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 2ead_1_A DATA FIRST_RESID 11 DATA SEQUENCE GDTSKDDWLW YKQPASQTDA TATAGGNYGN PDNNRWQQTT LPFGNGKIGG DATA SEQUENCE TVWGEVSRER VTFNEETLWT GGPGSSTSYN GGNNETKGQN GATLRALNKQ DATA SEQUENCE LANGAETVNP GNLTGGENAA EQGNYLNWGD IYLDYGFNDT TVTEYRRDLN DATA SEQUENCE LSKGKADVTF KHDGVTYTRE YFASNPDNVM VARLTASKAG KLNFNVSMPT DATA SEQUENCE NTNYSKTGET TTVKGDTLTV KGALGNNGLL YNSQIKVVLD NGEGTLSEGS DATA SEQUENCE DGASLKVSDA KAVTLYIAAA TDYKQKYPSY RTGETAAEVN TRVAKVVQDA DATA SEQUENCE ANKGYTAVKK AHIDDHSAIY DRVKIDLGQS GHSSDGAVAT DALLKAYQRG DATA SEQUENCE SATTAQKREL ETLVYKYGRY LTIGSSRENS QLPSNLQGIW SVTAGDNAHG DATA SEQUENCE NTPWGSDFHM NVNLQMNYWP TYSANMGELA EPLIEYVEGL VKPGRVTAKV DATA SEQUENCE YAGAETTNPE TTPIGEGEGY MAHTENTAYG WTAPGQSFSW GWSPAAVPWI DATA SEQUENCE LQNVYEAYEY SGDPALLDRV YALLKEESHF YVNYMLHKAG SSSGDRLTTG DATA SEQUENCE VAYSPAQGPL GTDGNTYESS LVWQMLNDAI EAAKAKGDPD GLVGNTTDcS DATA SEQUENCE ADNWAKNDSG NFTDANANRS WScAKSLLKP IEVGDSGQIK EWYFEGALGK DATA SEQUENCE KKDGSTISGY QADNQHRHMS HLLGLFPGDL ITIDNSEYMD AAKTSLRYRC DATA SEQUENCE FKGNVLQSNT GWAIGQRINS WARTGDGNTT YQLVELQLKN AMYANLFDYH DATA SEQUENCE APFQIDGNFG NTSGVDEMLL QSNSTFTDTA GKKYVNYTNI LPALPDAWAG DATA SEQUENCE GSVSGLVARG NFTVGTTWKN GKATEVRLTS NKGKQAAVKI TAGGAQNYEV DATA SEQUENCE KNGDTAVNAK VVTNADGASL LVFDTTAGTT YTITKK 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 11 G C 0.000 174.917 174.900 0.028 0.000 0.946 11 G CA 0.000 45.114 45.100 0.024 0.000 0.502 12 D N 0.244 120.656 120.400 0.019 0.000 2.365 12 D HA 0.427 5.066 4.640 -0.000 0.000 0.237 12 D C 1.462 177.778 176.300 0.027 0.000 1.190 12 D CA 0.342 54.348 54.000 0.011 0.000 0.867 12 D CB 1.008 41.804 40.800 -0.007 0.000 1.050 12 D HN 0.469 nan 8.370 nan 0.000 0.491 13 T N -0.541 114.041 114.554 0.047 0.000 3.092 13 T HA 0.016 4.366 4.350 -0.000 0.000 0.258 13 T C 1.669 176.364 174.700 -0.008 0.000 1.031 13 T CA 0.256 62.410 62.100 0.091 0.000 0.925 13 T CB -0.194 68.832 68.868 0.264 0.000 1.036 13 T HN 0.228 nan 8.240 nan 0.000 0.544 14 S N 1.581 117.225 115.700 -0.093 0.000 2.419 14 S HA -0.053 4.417 4.470 -0.000 0.000 0.233 14 S C 1.725 176.152 174.600 -0.289 0.000 1.016 14 S CA 0.655 58.696 58.200 -0.265 0.000 0.974 14 S CB -0.351 62.711 63.200 -0.230 0.000 0.786 14 S HN 0.367 nan 8.310 nan 0.000 0.492 15 K N 1.282 121.608 120.400 -0.122 0.000 2.374 15 K HA 0.298 4.617 4.320 -0.000 0.000 0.196 15 K C -0.470 176.133 176.600 0.005 0.000 1.023 15 K CA -0.017 56.223 56.287 -0.078 0.000 1.103 15 K CB 0.085 32.564 32.500 -0.035 0.000 0.848 15 K HN 0.401 nan 8.250 nan 0.000 0.528 16 D N 1.323 121.755 120.400 0.054 0.000 2.339 16 D HA 0.032 4.672 4.640 -0.000 0.000 0.245 16 D C -0.488 175.903 176.300 0.152 0.000 1.115 16 D CA 0.068 54.150 54.000 0.137 0.000 0.917 16 D CB 0.714 41.641 40.800 0.210 0.000 1.192 16 D HN -0.007 nan 8.370 nan 0.000 0.428 17 D N 1.192 121.729 120.400 0.228 0.000 2.295 17 D HA 0.142 4.782 4.640 -0.000 0.000 0.248 17 D C -0.275 176.230 176.300 0.342 0.000 1.154 17 D CA -0.035 54.118 54.000 0.254 0.000 0.857 17 D CB 0.500 41.479 40.800 0.298 0.000 1.117 17 D HN 0.168 nan 8.370 nan 0.000 0.468 18 W N 2.159 123.451 121.300 -0.013 0.000 2.736 18 W HA 0.423 5.083 4.660 -0.000 0.000 0.335 18 W C -0.277 176.242 176.519 -0.001 0.000 1.059 18 W CA -0.834 56.444 57.345 -0.112 0.000 1.226 18 W CB 0.824 30.091 29.460 -0.322 0.000 1.416 18 W HN 0.102 nan 8.180 nan 0.000 0.505 19 L N 4.898 126.182 121.223 0.101 0.000 2.275 19 L HA 0.500 4.840 4.340 -0.000 0.000 0.288 19 L C -0.258 176.658 176.870 0.076 0.000 1.046 19 L CA -0.619 54.210 54.840 -0.018 0.000 0.805 19 L CB 0.523 42.476 42.059 -0.177 0.000 1.193 19 L HN 0.425 nan 8.230 nan 0.000 0.426 20 W N 3.413 124.482 121.300 -0.385 0.000 3.032 20 W HA 0.624 5.284 4.660 -0.000 0.000 0.335 20 W C -2.345 173.746 176.519 -0.714 0.000 1.154 20 W CA -1.159 56.001 57.345 -0.308 0.000 1.204 20 W CB 0.693 30.165 29.460 0.020 0.000 1.416 20 W HN 0.298 nan 8.180 nan 0.000 0.521 21 Y N 1.027 121.396 120.300 0.115 0.000 2.534 21 Y HA 0.324 4.874 4.550 -0.000 0.000 0.345 21 Y C 0.655 176.675 175.900 0.199 0.000 1.031 21 Y CA -1.224 56.875 58.100 -0.002 0.000 1.022 21 Y CB 2.875 41.313 38.460 -0.037 0.000 1.292 21 Y HN 0.356 nan 8.280 nan 0.000 0.459 22 K N 1.841 122.394 120.400 0.255 0.000 2.493 22 K HA 0.158 4.478 4.320 -0.000 0.000 0.207 22 K C -0.447 176.306 176.600 0.255 0.000 1.033 22 K CA -0.130 56.354 56.287 0.329 0.000 1.161 22 K CB 0.383 33.008 32.500 0.208 0.000 0.873 22 K HN 0.534 nan 8.250 nan 0.000 0.491 23 Q N -0.856 119.034 119.800 0.150 0.000 2.527 23 Q HA 0.364 4.704 4.340 -0.000 0.000 0.280 23 Q C -3.384 172.447 176.000 -0.281 0.000 0.977 23 Q CA -2.635 52.984 55.803 -0.306 0.000 0.837 23 Q CB 1.051 29.677 28.738 -0.187 0.000 1.454 23 Q HN -0.242 nan 8.270 nan 0.000 0.387 24 P HA 0.098 nan 4.420 nan 0.000 0.271 24 P C 0.398 177.634 177.300 -0.106 0.000 1.233 24 P CA 0.854 63.847 63.100 -0.179 0.000 0.789 24 P CB 0.358 31.929 31.700 -0.215 0.000 0.951 25 A N 1.706 124.492 122.820 -0.055 0.000 1.917 25 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 25 A C 2.214 179.765 177.584 -0.055 0.000 1.182 25 A CA 2.677 54.628 52.037 -0.143 0.000 0.633 25 A CB -2.035 16.848 19.000 -0.195 0.000 0.819 25 A HN 0.646 nan 8.150 nan 0.000 0.448 26 S N -0.696 115.047 115.700 0.073 0.000 2.420 26 S HA -0.237 4.233 4.470 -0.000 0.000 0.237 26 S C 1.484 176.067 174.600 -0.028 0.000 1.023 26 S CA 1.645 59.883 58.200 0.062 0.000 0.991 26 S CB -0.413 62.822 63.200 0.058 0.000 0.792 26 S HN 0.731 nan 8.310 nan 0.000 0.488 27 Q N 0.659 120.412 119.800 -0.079 0.000 2.179 27 Q HA 0.242 4.581 4.340 -0.000 0.000 0.213 27 Q C -0.497 175.445 176.000 -0.097 0.000 0.833 27 Q CA -0.091 55.656 55.803 -0.094 0.000 0.990 27 Q CB 0.926 29.589 28.738 -0.125 0.000 1.132 27 Q HN 0.421 nan 8.270 nan 0.000 0.493 28 T N 1.209 115.692 114.554 -0.119 0.000 2.882 28 T HA 0.038 4.388 4.350 -0.000 0.000 0.287 28 T C -0.208 174.414 174.700 -0.131 0.000 0.992 28 T CA -0.586 61.434 62.100 -0.134 0.000 1.076 28 T CB 1.152 69.884 68.868 -0.227 0.000 0.961 28 T HN 0.046 nan 8.240 nan 0.000 0.490 29 D N 1.926 122.264 120.400 -0.104 0.000 2.451 29 D HA 0.129 4.769 4.640 -0.000 0.000 0.254 29 D C -0.011 176.202 176.300 -0.145 0.000 1.204 29 D CA -0.046 53.895 54.000 -0.097 0.000 0.896 29 D CB 0.433 41.195 40.800 -0.062 0.000 1.136 29 D HN 0.644 nan 8.370 nan 0.000 0.499 30 A N 3.039 125.766 122.820 -0.156 0.000 2.749 30 A HA 0.137 4.457 4.320 -0.000 0.000 0.299 30 A C 1.255 178.727 177.584 -0.185 0.000 1.105 30 A CA -0.180 51.721 52.037 -0.228 0.000 0.987 30 A CB -0.137 18.718 19.000 -0.240 0.000 1.180 30 A HN 0.546 nan 8.150 nan 0.000 0.528 31 T N -2.894 111.585 114.554 -0.124 0.000 3.100 31 T HA 0.447 4.797 4.350 -0.000 0.000 0.253 31 T C 0.955 175.610 174.700 -0.076 0.000 1.118 31 T CA 0.643 62.693 62.100 -0.083 0.000 1.058 31 T CB -0.250 68.590 68.868 -0.047 0.000 0.953 31 T HN 0.690 nan 8.240 nan 0.000 0.515 32 A N 1.895 124.657 122.820 -0.097 0.000 2.386 32 A HA 0.477 4.797 4.320 -0.000 0.000 0.246 32 A C 0.723 178.224 177.584 -0.139 0.000 1.089 32 A CA -0.407 51.582 52.037 -0.080 0.000 0.790 32 A CB -0.407 18.574 19.000 -0.032 0.000 1.042 32 A HN 0.429 nan 8.150 nan 0.000 0.497 33 T N 1.655 116.136 114.554 -0.120 0.000 2.800 33 T HA 0.228 4.578 4.350 -0.000 0.000 0.283 33 T C 1.529 176.170 174.700 -0.098 0.000 0.999 33 T CA 0.521 62.576 62.100 -0.074 0.000 1.176 33 T CB 0.503 69.378 68.868 0.012 0.000 0.973 33 T HN 0.915 nan 8.240 nan 0.000 0.519 34 A N 3.706 126.495 122.820 -0.052 0.000 1.872 34 A HA 0.472 4.792 4.320 -0.000 0.000 0.214 34 A C 1.547 179.157 177.584 0.043 0.000 1.187 34 A CA 0.913 52.922 52.037 -0.047 0.000 0.614 34 A CB -1.100 17.912 19.000 0.020 0.000 0.826 34 A HN 1.736 nan 8.150 nan 0.000 0.442 35 G N -2.452 106.410 108.800 0.102 0.000 2.829 35 G HA2 0.311 4.271 3.960 -0.000 0.000 0.628 35 G HA3 0.311 4.271 3.960 -0.000 0.000 0.628 35 G C 0.419 175.422 174.900 0.172 0.000 1.412 35 G CA -0.294 44.900 45.100 0.157 0.000 0.864 35 G HN 1.516 nan 8.290 nan 0.000 0.544 36 G N -0.570 108.290 108.800 0.100 0.000 2.414 36 G HA2 0.447 4.407 3.960 -0.000 0.000 0.236 36 G HA3 0.447 4.407 3.960 -0.000 0.000 0.236 36 G C 0.903 175.829 174.900 0.043 0.000 1.293 36 G CA 1.124 46.231 45.100 0.011 0.000 0.869 36 G HN 1.816 nan 8.290 nan 0.000 0.556 37 N N -0.256 118.418 118.700 -0.043 0.000 2.965 37 N HA -0.194 4.546 4.740 -0.000 0.000 0.232 37 N C -0.052 175.301 175.510 -0.260 0.000 0.913 37 N CA 1.552 54.498 53.050 -0.173 0.000 0.981 37 N CB -1.068 37.247 38.487 -0.286 0.000 1.077 37 N HN 0.700 nan 8.380 nan 0.000 0.589 38 Y N 0.078 120.373 120.300 -0.009 0.000 2.734 38 Y HA 0.409 4.959 4.550 -0.000 0.000 0.278 38 Y C 1.903 177.808 175.900 0.009 0.000 1.108 38 Y CA 0.178 58.290 58.100 0.021 0.000 1.211 38 Y CB 0.574 39.066 38.460 0.054 0.000 1.182 38 Y HN 0.135 nan 8.280 nan 0.000 0.547 39 G N 0.088 108.932 108.800 0.074 0.000 2.443 39 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 39 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 39 G C 0.812 175.735 174.900 0.039 0.000 1.131 39 G CA 0.137 45.264 45.100 0.045 0.000 0.775 39 G HN 0.223 nan 8.290 nan 0.000 0.547 40 N N 1.136 119.855 118.700 0.031 0.000 2.431 40 N HA 0.140 4.880 4.740 -0.000 0.000 0.265 40 N C -1.482 174.075 175.510 0.079 0.000 1.184 40 N CA -1.776 51.295 53.050 0.035 0.000 0.943 40 N CB 1.702 40.195 38.487 0.010 0.000 1.080 40 N HN -0.099 nan 8.380 nan 0.000 0.477 41 P HA -0.135 nan 4.420 nan 0.000 0.216 41 P C 0.670 178.040 177.300 0.117 0.000 1.150 41 P CA 1.138 64.280 63.100 0.069 0.000 0.843 41 P CB 0.332 32.057 31.700 0.042 0.000 0.787 42 D N -1.497 118.984 120.400 0.134 0.000 2.117 42 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 42 D C 1.706 178.211 176.300 0.342 0.000 0.982 42 D CA 1.052 55.185 54.000 0.221 0.000 0.828 42 D CB -0.408 40.482 40.800 0.149 0.000 0.967 42 D HN -0.034 nan 8.370 nan 0.000 0.464 43 N N 0.122 118.980 118.700 0.264 0.000 2.216 43 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 43 N C 1.497 177.339 175.510 0.555 0.000 1.017 43 N CA 0.698 53.959 53.050 0.352 0.000 0.861 43 N CB -0.609 37.944 38.487 0.110 0.000 0.986 43 N HN 0.260 nan 8.380 nan 0.000 0.428 44 N N 1.264 120.200 118.700 0.394 0.000 2.120 44 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 44 N C 1.725 177.235 175.510 0.000 0.000 1.024 44 N CA 0.893 54.065 53.050 0.204 0.000 0.852 44 N CB 0.007 38.539 38.487 0.075 0.000 1.003 44 N HN 0.053 nan 8.380 nan 0.000 0.424 45 R N -0.563 119.973 120.500 0.059 0.000 2.091 45 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 45 R C 1.970 178.132 176.300 -0.230 0.000 1.136 45 R CA 1.761 57.828 56.100 -0.054 0.000 0.959 45 R CB -1.074 29.291 30.300 0.109 0.000 0.856 45 R HN 0.527 nan 8.270 nan 0.000 0.437 46 W N 1.956 123.120 121.300 -0.227 0.000 2.301 46 W HA -0.349 4.311 4.660 -0.000 0.000 0.325 46 W C 2.135 178.443 176.519 -0.350 0.000 1.250 46 W CA 2.641 59.726 57.345 -0.433 0.000 1.261 46 W CB -0.599 28.899 29.460 0.064 0.000 1.157 46 W HN 0.450 nan 8.180 nan 0.000 0.473 47 Q N -0.709 118.956 119.800 -0.225 0.000 2.224 47 Q HA -0.197 4.143 4.340 -0.000 0.000 0.203 47 Q C 1.874 177.507 176.000 -0.612 0.000 0.970 47 Q CA 1.790 57.268 55.803 -0.541 0.000 0.865 47 Q CB -0.606 28.080 28.738 -0.087 0.000 0.922 47 Q HN 0.508 nan 8.270 nan 0.000 0.445 48 Q N 0.194 119.561 119.800 -0.722 0.000 2.396 48 Q HA 0.040 4.380 4.340 -0.000 0.000 0.209 48 Q C 1.139 176.787 176.000 -0.587 0.000 0.906 48 Q CA 1.383 56.736 55.803 -0.750 0.000 0.927 48 Q CB 1.092 29.312 28.738 -0.862 0.000 1.069 48 Q HN 0.652 nan 8.270 nan 0.000 0.523 49 T N -3.418 110.711 114.554 -0.707 0.000 2.993 49 T HA 0.041 4.391 4.350 -0.000 0.000 0.260 49 T C 0.974 175.155 174.700 -0.865 0.000 0.939 49 T CA 0.240 61.913 62.100 -0.711 0.000 0.886 49 T CB 0.224 68.759 68.868 -0.554 0.000 1.209 49 T HN 0.151 nan 8.240 nan 0.000 0.518 50 T N 1.376 115.307 114.554 -1.037 0.000 2.899 50 T HA 0.692 5.042 4.350 -0.000 0.000 0.284 50 T C -0.247 173.921 174.700 -0.887 0.000 1.004 50 T CA -0.841 60.660 62.100 -0.997 0.000 1.043 50 T CB 0.933 69.071 68.868 -1.217 0.000 1.013 50 T HN 0.284 nan 8.240 nan 0.000 0.518 51 L N 3.178 124.039 121.223 -0.604 0.000 2.298 51 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 51 L C -2.176 174.523 176.870 -0.285 0.000 1.013 51 L CA -2.386 52.179 54.840 -0.458 0.000 0.824 51 L CB 2.000 43.885 42.059 -0.291 0.000 1.221 51 L HN 0.546 nan 8.230 nan 0.000 0.418 52 P HA 0.386 nan 4.420 nan 0.000 0.282 52 P C -1.243 176.110 177.300 0.089 0.000 1.249 52 P CA -0.241 62.564 63.100 -0.490 0.000 0.806 52 P CB 1.261 32.139 31.700 -1.371 0.000 0.984 53 F N -1.122 118.934 119.950 0.177 0.000 2.686 53 F HA 0.891 5.418 4.527 -0.000 0.000 0.311 53 F C -0.751 175.399 175.800 0.583 0.000 1.128 53 F CA -0.798 57.443 58.000 0.402 0.000 0.946 53 F CB 1.389 40.582 39.000 0.321 0.000 1.336 53 F HN 0.647 nan 8.300 nan 0.000 0.457 54 G N 0.741 109.821 108.800 0.467 0.000 2.451 54 G HA2 0.357 4.317 3.960 -0.000 0.000 0.292 54 G HA3 0.357 4.317 3.960 -0.000 0.000 0.292 54 G C -1.878 173.171 174.900 0.250 0.000 1.427 54 G CA -0.631 44.607 45.100 0.230 0.000 0.792 54 G HN 1.158 nan 8.290 nan 0.000 0.498 55 N N -1.009 117.778 118.700 0.146 0.000 2.282 55 N HA 0.383 5.123 4.740 -0.000 0.000 0.240 55 N C 1.336 176.902 175.510 0.093 0.000 1.182 55 N CA 0.716 53.867 53.050 0.169 0.000 0.874 55 N CB 0.933 39.532 38.487 0.187 0.000 1.126 55 N HN 2.048 nan 8.380 nan 0.000 0.516 56 G N 0.300 109.116 108.800 0.026 0.000 2.241 56 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.244 56 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.244 56 G C 0.861 175.730 174.900 -0.052 0.000 0.998 56 G CA 0.722 45.812 45.100 -0.017 0.000 0.621 56 G HN 0.487 nan 8.290 nan 0.000 0.519 57 K N -0.464 119.910 120.400 -0.042 0.000 2.418 57 K HA 0.433 4.753 4.320 -0.000 0.000 0.208 57 K C 1.251 177.789 176.600 -0.105 0.000 1.261 57 K CA 0.579 56.846 56.287 -0.033 0.000 0.874 57 K CB 0.447 32.965 32.500 0.030 0.000 1.451 57 K HN 0.575 nan 8.250 nan 0.000 0.466 58 I N -0.862 119.636 120.570 -0.121 0.000 2.577 58 I HA 0.659 4.829 4.170 -0.000 0.000 0.305 58 I C -0.273 175.644 176.117 -0.333 0.000 0.986 58 I CA -0.861 60.267 61.300 -0.287 0.000 1.189 58 I CB 1.851 39.718 38.000 -0.221 0.000 1.355 58 I HN 0.034 nan 8.210 nan 0.000 0.476 59 G N 2.124 110.604 108.800 -0.533 0.000 2.659 59 G HA2 0.689 4.649 3.960 -0.000 0.000 0.296 59 G HA3 0.689 4.649 3.960 -0.000 0.000 0.296 59 G C -1.129 173.500 174.900 -0.451 0.000 1.369 59 G CA -0.794 44.060 45.100 -0.410 0.000 0.937 59 G HN 1.042 nan 8.290 nan 0.000 0.485 60 G N -0.571 107.861 108.800 -0.613 0.000 2.533 60 G HA2 0.727 4.687 3.960 -0.000 0.000 0.304 60 G HA3 0.727 4.687 3.960 -0.000 0.000 0.304 60 G C -0.612 174.226 174.900 -0.105 0.000 1.263 60 G CA -0.554 44.315 45.100 -0.385 0.000 0.964 60 G HN 1.006 nan 8.290 nan 0.000 0.479 61 T N -1.183 113.459 114.554 0.146 0.000 2.864 61 T HA 0.528 4.878 4.350 -0.000 0.000 0.299 61 T C -0.401 174.339 174.700 0.066 0.000 1.011 61 T CA -0.583 61.566 62.100 0.082 0.000 0.975 61 T CB 1.452 70.427 68.868 0.179 0.000 0.962 61 T HN 0.390 nan 8.240 nan 0.000 0.448 62 V N 3.635 123.534 119.914 -0.025 0.000 2.461 62 V HA 0.188 4.308 4.120 -0.000 0.000 0.275 62 V C 0.345 176.390 176.094 -0.082 0.000 1.047 62 V CA -0.427 61.848 62.300 -0.041 0.000 0.955 62 V CB 0.662 32.412 31.823 -0.122 0.000 0.988 62 V HN 0.992 nan 8.190 nan 0.000 0.471 63 W N 2.387 123.633 121.300 -0.089 0.000 2.539 63 W HA 0.338 4.998 4.660 -0.000 0.000 0.281 63 W C 1.938 178.441 176.519 -0.027 0.000 1.220 63 W CA 0.737 58.041 57.345 -0.068 0.000 1.332 63 W CB -0.324 29.121 29.460 -0.026 0.000 1.095 63 W HN 0.869 nan 8.180 nan 0.000 0.571 64 G N 0.931 109.883 108.800 0.254 0.000 2.176 64 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.252 64 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.252 64 G C 0.068 175.127 174.900 0.264 0.000 1.024 64 G CA -0.064 45.199 45.100 0.271 0.000 0.755 64 G HN 0.105 nan 8.290 nan 0.000 0.507 65 E N -0.380 119.928 120.200 0.180 0.000 2.383 65 E HA 0.276 4.626 4.350 -0.000 0.000 0.264 65 E C 1.726 178.289 176.600 -0.062 0.000 1.050 65 E CA 0.195 56.623 56.400 0.047 0.000 0.896 65 E CB 1.541 31.260 29.700 0.031 0.000 0.982 65 E HN 0.690 nan 8.360 nan 0.000 0.424 66 V N 1.285 121.055 119.914 -0.239 0.000 2.283 66 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 66 V C 1.866 177.772 176.094 -0.313 0.000 1.039 66 V CA 2.343 64.313 62.300 -0.550 0.000 1.016 66 V CB 0.193 31.439 31.823 -0.960 0.000 0.650 66 V HN 0.568 nan 8.190 nan 0.000 0.449 67 S N -0.106 115.483 115.700 -0.185 0.000 2.357 67 S HA 0.143 4.613 4.470 -0.000 0.000 0.209 67 S C 1.605 176.146 174.600 -0.099 0.000 1.023 67 S CA 0.309 58.386 58.200 -0.205 0.000 0.933 67 S CB -0.296 62.857 63.200 -0.078 0.000 0.897 67 S HN 0.652 nan 8.310 nan 0.000 0.529 68 R N 1.993 122.464 120.500 -0.049 0.000 2.870 68 R HA 0.212 4.551 4.340 -0.000 0.000 0.254 68 R C -0.625 175.713 176.300 0.063 0.000 1.392 68 R CA -0.192 55.916 56.100 0.013 0.000 1.322 68 R CB 0.035 30.312 30.300 -0.037 0.000 1.205 68 R HN 0.254 nan 8.270 nan 0.000 0.597 69 E N 2.455 122.721 120.200 0.110 0.000 2.383 69 E HA 0.066 4.416 4.350 -0.000 0.000 0.264 69 E C -0.950 175.705 176.600 0.091 0.000 1.050 69 E CA 0.002 56.473 56.400 0.119 0.000 0.896 69 E CB 0.722 30.533 29.700 0.184 0.000 0.982 69 E HN 0.459 nan 8.360 nan 0.000 0.424 70 R N 2.635 123.136 120.500 0.001 0.000 2.564 70 R HA 0.509 4.849 4.340 -0.000 0.000 0.284 70 R C -1.881 174.413 176.300 -0.011 0.000 1.031 70 R CA -0.759 55.192 56.100 -0.248 0.000 0.904 70 R CB 1.521 31.389 30.300 -0.721 0.000 1.199 70 R HN 0.405 nan 8.270 nan 0.000 0.443 71 V N 3.473 123.354 119.914 -0.055 0.000 2.380 71 V HA 0.264 4.384 4.120 -0.000 0.000 0.286 71 V C -0.121 176.059 176.094 0.143 0.000 1.015 71 V CA -0.698 61.661 62.300 0.098 0.000 0.834 71 V CB 1.782 33.598 31.823 -0.012 0.000 1.009 71 V HN 0.810 nan 8.190 nan 0.000 0.428 72 T N 5.856 120.615 114.554 0.342 0.000 2.870 72 T HA 0.363 4.713 4.350 -0.000 0.000 0.300 72 T C -0.584 174.278 174.700 0.270 0.000 0.989 72 T CA 0.517 62.802 62.100 0.309 0.000 1.139 72 T CB 0.207 69.371 68.868 0.494 0.000 0.920 72 T HN 0.431 nan 8.240 nan 0.000 0.537 73 F N 3.620 123.594 119.950 0.041 0.000 2.520 73 F HA 0.551 5.078 4.527 -0.000 0.000 0.322 73 F C -0.164 175.635 175.800 -0.002 0.000 1.103 73 F CA -0.878 57.108 58.000 -0.024 0.000 0.926 73 F CB 1.355 40.285 39.000 -0.116 0.000 1.154 73 F HN 0.418 nan 8.300 nan 0.000 0.453 74 N N 3.570 121.771 118.700 -0.830 0.000 2.284 74 N HA 0.241 4.981 4.740 -0.000 0.000 0.289 74 N C -1.940 173.133 175.510 -0.728 0.000 1.179 74 N CA -0.618 52.136 53.050 -0.495 0.000 0.774 74 N CB 2.548 40.895 38.487 -0.233 0.000 1.548 74 N HN 0.596 nan 8.380 nan 0.000 0.473 75 E N 1.214 121.294 120.200 -0.199 0.000 2.272 75 E HA 0.097 4.447 4.350 -0.000 0.000 0.269 75 E C 0.198 176.898 176.600 0.167 0.000 0.877 75 E CA -0.217 56.144 56.400 -0.065 0.000 0.755 75 E CB 1.762 31.515 29.700 0.088 0.000 1.192 75 E HN 0.699 nan 8.360 nan 0.000 0.422 76 E N 1.260 121.529 120.200 0.114 0.000 2.204 76 E HA -0.176 4.173 4.350 -0.000 0.000 0.195 76 E C 1.069 177.846 176.600 0.294 0.000 0.990 76 E CA 1.746 58.242 56.400 0.160 0.000 0.821 76 E CB -0.178 29.523 29.700 0.002 0.000 0.750 76 E HN 0.425 nan 8.360 nan 0.000 0.477 77 T N -1.204 113.484 114.554 0.223 0.000 3.122 77 T HA 0.158 4.508 4.350 -0.000 0.000 0.250 77 T C 0.525 175.365 174.700 0.234 0.000 1.067 77 T CA -0.509 61.651 62.100 0.100 0.000 0.966 77 T CB -0.004 68.860 68.868 -0.007 0.000 1.002 77 T HN 0.052 nan 8.240 nan 0.000 0.542 78 L N 2.358 123.722 121.223 0.235 0.000 2.448 78 L HA 0.474 4.814 4.340 -0.000 0.000 0.278 78 L C -1.330 175.469 176.870 -0.118 0.000 1.201 78 L CA -0.459 54.377 54.840 -0.005 0.000 1.036 78 L CB -0.708 41.227 42.059 -0.206 0.000 1.325 78 L HN 0.374 nan 8.230 nan 0.000 0.441 79 W N 3.304 124.562 121.300 -0.071 0.000 2.683 79 W HA 0.462 5.122 4.660 -0.000 0.000 0.329 79 W C 0.475 177.040 176.519 0.076 0.000 1.037 79 W CA -0.472 56.869 57.345 -0.007 0.000 1.232 79 W CB 1.756 31.192 29.460 -0.040 0.000 1.390 79 W HN 0.502 nan 8.180 nan 0.000 0.465 80 T N 0.910 115.541 114.554 0.128 0.000 2.754 80 T HA 0.784 5.134 4.350 -0.000 0.000 0.286 80 T C 0.686 175.516 174.700 0.217 0.000 0.997 80 T CA 0.561 62.714 62.100 0.087 0.000 0.982 80 T CB 1.053 69.884 68.868 -0.062 0.000 1.027 80 T HN 1.298 nan 8.240 nan 0.000 0.529 81 G N -1.194 107.583 108.800 -0.038 0.000 2.631 81 G HA2 0.442 4.401 3.960 -0.000 0.000 0.504 81 G HA3 0.442 4.401 3.960 -0.000 0.000 0.504 81 G C 0.224 174.699 174.900 -0.709 0.000 1.306 81 G CA -0.033 44.955 45.100 -0.186 0.000 0.897 81 G HN 2.693 nan 8.290 nan 0.000 0.520 82 G N -1.055 107.169 108.800 -0.960 0.000 2.660 82 G HA2 0.286 4.246 3.960 -0.000 0.000 0.215 82 G HA3 0.286 4.246 3.960 -0.000 0.000 0.215 82 G C -2.513 171.558 174.900 -1.382 0.000 1.345 82 G CA 0.392 44.443 45.100 -1.749 0.000 0.877 82 G HN 1.446 nan 8.290 nan 0.000 0.549 83 P HA 0.353 nan 4.420 nan 0.000 0.265 83 P C 1.116 178.260 177.300 -0.259 0.000 1.193 83 P CA 2.134 65.038 63.100 -0.327 0.000 0.765 83 P CB 0.614 32.262 31.700 -0.085 0.000 0.823 84 G N 2.212 110.944 108.800 -0.113 0.000 2.234 84 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.235 84 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.235 84 G C 1.166 176.021 174.900 -0.076 0.000 0.997 84 G CA 0.512 45.563 45.100 -0.081 0.000 0.623 84 G HN 0.608 nan 8.290 nan 0.000 0.514 85 S N -0.388 115.242 115.700 -0.116 0.000 2.496 85 S HA 0.502 4.971 4.470 -0.000 0.000 0.224 85 S C 1.046 175.660 174.600 0.023 0.000 0.996 85 S CA 1.444 59.605 58.200 -0.065 0.000 0.927 85 S CB 0.038 63.170 63.200 -0.114 0.000 0.774 85 S HN 2.160 nan 8.310 nan 0.000 0.524 86 S N 0.098 115.836 115.700 0.063 0.000 2.656 86 S HA 0.486 4.956 4.470 -0.000 0.000 0.273 86 S C 0.433 175.087 174.600 0.089 0.000 1.168 86 S CA -0.033 58.224 58.200 0.094 0.000 0.817 86 S CB 0.850 64.141 63.200 0.152 0.000 1.146 86 S HN 0.319 nan 8.310 nan 0.000 0.475 87 T N -1.558 113.043 114.554 0.078 0.000 3.129 87 T HA 0.194 4.543 4.350 -0.000 0.000 0.251 87 T C 1.005 175.754 174.700 0.081 0.000 1.117 87 T CA 0.766 62.906 62.100 0.065 0.000 1.034 87 T CB -0.605 68.290 68.868 0.046 0.000 0.968 87 T HN 1.161 nan 8.240 nan 0.000 0.526 88 S N -0.650 115.116 115.700 0.110 0.000 2.952 88 S HA 0.267 4.737 4.470 -0.000 0.000 0.251 88 S C -0.163 174.514 174.600 0.129 0.000 1.021 88 S CA -0.914 57.345 58.200 0.098 0.000 1.067 88 S CB -0.927 62.314 63.200 0.069 0.000 1.002 88 S HN 0.443 nan 8.310 nan 0.000 0.574 89 Y N 3.240 123.584 120.300 0.074 0.000 2.865 89 Y HA 0.218 4.768 4.550 -0.000 0.000 0.338 89 Y C 0.548 176.521 175.900 0.121 0.000 1.269 89 Y CA 0.566 58.733 58.100 0.113 0.000 1.585 89 Y CB 0.186 38.700 38.460 0.091 0.000 1.224 89 Y HN 0.416 nan 8.280 nan 0.000 0.554 90 N N 3.889 122.270 118.700 -0.531 0.000 2.598 90 N HA 0.187 4.927 4.740 -0.000 0.000 0.295 90 N C 0.378 175.619 175.510 -0.448 0.000 1.729 90 N CA 0.533 53.379 53.050 -0.340 0.000 0.877 90 N CB 0.158 38.570 38.487 -0.125 0.000 1.405 90 N HN 0.927 nan 8.380 nan 0.000 0.491 91 G N -0.265 108.005 108.800 -0.883 0.000 2.155 91 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.257 91 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.257 91 G C 0.977 175.511 174.900 -0.611 0.000 0.983 91 G CA 0.498 45.368 45.100 -0.384 0.000 0.676 91 G HN 1.363 nan 8.290 nan 0.000 0.528 92 G N -1.428 106.935 108.800 -0.728 0.000 2.176 92 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.253 92 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.253 92 G C 0.155 174.799 174.900 -0.425 0.000 0.979 92 G CA 0.603 45.116 45.100 -0.978 0.000 0.641 92 G HN 1.252 nan 8.290 nan 0.000 0.530 93 N N 1.086 119.639 118.700 -0.246 0.000 2.483 93 N HA 0.351 5.091 4.740 -0.000 0.000 0.264 93 N C -0.190 175.302 175.510 -0.030 0.000 1.197 93 N CA -0.058 52.979 53.050 -0.021 0.000 0.927 93 N CB 0.430 38.908 38.487 -0.016 0.000 1.065 93 N HN 0.206 nan 8.380 nan 0.000 0.461 94 N N 2.169 120.887 118.700 0.030 0.000 2.546 94 N HA 0.056 4.796 4.740 -0.000 0.000 0.238 94 N C 0.315 175.723 175.510 -0.170 0.000 0.984 94 N CA -0.190 52.840 53.050 -0.034 0.000 0.935 94 N CB 0.595 39.114 38.487 0.052 0.000 1.122 94 N HN 0.523 nan 8.380 nan 0.000 0.510 95 E N 1.049 121.163 120.200 -0.143 0.000 2.110 95 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 95 E C 1.342 177.859 176.600 -0.138 0.000 0.988 95 E CA 1.718 58.020 56.400 -0.164 0.000 0.804 95 E CB -0.069 29.570 29.700 -0.101 0.000 0.745 95 E HN 0.764 nan 8.360 nan 0.000 0.458 96 T N -0.189 114.313 114.554 -0.087 0.000 2.867 96 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 96 T C 1.785 176.446 174.700 -0.064 0.000 1.057 96 T CA 0.735 62.798 62.100 -0.061 0.000 1.136 96 T CB 0.072 68.921 68.868 -0.032 0.000 0.874 96 T HN -0.067 nan 8.240 nan 0.000 0.466 97 K N 1.149 121.508 120.400 -0.068 0.000 2.044 97 K HA 0.172 4.492 4.320 -0.000 0.000 0.204 97 K C 2.727 179.280 176.600 -0.079 0.000 1.049 97 K CA 1.311 57.577 56.287 -0.035 0.000 0.945 97 K CB -0.987 31.546 32.500 0.055 0.000 0.724 97 K HN 0.510 nan 8.250 nan 0.000 0.440 98 G N 0.875 109.520 108.800 -0.257 0.000 2.403 98 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 98 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 98 G C 0.300 175.094 174.900 -0.178 0.000 1.154 98 G CA 0.032 44.912 45.100 -0.366 0.000 0.784 98 G HN 0.273 nan 8.290 nan 0.000 0.538 99 Q N 0.242 119.946 119.800 -0.160 0.000 2.435 99 Q HA -0.186 4.154 4.340 -0.000 0.000 0.312 99 Q C 0.017 175.973 176.000 -0.074 0.000 1.333 99 Q CA 0.936 56.682 55.803 -0.095 0.000 0.883 99 Q CB -1.960 26.742 28.738 -0.061 0.000 1.170 99 Q HN 0.647 nan 8.270 nan 0.000 0.443 100 N N -1.271 117.370 118.700 -0.098 0.000 2.716 100 N HA -0.275 4.464 4.740 -0.000 0.000 0.250 100 N C 0.929 176.434 175.510 -0.008 0.000 1.033 100 N CA 2.370 55.387 53.050 -0.056 0.000 0.727 100 N CB -1.390 37.075 38.487 -0.037 0.000 0.950 100 N HN 0.898 nan 8.380 nan 0.000 0.541 101 G N -2.116 106.688 108.800 0.007 0.000 2.217 101 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.246 101 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.246 101 G C 1.120 176.045 174.900 0.042 0.000 0.990 101 G CA 0.934 46.072 45.100 0.063 0.000 0.627 101 G HN 0.992 nan 8.290 nan 0.000 0.522 102 A N -0.047 122.779 122.820 0.009 0.000 1.933 102 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 102 A C 2.439 180.017 177.584 -0.009 0.000 1.175 102 A CA 2.869 54.905 52.037 -0.002 0.000 0.628 102 A CB -0.853 18.139 19.000 -0.015 0.000 0.814 102 A HN 0.811 nan 8.150 nan 0.000 0.444 103 T N 0.057 114.603 114.554 -0.015 0.000 2.737 103 T HA -0.124 4.225 4.350 -0.000 0.000 0.265 103 T C 1.840 176.517 174.700 -0.040 0.000 1.038 103 T CA 1.498 63.578 62.100 -0.033 0.000 1.144 103 T CB -0.377 68.469 68.868 -0.036 0.000 0.866 103 T HN 0.308 nan 8.240 nan 0.000 0.434 104 L N 1.385 122.605 121.223 -0.005 0.000 2.083 104 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 104 L C 2.508 179.372 176.870 -0.009 0.000 1.083 104 L CA 1.673 56.508 54.840 -0.008 0.000 0.752 104 L CB -0.539 41.579 42.059 0.099 0.000 0.899 104 L HN 0.080 nan 8.230 nan 0.000 0.433 105 R N -0.564 119.941 120.500 0.009 0.000 2.073 105 R HA -0.148 4.191 4.340 -0.000 0.000 0.234 105 R C 2.153 178.453 176.300 -0.001 0.000 1.134 105 R CA 1.423 57.527 56.100 0.007 0.000 0.952 105 R CB -0.403 29.904 30.300 0.012 0.000 0.850 105 R HN 0.474 nan 8.270 nan 0.000 0.433 106 A N 1.249 124.062 122.820 -0.012 0.000 1.902 106 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 106 A C 2.239 179.810 177.584 -0.021 0.000 1.181 106 A CA 1.231 53.258 52.037 -0.016 0.000 0.623 106 A CB -0.575 18.410 19.000 -0.026 0.000 0.818 106 A HN 0.353 nan 8.150 nan 0.000 0.443 107 L N -0.585 120.611 121.223 -0.044 0.000 2.012 107 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 107 L C 2.361 179.219 176.870 -0.021 0.000 1.073 107 L CA 1.948 56.753 54.840 -0.059 0.000 0.748 107 L CB -0.697 41.291 42.059 -0.117 0.000 0.891 107 L HN 0.504 nan 8.230 nan 0.000 0.431 108 N N -0.480 118.210 118.700 -0.018 0.000 2.244 108 N HA -0.210 4.530 4.740 -0.000 0.000 0.183 108 N C 1.826 177.420 175.510 0.140 0.000 1.016 108 N CA 0.801 53.856 53.050 0.009 0.000 0.866 108 N CB 0.009 38.427 38.487 -0.116 0.000 0.980 108 N HN 0.243 nan 8.380 nan 0.000 