0.070 0.000 1.293 560 I HN -0.129 nan 8.210 nan 0.000 0.458 561 S N 4.409 120.065 115.700 -0.074 0.000 2.537 561 S HA 0.353 4.823 4.470 0.000 0.000 0.286 561 S C 1.319 175.860 174.600 -0.099 0.000 1.299 561 S CA 1.002 59.151 58.200 -0.084 0.000 1.067 561 S CB 0.271 63.413 63.200 -0.097 0.000 0.864 561 S HN 1.110 nan 8.310 nan 0.000 0.494 562 G N 2.928 111.678 108.800 -0.083 0.000 2.199 562 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 562 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 562 G C 0.351 175.207 174.900 -0.072 0.000 0.982 562 G CA 0.480 45.535 45.100 -0.076 0.000 0.632 562 G HN 1.044 nan 8.290 nan 0.000 0.529 563 S N -0.469 115.182 115.700 -0.081 0.000 2.748 563 S HA 0.830 5.300 4.470 0.000 0.000 0.299 563 S C -0.196 174.368 174.600 -0.060 0.000 1.119 563 S CA 0.669 58.816 58.200 -0.089 0.000 0.997 563 S CB 1.425 64.559 63.200 -0.110 0.000 1.223 563 S HN 1.338 nan 8.310 nan 0.000 0.541 564 Q N 0.740 120.507 119.800 -0.056 0.000 2.527 564 Q HA 0.429 4.769 4.340 0.000 0.000 0.280 564 Q C -1.827 174.151 176.000 -0.038 0.000 0.977 564 Q CA -1.042 54.736 55.803 -0.041 0.000 0.837 564 Q CB 0.460 29.179 28.738 -0.032 0.000 1.454 564 Q HN 0.510 nan 8.270 nan 0.000 0.387 565 N N -0.032 118.648 118.700 -0.034 0.000 2.525 565 N HA 0.405 5.145 4.740 0.000 0.000 0.271 565 N C 0.769 176.259 175.510 -0.032 0.000 1.194 565 N CA 1.619 54.651 53.050 -0.030 0.000 0.964 565 N CB 1.267 39.737 38.487 -0.028 0.000 1.126 565 N HN 1.004 nan 8.380 nan 0.000 0.452 566 G N 0.653 109.435 108.800 -0.029 0.000 2.213 566 G HA2 -0.286 3.674 3.960 0.000 0.000 0.236 566 G HA3 -0.286 3.674 3.960 0.000 0.000 0.236 566 G C 0.335 175.211 174.900 -0.040 0.000 0.991 566 G CA 0.081 45.157 45.100 -0.040 0.000 0.629 566 G HN 0.688 nan 8.290 nan 0.000 0.517 567 R N 1.015 121.502 120.500 -0.023 0.000 2.502 567 R HA 0.401 4.741 4.340 0.000 0.000 0.292 567 R C 0.257 176.573 176.300 0.027 0.000 0.998 567 R CA -0.066 56.032 56.100 -0.004 0.000 1.056 567 R CB -0.032 30.273 30.300 0.007 0.000 0.939 567 R HN 0.296 nan 8.270 nan 0.000 0.411 568 L N 6.910 128.138 121.223 0.008 0.000 2.292 568 L HA 0.527 4.867 4.340 0.000 0.000 0.284 568 L C 0.166 177.187 176.870 0.250 0.000 1.065 568 L CA -0.557 54.344 54.840 0.102 0.000 0.806 568 L CB 1.163 43.232 42.059 0.016 0.000 1.175 568 L HN 0.693 nan 8.230 nan 0.000 0.431 569 I N 3.566 124.338 120.570 0.338 0.000 2.841 569 I HA 0.480 4.650 4.170 0.000 0.000 0.298 569 I C -1.753 174.613 176.117 0.416 0.000 1.304 569 I CA -0.533 60.979 61.300 0.353 0.000 1.019 569 I CB 2.539 40.684 38.000 0.241 0.000 1.282 569 I HN 0.613 nan 8.210 nan 0.000 0.432 570 Y N 4.511 124.969 120.300 0.264 0.000 2.571 570 Y HA 0.718 5.268 4.550 0.000 0.000 0.341 570 Y C -3.010 172.971 175.900 0.135 0.000 1.076 570 Y CA -2.576 55.627 58.100 0.171 0.000 1.029 570 Y CB 1.310 39.841 38.460 0.118 0.000 1.308 570 Y HN 0.224 nan 8.280 nan 0.000 0.461 571 P HA 0.372 nan 4.420 nan 0.000 0.283 571 P C -0.570 176.801 177.300 0.118 0.000 1.412 571 P CA 0.335 63.476 63.100 0.068 0.000 0.912 571 P CB 0.961 32.629 31.700 -0.053 0.000 1.132 572 A N 5.062 127.940 122.820 0.096 0.000 2.271 572 A HA 0.619 4.939 4.320 0.000 0.000 0.288 572 A C 0.150 177.766 177.584 0.054 0.000 1.094 572 A CA -0.842 51.277 52.037 0.136 0.000 0.828 572 A CB 0.369 19.444 19.000 0.126 0.000 1.091 572 A HN 0.506 nan 8.150 nan 0.000 0.493 573 I N 0.830 121.447 120.570 0.078 0.000 2.354 573 I HA 0.425 4.595 4.170 0.000 0.000 0.292 573 I C -0.525 175.638 176.117 0.076 0.000 0.989 573 I CA -0.579 60.761 61.300 0.066 0.000 1.188 573 I CB 1.568 39.626 38.000 0.097 0.000 1.342 573 I HN 0.333 nan 8.210 nan 0.000 0.457 574 V N 8.084 128.034 119.914 0.059 0.000 2.540 574 V HA 0.513 4.633 4.120 0.000 0.000 0.302 574 V C -1.165 174.972 176.094 0.072 0.000 1.035 574 V CA -0.701 61.635 62.300 0.059 0.000 0.873 574 V CB 2.034 33.885 31.823 0.046 0.000 0.992 574 V HN 0.545 nan 8.190 nan 0.000 0.428 575 L N 6.726 127.987 121.223 0.064 0.000 2.276 575 L HA 0.577 4.917 4.340 0.000 0.000 0.286 575 L C 0.850 177.717 176.870 -0.005 0.000 1.024 575 L CA 0.081 54.948 54.840 0.045 0.000 0.826 575 L CB 1.401 43.486 42.059 0.043 0.000 1.211 575 L HN 0.842 nan 8.230 nan 0.000 0.422 576 D N 3.461 123.860 120.400 -0.002 0.000 2.085 576 D HA -0.128 4.512 4.640 0.000 0.000 0.199 576 D C 1.498 177.700 176.300 -0.164 0.000 0.981 576 D CA 1.394 55.362 54.000 -0.054 0.000 0.834 576 D CB 0.159 40.951 40.800 -0.014 0.000 0.992 576 D HN 0.615 nan 8.370 nan 0.000 0.457 577 R N -2.593 117.752 120.500 -0.258 0.000 4.109 577 R HA 0.155 4.495 4.340 0.000 0.000 0.101 577 R C 0.878 176.802 176.300 -0.627 0.000 0.690 577 R CA -0.070 55.719 56.100 -0.517 0.000 1.473 577 R CB -0.067 29.788 30.300 -0.742 0.000 1.608 577 R HN 0.124 nan 8.270 nan 0.000 0.431 578 F N -0.253 119.444 119.950 -0.422 0.000 2.712 578 F HA 0.441 4.968 4.527 0.000 0.000 0.297 578 F C -0.105 175.259 175.800 -0.726 0.000 1.114 578 F CA -0.237 57.353 58.000 -0.684 0.000 1.305 578 F CB 0.569 38.913 39.000 -1.093 0.000 1.086 578 F HN -0.163 nan 8.300 nan 0.000 0.599 579 F N 1.092 121.115 119.950 0.121 0.000 2.469 579 F HA 0.565 5.092 4.527 0.000 0.000 0.332 579 F C -0.149 175.690 175.800 0.064 0.000 1.103 579 F CA -1.647 56.399 58.000 0.075 0.000 0.979 579 F CB 0.894 39.945 39.000 0.085 0.000 1.137 579 F HN -0.382 nan 8.300 nan 0.000 0.463 580 L N 2.968 124.355 121.223 0.273 0.000 2.343 580 L HA 0.525 4.865 4.340 0.000 0.000 0.275 580 L C -0.084 176.867 176.870 0.136 0.000 1.056 580 L CA -0.458 54.492 54.840 0.182 0.000 0.804 580 L CB 1.319 43.493 42.059 0.193 0.000 1.203 580 L HN 0.640 nan 8.230 nan 0.000 0.440 581 N N 0.456 119.201 118.700 0.075 0.000 3.020 581 N HA 0.535 5.275 4.740 0.000 0.000 0.248 581 N C -1.736 173.747 175.510 -0.045 0.000 1.480 581 N CA -0.371 52.679 53.050 0.000 0.000 0.874 581 N CB 2.305 40.797 38.487 0.010 0.000 1.433 581 N HN 0.172 nan 8.380 nan 0.000 0.530 582 V N 1.642 121.469 119.914 -0.146 0.000 2.715 582 V HA 0.712 4.832 4.120 0.000 0.000 0.310 582 V C -0.025 175.964 176.094 -0.176 0.000 1.054 582 V CA -0.591 61.602 62.300 -0.178 0.000 0.928 582 V CB 1.504 33.140 31.823 -0.311 0.000 1.007 582 V HN 0.766 nan 8.190 nan 0.000 0.437 583 M N 1.576 121.119 119.600 -0.095 0.000 2.520 583 M HA 0.676 5.156 4.480 0.000 0.000 0.283 583 M C -0.857 175.466 176.300 0.038 0.000 1.237 583 M CA -0.446 54.849 55.300 -0.009 0.000 0.885 583 M CB 2.274 34.893 32.600 0.031 0.000 1.727 583 M HN 0.337 nan 8.290 nan 0.000 0.468 584 S N 2.051 117.853 115.700 0.170 0.000 2.565 584 S HA 0.632 5.102 4.470 0.000 0.000 0.276 584 S C -0.401 174.272 174.600 0.122 0.000 1.326 584 S CA -0.488 57.823 58.200 0.186 0.000 1.045 584 S CB 0.393 63.786 63.200 0.321 0.000 0.918 584 S HN 0.546 nan 8.310 nan 0.000 0.505 585 I N 3.605 124.125 120.570 -0.083 0.000 2.447 585 I HA 0.450 4.620 4.170 0.000 0.000 0.287 585 I C -1.101 175.041 176.117 0.042 0.000 1.023 585 I CA -0.761 60.433 61.300 -0.177 0.000 1.083 585 I CB 1.322 38.931 38.000 -0.651 0.000 1.245 585 I HN 0.743 nan 8.210 nan 0.000 0.434 586 Y N 3.673 124.065 120.300 0.153 0.000 2.615 586 Y HA 0.769 5.319 4.550 0.000 0.000 0.341 586 Y C -0.936 174.943 175.900 -0.034 0.000 1.089 586 Y CA -1.467 56.728 58.100 0.158 0.000 1.049 586 Y CB 1.629 40.112 38.460 0.038 0.000 1.296 586 Y HN 0.346 nan 8.280 nan 0.000 0.470 587 S N 0.474 115.962 115.700 -0.353 0.000 2.614 587 S HA 0.382 4.852 4.470 0.000 0.000 0.288 587 S C -1.182 173.227 174.600 -0.317 0.000 1.137 587 S CA -0.631 57.140 58.200 -0.714 0.000 0.992 587 S CB 0.980 63.194 63.200 -1.642 0.000 1.026 587 S HN 0.741 nan 8.310 nan 0.000 0.486 588 D N 2.526 122.802 120.400 -0.207 0.000 2.368 588 D HA 0.160 4.800 4.640 0.000 0.000 0.218 588 D C 0.068 176.282 176.300 -0.143 0.000 1.112 588 D CA 0.270 54.212 54.000 -0.097 0.000 0.834 588 D CB 0.477 41.275 40.800 -0.003 0.000 0.953 588 D HN 0.741 nan 8.370 nan 0.000 0.505 589 D N -1.517 118.746 120.400 -0.227 0.000 2.740 589 D HA 0.215 4.855 4.640 0.000 0.000 0.301 589 D C 1.245 177.421 176.300 -0.206 0.000 1.408 589 D CA -0.499 53.390 54.000 -0.184 0.000 0.808 589 D CB -0.011 40.695 40.800 -0.158 0.000 1.128 589 D HN 0.043 nan 8.370 nan 0.000 0.465 590 G N -0.455 108.204 108.800 -0.235 0.000 2.179 590 G HA2 -0.071 3.889 3.960 0.000 0.000 0.260 590 G HA3 -0.071 3.889 3.960 0.000 0.000 0.260 590 G C 1.141 175.876 174.900 -0.274 0.000 0.977 590 G CA 0.397 45.371 45.100 -0.210 0.000 0.641 590 G HN 1.522 nan 8.290 nan 0.000 0.533 591 G N -1.458 107.047 108.800 -0.491 0.000 2.168 591 G HA2 0.042 4.002 3.960 0.000 0.000 0.197 591 G HA3 0.042 4.002 3.960 0.000 0.000 0.197 591 G C 1.100 175.798 174.900 -0.336 0.000 0.997 591 G CA 1.547 46.300 45.100 -0.578 0.000 0.658 591 G HN 1.783 nan 8.290 nan 0.000 0.513 592 S N -0.305 115.246 115.700 -0.249 0.000 2.388 592 S HA 0.174 4.644 4.470 0.000 0.000 0.223 592 S C 0.857 175.455 174.600 -0.004 0.000 1.034 592 S CA 1.101 59.290 58.200 -0.018 0.000 0.963 592 S CB -0.068 63.116 63.200 -0.027 0.000 0.827 592 S HN 0.465 nan 8.310 nan 0.000 0.481 593 N N 0.307 118.877 118.700 -0.217 0.000 2.314 593 N HA 0.318 5.058 4.740 0.000 0.000 0.294 593 N C -1.891 173.401 175.510 -0.364 0.000 1.029 593 N CA -0.325 52.640 53.050 -0.142 0.000 0.845 593 N CB 1.415 39.835 38.487 -0.112 0.000 1.321 593 N HN 0.269 nan 8.380 nan 0.000 0.481 594 W N 0.826 122.052 121.300 -0.125 0.000 2.706 594 W HA 0.476 5.136 4.660 0.000 0.000 0.346 594 W C 0.208 176.555 176.519 -0.285 0.000 1.071 594 W CA -0.456 56.763 57.345 -0.211 0.000 1.206 594 W CB 1.256 30.630 29.460 -0.143 0.000 1.413 594 W HN 0.188 nan 8.180 nan 0.000 0.542 595 Q N 0.379 120.011 119.800 -0.279 0.000 2.495 595 Q HA 0.639 4.979 4.340 0.000 0.000 0.287 595 Q C -0.664 175.155 176.000 -0.302 0.000 1.078 595 Q CA -1.124 54.454 55.803 -0.375 0.000 0.793 595 Q CB 2.563 30.911 28.738 -0.649 0.000 1.459 595 Q HN 0.471 nan 8.270 nan 0.000 0.422 596 T N -2.235 112.287 114.554 -0.053 0.000 2.885 596 T HA 0.780 5.130 4.350 0.000 0.000 0.285 596 T C 0.152 174.997 174.700 0.243 0.000 1.019 596 T CA -0.569 61.589 62.100 0.096 0.000 1.010 596 T CB 1.624 70.532 68.868 0.067 0.000 1.022 596 T HN 0.656 nan 8.240 nan 0.000 0.466 597 G N 0.685 109.649 108.800 0.274 0.000 2.642 597 G HA2 0.567 4.528 3.960 0.000 0.000 0.291 597 G HA3 0.567 4.528 3.960 0.000 0.000 0.291 597 G C -0.446 174.523 174.900 0.115 0.000 1.345 597 G CA -0.933 44.302 45.100 0.225 0.000 1.043 597 G HN 0.823 nan 8.290 nan 0.000 0.528 598 S N -0.446 115.284 115.700 0.051 0.000 2.601 598 S HA 0.463 4.933 4.470 0.000 0.000 0.271 598 S C 0.820 175.446 174.600 0.043 0.000 1.305 598 S CA -0.424 57.751 58.200 -0.043 0.000 1.022 598 S CB 1.100 64.151 63.200 -0.247 0.000 0.940 598 S HN 0.903 nan 8.310 nan 0.000 0.525 599 T N 0.599 115.152 114.554 -0.001 0.000 2.860 599 T HA 0.393 4.743 4.350 0.000 0.000 0.299 599 T C 0.343 175.020 174.700 -0.039 0.000 1.045 599 T CA -0.823 61.267 62.100 -0.017 0.000 1.071 599 T CB -0.130 68.740 68.868 0.003 0.000 0.985 599 T HN 0.394 nan 8.240 nan 0.000 0.537 600 L N 2.662 123.780 121.223 -0.175 0.000 2.485 600 L HA 0.255 4.595 4.340 0.000 0.000 0.275 600 L C -1.684 175.145 176.870 -0.069 0.000 1.207 600 L CA -1.710 52.983 54.840 -0.245 0.000 0.855 600 L CB -0.226 41.376 42.059 -0.762 0.000 1.114 600 L HN 0.538 nan 8.230 nan 0.000 0.485 601 P HA 0.281 nan 4.420 nan 0.000 0.287 601 P C -0.947 176.408 177.300 0.091 0.000 1.294 601 P CA -0.078 63.054 63.100 0.054 0.000 0.776 601 P CB 0.759 32.514 31.700 0.091 0.000 0.889 602 I N 1.839 122.387 120.570 -0.037 0.000 2.828 602 I HA 0.644 4.814 4.170 0.000 0.000 0.302 602 I C -2.524 173.517 176.117 -0.126 0.000 1.101 602 I CA -3.177 58.079 61.300 -0.074 0.000 1.031 602 I CB 2.311 40.252 38.000 -0.097 0.000 1.231 602 I HN 0.098 nan 8.210 nan 0.000 0.427 603 P HA 0.346 nan 4.420 nan 0.000 0.274 603 P C -1.227 176.033 177.300 -0.066 0.000 1.237 603 P CA 0.206 63.242 63.100 -0.107 0.000 0.793 603 P CB 0.823 32.446 31.700 -0.128 0.000 0.977 604 F N -1.129 118.661 119.950 -0.267 0.000 2.631 604 F HA 0.794 5.321 4.527 0.000 0.000 0.308 604 F C -1.161 174.486 175.800 -0.255 0.000 1.097 604 F CA -1.194 56.618 58.000 -0.313 0.000 0.952 604 F CB 1.898 40.672 39.000 -0.377 0.000 1.307 604 F HN 0.304 nan 8.300 nan 0.000 0.450 605 R N 2.013 122.228 120.500 -0.475 0.000 2.594 605 R HA 0.280 4.620 4.340 0.000 0.000 0.265 605 R C -2.633 173.471 176.300 -0.327 0.000 1.070 605 R CA -0.570 55.262 56.100 -0.447 0.000 0.909 605 R CB 1.686 31.831 30.300 -0.258 0.000 1.243 605 R HN 0.977 nan 8.270 nan 0.000 0.455 606 W N 4.140 125.422 121.300 -0.032 0.000 2.314 606 W HA 0.389 5.049 4.660 0.000 0.000 0.310 606 W C 0.624 177.148 176.519 0.009 0.000 1.075 606 W CA -0.495 56.874 57.345 0.040 0.000 1.253 606 W CB 1.137 30.646 29.460 0.082 0.000 1.238 606 W HN 0.010 nan 8.180 nan 0.000 0.440 607 K N 2.669 123.199 120.400 0.218 0.000 2.227 607 K HA 0.160 4.480 4.320 0.000 0.000 0.280 607 K C 0.524 177.214 176.600 0.149 0.000 1.041 607 K CA 0.131 56.498 56.287 0.133 0.000 0.905 607 K CB 1.156 33.702 32.500 0.077 0.000 1.068 607 K HN 0.605 nan 8.250 nan 0.000 0.470 608 S N 2.351 118.114 115.700 0.106 0.000 3.581 608 S HA -0.171 4.299 4.470 0.000 0.000 0.354 608 S C -0.045 174.609 174.600 0.091 0.000 1.059 608 S CA 1.148 59.397 58.200 0.082 0.000 1.060 608 S CB -1.542 61.699 63.200 0.067 0.000 0.908 608 S HN 0.789 nan 8.310 nan 0.000 0.475 609 S N -1.487 114.283 115.700 0.118 0.000 3.477 609 S HA -0.244 4.226 4.470 0.000 0.000 0.357 609 S C 0.961 175.591 174.600 0.049 0.000 1.083 609 S CA 1.192 59.429 58.200 0.062 0.000 1.042 609 S CB -1.418 61.778 63.200 -0.007 0.000 0.911 609 S HN 1.028 nan 8.310 nan 0.000 0.490 610 S N -1.315 114.505 115.700 0.200 0.000 2.597 610 S HA 0.360 4.830 4.470 0.000 0.000 0.275 610 S C -0.012 174.820 174.600 0.387 0.000 1.040 610 S CA -0.244 58.080 58.200 0.207 0.000 1.187 610 S CB 0.410 63.676 63.200 0.110 0.000 0.988 610 S HN 0.446 nan 8.310 nan 0.000 0.490 611 I N 3.567 124.353 120.570 0.360 0.000 2.321 611 I HA 0.428 4.598 4.170 0.000 0.000 0.291 611 I C -0.631 175.589 176.117 0.171 0.000 0.998 611 I CA -0.767 60.685 61.300 0.254 0.000 1.227 611 I CB 1.559 39.636 38.000 0.128 0.000 1.368 611 I HN 0.199 nan 8.210 nan 0.000 0.466 612 L N 7.203 128.416 121.223 -0.017 0.000 2.331 612 L HA 0.315 4.655 4.340 0.000 0.000 0.278 612 L C -0.077 176.617 176.870 -0.293 0.000 1.106 612 L CA 0.422 54.966 54.840 -0.494 0.000 0.824 612 L CB 0.676 42.356 42.059 -0.632 0.000 1.142 612 L HN 0.612 nan 8.230 nan 0.000 0.443 613 E N 3.511 123.516 120.200 -0.325 0.000 2.182 613 E HA 0.486 4.836 4.350 0.000 0.000 0.258 613 E C -1.121 175.344 176.600 -0.225 0.000 0.879 613 E CA -0.284 55.996 56.400 -0.200 0.000 0.754 613 E CB 1.171 30.793 29.700 -0.130 0.000 1.162 613 E HN 0.779 nan 8.360 nan 0.000 0.419 614 T N 2.765 117.188 114.554 -0.218 0.000 2.671 614 T HA 0.499 4.849 4.350 0.000 0.000 0.300 614 T C -1.377 173.225 174.700 -0.165 0.000 1.238 614 T CA -0.543 61.427 62.100 -0.217 0.000 1.020 614 T CB 0.740 69.425 68.868 -0.305 0.000 1.503 614 T HN 0.372 nan 8.240 nan 0.000 0.497 615 L N 1.302 122.427 121.223 -0.164 0.000 2.334 615 