0.430 109 K N 1.259 121.711 120.400 0.087 0.000 2.057 109 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 109 K C 1.897 178.537 176.600 0.066 0.000 1.049 109 K CA 1.191 57.528 56.287 0.084 0.000 0.931 109 K CB 0.122 32.649 32.500 0.045 0.000 0.714 109 K HN 0.234 nan 8.250 nan 0.000 0.440 110 Q N 0.507 120.332 119.800 0.043 0.000 2.030 110 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 110 Q C 2.261 178.292 176.000 0.052 0.000 0.986 110 Q CA 1.858 57.679 55.803 0.029 0.000 0.843 110 Q CB -0.233 28.508 28.738 0.004 0.000 0.904 110 Q HN 0.321 nan 8.270 nan 0.000 0.420 111 L N 0.275 121.549 121.223 0.085 0.000 2.013 111 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 111 L C 2.573 179.516 176.870 0.122 0.000 1.073 111 L CA 1.236 56.154 54.840 0.130 0.000 0.753 111 L CB -0.760 41.418 42.059 0.199 0.000 0.890 111 L HN 0.247 nan 8.230 nan 0.000 0.432 112 A N -0.079 122.824 122.820 0.139 0.000 1.978 112 A HA -0.185 4.134 4.320 -0.000 0.000 0.220 112 A C 1.799 179.388 177.584 0.008 0.000 1.170 112 A CA 1.832 53.877 52.037 0.013 0.000 0.636 112 A CB -0.519 18.485 19.000 0.007 0.000 0.810 112 A HN 0.473 nan 8.150 nan 0.000 0.448 113 N N -0.880 117.837 118.700 0.028 0.000 2.370 113 N HA 0.215 4.955 4.740 -0.000 0.000 0.198 113 N C 0.967 176.486 175.510 0.015 0.000 1.156 113 N CA 1.034 54.094 53.050 0.016 0.000 0.839 113 N CB 0.577 39.074 38.487 0.016 0.000 0.989 113 N HN 0.663 nan 8.380 nan 0.000 0.468 114 G N -0.965 107.849 108.800 0.023 0.000 2.192 114 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.193 114 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.193 114 G C 0.192 175.108 174.900 0.025 0.000 0.999 114 G CA -0.112 45.002 45.100 0.022 0.000 0.659 114 G HN 0.530 nan 8.290 nan 0.000 0.503 115 A N 0.269 123.107 122.820 0.029 0.000 2.477 115 A HA 0.641 4.960 4.320 -0.000 0.000 0.246 115 A C 1.051 178.661 177.584 0.044 0.000 1.078 115 A CA 1.226 53.276 52.037 0.021 0.000 0.770 115 A CB 0.490 19.499 19.000 0.015 0.000 1.011 115 A HN 0.487 nan 8.150 nan 0.000 0.494 116 E N 0.650 120.858 120.200 0.015 0.000 2.122 116 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 116 E C 0.513 177.146 176.600 0.055 0.000 0.977 116 E CA 1.144 57.558 56.400 0.023 0.000 0.820 116 E CB 0.262 29.900 29.700 -0.103 0.000 0.770 116 E HN 0.707 nan 8.360 nan 0.000 0.462 117 T N -0.306 114.253 114.554 0.007 0.000 2.883 117 T HA 0.507 4.857 4.350 -0.000 0.000 0.301 117 T C -1.276 173.411 174.700 -0.021 0.000 1.158 117 T CA -0.615 61.492 62.100 0.011 0.000 1.007 117 T CB 1.576 70.427 68.868 -0.027 0.000 1.186 117 T HN 0.019 nan 8.240 nan 0.000 0.499 118 V N 1.646 121.532 119.914 -0.047 0.000 3.102 118 V HA 0.735 4.854 4.120 -0.000 0.000 0.312 118 V C -0.401 175.600 176.094 -0.155 0.000 1.135 118 V CA -1.294 60.953 62.300 -0.090 0.000 1.022 118 V CB 1.951 33.722 31.823 -0.088 0.000 1.056 118 V HN 0.846 nan 8.190 nan 0.000 0.436 119 N N 3.373 121.971 118.700 -0.169 0.000 2.415 119 N HA 0.427 5.167 4.740 -0.000 0.000 0.246 119 N C -1.700 173.612 175.510 -0.329 0.000 1.078 119 N CA -2.000 50.918 53.050 -0.221 0.000 0.942 119 N CB 1.202 39.594 38.487 -0.159 0.000 1.140 119 N HN 0.689 nan 8.380 nan 0.000 0.501 120 P HA 0.195 nan 4.420 nan 0.000 0.258 120 P C 1.042 177.931 177.300 -0.685 0.000 1.416 120 P CA -0.110 62.484 63.100 -0.843 0.000 0.927 120 P CB 0.040 30.676 31.700 -1.773 0.000 1.444 121 G N 1.631 110.190 108.800 -0.402 0.000 2.485 121 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.221 121 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.221 121 G C 1.326 176.128 174.900 -0.162 0.000 1.115 121 G CA 0.500 45.457 45.100 -0.237 0.000 0.751 121 G HN 0.267 nan 8.290 nan 0.000 0.567 122 N N 0.108 118.707 118.700 -0.168 0.000 2.336 122 N HA 0.102 4.842 4.740 -0.000 0.000 0.189 122 N C 0.634 176.108 175.510 -0.060 0.000 1.113 122 N CA 0.011 53.004 53.050 -0.094 0.000 0.858 122 N CB 0.253 38.692 38.487 -0.079 0.000 0.970 122 N HN 0.258 nan 8.380 nan 0.000 0.471 123 L N 1.763 122.896 121.223 -0.149 0.000 2.437 123 L HA 0.151 4.491 4.340 -0.000 0.000 0.243 123 L C 0.429 177.320 176.870 0.035 0.000 1.346 123 L CA -0.071 54.685 54.840 -0.139 0.000 1.233 123 L CB -0.855 40.812 42.059 -0.653 0.000 1.436 123 L HN 0.037 nan 8.230 nan 0.000 0.416 124 T N -2.633 111.987 114.554 0.110 0.000 2.812 124 T HA 0.927 5.277 4.350 -0.000 0.000 0.294 124 T C -0.120 174.646 174.700 0.111 0.000 1.159 124 T CA -0.271 61.852 62.100 0.038 0.000 1.008 124 T CB 2.820 71.686 68.868 -0.003 0.000 1.289 124 T HN 0.323 nan 8.240 nan 0.000 0.514 125 G N -1.536 107.278 108.800 0.022 0.000 2.435 125 G HA2 0.562 4.522 3.960 -0.000 0.000 0.296 125 G HA3 0.562 4.522 3.960 -0.000 0.000 0.296 125 G C 0.389 175.302 174.900 0.022 0.000 1.240 125 G CA 0.089 45.220 45.100 0.052 0.000 0.872 125 G HN 2.077 nan 8.290 nan 0.000 0.480 126 G N -0.643 108.124 108.800 -0.055 0.000 2.295 126 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.287 126 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.287 126 G C 0.602 175.797 174.900 0.491 0.000 1.055 126 G CA 1.338 46.511 45.100 0.121 0.000 0.922 126 G HN 0.826 nan 8.290 nan 0.000 0.503 127 E N -0.275 120.120 120.200 0.325 0.000 2.299 127 E HA 0.018 4.367 4.350 -0.000 0.000 0.193 127 E C 1.283 178.075 176.600 0.320 0.000 0.998 127 E CA 0.337 56.913 56.400 0.293 0.000 0.851 127 E CB 0.179 29.991 29.700 0.186 0.000 0.795 127 E HN 0.439 nan 8.360 nan 0.000 0.492 128 N N 0.691 119.626 118.700 0.391 0.000 2.469 128 N HA 0.158 4.897 4.740 -0.000 0.000 0.239 128 N C 0.213 175.888 175.510 0.274 0.000 1.053 128 N CA 0.044 53.282 53.050 0.313 0.000 0.937 128 N CB 1.129 39.802 38.487 0.309 0.000 1.163 128 N HN 0.068 nan 8.380 nan 0.000 0.509 129 A N 3.496 126.430 122.820 0.191 0.000 2.067 129 A HA 0.003 4.322 4.320 -0.000 0.000 0.219 129 A C 1.973 179.565 177.584 0.013 0.000 1.158 129 A CA 1.470 53.574 52.037 0.111 0.000 0.661 129 A CB -0.295 18.784 19.000 0.132 0.000 0.801 129 A HN 0.688 nan 8.150 nan 0.000 0.452 130 A N -0.192 122.656 122.820 0.045 0.000 1.968 130 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 130 A C 1.917 179.498 177.584 -0.005 0.000 1.169 130 A CA 1.419 53.465 52.037 0.015 0.000 0.638 130 A CB -0.329 18.695 19.000 0.040 0.000 0.812 130 A HN 0.601 nan 8.150 nan 0.000 0.446 131 E N -0.827 119.416 120.200 0.071 0.000 2.107 131 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 131 E C 2.223 178.730 176.600 -0.155 0.000 0.982 131 E CA 1.049 57.555 56.400 0.176 0.000 0.809 131 E CB -0.107 29.942 29.700 0.581 0.000 0.756 131 E HN 0.789 nan 8.360 nan 0.000 0.459 132 Q N 0.338 119.746 119.800 -0.653 0.000 2.020 132 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 132 Q C 1.041 176.778 176.000 -0.438 0.000 0.982 132 Q CA 1.411 56.454 55.803 -1.267 0.000 0.838 132 Q CB -0.096 27.988 28.738 -1.090 0.000 0.899 132 Q HN 0.241 nan 8.270 nan 0.000 0.423 133 G N 1.160 109.829 108.800 -0.219 0.000 2.601 133 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.261 133 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.261 133 G C -0.576 174.307 174.900 -0.029 0.000 1.289 133 G CA 0.040 45.106 45.100 -0.058 0.000 0.920 133 G HN 0.863 nan 8.290 nan 0.000 0.571 134 N N -2.738 115.934 118.700 -0.047 0.000 3.533 134 N HA 0.412 5.151 4.740 -0.000 0.000 0.229 134 N C -1.297 173.610 175.510 -1.004 0.000 1.418 134 N CA -0.534 52.251 53.050 -0.442 0.000 0.880 134 N CB 0.564 38.843 38.487 -0.347 0.000 1.415 134 N HN 1.192 nan 8.380 nan 0.000 0.491 135 Y N 0.833 120.134 120.300 -1.664 0.000 2.319 135 Y HA 0.586 5.136 4.550 -0.000 0.000 0.328 135 Y C -0.476 174.932 175.900 -0.821 0.000 1.133 135 Y CA -0.434 56.710 58.100 -1.593 0.000 1.265 135 Y CB 0.512 38.166 38.460 -1.343 0.000 1.218 135 Y HN 0.501 nan 8.280 nan 0.000 0.508 136 L N 5.579 126.099 121.223 -1.171 0.000 2.329 136 L HA 0.321 4.661 4.340 -0.000 0.000 0.279 136 L C -0.273 176.033 176.870 -0.940 0.000 1.014 136 L CA -1.208 53.086 54.840 -0.910 0.000 0.814 136 L CB 1.488 42.982 42.059 -0.943 0.000 1.257 136 L HN 0.660 nan 8.230 nan 0.000 0.424 137 N N 1.631 119.989 118.700 -0.570 0.000 2.447 137 N HA -0.107 4.633 4.740 -0.000 0.000 0.263 137 N C 0.580 176.014 175.510 -0.127 0.000 1.226 137 N CA 0.050 52.896 53.050 -0.340 0.000 0.906 137 N CB 0.753 39.093 38.487 -0.245 0.000 1.060 137 N HN 0.643 nan 8.380 nan 0.000 0.468 138 W N 4.521 125.696 121.300 -0.209 0.000 2.380 138 W HA 0.098 4.757 4.660 -0.000 0.000 0.317 138 W C 0.569 177.156 176.519 0.114 0.000 1.196 138 W CA 2.101 59.431 57.345 -0.025 0.000 1.307 138 W CB -0.669 28.866 29.460 0.125 0.000 1.157 138 W HN 0.643 nan 8.180 nan 0.000 0.483 139 G N -0.857 108.232 108.800 0.482 0.000 2.566 139 G HA2 0.083 4.042 3.960 -0.000 0.000 0.138 139 G HA3 0.083 4.042 3.960 -0.000 0.000 0.138 139 G C -1.694 173.321 174.900 0.191 0.000 1.133 139 G CA -0.456 44.809 45.100 0.276 0.000 1.037 139 G HN 0.012 nan 8.290 nan 0.000 0.491 140 D N -0.157 120.297 120.400 0.090 0.000 2.756 140 D HA 0.501 5.141 4.640 -0.000 0.000 0.226 140 D C -0.909 175.299 176.300 -0.154 0.000 1.186 140 D CA -0.285 53.650 54.000 -0.109 0.000 0.845 140 D CB 2.777 43.308 40.800 -0.449 0.000 1.610 140 D HN 0.333 nan 8.370 nan 0.000 0.465 141 I N 1.730 122.186 120.570 -0.191 0.000 2.336 141 I HA 0.235 4.404 4.170 -0.000 0.000 0.292 141 I C -0.915 175.065 176.117 -0.227 0.000 0.991 141 I CA -0.539 60.679 61.300 -0.135 0.000 1.227 141 I CB 0.635 38.599 38.000 -0.060 0.000 1.366 141 I HN 0.158 nan 8.210 nan 0.000 0.466 142 Y N 6.448 126.750 120.300 0.004 0.000 2.341 142 Y HA 0.528 5.078 4.550 -0.000 0.000 0.338 142 Y C -0.343 175.579 175.900 0.036 0.000 0.965 142 Y CA -0.656 57.441 58.100 -0.006 0.000 1.108 142 Y CB 1.636 40.074 38.460 -0.037 0.000 1.180 142 Y HN 0.339 nan 8.280 nan 0.000 0.458 143 L N 4.367 125.721 121.223 0.219 0.000 2.356 143 L HA 0.336 4.676 4.340 -0.000 0.000 0.264 143 L C -0.721 176.270 176.870 0.201 0.000 1.029 143 L CA -0.448 54.497 54.840 0.174 0.000 0.897 143 L CB 0.798 42.905 42.059 0.080 0.000 1.256 143 L HN 0.541 nan 8.230 nan 0.000 0.444 144 D N 1.451 121.940 120.400 0.148 0.000 2.396 144 D HA 0.114 4.754 4.640 -0.000 0.000 0.225 144 D C 0.480 176.791 176.300 0.019 0.000 1.121 144 D CA -0.173 53.876 54.000 0.082 0.000 0.853 144 D CB 0.962 41.767 40.800 0.008 0.000 1.043 144 D HN 0.331 nan 8.370 nan 0.000 0.500 145 Y N 1.789 121.932 120.300 -0.261 0.000 2.516 145 Y HA 0.076 4.626 4.550 -0.000 0.000 0.291 145 Y C 2.086 177.689 175.900 -0.495 0.000 1.131 145 Y CA 0.500 58.302 58.100 -0.496 0.000 1.281 145 Y CB 0.413 38.162 38.460 -1.185 0.000 1.013 145 Y HN 0.685 nan 8.280 nan 0.000 0.554 146 G N 0.440 109.123 108.800 -0.194 0.000 2.273 146 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.280 146 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.280 146 G C -0.182 174.749 174.900 0.051 0.000 1.047 146 G CA -0.258 44.803 45.100 -0.065 0.000 0.869 146 G HN 0.117 nan 8.290 nan 0.000 0.502 147 F N -0.039 119.944 119.950 0.055 0.000 2.490 147 F HA 0.287 4.814 4.527 -0.000 0.000 0.336 147 F C 1.629 177.462 175.800 0.054 0.000 1.178 147 F CA -0.887 57.146 58.000 0.053 0.000 1.301 147 F CB 0.410 39.325 39.000 -0.141 0.000 1.175 147 F HN -0.009 nan 8.300 nan 0.000 0.593 148 N N 0.384 119.279 118.700 0.325 0.000 2.409 148 N HA -0.039 4.701 4.740 -0.000 0.000 0.179 148 N C -0.241 175.354 175.510 0.141 0.000 1.032 148 N CA 0.858 54.016 53.050 0.181 0.000 0.898 148 N CB -0.339 38.234 38.487 0.144 0.000 0.971 148 N HN 0.713 nan 8.380 nan 0.000 0.441 149 D N -3.240 117.266 120.400 0.178 0.000 2.759 149 D HA 0.197 4.837 4.640 -0.000 0.000 0.321 149 D C -0.250 176.094 176.300 0.074 0.000 1.267 149 D CA -0.663 53.403 54.000 0.111 0.000 0.933 149 D CB 0.359 41.219 40.800 0.099 0.000 1.431 149 D HN -0.078 nan 8.370 nan 0.000 0.504 150 T N -3.307 111.251 114.554 0.006 0.000 3.266 150 T HA 0.284 4.634 4.350 -0.000 0.000 0.278 150 T C -0.054 174.604 174.700 -0.069 0.000 1.010 150 T CA -0.427 61.612 62.100 -0.101 0.000 0.909 150 T CB -0.726 68.069 68.868 -0.122 0.000 1.122 150 T HN 0.358 nan 8.240 nan 0.000 0.536 151 T N 3.436 118.027 114.554 0.061 0.000 2.817 151 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 151 T C 0.414 175.203 174.700 0.149 0.000 0.958 151 T CA -0.263 61.882 62.100 0.075 0.000 1.157 151 T CB 0.580 69.486 68.868 0.063 0.000 0.898 151 T HN 0.615 nan 8.240 nan 0.000 0.536 152 V N 0.886 120.849 119.914 0.083 0.000 3.160 152 V HA 1.003 5.123 4.120 -0.000 0.000 0.310 152 V C -0.254 175.929 176.094 0.149 0.000 1.181 152 V CA -1.110 61.286 62.300 0.160 0.000 1.047 152 V CB 2.181 34.096 31.823 0.153 0.000 1.068 152 V HN 0.915 nan 8.190 nan 0.000 0.441 153 T N -2.255 112.419 114.554 0.200 0.000 2.883 153 T HA 0.698 5.048 4.350 -0.000 0.000 0.296 153 T C -0.304 174.526 174.700 0.217 0.000 1.117 153 T CA 0.086 62.288 62.100 0.169 0.000 1.006 153 T CB 1.681 70.616 68.868 0.112 0.000 1.191 153 T HN 1.328 nan 8.240 nan 0.000 0.508 154 E N -0.881 119.430 120.200 0.185 0.000 2.389 154 E HA -0.234 4.116 4.350 -0.000 0.000 0.243 154 E C -1.121 175.612 176.600 0.223 0.000 1.154 154 E CA 0.260 56.763 56.400 0.171 0.000 0.723 154 E CB -1.861 27.909 29.700 0.117 0.000 1.261 154 E HN 0.650 nan 8.360 nan 0.000 0.390 155 Y N 1.138 121.538 120.300 0.167 0.000 2.335 155 Y HA 0.336 4.886 4.550 -0.000 0.000 0.331 155 Y C 0.345 176.353 175.900 0.180 0.000 1.094 155 Y CA -0.168 58.050 58.100 0.197 0.000 1.253 155 Y CB 0.711 39.250 38.460 0.132 0.000 1.203 155 Y HN 0.095 nan 8.280 nan 0.000 0.508 156 R N 6.197 126.525 120.500 -0.288 0.000 2.651 156 R HA 0.493 4.833 4.340 -0.000 0.000 0.278 156 R C -1.557 174.552 176.300 -0.319 0.000 1.010 156 R CA -1.046 55.012 56.100 -0.069 0.000 0.896 156 R CB 1.473 31.820 30.300 0.077 0.000 1.211 156 R HN 0.921 nan 8.270 nan 0.000 0.456 157 R N 1.249 121.770 120.500 0.034 0.000 2.686 157 R HA 0.528 4.868 4.340 -0.000 0.000 0.286 157 R C -1.599 174.745 176.300 0.073 0.000 0.969 157 R CA -0.832 55.277 56.100 0.015 0.000 0.898 157 R CB 1.956 32.338 30.300 0.137 0.000 1.183 157 R HN 0.680 nan 8.270 nan 0.000 0.456 158 D N 1.292 121.615 120.400 -0.128 0.000 2.579 158 D HA 0.403 5.043 4.640 -0.000 0.000 0.257 158 D C -1.438 174.697 176.300 -0.275 0.000 1.176 158 D CA -0.916 52.947 54.000 -0.229 0.000 0.914 158 D CB 1.563 41.907 40.800 -0.759 0.000 1.431 158 D HN 0.376 nan 8.370 nan 0.000 0.454 159 L N 1.305 122.365 121.223 -0.272 0.000 2.343 159 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 159 L C -1.150 175.497 176.870 -0.372 0.000 0.996 159 L CA -0.563 54.105 54.840 -0.287 0.000 0.831 159 L CB 1.246 43.159 42.059 -0.244 0.000 1.232 159 L HN 0.562 nan 8.230 nan 0.000 0.413 160 N N 5.250 123.716 118.700 -0.390 0.000 2.482 160 N HA 0.165 4.904 4.740 -0.000 0.000 0.242 160 N C 0.861 176.259 175.510 -0.187 0.000 1.100 160 N CA -0.032 52.863 53.050 -0.259 0.000 0.946 160 N CB 0.584 38.933 38.487 -0.231 0.000 1.227 160 N HN 0.779 nan 8.380 nan 0.000 0.508 161 L N 1.527 122.626 121.223 -0.206 0.000 2.141 161 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 161 L C 1.946 178.478 176.870 -0.563 0.000 1.094 161 L CA 0.761 55.398 54.840 -0.340 0.000 0.763 161 L CB -0.269 41.681 42.059 -0.182 0.000 0.908 161 L HN 0.408 nan 8.230 nan 0.000 0.437 162 S N -0.172 115.299 115.700 -0.382 0.000 2.387 162 S HA -0.101 4.369 4.470 -0.000 0.000 0.226 162 S C 1.747 176.342 174.600 -0.008 0.000 1.026 162 S CA 1.136 59.176 58.200 -0.266 0.000 0.972 162 S CB -0.021 63.236 63.200 0.096 0.000 0.814 162 S HN 0.402 nan 8.310 nan 0.000 0.477 163 K N 0.329 120.688 120.400 -0.070 0.000 2.358 163 K HA 0.258 4.578 4.320 -0.000 0.000 0.200 163 K C 0.749 177.123 176.600 -0.376 0.000 1.030 163 K CA 0.270 56.483 56.287 -0.123 0.000 1.097 163 K CB 0.598 33.059 32.500 -0.065 0.000 0.862 163 K HN 0.340 nan 8.250 nan 0.000 0.534 164 G N 3.422 111.871 108.800 -0.584 0.000 2.338 164 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.296 164 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.296 164 G C -0.419 174.539 174.900 0.097 0.000 1.040 164 G CA 1.019 45.845 45.100 -0.456 0.000 1.004 164 G HN 0.412 nan 8.290 nan 0.000 0.509 165 K N -1.650 118.761 120.400 0.018 0.000 2.551 165 K HA 0.844 5.164 4.320 -0.000 0.000 0.269 165 K C -0.510 176.028 176.600 -0.104 0.000 0.949 165 K CA -0.611 55.675 56.287 -0.002 0.000 0.849 165 K CB 1.683 34.209 32.500 0.043 0.000 1.411 165 K HN 1.099 nan 8.250 nan 0.000 0.432 166 A N 1.997 124.731 122.820 -0.143 0.000 2.324 166 A HA 0.564 4.884 4.320 -0.000 0.000 0.330 166 A C -1.191 176.349 177.584 -0.073 0.000 1.165 166 A CA -0.674 51.299 52.037 -0.107 0.000 0.813 166 A CB 0.722 19.700 19.000 -0.036 0.000 1.197 166 A HN 0.777 nan 8.150 nan 0.000 0.484 167 D N 0.656 120.965 120.400 -0.152 0.000 2.575 167 D HA 0.576 5.216 4.640 -0.000 0.000 0.236 167 D C -1.163 175.056 176.300 -0.134 0.000 1.075 167 D CA -0.136 53.753 54.000 -0.184 0.000 0.860 167 D CB 2.251 42.861 40.800 -0.316 0.000 1.475 167 D HN 0.226 nan 8.370 nan 0.000 0.474 168 V N 0.560 120.402 119.914 -0.120 0.000 2.808 168 V HA 0.603 4.723 4.120 -0.000 0.000 0.308 168 V C -0.227 175.765 176.094 -0.169 0.000 1.099 168 V CA -0.523 61.711 62.300 -0.111 0.000 0.920 168 V CB 2.186 34.043 31.823 0.056 0.000 1.014 168 V HN 0.637 nan 8.190 nan 0.000 0.425 169 T N 4.498 118.912 114.554 -0.233 0.000 2.923 169 T HA 0.896 5.246 4.350 -0.000 0.000 0.311 169 T C -1.577 173.055 174.700 -0.113 0.000 1.183 169 T CA -0.359 61.611 62.100 -0.217 0.000 1.020 169 T CB 1.312 70.083 68.868 -0.162 0.000 1.165 169 T HN 1.040 nan 8.240 nan 0.000 0.482 170 F N 0.507 120.421 119.950 -0.060 0.000 2.770 170 F HA 0.679 5.206 4.527 -0.000 0.000 0.313 170 F C -1.517 174.368 175.800 0.140 0.000 1.154 170 F CA -1.303 56.728 58.000 0.052 0.000 0.923 170 F CB 1.288 40.386 39.000 0.164 0.000 1.301 170 F HN 0.588 nan 8.300 nan 0.000 0.449 171 K N 1.210 121.845 120.400 0.391 0.000 2.274 171 K HA 0.527 4.847 4.320 -0.000 0.000 0.262 171 K C -2.030 174.825 176.600 0.425 0.000 0.961 171 K CA -0.690 55.769 56.287 0.287 0.000 0.833 171 K CB 0.977 33.564 32.500 0.145 0.000 1.102 171 K HN 0.933 nan 8.250 nan 0.000 0.436 172 H N 3.195 122.442 119.070 0.295 0.000 2.924 172 H HA 0.209 4.764 4.556 -0.000 0.000 0.333 172 H C -1.290 174.067 175.328 0.048 0.000 0.979 172 H CA -0.298 55.823 56.048 0.122 0.000 1.326 172 H CB 0.860 30.589 29.762 -0.055 0.000 1.600 172 H HN 0.754 nan 8.280 nan 0.000 0.520 173 D N 4.317 124.478 120.400 -0.399 0.000 2.735 173 D HA -0.153 4.486 4.640 -0.000 0.000 0.235 173 D C 1.265 177.504 176.300 -0.102 0.000 1.175 173 D CA 2.103 55.918 54.000 -0.307 0.000 0.683 173 D CB -1.254 39.271 40.800 -0.459 0.000 1.008 173 D HN 1.139 nan 8.370 nan 0.000 0.416 174 G N -2.255 106.515 108.800 -0.050 0.000 2.184 174 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.264 174 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.264 174 G C 0.366 175.249 174.900 -0.027 0.000 0.975 174 G CA 0.381 45.465 45.100 -0.026 0.000 0.642 174 G HN 0.758 nan 8.290 nan 0.000 0.536 175 V N 0.934 120.841 119.914 -0.011 0.000 2.540 175 V HA 0.632 4.752 4.120 -0.000 0.000 0.302 175 V C 0.382 176.376 176.094 -0.167 0.000 1.035 175 V CA -0.342 61.880 62.300 -0.129 0.000 0.873 175 V CB 1.927 33.623 31.823 -0.211 0.000 0.992 175 V HN 0.221 nan 8.190 nan 0.000 0.428 176 T N 4.733 119.135 114.554 -0.254 0.000 2.749 176 T HA 0.506 4.856 4.350 -0.000 0.000 0.295 176 T C -0.814 173.602 174.700 -0.474 0.000 0.936 176 T CA 0.182 62.134 62.100 -0.247 0.000 1.060 176 T CB -0.019 68.757 68.868 -0.154 0.000 0.904 176 T HN 0.427 nan 8.240 nan 0.000 0.500 177 Y N 2.132 122.182 120.300 -0.418 0.000 2.341 177 Y HA 0.503 5.052 4.550 -0.000 0.000 0.337 177 Y C 1.083 176.643 175.900 -0.566 0.000 1.014 177 Y CA -0.869 56.925 58.100 -0.510 0.000 1.111 177 Y CB 1.568 39.534 38.460 -0.823 0.000 1.194 177 Y HN 0.629 nan 8.280 nan 0.000 0.462 178 T N 1.864 116.290 114.554 -0.215 0.000 2.887 178 T HA 0.804 5.154 4.350 -0.000 0.000 0.288 178 T C -0.727 173.861 174.700 -0.188 0.000 1.021 178 T CA -1.151 60.822 62.100 -0.210 0.000 1.000 178 T CB 1.650 70.416 68.868 -0.170 0.000 1.034 178 T HN 0.656 nan 8.240 nan 0.000 0.467 179 R N 1.426 121.794 120.500 -0.221 0.000 2.673 179 R HA 0.612 4.952 4.340 -0.000 0.000 0.281 179 R C -1.143 174.900 176.300 -0.428 0.000 0.991 179 R CA -0.865 55.025 56.100 -0.349 0.000 0.896 179 R CB 2.550 32.682 30.300 -0.280 0.000 1.201 179 R HN 0.859 nan 8.270 nan 0.000 0.457 180 E N 2.594 122.440 120.200 -0.590 0.000 2.275 180 E HA 0.373 4.723 4.350 -0.000 0.000 0.270 180 E C -1.622 174.598 176.600 -0.633 0.000 0.882 180 E CA -0.648 55.501 56.400 -0.419 0.000 0.758 180 E CB 1.553 31.178 29.700 -0.125 0.000 1.195 180 E HN 0.489 nan 8.360 nan 0.000 0.419 181 Y N 3.515 123.674 120.300 -0.235 0.000 2.406 181 Y HA 0.519 5.069 4.550 -0.000 0.000 0.340 181 Y C -0.488 175.018 175.900 -0.657 0.000 0.975 181 Y CA -0.863 56.933 58.100 -0.508 0.000 1.056 181 Y CB 1.335 39.393 38.460 -0.669 0.000 1.210 181 Y HN 0.435 nan 8.280 nan 0.000 0.448 182 F N -0.263 119.423 119.950 -0.441 0.000 2.686 182 F HA 0.977 5.503 4.527 -0.000 0.000 0.311 182 F C -1.392 174.435 175.800 0.045 0.000 1.128 182 F CA -1.885 55.881 58.000 -0.389 0.000 0.946 182 F CB 1.376 40.101 39.000 -0.459 0.000 1.336 182 F HN 0.490 nan 8.300 nan 0.000 0.457 183 A N 1.674 124.748 122.820 0.423 0.000 2.310 183 A HA 0.609 4.929 4.320 -0.000 0.000 0.304 183 A C -0.566 177.180 177.584 0.270 0.000 1.231 183 A CA -0.588 51.658 52.037 0.348 0.000 0.799 183 A CB 0.676 19.914 19.000 0.396 0.000 1.162 183 A HN 0.961 nan 8.150 nan 0.000 0.486 184 S N 1.840 117.707 115.700 0.279 0.000 2.505 184 S HA 0.052 4.522 4.470 -0.000 0.000 0.276 184 S C 1.199 175.980 174.600 0.302 0.000 1.274 184 S CA -0.329 58.094 58.200 0.373 0.000 1.053 184 S CB 0.219 63.652 63.200 0.388 0.000 0.919 184 S HN 0.789 nan 8.310 nan 0.000 0.490 185 N N 5.141 124.032 118.700 0.318 0.000 2.173 185 N HA 0.029 4.769 4.740 -0.000 0.000 0.184 185 N C -1.142 174.475 175.510 0.178 0.000 1.025 185 N CA 1.058 54.239 53.050 0.217 0.000 0.852 185 N CB -0.994 37.611 38.487 0.196 0.000 0.998 185 N HN 0.474 nan 8.380 nan 0.000 0.427 186 P HA -0.043 nan 4.420 nan 0.000 0.218 186 P C 0.228 177.605 177.300 0.128 0.000 1.148 186 P CA 1.312 64.495 63.100 0.138 0.000 0.822 186 P CB 0.004 31.783 31.700 0.131 0.000 0.784 187 D N -2.511 117.981 120.400 0.154 0.000 2.395 187 D HA 0.036 4.676 4.640 -0.000 0.000 0.213 187 D C 0.149 176.526 176.300 0.128 0.000 1.110 187 D CA -0.003 54.075 54.000 0.130 0.000 0.835 187 D CB -0.558 40.325 40.800 0.139 0.000 0.965 187 D HN -0.034 nan 8.370 nan 0.000 0.505 188 N N 0.870 119.656 118.700 0.142 0.000 2.727 188 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 188 N C -1.307 174.283 175.510 0.134 0.000 1.048 188 N CA 0.308 53.436 53.050 0.130 0.000 0.714 188 N CB -1.108 37.442 38.487 0.105 0.000 0.959 188 N HN 0.136 nan 8.380 nan 0.000 0.544 189 V N 0.658 120.668 119.914 0.161 0.000 2.969 189 V HA 0.541 4.661 4.120 -0.000 0.000 0.304 189 V C -0.496 175.697 176.094 0.164 0.000 1.192 189 V CA -0.902 61.498 62.300 0.166 0.000 0.962 189 V CB 1.984 33.913 31.823 0.177 0.000 1.045 189 V HN 0.291 nan 8.190 nan 0.000 0.428 190 M N 6.108 125.802 119.600 0.157 0.000 2.188 190 M HA 0.689 5.168 4.480 -0.000 0.000 0.357 190 M C -1.592 174.696 176.300 -0.021 0.000 1.204 190 M CA -0.261 55.117 55.300 0.131 0.000 1.095 190 M CB 1.375 34.129 32.600 0.257 0.000 1.604 190 M HN 0.531 nan 8.290 nan 0.000 0.464 191 V N 4.458 124.172 119.914 -0.334 0.000 2.495 191 V HA 0.744 4.864 4.120 -0.000 0.000 0.298 191 V C -0.368 175.457 176.094 -0.448 0.000 1.031 191 V CA -0.821 61.152 62.300 -0.544 0.000 0.871 191 V CB 1.447 32.664 31.823 -1.009 0.000 0.988 191 V HN 0.925 nan 8.190 nan 0.000 0.432 192 A N 4.439 127.060 122.820 -0.331 0.000 2.285 192 A HA 0.790 5.110 4.320 -0.000 0.000 0.310 192 A C -0.318 177.010 177.584 -0.427 0.000 1.266 192 A CA -0.681 51.157 52.037 -0.331 0.000 0.832 192 A CB 0.655 19.592 19.000 -0.106 0.000 1.163 192 A HN 0.770 nan 8.150 nan 0.000 0.499 193 R N 2.830 123.048 120.500 -0.470 0.000 2.207 193 R HA 0.622 4.962 4.340 -0.000 0.000 0.334 193 R C -1.489 174.571 176.300 -0.400 0.000 1.013 193 R CA -0.066 55.743 56.100 -0.484 0.000 0.858 193 R CB -0.065 29.893 30.300 -0.570 0.000 1.094 193 R HN 0.613 nan 8.270 nan 0.000 0.457 194 L N 4.208 125.240 121.223 -0.318 0.000 2.356 194 L HA 0.594 4.934 4.340 -0.000 0.000 0.277 194 L C -0.119 176.680 176.870 -0.117 0.000 0.996 194 L CA -0.809 53.898 54.840 -0.222 0.000 0.822 194 L CB 2.132 44.025 42.059 -0.277 0.000 1.256 194 L HN 0.814 nan 8.230 nan 0.000 0.413 195 T N -0.035 114.475 114.554 -0.074 0.000 2.906 195 T HA 0.904 5.253 4.350 -0.000 0.000 0.295 195 T C -0.649 174.030 174.700 -0.034 0.000 1.075 195 T CA -0.707 61.360 62.100 -0.055 0.000 1.005 195 T CB 2.336 71.144 68.868 -0.101 0.000 1.136 195 T HN 0.687 nan 8.240 nan 0.000 0.498 196 A N 0.901 123.670 122.820 -0.085 0.000 2.380 196 A HA 0.727 5.046 4.320 -0.000 0.000 0.315 196 A C 1.056 178.503 177.584 -0.229 0.000 1.101 196 A CA -0.304 51.556 52.037 -0.294 0.000 0.771 196 A CB 1.450 20.300 19.000 -0.249 0.000 1.287 196 A HN 1.383 nan 8.150 nan 0.000 0.436 197 S N 0.219 115.747 115.700 -0.287 0.000 2.527 197 S HA 0.108 4.578 4.470 -0.000 0.000 0.222 197 S C 0.520 175.051 174.600 -0.116 0.000 0.985 197 S CA 0.590 58.687 58.200 -0.172 0.000 0.921 197 S CB -0.208 62.895 63.200 -0.162 0.000 0.772 197 S HN 0.572 nan 8.310 nan 0.000 0.529 198 K N 1.306 121.635 120.400 -0.118 0.000 2.324 198 K HA 0.669 4.989 4.320 -0.000 0.000 0.253 198 K C -0.640 175.940 176.600 -0.034 0.000 0.932 198 K CA -0.589 55.661 56.287 -0.062 0.000 0.799 198 K CB 2.035 34.506 32.500 -0.048 0.000 1.154 198 K HN 0.221 nan 8.250 nan 0.000 0.425 199 A N 0.906 123.716 122.820 -0.016 0.000 2.531 199 A HA 0.374 4.694 4.320 -0.000 0.000 0.236 199 A C 1.230 178.824 177.584 0.017 0.000 1.062 199 A CA 1.148 53.184 52.037 -0.000 0.000 0.760 199 A CB -0.591 18.409 19.000 -0.000 0.000 0.995 199 A HN 0.993 nan 8.150 nan 0.000 0.501 200 G N 1.289 110.106 108.800 0.028 0.000 2.189 200 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 200 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 200 G C 0.787 175.737 174.900 0.084 0.000 0.975 200 G CA 0.793 45.920 45.100 0.045 0.000 0.644 200 G HN 0.693 nan 8.290 nan 0.000 0.537 201 K N -0.786 119.674 120.400 0.100 0.000 2.374 201 K HA 0.307 4.627 4.320 -0.000 0.000 0.196 201 K C 0.744 177.548 176.600 0.340 0.000 1.023 201 K CA -0.192 56.208 56.287 0.189 0.000 1.103 201 K CB 0.316 32.893 32.500 0.128 0.000 0.848 201 K HN 0.448 nan 8.250 nan 0.000 0.528 202 L N 2.768 124.146 121.223 0.260 0.000 2.282 202 L HA 0.242 4.582 4.340 -0.000 0.000 0.287 202 L C -1.065 175.938 176.870 0.221 0.000 1.075 202 L CA 0.091 55.139 54.840 0.347 0.000 0.839 202 L CB 0.082 42.307 42.059 0.276 0.000 1.219 202 L HN 0.005 nan 8.230 nan 0.000 0.434 203 N N 6.617 125.448 118.700 0.217 0.000 2.461 203 N HA 0.533 5.273 4.740 -0.000 0.000 0.284 203 N C -1.342 174.133 175.510 -0.059 0.000 1.049 203 N CA -0.170 52.896 53.050 0.026 0.000 0.889 203 N CB 1.829 40.351 38.487 0.059 0.000 1.365 203 N HN 0.470 nan 8.380 nan 0.000 0.499 204 F N -0.665 119.090 119.950 -0.325 0.000 2.645 204 F HA 0.480 5.007 4.527 -0.000 0.000 0.310 204 F C -0.814 174.848 175.800 -0.229 0.000 1.102 204 F CA -1.202 56.551 58.000 -0.412 0.000 0.952 204 F CB 1.421 39.952 39.000 -0.782 0.000 1.326 204 F HN 0.095 nan 8.300 nan 0.000 0.456 205 N N 1.669 120.338 118.700 -0.050 0.000 2.426 205 N HA 0.380 5.120 4.740 -0.000 0.000 0.275 205 N C -1.606 173.967 175.510 0.104 0.000 1.019 205 N CA -0.163 52.860 53.050 -0.044 0.000 0.941 205 N CB 1.873 40.336 38.487 -0.039 0.000 1.123 205 N HN 0.594 nan 8.380 nan 0.000 0.486 206 V N 3.213 123.170 119.914 0.072 0.000 2.364 206 V HA 0.318 4.438 4.120 -0.000 0.000 0.272 206 V C 0.212 176.350 176.094 0.072 0.000 1.036 206 V CA -0.443 61.934 62.300 0.129 0.000 0.880 206 V CB 0.708 32.605 31.823 0.123 0.000 0.991 206 V HN 0.791 nan 8.190 nan 0.000 0.460 207 S N 4.438 120.199 115.700 0.101 0.000 2.632 207 S HA 0.835 5.304 4.470 -0.000 0.000 0.289 207 S C -0.599 174.062 174.600 0.101 0.000 1.115 207 S CA -0.853 57.400 58.200 0.089 0.000 0.889 207 S CB 2.265 65.516 63.200 0.085 0.000 1.116 207 S HN 0.662 nan 8.310 nan 0.000 0.486 208 M N 1.961 121.607 119.600 0.077 0.000 2.850 208 M HA 0.328 4.808 4.480 -0.000 0.000 0.288 208 M C -2.881 173.479 176.300 0.101 0.000 1.450 208 M CA -1.552 53.776 55.300 0.046 0.000 0.555 208 M CB 