L HA 0.651 4.992 4.340 0.000 0.000 0.270 615 L C -0.100 176.756 176.870 -0.022 0.000 1.018 615 L CA -0.732 54.050 54.840 -0.096 0.000 0.811 615 L CB 1.512 43.476 42.059 -0.158 0.000 1.271 615 L HN 0.692 nan 8.230 nan 0.000 0.443 616 E N 1.797 122.035 120.200 0.062 0.000 3.108 616 E HA 0.268 4.618 4.350 0.000 0.000 0.228 616 E C -2.491 174.164 176.600 0.091 0.000 1.176 616 E CA -1.723 54.756 56.400 0.132 0.000 0.881 616 E CB 1.397 31.281 29.700 0.306 0.000 1.354 616 E HN 0.266 nan 8.360 nan 0.000 0.400 617 P HA -0.048 nan 4.420 nan 0.000 0.268 617 P C 0.116 177.405 177.300 -0.019 0.000 1.204 617 P CA 0.429 63.511 63.100 -0.029 0.000 0.768 617 P CB 1.215 32.826 31.700 -0.148 0.000 0.842 618 S N 1.501 117.187 115.700 -0.023 0.000 3.571 618 S HA 0.193 4.663 4.470 0.000 0.000 0.175 618 S C -0.202 174.379 174.600 -0.032 0.000 0.907 618 S CA -0.544 57.653 58.200 -0.005 0.000 1.087 618 S CB -0.460 62.754 63.200 0.022 0.000 1.471 618 S HN 0.327 nan 8.310 nan 0.000 0.877 619 E N 2.167 122.342 120.200 -0.043 0.000 2.292 619 E HA 0.542 4.892 4.350 0.000 0.000 0.265 619 E C -0.351 176.193 176.600 -0.092 0.000 1.093 619 E CA -0.028 56.331 56.400 -0.068 0.000 0.922 619 E CB 0.541 30.169 29.700 -0.121 0.000 1.001 619 E HN 0.626 nan 8.360 nan 0.000 0.444 620 A N 4.068 126.840 122.820 -0.080 0.000 2.430 620 A HA 0.640 4.960 4.320 0.000 0.000 0.300 620 A C -1.119 176.423 177.584 -0.069 0.000 1.124 620 A CA -0.862 51.122 52.037 -0.088 0.000 0.766 620 A CB 1.566 20.482 19.000 -0.140 0.000 1.328 620 A HN 0.563 nan 8.150 nan 0.000 0.424 621 D N -0.083 120.287 120.400 -0.051 0.000 2.857 621 D HA 0.589 5.230 4.640 0.000 0.000 0.227 621 D C -0.486 175.834 176.300 0.033 0.000 1.192 621 D CA -0.227 53.752 54.000 -0.036 0.000 0.857 621 D CB 1.778 42.535 40.800 -0.073 0.000 1.645 621 D HN 0.765 nan 8.370 nan 0.000 0.482 622 M N 0.020 119.667 119.600 0.079 0.000 2.619 622 M HA 0.855 5.335 4.480 0.000 0.000 0.297 622 M C -1.731 174.693 176.300 0.207 0.000 1.229 622 M CA -1.027 54.374 55.300 0.168 0.000 0.860 622 M CB 2.415 35.151 32.600 0.226 0.000 1.741 622 M HN 0.248 nan 8.290 nan 0.000 0.462 623 V N 0.614 120.669 119.914 0.235 0.000 2.925 623 V HA 0.487 4.607 4.120 0.000 0.000 0.311 623 V C -1.463 174.740 176.094 0.182 0.000 1.104 623 V CA -0.357 62.070 62.300 0.212 0.000 0.954 623 V CB 2.379 34.336 31.823 0.222 0.000 1.022 623 V HN 1.052 nan 8.190 nan 0.000 0.427 624 E N 5.041 125.318 120.200 0.128 0.000 2.167 624 E HA 0.459 4.809 4.350 0.000 0.000 0.284 624 E C -0.761 175.862 176.600 0.038 0.000 1.016 624 E CA -0.486 55.961 56.400 0.079 0.000 0.817 624 E CB 1.054 30.783 29.700 0.048 0.000 1.080 624 E HN 0.667 nan 8.360 nan 0.000 0.397 625 L N 3.345 124.593 121.223 0.041 0.000 2.479 625 L HA 0.065 4.405 4.340 0.000 0.000 0.248 625 L C 1.586 178.427 176.870 -0.048 0.000 1.205 625 L CA -0.401 54.451 54.840 0.019 0.000 0.817 625 L CB 0.287 42.380 42.059 0.057 0.000 1.162 625 L HN 0.637 nan 8.230 nan 0.000 0.486 626 Q N 1.423 121.183 119.800 -0.068 0.000 2.170 626 Q HA -0.195 4.145 4.340 0.000 0.000 0.203 626 Q C 1.364 177.345 176.000 -0.031 0.000 0.976 626 Q CA 1.967 57.709 55.803 -0.103 0.000 0.858 626 Q CB -0.119 28.630 28.738 0.018 0.000 0.907 626 Q HN 0.715 nan 8.270 nan 0.000 0.433 627 N N -1.344 117.356 118.700 -0.001 0.000 2.322 627 N HA 0.119 4.859 4.740 0.000 0.000 0.194 627 N C 0.799 176.301 175.510 -0.013 0.000 1.126 627 N CA 0.830 53.880 53.050 -0.001 0.000 0.845 627 N CB 0.339 38.833 38.487 0.011 0.000 0.976 627 N HN 0.308 nan 8.380 nan 0.000 0.475 628 G N -0.582 108.206 108.800 -0.019 0.000 2.195 628 G HA2 -0.248 3.713 3.960 0.000 0.000 0.246 628 G HA3 -0.248 3.713 3.960 0.000 0.000 0.246 628 G C -0.529 174.355 174.900 -0.028 0.000 0.984 628 G CA 0.135 45.220 45.100 -0.026 0.000 0.633 628 G HN 0.453 nan 8.290 nan 0.000 0.525 629 D N 0.478 120.870 120.400 -0.013 0.000 2.362 629 D HA 0.510 5.150 4.640 0.000 0.000 0.242 629 D C 0.896 177.209 176.300 0.021 0.000 1.132 629 D CA 0.196 54.187 54.000 -0.014 0.000 0.907 629 D CB 0.882 41.690 40.800 0.012 0.000 1.195 629 D HN 0.310 nan 8.370 nan 0.000 0.429 630 L N 1.851 123.082 121.223 0.015 0.000 2.296 630 L HA 0.357 4.697 4.340 0.000 0.000 0.286 630 L C -0.392 176.673 176.870 0.326 0.000 1.023 630 L CA -1.063 53.862 54.840 0.141 0.000 0.812 630 L CB 1.372 43.496 42.059 0.108 0.000 1.223 630 L HN 0.089 nan 8.230 nan 0.000 0.421 631 L N 5.127 126.547 121.223 0.328 0.000 2.272 631 L HA 0.514 4.854 4.340 0.000 0.000 0.289 631 L C -0.913 176.171 176.870 0.358 0.000 1.032 631 L CA -0.112 54.940 54.840 0.352 0.000 0.810 631 L CB 1.303 43.526 42.059 0.273 0.000 1.205 631 L HN 0.444 nan 8.230 nan 0.000 0.422 632 L N 4.874 126.295 121.223 0.331 0.000 2.346 632 L HA 0.578 4.918 4.340 0.000 0.000 0.276 632 L C -0.895 176.069 176.870 0.157 0.000 1.006 632 L CA -0.100 54.805 54.840 0.108 0.000 0.817 632 L CB 1.847 43.677 42.059 -0.382 0.000 1.272 632 L HN 0.749 nan 8.230 nan 0.000 0.421 633 T N 4.245 118.872 114.554 0.120 0.000 2.792 633 T HA 0.828 5.178 4.350 0.000 0.000 0.280 633 T C -0.768 173.975 174.700 0.072 0.000 0.990 633 T CA -0.243 61.942 62.100 0.143 0.000 0.960 633 T CB 0.955 69.926 68.868 0.173 0.000 0.939 633 T HN 0.881 nan 8.240 nan 0.000 0.439 634 A N 4.517 127.395 122.820 0.097 0.000 2.386 634 A HA 0.768 5.088 4.320 0.000 0.000 0.311 634 A C -0.170 177.429 177.584 0.026 0.000 1.068 634 A CA -0.958 51.091 52.037 0.020 0.000 0.743 634 A CB 1.315 20.287 19.000 -0.046 0.000 1.258 634 A HN 0.936 nan 8.150 nan 0.000 0.429 635 R N 1.910 122.391 120.500 -0.032 0.000 2.491 635 R HA 0.445 4.785 4.340 0.000 0.000 0.283 635 R C -1.332 174.959 176.300 -0.015 0.000 1.072 635 R CA -0.125 55.949 56.100 -0.044 0.000 1.048 635 R CB 0.201 30.443 30.300 -0.096 0.000 0.983 635 R HN 0.651 nan 8.270 nan 0.000 0.450 636 L N 4.931 126.153 121.223 -0.002 0.000 2.277 636 L HA 0.316 4.656 4.340 0.000 0.000 0.284 636 L C -0.426 176.434 176.870 -0.016 0.000 1.028 636 L CA -0.738 54.113 54.840 0.018 0.000 0.835 636 L CB 1.477 43.567 42.059 0.053 0.000 1.215 636 L HN 0.647 nan 8.230 nan 0.000 0.425 637 D N 2.299 122.683 120.400 -0.027 0.000 2.340 637 D HA 0.478 5.118 4.640 0.000 0.000 0.251 637 D C 0.469 176.754 176.300 -0.026 0.000 1.080 637 D CA -0.030 53.868 54.000 -0.169 0.000 0.971 637 D CB 1.423 42.019 40.800 -0.340 0.000 1.137 637 D HN 0.148 nan 8.370 nan 0.000 0.475 638 F N -0.790 119.181 119.950 0.035 0.000 2.184 638 F HA -0.355 4.172 4.527 0.000 0.000 0.318 638 F C 0.957 176.776 175.800 0.032 0.000 0.994 638 F CA 0.480 58.503 58.000 0.039 0.000 0.913 638 F CB -1.545 37.491 39.000 0.060 0.000 4.133 638 F HN 0.360 nan 8.300 nan 0.000 0.138 639 N N 1.640 120.502 118.700 0.269 0.000 2.454 639 N HA 0.202 4.942 4.740 0.000 0.000 0.260 639 N C 0.019 175.583 175.510 0.091 0.000 1.218 639 N CA 0.596 53.724 53.050 0.131 0.000 0.904 639 N CB 0.610 39.145 38.487 0.080 0.000 1.065 639 N HN 0.445 nan 8.380 nan 0.000 0.462 640 Q N 2.283 122.132 119.800 0.082 0.000 2.164 640 Q HA 0.325 4.665 4.340 0.000 0.000 0.226 640 Q C -0.404 175.691 176.000 0.159 0.000 0.813 640 Q CA 0.056 55.919 55.803 0.100 0.000 0.978 640 Q CB 0.862 29.655 28.738 0.092 0.000 1.149 640 Q HN 0.578 nan 8.270 nan 0.000 0.489 641 I N 1.400 122.039 120.570 0.115 0.000 2.378 641 I HA 0.360 4.530 4.170 0.000 0.000 0.291 641 I C -0.798 175.378 176.117 0.099 0.000 0.992 641 I CA -1.044 60.333 61.300 0.129 0.000 1.154 641 I CB 1.922 39.962 38.000 0.067 0.000 1.315 641 I HN -0.246 nan 8.210 nan 0.000 0.448 642 V N 5.403 125.413 119.914 0.160 0.000 2.525 642 V HA 0.310 4.430 4.120 0.000 0.000 