1.274 33.845 32.600 -0.047 0.000 1.507 208 M HN 0.483 nan 8.290 nan 0.000 0.415 209 P HA 0.158 nan 4.420 nan 0.000 0.271 209 P C -0.359 177.009 177.300 0.115 0.000 1.216 209 P CA 0.208 63.374 63.100 0.110 0.000 0.771 209 P CB 0.535 32.304 31.700 0.115 0.000 0.864 210 T N 0.226 114.820 114.554 0.067 0.000 2.918 210 T HA 0.062 4.411 4.350 -0.000 0.000 0.302 210 T C 0.671 175.279 174.700 -0.153 0.000 1.045 210 T CA -0.789 61.299 62.100 -0.020 0.000 1.114 210 T CB 0.079 68.828 68.868 -0.198 0.000 0.965 210 T HN 0.360 nan 8.240 nan 0.000 0.540 211 N N 1.537 120.142 118.700 -0.159 0.000 2.357 211 N HA -0.067 4.673 4.740 -0.000 0.000 0.257 211 N C 1.344 176.577 175.510 -0.463 0.000 1.250 211 N CA 0.595 53.518 53.050 -0.213 0.000 0.862 211 N CB 0.938 39.401 38.487 -0.041 0.000 1.066 211 N HN 0.893 nan 8.380 nan 0.000 0.468 212 T N -0.234 114.153 114.554 -0.279 0.000 3.129 212 T HA 0.125 4.474 4.350 -0.000 0.000 0.251 212 T C 0.750 175.301 174.700 -0.247 0.000 1.117 212 T CA 0.171 62.106 62.100 -0.275 0.000 1.034 212 T CB -0.020 68.750 68.868 -0.163 0.000 0.968 212 T HN 0.452 nan 8.240 nan 0.000 0.526 213 N N 0.869 119.434 118.700 -0.225 0.000 2.236 213 N HA 0.151 4.891 4.740 -0.000 0.000 0.196 213 N C -0.475 174.997 175.510 -0.064 0.000 1.114 213 N CA -0.068 52.906 53.050 -0.127 0.000 0.859 213 N CB 0.435 38.863 38.487 -0.099 0.000 0.982 213 N HN 0.722 nan 8.380 nan 0.000 0.493 214 Y N -0.951 119.257 120.300 -0.154 0.000 2.509 214 Y HA 0.606 5.156 4.550 -0.000 0.000 0.341 214 Y C 0.049 175.872 175.900 -0.127 0.000 1.038 214 Y CA -1.324 56.681 58.100 -0.159 0.000 1.089 214 Y CB 0.615 38.945 38.460 -0.217 0.000 1.241 214 Y HN -0.312 nan 8.280 nan 0.000 0.468 215 S N 2.752 118.510 115.700 0.096 0.000 2.528 215 S HA 0.395 4.864 4.470 -0.000 0.000 0.277 215 S C -0.697 173.960 174.600 0.095 0.000 1.297 215 S CA -0.725 57.497 58.200 0.037 0.000 1.052 215 S CB 0.154 63.373 63.200 0.031 0.000 0.917 215 S HN 0.568 nan 8.310 nan 0.000 0.492 216 K N 1.698 122.122 120.400 0.040 0.000 2.422 216 K HA 0.492 4.811 4.320 -0.000 0.000 0.251 216 K C -1.038 175.599 176.600 0.062 0.000 0.933 216 K CA -0.614 55.735 56.287 0.103 0.000 0.798 216 K CB 2.109 34.663 32.500 0.090 0.000 1.238 216 K HN 0.398 nan 8.250 nan 0.000 0.428 217 T N 0.683 115.279 114.554 0.070 0.000 2.779 217 T HA 0.403 4.753 4.350 -0.000 0.000 0.280 217 T C 0.552 175.252 174.700 0.000 0.000 0.987 217 T CA -0.133 61.981 62.100 0.024 0.000 0.966 217 T CB 1.456 70.334 68.868 0.016 0.000 0.933 217 T HN 0.847 nan 8.240 nan 0.000 0.442 218 G N 2.749 111.544 108.800 -0.009 0.000 2.305 218 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.287 218 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.287 218 G C -0.029 174.848 174.900 -0.038 0.000 1.036 218 G CA 0.264 45.349 45.100 -0.025 0.000 0.887 218 G HN 0.821 nan 8.290 nan 0.000 0.505 219 E N 0.625 120.818 120.200 -0.012 0.000 2.360 219 E HA 0.476 4.826 4.350 -0.000 0.000 0.269 219 E C 0.758 177.357 176.600 -0.001 0.000 1.022 219 E CA 0.455 56.854 56.400 -0.001 0.000 0.887 219 E CB 0.420 30.168 29.700 0.081 0.000 0.990 219 E HN 0.465 nan 8.360 nan 0.000 0.426 220 T N 0.515 115.067 114.554 -0.002 0.000 2.900 220 T HA 0.453 4.803 4.350 -0.000 0.000 0.295 220 T C -0.522 174.194 174.700 0.027 0.000 1.044 220 T CA -0.912 61.191 62.100 0.006 0.000 0.995 220 T CB 1.829 70.693 68.868 -0.006 0.000 1.072 220 T HN 0.222 nan 8.240 nan 0.000 0.473 221 T N 2.842 117.411 114.554 0.025 0.000 2.791 221 T HA 0.671 5.021 4.350 -0.000 0.000 0.288 221 T C -0.049 174.662 174.700 0.018 0.000 0.999 221 T CA -0.692 61.427 62.100 0.032 0.000 0.952 221 T CB 1.083 69.971 68.868 0.034 0.000 0.938 221 T HN 1.028 nan 8.240 nan 0.000 0.444 222 T N 0.081 114.647 114.554 0.020 0.000 2.887 222 T HA 0.778 5.128 4.350 -0.000 0.000 0.288 222 T C -0.458 174.248 174.700 0.011 0.000 1.021 222 T CA -0.741 61.366 62.100 0.011 0.000 1.000 222 T CB 1.330 70.204 68.868 0.010 0.000 1.034 222 T HN 0.262 nan 8.240 nan 0.000 0.467 223 V N 2.732 122.648 119.914 0.003 0.000 2.581 223 V HA 0.614 4.734 4.120 -0.000 0.000 0.303 223 V C -0.181 175.912 176.094 -0.001 0.000 1.041 223 V CA -0.903 61.397 62.300 -0.000 0.000 0.907 223 V CB 1.759 33.576 31.823 -0.009 0.000 0.994 223 V HN 0.988 nan 8.190 nan 0.000 0.442 224 K N 3.043 123.444 120.400 0.001 0.000 3.050 224 K HA 0.306 4.626 4.320 -0.000 0.000 0.185 224 K C 0.309 176.909 176.600 0.001 0.000 1.147 224 K CA -0.513 55.775 56.287 0.002 0.000 0.916 224 K CB 1.587 34.091 32.500 0.007 0.000 1.119 224 K HN 0.879 nan 8.250 nan 0.000 0.605 225 G N 2.025 110.821 108.800 -0.007 0.000 2.115 225 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.244 225 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.244 225 G C 0.455 175.355 174.900 -0.001 0.000 1.105 225 G CA 0.192 45.286 45.100 -0.010 0.000 0.893 225 G HN 0.630 nan 8.290 nan 0.000 0.443 226 D N 0.418 120.822 120.400 0.008 0.000 2.342 226 D HA 0.084 4.724 4.640 -0.000 0.000 0.221 226 D C 0.571 176.882 176.300 0.018 0.000 1.101 226 D CA -0.085 53.921 54.000 0.010 0.000 0.837 226 D CB 0.237 41.052 40.800 0.024 0.000 0.938 226 D HN 0.170 nan 8.370 nan 0.000 0.508 227 T N 0.816 115.380 114.554 0.017 0.000 2.848 227 T HA 0.445 4.794 4.350 -0.000 0.000 0.285 227 T C -0.889 173.821 174.700 0.017 0.000 0.995 227 T CA -0.753 61.362 62.100 0.025 0.000 0.970 227 T CB 1.965 70.853 68.868 0.032 0.000 0.976 227 T HN 0.046 nan 8.240 nan 0.000 0.441 228 L N 3.534 124.768 121.223 0.018 0.000 2.282 228 L HA 0.682 5.022 4.340 -0.000 0.000 0.288 228 L C -0.455 176.431 176.870 0.027 0.000 1.033 228 L CA 0.244 55.094 54.840 0.017 0.000 0.807 228 L CB 1.247 43.313 42.059 0.013 0.000 1.209 228 L HN 0.614 nan 8.230 nan 0.000 0.423 229 T N 4.642 119.218 114.554 0.036 0.000 2.812 229 T HA 0.598 4.948 4.350 -0.000 0.000 0.282 229 T C -0.774 173.971 174.700 0.075 0.000 0.990 229 T CA -0.427 61.706 62.100 0.055 0.000 0.960 229 T CB 1.483 70.380 68.868 0.049 0.000 0.948 229 T HN 0.335 nan 8.240 nan 0.000 0.438 230 V N 4.865 124.854 119.914 0.126 0.000 2.459 230 V HA 0.725 4.845 4.120 -0.000 0.000 0.295 230 V C -0.172 176.055 176.094 0.221 0.000 1.029 230 V CA -0.841 61.566 62.300 0.180 0.000 0.874 230 V CB 1.324 33.294 31.823 0.244 0.000 0.985 230 V HN 0.934 nan 8.190 nan 0.000 0.438 231 K N 2.922 123.384 120.400 0.103 0.000 2.562 231 K HA 0.887 5.207 4.320 -0.000 0.000 0.267 231 K C -0.495 175.895 176.600 -0.351 0.000 0.938 231 K CA -0.645 55.580 56.287 -0.103 0.000 0.840 231 K CB 2.580 35.048 32.500 -0.052 0.000 1.390 231 K HN 0.954 nan 8.250 nan 0.000 0.428 232 G N 0.132 108.367 108.800 -0.941 0.000 2.427 232 G HA2 0.638 4.598 3.960 -0.000 0.000 0.306 232 G HA3 0.638 4.598 3.960 -0.000 0.000 0.306 232 G C -1.914 172.438 174.900 -0.913 0.000 1.280 232 G CA -0.402 44.240 45.100 -0.764 0.000 0.837 232 G HN 0.821 nan 8.290 nan 0.000 0.482 233 A N -0.731 121.892 122.820 -0.327 0.000 2.454 233 A HA 0.801 5.120 4.320 -0.000 0.000 0.302 233 A C -0.377 177.349 177.584 0.236 0.000 1.079 233 A CA -0.636 51.377 52.037 -0.040 0.000 0.731 233 A CB 1.183 20.166 19.000 -0.029 0.000 1.299 233 A HN 0.870 nan 8.150 nan 0.000 0.413 234 L N 2.057 123.432 121.223 0.252 0.000 2.455 234 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 234 L C 1.799 178.724 176.870 0.092 0.000 1.174 234 L CA 0.197 55.137 54.840 0.167 0.000 0.869 234 L CB 0.688 42.776 42.059 0.048 0.000 1.130 234 L HN 1.059 nan 8.230 nan 0.000 0.474 235 G N 2.574 111.426 108.800 0.086 0.000 2.440 235 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.218 235 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.218 235 G C 1.371 176.282 174.900 0.019 0.000 1.154 235 G CA 0.756 45.882 45.100 0.045 0.000 0.767 235 G HN 0.846 nan 8.290 nan 0.000 0.552 236 N N 2.039 120.744 118.700 0.008 0.000 2.120 236 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 236 N C 1.456 176.945 175.510 -0.035 0.000 1.024 236 N CA 1.951 54.991 53.050 -0.016 0.000 0.852 236 N CB -0.190 38.278 38.487 -0.033 0.000 1.003 236 N HN 0.461 nan 8.380 nan 0.000 0.424 237 N N -2.189 116.486 118.700 -0.040 0.000 2.082 237 N HA 0.149 4.889 4.740 -0.000 0.000 0.228 237 N C 0.884 176.370 175.510 -0.039 0.000 1.341 237 N CA 0.693 53.699 53.050 -0.075 0.000 0.873 237 N CB 0.001 38.389 38.487 -0.165 0.000 1.137 237 N HN 0.233 nan 8.380 nan 0.000 0.505 238 G N 0.680 109.480 108.800 0.001 0.000 2.162 238 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 238 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 238 G C -0.239 174.685 174.900 0.041 0.000 0.976 238 G CA 0.301 45.411 45.100 0.016 0.000 0.655 238 G HN 0.469 nan 8.290 nan 0.000 0.533 239 L N 1.188 122.452 121.223 0.070 0.000 2.559 239 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 239 L C 0.836 177.787 176.870 0.136 0.000 1.205 239 L CA 0.156 55.073 54.840 0.128 0.000 0.907 239 L CB 0.352 42.517 42.059 0.177 0.000 1.153 239 L HN 0.211 nan 8.230 nan 0.000 0.490 240 L N 6.777 128.068 121.223 0.113 0.000 2.349 240 L HA 0.326 4.665 4.340 -0.000 0.000 0.275 240 L C -0.682 176.269 176.870 0.136 0.000 1.115 240 L CA -0.505 54.363 54.840 0.047 0.000 0.820 240 L CB 0.459 42.536 42.059 0.030 0.000 1.135 240 L HN 0.655 nan 8.230 nan 0.000 0.445 241 Y N 1.193 121.518 120.300 0.042 0.000 2.512 241 Y HA 0.647 5.197 4.550 -0.000 0.000 0.348 241 Y C -0.844 175.179 175.900 0.206 0.000 0.990 241 Y CA -1.277 56.868 58.100 0.076 0.000 1.033 241 Y CB 1.471 39.744 38.460 -0.312 0.000 1.259 241 Y HN 0.500 nan 8.280 nan 0.000 0.461 242 N N 1.750 120.802 118.700 0.587 0.000 2.503 242 N HA 0.359 5.099 4.740 -0.000 0.000 0.287 242 N C -1.927 173.899 175.510 0.526 0.000 1.096 242 N CA -0.192 53.116 53.050 0.431 0.000 0.936 242 N CB 2.319 40.936 38.487 0.217 0.000 1.570 242 N HN 0.987 nan 8.380 nan 0.000 0.504 243 S N 2.418 118.389 115.700 0.451 0.000 2.536 243 S HA 0.661 5.130 4.470 -0.000 0.000 0.298 243 S C -0.799 173.842 174.600 0.069 0.000 1.083 243 S CA -0.574 57.711 58.200 0.143 0.000 0.995 243 S CB 2.495 65.651 63.200 -0.073 0.000 1.058 243 S HN 0.574 nan 8.310 nan 0.000 0.488 244 Q N 1.222 121.019 119.800 -0.005 0.000 2.331 244 Q HA 0.555 4.895 4.340 -0.000 0.000 0.272 244 Q C -1.375 174.615 176.000 -0.017 0.000 1.062 244 Q CA -0.508 55.301 55.803 0.009 0.000 0.806 244 Q CB 2.490 31.253 28.738 0.041 0.000 1.312 244 Q HN 0.752 nan 8.270 nan 0.000 0.431 245 I N 2.036 122.604 120.570 -0.004 0.000 2.382 245 I HA 0.371 4.540 4.170 -0.000 0.000 0.286 245 I C -0.492 175.653 176.117 0.047 0.000 1.002 245 I CA -0.640 60.668 61.300 0.012 0.000 1.135 245 I CB 1.460 39.456 38.000 -0.006 0.000 1.288 245 I HN 0.310 nan 8.210 nan 0.000 0.448 246 K N 6.419 126.873 120.400 0.091 0.000 2.213 246 K HA 0.565 4.885 4.320 -0.000 0.000 0.270 246 K C -1.254 175.415 176.600 0.114 0.000 1.002 246 K CA -0.487 55.867 56.287 0.112 0.000 0.868 246 K CB 1.581 34.175 32.500 0.156 0.000 1.093 246 K HN 0.400 nan 8.250 nan 0.000 0.454 247 V N 5.081 125.038 119.914 0.072 0.000 2.370 247 V HA 0.241 4.361 4.120 -0.000 0.000 0.279 247 V C -0.485 175.643 176.094 0.056 0.000 1.029 247 V CA -0.850 61.477 62.300 0.045 0.000 0.870 247 V CB 1.445 33.274 31.823 0.009 0.000 0.984 247 V HN 0.507 nan 8.190 nan 0.000 0.451 248 V N 6.779 126.728 119.914 0.059 0.000 2.293 248 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 248 V C 0.030 176.143 176.094 0.033 0.000 1.021 248 V CA -0.523 61.825 62.300 0.079 0.000 0.815 248 V CB 1.211 33.144 31.823 0.183 0.000 1.025 248 V HN 0.666 nan 8.190 nan 0.000 0.448 249 L N 4.021 125.257 121.223 0.021 0.000 2.462 249 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 249 L C 0.536 177.415 176.870 0.015 0.000 1.166 249 L CA 0.067 54.911 54.840 0.007 0.000 0.880 249 L CB 0.233 42.289 42.059 -0.005 0.000 1.142 249 L HN 0.735 nan 8.230 nan 0.000 0.473 250 D N 5.239 125.642 120.400 0.005 0.000 2.441 250 D HA 0.137 4.777 4.640 -0.000 0.000 0.221 250 D C -0.597 175.712 176.300 0.015 0.000 1.156 250 D CA -0.252 53.754 54.000 0.011 0.000 0.896 250 D CB 0.179 40.967 40.800 -0.019 0.000 1.028 250 D HN 0.458 nan 8.370 nan 0.000 0.509 251 N N 2.696 121.411 118.700 0.025 0.000 4.111 251 N HA -0.101 4.638 4.740 -0.000 0.000 0.311 251 N C 0.724 176.243 175.510 0.014 0.000 2.201 251 N CA 0.731 53.793 53.050 0.020 0.000 2.853 251 N CB -0.472 38.024 38.487 0.015 0.000 0.348 251 N HN 0.638 nan 8.380 nan 0.000 0.660 252 G N 1.042 109.851 108.800 0.014 0.000 3.024 252 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.202 252 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.202 252 G C 0.583 175.484 174.900 0.002 0.000 1.195 252 G CA 0.528 45.633 45.100 0.009 0.000 0.924 252 G HN 0.690 nan 8.290 nan 0.000 0.500 253 E N 0.497 120.698 120.200 0.002 0.000 2.384 253 E HA 0.443 4.793 4.350 -0.000 0.000 0.266 253 E C 0.827 177.423 176.600 -0.007 0.000 1.012 253 E CA 0.372 56.771 56.400 -0.001 0.000 0.901 253 E CB 0.262 29.963 29.700 0.003 0.000 0.967 253 E HN 0.432 nan 8.360 nan 0.000 0.435 254 G N 2.419 111.212 108.800 -0.011 0.000 2.661 254 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.685 254 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.685 254 G C -0.678 174.201 174.900 -0.035 0.000 1.298 254 G CA -0.366 44.719 45.100 -0.024 0.000 0.855 254 G HN 0.627 nan 8.290 nan 0.000 0.560 255 T N 0.158 114.679 114.554 -0.055 0.000 2.876 255 T HA 0.613 4.963 4.350 -0.000 0.000 0.289 255 T C -0.796 173.850 174.700 -0.089 0.000 1.014 255 T CA -0.491 61.574 62.100 -0.059 0.000 0.986 255 T CB 1.768 70.607 68.868 -0.048 0.000 1.021 255 T HN 0.732 nan 8.240 nan 0.000 0.458 256 L N 3.831 125.008 121.223 -0.076 0.000 2.298 256 L HA 0.667 5.006 4.340 -0.000 0.000 0.284 256 L C 0.133 176.958 176.870 -0.075 0.000 1.013 256 L CA 0.026 54.811 54.840 -0.091 0.000 0.824 256 L CB 0.803 42.821 42.059 -0.068 0.000 1.221 256 L HN 0.886 nan 8.230 nan 0.000 0.418 257 S N 2.165 117.812 115.700 -0.089 0.000 2.740 257 S HA 0.653 5.123 4.470 -0.000 0.000 0.300 257 S C -0.573 173.986 174.600 -0.068 0.000 1.147 257 S CA -0.886 57.273 58.200 -0.068 0.000 0.871 257 S CB 1.771 64.934 63.200 -0.063 0.000 1.173 257 S HN 0.526 nan 8.310 nan 0.000 0.510 258 E N -0.033 120.136 120.200 -0.052 0.000 2.197 258 E HA 0.491 4.841 4.350 -0.000 0.000 0.281 258 E C 0.358 176.929 176.600 -0.048 0.000 0.995 258 E CA -0.719 55.653 56.400 -0.045 0.000 0.808 258 E CB 0.971 30.652 29.700 -0.032 0.000 1.093 258 E HN 0.847 nan 8.360 nan 0.000 0.394 259 G N 1.498 110.269 108.800 -0.049 0.000 2.544 259 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.242 259 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.242 259 G C 0.914 175.791 174.900 -0.038 0.000 1.247 259 G CA 0.082 45.153 45.100 -0.048 0.000 0.840 259 G HN 0.600 nan 8.290 nan 0.000 0.578 260 S N 0.026 115.703 115.700 -0.038 0.000 2.547 260 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 260 S C 1.381 175.963 174.600 -0.031 0.000 0.980 260 S CA 1.305 59.486 58.200 -0.032 0.000 0.941 260 S CB -0.006 63.175 63.200 -0.032 0.000 0.763 260 S HN 0.729 nan 8.310 nan 0.000 0.532 261 D N 0.001 120.381 120.400 -0.033 0.000 2.366 261 D HA 0.348 4.987 4.640 -0.000 0.000 0.205 261 D C 1.277 177.562 176.300 -0.026 0.000 1.022 261 D CA 0.839 54.820 54.000 -0.032 0.000 0.868 261 D CB -0.104 40.673 40.800 -0.039 0.000 0.953 261 D HN 0.501 nan 8.370 nan 0.000 0.514 262 G N 0.102 108.889 108.800 -0.022 0.000 2.191 262 G HA2 0.331 4.291 3.960 -0.000 0.000 0.090 262 G HA3 0.331 4.291 3.960 -0.000 0.000 0.090 262 G C 0.574 175.467 174.900 -0.012 0.000 1.980 262 G CA 0.997 46.087 45.100 -0.016 0.000 1.116 262 G HN 1.123 nan 8.290 nan 0.000 0.313 263 A N -2.023 120.793 122.820 -0.007 0.000 3.425 263 A HA 0.489 4.809 4.320 -0.000 0.000 0.195 263 A C 0.612 178.196 177.584 0.000 0.000 1.923 263 A CA 1.710 53.746 52.037 -0.002 0.000 1.925 263 A CB -1.398 17.596 19.000 -0.010 0.000 0.356 263 A HN 2.464 nan 8.150 nan 0.000 0.565 264 S N -0.954 114.740 115.700 -0.009 0.000 2.588 264 S HA 0.774 5.244 4.470 -0.000 0.000 0.269 264 S C -1.437 173.146 174.600 -0.028 0.000 1.157 264 S CA -0.559 57.634 58.200 -0.011 0.000 0.824 264 S CB 1.625 64.815 63.200 -0.016 0.000 1.126 264 S HN 1.519 nan 8.310 nan 0.000 0.464 265 L N 1.348 122.548 121.223 -0.038 0.000 2.341 265 L HA 0.630 4.970 4.340 -0.000 0.000 0.278 265 L C -0.745 176.047 176.870 -0.130 0.000 1.005 265 L CA -0.400 54.397 54.840 -0.071 0.000 0.818 265 L CB 1.445 43.468 42.059 -0.059 0.000 1.259 265 L HN 0.822 nan 8.230 nan 0.000 0.418 266 K N 3.916 124.223 120.400 -0.154 0.000 2.206 266 K HA 0.601 4.921 4.320 -0.000 0.000 0.264 266 K C -1.275 175.145 176.600 -0.301 0.000 0.967 266 K CA -0.775 55.378 56.287 -0.224 0.000 0.844 266 K CB 2.314 34.721 32.500 -0.154 0.000 1.099 266 K HN 0.322 nan 8.250 nan 0.000 0.441 267 V N 2.456 122.065 119.914 -0.508 0.000 2.370 267 V HA 0.255 4.375 4.120 -0.000 0.000 0.283 267 V C -0.434 175.434 176.094 -0.377 0.000 1.023 267 V CA -0.477 61.498 62.300 -0.541 0.000 0.857 267 V CB 1.573 32.777 31.823 -1.032 0.000 0.985 267 V HN 0.737 nan 8.190 nan 0.000 0.443 268 S N 2.968 118.542 115.700 -0.209 0.000 2.526 268 S HA 0.445 4.915 4.470 -0.000 0.000 0.293 268 S C -0.274 174.290 174.600 -0.060 0.000 1.092 268 S CA -0.655 57.477 58.200 -0.113 0.000 0.980 268 S CB 1.384 64.535 63.200 -0.080 0.000 1.048 268 S HN 0.923 nan 8.310 nan 0.000 0.483 269 D N 0.458 120.850 120.400 -0.013 0.000 2.708 269 D HA -0.181 4.459 4.640 -0.000 0.000 0.236 269 D C 0.149 176.457 176.300 0.012 0.000 1.146 269 D CA 1.040 55.049 54.000 0.014 0.000 0.662 269 D CB -1.182 39.623 40.800 0.008 0.000 1.059 269 D HN 0.595 nan 8.370 nan 0.000 0.428 270 A N -0.245 122.586 122.820 0.018 0.000 2.248 270 A HA 0.496 4.815 4.320 -0.000 0.000 0.316 270 A C 1.227 178.838 177.584 0.045 0.000 1.101 270 A CA -0.242 51.809 52.037 0.022 0.000 0.875 270 A CB 1.780 20.790 19.000 0.017 0.000 1.207 270 A HN 0.071 nan 8.150 nan 0.000 0.504 271 K N -1.311 119.107 120.400 0.030 0.000 2.344 271 K HA 0.490 4.810 4.320 -0.000 0.000 0.200 271 K C 0.129 176.738 176.600 0.015 0.000 1.132 271 K CA 0.994 57.292 56.287 0.018 0.000 0.935 271 K CB 0.569 33.066 32.500 -0.003 0.000 1.089 271 K HN 0.867 nan 8.250 nan 0.000 0.496 272 A N 1.003 123.828 122.820 0.008 0.000 2.547 272 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 272 A C -1.232 176.340 177.584 -0.020 0.000 1.056 272 A CA -0.634 51.391 52.037 -0.021 0.000 0.688 272 A CB 1.640 20.607 19.000 -0.056 0.000 1.282 272 A HN 0.053 nan 8.150 nan 0.000 0.400 273 V N -1.339 118.548 119.914 -0.045 0.000 3.147 273 V HA 0.949 5.069 4.120 -0.000 0.000 0.306 273 V C -0.663 175.325 176.094 -0.175 0.000 1.209 273 V CA -0.551 61.719 62.300 -0.050 0.000 1.023 273 V CB 1.607 33.471 31.823 0.069 0.000 1.059 273 V HN 0.957 nan 8.190 nan 0.000 0.435 274 T N 4.310 118.741 114.554 -0.206 0.000 2.807 274 T HA 0.694 5.044 4.350 -0.000 0.000 0.279 274 T C -0.477 173.989 174.700 -0.390 0.000 0.993 274 T CA -0.363 61.498 62.100 -0.398 0.000 0.970 274 T CB 1.175 69.761 68.868 -0.470 0.000 0.950 274 T HN 0.713 nan 8.240 nan 0.000 0.441 275 L N 3.346 124.322 121.223 -0.412 0.000 2.295 275 L HA 0.532 4.872 4.340 -0.000 0.000 0.285 275 L C -1.043 175.563 176.870 -0.440 0.000 1.035 275 L CA -1.051 53.624 54.840 -0.275 0.000 0.806 275 L CB 0.749 42.746 42.059 -0.103 0.000 1.214 275 L HN 0.625 nan 8.230 nan 0.000 0.426 276 Y N 3.607 123.909 120.300 0.003 0.000 2.328 276 Y HA 0.550 5.100 4.550 -0.000 0.000 0.337 276 Y C -0.023 175.880 175.900 0.004 0.000 0.966 276 Y CA -0.482 57.621 58.100 0.005 0.000 1.136 276 Y CB 1.496 39.971 38.460 0.025 0.000 1.170 276 Y HN 0.367 nan 8.280 nan 0.000 0.470 277 I N 3.318 123.970 120.570 0.137 0.000 2.436 277 I HA 0.787 4.957 4.170 -0.000 0.000 0.289 277 I C -0.373 175.796 176.117 0.085 0.000 1.010 277 I CA -0.614 60.720 61.300 0.057 0.000 1.098 277 I CB 1.624 39.630 38.000 0.010 0.000 1.266 277 I HN 0.686 nan 8.210 nan 0.000 0.434 278 A N 4.753 127.596 122.820 0.038 0.000 2.515 278 A HA 1.022 5.342 4.320 -0.000 0.000 0.296 278 A C -1.285 176.308 177.584 0.015 0.000 1.094 278 A CA -0.571 51.507 52.037 0.067 0.000 0.718 278 A CB 1.969 21.018 19.000 0.082 0.000 1.307 278 A HN 0.873 nan 8.150 nan 0.000 0.408 279 A N -0.474 122.378 122.820 0.054 0.000 2.604 279 A HA 1.002 5.322 4.320 -0.000 0.000 0.295 279 A C -0.556 177.104 177.584 0.127 0.000 1.067 279 A CA 0.116 52.154 52.037 0.002 0.000 0.683 279 A CB 1.094 19.893 19.000 -0.336 0.000 1.281 279 A HN 2.703 nan 8.150 nan 0.000 0.407 280 A N 0.047 123.037 122.820 0.284 0.000 2.599 280 A HA 0.991 5.311 4.320 -0.000 0.000 0.290 280 A C -0.233 177.629 177.584 0.464 0.000 1.101 280 A CA 0.165 52.395 52.037 0.323 0.000 0.674 280 A CB 0.995 20.128 19.000 0.223 0.000 1.277 280 A HN 2.403 nan 8.150 nan 0.000 0.419 281 T N -2.257 112.529 114.554 0.386 0.000 2.831 281 T HA 0.588 4.938 4.350 -0.000 0.000 0.287 281 T C -0.385 174.480 174.700 0.274 0.000 1.070 281 T CA 0.288 62.599 62.100 0.351 0.000 1.010 281 T CB 1.607 70.695 68.868 0.366 0.000 1.264 281 T HN 0.774 nan 8.240 nan 0.000 0.532 282 D N -0.406 120.135 120.400 0.234 0.000 2.370 282 D HA 0.031 4.671 4.640 -0.000 0.000 0.230 282 D C 0.196 176.621 176.300 0.208 0.000 1.143 282 D CA -0.528 53.581 54.000 0.182 0.000 0.834 282 D CB -0.881 39.991 40.800 0.120 0.000 0.944 282 D HN 0.587 nan 8.370 nan 0.000 0.504 283 Y N 1.905 122.314 120.300 0.182 0.000 2.702 283 Y HA 0.141 4.690 4.550 -0.000 0.000 0.336 283 Y C 0.103 176.098 175.900 0.158 0.000 1.235 283 Y CA 0.309 58.532 58.100 0.204 0.000 1.492 283 Y CB 0.564 39.151 38.460 0.213 0.000 1.308 283 Y HN -0.155 nan 8.280 nan 0.000 0.589 284 K N 5.118 125.096 120.400 -0.704 0.000 2.464 284 K HA 0.175 4.494 4.320 -0.000 0.000 0.253 284 K C -1.315 174.734 176.600 -0.919 0.000 0.933 284 K CA -0.891 55.042 56.287 -0.589 0.000 0.801 284 K CB 1.664 34.017 32.500 -0.246 0.000 1.271 284 K HN 0.780 nan 8.250 nan 0.000 0.430 285 Q N 4.032 123.570 119.800 -0.437 0.000 2.664 285 Q HA 0.055 4.395 4.340 -0.000 0.000 0.223 285 Q C -1.269 174.590 176.000 -0.234 0.000 1.298 285 Q CA 0.324 56.056 55.803 -0.118 0.000 0.965 285 Q CB 0.179 29.011 28.738 0.155 0.000 1.510 285 Q HN 0.366 nan 8.270 nan 0.000 0.567 286 K N 3.675 123.752 120.400 -0.539 0.000 2.731 286 K HA 0.089 4.408 4.320 -0.000 0.000 0.257 286 K C -1.873 174.220 176.600 -0.846 0.000 1.032 286 K CA -0.665 55.317 56.287 -0.509 0.000 0.983 286 K CB 0.754 33.059 32.500 -0.324 0.000 1.248 286 K HN 0.410 nan 8.250 nan 0.000 0.484 287 Y N 5.788 125.631 120.300 -0.761 0.000 2.511 287 Y HA 0.158 4.708 4.550 -0.000 0.000 0.332 287 Y C -1.649 174.083 175.900 -0.279 0.000 1.177 287 Y CA -0.773 56.997 58.100 -0.550 0.000 1.422 287 Y CB 1.075 39.411 38.460 -0.206 0.000 1.271 287 Y HN 0.531 nan 8.280 nan 0.000 0.550 288 P HA 0.037 nan 4.420 nan 0.000 0.272 288 P C 0.795 177.940 177.300 -0.259 0.000 1.276 288 P CA 0.809 63.343 63.100 -0.942 0.000 0.871 288 P CB 0.436 31.489 31.700 -1.078 0.000 1.313 289 S N -0.792 114.761 115.700 -0.244 0.000 2.446 289 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 289 S C 0.788 175.433 174.600 0.076 0.000 1.016 289 S CA -0.034 58.127 58.200 -0.064 0.000 0.943 289 S CB -1.318 61.827 63.200 -0.092 0.000 0.786 289 S HN 0.048 nan 8.310 nan 0.000 0.508 290 Y N 1.558 121.812 120.300 -0.076 0.000 3.491 290 Y HA -0.174 4.375 4.550 -0.000 0.000 0.215 290 Y C 0.426 176.234 175.900 -0.152 0.000 1.219 290 Y CA 0.555 58.587 58.100 -0.113 0.000 1.485 290 Y CB -1.731 36.819 38.460 0.150 0.000 1.450 290 Y HN 0.312 nan 8.280 nan 0.000 0.603 291 R N -0.967 119.496 120.500 -0.062 0.000 2.771 291 R HA 0.428 4.768 4.340 -0.000 0.000 0.274 291 R C 1.157 177.425 176.300 -0.053 0.000 0.987 291 R CA 0.064 56.148 56.100 -0.026 0.000 0.908 291 R CB 1.244 31.553 30.300 0.016 0.000 1.213 291 R HN 0.137 nan 8.270 nan 0.000 0.468 292 T N -2.384 112.162 114.554 -0.013 0.000 2.951 292 T HA 0.041 4.391 4.350 -0.000 0.000 0.268 292 T C 1.282 175.979 174.700 -0.006 0.000 1.073 292 T CA 1.186 63.281 62.100 -0.008 0.000 1.134 292 T CB 0.053 68.937 68.868 0.026 0.000 0.884 292 T HN 0.895 nan 8.240 nan 0.000 0.479 293 G N 1.009 109.810 108.800 0.003 0.000 2.175 293 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.244 293 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.244 293 G C -0.189 174.718 174.900 0.011 0.000 0.982 293 G CA 0.039 45.140 45.100 0.001 0.000 0.641 293 G HN 0.670 nan 8.290 nan 0.000 0.527 294 E N 1.565 121.778 120.200 0.023 0.000 2.398 294 E HA 0.423 4.773 4.350 -0.000 0.000 0.263 294 E C 1.243 177.858 176.600 0.025 0.000 1.046 294 E CA 0.565 56.982 56.400 0.028 0.000 0.908 294 E CB 0.532 30.258 29.700 0.043 0.000 0.963 294 E HN 0.460 nan 8.360 nan 0.000 0.431 295 T N -1.009 113.556 114.554 0.020 0.000 2.849 295 T HA 0.354 4.704 4.350 -0.000 0.000 0.284 295 T C 1.202 175.912 174.700 0.017 0.000 1.004 295 T CA -0.316 61.793 62.100 0.014 0.000 1.021 295 T CB 1.460 70.333 68.868 0.009 0.000 1.013 295 T HN 0.482 nan 8.240 nan 0.000 0.527 296 A N 1.428 124.251 122.820 0.004 0.000 1.892 296 A HA 0.036 4.355 4.320 -0.000 0.000 0.218 296 A C 2.689 180.278 177.584 0.008 0.000 1.188 296 A CA 2.315 54.350 52.037 -0.004 0.000 0.631 296 A CB -1.662 17.321 19.000 -0.029 0.000 0.822 296 A HN 1.333 nan 8.150 nan 0.000 0.447 297 A N -0.547 122.277 122.820 0.008 0.000 1.908 297 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 297 A C 1.938 179.536 177.584 0.023 0.000 1.181 297 A CA 1.813 53.858 52.037 0.013 0.000 0.627 297 A CB -0.552 18.453 19.000 0.009 0.000 0.818 297 A HN 0.672 nan 8.150 nan 0.000 0.445 298 E N -0.517 119.698 120.200 0.026 0.000 2.106 298 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 298 E C 1.970 178.598 176.600 0.046 0.000 0.984 298 E CA 1.155 57.574 56.400 0.032 0.000 0.806 298 E CB -0.192 29.525 29.700 0.029 0.000 0.750 298 E HN 0.429 nan 8.360 nan 0.000 0.458 299 V N 1.633 121.579 119.914 0.054 0.000 2.358 299 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 299 V C 2.111 178.252 176.094 0.078 0.000 1.047 299 V CA 1.947 64.294 62.300 0.078 0.000 1.035 299 V CB -0.644 31.236 31.823 0.095 0.000 0.658 299 V HN 0.279 nan 8.190 nan 0.000 0.452 300 N N 0.197 118.933 118.700 0.060 0.000 2.166 300 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 300 N C 1.762 177.303 175.510 0.052 0.000 1.019 300 N CA 2.110 55.194 53.050 0.056 0.000 0.856 300 N CB -0.229 38.280 38.487 0.037 0.000 0.993 300 N HN 0.450 nan 8.380 nan 0.000 0.426 301 T N -0.290 114.290 114.554 0.044 0.000 2.737 301 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 301 T C 1.831 176.557 174.700 0.045 0.000 1.038 301 T CA 0.892 63.015 62.100 0.039 0.000 1.144 301 T CB -0.222 68.665 68.868 0.031 0.000 0.866 301 T HN 0.248 nan 8.240 nan 0.000 0.434 302 R N 0.522 121.054 120.500 0.053 0.000 2.083 302 R HA -0.105 4.234 4.340 -0.000 0.000 0.237 302 R C 2.313 178.653 176.300 0.067 0.000 1.137 302 R CA 1.394 57.530 56.100 0.060 0.000 0.951 302 R CB -0.540 29.802 30.300 0.071 0.000 0.851 302 R HN 0.225 nan 8.270 nan 0.000 0.434 303 V N 0.751 120.712 119.914 0.078 0.000 2.358 303 V HA -0.192 3.927 4.120 -0.000 0.000 0.246 303 V C 2.435 178.567 176.094 0.063 0.000 1.047 303 V CA 1.786 64.136 62.300 0.082 0.000 1.035 303 V CB -0.715 31.170 31.823 0.103 0.000 0.658 303 V HN 0.541 nan 8.190 nan 0.000 0.452 304 A N -0.136 122.716 122.820 0.054 0.000 1.940 304 A HA -0.301 4.018 4.320 -0.000 0.000 0.219 304 A C 2.355 179.958 177.584 0.032 0.000 1.176 304 A CA 2.339 54.401 52.037 0.042 0.000 0.631 304 A CB -0.497 18.525 19.000 0.036 0.000 0.814 304 A HN 0.536 nan 8.150 nan 0.000 0.446 305 K N -0.268 120.151 120.400 0.033 0.000 2.097 305 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 305 K C 1.821 178.432 176.600 0.019 0.000 1.050 305 K CA 1.359 57.661 56.287 0.024 0.000 0.938 305 K CB -0.261 32.256 32.500 0.028 0.000 0.718 305 K HN 0.257 nan 8.250 nan 0.000 0.442 306 V N 1.495 121.428 119.914 0.033 0.000 2.231 306 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 306 V C 2.434 178.531 176.094 0.006 0.000 1.054 306 V CA 2.110 64.431 62.300 0.034 0.000 1.015 306 V CB -0.733 31.128 31.823 0.062 0.000 0.638 306 V HN 0.402 nan 8.190 nan 0.000 0.444 307 V N -1.707 118.219 119.914 0.020 0.000 2.427 307 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 307 V C 2.348 178.394 176.094 -0.080 0.000 1.051 307 V CA 2.241 64.546 62.300 0.008 0.000 1.048 307 V CB -0.901 30.970 31.823 0.079 0.000 0.666 307 V HN 0.493 nan 8.190 nan 0.000 0.456 308 Q N 0.982 120.757 119.800 -0.042 0.000 2.046 308 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 308 Q C 1.921 177.868 