0.299 642 V C 0.220 176.355 176.094 0.067 0.000 1.034 642 V CA -0.747 61.596 62.300 0.072 0.000 0.863 642 V CB 1.495 33.330 31.823 0.020 0.000 0.999 642 V HN 0.920 nan 8.190 nan 0.000 0.423 643 N N 3.868 122.567 118.700 -0.001 0.000 2.725 643 N HA -0.202 4.538 4.740 0.000 0.000 0.251 643 N C 1.087 176.595 175.510 -0.005 0.000 1.031 643 N CA 1.833 54.873 53.050 -0.016 0.000 0.720 643 N CB -0.968 37.495 38.487 -0.040 0.000 0.930 643 N HN 1.744 nan 8.380 nan 0.000 0.543 644 G N -2.580 106.221 108.800 0.001 0.000 2.184 644 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 644 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 644 G C 0.056 174.939 174.900 -0.028 0.000 0.975 644 G CA 0.427 45.520 45.100 -0.011 0.000 0.642 644 G HN 0.850 nan 8.290 nan 0.000 0.536 645 V N 1.457 121.359 119.914 -0.020 0.000 2.370 645 V HA 0.489 4.609 4.120 0.000 0.000 0.279 645 V C 0.190 176.219 176.094 -0.108 0.000 1.029 645 V CA -1.146 61.079 62.300 -0.124 0.000 0.870 645 V CB 1.691 33.385 31.823 -0.215 0.000 0.984 645 V HN 0.347 nan 8.190 nan 0.000 0.451 646 N N 3.287 121.890 118.700 -0.161 0.000 2.426 646 N HA 0.236 4.976 4.740 0.000 0.000 0.257 646 N C -0.089 175.317 175.510 -0.172 0.000 1.002 646 N CA -0.189 52.820 53.050 -0.068 0.000 0.942 646 N CB 0.980 39.440 38.487 -0.045 0.000 1.112 646 N HN 0.578 nan 8.380 nan 0.000 0.499 647 Y N 2.019 122.302 120.300 -0.028 0.000 2.490 647 Y HA 0.012 4.562 4.550 0.000 0.000 0.281 647 Y C 1.434 177.316 175.900 -0.029 0.000 1.174 647 Y CA 0.553 58.632 58.100 -0.035 0.000 1.295 647 Y CB -0.337 38.106 38.460 -0.027 0.000 1.062 647 Y HN 0.721 nan 8.280 nan 0.000 0.522 648 S N -0.513 115.236 115.700 0.082 0.000 3.845 648 S HA -0.159 4.311 4.470 0.000 0.000 0.641 648 S C -2.245 172.388 174.600 0.054 0.000 1.900 648 S CA -0.120 58.106 58.200 0.044 0.000 2.062 648 S CB -1.280 61.927 63.200 0.012 0.000 0.327 648 S HN 0.189 nan 8.310 nan 0.000 1.788 649 P HA 0.193 nan 4.420 nan 0.000 0.249 649 P C 0.399 177.705 177.300 0.010 0.000 1.229 649 P CA 0.707 63.813 63.100 0.011 0.000 0.788 649 P CB -0.225 31.470 31.700 -0.009 0.000 1.072 650 R N -0.077 120.441 120.500 0.029 0.000 2.626 650 R HA 0.480 4.820 4.340 0.000 0.000 0.274 650 R C -1.696 174.642 176.300 0.065 0.000 1.031 650 R CA -0.471 55.654 56.100 0.041 0.000 0.898 650 R CB 1.566 31.878 30.300 0.019 0.000 1.222 650 R HN -0.267 nan 8.270 nan 0.000 0.455 651 Q N 2.317 122.178 119.800 0.101 0.000 2.315 651 Q HA 0.342 4.682 4.340 0.000 0.000 0.273 651 Q C -1.816 174.235 176.000 0.085 0.000 1.053 651 Q CA -0.628 55.211 55.803 0.059 0.000 0.817 651 Q CB 2.271 31.055 28.738 0.075 0.000 1.326 651 Q HN 0.539 nan 8.270 nan 0.000 0.423 652 Q N 1.985 121.745 119.800 -0.067 0.000 2.222 652 Q HA 0.707 5.047 4.340 0.000 0.000 0.252 652 Q C -1.222 174.674 176.000 -0.173 0.000 0.926 652 Q CA 0.089 55.910 55.803 0.030 0.000 0.899 652 Q CB 1.157 29.920 28.738 0.042 0.000 1.250 652 Q HN 0.561 nan 8.270 nan 0.000 0.441 653 F N 0.532 120.526 119.950 0.073 0.000 2.603 653 F HA 0.660 5.187 4.527 0.000 0.000 0.317 653 F C -0.966 175.037 175.800 0.339 0.000 1.066 653 F CA -1.048 57.046 58.000 0.155 0.000 0.941 653 F CB 1.317 40.349 39.000 0.055 0.000 1.291 653 F HN 0.327 nan 8.300 nan 0.000 0.472 654 L N 1.122 122.701 121.223 0.592 0.000 2.408 654 L HA 0.742 5.082 4.340 0.000 0.000 0.268 654 L C -0.791 176.250 176.870 0.285 0.000 0.986 654 L CA -0.158 54.947 54.840 0.443 0.000 0.820 654 L CB 2.069 44.255 42.059 0.210 0.000 1.303 654 L HN 0.536 nan 8.230 nan 0.000 0.411 655 S N 2.897 118.531 115.700 -0.110 0.000 2.502 655 S HA 0.528 4.998 4.470 0.000 0.000 0.304 655 S C 0.041 174.461 174.600 -0.301 0.000 1.097 655 S CA -0.574 57.281 58.200 -0.574 0.000 1.045 655 S CB 1.010 63.254 63.200 -1.593 0.000 1.019 655 S HN 0.746 nan 8.310 nan 0.000 0.481 656 K N 2.102 122.377 120.400 -0.208 0.000 2.399 656 K HA 0.173 4.493 4.320 0.000 0.000 0.204 656 K C -0.538 175.993 176.600 -0.115 0.000 1.023 656 K CA 0.047 56.264 56.287 -0.116 0.000 1.127 656 K CB 0.284 32.754 32.500 -0.049 0.000 0.856 656 K HN 0.650 nan 8.250 nan 0.000 0.514 657 D N -0.763 119.531 120.400 -0.177 0.000 2.819 657 D HA 0.137 4.777 4.640 0.000 0.000 0.326 657 D C 0.713 176.889 176.300 -0.206 0.000 1.408 657 D CA -0.385 53.536 54.000 -0.132 0.000 0.811 657 D CB 0.445 41.249 40.800 0.006 0.000 1.148 657 D HN 0.095 nan 8.370 nan 0.000 0.457 658 G N -0.368 108.289 108.800 -0.238 0.000 2.143 658 G HA2 -0.013 3.947 3.960 0.000 0.000 0.248 658 G HA3 -0.013 3.947 3.960 0.000 0.000 0.248 658 G C 1.148 175.844 174.900 -0.340 0.000 0.991 658 G CA 0.346 45.296 45.100 -0.250 0.000 0.689 658 G HN 1.500 nan 8.290 nan 0.000 0.522 659 G N -1.403 107.109 108.800 -0.479 0.000 2.159 659 G HA2 -0.184 3.776 3.960 0.000 0.000 0.227 659 G HA3 -0.184 3.776 3.960 0.000 0.000 0.227 659 G C 1.063 175.723 174.900 -0.400 0.000 0.986 659 G CA 0.587 45.380 45.100 -0.512 0.000 0.651 659 G HN 0.850 nan 8.290 nan 0.000 0.523 660 I N 1.671 122.006 120.570 -0.391 0.000 2.193 660 I HA 0.105 4.275 4.170 0.000 0.000 0.240 660 I C 1.818 177.828 176.117 -0.179 0.000 1.084 660 I CA 2.387 63.568 61.300 -0.199 0.000 1.365 660 I CB -1.629 36.317 38.000 -0.089 0.000 1.064 660 I HN 0.570 nan 8.210 nan 0.000 0.410 661 T N -2.664 111.695 114.554 -0.326 0.000 2.924 661 T HA 0.535 4.885 4.350 0.000 0.000 0.291 661 T C -1.189 173.239 174.700 -0.453 0.000 1.045 661 T CA -0.623 61.323 62.100 -0.257 0.000 1.015 661 T CB 2.229 70.964 68.868 -0.222 0.000 1.103 661 T HN 0.104 nan 8.240 nan 0.000 0.496 662 W N 0.032 121.318 121.300 -0.024 0.000 2.967 662 W HA 0.753 5.413 4.660 0.000 0.000 0.342 662 W C -0.022 176.555 176.519 0.098 0.000 1.162 662 W CA -0.817 56.560 57.345 0.053 0.000 1.085 662 W CB 2.034 31.531 29.460 0.062 0.000 1.460 662 W HN 0.804 nan 8.180 nan 0.000 0.584 663 S N 1.186 117.152 115.700 0.445 0.000 2.547 663 S HA 0.551 5.021 4.470 0.000 0.000 0.281 663 S C -1.515 173.253 174.600 0.281 0.000 1.118 663 S CA -0.742 57.627 58.200 0.282 0.000 0.947 663 S CB 0.686 63.974 63.200 0.146 0.000 1.053 663 S HN 0.552 nan 8.310 nan 0.000 0.482 664 L N 5.641 126.934 121.223 0.117 0.000 2.360 664 L HA 0.501 4.841 4.340 0.000 0.000 0.276 664 L C -0.903 175.851 176.870 -0.193 0.000 1.121 664 L CA -0.554 54.105 54.840 -0.301 0.000 0.845 664 L CB 0.303 42.215 42.059 -0.245 0.000 1.143 664 L HN 0.676 nan 8.230 nan 0.000 0.452 665 L N 5.921 126.989 121.223 -0.259 0.000 2.342 665 L HA 0.216 4.556 4.340 0.000 0.000 0.285 665 L C 0.630 177.425 176.870 -0.124 0.000 1.095 665 L CA -0.040 54.725 54.840 -0.124 0.000 0.843 665 L CB 0.598 42.608 42.059 -0.081 0.000 1.201 665 L HN 0.670 nan 8.230 nan 0.000 0.445 666 E N 3.881 124.033 120.200 -0.080 0.000 2.529 666 E HA -0.017 4.333 4.350 0.000 0.000 0.259 666 E C 1.013 177.559 176.600 -0.090 0.000 0.966 666 E CA 0.691 57.045 56.400 -0.077 0.000 0.937 666 E CB 0.526 30.192 29.700 -0.056 0.000 0.923 666 E HN 0.798 nan 8.360 nan 0.000 0.468 667 A N 3.922 126.675 122.820 -0.113 0.000 2.910 667 A HA -0.308 4.012 4.320 0.000 0.000 0.267 667 A C 0.349 177.864 177.584 -0.114 0.000 1.310 667 A CA 1.644 53.612 52.037 -0.115 0.000 0.934 667 A CB -2.230 16.714 19.000 -0.093 0.000 1.057 667 A HN 0.788 nan 8.150 nan 0.000 0.742 668 N N -0.122 118.507 118.700 -0.119 0.000 3.044 668 N HA 0.439 5.179 4.740 0.000 0.000 0.254 668 N C 0.115 175.537 175.510 -0.146 0.000 1.253 668 N CA 0.135 53.107 53.050 -0.130 0.000 0.944 668 N CB 0.076 38.507 38.487 -0.094 0.000 1.217 668 N HN 0.793 nan 8.380 nan 0.000 0.498 669 N N 0.341 118.950 118.700 -0.152 0.000 3.470 669 N HA 0.367 5.107 4.740 0.000 0.000 0.361 669 N C 0.907 176.350 175.510 -0.111 0.000 1.536 669 N CA -0.438 52.551 53.050 -0.101 0.000 0.642 669 N CB -0.195 38.256 38.487 -0.060 0.000 2.002 669 N HN 0.005 nan 8.380 nan 0.000 0.620 670 A N -0.683 122.120 122.820 -0.029 0.000 2.070 670 A HA -0.131 4.189 4.320 0.000 0.000 0.220 670 A C 1.326 178.890 177.584 -0.034 0.000 1.159 670 A CA 1.267 53.320 52.037 0.027 0.000 0.656 670 A CB -1.095 17.914 19.000 0.015 0.000 0.800 670 A HN 0.606 nan 8.150 nan 0.000 0.453 671 N N 0.344 118.989 118.700 -0.091 0.000 2.453 671 N HA -0.107 4.633 4.740 0.000 0.000 0.183 671 N C 1.641 177.059 175.510 -0.152 0.000 1.041 671 N CA 1.539 54.535 53.050 -0.089 0.000 0.900 671 N CB -0.262 38.182 38.487 -0.073 0.000 0.961 671 N HN 0.577 nan 8.380 nan 0.000 0.443 672 V N -2.474 117.237 119.914 -0.339 0.000 3.217 672 V HA 0.095 4.215 4.120 0.000 0.000 0.264 672 V C 0.279 176.065 176.094 -0.513 0.000 1.135 672 V CA 0.702 62.760 62.300 -0.405 0.000 1.142 672 V CB -0.972 30.551 31.823 -0.500 0.000 0.754 672 V HN -0.109 nan 8.190 nan 0.000 0.484 673 F N 1.925 121.670 119.950 -0.341 0.000 2.309 673 F HA 0.587 5.114 4.527 0.000 0.000 0.366 673 F C 0.953 176.731 175.800 -0.038 0.000 1.104 673 F CA -0.707 56.966 58.000 -0.545 0.000 1.179 673 F CB 0.680 38.959 39.000 -1.201 0.000 1.437 673 F HN 0.007 nan 8.300 nan 0.000 0.528 674 S N 3.392 119.357 115.700 0.442 0.000 2.552 674 S HA 0.015 4.485 4.470 0.000 0.000 0.289 674 S C 1.013 175.948 174.600 0.558 0.000 1.304 674 S CA 0.034 58.479 58.200 0.409 0.000 1.063 674 S CB -0.028 63.370 63.200 0.331 0.000 0.848 674 S HN 0.767 nan 8.310 nan 0.000 0.499 675 N N 1.163 120.068 118.700 0.342 0.000 2.741 675 N HA -0.193 4.547 4.740 0.000 0.000 0.250 675 N C -0.232 175.539 175.510 0.435 0.000 1.115 675 N CA 1.001 54.237 53.050 0.311 0.000 0.724 675 N CB -1.561 37.062 38.487 0.226 0.000 1.090 675 N HN 0.764 nan 8.380 nan 0.000 0.558 676 I N 0.216 121.033 120.570 0.412 0.000 2.662 676 I HA 0.093 4.263 4.170 0.000 0.000 0.291 676 I C 1.020 177.234 176.117 0.161 0.000 1.046 676 I CA -0.169 61.307 61.300 0.293 0.000 1.361 676 I CB 1.045 38.995 38.000 -0.083 0.000 1.429 676 I HN 0.163 nan 8.210 nan 0.000 0.558 677 S N 2.914 118.690 115.700 0.126 0.000 2.573 677 S HA 0.011 4.481 4.470 0.000 0.000 0.277 677 S C 1.134 175.758 174.600 0.039 0.000 1.346 677 S CA 0.189 58.435 58.200 0.076 0.000 1.034 677 S CB 0.721 63.956 63.200 0.058 0.000 0.879 677 S HN 0.765 nan 8.310 nan 0.000 0.528 678 T N 1.516 116.090 114.554 0.034 0.000 3.107 678 T HA 0.316 4.666 4.350 0.000 0.000 0.249 678 T C 0.801 175.506 174.700 0.008 0.000 1.096 678 T CA 0.063 62.175 62.100 0.020 0.000 1.012 678 T CB -0.247 68.635 68.868 0.024 0.000 0.977 678 T HN 0.666 nan 8.240 nan 0.000 0.527 679 G N 1.923 110.727 108.800 0.006 0.000 2.425 679 G HA2 0.490 4.450 3.960 0.000 0.000 0.302 679 G HA3 0.490 4.450 3.960 0.000 0.000 0.302 679 G C -0.026 174.861 174.900 -0.021 0.000 1.159 679 G CA -0.665 44.433 45.100 -0.004 0.000 0.865 679 G HN 0.394 nan 8.290 nan 0.000 0.515 680 T N -1.750 112.784 114.554 -0.034 0.000 2.901 680 T HA 0.493 4.843 4.350 0.000 0.000 0.301 680 T C -0.095 174.573 174.700 -0.053 0.000 1.012 680 T CA -0.519 61.547 62.100 -0.056 0.000 1.135 680 T CB 1.516 70.335 68.868 -0.081 0.000 0.936 680 T HN 1.207 nan 8.240 nan 0.000 0.539 681 V N 1.202 121.057 119.914 -0.099 0.000 3.234 681 V HA 0.376 4.496 4.120 0.000 0.000 0.280 681 V C -1.654 174.230 176.094 -0.350 0.000 1.580 681 V CA -1.063 61.150 62.300 -0.146 0.000 1.032 681 V CB 2.340 34.126 31.823 -0.061 0.000 1.203 681 V HN 1.170 nan 8.190 nan 0.000 0.459 682 D N 2.429 122.363 120.400 -0.777 0.000 2.372 682 D HA 0.700 5.340 4.640 0.000 0.000 0.243 682 D C 0.106 176.096 176.300 -0.516 0.000 1.121 682 D CA 1.067 54.605 54.000 -0.769 0.000 0.898 682 D CB 1.752 41.780 40.800 -1.287 0.000 1.202 682 D HN 1.055 nan 8.370 nan 0.000 0.428 683 A N 1.987 124.563 122.820 -0.407 0.000 2.470 683 A HA 0.778 5.098 4.320 0.000 0.000 0.271 683 A C -0.829 176.515 177.584 -0.401 0.000 1.269 683 A CA -0.590 51.155 52.037 -0.486 0.000 0.828 683 A CB 1.605 20.242 19.000 -0.605 0.000 1.374 683 A HN 0.472 nan 8.150 nan 0.000 0.454 684 S N -1.095 114.296 115.700 -0.515 0.000 2.541 684 S HA 0.719 5.189 4.470 0.000 0.000 0.271 684 S C -1.587 172.897 174.600 -0.194 0.000 1.133 684 S CA -0.379 57.661 58.200 -0.267 0.000 0.876 684 S CB 1.020 64.136 63.200 -0.140 0.000 1.105 684 S HN 1.099 nan 8.310 nan 0.000 0.470 685 I N 2.402 122.989 120.570 0.028 0.000 2.722 685 I HA 0.712 4.882 4.170 0.000 0.000 0.295 685 I C -1.028 175.235 176.117 0.244 0.000 1.161 685 I CA 0.092 61.526 61.300 0.223 0.000 1.032 685 I CB 2.309 40.513 38.000 0.340 0.000 1.244 685 I HN 0.719 nan 8.210 nan 0.000 0.421 686 T N 5.260 119.979 114.554 0.276 0.000 2.786 686 T HA 0.361 4.712 4.350 0.000 0.000 0.316 686 T C -1.530 173.271 174.700 0.169 0.000 1.503 686 T CA -0.652 61.581 62.100 0.222 0.000 1.019 686 T CB 1.651 70.625 68.868 0.177 0.000 1.415 686 T HN 0.747 nan 8.240 nan 0.000 0.496 687 R N 1.704 122.246 120.500 0.069 0.000 2.457 687 R HA 0.662 5.002 4.340 0.000 0.000 0.284 687 R C -1.550 174.744 176.300 -0.011 0.000 1.024 687 R CA -0.446 55.678 56.100 0.040 0.000 1.025 687 R CB 0.670 30.958 30.300 -0.020 0.000 1.063 687 R HN 0.529 nan 8.270 nan 0.000 0.493 688 F N 2.549 122.367 119.950 -0.219 0.000 2.507 688 F HA 0.306 4.833 4.527 0.000 0.000 0.328 688 F C -0.967 174.576 175.800 -0.429 0.000 1.136 688 F CA -0.588 57.202 58.000 -0.350 0.000 0.930 688 F CB 1.741 40.461 39.000 -0.467 0.000 1.166 688 F HN 0.624 nan 8.300 nan 0.000 0.436 689 E N 5.481 125.265 120.200 -0.692 0.000 2.176 689 E HA 0.333 4.683 4.350 0.000 0.000 0.267 689 E C -1.121 175.199 176.600 -0.467 0.000 0.893 689 E CA -0.594 55.568 56.400 -0.398 0.000 0.761 689 E CB 1.320 30.877 29.700 -0.238 0.000 1.133 689 E HN 0.711 nan 8.360 nan 0.000 0.409 690 Q N 1.215 120.917 119.800 -0.164 0.000 2.249 690 Q HA 0.161 4.501 4.340 0.000 0.000 0.226 690 Q C 1.144 177.124 176.000 -0.035 0.000 0.983 690 Q CA 0.014 55.799 55.803 -0.030 0.000 0.930 690 Q CB 1.225 30.064 28.738 0.168 0.000 1.193 690 Q HN 0.761 nan 8.270 nan 0.000 0.508 691 S N -0.087 115.610 115.700 -0.004 0.000 2.442 691 S HA -0.153 4.317 4.470 0.000 0.000 0.236 691 S C 1.068 175.675 174.600 0.011 0.000 1.007 691 S CA 1.457 59.653 58.200 -0.008 0.000 0.965 691 S CB -0.166 63.035 63.200 0.001 0.000 0.773 691 S HN 0.800 nan 8.310 nan 0.000 0.504 692 D N 0.393 120.814 120.400 0.035 0.000 2.349 692 D HA 0.166 4.806 4.640 0.000 0.000 0.224 692 D C 1.490 177.815 176.300 0.041 0.000 1.029 692 D CA 0.803 54.827 54.000 0.040 0.000 0.879 692 D CB -0.334 40.499 40.800 0.056 0.000 0.906 692 D HN 0.599 nan 8.370 nan 0.000 0.528 693 G N 0.809 109.631 108.800 0.037 0.000 2.254 693 G HA2 -0.311 3.649 3.960 0.000 0.000 0.225 693 G HA3 -0.311 3.649 3.960 0.000 0.000 0.225 693 G C 0.503 175.455 174.900 0.087 0.000 1.003 693 G CA 0.356 45.484 45.100 0.046 0.000 0.622 693 G HN 0.756 nan 8.290 nan 0.000 0.507 694 S N 0.725 116.483 115.700 0.098 0.000 2.576 694 S HA 0.563 5.033 4.470 0.000 0.000 0.272 694 S C -0.013 174.671 174.600 0.140 0.000 1.352 694 S CA 0.865 59.137 58.200 0.120 0.000 1.021 694 S CB 1.029 64.319 63.200 0.149 0.000 0.887 694 S HN 2.066 nan 8.310 nan 0.000 0.542 695 H N -1.309 117.833 119.070 0.121 0.000 3.017 695 H HA 0.801 5.357 4.556 0.000 0.000 0.346 695 H C -0.886 174.550 175.328 0.180 0.000 1.286 695 H CA -1.259 54.781 56.048 -0.013 0.000 1.120 695 H CB 0.734 30.473 29.762 -0.040 0.000 1.860 695 H HN 0.790 nan 8.280 nan 0.000 0.542 696 F N -1.425 