176.000 -0.088 0.000 0.975 308 Q CA 2.259 58.031 55.803 -0.051 0.000 0.836 308 Q CB -0.691 28.038 28.738 -0.014 0.000 0.896 308 Q HN 0.693 nan 8.270 nan 0.000 0.428 309 D N -0.356 120.002 120.400 -0.070 0.000 2.123 309 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 309 D C 1.577 177.800 176.300 -0.129 0.000 0.992 309 D CA 1.554 55.514 54.000 -0.066 0.000 0.833 309 D CB -0.319 40.465 40.800 -0.027 0.000 0.954 309 D HN 0.375 nan 8.370 nan 0.000 0.455 310 A N 0.938 123.623 122.820 -0.225 0.000 1.877 310 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 310 A C 2.325 179.518 177.584 -0.651 0.000 1.186 310 A CA 2.310 54.103 52.037 -0.407 0.000 0.620 310 A CB -0.807 17.881 19.000 -0.521 0.000 0.822 310 A HN 0.234 nan 8.150 nan 0.000 0.443 311 A N 0.409 122.790 122.820 -0.731 0.000 1.908 311 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 311 A C 1.876 179.387 177.584 -0.121 0.000 1.181 311 A CA 1.910 53.712 52.037 -0.392 0.000 0.627 311 A CB -0.692 18.216 19.000 -0.154 0.000 0.818 311 A HN 0.558 nan 8.150 nan 0.000 0.445 312 N N -0.014 118.626 118.700 -0.099 0.000 2.166 312 N HA -0.133 4.606 4.740 -0.000 0.000 0.186 312 N C 1.600 177.101 175.510 -0.015 0.000 1.019 312 N CA 1.513 54.542 53.050 -0.035 0.000 0.856 312 N CB -0.343 38.128 38.487 -0.027 0.000 0.993 312 N HN 0.576 nan 8.380 nan 0.000 0.426 313 K N 0.049 120.429 120.400 -0.033 0.000 2.057 313 K HA 0.020 4.340 4.320 -0.000 0.000 0.206 313 K C 0.679 177.308 176.600 0.047 0.000 1.050 313 K CA 0.890 57.181 56.287 0.006 0.000 0.935 313 K CB -0.168 32.335 32.500 0.005 0.000 0.715 313 K HN 0.315 nan 8.250 nan 0.000 0.439 314 G N -0.660 108.179 108.800 0.065 0.000 2.699 314 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.686 314 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.686 314 G C -0.063 175.019 174.900 0.303 0.000 1.301 314 G CA -0.048 45.165 45.100 0.188 0.000 0.816 314 G HN 0.231 nan 8.290 nan 0.000 0.595 315 Y N 0.695 121.158 120.300 0.272 0.000 2.128 315 Y HA -0.130 4.420 4.550 -0.000 0.000 0.284 315 Y C 3.139 179.164 175.900 0.208 0.000 1.154 315 Y CA 3.321 61.585 58.100 0.273 0.000 1.149 315 Y CB -0.566 38.002 38.460 0.179 0.000 0.976 315 Y HN 0.709 nan 8.280 nan 0.000 0.505 316 T N 0.756 115.299 114.554 -0.018 0.000 2.684 316 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 316 T C 2.088 176.731 174.700 -0.093 0.000 1.036 316 T CA 1.831 63.848 62.100 -0.139 0.000 1.148 316 T CB -0.841 68.026 68.868 -0.002 0.000 0.863 316 T HN 0.506 nan 8.240 nan 0.000 0.436 317 A N 0.548 123.370 122.820 0.002 0.000 1.929 317 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 317 A C 2.564 180.174 177.584 0.042 0.000 1.176 317 A CA 0.964 53.014 52.037 0.021 0.000 0.628 317 A CB -0.719 18.306 19.000 0.041 0.000 0.816 317 A HN 0.359 nan 8.150 nan 0.000 0.444 318 V N 0.249 120.220 119.914 0.095 0.000 2.323 318 V HA -0.221 3.899 4.120 -0.000 0.000 0.244 318 V C 2.512 178.715 176.094 0.183 0.000 1.041 318 V CA 2.253 64.669 62.300 0.194 0.000 1.025 318 V CB -0.593 31.430 31.823 0.334 0.000 0.656 318 V HN 0.697 nan 8.190 nan 0.000 0.451 319 K N 0.598 121.019 120.400 0.035 0.000 2.032 319 K HA -0.265 4.055 4.320 -0.000 0.000 0.209 319 K C 2.308 178.789 176.600 -0.198 0.000 1.048 319 K CA 2.014 58.160 56.287 -0.235 0.000 0.927 319 K CB -0.229 31.969 32.500 -0.504 0.000 0.712 319 K HN 0.345 nan 8.250 nan 0.000 0.441 320 K N 0.098 120.419 120.400 -0.131 0.000 2.044 320 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 320 K C 2.002 178.579 176.600 -0.039 0.000 1.049 320 K CA 1.542 57.781 56.287 -0.081 0.000 0.927 320 K CB -0.270 32.200 32.500 -0.049 0.000 0.713 320 K HN 0.272 nan 8.250 nan 0.000 0.443 321 A N 0.497 123.324 122.820 0.012 0.000 1.933 321 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 321 A C 1.955 179.580 177.584 0.069 0.000 1.175 321 A CA 1.978 54.044 52.037 0.049 0.000 0.628 321 A CB -0.911 18.140 19.000 0.084 0.000 0.814 321 A HN 0.651 nan 8.150 nan 0.000 0.444 322 H N 0.053 119.114 119.070 -0.016 0.000 2.290 322 H HA -0.066 4.490 4.556 -0.000 0.000 0.298 322 H C 1.685 176.992 175.328 -0.034 0.000 1.087 322 H CA 2.186 58.220 56.048 -0.024 0.000 1.291 322 H CB -0.346 29.301 29.762 -0.191 0.000 1.369 322 H HN 0.404 nan 8.280 nan 0.000 0.492 323 I N 0.296 120.646 120.570 -0.367 0.000 2.252 323 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 323 I C 1.907 177.942 176.117 -0.136 0.000 1.102 323 I CA 1.353 62.456 61.300 -0.329 0.000 1.385 323 I CB -0.253 37.624 38.000 -0.204 0.000 1.064 323 I HN 0.315 nan 8.210 nan 0.000 0.414 324 D N 0.716 121.070 120.400 -0.077 0.000 2.116 324 D HA -0.256 4.384 4.640 -0.000 0.000 0.193 324 D C 1.727 178.025 176.300 -0.003 0.000 0.998 324 D CA 1.744 55.732 54.000 -0.020 0.000 0.836 324 D CB -0.447 40.351 40.800 -0.004 0.000 0.951 324 D HN 0.372 nan 8.370 nan 0.000 0.449 325 D N -0.700 119.698 120.400 -0.003 0.000 2.084 325 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 325 D C 2.010 178.329 176.300 0.031 0.000 0.990 325 D CA 1.221 55.239 54.000 0.031 0.000 0.826 325 D CB -0.062 40.783 40.800 0.075 0.000 0.971 325 D HN 0.236 nan 8.370 nan 0.000 0.453 326 H N -0.079 118.921 119.070 -0.117 0.000 2.293 326 H HA -0.111 4.444 4.556 -0.000 0.000 0.300 326 H C 2.133 177.484 175.328 0.038 0.000 1.082 326 H CA 2.155 58.161 56.048 -0.070 0.000 1.308 326 H CB -0.349 29.265 29.762 -0.247 0.000 1.375 326 H HN 0.288 nan 8.280 nan 0.000 0.495 327 S N 0.648 116.392 115.700 0.073 0.000 2.399 327 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 327 S C 2.455 177.094 174.600 0.066 0.000 1.022 327 S CA 1.064 59.331 58.200 0.111 0.000 0.983 327 S CB -0.616 62.654 63.200 0.116 0.000 0.803 327 S HN 0.555 nan 8.310 nan 0.000 0.480 328 A N 1.664 124.503 122.820 0.032 0.000 1.948 328 A HA 0.023 4.343 4.320 -0.000 0.000 0.220 328 A C 2.173 179.771 177.584 0.022 0.000 1.177 328 A CA 1.707 53.762 52.037 0.030 0.000 0.636 328 A CB -0.682 18.335 19.000 0.027 0.000 0.815 328 A HN 0.660 nan 8.150 nan 0.000 0.449 329 I N -3.410 117.159 120.570 -0.002 0.000 2.556 329 I HA -0.048 4.121 4.170 -0.000 0.000 0.251 329 I C 2.324 178.437 176.117 -0.006 0.000 1.105 329 I CA 0.775 62.070 61.300 -0.007 0.000 1.436 329 I CB -0.405 37.582 38.000 -0.021 0.000 1.139 329 I HN 0.386 nan 8.210 nan 0.000 0.438 330 Y N 2.142 122.349 120.300 -0.155 0.000 2.165 330 Y HA -0.303 4.247 4.550 -0.000 0.000 0.286 330 Y C 1.853 177.768 175.900 0.025 0.000 1.155 330 Y CA 1.821 59.869 58.100 -0.085 0.000 1.164 330 Y CB -0.165 38.204 38.460 -0.152 0.000 0.978 330 Y HN 0.177 nan 8.280 nan 0.000 0.513 331 D N -0.553 119.897 120.400 0.083 0.000 2.349 331 D HA -0.008 4.631 4.640 -0.000 0.000 0.224 331 D C 1.898 178.201 176.300 0.006 0.000 1.029 331 D CA 0.405 54.438 54.000 0.055 0.000 0.879 331 D CB -0.115 40.759 40.800 0.124 0.000 0.906 331 D HN 0.447 nan 8.370 nan 0.000 0.528 332 R N -0.146 120.347 120.500 -0.011 0.000 2.120 332 R HA 0.000 4.340 4.340 -0.000 0.000 0.234 332 R C 0.567 176.876 176.300 0.014 0.000 1.123 332 R CA 0.600 56.707 56.100 0.010 0.000 0.975 332 R CB 0.270 30.581 30.300 0.018 0.000 0.866 332 R HN -0.019 nan 8.270 nan 0.000 0.446 333 V N 1.795 121.699 119.914 -0.016 0.000 2.459 333 V HA 0.264 4.384 4.120 -0.000 0.000 0.295 333 V C -0.310 175.786 176.094 0.004 0.000 1.029 333 V CA -0.770 61.544 62.300 0.025 0.000 0.874 333 V CB 1.849 33.722 31.823 0.084 0.000 0.985 333 V HN 0.033 nan 8.190 nan 0.000 0.438 334 K N 4.832 125.247 120.400 0.026 0.000 2.397 334 K HA 0.630 4.949 4.320 -0.000 0.000 0.253 334 K C -1.177 175.422 176.600 -0.002 0.000 0.932 334 K CA -0.439 55.856 56.287 0.013 0.000 0.795 334 K CB 3.061 35.567 32.500 0.009 0.000 1.159 334 K HN 0.667 nan 8.250 nan 0.000 0.424 335 I N 1.478 122.031 120.570 -0.028 0.000 2.499 335 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 335 I C -1.468 174.580 176.117 -0.115 0.000 1.048 335 I CA -0.492 60.751 61.300 -0.095 0.000 1.062 335 I CB 1.674 39.552 38.000 -0.203 0.000 1.238 335 I HN 0.444 nan 8.210 nan 0.000 0.426 336 D N 7.432 127.735 120.400 -0.161 0.000 2.469 336 D HA 0.355 4.995 4.640 -0.000 0.000 0.251 336 D C -0.258 175.878 176.300 -0.273 0.000 1.173 336 D CA -0.221 53.667 54.000 -0.186 0.000 0.882 336 D CB 1.335 42.032 40.800 -0.171 0.000 1.129 336 D HN 0.520 nan 8.370 nan 0.000 0.549 337 L N 2.641 123.700 121.223 -0.273 0.000 2.857 337 L HA 0.406 4.745 4.340 -0.000 0.000 0.249 337 L C 1.293 178.036 176.870 -0.213 0.000 1.172 337 L CA 0.007 54.652 54.840 -0.326 0.000 0.980 337 L CB 0.489 42.219 42.059 -0.547 0.000 1.299 337 L HN 0.696 nan 8.230 nan 0.000 0.535 338 G N 0.667 109.368 108.800 -0.165 0.000 2.130 338 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.216 338 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.216 338 G C 0.187 175.046 174.900 -0.069 0.000 0.999 338 G CA -0.141 44.895 45.100 -0.107 0.000 0.686 338 G HN 0.416 nan 8.290 nan 0.000 0.515 339 Q N 1.014 120.772 119.800 -0.070 0.000 2.392 339 Q HA 0.507 4.846 4.340 -0.000 0.000 0.262 339 Q C 0.739 176.724 176.000 -0.024 0.000 1.003 339 Q CA 0.414 56.199 55.803 -0.030 0.000 0.888 339 Q CB 0.937 29.662 28.738 -0.021 0.000 1.260 339 Q HN 1.008 nan 8.270 nan 0.000 0.435 340 S N 0.996 116.695 115.700 -0.002 0.000 2.617 340 S HA 0.737 5.207 4.470 -0.000 0.000 0.259 340 S C 0.403 175.007 174.600 0.007 0.000 1.301 340 S CA -0.108 58.090 58.200 -0.003 0.000 0.984 340 S CB 1.060 64.272 63.200 0.020 0.000 0.954 340 S HN 0.976 nan 8.310 nan 0.000 0.572 341 G N -0.994 107.798 108.800 -0.013 0.000 2.721 341 G HA2 0.422 4.382 3.960 -0.000 0.000 0.296 341 G HA3 0.422 4.382 3.960 -0.000 0.000 0.296 341 G C 0.335 175.217 174.900 -0.030 0.000 1.383 341 G CA -0.253 44.845 45.100 -0.003 0.000 0.788 341 G HN 0.919 nan 8.290 nan 0.000 0.500 342 H N -0.952 118.047 119.070 -0.118 0.000 2.518 342 H HA 0.027 4.583 4.556 -0.000 0.000 0.289 342 H C 1.293 176.327 175.328 -0.491 0.000 1.051 342 H CA 1.655 57.487 56.048 -0.360 0.000 1.280 342 H CB 0.087 29.353 29.762 -0.826 0.000 1.380 342 H HN 0.191 nan 8.280 nan 0.000 0.566 343 S N 0.297 115.441 115.700 -0.927 0.000 2.575 343 S HA 0.085 4.555 4.470 -0.000 0.000 0.215 343 S C 0.595 174.991 174.600 -0.341 0.000 0.966 343 S CA -0.313 57.480 58.200 -0.680 0.000 0.911 343 S CB 0.232 62.997 63.200 -0.725 0.000 0.780 343 S HN 0.299 nan 8.310 nan 0.000 0.514 344 S N 2.867 118.426 115.700 -0.235 0.000 2.568 344 S HA 0.085 4.555 4.470 -0.000 0.000 0.282 344 S C -0.064 174.482 174.600 -0.089 0.000 1.338 344 S CA -0.345 57.780 58.200 -0.126 0.000 1.045 344 S CB 0.237 63.399 63.200 -0.064 0.000 0.873 344 S HN 0.308 nan 8.310 nan 0.000 0.516 345 D N 1.281 121.641 120.400 -0.068 0.000 2.455 345 D HA 0.302 4.942 4.640 -0.000 0.000 0.241 345 D C 1.206 177.500 176.300 -0.009 0.000 1.138 345 D CA 1.138 55.114 54.000 -0.039 0.000 0.877 345 D CB 0.323 41.102 40.800 -0.035 0.000 1.187 345 D HN 0.851 nan 8.370 nan 0.000 0.451 346 G N 1.336 110.144 108.800 0.013 0.000 2.221 346 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.265 346 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.265 346 G C 0.519 175.463 174.900 0.074 0.000 1.041 346 G CA 0.223 45.346 45.100 0.040 0.000 0.807 346 G HN 0.827 nan 8.290 nan 0.000 0.502 347 A N -1.124 121.758 122.820 0.104 0.000 2.483 347 A HA 0.602 4.922 4.320 -0.000 0.000 0.238 347 A C 0.677 178.461 177.584 0.333 0.000 1.070 347 A CA 0.669 52.835 52.037 0.215 0.000 0.770 347 A CB 1.251 20.375 19.000 0.207 0.000 1.008 347 A HN 1.716 nan 8.150 nan 0.000 0.497 348 V N 2.292 122.371 119.914 0.275 0.000 2.495 348 V HA 0.662 4.781 4.120 -0.000 0.000 0.298 348 V C 0.632 176.497 176.094 -0.383 0.000 1.031 348 V CA -0.107 62.203 62.300 0.018 0.000 0.871 348 V CB 1.230 33.037 31.823 -0.026 0.000 0.988 348 V HN 1.512 nan 8.190 nan 0.000 0.432 349 A N 4.534 126.787 122.820 -0.945 0.000 2.386 349 A HA 0.383 4.703 4.320 -0.000 0.000 0.246 349 A C 1.291 178.253 177.584 -1.037 0.000 1.089 349 A CA 0.668 51.632 52.037 -1.789 0.000 0.790 349 A CB 0.207 18.422 19.000 -1.307 0.000 1.042 349 A HN 1.016 nan 8.150 nan 0.000 0.497 350 T N 0.657 114.500 114.554 -1.184 0.000 2.857 350 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 350 T C 1.452 175.885 174.700 -0.445 0.000 1.048 350 T CA 1.686 63.344 62.100 -0.738 0.000 1.139 350 T CB -0.398 68.002 68.868 -0.781 0.000 0.874 350 T HN 0.892 nan 8.240 nan 0.000 0.455 351 D N 2.369 122.524 120.400 -0.408 0.000 2.117 351 D HA -0.047 4.593 4.640 -0.000 0.000 0.197 351 D C 2.169 178.388 176.300 -0.135 0.000 0.987 351 D CA 1.301 55.235 54.000 -0.110 0.000 0.829 351 D CB -0.809 40.024 40.800 0.055 0.000 0.961 351 D HN 0.427 nan 8.370 nan 0.000 0.460 352 A N 0.244 122.940 122.820 -0.207 0.000 1.969 352 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 352 A C 2.189 179.709 177.584 -0.107 0.000 1.169 352 A CA 1.255 53.207 52.037 -0.142 0.000 0.635 352 A CB -0.777 18.125 19.000 -0.163 0.000 0.810 352 A HN 0.274 nan 8.150 nan 0.000 0.445 353 L N -0.559 120.572 121.223 -0.152 0.000 1.994 353 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 353 L C 2.244 179.109 176.870 -0.008 0.000 1.071 353 L CA 2.160 56.956 54.840 -0.074 0.000 0.745 353 L CB -0.742 41.252 42.059 -0.108 0.000 0.892 353 L HN 0.348 nan 8.230 nan 0.000 0.431 354 L N 0.020 121.214 121.223 -0.049 0.000 2.013 354 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 354 L C 2.602 179.502 176.870 0.051 0.000 1.073 354 L CA 2.315 57.147 54.840 -0.013 0.000 0.753 354 L CB -0.849 41.189 42.059 -0.034 0.000 0.890 354 L HN 0.380 nan 8.230 nan 0.000 0.432 355 K N -1.043 119.368 120.400 0.019 0.000 2.097 355 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 355 K C 2.001 178.629 176.600 0.046 0.000 1.049 355 K CA 1.284 57.589 56.287 0.029 0.000 0.933 355 K CB -0.260 32.240 32.500 0.001 0.000 0.717 355 K HN 0.499 nan 8.250 nan 0.000 0.442 356 A N -0.097 122.750 122.820 0.045 0.000 1.898 356 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 356 A C 2.022 179.655 177.584 0.081 0.000 1.181 356 A CA 1.283 53.347 52.037 0.046 0.000 0.620 356 A CB -0.863 18.157 19.000 0.033 0.000 0.819 356 A HN 0.515 nan 8.150 nan 0.000 0.442 357 Y N 0.548 120.842 120.300 -0.010 0.000 2.165 357 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 357 Y C 2.657 178.553 175.900 -0.007 0.000 1.155 357 Y CA 2.406 60.506 58.100 -0.000 0.000 1.164 357 Y CB -0.178 38.283 38.460 0.002 0.000 0.978 357 Y HN 0.441 nan 8.280 nan 0.000 0.513 358 Q N -0.590 119.335 119.800 0.209 0.000 2.119 358 Q HA -0.169 4.170 4.340 -0.000 0.000 0.201 358 Q C 2.237 178.260 176.000 0.038 0.000 0.972 358 Q CA 1.359 57.232 55.803 0.118 0.000 0.847 358 Q CB -0.154 28.640 28.738 0.094 0.000 0.903 358 Q HN 0.422 nan 8.270 nan 0.000 0.433 359 R N -0.691 119.824 120.500 0.026 0.000 2.189 359 R HA -0.018 4.322 4.340 -0.000 0.000 0.218 359 R C 0.955 177.241 176.300 -0.024 0.000 1.074 359 R CA 0.727 56.828 56.100 0.001 0.000 0.991 359 R CB 0.151 30.453 30.300 0.003 0.000 0.883 359 R HN 0.425 nan 8.270 nan 0.000 0.457 360 G N 0.371 109.141 108.800 -0.050 0.000 2.132 360 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.234 360 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.234 360 G C 0.622 175.485 174.900 -0.062 0.000 0.989 360 G CA 0.559 45.610 45.100 -0.083 0.000 0.676 360 G HN 0.460 nan 8.290 nan 0.000 0.522 361 S N -1.292 114.384 115.700 -0.040 0.000 2.539 361 S HA 0.695 5.164 4.470 -0.000 0.000 0.221 361 S C 1.266 175.857 174.600 -0.015 0.000 0.987 361 S CA 1.193 59.379 58.200 -0.023 0.000 0.929 361 S CB 0.674 63.867 63.200 -0.011 0.000 0.832 361 S HN 1.885 nan 8.310 nan 0.000 0.492 362 A N 3.063 125.872 122.820 -0.018 0.000 2.511 362 A HA 0.491 4.810 4.320 -0.000 0.000 0.242 362 A C 0.972 178.556 177.584 0.000 0.000 1.069 362 A CA 0.122 52.165 52.037 0.011 0.000 0.763 362 A CB -0.313 18.723 19.000 0.059 0.000 1.001 362 A HN 0.641 nan 8.150 nan 0.000 0.498 363 T N 0.438 115.004 114.554 0.020 0.000 2.726 363 T HA 0.225 4.574 4.350 -0.000 0.000 0.294 363 T C 1.369 176.090 174.700 0.036 0.000 1.013 363 T CA 0.454 62.565 62.100 0.019 0.000 0.996 363 T CB 0.136 69.016 68.868 0.019 0.000 1.016 363 T HN 0.535 nan 8.240 nan 0.000 0.529 364 T N 1.111 115.685 114.554 0.034 0.000 2.684 364 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 364 T C 2.418 177.156 174.700 0.064 0.000 1.036 364 T CA 1.550 63.682 62.100 0.053 0.000 1.148 364 T CB -1.000 67.892 68.868 0.040 0.000 0.863 364 T HN 0.780 nan 8.240 nan 0.000 0.436 365 A N 1.240 124.084 122.820 0.040 0.000 1.908 365 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 365 A C 2.277 179.895 177.584 0.056 0.000 1.181 365 A CA 1.764 53.820 52.037 0.032 0.000 0.627 365 A CB -0.680 18.327 19.000 0.012 0.000 0.818 365 A HN 0.575 nan 8.150 nan 0.000 0.445 366 Q N -0.607 119.234 119.800 0.070 0.000 2.079 366 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 366 Q C 2.122 178.222 176.000 0.167 0.000 0.974 366 Q CA 1.445 57.304 55.803 0.094 0.000 0.840 366 Q CB -0.160 28.626 28.738 0.080 0.000 0.898 366 Q HN 0.623 nan 8.270 nan 0.000 0.430 367 K N 0.237 120.757 120.400 0.200 0.000 2.032 367 K HA -0.135 4.184 4.320 -0.000 0.000 0.209 367 K C 2.064 178.868 176.600 0.340 0.000 1.048 367 K CA 0.990 57.493 56.287 0.360 0.000 0.927 367 K CB 0.023 32.671 32.500 0.247 0.000 0.712 367 K HN 0.053 nan 8.250 nan 0.000 0.441 368 R N 0.904 121.524 120.500 0.200 0.000 2.115 368 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 368 R C 2.045 178.386 176.300 0.069 0.000 1.111 368 R CA 1.074 57.240 56.100 0.109 0.000 0.976 368 R CB -0.405 29.895 30.300 -0.000 0.000 0.870 368 R HN 0.482 nan 8.270 nan 0.000 0.445 369 E N 0.627 120.874 120.200 0.078 0.000 2.047 369 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 369 E C 1.853 178.488 176.600 0.058 0.000 0.987 369 E CA 0.829 57.266 56.400 0.061 0.000 0.799 369 E CB -0.034 29.704 29.700 0.063 0.000 0.752 369 E HN 0.071 nan 8.360 nan 0.000 0.449 370 L N 1.564 122.824 121.223 0.062 0.000 2.046 370 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 370 L C 1.953 178.814 176.870 -0.016 0.000 1.077 370 L CA 1.935 56.756 54.840 -0.033 0.000 0.747 370 L CB -0.356 41.605 42.059 -0.164 0.000 0.896 370 L HN 0.144 nan 8.230 nan 0.000 0.432 371 E N -1.557 118.691 120.200 0.080 0.000 2.077 371 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 371 E C 2.055 178.749 176.600 0.156 0.000 0.989 371 E CA 1.736 58.233 56.400 0.162 0.000 0.800 371 E CB -0.219 29.695 29.700 0.356 0.000 0.746 371 E HN 0.439 nan 8.360 nan 0.000 0.452 372 T N 0.571 115.183 114.554 0.095 0.000 2.857 372 T HA -0.010 4.339 4.350 -0.000 0.000 0.266 372 T C 1.770 176.579 174.700 0.181 0.000 1.048 372 T CA 0.519 62.675 62.100 0.093 0.000 1.139 372 T CB -0.023 68.839 68.868 -0.010 0.000 0.874 372 T HN 0.041 nan 8.240 nan 0.000 0.455 373 L N 0.428 121.723 121.223 0.120 0.000 2.056 373 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 373 L C 2.588 179.533 176.870 0.125 0.000 1.078 373 L CA 0.872 55.775 54.840 0.105 0.000 0.749 373 L CB -0.521 41.546 42.059 0.012 0.000 0.901 373 L HN 0.139 nan 8.230 nan 0.000 0.433 374 V N -0.821 119.158 119.914 0.109 0.000 2.343 374 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 374 V C 2.222 178.449 176.094 0.221 0.000 1.051 374 V CA 1.921 64.310 62.300 0.148 0.000 1.036 374 V CB -0.676 31.195 31.823 0.079 0.000 0.654 374 V HN 0.433 nan 8.190 nan 0.000 0.451 375 Y N 1.475 121.861 120.300 0.143 0.000 2.097 375 Y HA -0.290 4.259 4.550 -0.000 0.000 0.282 375 Y C 2.511 178.525 175.900 0.190 0.000 1.152 375 Y CA 2.105 60.299 58.100 0.157 0.000 1.136 375 Y CB -0.259 38.277 38.460 0.127 0.000 0.975 375 Y HN 0.151 nan 8.280 nan 0.000 0.498 376 K N -1.167 119.368 120.400 0.225 0.000 2.147 376 K HA -0.225 4.095 4.320 -0.000 0.000 0.205 376 K C 1.954 178.745 176.600 0.319 0.000 1.049 376 K CA 1.457 57.872 56.287 0.214 0.000 0.936 376 K CB -0.525 32.191 32.500 0.359 0.000 0.722 376 K HN 0.342 nan 8.250 nan 0.000 0.446 377 Y N 1.410 121.796 120.300 0.142 0.000 2.274 377 Y HA -0.107 4.442 4.550 -0.000 0.000 0.290 377 Y C 2.242 178.249 175.900 0.178 0.000 1.145 377 Y CA 1.144 59.346 58.100 0.169 0.000 1.203 377 Y CB -0.779 37.720 38.460 0.065 0.000 0.984 377 Y HN 0.052 nan 8.280 nan 0.000 0.533 378 G N -0.259 108.618 108.800 0.127 0.000 2.422 378 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.218 378 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.218 378 G C 1.875 176.879 174.900 0.173 0.000 1.146 378 G CA 0.698 45.820 45.100 0.037 0.000 0.769 378 G HN 0.342 nan 8.290 nan 0.000 0.547 379 R N -1.061 119.497 120.500 0.096 0.000 2.057 379 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 379 R C 2.309 178.777 176.300 0.280 0.000 1.136 379 R CA 1.133 57.305 56.100 0.119 0.000 0.952 379 R CB -0.746 29.548 30.300 -0.010 0.000 0.848 379 R HN 0.439 nan 8.270 nan 0.000 0.430 380 Y N 2.084 122.578 120.300 0.324 0.000 2.069 380 Y HA -0.269 4.281 4.550 -0.000 0.000 0.278 380 Y C 1.992 178.069 175.900 0.295 0.000 1.175 380 Y CA 1.723 60.056 58.100 0.388 0.000 1.134 380 Y CB -0.367 38.352 38.460 0.431 0.000 0.965 380 Y HN -0.040 nan 8.280 nan 0.000 0.498 381 L N -0.819 120.544 121.223 0.233 0.000 2.191 381 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 381 L C 2.268 179.388 176.870 0.418 0.000 1.103 381 L CA 1.629 56.597 54.840 0.214 0.000 0.769 381 L CB -0.822 41.208 42.059 -0.047 0.000 0.908 381 L HN 0.270 nan 8.230 nan 0.000 0.438 382 T N 0.132 114.920 114.554 0.391 0.000 2.737 382 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 382 T C 1.921 176.666 174.700 0.076 0.000 1.038 382 T CA 1.280 63.469 62.100 0.148 0.000 1.144 382 T CB -0.202 68.648 68.868 -0.030 0.000 0.866 382 T HN 0.191 nan 8.240 nan 0.000 0.434 383 I N 1.446 122.061 120.570 0.075 0.000 2.208 383 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 383 I C 2.903 179.075 176.117 0.091 0.000 1.097 383 I CA 1.413 62.751 61.300 0.063 0.000 1.363 383 I CB -0.734 37.297 38.000 0.051 0.000 1.051 383 I HN 0.322 nan 8.210 nan 0.000 0.413 384 G N -0.032 108.819 108.800 0.085 0.000 2.422 384 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 384 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 384 G C 1.700 176.660 174.900 0.101 0.000 1.140 384 G CA 1.116 46.354 45.100 0.230 0.000 0.775 384 G HN 0.525 nan 8.290 nan 0.000 0.545 385 S N -2.157 113.567 115.700 0.041 0.000 2.520 385 S HA 0.344 4.814 4.470 -0.000 0.000 0.219 385 S C 0.825 175.365 174.600 -0.099 0.000 1.028 385 S CA 0.608 58.686 58.200 -0.204 0.000 0.921 385 S CB 0.541 63.594 63.200 -0.245 0.000 0.844 385 S HN 0.171 nan 8.310 nan 0.000 0.495 386 S N 1.919 117.603 115.700 -0.026 0.000 2.389 386 S HA 0.520 4.990 4.470 -0.000 0.000 0.201 386 S C -0.841 173.777 174.600 0.031 0.000 1.422 386 S CA -0.737 57.465 58.200 0.005 0.000 1.216 386 S CB 0.181 63.379 63.200 -0.004 0.000 1.130 386 S HN 0.245 nan 8.310 nan 0.000 0.465 387 R N 2.158 122.680 120.500 0.038 0.000 2.573 387 R HA 0.322 4.662 4.340 -0.000 0.000 0.272 387 R C 1.625 177.957 176.300 0.053 0.000 1.009 387 R CA -0.669 55.463 56.100 0.053 0.000 1.059 387 R CB 0.510 30.851 30.300 0.069 0.000 1.112 387 R HN 0.745 nan 8.270 nan 0.000 0.517 388 E N 1.258 121.492 120.200 0.056 0.000 2.267 388 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 388 E C 0.371 177.001 176.600 0.050 0.000 0.998 388 E CA 1.438 57.869 56.400 0.053 0.000 0.830 388 E CB -0.118 29.614 29.700 0.054 0.000 0.751 388 E HN 0.561 nan 8.360 nan 0.000 0.491 389 N N 0.587 119.320 118.700 0.056 0.000 2.214 389 N HA 0.026 4.765 4.740 -0.000 0.000 0.214 389 N C -0.426 175.119 175.510 0.059 0.000 1.132 389 N CA -0.334 52.750 53.050 0.057 0.000 0.856 389 N CB 0.214 38.738 38.487 0.063 0.000 1.020 389 N HN -0.171 nan 8.380 nan 0.000 0.509 390 S N 0.907 116.638 115.700 0.051 0.000 2.560 390 S HA 0.050 4.520 4.470 -0.000 0.000 0.284 390 S C 1.134 175.767 174.600 0.055 0.000 1.327 390 S CA -0.319 57.908 58.200 0.046 0.000 1.055 390 S CB 1.171 64.386 63.200 0.026 0.000 0.868 390 S HN 0.329 nan 8.310 nan 0.000 0.506 391 Q N 0.809 120.654 119.800 0.075 0.000 2.245 391 Q HA 0.158 4.498 4.340 -0.000 0.000 0.201 391 Q C -0.201 175.851 176.000 0.087 0.000 0.955 391 Q CA 0.771 56.642 55.803 0.113 0.000 0.870 391 Q CB 0.028 28.883 28.738 0.194 0.000 0.945 391 Q HN 0.525 nan 8.270 nan 0.000 0.461 392 L N 0.765 122.006 121.223 0.031 0.000 2.371 392 L HA 0.469 4.809 4.340 -0.000 0.000 0.262 392 L C -2.399 174.447 176.870 -0.040 0.000 1.006 392 L CA -2.499 52.322 54.840 -0.031 0.000 0.818 392 L CB 2.207 44.255 42.059 -0.017 0.000 1.354 392 L HN -0.132 nan 8.230 nan 0.000 0.415 393 P HA 0.105 nan 4.420 nan 0.000 0.275 393 P C -0.716 176.668 177.300 0.139 0.000 1.266 393 P CA -0.467 62.623 63.100 -0.016 0.000 0.793 393 P CB 0.637 32.201 31.700 -0.227 0.000 1.074 394 S N 0.358 116.144 115.700 0.142 0.000 2.560 394 S HA 0.104 4.574 4.470 -0.000 0.000 0.284 394 S C 0.460 175.098 174.600 0.063 0.000 1.327 394 S CA -0.416 57.794 58.200 0.017 0.000 1.055 394 S CB -0.708 62.444 63.200 -0.079 0.000 0.868 394 S HN 0.598 nan 8.310 nan 0.000 0.506 395 N N 2.194 120.789 118.700 -0.174 0.000 2.593 395 N HA 0.314 5.054 4.740 -0.000 0.000 0.304 395 N C 0.828 176.181 175.510 -0.262 0.000 1.296 395 N CA -0.993 51.800 53.050 -0.429 0.000 0.950 395 N CB -0.334 37.607 38.487 -0.910 0.000 1.127 395 N HN 0.478 nan 8.380 nan 0.000 0.587 396 L N -1.526 119.525 121.223 -0.286 0.000 2.263 396 L HA -0.149 4.190 4.340 -0.000 0.000 0.216 396 L C 1.192 177.870 176.870 -0.319 0.000 1.111 396 L CA 1.474 56.172 54.840 -0.236 0.000 0.773 396 L CB -0.407 41.535 42.059 -0.194 0.000 0.906 396 L HN 0.594 nan 8.230 nan 0.000 0.439 397 Q N -1.513 118.121 119.800 -0.277 0.000 2.135 397 Q HA 0.228 4.568 4.340 -0.000 0.000 0.222 397 Q C 1.154 177.218 176.000 0.107 0.000 0.808 397 Q CA 0.344 55.999 55.803 -0.247 0.000 1.049 397 Q CB 1.312 30.047 28.738 -0.005 0.000 1.168 397 Q HN 0.456 nan 8.270 nan 0.000 0.483 398 G N 2.542 111.346 108.800 0.008 0.000 2.950 398 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.299 398 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.299 398 G C 0.608 175.306 174.900 -0.337 0.000 1.310 398 G CA 0.514 45.621 45.100 0.012 0.000 0.994 398 G HN 0.528 nan 8.290 nan 0.000 0.575 399 I N -4.390 115.788 120.570 -0.653 0.000 4.541 399 I HA 0.462 4.632 4.170 -0.000 0.000 0.337 399 I C -0.132 175.799 176.117 -0.309 0.000 1.338 399 I CA -0.662 60.258 61.300 -0.633 0.000 1.244 399 I CB 0.392 37.922 38.000 -0.784 0.000 1.417 399 I HN 0.284 nan 8.210 nan 0.000 0.501 400 W N 3.604 125.073 121.300 0.282 0.000 2.349 400 W HA 0.652 5.311 4.660 -0.000 0.000 0.309 400 W C 0.055 176.908 176.519 0.558 0.000 1.083 400 W CA -0.585 57.013 57.345 0.423 0.000 1.224 400 W CB 1.575 31.337 29.460 0.504 0.000 1.256 400 W HN 0.225 nan 8.180 nan 0.000 0.461 401 S N 0.610 116.552 115.700 0.404 0.000 2.570 401 S HA 0.490 4.960 4.470 -0.000 0.000 0.270 401 S C -0.982 173.190 174.600 -0.713 0.000 1.149 401 S CA -0.702 57.421 58.200 -0.129 0.000 0.837 401 S CB 2.607 65.777 63.200 -0.050 0.000 1.124 401 S HN 0.215 nan 8.310 nan 0.000 0.465 402 V N 1.064 120.311 119.914 -1.112 0.000 3.612 402 V HA 0.292 4.411 4.120 -0.000 0.000 0.268 402 V C 0.638 176.464 176.094 -0.448 0.000 1.365 402 V CA 1.365 63.140 62.300 -0.874 0.000 1.044 402 V CB 0.133 31.259 31.823 -1.161 0.000 0.820 402 V HN 1.167 nan 8.190 nan 0.000 0.444 403 T N 0.006 114.314 114.554 -0.411 0.000 2.922 403 T HA 0.814 5.163 4.350 -0.000 0.000 0.285 403 T C -0.310 174.227 174.700 -0.271 0.000 1.005 403 T CA 0.113 62.022 62.100 -0.318 0.000 1.061 403 T CB 1.844 70.492 68.868 -0.368 0.000 1.007 403 T HN 0.749 nan 8.240 nan 0.000 0.502 404 A N 0.752 123.449 122.820 -0.205 0.000 2.547 404 A HA 0.928 5.248 4.320 -0.000 0.000 0.297 404 A C -0.203 177.311 177.584 -0.116 0.000 1.056 404 A CA -0.421 51.518 52.037 -0.162 0.000 0.688 404 A CB 1.573 20.578 19.000 0.008 0.000 1.282 404 A HN 1.579 nan 8.150 nan 0.000 0.400 405 G N -0.178 108.543 108.800 -0.132 0.000 2.623 405 G HA2 0.501 4.460 3.960 -0.000 0.000 0.290 405 G HA3 0.501 4.460 3.960 -0.000 0.000 0.290 405 G C -0.717 174.122 174.900 -0.102 0.000 1.437 405 G CA -0.320 44.727 45.100 -0.089 0.000 0.798 405 G HN 0.362 nan 8.290 nan 0.000 0.488 406 D N -0.263 120.100 120.400 -0.062 0.000 2.149 406 D HA -0.003 4.637 4.640 -0.000 0.000 0.201 406 D C 0.634 176.885 176.300 -0.082 0.000 0.972 406 D CA 1.005 54.966 54.000 -0.064 0.000 0.835 406 D CB 0.240 41.023 40.800 -0.028 0.000 0.966 406 D HN 0.272 nan 8.370 nan 0.000 0.476 407 N N 0.184 118.840 118.700 -0.073 0.000 