118.697 119.950 0.287 0.000 2.858 696 F HA 0.595 5.122 4.527 0.000 0.000 0.319 696 F C -2.250 173.631 175.800 0.136 0.000 1.166 696 F CA -1.537 56.536 58.000 0.121 0.000 0.899 696 F CB 0.852 39.831 39.000 -0.035 0.000 1.332 696 F HN 0.566 nan 8.300 nan 0.000 0.461 697 L N 2.193 123.576 121.223 0.267 0.000 2.344 697 L HA 0.730 5.070 4.340 0.000 0.000 0.272 697 L C -0.800 176.271 176.870 0.336 0.000 1.035 697 L CA -0.972 54.015 54.840 0.246 0.000 0.807 697 L CB 1.770 43.917 42.059 0.146 0.000 1.237 697 L HN 0.545 nan 8.230 nan 0.000 0.442 698 L N 1.964 123.407 121.223 0.366 0.000 2.362 698 L HA 0.581 4.921 4.340 0.000 0.000 0.271 698 L C -1.209 175.920 176.870 0.432 0.000 1.002 698 L CA -0.488 54.509 54.840 0.261 0.000 0.818 698 L CB 2.334 44.428 42.059 0.058 0.000 1.298 698 L HN 0.403 nan 8.230 nan 0.000 0.420 699 F N 1.549 121.613 119.950 0.190 0.000 2.581 699 F HA 0.625 5.152 4.527 0.000 0.000 0.311 699 F C -0.493 175.343 175.800 0.059 0.000 1.113 699 F CA -0.248 57.754 58.000 0.004 0.000 0.935 699 F CB 2.117 40.888 39.000 -0.381 0.000 1.232 699 F HN 0.467 nan 8.300 nan 0.000 0.445 700 T N 2.531 116.676 114.554 -0.681 0.000 2.876 700 T HA 0.719 5.069 4.350 0.000 0.000 0.289 700 T C -1.218 173.060 174.700 -0.703 0.000 1.014 700 T CA -0.748 61.120 62.100 -0.387 0.000 0.986 700 T CB 1.779 70.542 68.868 -0.174 0.000 1.021 700 T HN 0.855 nan 8.240 nan 0.000 0.458 701 N N 1.520 120.091 118.700 -0.215 0.000 3.171 701 N HA 0.453 5.193 4.740 0.000 0.000 0.239 701 N C -3.250 172.326 175.510 0.109 0.000 1.275 701 N CA -1.135 51.794 53.050 -0.201 0.000 0.920 701 N CB 1.926 40.164 38.487 -0.415 0.000 1.554 701 N HN 0.354 nan 8.380 nan 0.000 0.504 702 P HA 0.142 nan 4.420 nan 0.000 0.269 702 P C -0.404 177.014 177.300 0.197 0.000 1.215 702 P CA 0.170 63.334 63.100 0.106 0.000 0.780 702 P CB 0.600 32.337 31.700 0.063 0.000 0.898 703 Q N 0.912 120.820 119.800 0.180 0.000 2.392 703 Q HA 0.261 4.601 4.340 0.000 0.000 0.219 703 Q C 0.744 176.823 176.000 0.132 0.000 0.895 703 Q CA 0.418 56.349 55.803 0.213 0.000 0.929 703 Q CB 0.165 28.977 28.738 0.124 0.000 1.077 703 Q HN 0.783 nan 8.270 nan 0.000 0.532 704 G N 1.982 110.836 108.800 0.090 0.000 2.746 704 G HA2 -0.252 3.708 3.960 0.000 0.000 0.685 704 G HA3 -0.252 3.708 3.960 0.000 0.000 0.685 704 G C -0.986 173.944 174.900 0.051 0.000 1.350 704 G CA -0.382 44.756 45.100 0.064 0.000 0.837 704 G HN 0.305 nan 8.290 nan 0.000 0.564 705 N N 0.764 119.487 118.700 0.039 0.000 2.558 705 N HA 0.554 5.294 4.740 0.000 0.000 0.285 705 N C -2.531 172.995 175.510 0.026 0.000 1.112 705 N CA -1.316 51.751 53.050 0.029 0.000 0.857 705 N CB 1.563 40.063 38.487 0.022 0.000 1.376 705 N HN 0.458 nan 8.380 nan 0.000 0.526 706 P HA 0.118 nan 4.420 nan 0.000 0.270 706 P C -0.752 176.573 177.300 0.040 0.000 1.223 706 P CA -0.418 62.699 63.100 0.028 0.000 0.785 706 P CB 0.557 32.273 31.700 0.026 0.000 0.923 707 A N 1.434 124.280 122.820 0.043 0.000 2.546 707 A HA 0.421 4.742 4.320 0.000 0.000 0.243 707 A C 1.401 179.031 177.584 0.077 0.000 1.063 707 A CA 0.684 52.761 52.037 0.066 0.000 0.757 707 A CB -1.252 17.785 19.000 0.061 0.000 0.991 707 A HN 0.947 nan 8.150 nan 0.000 0.503 708 G N 1.461 110.320 108.800 0.098 0.000 2.176 708 G HA2 -0.113 3.847 3.960 0.000 0.000 0.232 708 G HA3 -0.113 3.847 3.960 0.000 0.000 0.232 708 G C 0.461 175.399 174.900 0.063 0.000 0.986 708 G CA 0.983 46.136 45.100 0.089 0.000 0.643 708 G HN 2.101 nan 8.290 nan 0.000 0.522 709 T N -2.048 112.539 114.554 0.056 0.000 2.919 709 T HA 0.647 4.997 4.350 0.000 0.000 0.282 709 T C -0.074 174.649 174.700 0.039 0.000 1.020 709 T CA -0.371 61.754 62.100 0.041 0.000 0.994 709 T CB 1.942 70.831 68.868 0.034 0.000 1.180 709 T HN 0.199 nan 8.240 nan 0.000 0.566 710 N N 0.370 119.088 118.700 0.030 0.000 2.411 710 N HA 0.517 5.257 4.740 0.000 0.000 0.259 710 N C -0.289 175.237 175.510 0.027 0.000 1.103 710 N CA 0.251 53.316 53.050 0.025 0.000 0.954 710 N CB 0.458 38.955 38.487 0.018 0.000 1.085 710 N HN 1.167 nan 8.380 nan 0.000 0.485 711 G N 2.593 111.411 108.800 0.030 0.000 2.443 711 G HA2 0.124 4.084 3.960 0.000 0.000 0.303 711 G HA3 0.124 4.084 3.960 0.000 0.000 0.303 711 G C -1.026 173.897 174.900 0.039 0.000 1.613 711 G CA -0.888 44.231 45.100 0.032 0.000 0.879 711 G HN 0.528 nan 8.290 nan 0.000 0.632 712 R N 1.937 122.461 120.500 0.040 0.000 3.657 712 R HA 0.301 4.641 4.340 0.000 0.000 0.220 712 R C -0.256 176.075 176.300 0.052 0.000 1.548 712 R CA -0.229 55.902 56.100 0.050 0.000 1.465 712 R CB 0.339 30.673 30.300 0.057 0.000 1.330 712 R HN 0.443 nan 8.270 nan 0.000 0.707 713 Q N 0.755 120.586 119.800 0.052 0.000 2.456 713 Q HA 0.239 4.579 4.340 0.000 0.000 0.283 713 Q C -0.562 175.468 176.000 0.050 0.000 1.084 713 Q CA -1.219 54.613 55.803 0.048 0.000 0.801 713 Q CB 1.696 30.456 28.738 0.037 0.000 1.434 713 Q HN 0.318 nan 8.270 nan 0.000 0.419 714 N N 0.717 119.440 118.700 0.039 0.000 2.584 714 N HA -0.218 4.522 4.740 0.000 0.000 0.291 714 N C -0.620 174.912 175.510 0.037 0.000 1.203 714 N CA 0.321 53.386 53.050 0.026 0.000 0.735 714 N CB -1.057 37.436 38.487 0.009 0.000 0.936 714 N HN 0.551 nan 8.380 nan 0.000 0.549 715 L N 0.616 121.869 121.223 0.049 0.000 2.540 715 L HA 0.331 4.671 4.340 0.000 0.000 0.276 715 L C 1.216 178.089 176.870 0.006 0.000 1.212 715 L CA 0.792 55.663 54.840 0.051 0.000 0.893 715 L CB 0.266 42.360 42.059 0.059 0.000 1.138 715 L HN 0.485 nan 8.230 nan 0.000 0.491 716 G N 4.593 113.398 108.800 0.008 0.000 2.511 716 G HA2 0.583 4.543 3.960 0.000 0.000 0.318 716 G HA3 0.583 4.543 3.960 0.000 0.000 0.318 716 G C -1.870 172.933 174.900 -0.162 0.000 1.210 716 G CA -0.672 44.290 45.100 -0.230 0.000 0.969 716 G HN 0.663 nan 8.290 nan 0.000 0.484 717 L N 0.689 121.744 121.223 -0.280 0.000 2.372 717 L HA 0.636 4.976 4.340 0.000 0.000 0.274 717 L C -1.067 175.814 176.870 0.018 0.000 0.988 717 L CA -1.100 53.720 54.840 -0.034 0.000 0.833 717 L CB 1.004 43.045 42.059 -0.030 0.000 1.236 717 L HN 0.561 nan 8.230 nan 0.000 0.410 718 W N 4.382 125.817 121.300 0.224 0.000 2.578 718 W HA 0.472 5.132 4.660 0.000 0.000 0.346 718 W C -1.081 175.708 176.519 0.450 0.000 1.075 718 W CA -0.455 57.166 57.345 0.461 0.000 1.233 718 W CB 1.887 31.656 29.460 0.515 0.000 1.358 718 W HN 0.304 nan 8.180 nan 0.000 0.574 719 F N 0.987 121.277 119.950 0.567 0.000 2.532 719 F HA 0.329 4.856 4.527 0.000 0.000 0.321 719 F C 0.273 175.966 175.800 -0.178 0.000 1.089 719 F CA -1.014 57.048 58.000 0.104 0.000 0.926 719 F CB 1.976 40.760 39.000 -0.360 0.000 1.168 719 F HN -0.052 nan 8.300 nan 0.000 0.459 720 S N 2.248 117.646 115.700 -0.502 0.000 2.659 720 S HA 0.516 4.986 4.470 0.000 0.000 0.312 720 S C -0.466 173.760 174.600 -0.623 0.000 1.114 720 S CA -0.403 57.282 58.200 -0.858 0.000 1.063 720 S CB 0.104 62.254 63.200 -1.751 0.000 0.996 720 S HN 0.463 nan 8.310 nan 0.000 0.478 721 F N 2.331 122.206 119.950 -0.125 0.000 2.664 721 F HA 0.278 4.806 4.527 0.000 0.000 0.303 721 F C 0.867 176.621 175.800 -0.078 0.000 1.092 721 F CA -0.497 57.472 58.000 -0.052 0.000 1.305 721 F CB 0.533 39.489 39.000 -0.074 0.000 1.054 721 F HN 0.547 nan 8.300 nan 0.000 0.565 722 D N -1.754 118.635 120.400 -0.019 0.000 2.819 722 D HA 0.088 4.728 4.640 0.000 0.000 0.326 722 D C 0.070 176.340 176.300 -0.051 0.000 1.408 722 D CA -0.253 53.734 54.000 -0.020 0.000 0.811 722 D CB -0.330 40.455 40.800 -0.025 0.000 1.148 722 D HN -0.053 nan 8.370 nan 0.000 0.457 723 E N -0.073 120.107 120.200 -0.035 0.000 2.637 723 E HA -0.175 4.175 4.350 0.000 0.000 0.265 723 E C 1.129 177.692 176.600 -0.060 0.000 1.073 723 E CA 0.999 