2.430 407 N HA 0.454 5.193 4.740 -0.000 0.000 0.298 407 N C -0.281 175.173 175.510 -0.094 0.000 1.130 407 N CA -0.462 52.552 53.050 -0.061 0.000 0.894 407 N CB 1.703 40.180 38.487 -0.016 0.000 1.209 407 N HN -0.083 nan 8.380 nan 0.000 0.503 408 A N 0.549 123.304 122.820 -0.109 0.000 2.492 408 A HA 0.043 4.363 4.320 -0.000 0.000 0.236 408 A C 0.200 177.714 177.584 -0.116 0.000 1.078 408 A CA 0.228 52.144 52.037 -0.202 0.000 0.773 408 A CB -0.437 18.405 19.000 -0.263 0.000 1.023 408 A HN 0.887 nan 8.150 nan 0.000 0.504 409 H N -0.781 118.267 119.070 -0.037 0.000 2.692 409 H HA -0.193 4.363 4.556 -0.000 0.000 0.316 409 H C 0.914 176.185 175.328 -0.094 0.000 1.176 409 H CA 1.059 57.065 56.048 -0.070 0.000 1.142 409 H CB -1.749 27.995 29.762 -0.030 0.000 1.475 409 H HN 1.039 nan 8.280 nan 0.000 0.423 410 G N 0.083 108.845 108.800 -0.064 0.000 3.306 410 G HA2 0.044 4.004 3.960 -0.000 0.000 0.202 410 G HA3 0.044 4.004 3.960 -0.000 0.000 0.202 410 G C 1.151 175.973 174.900 -0.129 0.000 1.673 410 G CA -0.039 45.013 45.100 -0.079 0.000 0.776 410 G HN 0.218 nan 8.290 nan 0.000 0.740 411 N N 0.453 119.064 118.700 -0.147 0.000 2.494 411 N HA 0.086 4.826 4.740 -0.000 0.000 0.182 411 N C -0.013 175.355 175.510 -0.237 0.000 1.076 411 N CA 0.564 53.506 53.050 -0.180 0.000 0.908 411 N CB 0.272 38.659 38.487 -0.167 0.000 0.967 411 N HN 0.195 nan 8.380 nan 0.000 0.449 412 T N 2.265 116.680 114.554 -0.231 0.000 2.824 412 T HA 0.327 4.677 4.350 -0.000 0.000 0.282 412 T C -2.767 171.797 174.700 -0.226 0.000 0.993 412 T CA -1.499 60.460 62.100 -0.234 0.000 0.967 412 T CB 2.636 71.366 68.868 -0.229 0.000 0.960 412 T HN -0.107 nan 8.240 nan 0.000 0.441 413 P HA -0.014 nan 4.420 nan 0.000 0.266 413 P C 0.198 177.379 177.300 -0.198 0.000 1.215 413 P CA 0.046 62.901 63.100 -0.409 0.000 0.763 413 P CB 0.088 31.564 31.700 -0.374 0.000 0.806 414 W N 2.709 123.948 121.300 -0.102 0.000 5.538 414 W HA -0.181 4.478 4.660 -0.000 0.000 0.377 414 W C 1.174 177.612 176.519 -0.135 0.000 1.406 414 W CA 1.157 58.439 57.345 -0.105 0.000 0.940 414 W CB -2.755 26.569 29.460 -0.227 0.000 2.536 414 W HN 0.843 nan 8.180 nan 0.000 1.504 415 G N -0.358 108.396 108.800 -0.076 0.000 2.200 415 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.268 415 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.268 415 G C 0.725 175.498 174.900 -0.212 0.000 0.986 415 G CA 1.585 46.580 45.100 -0.175 0.000 0.677 415 G HN 1.586 nan 8.290 nan 0.000 0.532 416 S N -0.311 115.324 115.700 -0.108 0.000 3.491 416 S HA -0.210 4.260 4.470 -0.000 0.000 0.371 416 S C 0.852 175.303 174.600 -0.249 0.000 0.980 416 S CA 2.045 60.164 58.200 -0.135 0.000 1.204 416 S CB -1.511 61.645 63.200 -0.074 0.000 0.915 416 S HN 1.677 nan 8.310 nan 0.000 0.482 417 D N 0.150 120.490 120.400 -0.100 0.000 2.511 417 D HA 0.451 5.091 4.640 -0.000 0.000 0.283 417 D C -0.047 176.086 176.300 -0.279 0.000 1.198 417 D CA -0.647 53.344 54.000 -0.015 0.000 1.097 417 D CB -0.160 40.812 40.800 0.287 0.000 1.160 417 D HN 0.260 nan 8.370 nan 0.000 0.589 418 F N -0.242 119.824 119.950 0.194 0.000 2.303 418 F HA 0.218 4.745 4.527 -0.000 0.000 0.368 418 F C 0.449 176.294 175.800 0.075 0.000 1.105 418 F CA -0.609 57.405 58.000 0.025 0.000 1.153 418 F CB 0.414 39.327 39.000 -0.145 0.000 1.362 418 F HN 0.150 nan 8.300 nan 0.000 0.511 419 H N 4.962 124.058 119.070 0.043 0.000 2.820 419 H HA 0.219 4.774 4.556 -0.000 0.000 0.278 419 H C 0.312 175.593 175.328 -0.078 0.000 1.142 419 H CA 0.010 56.044 56.048 -0.022 0.000 1.346 419 H CB 1.115 30.785 29.762 -0.154 0.000 1.438 419 H HN 0.680 nan 8.280 nan 0.000 0.473 420 M N 3.893 123.472 119.600 -0.035 0.000 2.626 420 M HA 0.024 4.504 4.480 -0.000 0.000 0.262 420 M C 0.114 176.323 176.300 -0.152 0.000 1.256 420 M CA 0.107 55.358 55.300 -0.081 0.000 0.981 420 M CB -0.011 32.598 32.600 0.015 0.000 1.492 420 M HN 0.255 nan 8.290 nan 0.000 0.474 421 N N -0.393 118.212 118.700 -0.158 0.000 2.433 421 N HA 0.219 4.959 4.740 -0.000 0.000 0.270 421 N C -0.085 175.283 175.510 -0.237 0.000 1.354 421 N CA -0.024 52.988 53.050 -0.063 0.000 0.889 421 N CB 0.984 39.556 38.487 0.142 0.000 1.285 421 N HN 0.201 nan 8.380 nan 0.000 0.503 422 V N -1.157 118.379 119.914 -0.631 0.000 3.910 422 V HA -0.032 4.087 4.120 -0.000 0.000 0.353 422 V C 0.264 176.025 176.094 -0.555 0.000 1.930 422 V CA 0.690 62.570 62.300 -0.699 0.000 1.509 422 V CB -1.039 30.661 31.823 -0.203 0.000 0.949 422 V HN 0.234 nan 8.190 nan 0.000 0.345 423 N N 0.546 118.998 118.700 -0.412 0.000 2.197 423 N HA 0.060 4.799 4.740 -0.000 0.000 0.184 423 N C 1.381 176.726 175.510 -0.275 0.000 1.030 423 N CA 1.516 54.377 53.050 -0.315 0.000 0.851 423 N CB -0.080 38.255 38.487 -0.252 0.000 1.003 423 N HN 0.466 nan 8.380 nan 0.000 0.430 424 L N 1.327 122.431 121.223 -0.198 0.000 2.083 424 L HA -0.140 4.199 4.340 -0.000 0.000 0.209 424 L C 1.841 178.613 176.870 -0.164 0.000 1.083 424 L CA 1.702 56.477 54.840 -0.108 0.000 0.752 424 L CB -0.532 41.506 42.059 -0.035 0.000 0.899 424 L HN 0.100 nan 8.230 nan 0.000 0.433 425 Q N -1.089 118.492 119.800 -0.365 0.000 2.061 425 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 425 Q C 2.331 177.919 176.000 -0.688 0.000 0.984 425 Q CA 2.570 58.136 55.803 -0.395 0.000 0.846 425 Q CB -0.462 27.884 28.738 -0.653 0.000 0.902 425 Q HN 0.582 nan 8.270 nan 0.000 0.421 426 M N 0.208 119.163 119.600 -1.075 0.000 2.159 426 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 426 M C 0.844 176.797 176.300 -0.579 0.000 1.063 426 M CA 1.347 55.792 55.300 -1.425 0.000 1.110 426 M CB 0.012 31.996 32.600 -1.026 0.000 1.374 426 M HN 0.159 nan 8.290 nan 0.000 0.411 427 N N -0.282 118.183 118.700 -0.391 0.000 2.272 427 N HA -0.154 4.585 4.740 -0.000 0.000 0.185 427 N C 0.242 175.127 175.510 -1.042 0.000 1.014 427 N CA 1.298 53.998 53.050 -0.584 0.000 0.870 427 N CB -0.265 37.911 38.487 -0.518 0.000 0.975 427 N HN 0.542 nan 8.380 nan 0.000 0.433 428 Y N -2.093 117.989 120.300 -0.365 0.000 2.696 428 Y HA 0.181 4.731 4.550 -0.000 0.000 0.260 428 Y C 0.694 176.615 175.900 0.034 0.000 1.165 428 Y CA -0.919 57.031 58.100 -0.250 0.000 1.189 428 Y CB -0.026 38.308 38.460 -0.209 0.000 1.180 428 Y HN -0.008 nan 8.280 nan 0.000 0.538 429 W N 1.566 122.896 121.300 0.051 0.000 2.381 429 W HA -0.017 4.643 4.660 -0.000 0.000 0.301 429 W C -0.694 175.888 176.519 0.105 0.000 1.205 429 W CA 0.617 58.068 57.345 0.178 0.000 1.285 429 W CB -1.830 27.836 29.460 0.344 0.000 1.133 429 W HN 0.111 nan 8.180 nan 0.000 0.521 430 P HA 0.105 nan 4.420 nan 0.000 0.261 430 P C 1.068 178.320 177.300 -0.080 0.000 1.268 430 P CA 0.902 64.070 63.100 0.114 0.000 0.833 430 P CB 0.132 31.908 31.700 0.126 0.000 1.231 431 T N -0.798 113.592 114.554 -0.273 0.000 2.788 431 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 431 T C 1.270 175.676 174.700 -0.490 0.000 1.044 431 T CA 1.667 63.496 62.100 -0.451 0.000 1.139 431 T CB -0.636 67.874 68.868 -0.598 0.000 0.867 431 T HN 0.134 nan 8.240 nan 0.000 0.454 432 Y N 1.457 121.604 120.300 -0.255 0.000 2.301 432 Y HA 0.109 4.659 4.550 -0.000 0.000 0.295 432 Y C 2.988 178.616 175.900 -0.453 0.000 1.126 432 Y CA 0.354 58.125 58.100 -0.548 0.000 1.154 432 Y CB -0.987 36.655 38.460 -1.363 0.000 1.075 432 Y HN 0.223 nan 8.280 nan 0.000 0.534 433 S N 0.533 116.115 115.700 -0.197 0.000 2.399 433 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 433 S C 1.845 176.531 174.600 0.143 0.000 1.022 433 S CA 0.907 59.180 58.200 0.121 0.000 0.983 433 S CB -0.716 62.642 63.200 0.263 0.000 0.803 433 S HN 0.305 nan 8.310 nan 0.000 0.480 434 A N 1.067 123.941 122.820 0.091 0.000 2.370 434 A HA 0.395 4.715 4.320 -0.000 0.000 0.238 434 A C 0.692 178.309 177.584 0.054 0.000 1.289 434 A CA -0.082 52.020 52.037 0.109 0.000 0.885 434 A CB -0.803 18.243 19.000 0.077 0.000 0.961 434 A HN 0.490 nan 8.150 nan 0.000 0.499 435 N N -0.785 117.944 118.700 0.047 0.000 2.746 435 N HA -0.144 4.596 4.740 -0.000 0.000 0.250 435 N C -0.049 175.474 175.510 0.022 0.000 1.055 435 N CA 1.111 54.192 53.050 0.052 0.000 0.699 435 N CB -1.428 37.101 38.487 0.069 0.000 0.919 435 N HN 0.610 nan 8.380 nan 0.000 0.548 436 M N -1.222 118.374 119.600 -0.006 0.000 3.017 436 M HA 0.242 4.722 4.480 -0.000 0.000 0.423 436 M C 1.690 177.984 176.300 -0.010 0.000 1.395 436 M CA 0.072 55.361 55.300 -0.018 0.000 0.816 436 M CB 0.555 33.123 32.600 -0.053 0.000 1.440 436 M HN 0.199 nan 8.290 nan 0.000 0.506 437 G N 1.711 110.548 108.800 0.062 0.000 2.513 437 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 437 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 437 G C 1.373 176.369 174.900 0.160 0.000 1.160 437 G CA 1.491 46.706 45.100 0.192 0.000 0.767 437 G HN 0.650 nan 8.290 nan 0.000 0.571 438 E N 0.522 120.782 120.200 0.101 0.000 2.333 438 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 438 E C 2.117 178.760 176.600 0.071 0.000 1.007 438 E CA 0.573 57.024 56.400 0.085 0.000 0.845 438 E CB -0.399 29.341 29.700 0.066 0.000 0.766 438 E HN 0.347 nan 8.360 nan 0.000 0.507 439 L N 1.094 122.348 121.223 0.052 0.000 2.465 439 L HA 0.059 4.399 4.340 -0.000 0.000 0.224 439 L C 2.408 179.340 176.870 0.103 0.000 1.145 439 L CA 1.248 56.118 54.840 0.051 0.000 0.834 439 L CB -0.823 41.240 42.059 0.007 0.000 0.944 439 L HN 0.208 nan 8.230 nan 0.000 0.451 440 A N -0.963 121.908 122.820 0.085 0.000 2.167 440 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 440 A C 2.204 179.785 177.584 -0.005 0.000 1.151 440 A CA 0.910 52.979 52.037 0.053 0.000 0.735 440 A CB -0.272 18.808 19.000 0.133 0.000 0.802 440 A HN 0.357 nan 8.150 nan 0.000 0.467 441 E N 1.295 121.519 120.200 0.040 0.000 2.070 441 E HA -0.165 4.185 4.350 -0.000 0.000 0.197 441 E C -0.615 175.974 176.600 -0.019 0.000 1.004 441 E CA 2.348 58.761 56.400 0.021 0.000 0.805 441 E CB -0.931 28.793 29.700 0.039 0.000 0.744 441 E HN 0.471 nan 8.360 nan 0.000 0.451 442 P HA -0.137 nan 4.420 nan 0.000 0.220 442 P C 1.608 178.837 177.300 -0.118 0.000 1.148 442 P CA 0.902 63.978 63.100 -0.040 0.000 0.803 442 P CB -0.048 31.647 31.700 -0.010 0.000 0.782 443 L N -0.243 120.812 121.223 -0.280 0.000 2.027 443 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 443 L C 2.494 179.260 176.870 -0.172 0.000 1.074 443 L CA 1.570 56.164 54.840 -0.409 0.000 0.745 443 L CB -1.184 40.305 42.059 -0.950 0.000 0.898 443 L HN -0.213 nan 8.230 nan 0.000 0.433 444 I N -0.400 120.100 120.570 -0.117 0.000 2.163 444 I HA -0.311 3.858 4.170 -0.000 0.000 0.243 444 I C 2.530 178.618 176.117 -0.047 0.000 1.085 444 I CA 1.832 63.104 61.300 -0.046 0.000 1.347 444 I CB -0.560 37.438 38.000 -0.002 0.000 1.044 444 I HN 0.421 nan 8.210 nan 0.000 0.408 445 E N 0.453 120.629 120.200 -0.040 0.000 2.153 445 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 445 E C 2.250 178.816 176.600 -0.057 0.000 0.988 445 E CA 1.283 57.658 56.400 -0.041 0.000 0.811 445 E CB -0.162 29.528 29.700 -0.017 0.000 0.746 445 E HN 0.521 nan 8.360 nan 0.000 0.466 446 Y N 0.489 120.679 120.300 -0.184 0.000 2.145 446 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 446 Y C 2.062 177.838 175.900 -0.208 0.000 1.145 446 Y CA 1.672 59.629 58.100 -0.238 0.000 1.148 446 Y CB -0.237 38.004 38.460 -0.365 0.000 0.981 446 Y HN -0.089 nan 8.280 nan 0.000 0.507 447 V N 0.567 120.409 119.914 -0.119 0.000 2.358 447 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 447 V C 2.104 178.047 176.094 -0.251 0.000 1.047 447 V CA 2.179 64.385 62.300 -0.156 0.000 1.035 447 V CB -0.682 31.123 31.823 -0.030 0.000 0.658 447 V HN 0.406 nan 8.190 nan 0.000 0.452 448 E N 0.568 120.643 120.200 -0.208 0.000 2.097 448 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 448 E C 2.286 178.706 176.600 -0.299 0.000 1.000 448 E CA 1.434 57.686 56.400 -0.247 0.000 0.804 448 E CB -0.502 29.104 29.700 -0.158 0.000 0.740 448 E HN 0.663 nan 8.360 nan 0.000 0.454 449 G N 0.798 109.425 108.800 -0.289 0.000 2.471 449 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.219 449 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.219 449 G C 1.464 176.168 174.900 -0.326 0.000 1.125 449 G CA 0.203 45.135 45.100 -0.279 0.000 0.775 449 G HN 0.110 nan 8.290 nan 0.000 0.548 450 L N 0.488 121.461 121.223 -0.417 0.000 2.465 450 L HA 0.010 4.350 4.340 -0.000 0.000 0.224 450 L C 2.707 179.360 176.870 -0.362 0.000 1.145 450 L CA -0.150 54.479 54.840 -0.352 0.000 0.834 450 L CB -0.191 41.691 42.059 -0.295 0.000 0.944 450 L HN 0.062 nan 8.230 nan 0.000 0.451 451 V N 0.285 119.886 119.914 -0.521 0.000 2.261 451 V HA -0.284 3.835 4.120 -0.000 0.000 0.246 451 V C 2.457 178.299 176.094 -0.421 0.000 1.047 451 V CA 1.828 63.726 62.300 -0.669 0.000 1.015 451 V CB -0.432 30.925 31.823 -0.777 0.000 0.642 451 V HN 0.435 nan 8.190 nan 0.000 0.446 452 K N 0.344 120.492 120.400 -0.420 0.000 2.002 452 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 452 K C -0.026 176.133 176.600 -0.736 0.000 1.048 452 K CA 1.855 57.823 56.287 -0.532 0.000 0.930 452 K CB -1.459 30.720 32.500 -0.536 0.000 0.714 452 K HN 0.460 nan 8.250 nan 0.000 0.438 453 P HA -0.144 nan 4.420 nan 0.000 0.217 453 P C 1.420 178.568 177.300 -0.255 0.000 1.150 453 P CA 1.745 64.542 63.100 -0.505 0.000 0.832 453 P CB -0.186 31.433 31.700 -0.136 0.000 0.787 454 G N 0.433 109.103 108.800 -0.217 0.000 2.448 454 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 454 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 454 G C 1.770 176.566 174.900 -0.174 0.000 1.127 454 G CA 0.334 45.350 45.100 -0.140 0.000 0.766 454 G HN 0.250 nan 8.290 nan 0.000 0.552 455 R N -0.232 120.150 120.500 -0.196 0.000 2.096 455 R HA -0.005 4.335 4.340 -0.000 0.000 0.235 455 R C 2.614 178.820 176.300 -0.156 0.000 1.127 455 R CA 1.006 56.989 56.100 -0.194 0.000 0.968 455 R CB -0.425 29.773 30.300 -0.171 0.000 0.861 455 R HN 0.304 nan 8.270 nan 0.000 0.440 456 V N 0.498 120.330 119.914 -0.136 0.000 2.295 456 V HA -0.261 3.858 4.120 -0.000 0.000 0.246 456 V C 2.086 178.155 176.094 -0.041 0.000 1.049 456 V CA 2.306 64.562 62.300 -0.074 0.000 1.024 456 V CB -0.680 31.122 31.823 -0.036 0.000 0.648 456 V HN 0.395 nan 8.190 nan 0.000 0.447 457 T N 0.521 115.060 114.554 -0.025 0.000 2.746 457 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 457 T C 2.093 176.865 174.700 0.119 0.000 1.039 457 T CA 1.601 63.764 62.100 0.105 0.000 1.142 457 T CB -0.474 68.426 68.868 0.052 0.000 0.866 457 T HN 0.571 nan 8.240 nan 0.000 0.444 458 A N 1.673 124.443 122.820 -0.083 0.000 1.933 458 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 458 A C 2.239 179.796 177.584 -0.046 0.000 1.175 458 A CA 1.896 53.839 52.037 -0.158 0.000 0.628 458 A CB -0.543 18.105 19.000 -0.587 0.000 0.814 458 A HN 0.476 nan 8.150 nan 0.000 0.444 459 K N -0.236 120.116 120.400 -0.079 0.000 2.002 459 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 459 K C 1.865 178.442 176.600 -0.038 0.000 1.048 459 K CA 1.787 58.038 56.287 -0.062 0.000 0.930 459 K CB -0.345 32.116 32.500 -0.065 0.000 0.714 459 K HN 0.222 nan 8.250 nan 0.000 0.438 460 V N 0.477 120.352 119.914 -0.065 0.000 2.343 460 V HA -0.236 3.883 4.120 -0.000 0.000 0.247 460 V C 1.814 177.740 176.094 -0.280 0.000 1.051 460 V CA 1.766 63.931 62.300 -0.223 0.000 1.036 460 V CB -0.520 31.084 31.823 -0.365 0.000 0.654 460 V HN 0.341 nan 8.190 nan 0.000 0.451 461 Y N -1.015 119.343 120.300 0.098 0.000 2.507 461 Y HA 0.489 5.039 4.550 -0.000 0.000 0.263 461 Y C 1.931 177.961 175.900 0.218 0.000 1.093 461 Y CA 0.710 58.930 58.100 0.200 0.000 1.285 461 Y CB 0.155 38.829 38.460 0.357 0.000 1.115 461 Y HN 0.176 nan 8.280 nan 0.000 0.533 462 A N -1.037 121.959 122.820 0.292 0.000 2.551 462 A HA 0.531 4.851 4.320 -0.000 0.000 0.252 462 A C 1.647 179.320 177.584 0.148 0.000 1.199 462 A CA 0.406 52.586 52.037 0.239 0.000 0.972 462 A CB -0.404 18.770 19.000 0.290 0.000 1.153 462 A HN 0.419 nan 8.150 nan 0.000 0.559 463 G N -0.698 108.147 108.800 0.075 0.000 2.160 463 G HA2 0.069 4.029 3.960 -0.000 0.000 0.251 463 G HA3 0.069 4.029 3.960 -0.000 0.000 0.251 463 G C 0.404 175.273 174.900 -0.053 0.000 1.008 463 G CA 0.364 45.491 45.100 0.046 0.000 0.724 463 G HN 1.755 nan 8.290 nan 0.000 0.514 464 A N 0.243 122.872 122.820 -0.318 0.000 2.478 464 A HA 0.662 4.982 4.320 -0.000 0.000 0.327 464 A C 0.258 177.684 177.584 -0.263 0.000 1.431 464 A CA 0.254 51.864 52.037 -0.711 0.000 1.014 464 A CB 0.348 18.642 19.000 -1.177 0.000 1.143 464 A HN 0.605 nan 8.150 nan 0.000 0.532 465 E N 2.419 122.561 120.200 -0.096 0.000 2.146 465 E HA 0.371 4.721 4.350 -0.000 0.000 0.282 465 E C -0.686 175.906 176.600 -0.013 0.000 0.989 465 E CA -0.261 56.114 56.400 -0.041 0.000 0.799 465 E CB 0.747 30.447 29.700 -0.001 0.000 1.088 465 E HN 0.460 nan 8.360 nan 0.000 0.397 466 T N 3.836 118.368 114.554 -0.037 0.000 2.767 466 T HA 0.173 4.523 4.350 -0.000 0.000 0.288 466 T C -0.191 174.500 174.700 -0.015 0.000 0.963 466 T CA -0.638 61.448 62.100 -0.023 0.000 1.019 466 T CB 1.001 69.840 68.868 -0.049 0.000 0.923 466 T HN 0.620 nan 8.240 nan 0.000 0.468 467 T N 2.228 116.782 114.554 -0.001 0.000 2.916 467 T HA 0.131 4.481 4.350 -0.000 0.000 0.303 467 T C 0.639 175.336 174.700 -0.004 0.000 1.025 467 T CA -0.705 61.396 62.100 0.001 0.000 1.142 467 T CB 0.118 68.990 68.868 0.007 0.000 0.947 467 T HN 0.629 nan 8.240 nan 0.000 0.544 468 N N 3.047 121.749 118.700 0.003 0.000 2.652 468 N HA -0.114 4.626 4.740 -0.000 0.000 0.281 468 N C -1.878 173.631 175.510 -0.002 0.000 1.084 468 N CA 0.066 53.121 53.050 0.008 0.000 0.775 468 N CB -0.427 38.064 38.487 0.006 0.000 0.923 468 N HN 0.515 nan 8.380 nan 0.000 0.558 469 P HA -0.136 nan 4.420 nan 0.000 0.217 469 P C 1.056 178.332 177.300 -0.041 0.000 1.148 469 P CA 1.219 64.288 63.100 -0.052 0.000 0.828 469 P CB 0.222 31.870 31.700 -0.087 0.000 0.783 470 E N -1.631 118.598 120.200 0.048 0.000 2.106 470 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 470 E C 1.801 178.412 176.600 0.019 0.000 0.984 470 E CA 1.336 57.791 56.400 0.090 0.000 0.806 470 E CB -0.353 29.425 29.700 0.129 0.000 0.750 470 E HN 0.148 nan 8.360 nan 0.000 0.458 471 T N -0.457 114.098 114.554 0.002 0.000 3.022 471 T HA 0.037 4.386 4.350 -0.000 0.000 0.250 471 T C 0.285 174.971 174.700 -0.024 0.000 1.060 471 T CA 0.081 62.175 62.100 -0.011 0.000 1.013 471 T CB 0.286 69.151 68.868 -0.005 0.000 0.982 471 T HN -0.041 nan 8.240 nan 0.000 0.508 472 T N 4.766 119.300 114.554 -0.033 0.000 2.737 472 T HA 0.363 4.713 4.350 -0.000 0.000 0.296 472 T C -2.529 172.138 174.700 -0.055 0.000 0.922 472 T CA -0.988 61.089 62.100 -0.039 0.000 1.079 472 T CB 1.231 70.075 68.868 -0.040 0.000 0.892 472 T HN 0.191 nan 8.240 nan 0.000 0.514 473 P HA 0.116 nan 4.420 nan 0.000 0.268 473 P C 0.181 177.438 177.300 -0.073 0.000 1.208 473 P CA -0.380 62.686 63.100 -0.056 0.000 0.777 473 P CB 0.314 31.992 31.700 -0.036 0.000 0.875 474 I N 1.414 121.926 120.570 -0.097 0.000 2.752 474 I HA 0.032 4.202 4.170 -0.000 0.000 0.289 474 I C 1.720 177.794 176.117 -0.071 0.000 1.197 474 I CA 1.546 62.774 61.300 -0.121 0.000 1.432 474 I CB -0.636 37.270 38.000 -0.157 0.000 1.359 474 I HN 0.768 nan 8.210 nan 0.000 0.571 475 G N 4.388 113.160 108.800 -0.047 0.000 2.254 475 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.225 475 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.225 475 G C 0.637 175.515 174.900 -0.037 0.000 1.003 475 G CA 0.038 45.114 45.100 -0.040 0.000 0.622 475 G HN 0.663 nan 8.290 nan 0.000 0.507 476 E N 0.631 120.807 120.200 -0.041 0.000 2.481 476 E HA 0.387 4.737 4.350 -0.000 0.000 0.198 476 E C 1.519 178.082 176.600 -0.061 0.000 1.027 476 E CA 0.188 56.559 56.400 -0.048 0.000 0.900 476 E CB 0.831 30.511 29.700 -0.033 0.000 0.993 476 E HN 0.537 nan 8.360 nan 0.000 0.482 477 G N 0.620 109.390 108.800 -0.050 0.000 2.557 477 G HA2 0.083 4.043 3.960 -0.000 0.000 0.302 477 G HA3 0.083 4.043 3.960 -0.000 0.000 0.302 477 G C 0.478 175.358 174.900 -0.033 0.000 1.311 477 G CA -0.376 44.701 45.100 -0.039 0.000 1.030 477 G HN -0.087 nan 8.290 nan 0.000 0.509 478 E N -0.509 119.707 120.200 0.027 0.000 2.478 478 E HA 0.250 4.600 4.350 -0.000 0.000 0.194 478 E C 1.003 177.757 176.600 0.257 0.000 1.045 478 E CA 0.799 57.313 56.400 0.191 0.000 0.868 478 E CB 0.596 30.411 29.700 0.192 0.000 0.885 478 E HN 0.862 nan 8.360 nan 0.000 0.505 479 G N 0.926 109.749 108.800 0.038 0.000 2.348 479 G HA2 0.048 4.008 3.960 -0.000 0.000 0.606 479 G HA3 0.048 4.008 3.960 -0.000 0.000 0.606 479 G C -1.503 173.095 174.900 -0.504 0.000 1.466 479 G CA -0.757 44.224 45.100 -0.199 0.000 0.950 479 G HN 0.117 nan 8.290 nan 0.000 0.657 480 Y N -0.968 118.914 120.300 -0.697 0.000 2.391 480 Y HA 0.858 5.407 4.550 -0.000 0.000 0.341 480 Y C -0.063 175.430 175.900 -0.678 0.000 0.965 480 Y CA -1.680 56.063 58.100 -0.595 0.000 1.067 480 Y CB 2.020 40.275 38.460 -0.342 0.000 1.199 480 Y HN 0.743 nan 8.280 nan 0.000 0.450 481 M N 4.201 123.497 119.600 -0.505 0.000 2.393 481 M HA 0.899 5.378 4.480 -0.000 0.000 0.316 481 M C -1.632 174.512 176.300 -0.260 0.000 1.087 481 M CA -0.583 54.473 55.300 -0.406 0.000 0.937 481 M CB 1.802 34.211 32.600 -0.319 0.000 1.668 481 M HN 1.049 nan 8.290 nan 0.000 0.438 482 A N 2.799 125.422 122.820 -0.329 0.000 2.594 482 A HA 0.790 5.110 4.320 -0.000 0.000 0.291 482 A C -1.824 175.470 177.584 -0.483 0.000 1.105 482 A CA -0.592 51.301 52.037 -0.240 0.000 0.694 482 A CB 1.369 20.322 19.000 -0.078 0.000 1.291 482 A HN 1.017 nan 8.150 nan 0.000 0.410 483 H N -0.927 118.064 119.070 -0.132 0.000 3.878 483 H HA 0.560 5.115 4.556 -0.000 0.000 0.332 483 H C 1.197 176.503 175.328 -0.037 0.000 1.613 483 H CA 0.583 56.545 56.048 -0.144 0.000 1.413 483 H CB 0.329 29.950 29.762 -0.236 0.000 1.066 483 H HN 0.524 nan 8.280 nan 0.000 0.797 484 T N 0.131 114.765 114.554 0.134 0.000 2.781 484 T HA 0.010 4.360 4.350 -0.000 0.000 0.252 484 T C -0.055 174.610 174.700 -0.058 0.000 1.039 484 T CA 0.824 62.938 62.100 0.024 0.000 1.147 484 T CB -0.117 68.770 68.868 0.031 0.000 0.865 484 T HN 0.332 nan 8.240 nan 0.000 0.423 485 E N 2.565 122.799 120.200 0.056 0.000 2.129 485 E HA 0.247 4.597 4.350 -0.000 0.000 0.283 485 E C -0.481 176.337 176.600 0.363 0.000 1.080 485 E CA -0.119 56.356 56.400 0.125 0.000 0.867 485 E CB 0.441 30.348 29.700 0.345 0.000 1.056 485 E HN 0.292 nan 8.360 nan 0.000 0.404 486 N N 1.506 120.406 118.700 0.334 0.000 2.380 486 N HA 0.395 5.135 4.740 -0.000 0.000 0.290 486 N C -0.382 175.391 175.510 0.439 0.000 1.236 486 N CA -0.305 52.997 53.050 0.419 0.000 0.780 486 N CB 2.289 41.002 38.487 0.378 0.000 1.438 486 N HN 0.489 nan 8.380 nan 0.000 0.491 487 T N -3.693 111.048 114.554 0.312 0.000 2.618 487 T HA 0.545 4.895 4.350 -0.000 0.000 0.286 487 T C 0.660 175.101 174.700 -0.431 0.000 1.027 487 T CA -0.480 61.532 62.100 -0.148 0.000 1.063 487 T CB 0.787 69.580 68.868 -0.125 0.000 1.440 487 T HN 0.318 nan 8.240 nan 0.000 0.505 488 A N -0.681 121.348 122.820 -1.318 0.000 2.239 488 A HA 0.241 4.561 4.320 -0.000 0.000 0.209 488 A C 0.450 177.507 177.584 -0.879 0.000 1.171 488 A CA 0.590 51.938 52.037 -1.148 0.000 0.768 488 A CB -0.962 16.940 19.000 -1.831 0.000 0.790 488 A HN 0.732 nan 8.150 nan 0.000 0.478 489 Y N -1.045 119.031 120.300 -0.372 0.000 2.698 489 Y HA 0.422 4.972 4.550 -0.000 0.000 0.261 489 Y C 1.352 177.079 175.900 -0.287 0.000 1.104 489 Y CA -0.750 56.910 58.100 -0.733 0.000 1.145 489 Y CB -0.066 38.054 38.460 -0.566 0.000 1.191 489 Y HN 0.307 nan 8.280 nan 0.000 0.564 490 G N 0.257 109.088 108.800 0.052 0.000 2.273 490 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.280 490 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.280 490 G C 0.113 175.210 174.900 0.329 0.000 1.047 490 G CA -0.013 45.220 45.100 0.222 0.000 0.869 490 G HN 0.647 nan 8.290 nan 0.000 0.502 491 W N 2.052 123.442 121.300 0.150 0.000 1.836 491 W HA 0.357 5.017 4.660 -0.000 0.000 0.449 491 W C 1.133 177.720 176.519 0.115 0.000 0.787 491 W CA 0.279 57.729 57.345 0.175 0.000 1.729 491 W CB -0.156 29.440 29.460 0.226 0.000 1.802 491 W HN 0.385 nan 8.180 nan 0.000 0.257 492 T N 0.353 114.914 114.554 0.012 0.000 3.060 492 T HA 0.274 4.624 4.350 -0.000 0.000 0.249 492 T C 1.015 175.669 174.700 -0.077 0.000 1.079 492 T CA -0.013 62.076 62.100 -0.017 0.000 1.013 492 T CB 0.237 69.084 68.868 -0.035 0.000 0.975 492 T HN 0.245 nan 8.240 nan 0.000 0.518 493 A N 3.485 126.133 122.820 -0.287 0.000 2.448 493 A HA 0.526 4.846 4.320 -0.000 0.000 0.239 493 A C -2.023 175.325 177.584 -0.394 0.000 1.080 493 A CA -1.297 50.535 52.037 -0.341 0.000 0.779 493 A CB -0.118 18.590 19.000 -0.487 0.000 1.026 493 A HN 0.323 nan 8.150 nan 0.000 0.499 494 P HA 0.252 nan 4.420 nan 0.000 0.274 494 P C 0.427 177.536 177.300 -0.320 0.000 1.237 494 P CA 0.176 62.817 63.100 -0.765 0.000 0.793 494 P CB 0.587 31.699 31.700 -0.981 0.000 0.977 495 G N 0.627 109.318 108.800 -0.181 0.000 2.563 495 G HA2 0.125 4.085 3.960 -0.000 0.000 0.283 495 G HA3 0.125 4.085 3.960 -0.000 0.000 0.283 495 G C 0.833 175.591 174.900 -0.235 0.000 1.309 495 G CA -0.372 44.698 45.100 -0.050 0.000 1.022 495 G HN 0.626 nan 8.290 nan 0.000 0.501 496 Q N -1.722 117.982 119.800 -0.159 0.000 2.432 496 Q HA 0.166 4.506 4.340 -0.000 0.000 0.205 496 Q C 0.721 176.585 176.000 -0.227 0.000 0.945 496 Q CA 0.674 56.434 55.803 -0.073 0.000 0.924 496 Q CB 0.239 29.067 28.738 0.149 0.000 1.016 496 Q HN 0.213 nan 8.270 nan 0.000 0.503 497 S N -0.618 114.675 115.700 -0.678 0.000 2.532 497 S HA 0.297 4.767 4.470 -0.000 0.000 0.299 497 S C -0.249 173.943 174.600 -0.681 0.000 1.105 497 S CA -0.893 56.951 58.200 -0.593 0.000 1.018 497 S CB 0.769 63.693 63.200 -0.460 0.000 1.021 497 S HN 0.407 nan 8.310 nan 0.000 0.483 498 F N 4.674 124.365 119.950 -0.431 0.000 2.095 498 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 498 F C 2.553 178.202 175.800 -0.251 0.000 1.104 498 F CA 2.571 60.394 58.000 -0.295 0.000 1.232 498 F CB -0.458 38.383 39.000 -0.265 0.000 0.987 498 F HN 0.722 nan 8.300 nan 0.000 0.475 499 S N 1.136 116.711 115.700 -0.209 0.000 2.359 499 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 499 S C 1.977 176.572 174.600 -0.008 0.000 1.035 499 S CA 1.546 59.562 58.200 -0.306 0.000 1.018 499 S CB -1.518 61.538 63.200 -0.241 0.000 0.876 499 S HN 0.765 nan 8.310 nan 0.000 0.448 500 W N 0.768 122.101 121.300 0.054 0.000 3.013 500 W HA 0.549 5.209 4.660 -0.000 0.000 0.280 500 W C 1.688 178.258 176.519 0.085 0.000 1.249 500 W CA 0.110 57.522 57.345 0.111 0.000 1.577 500 W CB -0.505 29.051 29.460 0.161 0.000 1.057 500 W HN 0.405 nan 8.180 nan 0.000 0.613 501 G N 0.127 108.731 108.800 -0.326 0.000 2.719 501 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.211 501 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.211 501 G C -0.025 174.789 174.900 -0.143 0.000 1.140 501 G CA -0.104 44.820 45.100 -0.293 0.000 0.790 501 G HN 0.197 nan 8.290 nan 0.000 0.529 502 W N 2.481 123.526 121.300 -0.425 0.000 2.376 502 W HA 0.553 5.213 4.660 -0.000 0.000 0.312 502 W C -0.659 175.809 176.519 -0.084 0.000 1.060 502 W CA -0.685 56.433 57.345 -0.378 0.000 1.221 502 W CB 1.537 30.596 29.460 -0.668 0.000 1.281 502 W HN 0.123 nan 8.180 nan 0.000 0.456 503 S N 5.438 121.141 115.700 0.005 0.000 2.835 503 S HA 0.143 4.613 4.470 -0.000 0.000 0.140 503 S C -2.058 172.419 174.600 -0.205 0.000 1.131 503 S CA -0.745 57.465 58.200 0.017 0.000 1.110 503 S CB 0.905 64.212 63.200 0.179 0.000 1.683 503 S HN 0.377 nan 8.310 nan 0.000 0.473 504 P HA 0.000 nan 4.420 nan 0.000 0.222 504 P C 1.442 178.683 177.300 -0.098 0.000 1.147 504 P CA 1.291 64.061 63.100 -0.549 0.000 0.790 504 P CB -0.101 31.311 31.700 -0.480 0.000 0.780 505 A N 0.247 123.072 122.820 0.008 0.000 2.209 505 A HA 0.136 4.456 4.320 -0.000 0.000 0.212 505 A C 2.353 179.991 177.584 0.089 0.000 1.158 505 A CA 1.125 53.152 52.037 -0.016 0.000 0.742 505 A CB -1.179 17.675 19.000 -0.243 0.000 0.790 505 A HN 0.205 nan 8.150 nan 0.000 0.472 506 A N -0.226 122.677 122.820 0.137 0.000 1.958 506 A HA -0.112 4.208 4.320 -0.000 0.000 0.221 506 A C 2.188 179.846 177.584 0.123 0.000 1.178 506 A CA 2.069 54.215 52.037 0.181 0.000 0.642 506 A CB -0.844 18.196 19.000 0.067 0.000 0.816 506 A HN 0.393 nan 8.150 nan 0.000 0.453 507 V N 0.174 120.112 119.914 0.040 0.000 2.244 507 V HA -0.154 3.965 4.120 -0.000 0.000 0.244 507 V C 0.059 176.183 176.094 0.049 0.000 1.042 507 V CA 2.379 64.701 62.300 0.036 0.000 1.006 507 V CB -1.663 30.139 31.823 -0.035 0.000 0.641 507 V HN 0.327 nan 8.190 nan 0.000 0.446 508 P HA -0.240 nan 4.420 nan 0.000 0.217 508 P C 1.427 178.792 177.300 0.107 0.000 1.158 508 P CA 2.021 65.082 63.100 -0.065 0.000 0.887 508 P CB -0.198 31.357 31.700 -0.242 0.000 0.792 509 W N 0.145 121.419 121.300 -0.043 0.000 2.333 509 W HA -0.144 4.516 4.660 -0.000 0.000 0.316 509 W C 2.057 178.627 176.519 0.085 0.000 1.215 509 W CA 0.812 58.178 57.345 0.036 0.000 1.278 509 W CB -1.361 28.147 29.460 0.079 0.000 1.154 509 W HN -0.147 nan 8.180 nan 0.000 0.486 510 I N 0.584 121.284 120.570 0.217 0.000 2.614 510 I HA -0.225 3.945 4.170 -0.000 0.000 0.258 510 I C 2.249 178.455 176.117 0.150 0.000 1.189 510 I CA 1.307 62.667 61.300 0.100 0.000 1.462 510 I CB -0.598 37.421 38.000 0.032 0.000 1.092 510 I HN -0.106 nan 8.210 nan 0.000 0.442 511 L N -0.559 120.757 121.223 0.156 0.000 2.456 511 L HA -0.171 4.169 4.340 -0.000 0.000 0.224 511 L C 2.329 179.316 176.870 0.195 0.000 1.148 511 L CA 0.713 55.639 54.840 0.143 0.000 0.825 511 L CB -0.552 41.554 42.059 0.078 0.000 0.937 511 L HN 0.345 nan 8.230 nan 0.000 0.450 512 Q N -0.104 119.841 119.800 0.242 0.000 2.016 512 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 512 Q C 1.942 178.140 176.000 0.331 0.000 0.978 512 Q CA 1.333 57.310 55.803 0.290 0.000 0.833 512 Q CB -0.120 28.806 28.738 0.313 0.000 0.895 512 Q HN 0.583 nan 8.270 nan 0.000 0.427 513 N N 0.194 119.095 118.700 0.334 0.000 2.094 513 N HA -0.168 4.571 4.740 -0.000 0.000 0.191 513 N C 1.940 177.650 175.510 0.333 0.000 1.023 513 N CA 1.528 54.798 53.050 0.366 0.000 0.857 513 N CB -0.161 38.478 38.487 0.253 0.000 1.013 513 N HN 0.066 nan 8.380 nan 0.000 0.426 514 V N 0.784 120.835 119.914 0.228 0.000 2.270 514 V HA -0.225 3.894 4.120 -0.000 0.000 0.245 514 V C 2.098 178.311 176.094 0.198 0.000 1.043 514 V CA 1.396 63.805 62.300 0.181 0.000 1.014 514 V CB -0.792 31.110 31.823 0.132 0.000 0.645 514 V HN 0.255 nan 8.190 nan 0.000 0.447 515 Y N 1.372 121.738 120.300 0.109 0.000 2.256 515 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 515 Y C 2.450 178.403 175.900 0.089 0.000 1.155 515 Y CA 1.908 60.076 58.100 0.113 0.000 1.203 515 Y CB -0.250 38.270 38.460 0.101 0.000 0.980 515 Y HN 0.399 nan 8.280 nan 0.000 0.530 516 E N -0.378 119.834 120.200 0.021 0.000 2.265 516 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 516 E C 2.296 178.511 176.600 -0.642 0.000 0.996 516 E CA 0.645 56.951 56.400 -0.156 0.000 0.832 516 E CB -0.228 29.577 29.700 0.176 0.000 0.756 516 E HN 0.584 nan 8.360 nan 0.000 0.491 517 A N 0.756 123.191 122.820 -0.642 0.000 1.933 517 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 517 A C 1.994 179.407 177.584 -0.285 0.000 1.175 517 A CA 1.337 53.008 52.037 -0.611 0.000 0.628 517 A CB -0.590 18.366 19.000 -0.073 0.000 0.814 517 A HN 0.430 nan 8.150 nan 0.000 0.444 518 Y N 0.510 120.617 120.300 -0.323 0.000 2.184 518 Y HA -0.090 4.460 4.550 -0.000 0.000 0.290 518 Y C 2.192 177.883 175.900 -0.348 0.000 1.129 518 Y CA 1.863 59.786 58.100 -0.296 0.000 1.144 518 Y CB -0.394 37.892 38.460 -0.289 0.000 0.995 518 Y HN 0.429 nan 8.280 nan 0.000 0.513 519 E N -0.869 118.882 120.200 -0.749 0.000 2.130 519 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 519 E C 1.695 177.981 176.600 -0.523 0.000 0.998 519 E CA 1.818 57.792 56.400 -0.711 0.000 0.806 519 E CB -0.370 29.018 29.700 -0.520 0.000 0.738 519 E HN 0.614 nan 8.360 nan 0.000 0.459 520 Y N -0.531 119.506 120.300 -0.438 0.000 2.523 520 Y HA -0.047 4.503 4.550 -0.000 0.000 0.279 520 Y C 2.456 178.216 175.900 -0.233 0.000 1.139 520 Y CA 0.906 58.846 58.100 -0.266 0.000 1.296 520 Y CB 0.541 38.874 38.460 -0.212 0.000 1.045 520 Y HN 0.071 nan 8.280 nan 0.000 0.538 521 S N -2.651 112.955 115.700 -0.157 0.000 2.564 521 S HA 0.301 4.771 4.470 -0.000 0.000 0.231 521 S C 1.864 176.362 174.600 -0.171 0.000 1.067 521 S CA 0.410 58.542 58.200 -0.113 0.000 0.908 521 S CB 0.264 63.435 63.200 -0.048 0.000 0.809 521 S HN 0.402 nan 8.310 nan 0.000 0.491 522 G N 1.642 110.244 108.800 -0.331 0.000 2.168 522 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 522 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 522 G C -0.238 174.684 174.900 0.036 0.000 0.977 522 G CA 0.402 45.341 45.100 -0.268 0.000 0.659 522 G HN 0.754 nan 8.290 nan 0.000 0.533 523 D N 0.571 121.021 120.400 0.083 0.000 2.417 523 D HA 0.365 5.005 4.640 -0.000 0.000 0.250 523 D C 0.300 176.708 176.300 0.181 0.000 1.166 523 D CA -0.995 53.078 54.000 0.122 0.000 0.881 523 D CB 1.078 41.929 40.800 0.086 0.000 1.164 523 D HN 0.145 nan 8.370 nan 0.000 0.467 524 P HA -0.130 nan 4.420 nan 0.000 0.217 524 P C 0.897 178.216 177.300 0.032 0.000 1.151 524 P CA 0.859 63.996 63.100 0.062 0.000 0.828 524 P CB 0.106 31.829 31.700 0.039 0.000 0.788 525 A N -0.172 122.672 122.820 0.039 0.000 1.930 525 A HA -0.125 4.194 4.320 -0.000 0.000 0.217 525 A C 2.227 179.831 177.584 0.033 0.000 1.175 525 A CA 1.191 53.246 52.037 0.030 0.000 0.627 525 A CB -1.527 17.492 19.000 0.031 0.000 0.815 525 A HN 0.082 nan 8.150 nan 0.000 0.443 526 L N -0.781 120.476 121.223 0.056 0.000 2.093 526 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 526 L C 2.312 179.191 176.870 0.015 0.000 1.085 526 L CA 1.605 56.485 54.840 0.066 0.000 0.755 526 L CB -0.950 41.180 42.059 0.119 0.000 0.904 526 L HN 0.438 nan 8.230 nan 0.000 0.435 527 L N -0.464 120.714 121.223 -0.074 0.000 2.043 527 L HA -0.246 4.093 4.340 -0.000 0.000 0.212 527 L C 2.052 178.869 176.870 -0.088 0.000 1.075 527 L CA 1.904 56.547 54.840 -0.327 0.000 0.752 527 L CB -0.930 40.843 42.059 -0.476 0.000 0.891 527 L HN 0.288 nan 8.230 nan 0.000 0.432 528 D N -0.680 119.712 120.400 -0.014 0.000 2.117 528 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 528 D C 2.352 178.704 176.300 0.086 0.000 0.982 528 D CA 1.189 55.226 54.000 0.062 0.000 0.828 528 D CB -0.051 40.773 40.800 0.040 0.000 0.967 528 D HN 0.393 nan 8.370 nan 0.000 0.464 529 R N 0.330 120.858 120.500 0.047 0.000 2.062 529 R HA -0.069 4.270 4.340 -0.000 0.000 0.229 529 R C 2.499 178.829 176.300 0.049 0.000 1.128 529 R CA 1.188 57.309 56.100 0.035 0.000 0.960 529 R CB -0.358 29.957 30.300 0.025 0.000 0.855 529 R HN 0.212 nan 8.270 nan 0.000 0.432 530 V N -1.294 118.666 119.914 0.076 0.000 2.453 530 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 530 V C 1.974 178.143 176.094 0.126 0.000 1.048 530 V CA 1.395 63.769 62.300 0.123 0.000 1.049 530 V CB -0.856 31.098 31.823 0.218 0.000 0.672 530 V HN 0.262 nan 8.190 nan 0.000 0.457 531 Y N 2.204 122.513 120.300 0.016 0.000 2.181 531 Y HA -0.020 4.529 4.550 -0.000 0.000 0.288 531 Y C 2.581 178.519 175.900 0.063 0.000 1.146 531 Y CA 1.849 59.968 58.100 0.032 0.000 1.164 531 Y CB -0.843 37.623 38.460 0.010 0.000 0.982 531 Y HN 0.314 nan 8.280 nan 0.000 0.515 532 A N 0.274 123.046 122.820 -0.079 0.000 1.902 532 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 532 A C 2.331 179.854 177.584 -0.103 0.000 1.181 532 A CA 1.826 53.776 52.037 -0.145 0.000 0.623 532 A CB -1.150 17.827 19.000 -0.038 0.000 0.818 532 A HN 0.547 nan 8.150 nan 0.000 0.443 533 L N -0.797 120.406 121.223 -0.033 0.000 2.046 533 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 533 L C 2.569 179.488 176.870 0.081 0.000 1.077 533 L CA 1.103 55.981 54.840 0.063 0.000 0.747 533 L CB -0.446 41.654 42.059 0.069 0.000 0.896 533 L HN 0.368 nan 8.230 nan 0.000 0.432 534 L N -0.322 120.873 121.223 -0.048 0.000 2.093 534 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 534 L C 2.657 179.375 176.870 -0.253 0.000 1.085 534 L CA 1.149 55.892 54.840 -0.161 0.000 0.755 534 L CB -0.369 41.573 42.059 -0.195 0.000 0.904 534 L HN 0.244 nan 8.230 nan 0.000 0.435 535 K N 0.549 120.796 120.400 -0.254 0.000 2.026 535 K HA -0.258 4.061 4.320 -0.000 0.000 0.208 535 K C 2.066 178.737 176.600 0.118 0.000 1.048 535 K CA 1.797 58.042 56.287 -0.069 0.000 0.929 535 K CB -0.009 32.309 32.500 -0.302 0.000 0.713 535 K HN 0.231 nan 8.250 nan 0.000 0.439 536 E N -0.055 120.199 120.200 0.091 0.000 2.107 536 E HA -0.206 4.143 4.350 -0.000 0.000 0.191 536 E C 1.800 178.513 176.600 0.188 0.000 0.982 536 E CA 1.069 57.584 56.400 0.190 0.000 0.809 536 E CB 0.071 29.903 29.700 0.220 0.000 0.756 536 E HN 0.291 nan 8.360 nan 0.000 0.459 537 E N 0.103 120.324 120.200 0.034 0.000 2.106 537 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 537 E C 1.918 178.580 176.600 0.104 0.000 0.984 537 E CA 1.406 57.757 56.400 -0.083 0.000 0.806 537 E CB -0.093 29.435 29.700 -0.286 0.000 0.750 537 E HN 0.096 nan 8.360 nan 0.000 0.458 538 S N -0.363 115.299 115.700 -0.063 0.000 2.368 538 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 538 S C 1.744 176.445 174.600 0.168 0.000 1.029 538 S CA 0.976 59.057 58.200 -0.197 0.000 0.988 538 S CB -0.536 62.082 63.200 -0.970 0.000 0.838 538 S HN 0.461 nan 8.310 nan 0.000 0.462 539 H N 0.352 119.592 119.070 0.283 0.000 2.319 539 H HA -0.176 4.380 4.556 -0.000 0.000 0.297 539 H C 2.097 177.673 175.328 0.412 0.000 1.097 539 H CA 2.001 58.282 56.048 0.389 0.000 1.285 539 H CB -0.500 29.473 29.762 0.351 0.000 1.368 539 H HN 0.412 nan 8.280 nan 0.000 0.495 540 F N 0.877 121.031 119.950 0.341 0.000 2.091 540 F HA -0.272 4.255 4.527 -0.001 0.000 0.299 540 F C 2.132 178.045 175.800 0.189 0.000 1.103 540 F CA 1.644 59.813 58.000 0.283 0.000 1.228 540 F CB -1.091 37.936 39.000 0.046 0.000 0.984 540 F HN 0.108 nan 8.300 nan 0.000 0.477 541 Y N -0.505 119.758 120.300 -0.062 0.000 2.163 541 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 541 Y C 2.569 178.456 175.900 -0.022 0.000 1.136 541 Y CA 1.839 59.833 58.100 -0.177 0.000 1.147 541 Y CB -0.934 37.443 38.460 -0.139 0.000 0.987 541 Y HN -0.118 nan 8.280 nan 0.000 0.509 542 V N 0.330 120.381 119.914 0.228 0.000 2.287 542 V HA -0.343 3.776 4.120 -0.000 0.000 0.248 542 V C 1.449 177.749 176.094 0.343 0.000 1.053 542 V CA 2.502 65.017 62.300 0.359 0.000 1.027 542 V CB -0.662 31.368 31.823 0.345 0.000 0.646 542 V HN 0.463 nan 8.190 nan 0.000 0.447 543 N N -2.030 116.699 118.700 0.049 0.000 2.416 543 N HA -0.016 4.724 4.740 -0.000 0.000 0.177 543 N C 1.243 176.464 175.510 -0.482 0.000 1.036 543 N CA 0.919 53.860 53.050 -0.182 0.000 0.901 543 N CB 0.083 38.232 38.487 -0.563 0.000 0.976 543 N HN 0.595 nan 8.380 nan 0.000 0.444 544 Y N -1.805 118.437 120.300 -0.098 0.000 2.435 544 Y HA 0.325 4.874 4.550 -0.000 0.000 0.270 544 Y C 1.391 177.085 175.900 -0.344 0.000 1.093 544 Y CA -0.160 57.805 58.100 -0.225 0.000 1.226 544 Y CB 0.533 38.831 38.460 -0.270 0.000 1.289 544 Y HN -0.027 nan 8.280 nan 0.000 0.529 545 M N -0.403 119.004 119.600 -0.323 0.000 2.638 545 M HA 0.295 4.775 4.480 -0.000 0.000 0.256 545 M C 0.157 176.374 176.300 -0.137 0.000 1.282 545 M CA 0.599 55.665 55.300 -0.389 0.000 1.155 545 M CB -0.084 31.925 32.600 -0.986 0.000 1.345 545 M HN -0.039 nan 8.290 nan 0.000 0.523 546 L N 1.545 122.751 121.223 -0.027 0.000 2.371 546 L HA 0.249 4.589 4.340 -0.000 0.000 0.272 546 L C 0.166 177.069 176.870 0.056 0.000 1.124 546 L CA -0.252 54.567 54.840 -0.036 0.000 0.816 546 L CB 0.456 42.388 42.059 -0.211 0.000 1.129 546 L HN 0.383 nan 8.230 nan 0.000 0.448 547 H N 0.218 119.225 119.070 -0.105 0.000 2.985 547 H HA 0.419 4.974 4.556 -0.000 0.000 0.360 547 H C -1.141 174.135 175.328 -0.086 0.000 1.221 547 H CA -1.319 54.715 56.048 -0.023 0.000 1.121 547 H CB 1.700 31.488 29.762 0.044 0.000 1.854 547 H HN 0.407 nan 8.280 nan 0.000 0.551 548 K N 1.808 122.132 120.400 -0.127 0.000 2.416 548 K HA 0.348 4.668 4.320 -0.000 0.000 0.283 548 K C -0.079 176.212 176.600 -0.515 0.000 1.037 548 K CA -0.050 56.098 56.287 -0.231 0.000 0.995 548 K CB 0.463 32.908 32.500 -0.092 0.000 0.938 548 K HN 0.647 nan 8.250 nan 0.000 0.475 549 A N 3.790 126.408 122.820 -0.336 0.000 2.483 549 A HA 0.277 4.597 4.320 -0.000 0.000 0.238 549 A C 0.671 178.137 177.584 -0.197 0.000 1.070 549 A CA 0.264 52.142 52.037 -0.266 0.000 0.770 549 A CB 0.252 19.198 19.000 -0.090 0.000 1.008 549 A HN 0.941 nan 8.150 nan 0.000 0.497 550 G N 0.007 108.737 108.800 -0.117 0.000 2.631 550 G HA2 0.333 4.293 3.960 -0.000 0.000 0.271 550 G HA3 0.333 4.293 3.960 -0.000 0.000 0.271 550 G C 1.294 176.199 174.900 0.008 0.000 1.302 550 G CA 0.367 45.447 45.100 -0.033 0.000 1.002 550 G HN 1.525 nan 8.290 nan 0.000 0.519 551 S N -1.030 114.683 115.700 0.021 0.000 2.419 551 S HA -0.209 4.261 4.470 -0.000 0.000 0.235 551 S C 2.376 177.016 174.600 0.067 0.000 1.019 551 S CA 1.817 60.036 58.200 0.031 0.000 0.982 551 S CB -0.603 62.611 63.200 0.023 0.000 0.789 551 S HN 1.034 nan 8.310 nan 0.000 0.490 552 S N 0.797 116.559 115.700 0.103 0.000 2.447 552 S HA 0.093 4.563 4.470 -0.000 0.000 0.233 552 S C 1.521 176.260 174.600 0.231 0.000 1.006 552 S CA 0.884 59.193 58.200 0.182 0.000 0.957 552 S CB -0.493 62.844 63.200 0.227 0.000 0.773 552 S HN 0.436 nan 8.310 nan 0.000 0.507 553 S N 0.538 116.338 115.700 0.166 0.000 2.650 553 S HA 0.599 5.069 4.470 -0.000 0.000 0.240 553 S C 0.888 175.509 174.600 0.034 0.000 1.007 553 S CA -0.018 58.282 58.200 0.167 0.000 0.984 553 S CB 0.242 63.553 63.200 0.185 0.000 0.910 553 S HN 1.071 nan 8.310 nan 0.000 0.509 554 G N 2.385 111.205 108.800 0.033 0.000 2.525 554 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 554 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 554 G C -0.807 174.063 174.900 -0.050 0.000 1.238 554 G CA -0.028 45.067 45.100 -0.008 0.000 0.926 554 G HN 0.407 nan 8.290 nan 0.000 0.574 555 D N 1.324 121.683 120.400 -0.068 0.000 2.477 555 D HA 0.590 5.229 4.640 -0.000 0.000 0.239 555 D C 0.532 176.767 176.300 -0.110 0.000 1.102 555 D CA -0.177 53.780 54.000 -0.072 0.000 0.901 555 D CB -0.333 40.441 40.800 -0.043 0.000 1.026 555 D HN 0.852 nan 8.370 nan 0.000 0.515 556 R N 1.538 121.955 120.500 -0.139 0.000 2.765 556 R HA 0.367 4.707 4.340 -0.000 0.000 0.277 556 R C -1.200 174.983 176.300 -0.195 0.000 1.028 556 R CA -0.967 55.024 56.100 -0.182 0.000 0.860 556 R CB 0.379 30.515 30.300 -0.274 0.000 1.270 556 R HN 0.058 nan 8.270 nan 0.000 0.484 557 L N 1.794 122.878 121.223 -0.232 0.000 2.380 557 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 557 L C 0.400 177.174 176.870 -0.160 0.000 1.138 557 L CA -0.054 54.633 54.840 -0.254 0.000 0.832 557 L CB 1.245 43.034 42.059 -0.451 0.000 1.124 557 L HN 0.938 nan 8.230 nan 0.000 0.454 558 T N -2.905 111.640 114.554 -0.015 0.000 2.910 558 T HA 0.291 4.641 4.350 -0.000 0.000 0.287 558 T C 0.757 175.527 174.700 0.117 0.000 1.050 558 T CA -0.149 61.993 62.100 0.069 0.000 1.011 558 T CB 1.641 70.603 68.868 0.157 0.000 1.195 558 T HN 0.618 nan 8.240 nan 0.000 0.540 559 T N -1.970 112.653 114.554 0.114 0.000 3.148 559 T HA 0.484 4.833 4.350 -0.000 0.000 0.253 559 T C 1.418 176.140 174.700 0.037 0.000 1.134 559 T CA 0.330 62.492 62.100 0.104 0.000 1.051 559 T CB -1.192 67.782 68.868 0.176 0.000 0.959 559 T HN 1.769 nan 8.240 nan 0.000 0.525 560 G N 1.528 110.322 108.800 -0.009 0.000 2.562 560 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.250 560 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.250 560 G C -0.227 174.726 174.900 0.089 0.000 1.269 560 G CA -0.591 44.423 45.100 -0.144 0.000 0.919 560 G HN 0.912 nan 8.290 nan 0.000 0.574 561 V N 0.902 120.856 119.914 0.068 0.000 2.699 561 V HA 0.278 4.398 4.120 -0.000 0.000 0.296 561 V C 1.175 177.479 176.094 0.350 0.000 1.030 561 V CA 1.627 64.010 62.300 0.140 0.000 1.219 561 V CB -0.851 30.973 31.823 0.001 0.000 0.848 561 V HN 2.176 nan 8.190 nan 0.000 0.468 562 A N 5.255 128.322 122.820 0.412 0.000 2.556 562 A HA 0.831 5.150 4.320 -0.000 0.000 0.294 562 A C -1.515 176.453 177.584 0.641 0.000 1.091 562 A CA -0.644 51.713 52.037 0.533 0.000 0.704 562 A CB 1.837 21.078 19.000 0.401 0.000 1.300 562 A HN 0.723 nan 8.150 nan 0.000 0.406 563 Y N 0.776 121.348 120.300 0.454 0.000 2.425 563 Y HA 0.636 5.185 4.550 -0.000 0.000 0.344 563 Y C 0.063 176.138 175.900 0.291 0.000 0.969 563 Y CA -0.925 57.399 58.100 0.375 0.000 1.052 563 Y CB 2.302 40.936 38.460 0.290 0.000 1.215 563 Y HN 0.616 nan 8.280 nan 0.000 0.451 564 S N 8.234 123.797 115.700 -0.228 0.000 2.399 564 S HA 0.450 4.920 4.470 -0.000 0.000 0.301 564 S C -2.759 171.379 174.600 -0.771 0.000 1.093 564 S CA -1.684 56.289 58.200 -0.378 0.000 1.077 564 S CB -0.025 63.002 63.200 -0.289 0.000 0.980 564 S HN 0.413 nan 8.310 nan 0.000 0.494 565 P HA 0.137 nan 4.420 nan 0.000 0.264 565 P C -1.020 175.957 177.300 -0.538 0.000 1.193 565 P CA 0.095 62.821 63.100 -0.624 0.000 0.763 565 P CB 0.611 32.028 31.700 -0.472 0.000 0.810 566 A N 3.757 126.367 122.820 -0.350 0.000 3.253 566 A HA 0.383 4.703 4.320 -0.000 0.000 0.290 566 A C 0.022 177.558 177.584 -0.080 0.000 0.950 566 A CA -0.241 51.680 52.037 -0.193 0.000 0.986 566 A CB -0.207 18.811 19.000 0.031 0.000 1.104 566 A HN 0.589 nan 8.150 nan 0.000 0.481 567 Q N -0.597 118.992 119.800 -0.352 0.000 2.565 567 Q HA 0.763 5.103 4.340 -0.000 0.000 0.294 567 Q C 0.223 176.302 176.000 0.131 0.000 1.005 567 Q CA -0.541 55.146 55.803 -0.194 0.000 0.771 567 Q CB 1.260 29.615 28.738 -0.638 0.000 1.486 567 Q HN 1.712 nan 8.270 nan 0.000 0.422 568 G N 0.202 109.085 108.800 0.138 0.000 2.725 568 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.220 568 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.220 568 G C -2.797 172.159 174.900 0.094 0.000 1.357 568 G CA -0.512 44.553 45.100 -0.059 0.000 0.866 568 G HN 0.658 nan 8.290 nan 0.000 0.548 569 P HA 0.483 nan 4.420 nan 0.000 0.271 569 P C 0.052 177.541 177.300 0.314 0.000 1.218 569 P CA -0.345 62.807 63.100 0.087 0.000 0.780 569 P CB 0.471 32.162 31.700 -0.016 0.000 0.901 570 L N 1.940 123.288 121.223 0.210 0.000 2.290 570 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 570 L C 1.264 178.207 176.870 0.123 0.000 1.078 570 L CA 0.107 55.068 54.840 0.201 0.000 0.815 570 L CB -0.082 41.947 42.059 -0.050 0.000 1.162 570 L HN 0.738 nan 8.230 nan 0.000 0.435 571 G N 1.269 110.208 108.800 0.231 0.000 2.370 571 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.268 571 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.268 571 G C 0.117 175.107 174.900 0.150 0.000 1.122 571 G CA 0.074 45.217 45.100 0.072 0.000 0.963 571 G HN 0.771 nan 8.290 nan 0.000 0.500 572 T N -2.559 112.162 114.554 0.278 0.000 2.810 572 T HA 0.540 4.890 4.350 -0.000 0.000 0.277 572 T C 0.232 175.097 174.700 0.276 0.000 0.973 572 T CA 0.008 62.291 62.100 0.304 0.000 0.949 572 T CB 1.888 70.999 68.868 0.405 0.000 1.075 572 T HN 0.083 nan 8.240 nan 0.000 0.537 573 D N 0.606 121.180 120.400 0.291 0.000 2.558 573 D HA 0.407 5.047 4.640 -0.000 0.000 0.221 573 D C 1.040 177.522 176.300 0.303 0.000 1.143 573 D CA 1.046 55.217 54.000 0.285 0.000 1.010 573 D CB -1.009 39.957 40.800 0.277 0.000 1.068 573 D HN 1.090 nan 8.370 nan 0.000 0.511 574 G N 2.439 111.407 108.800 0.280 0.000 2.855 574 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.352 574 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.352 574 G C -0.451 174.614 174.900 0.274 0.000 1.415 574 G CA -0.245 45.022 45.100 0.278 0.000 0.871 574 G HN 0.839 nan 8.290 nan 0.000 0.543 575 N N -3.756 115.067 118.700 0.205 0.000 3.227 575 N HA 0.531 5.271 4.740 -0.000 0.000 0.241 575 N C 0.617 176.031 175.510 -0.160 0.000 1.480 575 N CA 0.282 53.276 53.050 -0.093 0.000 0.886 575 N CB 0.217 38.655 38.487 -0.082 0.000 1.406 575 N HN 0.567 nan 8.380 nan 0.000 0.514 576 T N -0.665 113.596 114.554 -0.488 0.000 2.746 576 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 576 T C 1.245 175.865 174.700 -0.133 0.000 1.039 576 T CA 1.883 63.807 62.100 -0.294 0.000 1.142 576 T CB -0.661 67.976 68.868 -0.386 0.000 0.866 576 T HN 0.530 nan 8.240 nan 0.000 0.444 577 Y N 2.387 122.550 120.300 -0.229 0.000 2.040 577 Y HA -0.230 4.320 4.550 -0.000 0.000 0.275 577 Y C 2.204 178.020 175.900 -0.141 0.000 1.171 577 Y CA 1.670 59.657 58.100 -0.189 0.000 1.123 577 Y CB -0.536 37.825 38.460 -0.165 0.000 0.963 577 Y HN 0.270 nan 8.280 nan 0.000 0.493 578 E N -0.481 119.433 120.200 -0.477 0.000 2.072 578 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 578 E C 2.345 178.794 176.600 -0.251 0.000 0.982 578 E CA 1.245 57.348 56.400 -0.496 0.000 0.803 578 E CB -0.194 29.376 29.700 -0.216 0.000 0.755 578 E HN 0.439 nan 8.360 nan 0.000 0.453 579 S N 0.715 116.361 115.700 -0.090 0.000 2.402 579 S HA -0.081 4.388 4.470 -0.000 0.000 0.229 579 S C 2.155 176.727 174.600 -0.046 0.000 1.021 579 S CA 0.696 58.884 58.200 -0.021 0.000 0.974 579 S CB -0.019 63.245 63.200 0.106 0.000 0.800 579 S HN 0.125 nan 8.310 nan 0.000 0.484 580 S N 1.750 117.382 115.700 -0.114 0.000 2.368 580 S HA 0.048 4.518 4.470 -0.000 0.000 0.225 580 S C 1.772 176.308 174.600 -0.106 0.000 1.030 580 S CA 0.871 58.987 58.200 -0.139 0.000 0.999 580 S CB -0.348 62.725 63.200 -0.212 0.000 0.844 580 S HN 0.375 nan 8.310 nan 0.000 0.459 581 L N 0.863 121.947 121.223 -0.232 0.000 2.056 581 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 581 L C 2.313 179.053 176.870 -0.216 0.000 1.078 581 L CA 0.853 55.539 54.840 -0.257 0.000 0.749 581 L CB -0.606 41.226 42.059 -0.379 0.000 0.901 581 L HN 0.196 nan 8.230 nan 0.000 0.433 582 V N -1.279 118.481 119.914 -0.256 0.000 2.427 582 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 582 V C 2.059 178.058 176.094 -0.159 0.000 1.051 582 V CA 1.722 63.828 62.300 -0.323 0.000 1.048 582 V CB -0.605 31.003 31.823 -0.359 0.000 0.666 582 V HN 0.605 nan 8.190 nan 0.000 0.456 583 W N 0.883 122.048 121.300 -0.224 0.000 2.335 583 W HA -0.309 4.351 4.660 -0.000 0.000 0.311 583 W C 2.658 179.077 176.519 -0.168 0.000 1.213 583 W CA 2.258 59.503 57.345 -0.166 0.000 1.274 583 W CB -0.145 29.240 29.460 -0.124 0.000 1.148 583 W HN 0.186 nan 8.180 nan 0.000 0.498 584 Q N 0.314 120.260 119.800 0.243 0.000 2.084 584 Q HA -0.277 4.063 4.340 -0.000 0.000 0.202 584 Q C 2.388 178.260 176.000 -0.214 0.000 0.978 584 Q CA 2.645 58.489 55.803 0.068 0.000 0.844 584 Q CB -0.833 27.972 28.738 0.112 0.000 0.898 584 Q HN 0.503 nan 8.270 nan 0.000 0.426 585 M N -0.836 118.624 119.600 -0.234 0.000 2.080 585 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 585 M C 1.634 177.675 176.300 -0.431 0.000 1.068 585 M CA 1.549 56.657 55.300 -0.321 0.000 1.109 585 M CB -0.075 32.322 32.600 -0.340 0.000 1.342 585 M HN 0.343 nan 8.290 nan 0.000 0.405 586 L N 0.059 121.014 121.223 -0.446 0.000 2.056 586 L HA -0.246 4.094 4.340 -0.000 0.000 0.207 586 L C 2.548 179.141 176.870 -0.462 0.000 1.078 586 L CA 1.373 55.923 54.840 -0.483 0.000 0.749 586 L CB -1.321 40.510 42.059 -0.380 0.000 0.901 586 L HN 0.532 nan 8.230 nan 0.000 0.433 587 N N 0.545 118.890 118.700 -0.592 0.000 2.037 587 N HA -0.248 4.491 4.740 -0.000 0.000 0.196 587 N C 1.328 176.602 175.510 -0.394 0.000 1.034 587 N CA 2.318 55.019 53.050 -0.583 0.000 0.861 587 N CB -0.039 37.952 38.487 -0.827 0.000 1.039 587 N HN 0.311 nan 8.380 nan 0.000 0.427 588 D N 0.328 120.447 120.400 -0.468 0.000 2.162 588 D HA 0.034 4.673 4.640 -0.000 0.000 0.203 588 D C 1.895 177.861 176.300 -0.557 0.000 0.967 588 D CA 0.957 54.539 54.000 -0.697 0.000 0.840 588 D CB -0.496 39.690 40.800 -1.023 0.000 0.972 588 D HN 0.401 nan 8.370 nan 0.000 0.482 589 A N 0.780 123.336 122.820 -0.439 0.000 1.908 589 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 589 A C 2.311 179.946 177.584 0.084 0.000 1.181 589 A CA 0.969 52.819 52.037 -0.313 0.000 0.627 589 A CB -0.759 17.727 19.000 -0.857 0.000 0.818 589 A HN 0.191 nan 8.150 nan 0.000 0.445 590 I N -0.650 119.957 120.570 0.062 0.000 2.226 590 I HA -0.254 3.915 4.170 -0.000 0.000 0.245 590 I C 2.552 178.736 176.117 0.111 0.000 1.100 590 I CA 1.568 62.988 61.300 0.199 0.000 1.374 590 I CB -0.372 37.683 38.000 0.092 0.000 1.057 590 I HN 0.428 nan 8.210 nan 0.000 0.413 591 E N 0.747 120.968 120.200 0.034 0.000 2.051 591 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 591 E C 2.347 179.035 176.600 0.146 0.000 0.991 591 E CA 1.356 57.813 56.400 0.095 0.000 0.799 591 E CB -0.166 29.621 29.700 0.145 0.000 0.748 591 E HN 0.522 nan 8.360 nan 0.000 0.449 592 A N 1.367 124.277 122.820 0.150 0.000 1.877 592 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 592 A C 2.372 179.956 177.584 -0.001 0.000 1.186 592 A CA 1.726 53.849 52.037 0.143 0.000 0.620 592 A CB -0.648 18.513 19.000 0.267 0.000 0.822 592 A HN 0.305 nan 8.150 nan 0.000 0.443 593 A N -0.144 122.744 122.820 0.114 0.000 1.877 593 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 593 A C 2.107 179.625 177.584 -0.110 0.000 1.186 593 A CA 1.849 53.834 52.037 -0.086 0.000 0.620 593 A CB -0.493 18.653 19.000 0.243 0.000 0.822 593 A HN 0.536 nan 8.150 nan 0.000 0.443 594 K N -0.344 120.051 120.400 -0.009 0.000 2.074 594 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 594 K C 2.195 178.773 176.600 -0.036 0.000 1.048 594 K CA 1.293 57.569 56.287 -0.017 0.000 0.926 594 K CB -0.371 32.141 32.500 0.019 0.000 0.713 594 K HN 0.455 nan 8.250 nan 0.000 0.444 595 A N 1.336 124.143 122.820 -0.023 0.000 2.070 595 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 595 A C 1.562 179.090 177.584 -0.092 0.000 1.159 595 A CA 1.327 53.352 52.037 -0.020 0.000 0.656 595 A CB -0.040 18.973 19.000 0.023 0.000 0.800 595 A HN 0.094 nan 8.150 nan 0.000 0.453 596 K N -1.351 118.940 120.400 -0.181 0.000 2.374 596 K HA 0.199 4.519 4.320 -0.000 0.000 0.196 596 K C 0.956 177.456 176.600 -0.167 0.000 1.023 596 K CA 0.650 56.803 56.287 -0.224 0.000 1.103 596 K CB 0.141 32.378 32.500 -0.439 0.000 0.848 596 K HN 0.705 nan 8.250 nan 0.000 0.528 597 G N 2.903 111.630 108.800 -0.122 0.000 2.147 597 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 597 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 597 G C -0.074 174.766 174.900 -0.101 0.000 1.005 597 G CA 0.353 45.399 45.100 -0.090 0.000 0.713 597 G HN 0.390 nan 8.290 nan 0.000 0.515 598 D N -0.717 119.604 120.400 -0.132 0.000 2.755 598 D HA -0.164 4.476 4.640 -0.000 0.000 0.227 598 D C 0.261 176.496 176.300 -0.107 0.000 1.211 598 D CA 1.145 55.071 54.000 -0.125 0.000 0.663 598 D CB -0.050 40.694 40.800 -0.093 0.000 0.983 598 D HN 0.421 nan 8.370 nan 0.000 0.407 599 P HA -0.114 nan 4.420 nan 0.000 0.220 599 P C 0.675 177.951 177.300 -0.040 0.000 1.148 599 P CA 0.936 63.997 63.100 -0.065 0.000 0.803 599 P CB 0.274 31.940 31.700 -0.057 0.000 0.782 600 D N -1.074 119.308 120.400 -0.030 0.000 2.349 600 D HA 0.112 4.752 4.640 -0.000 0.000 0.214 600 D C 1.277 177.513 176.300 -0.108 0.000 1.063 600 D CA 0.647 54.627 54.000 -0.034 0.000 0.847 600 D CB -0.120 40.698 40.800 0.030 0.000 0.933 600 D HN 0.159 nan 8.370 nan 0.000 0.513 601 G N 1.777 110.498 108.800 -0.131 0.000 2.273 601 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.280 601 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.280 601 G C 0.835 175.583 174.900 -0.253 0.000 1.047 601 G CA 0.209 45.215 45.100 -0.157 0.000 0.869 601 G HN 0.385 nan 8.290 nan 0.000 0.502 602 L N -0.905 120.073 121.223 -0.407 0.000 2.513 602 L HA 0.116 4.456 4.340 -0.000 0.000 0.222 602 L C 2.664 179.081 176.870 -0.755 0.000 1.096 602 L CA 0.208 54.584 54.840 -0.774 0.000 0.857 602 L CB 0.056 41.283 42.059 -1.387 0.000 1.026 602 L HN 0.237 nan 8.230 nan 0.000 0.469 603 V N 0.284 119.967 119.914 -0.386 0.000 2.295 603 V HA -0.087 4.033 4.120 -0.000 0.000 0.246 603 V C 1.825 177.869 176.094 -0.084 0.000 1.049 603 V CA 1.543 63.771 62.300 -0.119 0.000 1.024 603 V CB -1.173 30.633 31.823 -0.029 0.000 0.648 603 V HN 0.646 nan 8.190 nan 0.000 0.447 604 G N 1.195 109.926 108.800 -0.116 0.000 2.582 604 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.288 604 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.288 604 G C -0.142 174.737 174.900 -0.036 0.000 1.247 604 G CA 0.700 45.751 45.100 -0.081 0.000 0.972 604 G HN 1.083 nan 8.290 nan 0.000 0.557 605 N N -3.599 115.089 118.700 -0.020 0.000 3.364 605 N HA 0.572 5.311 4.740 -0.000 0.000 0.294 605 N C 0.191 175.708 175.510 0.012 0.000 1.562 605 N CA 0.487 53.535 53.050 -0.004 0.000 0.862 605 N CB 0.543 39.022 38.487 -0.015 0.000 1.691 605 N HN 1.180 nan 8.380 nan 0.000 0.572 606 T N -3.765 110.798 114.554 0.015 0.000 3.214 606 T HA 0.299 4.648 4.350 -0.000 0.000 0.264 606 T C -0.353 174.357 174.700 0.016 0.000 1.012 606 T CA -0.264 61.851 62.100 0.026 0.000 0.901 606 T CB -1.068 67.818 68.868 0.030 0.000 1.070 606 T HN 0.466 nan 8.240 nan 0.000 0.561 607 T N 3.471 118.027 114.554 0.002 0.000 2.794 607 T HA 0.228 4.578 4.350 -0.000 0.000 0.296 607 T C -0.057 174.638 174.700 -0.008 0.000 0.949 607 T CA -0.207 61.890 62.100 -0.005 0.000 1.101 607 T CB 0.323 69.183 68.868 -0.015 0.000 0.905 607 T HN 0.370 nan 8.240 nan 0.000 0.516 608 D N 0.523 120.920 120.400 -0.004 0.000 2.689 608 D HA -0.158 4.482 4.640 -0.000 0.000 0.237 608 D C -0.062 176.241 176.300 0.004 0.000 1.148 