57.401 56.400 0.002 0.000 0.778 723 E CB -2.001 27.730 29.700 0.051 0.000 1.362 723 E HN 0.877 nan 8.360 nan 0.000 0.413 724 G N -1.535 107.117 108.800 -0.246 0.000 2.141 724 G HA2 -0.378 3.582 3.960 0.000 0.000 0.242 724 G HA3 -0.378 3.582 3.960 0.000 0.000 0.242 724 G C 0.974 175.784 174.900 -0.150 0.000 0.982 724 G CA 0.394 45.352 45.100 -0.237 0.000 0.662 724 G HN 0.336 nan 8.290 nan 0.000 0.527 725 V N 0.671 120.485 119.914 -0.167 0.000 2.323 725 V HA 0.182 4.302 4.120 0.000 0.000 0.244 725 V C 1.780 177.810 176.094 -0.107 0.000 1.041 725 V CA 2.639 64.884 62.300 -0.092 0.000 1.025 725 V CB -0.189 31.597 31.823 -0.062 0.000 0.656 725 V HN 1.160 nan 8.190 nan 0.000 0.451 726 T N -3.703 110.734 114.554 -0.194 0.000 2.896 726 T HA 0.569 4.919 4.350 0.000 0.000 0.297 726 T C -1.649 172.889 174.700 -0.270 0.000 1.108 726 T CA -0.704 61.331 62.100 -0.109 0.000 1.004 726 T CB 2.088 70.942 68.868 -0.023 0.000 1.159 726 T HN 0.170 nan 8.240 nan 0.000 0.499 727 W N 0.847 122.141 121.300 -0.011 0.000 2.819 727 W HA 0.673 5.333 4.660 0.000 0.000 0.337 727 W C -0.370 176.294 176.519 0.241 0.000 1.077 727 W CA -0.847 56.568 57.345 0.118 0.000 1.226 727 W CB 1.958 31.470 29.460 0.088 0.000 1.419 727 W HN 0.407 nan 8.180 nan 0.000 0.502 728 K N 1.902 122.612 120.400 0.516 0.000 2.164 728 K HA 0.869 5.189 4.320 0.000 0.000 0.258 728 K C 0.346 177.212 176.600 0.443 0.000 0.951 728 K CA -0.511 56.016 56.287 0.400 0.000 0.844 728 K CB 1.425 34.113 32.500 0.313 0.000 1.099 728 K HN 0.741 nan 8.250 nan 0.000 0.435 729 G N 2.277 111.222 108.800 0.242 0.000 2.280 729 G HA2 -0.055 3.905 3.960 0.000 0.000 0.277 729 G HA3 -0.055 3.905 3.960 0.000 0.000 0.277 729 G C -3.076 171.745 174.900 -0.131 0.000 1.288 729 G CA -0.863 44.244 45.100 0.012 0.000 1.075 729 G HN 0.434 nan 8.290 nan 0.000 0.480 730 P HA 0.664 nan 4.420 nan 0.000 0.283 730 P C -0.603 176.465 177.300 -0.387 0.000 1.271 730 P CA -0.591 61.968 63.100 -0.900 0.000 0.841 730 P CB 1.591 32.156 31.700 -1.891 0.000 1.122 731 I N 1.252 121.674 120.570 -0.247 0.000 2.321 731 I HA 0.213 4.383 4.170 0.000 0.000 0.291 731 I C 0.988 177.013 176.117 -0.153 0.000 0.998 731 I CA -0.654 60.576 61.300 -0.116 0.000 1.227 731 I CB 1.130 39.146 38.000 0.026 0.000 1.368 731 I HN 0.345 nan 8.210 nan 0.000 0.466 732 Q N 5.885 125.600 119.800 -0.142 0.000 2.286 732 Q HA 0.193 4.534 4.340 0.000 0.000 0.267 732 Q C 0.187 176.134 176.000 -0.088 0.000 1.028 732 Q CA 0.029 55.759 55.803 -0.121 0.000 0.901 732 Q CB 0.923 29.596 28.738 -0.108 0.000 1.183 732 Q HN 0.730 nan 8.270 nan 0.000 0.392 733 L N 3.287 124.479 121.223 -0.051 0.000 2.515 733 L HA 0.246 4.586 4.340 0.000 0.000 0.223 733 L C -0.167 176.722 176.870 0.033 0.000 1.079 733 L CA 0.064 54.899 54.840 -0.009 0.000 0.857 733 L CB 0.806 42.877 42.059 0.020 0.000 1.050 733 L HN 0.357 nan 8.230 nan 0.000 0.476 734 V N -0.141 119.789 119.914 0.027 0.000 2.789 734 V HA 0.299 4.419 4.120 0.000 0.000 0.311 734 V C -1.076 174.996 176.094 -0.037 0.000 1.073 734 V CA -0.722 61.606 62.300 0.047 0.000 0.921 734 V CB 2.130 34.050 31.823 0.161 0.000 1.009 734 V HN 0.099 nan 8.190 nan 0.000 0.426 735 N N 2.552 121.176 118.700 -0.127 0.000 2.706 735 N HA 0.695 5.435 4.740 0.000 0.000 0.240 735 N C -0.110 175.323 175.510 -0.129 0.000 1.039 735 N CA 0.877 53.859 53.050 -0.113 0.000 0.888 735 N CB 1.147 39.565 38.487 -0.115 0.000 1.128 735 N HN 1.166 nan 8.380 nan 0.000 0.512 736 G N 1.006 109.775 108.800 -0.050 0.000 2.302 736 G HA2 0.361 4.321 3.960 0.000 0.000 0.264 736 G HA3 0.361 4.321 3.960 0.000 0.000 0.264 736 G C -1.162 173.759 174.900 0.035 0.000 1.335 736 G CA -0.382 44.707 45.100 -0.018 0.000 0.982 736 G HN 0.641 nan 8.290 nan 0.000 0.473 737 A N -0.611 122.247 122.820 0.063 0.000 2.565 737 A HA 0.573 4.893 4.320 0.000 0.000 0.237 737 A C 0.576 178.223 177.584 0.105 0.000 1.053 737 A CA 1.528 53.611 52.037 0.078 0.000 0.755 737 A CB -0.105 18.943 19.000 0.080 0.000 0.980 737 A HN 1.902 nan 8.150 nan 0.000 0.506 738 S N 0.602 116.354 115.700 0.087 0.000 2.653 738 S HA 0.579 5.049 4.470 0.000 0.000 0.268 738 S C 0.205 174.855 174.600 0.084 0.000 1.153 738 S CA 0.033 58.289 58.200 0.093 0.000 1.036 738 S CB 1.367 64.619 63.200 0.087 0.000 1.103 738 S HN 1.403 nan 8.310 nan 0.000 0.466 739 A N 2.332 125.211 122.820 0.099 0.000 3.132 739 A HA 0.804 5.124 4.320 0.000 0.000 0.202 739 A C -0.918 176.793 177.584 0.212 0.000 1.689 739 A CA -0.168 51.958 52.037 0.149 0.000 1.770 739 A CB -0.276 18.803 19.000 0.131 0.000 1.510 739 A HN 0.593 nan 8.150 nan 0.000 0.470 740 Y N 1.344 121.626 120.300 -0.030 0.000 2.497 740 Y HA 0.406 4.956 4.550 0.000 0.000 0.334 740 Y C 1.115 176.996 175.900 -0.033 0.000 1.199 740 Y CA 0.128 58.203 58.100 -0.042 0.000 1.425 740 Y CB 0.427 38.865 38.460 -0.037 0.000 1.291 740 Y HN 0.640 nan 8.280 nan 0.000 0.562 741 S N 0.776 116.513 115.700 0.061 0.000 2.625 741 S HA 0.698 5.168 4.470 0.000 0.000 0.271 741 S C -1.828 172.779 174.600 0.012 0.000 1.161 741 S CA -0.975 57.245 58.200 0.033 0.000 0.820 741 S CB 2.970 66.163 63.200 -0.012 0.000 1.137 741 S HN 0.476 nan 8.310 nan 0.000 0.470 742 D N -0.092 120.345 120.400 0.063 0.000 2.977 742 D HA 0.559 5.199 4.640 0.000 0.000 0.220 742 D C -1.599 174.805 176.300 0.173 0.000 1.267 742 D CA -0.303 53.770 54.000 0.122 0.000 0.884 742 D CB 1.730 42.648 40.800 0.197 0.000 1.667 742 D HN 0.771 nan 8.370 nan 0.000 0.536 743 I N 3.210 123.908 120.570 0.212 0.000 2.530 743 I HA 0.654 4.824 4.170 0.000 0.000 0.297 743 I C -1.797 174.520 176.117 0.334 0.000 1.011 743 I CA -0.782 60.649 61.300 0.218 0.000 1.107 743 I CB 1.318 39.392 38.000 0.123 0.000 1.285 743 I HN 0.458 nan 8.210 nan 0.000 0.436 744 Y N 5.081 125.453 120.300 0.121 0.000 2.513 744 Y HA 0.265 4.815 4.550 0.000 0.000 0.340 744 Y C -0.719 175.232 175.900 0.085 0.000 1.055 744 Y CA -0.650 57.480 58.100 0.050 0.000 1.020 744 Y CB 1.663 40.091 38.460 -0.054 0.000 1.301 744 Y HN 0.565 nan 8.280 nan 0.000 0.453 745 Q N 4.178 123.943 119.800 -0.060 0.000 2.297 745 Q HA 0.186 4.526 4.340 0.000 0.000 0.267 745 Q C -0.441 175.650 176.000 0.151 0.000 1.006 745 Q CA -0.019 55.833 55.803 0.082 0.000 0.896 745 Q CB 1.103 29.748 28.738 -0.154 0.000 1.186 745 Q HN 0.895 nan 8.270 nan 0.000 0.392 746 L N 4.067 125.381 121.223 0.152 0.000 2.200 746 L HA 0.207 4.547 4.340 0.000 0.000 0.200 746 L C -0.394 176.489 176.870 0.021 0.000 1.072 746 L CA 1.816 56.711 54.840 0.093 0.000 0.787 746 L CB 0.150 42.264 42.059 0.090 0.000 0.957 746 L HN 0.982 nan 8.230 nan 0.000 0.459 747 D N -4.386 116.026 120.400 0.020 0.000 2.838 747 D HA 0.133 4.773 4.640 0.000 0.000 0.334 747 D C 0.629 176.884 176.300 -0.076 0.000 1.315 747 D CA 0.176 54.155 54.000 -0.035 0.000 0.917 747 D CB 0.196 40.989 40.800 -0.011 0.000 1.435 747 D HN -0.122 nan 8.370 nan 0.000 0.517 748 S N -1.160 114.491 115.700 -0.081 0.000 2.465 748 S HA -0.178 4.292 4.470 0.000 0.000 0.241 748 S C 0.754 175.421 174.600 0.113 0.000 1.000 748 S CA 1.328 59.470 58.200 -0.097 0.000 0.964 748 S CB -0.562 62.609 63.200 -0.049 0.000 0.763 748 S HN 0.557 nan 8.310 nan 0.000 0.512 749 E N 0.040 120.364 120.200 0.207 0.000 2.541 749 E HA 0.255 4.605 4.350 0.000 0.000 0.219 749 E C -0.604 176.198 176.600 0.336 0.000 0.922 749 E CA -0.188 56.395 56.400 0.306 0.000 1.095 749 E CB 0.366 30.145 29.700 0.132 0.000 1.112 749 E HN 0.553 nan 8.360 nan 0.000 0.516 750 N N 0.257 119.155 118.700 0.330 0.000 2.321 750 N HA 0.593 5.333 4.740 0.000 0.000 0.290 750 N C -1.420 174.296 175.510 0.343 0.000 1.212 750 N CA -0.584 52.616 53.050 0.250 0.000 0.767 750 N CB 2.094 40.656 38.487 0.125 0.000 1.494 750 N HN 0.024 nan 8.380 nan 0.000 0.479 751 A N 0.563 123.519 122.820 0.226 0.000 2.401 751 A HA 0.732 5.052 4.320 0.000 0.000 0.310 751 A C -1.155 176.520 177.584 0.152 0.000 1.075 751 A CA -0.598 51.573 52.037 0.223 0.000 0.746 751 A CB 0.701 19.805 19.000 0.173 0.000 1.277 751 A HN 0.731 nan 8.150 nan 0.000 0.425 752 I N 2.106 122.778 120.570 0.169 0.000 2.441 752 I HA 0.648 4.818 4.170 0.000 0.000 0.295 752 I C -1.270 174.939 176.117 0.154 0.000 0.994 752 I CA -0.743 60.647 61.300 0.150 0.000 1.144 752 I CB 1.614 39.711 38.000 0.162 0.000 1.314 752 I HN 0.379 nan 8.210 nan 0.000 0.445 753 V N 8.197 128.182 119.914 0.118 0.000 2.604 753 V HA 0.474 4.595 4.120 0.000 0.000 0.305 753 V C -0.370 175.772 176.094 0.080 0.000 1.043 753 V CA -0.668 61.693 62.300 0.102 0.000 0.888 753 V CB 1.898 33.763 31.823 0.071 0.000 0.995 753 V HN 0.593 nan 8.190 nan 0.000 0.429 754 I N 4.673 125.292 120.570 0.081 0.000 2.406 754 I HA 0.804 4.974 4.170 0.000 0.000 0.290 754 I C -1.306 174.843 176.117 0.052 0.000 0.999 754 I CA -0.563 60.766 61.300 0.048 0.000 1.124 754 I CB 1.669 39.709 38.000 0.067 0.000 1.289 754 I HN 0.506 nan 8.210 nan 0.000 0.441 755 V N 6.994 126.924 119.914 0.026 0.000 2.888 755 V HA 0.439 4.559 4.120 0.000 0.000 0.309 755 V C -0.806 175.309 176.094 0.034 0.000 1.114 755 V CA -0.437 61.890 62.300 0.044 0.000 0.940 755 V CB 2.405 34.260 31.823 0.053 0.000 1.021 755 V HN 0.811 nan 8.190 nan 0.000 0.426 756 E N 3.696 123.930 120.200 0.057 0.000 2.316 756 E HA 0.435 4.785 4.350 0.000 0.000 0.275 756 E C 0.142 176.776 176.600 0.057 0.000 1.029 756 E CA 0.296 56.718 56.400 0.037 0.000 0.871 756 E CB 1.421 31.134 29.700 0.021 0.000 1.022 756 E HN 0.934 nan 8.360 nan 0.000 0.418 757 T N -1.158 113.429 114.554 0.055 0.000 2.101 757 T HA 0.057 4.407 4.350 0.000 0.000 0.186 757 T C -0.162 174.593 174.700 0.092 0.000 0.743 757 T CA -0.823 61.344 62.100 0.111 0.000 1.232 757 T CB -0.218 68.767 68.868 0.194 0.000 2.686 757 T HN 0.496 nan 8.240 nan 0.000 0.449 758 D N 2.096 122.570 120.400 0.123 0.000 2.472 758 D HA 0.005 4.645 4.640 0.000 0.000 0.248 758 D C -0.203 176.126 176.300 0.049 0.000 1.174 758 D CA -0.050 54.003 54.000 0.089 0.000 0.883 758 D CB -0.174 40.693 40.800 0.111 0.000 1.149 758 D HN 0.585 nan 8.370 nan 0.000 0.488 759 N N 1.788 120.506 118.700 0.031 0.000 2.708 759 N HA -0.257 4.483 4.740 0.000 0.000 0.249 759 N C -0.236 175.271 175.510 -0.004 0.000 1.097 759 N CA 1.099 54.154 53.050 0.010 0.000 0.710 759 N CB -1.215 37.278 38.487 0.011 0.000 1.032 759 N HN 0.639 nan 8.380 nan 0.000 0.551 760 S N -2.591 113.107 115.700 -0.003 0.000 2.929 760 S HA -0.204 4.266 4.470 0.000 0.000 0.271 760 S C 0.185 174.778 174.600 -0.012 0.000 1.295 760 S CA 0.731 58.919 58.200 -0.021 0.000 1.277 760 S CB -0.783 62.383 63.200 -0.057 0.000 1.557 760 S HN 0.557 nan 8.310 nan 0.000 0.666 761 N N 1.468 120.168 118.700 -0.001 0.000 2.359 761 N HA 0.157 4.897 4.740 0.000 0.000 0.261 761 N C -0.050 175.446 175.510 -0.022 0.000 1.267 761 N CA 0.907 53.951 53.050 -0.010 0.000 0.864 761 N CB 0.097 38.576 38.487 -0.013 0.000 1.063 761 N HN 0.518 nan 8.380 nan 0.000 0.474 762 M N 2.880 122.472 119.600 -0.013 0.000 2.108 762 M HA 0.248 4.729 4.480 0.000 0.000 0.354 762 M C 0.537 176.765 176.300 -0.119 0.000 1.229 762 M CA 0.018 55.307 55.300 -0.019 0.000 1.081 762 M CB 1.055 33.709 32.600 0.089 0.000 1.606 762 M HN 0.145 nan 8.290 nan 0.000 0.467 763 R N 2.454 122.861 120.500 -0.155 0.000 2.787 763 R HA 0.684 5.024 4.340 0.000 0.000 0.271 763 R C -0.961 175.231 176.300 -0.180 0.000 0.993 763 R CA -0.966 54.985 56.100 -0.248 0.000 0.993 763 R CB 1.890 31.921 30.300 -0.449 0.000 1.155 763 R HN 0.532 nan 8.270 nan 0.000 0.486 764 I N 3.376 123.845 120.570 -0.168 0.000 2.354 764 I HA 0.344 4.514 4.170 0.000 0.000 0.292 764 I C -0.357 175.751 176.117 -0.015 0.000 0.989 764 I CA -0.436 60.832 61.300 -0.054 0.000 1.188 764 I CB 1.292 39.311 38.000 0.033 0.000 1.342 764 I HN 0.399 nan 8.210 nan 0.000 0.457 765 L N 6.774 128.015 121.223 0.030 0.000 2.362 765 L HA 0.560 4.900 4.340 0.000 0.000 0.275 765 L C 0.007 176.918 176.870 0.068 0.000 0.998 765 L CA -0.757 54.114 54.840 0.051 0.000 0.820 765 L CB 1.878 43.974 42.059 0.062 0.000 1.270 765 L HN 0.442 nan 8.230 nan 0.000 0.415 766 R N 4.160 124.697 120.500 0.061 0.000 2.312 766 R HA 0.511 4.851 4.340 0.000 0.000 0.310 766 R C -1.068 175.262 176.300 0.049 0.000 1.064 766 R CA -0.745 55.391 56.100 0.060 0.000 0.983 766 R CB 1.437 31.764 30.300 0.045 0.000 1.139 766 R HN 0.463 nan 8.270 nan 0.000 0.536 767 M N 4.374 124.005 119.600 0.052 0.000 2.188 767 M HA 0.286 4.766 4.480 0.000 0.000 0.357 767 M C -2.135 174.180 176.300 0.024 0.000 1.204 767 M CA -3.021 52.299 55.300 0.034 0.000 1.095 767 M CB 1.152 33.771 32.600 0.032 0.000 1.604 767 M HN 0.146 nan 8.290 nan 0.000 0.464 768 P HA 0.151 nan 4.420 nan 0.000 0.256 768 P C 0.708 177.985 177.300 -0.038 0.000 1.689 768 P CA -0.265 62.818 63.100 -0.029 0.000 1.124 768 P CB 0.115 31.759 31.700 -0.094 0.000 1.766 769 I N 2.776 123.318 120.570 -0.046 0.000 2.163 769 I HA -0.195 3.975 4.170 0.000 0.000 0.243 769 I C 2.389 178.516 176.117 0.016 0.000 1.085 769 I CA 2.184 63.432 61.300 -0.086 0.000 1.347 769 I CB -2.085 35.546 38.000 -0.616 0.000 1.044 769 I HN 0.256 nan 8.210 nan 0.000 0.408 770 T N -0.947 113.636 114.554 0.048 0.000 2.977 770 T HA -0.070 4.280 4.350 0.000 0.000 0.271 770 T C 1.883 176.594 174.700 0.019 0.000 1.105 770 T CA 0.912 63.088 62.100 0.127 0.000 1.116 770 T CB -0.443 68.532 68.868 0.179 0.000 0.878 770 T HN 0.282 nan 8.240 nan 0.000 0.509 771 L N -0.317 120.843 121.223 -0.105 0.000 2.189 771 L HA 0.279 4.619 4.340 0.000 0.000 0.199 771 L C 2.712 179.535 176.870 -0.079 0.000 1.074 771 L CA 0.481 55.142 54.840 -0.299 0.000 0.783 771 L CB -0.508 41.032 42.059 -0.865 0.000 0.955 771 L HN 0.168 nan 8.230 nan 0.000 0.460 772 L N 0.911 122.103 121.223 -0.051 0.000 2.127 772 L HA -0.228 4.112 4.340 0.000 0.000 0.211 772 L C 2.676 179.496 176.870 -0.084 0.000 1.089 772 L CA 1.529 56.384 54.840 0.025 0.000 0.757 772 L CB -0.626 41.494 42.059 0.101 0.000 0.899 772 L HN 0.388 nan 8.230 nan 0.000 0.434 773 K N 0.111 120.419 120.400 -0.153 0.000 2.281 773 K HA -0.222 4.098 4.320 0.000 0.000 0.203 773 K C 1.708 178.146 176.600 -0.271 0.000 1.046 773 K CA 1.345 57.375 56.287 -0.429 0.000 0.938 773 K CB -0.262 32.060 32.500 -0.297 0.000 0.737 773 K HN 0.420 nan 8.250 nan 0.000 0.458 774 Q N 0.748 120.493 119.800 -0.092 0.000 2.472 774 Q HA 0.013 4.353 4.340 0.000 0.000 0.208 774 Q C 1.114 177.084 176.000 -0.049 0.000 0.958 774 Q CA 0.795 56.575 55.803 -0.039 0.000 0.932 774 Q CB 0.194 28.990 28.738 0.098 0.000 1.007 774 Q HN 0.423 nan 8.270 nan 0.000 0.508 775 K N -0.019 120.344 120.400 -0.062 0.000 2.400 775 K HA 0.048 4.368 4.320 0.000 0.000 0.194 775 K C 1.593 178.129 176.600 -0.106 0.000 1.033 775 K CA 0.288 56.537 56.287 -0.063 0.000 1.021 775 K CB 0.335 32.815 32.500 -0.034 0.000 0.808 775 K HN 0.144 nan 8.250 nan 0.000 0.505 776 L N 0.097 121.219 121.223 -0.168 0.000 2.022 776 L HA -0.007 4.333 4.340 0.000 0.000 0.204 776 L C 0.848 177.644 176.870 -0.123 0.000 1.076 776 L CA 0.926 55.671 54.840 -0.159 0.000 0.749 776 L CB -0.119 41.803 42.059 -0.229 0.000 0.903 776 L HN 0.040 nan 8.230 nan 0.000 0.439 777 T N 0.000 114.461 114.554 -0.156 0.000 3.816 777 T HA 0.000 4.350 4.350 0.000 0.000 0.228 777 T CA 0.000 62.019 62.100 -0.134 0.000 1.349 777 T CB 0.000 68.784 68.868 -0.139 0.000 0.612 777 T HN 0.000 nan 8.240 nan 0.000 0.658