608 D CA 0.367 54.364 54.000 -0.006 0.000 0.656 608 D CB -1.296 39.491 40.800 -0.022 0.000 1.050 608 D HN 0.569 nan 8.370 nan 0.000 0.426 609 c N 1.215 119.832 118.600 0.029 0.000 2.281 609 c HA 0.688 5.258 4.570 -0.000 0.000 0.325 609 c C 0.253 174.398 174.090 0.092 0.000 1.282 609 c CA -0.044 56.327 56.329 0.070 0.000 1.640 609 c CB 0.712 43.267 42.510 0.076 0.000 2.288 609 c HN 0.409 nan 8.230 nan 0.000 0.507 610 S N 3.587 119.375 115.700 0.146 0.000 2.537 610 S HA 0.632 5.101 4.470 -0.000 0.000 0.270 610 S C 0.585 175.332 174.600 0.245 0.000 1.142 610 S CA 0.185 58.467 58.200 0.137 0.000 0.870 610 S CB 1.605 64.855 63.200 0.083 0.000 1.112 610 S HN 1.456 nan 8.310 nan 0.000 0.466 611 A N 2.388 125.294 122.820 0.143 0.000 2.024 611 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 611 A C 1.399 179.130 177.584 0.245 0.000 1.164 611 A CA 2.053 54.172 52.037 0.137 0.000 0.643 611 A CB -0.797 18.190 19.000 -0.022 0.000 0.806 611 A HN 0.853 nan 8.150 nan 0.000 0.451 612 D N 0.471 120.971 120.400 0.167 0.000 2.263 612 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 612 D C 1.198 177.597 176.300 0.165 0.000 0.971 612 D CA 0.953 55.037 54.000 0.140 0.000 0.867 612 D CB -0.410 40.436 40.800 0.076 0.000 0.929 612 D HN 0.385 nan 8.370 nan 0.000 0.492 613 N N -0.299 118.514 118.700 0.187 0.000 2.443 613 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 613 N C 1.105 176.531 175.510 -0.140 0.000 1.037 613 N CA 0.423 53.455 53.050 -0.030 0.000 0.896 613 N CB -0.186 38.184 38.487 -0.195 0.000 0.959 613 N HN 0.445 nan 8.380 nan 0.000 0.442 614 W N 1.190 122.511 121.300 0.036 0.000 3.353 614 W HA 0.369 5.029 4.660 -0.000 0.000 0.304 614 W C 0.228 176.949 176.519 0.335 0.000 1.273 614 W CA -0.779 56.701 57.345 0.224 0.000 1.773 614 W CB -0.042 29.534 29.460 0.193 0.000 1.095 614 W HN -0.085 nan 8.180 nan 0.000 0.676 615 A N 2.102 125.130 122.820 0.347 0.000 2.546 615 A HA 0.126 4.446 4.320 -0.000 0.000 0.243 615 A C 0.185 177.894 177.584 0.208 0.000 1.063 615 A CA 0.772 52.945 52.037 0.226 0.000 0.757 615 A CB 0.102 19.184 19.000 0.136 0.000 0.991 615 A HN 0.220 nan 8.150 nan 0.000 0.503 616 K N 1.636 122.087 120.400 0.084 0.000 2.328 616 K HA 0.340 4.660 4.320 -0.000 0.000 0.246 616 K C -0.222 176.362 176.600 -0.026 0.000 0.955 616 K CA -0.950 55.306 56.287 -0.052 0.000 0.817 616 K CB 1.511 33.894 32.500 -0.194 0.000 1.208 616 K HN 0.884 nan 8.250 nan 0.000 0.432 617 N N -0.197 118.476 118.700 -0.046 0.000 2.418 617 N HA 0.053 4.793 4.740 -0.000 0.000 0.283 617 N C -0.007 175.482 175.510 -0.035 0.000 1.267 617 N CA -0.185 52.849 53.050 -0.027 0.000 0.975 617 N CB 0.283 38.758 38.487 -0.020 0.000 1.167 617 N HN 0.396 nan 8.380 nan 0.000 0.581 618 D N -1.215 119.172 120.400 -0.021 0.000 2.371 618 D HA -0.007 4.633 4.640 -0.000 0.000 0.221 618 D C 0.500 176.786 176.300 -0.022 0.000 0.986 618 D CA 0.673 54.663 54.000 -0.018 0.000 0.899 618 D CB -0.183 40.611 40.800 -0.009 0.000 0.902 618 D HN 0.487 nan 8.370 nan 0.000 0.530 619 S N -0.700 114.982 115.700 -0.030 0.000 2.558 619 S HA 0.225 4.695 4.470 -0.000 0.000 0.217 619 S C 1.705 176.276 174.600 -0.048 0.000 0.975 619 S CA 0.481 58.664 58.200 -0.029 0.000 0.912 619 S CB 0.748 63.934 63.200 -0.023 0.000 0.776 619 S HN 0.430 nan 8.310 nan 0.000 0.526 620 G N 2.073 110.821 108.800 -0.085 0.000 2.159 620 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.256 620 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.256 620 G C -0.211 174.511 174.900 -0.296 0.000 0.977 620 G CA -0.345 44.660 45.100 -0.158 0.000 0.652 620 G HN 0.446 nan 8.290 nan 0.000 0.531 621 N N 0.046 118.618 118.700 -0.214 0.000 2.524 621 N HA 0.543 5.283 4.740 -0.000 0.000 0.283 621 N C 0.079 175.441 175.510 -0.247 0.000 1.142 621 N CA -0.288 52.629 53.050 -0.222 0.000 0.984 621 N CB 0.359 38.800 38.487 -0.077 0.000 1.155 621 N HN 0.044 nan 8.380 nan 0.000 0.467 622 F N 0.278 120.176 119.950 -0.085 0.000 2.495 622 F HA 0.047 4.574 4.527 -0.000 0.000 0.365 622 F C 2.169 177.925 175.800 -0.072 0.000 1.090 622 F CA -0.210 57.732 58.000 -0.098 0.000 1.235 622 F CB 0.362 39.262 39.000 -0.167 0.000 1.119 622 F HN 0.481 nan 8.300 nan 0.000 0.562 623 T N -2.787 111.848 114.554 0.135 0.000 3.054 623 T HA -0.039 4.311 4.350 -0.000 0.000 0.259 623 T C 0.573 175.299 174.700 0.043 0.000 1.092 623 T CA 0.427 62.565 62.100 0.063 0.000 1.121 623 T CB -0.083 68.813 68.868 0.046 0.000 0.912 623 T HN 0.405 nan 8.240 nan 0.000 0.489 624 D N 1.161 121.584 120.400 0.039 0.000 2.622 624 D HA 0.620 5.260 4.640 -0.000 0.000 0.262 624 D C 1.299 177.562 176.300 -0.062 0.000 1.189 624 D CA -0.274 53.714 54.000 -0.020 0.000 0.985 624 D CB 0.592 41.367 40.800 -0.042 0.000 0.994 624 D HN 0.245 nan 8.370 nan 0.000 0.513 625 A N 3.002 125.806 122.820 -0.027 0.000 1.940 625 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 625 A C 1.602 179.111 177.584 -0.125 0.000 1.176 625 A CA 1.306 53.319 52.037 -0.040 0.000 0.631 625 A CB -0.302 18.697 19.000 -0.002 0.000 0.814 625 A HN 0.568 nan 8.150 nan 0.000 0.446 626 N N -0.437 118.195 118.700 -0.113 0.000 2.270 626 N HA 0.401 5.141 4.740 -0.000 0.000 0.198 626 N C 0.363 175.775 175.510 -0.162 0.000 1.117 626 N CA 0.092 53.066 53.050 -0.126 0.000 0.845 626 N CB 0.228 38.665 38.487 -0.083 0.000 0.980 626 N HN 0.502 nan 8.380 nan 0.000 0.486 627 A N 1.046 123.742 122.820 -0.207 0.000 2.406 627 A HA 0.068 4.388 4.320 -0.000 0.000 0.243 627 A C 0.402 177.806 177.584 -0.301 0.000 1.082 627 A CA -0.247 51.653 52.037 -0.228 0.000 0.786 627 A CB 0.160 19.015 19.000 -0.241 0.000 1.029 627 A HN 0.227 nan 8.150 nan 0.000 0.495 628 N N 0.344 118.902 118.700 -0.237 0.000 2.416 628 N HA 0.093 4.833 4.740 -0.000 0.000 0.265 628 N C 0.014 175.302 175.510 -0.371 0.000 1.195 628 N CA 0.392 53.307 53.050 -0.225 0.000 0.943 628 N CB -0.004 38.419 38.487 -0.107 0.000 1.115 628 N HN 0.535 nan 8.380 nan 0.000 0.481 629 R N 1.268 121.492 120.500 -0.460 0.000 2.727 629 R HA 0.121 4.460 4.340 -0.000 0.000 0.410 629 R C 0.120 176.350 176.300 -0.118 0.000 1.101 629 R CA -0.398 55.332 56.100 -0.616 0.000 1.045 629 R CB 0.153 29.724 30.300 -1.216 0.000 1.380 629 R HN 0.595 nan 8.270 nan 0.000 0.587 630 S N -0.953 114.721 115.700 -0.044 0.000 2.596 630 S HA 0.046 4.516 4.470 -0.000 0.000 0.260 630 S C 0.985 175.712 174.600 0.211 0.000 1.336 630 S CA -0.637 57.556 58.200 -0.012 0.000 0.993 630 S CB 0.673 63.838 63.200 -0.058 0.000 0.923 630 S HN 0.268 nan 8.310 nan 0.000 0.567 631 W N 0.884 122.203 121.300 0.032 0.000 2.342 631 W HA -0.032 4.628 4.660 -0.000 0.000 0.297 631 W C 2.808 179.322 176.519 -0.009 0.000 1.213 631 W CA 0.657 58.013 57.345 0.018 0.000 1.251 631 W CB -2.033 27.423 29.460 -0.006 0.000 1.136 631 W HN 0.700 nan 8.180 nan 0.000 0.526 632 S N -0.466 115.352 115.700 0.197 0.000 2.368 632 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 632 S C 1.995 176.650 174.600 0.093 0.000 1.029 632 S CA 1.482 59.739 58.200 0.095 0.000 0.988 632 S CB -0.894 62.339 63.200 0.055 0.000 0.838 632 S HN 0.384 nan 8.310 nan 0.000 0.462 633 c N 1.978 120.657 118.600 0.131 0.000 2.462 633 c HA 0.080 4.650 4.570 -0.000 0.000 0.278 633 c C 2.949 177.154 174.090 0.191 0.000 1.253 633 c CA 0.878 57.303 56.329 0.161 0.000 1.713 633 c CB -1.479 41.146 42.510 0.192 0.000 2.049 633 c HN 0.562 nan 8.230 nan 0.000 0.477 634 A N 0.442 123.426 122.820 0.274 0.000 1.883 634 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 634 A C 2.336 179.909 177.584 -0.019 0.000 1.186 634 A CA 2.164 54.265 52.037 0.107 0.000 0.624 634 A CB -0.889 18.265 19.000 0.256 0.000 0.822 634 A HN 0.780 nan 8.150 nan 0.000 0.444 635 K N 0.287 120.688 120.400 0.002 0.000 2.063 635 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 635 K C 2.243 178.861 176.600 0.029 0.000 1.048 635 K CA 1.956 58.204 56.287 -0.066 0.000 0.928 635 K CB -0.245 32.144 32.500 -0.184 0.000 0.713 635 K HN 0.616 nan 8.250 nan 0.000 0.442 636 S N 0.307 116.030 115.700 0.039 0.000 2.469 636 S HA -0.087 4.383 4.470 -0.000 0.000 0.238 636 S C 1.731 176.355 174.600 0.039 0.000 0.998 636 S CA 0.824 59.063 58.200 0.065 0.000 0.957 636 S CB -0.234 62.999 63.200 0.055 0.000 0.764 636 S HN 0.360 nan 8.310 nan 0.000 0.514 637 L N 0.068 121.284 121.223 -0.011 0.000 2.585 637 L HA 0.334 4.673 4.340 -0.000 0.000 0.226 637 L C 2.038 178.843 176.870 -0.108 0.000 1.113 637 L CA 0.033 54.829 54.840 -0.073 0.000 0.876 637 L CB -0.230 41.741 42.059 -0.147 0.000 1.072 637 L HN 0.278 nan 8.230 nan 0.000 0.468 638 L N -0.061 121.128 121.223 -0.057 0.000 2.072 638 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 638 L C 0.754 177.554 176.870 -0.116 0.000 1.079 638 L CA 0.632 55.429 54.840 -0.071 0.000 0.752 638 L CB -0.331 41.756 42.059 0.048 0.000 0.906 638 L HN 0.191 nan 8.230 nan 0.000 0.436 639 K N -0.901 119.475 120.400 -0.040 0.000 3.490 639 K HA -0.186 4.133 4.320 -0.000 0.000 0.273 639 K C -1.834 174.701 176.600 -0.108 0.000 0.916 639 K CA 0.219 56.465 56.287 -0.068 0.000 0.718 639 K CB -1.009 31.433 32.500 -0.097 0.000 1.477 639 K HN 0.301 nan 8.250 nan 0.000 0.452 640 P HA -0.114 nan 4.420 nan 0.000 0.218 640 P C 0.449 177.730 177.300 -0.032 0.000 1.149 640 P CA 1.029 64.103 63.100 -0.043 0.000 0.817 640 P CB 0.144 31.737 31.700 -0.179 0.000 0.785 641 I N 0.630 121.078 120.570 -0.204 0.000 2.321 641 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 641 I C 0.266 176.248 176.117 -0.225 0.000 0.998 641 I CA -1.020 60.062 61.300 -0.363 0.000 1.227 641 I CB 0.984 38.428 38.000 -0.928 0.000 1.368 641 I HN -0.050 nan 8.210 nan 0.000 0.466 642 E N 5.129 125.250 120.200 -0.132 0.000 2.224 642 E HA 0.454 4.804 4.350 -0.000 0.000 0.265 642 E C -1.387 175.165 176.600 -0.081 0.000 0.878 642 E CA -0.570 55.803 56.400 -0.045 0.000 0.759 642 E CB 2.338 32.080 29.700 0.071 0.000 1.164 642 E HN 0.322 nan 8.360 nan 0.000 0.414 643 V N 3.694 123.580 119.914 -0.048 0.000 2.488 643 V HA 0.392 4.512 4.120 -0.000 0.000 0.277 643 V C 0.947 177.038 176.094 -0.006 0.000 1.046 643 V CA 0.015 62.296 62.300 -0.031 0.000 0.986 643 V CB 1.117 32.947 31.823 0.012 0.000 0.989 643 V HN 0.768 nan 8.190 nan 0.000 0.475 644 G N 2.351 111.144 108.800 -0.012 0.000 2.532 644 G HA2 0.244 4.204 3.960 -0.000 0.000 0.291 644 G HA3 0.244 4.204 3.960 -0.000 0.000 0.291 644 G C 0.388 175.292 174.900 0.006 0.000 1.349 644 G CA -0.356 44.741 45.100 -0.005 0.000 1.038 644 G HN 0.673 nan 8.290 nan 0.000 0.518 645 D N -0.407 119.996 120.400 0.005 0.000 2.348 645 D HA -0.042 4.598 4.640 -0.000 0.000 0.216 645 D C 1.934 178.247 176.300 0.021 0.000 0.970 645 D CA 0.826 54.834 54.000 0.013 0.000 0.889 645 D CB 0.289 41.095 40.800 0.010 0.000 0.912 645 D HN 0.193 nan 8.370 nan 0.000 0.524 646 S N -0.669 115.041 115.700 0.017 0.000 2.577 646 S HA 0.298 4.768 4.470 -0.000 0.000 0.219 646 S C 1.521 176.178 174.600 0.094 0.000 0.962 646 S CA 0.297 58.529 58.200 0.053 0.000 0.921 646 S CB 0.975 64.181 63.200 0.009 0.000 0.789 646 S HN 0.400 nan 8.310 nan 0.000 0.497 647 G N 2.528 111.364 108.800 0.060 0.000 2.143 647 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.248 647 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.248 647 G C -0.038 174.900 174.900 0.063 0.000 0.991 647 G CA 0.233 45.370 45.100 0.062 0.000 0.689 647 G HN 0.570 nan 8.290 nan 0.000 0.522 648 Q N 0.440 120.270 119.800 0.049 0.000 2.215 648 Q HA 0.645 4.985 4.340 -0.000 0.000 0.256 648 Q C 0.189 176.184 176.000 -0.009 0.000 0.972 648 Q CA -1.148 54.682 55.803 0.044 0.000 0.889 648 Q CB 1.301 30.058 28.738 0.032 0.000 1.281 648 Q HN 0.273 nan 8.270 nan 0.000 0.456 649 I N 2.105 122.663 120.570 -0.020 0.000 2.517 649 I HA 0.097 4.267 4.170 -0.000 0.000 0.285 649 I C 0.769 176.877 176.117 -0.014 0.000 1.106 649 I CA 0.025 61.284 61.300 -0.069 0.000 1.402 649 I CB -0.121 37.799 38.000 -0.133 0.000 1.399 649 I HN 0.514 nan 8.210 nan 0.000 0.535 650 K N 5.194 125.531 120.400 -0.105 0.000 2.448 650 K HA -0.035 4.285 4.320 -0.000 0.000 0.278 650 K C 1.005 177.398 176.600 -0.344 0.000 1.009 650 K CA 0.079 56.252 56.287 -0.190 0.000 0.995 650 K CB 1.116 33.507 32.500 -0.182 0.000 0.917 650 K HN 0.555 nan 8.250 nan 0.000 0.481 651 E N 3.172 123.003 120.200 -0.616 0.000 2.276 651 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 651 E C -0.483 175.308 176.600 -1.349 0.000 0.983 651 E CA 0.311 56.030 56.400 -1.135 0.000 0.861 651 E CB 0.480 29.086 29.700 -1.823 0.000 0.817 651 E HN 0.424 nan 8.360 nan 0.000 0.485 652 W N -0.453 120.476 121.300 -0.618 0.000 2.844 652 W HA 0.224 4.883 4.660 -0.000 0.000 0.340 652 W C -0.217 175.798 176.519 -0.840 0.000 1.093 652 W CA -0.869 55.944 57.345 -0.886 0.000 1.212 652 W CB 0.389 29.062 29.460 -1.312 0.000 1.422 652 W HN 0.020 nan 8.180 nan 0.000 0.515 653 Y N 0.731 120.886 120.300 -0.242 0.000 2.571 653 Y HA -0.156 4.394 4.550 -0.000 0.000 0.294 653 Y C 1.959 177.839 175.900 -0.033 0.000 1.141 653 Y CA 0.727 58.757 58.100 -0.117 0.000 1.308 653 Y CB -0.634 37.793 38.460 -0.055 0.000 1.002 653 Y HN 0.234 nan 8.280 nan 0.000 0.551 654 F N -0.404 119.665 119.950 0.199 0.000 2.765 654 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 654 F C 0.567 176.406 175.800 0.064 0.000 1.111 654 F CA -1.235 56.830 58.000 0.107 0.000 1.359 654 F CB -1.038 37.999 39.000 0.060 0.000 1.097 654 F HN -0.081 nan 8.300 nan 0.000 0.577 655 E N 0.767 121.103 120.200 0.227 0.000 2.366 655 E HA 0.448 4.798 4.350 -0.000 0.000 0.266 655 E C 0.686 177.347 176.600 0.102 0.000 1.051 655 E CA 0.207 56.722 56.400 0.191 0.000 0.884 655 E CB 0.960 30.712 29.700 0.087 0.000 1.006 655 E HN 0.325 nan 8.360 nan 0.000 0.417 656 G N 2.905 111.743 108.800 0.062 0.000 2.727 656 G HA2 0.444 4.404 3.960 -0.000 0.000 0.212 656 G HA3 0.444 4.404 3.960 -0.000 0.000 0.212 656 G C -0.106 174.789 174.900 -0.009 0.000 2.076 656 G CA 0.279 45.395 45.100 0.026 0.000 0.744 656 G HN 0.733 nan 8.290 nan 0.000 0.775 657 A N -0.369 122.436 122.820 -0.025 0.000 2.366 657 A HA 0.523 4.842 4.320 -0.000 0.000 0.250 657 A C 0.117 177.632 177.584 -0.114 0.000 1.099 657 A CA -0.343 51.663 52.037 -0.052 0.000 0.794 657 A CB 0.122 19.099 19.000 -0.040 0.000 1.056 657 A HN 0.889 nan 8.150 nan 0.000 0.499 658 L N 1.092 122.213 121.223 -0.171 0.000 2.559 658 L HA 0.416 4.756 4.340 -0.000 0.000 0.274 658 L C 1.340 177.967 176.870 -0.405 0.000 1.205 658 L CA 2.037 56.705 54.840 -0.287 0.000 0.907 658 L CB -0.067 41.742 42.059 -0.417 0.000 1.153 658 L HN 1.597 nan 8.230 nan 0.000 0.490 659 G N 2.710 111.075 108.800 -0.724 0.000 2.162 659 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 659 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 659 G C 0.349 174.968 174.900 -0.469 0.000 0.976 659 G CA 0.566 44.932 45.100 -1.223 0.000 0.655 659 G HN 0.637 nan 8.290 nan 0.000 0.533 660 K N -0.306 119.945 120.400 -0.250 0.000 2.443 660 K HA 0.557 4.877 4.320 -0.000 0.000 0.251 660 K C 0.167 176.753 176.600 -0.024 0.000 0.972 660 K CA -1.015 55.203 56.287 -0.114 0.000 0.833 660 K CB 1.855 34.304 32.500 -0.083 0.000 1.317 660 K HN 0.135 nan 8.250 nan 0.000 0.441 661 K N 1.067 121.459 120.400 -0.015 0.000 2.127 661 K HA 0.213 4.532 4.320 -0.000 0.000 0.240 661 K C 0.715 177.339 176.600 0.039 0.000 1.024 661 K CA -0.467 55.848 56.287 0.048 0.000 0.918 661 K CB 0.579 33.044 32.500 -0.058 0.000 1.108 661 K HN 0.379 nan 8.250 nan 0.000 0.485 662 K N 1.044 121.484 120.400 0.067 0.000 2.103 662 K HA -0.181 4.138 4.320 -0.000 0.000 0.207 662 K C 1.235 177.847 176.600 0.019 0.000 1.048 662 K CA 1.962 58.278 56.287 0.047 0.000 0.930 662 K CB -0.150 32.388 32.500 0.063 0.000 0.716 662 K HN 0.623 nan 8.250 nan 0.000 0.444 663 D N -0.875 119.528 120.400 0.005 0.000 2.363 663 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 663 D C 1.098 177.391 176.300 -0.013 0.000 1.020 663 D CA 0.909 54.905 54.000 -0.006 0.000 0.892 663 D CB 0.186 40.976 40.800 -0.016 0.000 0.900 663 D HN 0.304 nan 8.370 nan 0.000 0.531 664 G N -0.080 108.711 108.800 -0.015 0.000 2.195 664 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.246 664 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.246 664 G C 0.429 175.312 174.900 -0.029 0.000 0.984 664 G CA 0.359 45.448 45.100 -0.018 0.000 0.633 664 G HN 0.851 nan 8.290 nan 0.000 0.525 665 S N 0.556 116.232 115.700 -0.041 0.000 2.593 665 S HA 0.584 5.054 4.470 -0.000 0.000 0.269 665 S C 0.659 175.219 174.600 -0.067 0.000 1.334 665 S CA 0.709 58.877 58.200 -0.053 0.000 1.015 665 S CB 1.255 64.414 63.200 -0.069 0.000 0.912 665 S HN 1.652 nan 8.310 nan 0.000 0.541 666 T N -0.244 114.273 114.554 -0.061 0.000 2.913 666 T HA 0.472 4.822 4.350 -0.000 0.000 0.297 666 T C 0.168 174.807 174.700 -0.103 0.000 1.029 666 T CA -0.842 61.221 62.100 -0.063 0.000 1.104 666 T CB -0.141 68.717 68.868 -0.016 0.000 0.964 666 T HN 0.570 nan 8.240 nan 0.000 0.532 667 I N 2.736 123.235 120.570 -0.119 0.000 2.416 667 I HA 0.166 4.336 4.170 -0.000 0.000 0.288 667 I C 1.102 177.158 176.117 -0.102 0.000 1.051 667 I CA -0.310 60.886 61.300 -0.173 0.000 1.375 667 I CB 1.170 39.031 38.000 -0.231 0.000 1.407 667 I HN 0.747 nan 8.210 nan 0.000 0.516 668 S N 4.639 120.251 115.700 -0.146 0.000 2.562 668 S HA 0.345 4.815 4.470 -0.000 0.000 0.281 668 S C 1.187 175.755 174.600 -0.054 0.000 1.333 668 S CA 0.466 58.620 58.200 -0.078 0.000 1.052 668 S CB 0.582 63.729 63.200 -0.088 0.000 0.884 668 S HN 1.058 nan 8.310 nan 0.000 0.506 669 G N 2.871 111.678 108.800 0.012 0.000 2.184 669 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.264 669 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.264 669 G C -0.015 174.917 174.900 0.053 0.000 0.975 669 G CA 0.643 45.769 45.100 0.044 0.000 0.642 669 G HN 0.993 nan 8.290 nan 0.000 0.536 670 Y N 1.768 122.032 120.300 -0.060 0.000 2.465 670 Y HA 0.474 5.024 4.550 -0.000 0.000 0.331 670 Y C 0.815 176.742 175.900 0.045 0.000 1.102 670 Y CA -0.060 58.041 58.100 0.001 0.000 1.358 670 Y CB 0.677 39.133 38.460 -0.006 0.000 1.213 670 Y HN 0.316 nan 8.280 nan 0.000 0.525 671 Q N 5.591 125.085 119.800 -0.509 0.000 2.300 671 Q HA 0.258 4.597 4.340 -0.000 0.000 0.262 671 Q C 0.542 176.286 176.000 -0.428 0.000 1.109 671 Q CA 0.228 55.835 55.803 -0.328 0.000 0.905 671 Q CB 0.785 29.433 28.738 -0.150 0.000 1.280 671 Q HN 0.989 nan 8.270 nan 0.000 0.426 672 A N 3.864 126.648 122.820 -0.061 0.000 2.119 672 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 672 A C 1.202 178.866 177.584 0.133 0.000 1.153 672 A CA 1.246 53.368 52.037 0.141 0.000 0.692 672 A CB -0.116 18.978 19.000 0.157 0.000 0.799 672 A HN 0.939 nan 8.150 nan 0.000 0.458 673 D N -1.313 119.126 120.400 0.066 0.000 2.378 673 D HA -0.088 4.552 4.640 -0.000 0.000 0.227 673 D C 0.469 176.847 176.300 0.129 0.000 1.012 673 D CA 0.744 54.804 54.000 0.099 0.000 0.905 673 D CB -0.997 39.851 40.800 0.080 0.000 0.895 673 D HN 0.595 nan 8.370 nan 0.000 0.532 674 N N -1.326 117.421 118.700 0.078 0.000 2.965 674 N HA -0.215 4.525 4.740 -0.000 0.000 0.232 674 N C -0.251 175.349 175.510 0.151 0.000 0.913 674 N CA 0.920 54.059 53.050 0.148 0.000 0.981 674 N CB -1.182 37.489 38.487 0.306 0.000 1.077 674 N HN 0.309 nan 8.380 nan 0.000 0.589 675 Q N 0.337 120.199 119.800 0.104 0.000 2.225 675 Q HA 0.108 4.447 4.340 -0.000 0.000 0.259 675 Q C -0.336 175.726 176.000 0.104 0.000 0.872 675 Q CA -0.377 55.498 55.803 0.122 0.000 1.042 675 Q CB 0.227 29.024 28.738 0.099 0.000 1.142 675 Q HN 0.397 nan 8.270 nan 0.000 0.463 676 H N 1.208 120.286 119.070 0.014 0.000 3.115 676 H HA -0.083 4.473 4.556 -0.000 0.000 0.324 676 H C 1.282 176.687 175.328 0.129 0.000 1.007 676 H CA 0.962 57.047 56.048 0.061 0.000 1.385 676 H CB 0.577 30.365 29.762 0.044 0.000 1.351 676 H HN 0.138 nan 8.280 nan 0.000 0.592 677 R N 3.303 123.488 120.500 -0.525 0.000 2.096 677 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 677 R C 0.226 176.411 176.300 -0.190 0.000 1.127 677 R CA 0.830 56.728 56.100 -0.337 0.000 0.968 677 R CB -0.017 30.093 30.300 -0.317 0.000 0.861 677 R HN 0.722 nan 8.270 nan 0.000 0.440 678 H N -0.277 118.679 119.070 -0.190 0.000 2.551 678 H HA 0.130 4.686 4.556 -0.000 0.000 0.358 678 H C -0.047 175.457 175.328 0.294 0.000 1.151 678 H CA 0.262 56.480 56.048 0.282 0.000 1.374 678 H CB 1.141 31.108 29.762 0.343 0.000 1.473 678 H HN 0.126 nan 8.280 nan 0.000 0.574 679 M N 1.834 121.675 119.600 0.401 0.000 2.952 679 M HA 0.119 4.599 4.480 -0.000 0.000 0.259 679 M C 0.671 177.104 176.300 0.222 0.000 1.306 679 M CA -0.166 55.320 55.300 0.310 0.000 0.626 679 M CB 0.979 33.680 32.600 0.169 0.000 1.423 679 M HN 0.387 nan 8.290 nan 0.000 0.459 680 S N 0.011 115.844 115.700 0.223 0.000 2.447 680 S HA -0.106 4.364 4.470 -0.000 0.000 0.233 680 S C 1.715 176.360 174.600 0.075 0.000 1.006 680 S CA 1.141 59.366 58.200 0.041 0.000 0.957 680 S CB -0.333 62.705 63.200 -0.270 0.000 0.773 680 S HN 0.687 nan 8.310 nan 0.000 0.507 681 H N 0.388 119.373 119.070 -0.142 0.000 2.547 681 H HA 0.255 4.810 4.556 -0.000 0.000 0.266 681 H C 1.035 176.259 175.328 -0.174 0.000 0.988 681 H CA 0.176 56.101 56.048 -0.205 0.000 1.147 681 H CB -0.474 29.079 29.762 -0.348 0.000 1.365 681 H HN 0.357 nan 8.280 nan 0.000 0.589 682 L N 1.017 121.988 121.223 -0.419 0.000 2.769 682 L HA 0.186 4.526 4.340 -0.000 0.000 0.240 682 L C 1.747 178.499 176.870 -0.196 0.000 1.163 682 L CA -0.115 54.506 54.840 -0.365 0.000 0.962 682 L CB 0.155 41.985 42.059 -0.383 0.000 1.258 682 L HN 0.109 nan 8.230 nan 0.000 0.513 683 L N 0.094 121.206 121.223 -0.185 0.000 2.261 683 L HA -0.106 4.234 4.340 -0.000 0.000 0.216 683 L C 2.470 179.205 176.870 -0.226 0.000 1.114 683 L CA 1.280 55.986 54.840 -0.223 0.000 0.777 683 L CB -0.819 40.980 42.059 -0.433 0.000 0.910 683 L HN 0.402 nan 8.230 nan 0.000 0.440 684 G N 0.233 108.898 108.800 -0.224 0.000 2.448 684 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.218 684 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.218 684 G C 1.568 176.368 174.900 -0.166 0.000 1.135 684 G CA 0.340 45.310 45.100 -0.217 0.000 0.784 684 G HN 0.252 nan 8.290 nan 0.000 0.543 685 L N -1.435 119.701 121.223 -0.146 0.000 2.068 685 L HA 0.478 4.818 4.340 -0.000 0.000 0.204 685 L C 0.119 176.993 176.870 0.006 0.000 1.076 685 L CA 0.990 55.782 54.840 -0.081 0.000 0.753 685 L CB 0.026 42.019 42.059 -0.110 0.000 0.910 685 L HN 0.092 nan 8.230 nan 0.000 0.439 686 F N -0.191 119.670 119.950 -0.148 0.000 2.605 686 F HA 0.434 4.961 4.527 -0.000 0.000 0.320 686 F C -2.233 173.476 175.800 -0.152 0.000 1.159 686 F CA -1.507 56.391 58.000 -0.169 0.000 0.999 686 F CB 1.470 40.346 39.000 -0.205 0.000 1.258 686 F HN -0.182 nan 8.300 nan 0.000 0.464 687 P HA 0.184 nan 4.420 nan 0.000 0.249 687 P C 0.570 177.513 177.300 -0.596 0.000 1.229 687 P CA 0.448 62.671 63.100 -1.462 0.000 0.788 687 P CB 0.439 31.580 31.700 -0.933 0.000 1.072 688 G N 0.471 109.086 108.800 -0.310 0.000 2.508 688 G HA2 0.169 4.129 3.960 -0.000 0.000 0.278 688 G HA3 0.169 4.129 3.960 -0.000 0.000 0.278 688 G C -0.020 174.845 174.900 -0.059 0.000 1.389 688 G CA -0.223 44.802 45.100 -0.125 0.000 1.050 688 G HN -0.084 nan 8.290 nan 0.000 0.522 689 D N -0.742 119.687 120.400 0.049 0.000 2.479 689 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 689 D C 1.849 178.186 176.300 0.060 0.000 1.177 689 D CA -0.377 53.677 54.000 0.090 0.000 0.830 689 D CB 0.957 41.864 40.800 0.179 0.000 1.014 689 D HN 0.122 nan 8.370 nan 0.000 0.503 690 L N 0.285 121.443 121.223 -0.109 0.000 2.131 690 L HA 0.213 4.552 4.340 -0.000 0.000 0.206 690 L C 0.341 177.119 176.870 -0.154 0.000 1.087 690 L CA 1.297 55.892 54.840 -0.408 0.000 0.767 690 L CB 0.172 41.820 42.059 -0.685 0.000 0.917 690 L HN -0.128 nan 8.230 nan 0.000 0.441 691 I N 0.338 120.857 120.570 -0.085 0.000 2.420 691 I HA 0.299 4.469 4.170 -0.000 0.000 0.282 691 I C -0.350 175.770 176.117 0.006 0.000 1.019 691 I CA -0.286 61.017 61.300 0.004 0.000 1.130 691 I CB 1.246 39.200 38.000 -0.076 0.000 1.262 691 I HN 0.115 nan 8.210 nan 0.000 0.454 692 T N 1.684 116.258 114.554 0.034 0.000 2.887 692 T HA 0.387 4.737 4.350 -0.000 0.000 0.292 692 T C 0.664 175.390 174.700 0.044 0.000 1.087 692 T CA -0.667 61.457 62.100 0.039 0.000 1.009 692 T CB 1.851 70.756 68.868 0.062 0.000 1.203 692 T HN 0.298 nan 8.240 nan 0.000 0.518 693 I N 0.761 121.370 120.570 0.065 0.000 2.530 693 I HA -0.084 4.086 4.170 -0.000 0.000 0.257 693 I C 1.493 177.643 176.117 0.055 0.000 1.179 693 I CA 1.514 62.854 61.300 0.068 0.000 1.440 693 I CB -0.497 37.563 38.000 0.101 0.000 1.087 693 I HN 0.678 nan 8.210 nan 0.000 0.440 694 D N 0.112 120.552 120.400 0.067 0.000 2.355 694 D HA -0.057 4.582 4.640 -0.000 0.000 0.218 694 D C 0.440 176.700 176.300 -0.067 0.000 1.004 694 D CA 0.363 54.364 54.000 0.001 0.000 0.880 694 D CB -0.145 40.683 40.800 0.047 0.000 0.911 694 D HN 0.302 nan 8.370 nan 0.000 0.528 695 N N 0.638 119.304 118.700 -0.057 0.000 2.696 695 N HA -0.012 4.728 4.740 -0.000 0.000 0.246 695 N C 0.972 176.443 175.510 -0.066 0.000 1.057 695 N CA -0.125 52.853 53.050 -0.120 0.000 0.867 695 N CB 1.245 39.602 38.487 -0.217 0.000 1.141 695 N HN -0.203 nan 8.380 nan 0.000 0.517 696 S N 1.796 117.460 115.700 -0.060 0.000 2.382 696 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 696 S C 1.451 176.051 174.600 -0.000 0.000 1.027 696 S CA 1.128 59.314 58.200 -0.023 0.000 0.991 696 S CB -0.184 63.000 63.200 -0.027 0.000 0.823 696 S HN 0.688 nan 8.310 nan 0.000 0.469 697 E N -0.123 120.068 120.200 -0.015 0.000 2.038 697 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 697 E C 1.795 178.496 176.600 0.168 0.000 1.000 697 E CA 1.480 57.908 56.400 0.047 0.000 0.803 697 E CB -0.286 29.425 29.700 0.019 0.000 0.750 697 E HN 0.643 nan 8.360 nan 0.000 0.448 698 Y N -0.129 120.135 120.300 -0.060 0.000 2.200 698 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 698 Y C 2.307 178.159 175.900 -0.081 0.000 1.137 698 Y CA 1.197 59.249 58.100 -0.079 0.000 1.163 698 Y CB -0.819 37.579 38.460 -0.104 0.000 0.988 698 Y HN 0.223 nan 8.280 nan 0.000 0.518 699 M N 0.559 120.219 119.600 0.099 0.000 2.086 699 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 699 M C 1.468 177.761 176.300 -0.011 0.000 1.067 699 M CA 1.707 57.017 55.300 0.016 0.000 1.116 699 M CB -0.656 31.950 32.600 0.010 0.000 1.348 699 M HN 0.005 nan 8.290 nan 0.000 0.407 700 D N 0.174 120.580 120.400 0.010 0.000 2.123 700 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 700 D C 1.969 178.268 176.300 -0.001 0.000 0.992 700 D CA 1.861 55.863 54.000 0.003 0.000 0.833 700 D CB -0.477 40.332 40.800 0.015 0.000 0.954 700 D HN 0.497 nan 8.370 nan 0.000 0.455 701 A N 0.860 123.686 122.820 0.010 0.000 1.898 701 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 701 A C 2.304 179.863 177.584 -0.041 0.000 1.181 701 A CA 2.122 54.158 52.037 -0.003 0.000 0.620 701 A CB -0.670 18.324 19.000 -0.010 0.000 0.819 701 A HN 0.236 nan 8.150 nan 0.000 0.442 702 A N -0.094 122.675 122.820 -0.085 0.000 1.930 702 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 702 A C 2.092 179.559 177.584 -0.195 0.000 1.175 702 A CA 1.717 53.661 52.037 -0.155 0.000 0.627 702 A CB -0.396 18.499 19.000 -0.176 0.000 0.815 702 A HN 0.543 nan 8.150 nan 0.000 0.443 703 K N -0.834 119.460 120.400 -0.176 0.000 2.097 703 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 703 K C 2.057 178.593 176.600 -0.108 0.000 1.049 703 K CA 1.655 57.804 56.287 -0.231 0.000 0.933 703 K CB -0.384 32.042 32.500 -0.123 0.000 0.717 703 K HN 0.456 nan 8.250 nan 0.000 0.442 704 T N 0.819 115.361 114.554 -0.021 0.000 2.708 704 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 704 T C 2.104 176.933 174.700 0.214 0.000 1.037 704 T CA 1.523 63.668 62.100 0.075 0.000 1.146 704 T CB -0.183 68.755 68.868 0.117 0.000 0.865 704 T HN 0.139 nan 8.240 nan 0.000 0.435 705 S N 1.229 117.019 115.700 0.150 0.000 2.359 705 S HA -0.010 4.460 4.470 -0.000 0.000 0.224 705 S C 2.041 176.750 174.600 0.181 0.000 1.035 705 S CA 0.959 59.277 58.200 0.197 0.000 1.018 705 S CB -0.515 62.724 63.200 0.064 0.000 0.876 705 S HN 0.335 nan 8.310 nan 0.000 0.448 706 L N 0.827 122.048 121.223 -0.004 0.000 2.017 706 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 706 L C 2.706 179.793 176.870 0.362 0.000 1.073 706 L CA 1.504 56.333 54.840 -0.018 0.000 0.745 706 L CB -0.420 41.229 42.059 -0.683 0.000 0.894 706 L HN 0.262 nan 8.230 nan 0.000 0.432 707 R N -0.867 119.837 120.500 0.340 0.000 2.081 707 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 707 R C 2.355 178.861 176.300 0.343 0.000 1.131 707 R CA 1.684 58.036 56.100 0.420 0.000 0.960 707 R CB -0.399 29.922 30.300 0.035 0.000 0.856 707 R HN 0.196 nan 8.270 nan 0.000 0.436 708 Y N 0.346 120.786 120.300 0.234 0.000 2.181 708 Y HA -0.129 4.421 4.550 -0.000 0.000 0.288 708 Y C 2.492 178.539 175.900 0.244 0.000 1.146 708 Y CA 1.385 59.615 58.100 0.216 0.000 1.164 708 Y CB 0.000 38.573 38.460 0.187 0.000 0.982 708 Y HN -0.016 nan 8.280 nan 0.000 0.515 709 R N -1.478 119.270 120.500 0.413 0.000 2.115 709 R HA -0.066 4.274 4.340 -0.000 0.000 0.226 709 R C 1.867 178.322 176.300 0.259 0.000 1.100 709 R CA 1.219 57.504 56.100 0.307 0.000 0.980 709 R CB -1.055 29.407 30.300 0.270 0.000 0.875 709 R HN 0.325 nan 8.270 nan 0.000 0.445 710 C N -0.935 118.570 119.300 0.341 0.000 2.912 710 C HA 0.357 4.817 4.460 -0.000 0.000 0.274 710 C C 0.456 175.431 174.990 -0.025 0.000 1.248 710 C CA -0.557 58.571 59.018 0.184 0.000 1.694 710 C CB -0.544 27.375 27.740 0.299 0.000 2.024 710 C HN 0.063 nan 8.230 nan 0.000 0.605 711 F N 0.971 120.976 119.950 0.091 0.000 2.522 711 F HA 0.524 5.051 4.527 -0.000 0.000 0.324 711 F C 0.061 175.888 175.800 0.045 0.000 1.077 711 F CA -0.759 57.262 58.000 0.035 0.000 0.944 711 F CB 1.142 40.153 39.000 0.019 0.000 1.175 711 F HN -0.327 nan 8.300 nan 0.000 0.468 712 K N 1.822 122.333 120.400 0.186 0.000 2.450 712 K HA 0.657 4.976 4.320 -0.000 0.000 0.257 712 K C 0.243 176.920 176.600 0.128 0.000 0.953 712 K CA 0.245 56.612 56.287 0.132 0.000 0.844 712 K CB 1.026 33.569 32.500 0.072 0.000 1.103 712 K HN 0.786 nan 8.250 nan 0.000 0.429 713 G N 3.909 112.777 108.800 0.113 0.000 2.591 713 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.298 713 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.298 713 G C 0.324 175.284 174.900 0.099 0.000 1.195 713 G CA 0.505 45.656 45.100 0.084 0.000 0.989 713 G HN 0.695 nan 8.290 nan 0.000 0.551 714 N N 0.029 118.783 118.700 0.091 0.000 2.238 714 N HA 0.355 5.095 4.740 -0.000 0.000 0.222 714 N C -0.004 175.663 175.510 0.262 0.000 1.133 714 N CA 0.585 53.697 53.050 0.102 0.000 0.854 714 N CB 0.380 38.874 38.487 0.013 0.000 1.041 714 N HN 0.547 nan 8.380 nan 0.000 0.510 715 V N 1.935 121.994 119.914 0.242 0.000 2.370 715 V HA 0.302 4.422 4.120 -0.000 0.000 0.279 715 V C 0.174 176.268 176.094 0.000 0.000 1.029 715 V CA -1.091 61.289 62.300 0.134 0.000 0.870 715 V CB 1.153 32.997 31.823 0.035 0.000 0.984 715 V HN 0.136 nan 8.190 nan 0.000 0.451 716 L N 5.786 126.834 121.223 -0.291 0.000 2.513 716 L HA 0.222 4.561 4.340 -0.000 0.000 0.272 716 L C 0.322 176.917 176.870 -0.459 0.000 1.187 716 L CA 0.798 55.110 54.840 -0.881 0.000 0.895 716 L CB 0.421 41.926 42.059 -0.924 0.000 1.147 716 L HN 0.611 nan 8.230 nan 0.000 0.483 717 Q N 3.398 122.947 119.800 -0.419 0.000 2.235 717 Q HA 0.272 4.612 4.340 -0.000 0.000 0.250 717 Q C -0.089 175.768 176.000 -0.238 0.000 0.909 717 Q CA -0.223 55.437 55.803 -0.238 0.000 0.910 717 Q CB 1.609 30.257 28.738 -0.150 0.000 1.223 717 Q HN 0.776 nan 8.270 nan 0.000 0.432 718 S N 2.005 117.592 115.700 -0.189 0.000 2.593 718 S HA 0.312 4.781 4.470 -0.000 0.000 0.269 718 S C -0.101 174.380 174.600 -0.199 0.000 1.334 718 S CA -0.162 57.925 58.200 -0.189 0.000 1.015 718 S CB 0.457 63.565 63.200 -0.154 0.000 0.912 718 S HN 0.658 nan 8.310 nan 0.000 0.541 719 N N -0.977 117.583 118.700 -0.233 0.000 3.364 719 N HA 0.439 5.178 4.740 -0.000 0.000 0.294 719 N C -1.676 173.634 175.510 -0.334 0.000 1.562 719 N CA -0.212 52.668 53.050 -0.284 0.000 0.862 719 N CB 1.676 39.974 38.487 -0.315 0.000 1.691 719 N HN 0.778 nan 8.380 nan 0.000 0.572 720 T N -2.605 111.694 114.554 -0.426 0.000 2.865 720 T HA 0.696 5.046 4.350 -0.000 0.000 0.294 720 T C 0.739 175.151 174.700 -0.480 0.000 1.119 720 T CA 0.289 62.115 62.100 -0.457 0.000 1.007 720 T CB 1.386 69.977 68.868 -0.462 0.000 1.225 720 T HN 0.928 nan 8.240 nan 0.000 0.515 721 G N 1.077 109.660 108.800 -0.362 0.000 2.596 721 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.295 721 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.295 721 G C 0.950 175.729 174.900 -0.201 0.000 1.240 721 G CA 0.801 45.773 45.100 -0.213 0.000 0.985 721 G HN 1.471 nan 8.290 nan 0.000 0.555 722 W N 0.416 121.675 121.300 -0.068 0.000 2.425 722 W HA 0.315 4.975 4.660 -0.000 0.000 0.277 722 W C 2.260 178.765 176.519 -0.024 0.000 1.231 722 W CA 1.990 59.296 57.345 -0.065 0.000 1.248 722 W CB -1.363 28.039 29.460 -0.096 0.000 1.117 722 W HN 0.912 nan 8.180 nan 0.000 0.568 723 A N 1.717 123.958 122.820 -0.965 0.000 1.872 723 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 723 A C 2.078 179.478 177.584 -0.308 0.000 1.187 723 A CA 1.772 53.282 52.037 -0.878 0.000 0.614 723 A CB -0.908 17.339 19.000 -1.255 0.000 0.826 723 A HN 0.193 nan 8.150 nan 0.000 0.442 724 I N 0.205 120.594 120.570 -0.302 0.000 2.252 724 I HA -0.090 4.080 4.170 -0.000 0.000 0.245 724 I C 2.349 178.446 176.117 -0.033 0.000 1.102 724 I CA 1.484 62.684 61.300 -0.165 0.000 1.385 724 I CB -0.652 37.221 38.000 -0.213 0.000 1.064 724 I HN 0.241 nan 8.210 nan 0.000 0.414 725 G N -0.670 108.142 108.800 0.019 0.000 2.446 725 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.217 725 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.217 725 G C 1.576 176.652 174.900 0.293 0.000 1.168 725 G CA 0.897 46.090 45.100 0.155 0.000 0.771 725 G HN 0.525 nan 8.290 nan 0.000 0.551 726 Q N 0.035 120.067 119.800 0.388 0.000 2.096 726 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 726 Q C 2.711 178.837 176.000 0.211 0.000 0.982 726 Q CA 1.320 57.406 55.803 0.473 0.000 0.850 726 Q CB -0.095 28.993 28.738 0.582 0.000 0.901 726 Q HN 0.478 nan 8.270 nan 0.000 0.422 727 R N -0.128 120.473 120.500 0.168 0.000 2.073 727 R HA -0.039 4.300 4.340 -0.000 0.000 0.229 727 R C 2.393 178.834 176.300 0.235 0.000 1.120 727 R CA 1.321 57.550 56.100 0.214 0.000 0.967 727 R CB -0.262 30.156 30.300 0.197 0.000 0.862 727 R HN 0.322 nan 8.270 nan 0.000 0.436 728 I N 1.421 122.055 120.570 0.107 0.000 2.118 728 I HA -0.357 3.812 4.170 -0.000 0.000 0.241 728 I C 1.978 178.088 176.117 -0.012 0.000 1.070 728 I CA 1.416 62.751 61.300 0.060 0.000 1.327 728 I CB -0.418 37.602 38.000 0.034 0.000 1.034 728 I HN 0.249 nan 8.210 nan 0.000 0.405 729 N N 0.240 118.824 118.700 -0.194 0.000 2.166 729 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 729 N C 2.018 177.213 175.510 -0.524 0.000 1.019 729 N CA 1.590 54.254 53.050 -0.643 0.000 0.856 729 N CB -0.101 37.409 38.487 -1.627 0.000 0.993 729 N HN 0.291 nan 8.380 nan 0.000 0.426 730 S N 0.237 115.779 115.700 -0.264 0.000 2.355 730 S HA -0.090 4.379 4.470 -0.000 0.000 0.222 730 S C 1.617 176.150 174.600 -0.111 0.000 1.031 730 S CA 0.755 58.887 58.200 -0.114 0.000 0.993 730 S CB -0.385 62.768 63.200 -0.079 0.000 0.859 730 S HN 0.445 nan 8.310 nan 0.000 0.453 731 W N 1.931 123.197 121.300 -0.055 0.000 2.363 731 W HA -0.061 4.599 4.660 -0.000 0.000 0.296 731 W C 2.713 179.211 176.519 -0.035 0.000 1.212 731 W CA 0.845 58.174 57.345 -0.026 0.000 1.260 731 W CB -0.597 28.851 29.460 -0.019 0.000 1.131 731 W HN 0.296 nan 8.180 nan 0.000 0.530 732 A N 0.348 123.252 122.820 0.140 0.000 1.908 732 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 732 A C 2.051 179.671 177.584 0.059 0.000 1.181 732 A CA 1.491 53.572 52.037 0.074 0.000 0.627 732 A CB -0.624 18.387 19.000 0.019 0.000 0.818 732 A HN 0.116 nan 8.150 nan 0.000 0.445 733 R N -0.130 120.393 120.500 0.038 0.000 2.193 733 R HA -0.105 4.235 4.340 -0.000 0.000 0.229 733 R C 2.276 178.593 176.300 0.027 0.000 1.110 733 R CA 1.755 57.886 56.100 0.052 0.000 0.988 733 R CB -1.427 28.924 30.300 0.084 0.000 0.871 733 R HN 0.807 nan 8.270 nan 0.000 0.458 734 T N -3.230 111.330 114.554 0.010 0.000 2.995 734 T HA 0.036 4.386 4.350 -0.000 0.000 0.269 734 T C 1.471 176.202 174.700 0.053 0.000 1.091 734 T CA 1.211 63.313 62.100 0.004 0.000 1.128 734 T CB 0.102 68.938 68.868 -0.053 0.000 0.891 734 T HN 0.400 nan 8.240 nan 0.000 0.492 735 G N 1.168 110.011 108.800 0.072 0.000 2.176 735 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 735 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 735 G C -0.068 174.879 174.900 0.079 0.000 0.979 735 G CA 0.122 45.261 45.100 0.064 0.000 0.641 735 G HN 0.685 nan 8.290 nan 0.000 0.530 736 D N 1.132 121.619 120.400 0.145 0.000 2.508 736 D HA 0.462 5.101 4.640 -0.000 0.000 0.224 736 D C 1.711 178.072 176.300 0.101 0.000 1.171 736 D CA 0.521 54.619 54.000 0.164 0.000 1.006 736 D CB -0.018 40.983 40.800 0.334 0.000 1.073 736 D HN 0.225 nan 8.370 nan 0.000 0.513 737 G N 3.179 111.991 108.800 0.020 0.000 2.432 737 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.219 737 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.219 737 G C 1.555 176.411 174.900 -0.074 0.000 1.135 737 G CA 0.102 45.174 45.100 -0.048 0.000 0.767 737 G HN 0.376 nan 8.290 nan 0.000 0.550 738 N N 0.525 119.192 118.700 -0.054 0.000 2.142 738 N HA -0.080 4.660 4.740 -0.000 0.000 0.186 738 N C 2.356 177.823 175.510 -0.072 0.000 1.023 738 N CA 1.627 54.645 53.050 -0.053 0.000 0.852 738 N CB -0.666 37.797 38.487 -0.039 0.000 0.998 738 N HN 0.206 nan 8.380 nan 0.000 0.424 739 T N 0.406 114.887 114.554 -0.122 0.000 2.821 739 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 739 T C 1.893 176.387 174.700 -0.343 0.000 1.046 739 T CA 1.371 63.275 62.100 -0.326 0.000 1.139 739 T CB -0.448 68.032 68.868 -0.648 0.000 0.871 739 T HN 0.286 nan 8.240 nan 0.000 0.454 740 T N 1.238 115.702 114.554 -0.150 0.000 2.684 740 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 740 T C 1.629 176.253 174.700 -0.127 0.000 1.036 740 T CA 1.445 63.499 62.100 -0.077 0.000 1.148 740 T CB -0.565 68.321 68.868 0.030 0.000 0.863 740 T HN 0.466 nan 8.240 nan 0.000 0.436 741 Y N 1.896 122.048 120.300 -0.247 0.000 2.165 741 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 741 Y C 2.526 178.312 175.900 -0.190 0.000 1.155 741 Y CA 1.413 59.340 58.100 -0.288 0.000 1.164 741 Y CB -0.496 37.693 38.460 -0.451 0.000 0.978 741 Y HN 0.258 nan 8.280 nan 0.000 0.513 742 Q N -0.141 119.455 119.800 -0.340 0.000 2.170 742 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 742 Q C 2.265 178.041 176.000 -0.373 0.000 0.976 742 Q CA 1.800 57.377 55.803 -0.376 0.000 0.858 742 Q CB -0.222 28.353 28.738 -0.272 0.000 0.907 742 Q HN 0.527 nan 8.270 nan 0.000 0.433 743 L N -0.410 120.605 121.223 -0.347 0.000 2.046 743 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 743 L C 2.317 179.052 176.870 -0.224 0.000 1.077 743 L CA 0.743 55.416 54.840 -0.279 0.000 0.747 743 L CB -0.564 41.352 42.059 -0.237 0.000 0.896 743 L HN 0.086 nan 8.230 nan 0.000 0.432 744 V N -0.004 119.775 119.914 -0.226 0.000 2.282 744 V HA -0.322 3.797 4.120 -0.000 0.000 0.249 744 V C 2.425 178.407 176.094 -0.187 0.000 1.057 744 V CA 2.027 64.230 62.300 -0.162 0.000 1.032 744 V CB -0.563 31.213 31.823 -0.079 0.000 0.645 744 V HN 0.476 nan 8.190 nan 0.000 0.447 745 E N -0.160 119.843 120.200 -0.329 0.000 2.085 745 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 745 E C 2.224 178.798 176.600 -0.043 0.000 0.994 745 E CA 1.357 57.688 56.400 -0.116 0.000 0.801 745 E CB -0.226 29.318 29.700 -0.260 0.000 0.743 745 E HN 0.514 nan 8.360 nan 0.000 0.453 746 L N 0.725 121.858 121.223 -0.150 0.000 2.093 746 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 746 L C 2.779 179.559 176.870 -0.150 0.000 1.085 746 L CA 1.045 55.799 54.840 -0.142 0.000 0.755 746 L CB -0.296 41.647 42.059 -0.193 0.000 0.904 746 L HN 0.182 nan 8.230 nan 0.000 0.435 747 Q N 0.044 119.746 119.800 -0.162 0.000 2.084 747 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 747 Q C 2.246 178.138 176.000 -0.179 0.000 0.978 747 Q CA 1.529 57.222 55.803 -0.183 0.000 0.844 747 Q CB 0.053 28.703 28.738 -0.146 0.000 0.898 747 Q HN 0.329 nan 8.270 nan 0.000 0.426 748 L N 0.803 121.935 121.223 -0.152 0.000 2.093 748 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 748 L C 2.112 178.908 176.870 -0.124 0.000 1.085 748 L CA 1.729 56.441 54.840 -0.213 0.000 0.755 748 L CB -0.313 41.457 42.059 -0.481 0.000 0.904 748 L HN 0.100 nan 8.230 nan 0.000 0.435 749 K N -0.816 119.572 120.400 -0.019 0.000 2.167 749 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 749 K C 0.999 177.592 176.600 -0.011 0.000 1.052 749 K CA 1.285 57.600 56.287 0.045 0.000 0.956 749 K CB -0.020 32.526 32.500 0.076 0.000 0.735 749 K HN 0.391 nan 8.250 nan 0.000 0.451 750 N N -1.198 117.441 118.700 -0.102 0.000 2.159 750 N HA 0.147 4.886 4.740 -0.000 0.000 0.217 750 N C -0.093 175.160 175.510 -0.427 0.000 1.223 750 N CA -0.049 52.916 53.050 -0.141 0.000 0.896 750 N CB 1.742 40.146 38.487 -0.139 0.000 1.064 750 N HN 0.010 nan 8.380 nan 0.000 0.518 751 A N 0.132 122.610 122.820 -0.570 0.000 2.504 751 A HA 0.354 4.674 4.320 -0.000 0.000 0.263 751 A C -0.545 176.579 177.584 -0.766 0.000 0.885 751 A CA -0.179 51.193 52.037 -1.107 0.000 1.086 751 A CB 0.388 18.973 19.000 -0.692 0.000 1.203 751 A HN -0.002 nan 8.150 nan 0.000 0.496 752 M N 0.873 120.290 119.600 -0.305 0.000 2.253 752 M HA 0.471 4.950 4.480 -0.000 0.000 0.314 752 M C -1.073 175.351 176.300 0.206 0.000 1.019 752 M CA -0.526 54.745 55.300 -0.049 0.000 0.932 752 M CB 1.101 33.667 32.600 -0.056 0.000 1.606 752 M HN 0.252 nan 8.290 nan 0.000 0.430 753 Y N 0.692 121.150 120.300 0.263 0.000 2.258 753 Y HA 0.278 4.828 4.550 -0.000 0.000 0.345 753 Y C 1.627 177.502 175.900 -0.041 0.000 1.303 753 Y CA -0.014 58.124 58.100 0.064 0.000 1.537 753 Y CB 0.153 38.590 38.460 -0.038 0.000 1.383 753 Y HN 0.815 nan 8.280 nan 0.000 0.606 754 A N 0.889 123.753 122.820 0.072 0.000 2.019 754 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 754 A C 1.548 179.108 177.584 -0.041 0.000 1.164 754 A CA 1.639 53.675 52.037 -0.002 0.000 0.644 754 A CB -0.960 18.006 19.000 -0.056 0.000 0.805 754 A HN 0.789 nan 8.150 nan 0.000 0.449 755 N N 0.243 118.806 118.700 -0.228 0.000 2.434 755 N HA 0.100 4.840 4.740 -0.000 0.000 0.196 755 N C 0.413 175.745 175.510 -0.297 0.000 1.183 755 N CA 0.514 53.329 53.050 -0.391 0.000 0.849 755 N CB -0.674 37.352 38.487 -0.769 0.000 0.992 755 N HN 0.489 nan 8.380 nan 0.000 0.460 756 L N -1.667 119.497 121.223 -0.099 0.000 4.179 756 L HA -0.223 4.117 4.340 -0.000 0.000 0.418 756 L C -0.658 176.404 176.870 0.321 0.000 1.168 756 L CA 0.275 55.133 54.840 0.030 0.000 0.972 756 L CB -2.247 39.713 42.059 -0.165 0.000 2.005 756 L HN 0.042 nan 8.230 nan 0.000 0.935 757 F N 1.943 121.934 119.950 0.068 0.000 2.543 757 F HA 0.145 4.672 4.527 -0.000 0.000 0.375 757 F C 1.317 177.130 175.800 0.021 0.000 1.075 757 F CA -0.692 57.296 58.000 -0.019 0.000 1.225 757 F CB 0.299 39.114 39.000 -0.308 0.000 1.099 757 F HN 0.072 nan 8.300 nan 0.000 0.561 758 D N 3.538 124.072 120.400 0.222 0.000 2.443 758 D HA 0.184 4.824 4.640 -0.000 0.000 0.239 758 D C -0.856 175.458 176.300 0.023 0.000 1.136 758 D CA 0.247 54.255 54.000 0.013 0.000 0.879 758 D CB 0.373 41.154 40.800 -0.031 0.000 1.195 758 D HN 0.375 nan 8.370 nan 0.000 0.443 759 Y N 0.797 120.936 120.300 -0.268 0.000 2.605 759 Y HA 0.379 4.929 4.550 -0.000 0.000 0.343 759 Y C 0.045 175.881 175.900 -0.106 0.000 1.036 759 Y CA -0.921 57.014 58.100 -0.274 0.000 1.065 759 Y CB 1.151 39.141 38.460 -0.784 0.000 1.288 759 Y HN 0.528 nan 8.280 nan 0.000 0.481 760 H N 1.591 120.761 119.070 0.167 0.000 2.557 760 H HA 0.476 5.032 4.556 -0.000 0.000 0.281 760 H C 0.228 175.667 175.328 0.186 0.000 0.990 760 H CA 0.829 56.936 56.048 0.098 0.000 1.278 760 H CB 0.263 30.131 29.762 0.177 0.000 1.451 760 H HN 0.896 nan 8.280 nan 0.000 0.516 761 A N 2.973 126.062 122.820 0.448 0.000 2.346 761 A HA 0.351 4.671 4.320 -0.000 0.000 0.252 761 A C -1.918 175.963 177.584 0.495 0.000 1.089 761 A CA -0.908 51.419 52.037 0.482 0.000 0.797 761 A CB 0.097 19.263 19.000 0.276 0.000 1.047 761 A HN 0.333 nan 8.150 nan 0.000 0.494 762 P HA 0.256 nan 4.420 nan 0.000 0.317 762 P C -0.073 177.414 177.300 0.311 0.000 1.307 762 P CA -0.644 62.596 63.100 0.233 0.000 0.749 762 P CB 0.172 31.933 31.700 0.102 0.000 1.377 763 F N 1.024 121.071 119.950 0.163 0.000 2.604 763 F HA 0.034 4.561 4.527 -0.000 0.000 0.393 763 F C -0.230 175.617 175.800 0.080 0.000 1.043 763 F CA 0.793 58.864 58.000 0.119 0.000 1.227 763 F CB -0.359 38.702 39.000 0.102 0.000 1.016 763 F HN 0.072 nan 8.300 nan 0.000 0.556 764 Q N 7.392 126.969 119.800 -0.371 0.000 2.263 764 Q HA 0.246 4.586 4.340 -0.000 0.000 0.266 764 Q C 0.662 176.371 176.000 -0.486 0.000 1.002 764 Q CA -0.418 55.064 55.803 -0.535 0.000 0.790 764 Q CB 1.952 30.610 28.738 -0.132 0.000 1.272 764 Q HN 0.985 nan 8.270 nan 0.000 0.435 765 I N 1.966 122.165 120.570 -0.618 0.000 2.676 765 I HA -0.230 3.940 4.170 -0.000 0.000 0.259 765 I C 1.162 177.131 176.117 -0.247 0.000 1.194 765 I CA 1.206 62.297 61.300 -0.348 0.000 1.473 765 I CB 0.408 38.256 38.000 -0.252 0.000 1.096 765 I HN 0.644 nan 8.210 nan 0.000 0.443 766 D N 0.591 120.922 120.400 -0.116 0.000 2.154 766 D HA -0.258 4.381 4.640 -0.000 0.000 0.190 766 D C 2.113 178.404 176.300 -0.016 0.000 1.003 766 D CA 1.633 55.622 54.000 -0.018 0.000 0.849 766 D CB -1.371 39.395 40.800 -0.055 0.000 0.942 766 D HN 0.339 nan 8.370 nan 0.000 0.446 767 G N -0.368 108.406 108.800 -0.043 0.000 2.448 767 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 767 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 767 G C 1.551 176.427 174.900 -0.041 0.000 1.127 767 G CA 0.804 45.887 45.100 -0.028 0.000 0.766 767 G HN 0.349 nan 8.290 nan 0.000 0.552 768 N N -0.135 118.484 118.700 -0.136 0.000 2.084 768 N HA -0.069 4.670 4.740 -0.000 0.000 0.190 768 N C 1.764 177.181 175.510 -0.154 0.000 1.030 768 N CA 1.275 54.206 53.050 -0.197 0.000 0.849 768 N CB -0.235 38.007 38.487 -0.408 0.000 1.012 768 N HN 0.291 nan 8.380 nan 0.000 0.423 769 F N 0.385 120.324 119.950 -0.019 0.000 2.206 769 F HA 0.137 4.664 4.527 -0.000 0.000 0.298 769 F C 2.492 178.332 175.800 0.066 0.000 1.090 769 F CA 0.735 58.717 58.000 -0.031 0.000 1.323 769 F CB -1.113 37.811 39.000 -0.128 0.000 1.028 769 F HN 0.046 nan 8.300 nan 0.000 0.492 770 G N -0.108 108.845 108.800 0.254 0.000 2.422 770 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 770 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 770 G C 1.760 176.819 174.900 0.265 0.000 1.146 770 G CA 0.955 46.251 45.100 0.328 0.000 0.769 770 G HN 0.345 nan 8.290 nan 0.000 0.547 771 N N 0.547 119.352 118.700 0.174 0.000 2.043 771 N HA -0.140 4.600 4.740 -0.000 0.000 0.193 771 N C 2.158 177.811 175.510 0.238 0.000 1.037 771 N CA 2.022 55.173 53.050 0.169 0.000 0.851 771 N CB -0.525 38.034 38.487 0.120 0.000 1.027 771 N HN 0.222 nan 8.380 nan 0.000 0.422 772 T N -0.129 114.541 114.554 0.193 0.000 2.720 772 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 772 T C 2.018 176.893 174.700 0.292 0.000 1.037 772 T CA 1.635 63.817 62.100 0.137 0.000 1.144 772 T CB -0.489 68.320 68.868 -0.099 0.000 0.864 772 T HN 0.331 nan 8.240 nan 0.000 0.444 773 S N 0.518 116.391 115.700 0.288 0.000 2.368 773 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 773 S C 2.381 177.131 174.600 0.250 0.000 1.030 773 S CA 1.652 60.043 58.200 0.317 0.000 0.999 773 S CB -0.825 62.644 63.200 0.449 0.000 0.844 773 S HN 0.582 nan 8.310 nan 0.000 0.459 774 G N 0.729 109.651 108.800 0.204 0.000 2.402 774 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 774 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 774 G C 1.483 176.494 174.900 0.185 0.000 1.162 774 G CA 1.031 46.197 45.100 0.110 0.000 0.777 774 G HN 0.468 nan 8.290 nan 0.000 0.539 775 V N 1.363 121.458 119.914 0.300 0.000 2.295 775 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 775 V C 2.605 178.865 176.094 0.276 0.000 1.049 775 V CA 2.162 64.671 62.300 0.348 0.000 1.024 775 V CB -0.463 31.616 31.823 0.427 0.000 0.648 775 V HN 0.251 nan 8.190 nan 0.000 0.447 776 D N -0.010 120.588 120.400 0.330 0.000 2.116 776 D HA -0.174 4.465 4.640 -0.000 0.000 0.193 776 D C 2.233 178.649 176.300 0.192 0.000 0.998 776 D CA 1.312 55.472 54.000 0.267 0.000 0.836 776 D CB -0.255 40.730 40.800 0.309 0.000 0.951 776 D HN 0.405 nan 8.370 nan 0.000 0.449 777 E N -0.273 120.033 120.200 0.176 0.000 2.268 777 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 777 E C 2.160 178.812 176.600 0.086 0.000 0.995 777 E CA 0.287 56.765 56.400 0.129 0.000 0.836 777 E CB -0.171 29.585 29.700 0.093 0.000 0.763 777 E HN 0.467 nan 8.360 nan 0.000 0.491 778 M N -0.273 119.384 119.600 0.095 0.000 2.200 778 M HA -0.065 4.415 4.480 -0.000 0.000 0.265 778 M C 2.056 178.365 176.300 0.016 0.000 1.066 778 M CA 1.185 56.519 55.300 0.056 0.000 1.127 778 M CB -0.044 32.607 32.600 0.085 0.000 1.379 778 M HN 0.035 nan 8.290 nan 0.000 0.420 779 L N -0.994 120.255 121.223 0.043 0.000 2.463 779 L HA 0.262 4.602 4.340 -0.000 0.000 0.219 779 L C -0.004 176.863 176.870 -0.004 0.000 1.088 779 L CA -0.087 54.737 54.840 -0.026 0.000 0.849 779 L CB 0.366 42.434 42.059 0.014 0.000 1.012 779 L HN 0.212 nan 8.230 nan 0.000 0.468 780 L N -0.135 121.116 121.223 0.048 0.000 2.543 780 L HA 0.411 4.750 4.340 -0.000 0.000 0.265 780 L C -1.326 175.584 176.870 0.066 0.000 0.945 780 L CA -0.087 54.785 54.840 0.054 0.000 0.869 780 L CB 1.962 44.077 42.059 0.093 0.000 1.294 780 L HN -0.049 nan 8.230 nan 0.000 0.405 781 Q N 1.580 121.392 119.800 0.020 0.000 2.348 781 Q HA 0.747 5.087 4.340 -0.000 0.000 0.271 781 Q C -0.298 175.646 176.000 -0.093 0.000 1.067 781 Q CA -0.043 55.758 55.803 -0.003 0.000 0.839 781 Q CB 2.216 30.943 28.738 -0.019 0.000 1.354 781 Q HN 0.729 nan 8.270 nan 0.000 0.447 782 S N -0.812 114.816 115.700 -0.120 0.000 3.067 782 S HA 0.046 4.516 4.470 -0.000 0.000 0.253 782 S C 0.168 174.614 174.600 -0.256 0.000 0.942 782 S CA -0.429 57.638 58.200 -0.222 0.000 1.197 782 S CB -0.044 63.059 63.200 -0.163 0.000 1.143 782 S HN 0.759 nan 8.310 nan 0.000 0.638 783 N N 0.943 119.517 118.700 -0.209 0.000 2.282 783 N HA 0.137 4.877 4.740 -0.000 0.000 0.185 783 N C 0.399 175.845 175.510 -0.107 0.000 1.099 783 N CA -0.025 52.946 53.050 -0.132 0.000 0.878 783 N CB 0.447 38.900 38.487 -0.056 0.000 0.993 783 N HN 0.306 nan 8.380 nan 0.000 0.481 784 S N -0.320 115.250 115.700 -0.217 0.000 2.707 784 S HA 0.504 4.974 4.470 -0.000 0.000 0.276 784 S C -0.585 174.071 174.600 0.094 0.000 1.179 784 S CA -0.134 58.028 58.200 -0.064 0.000 0.992 784 S CB 1.071 64.255 63.200 -0.026 0.000 1.030 784 S HN 0.217 nan 8.310 nan 0.000 0.554 785 T N 2.229 116.973 114.554 0.317 0.000 2.841 785 T HA 0.435 4.785 4.350 -0.000 0.000 0.285 785 T C -1.301 173.675 174.700 0.459 0.000 0.991 785 T CA -0.233 62.104 62.100 0.395 0.000 0.966 785 T CB 0.521 69.523 68.868 0.223 0.000 0.962 785 T HN 0.458 nan 8.240 nan 0.000 0.438 786 F N 2.695 122.821 119.950 0.293 0.000 2.404 786 F HA 0.559 5.086 4.527 -0.000 0.000 0.339 786 F C 0.123 176.009 175.800 0.142 0.000 1.105 786 F CA -0.277 57.738 58.000 0.024 0.000 1.087 786 F CB 1.218 39.983 39.000 -0.393 0.000 1.143 786 F HN 0.371 nan 8.300 nan 0.000 0.491 787 T N 5.281 119.669 114.554 -0.277 0.000 2.791 787 T HA 0.226 4.576 4.350 -0.000 0.000 0.288 787 T C -0.819 173.772 174.700 -0.181 0.000 0.999 787 T CA -0.793 61.258 62.100 -0.081 0.000 0.952 787 T CB 0.696 69.501 68.868 -0.106 0.000 0.938 787 T HN 0.614 nan 8.240 nan 0.000 0.444 788 D N 1.513 122.044 120.400 0.218 0.000 2.398 788 D HA 0.086 4.726 4.640 -0.000 0.000 0.247 788 D C 1.643 177.991 176.300 0.079 0.000 1.227 788 D CA -0.401 53.742 54.000 0.239 0.000 0.980 788 D CB 0.211 41.269 40.800 0.431 0.000 1.106 788 D HN 0.426 nan 8.370 nan 0.000 0.493 789 T N -3.004 111.591 114.554 0.069 0.000 2.849 789 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 789 T C 1.702 176.422 174.700 0.035 0.000 1.066 789 T CA 1.180 63.298 62.100 0.031 0.000 1.130 789 T CB -0.624 68.263 68.868 0.031 0.000 0.864 789 T HN 0.550 nan 8.240 nan 0.000 0.481 790 A N 0.671 123.528 122.820 0.061 0.000 2.238 790 A HA 0.587 4.906 4.320 -0.000 0.000 0.208 790 A C 2.086 179.689 177.584 0.032 0.000 1.177 790 A CA 0.611 52.675 52.037 0.046 0.000 0.804 790 A CB -0.990 18.045 19.000 0.058 0.000 0.823 790 A HN 1.359 nan 8.150 nan 0.000 0.482 791 G N -0.539 108.282 108.800 0.035 0.000 2.159 791 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.256 791 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.256 791 G C 0.255 175.158 174.900 0.005 0.000 0.977 791 G CA 0.522 45.629 45.100 0.012 0.000 0.652 791 G HN 0.718 nan 8.290 nan 0.000 0.531 792 K N 0.722 121.136 120.400 0.024 0.000 2.326 792 K HA 0.378 4.697 4.320 -0.000 0.000 0.275 792 K C 0.175 176.691 176.600 -0.140 0.000 1.018 792 K CA -0.243 55.988 56.287 -0.092 0.000 0.962 792 K CB 0.282 32.697 32.500 -0.141 0.000 0.953 792 K HN -0.018 nan 8.250 nan 0.000 0.475 793 K N 3.687 123.930 120.400 -0.262 0.000 2.156 793 K HA 0.189 4.509 4.320 -0.000 0.000 0.271 793 K C -1.061 175.299 176.600 -0.400 0.000 0.995 793 K CA -0.405 55.791 56.287 -0.152 0.000 0.890 793 K CB 1.032 33.500 32.500 -0.053 0.000 1.073 793 K HN 0.477 nan 8.250 nan 0.000 0.454 794 Y N 0.954 121.342 120.300 0.147 0.000 2.575 794 Y HA 0.214 4.764 4.550 -0.000 0.000 0.326 794 Y C 0.141 176.158 175.900 0.195 0.000 0.979 794 Y CA -0.955 57.220 58.100 0.126 0.000 1.286 794 Y CB 1.237 39.739 38.460 0.070 0.000 1.093 794 Y HN 0.113 nan 8.280 nan 0.000 0.501 795 V N 3.819 123.854 119.914 0.203 0.000 2.546 795 V HA 0.127 4.247 4.120 -0.000 0.000 0.284 795 V C 0.091 176.267 176.094 0.136 0.000 1.050 795 V CA -0.784 61.616 62.300 0.167 0.000 0.981 795 V CB 0.910 32.789 31.823 0.093 0.000 0.990 795 V HN 0.928 nan 8.190 nan 0.000 0.474 796 N N 2.299 121.048 118.700 0.081 0.000 2.738 796 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 796 N C -0.441 175.042 175.510 -0.046 0.000 1.047 796 N CA 0.929 53.952 53.050 -0.045 0.000 0.707 796 N CB -1.484 36.963 38.487 -0.066 0.000 0.937 796 N HN 0.876 nan 8.380 nan 0.000 0.545 797 Y N -1.655 118.645 120.300 0.000 0.000 2.457 797 Y HA 0.421 4.971 4.550 -0.000 0.000 0.341 797 Y C 0.799 176.633 175.900 -0.111 0.000 1.240 797 Y CA -0.658 57.397 58.100 -0.074 0.000 1.437 797 Y CB 0.467 38.884 38.460 -0.072 0.000 1.328 797 Y HN 0.042 nan 8.280 nan 0.000 0.588 798 T N 4.257 118.764 114.554 -0.079 0.000 2.737 798 T HA 0.099 4.449 4.350 -0.000 0.000 0.296 798 T C -0.411 174.280 174.700 -0.016 0.000 0.922 798 T CA -0.503 61.515 62.100 -0.138 0.000 1.079 798 T CB -0.279 68.434 68.868 -0.258 0.000 0.892 798 T HN 0.600 nan 8.240 nan 0.000 0.514 799 N N 4.162 122.831 118.700 -0.052 0.000 2.511 799 N HA 0.223 4.962 4.740 -0.000 0.000 0.249 799 N C -0.781 174.724 175.510 -0.008 0.000 0.971 799 N CA -0.743 52.324 53.050 0.028 0.000 0.938 799 N CB 0.340 38.837 38.487 0.017 0.000 1.131 799 N HN 0.370 nan 8.380 nan 0.000 0.505 800 I N 4.612 125.167 120.570 -0.024 0.000 2.371 800 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 800 I C 0.956 177.034 176.117 -0.064 0.000 1.028 800 I CA -0.442 60.830 61.300 -0.046 0.000 1.345 800 I CB 0.248 38.202 38.000 -0.076 0.000 1.407 800 I HN 0.581 nan 8.210 nan 0.000 0.501 801 L N 7.470 128.639 121.223 -0.090 0.000 3.795 801 L HA -0.192 4.148 4.340 -0.000 0.000 0.489 801 L C -1.406 175.409 176.870 -0.092 0.000 1.259 801 L CA -0.328 54.420 54.840 -0.153 0.000 0.765 801 L CB -1.106 40.807 42.059 -0.245 0.000 1.519 801 L HN 0.521 nan 8.230 nan 0.000 0.842 802 P HA -0.068 nan 4.420 nan 0.000 0.223 802 P C 0.696 177.990 177.300 -0.010 0.000 1.151 802 P CA 1.795 64.891 63.100 -0.006 0.000 0.787 802 P CB 0.392 32.103 31.700 0.019 0.000 0.788 803 A N -0.120 122.679 122.820 -0.034 0.000 3.453 803 A HA 0.379 4.699 4.320 -0.000 0.000 0.262 803 A C -0.627 176.903 177.584 -0.089 0.000 1.026 803 A CA -0.442 51.576 52.037 -0.032 0.000 0.938 803 A CB -0.604 18.403 19.000 0.012 0.000 1.246 803 A HN 0.088 nan 8.150 nan 0.000 0.546 804 L N 2.677 123.817 121.223 -0.138 0.000 2.361 804 L HA 0.517 4.857 4.340 -0.000 0.000 0.278 804 L C -2.172 174.578 176.870 -0.200 0.000 1.113 804 L CA -1.397 53.318 54.840 -0.208 0.000 0.849 804 L CB 0.308 42.179 42.059 -0.314 0.000 1.155 804 L HN 0.287 nan 8.230 nan 0.000 0.452 805 P HA 0.165 nan 4.420 nan 0.000 0.278 805 P C -0.477 176.665 177.300 -0.264 0.000 1.238 805 P CA -0.287 62.594 63.100 -0.365 0.000 0.794 805 P CB 0.862 32.115 31.700 -0.745 0.000 0.955 806 D N 1.784 122.072 120.400 -0.186 0.000 2.218 806 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 806 D C 1.957 178.188 176.300 -0.115 0.000 0.976 806 D CA 1.492 55.433 54.000 -0.098 0.000 0.853 806 D CB -0.621 40.139 40.800 -0.067 0.000 0.939 806 D HN 0.436 nan 8.370 nan 0.000 0.481 807 A N 0.217 122.853 122.820 -0.308 0.000 2.024 807 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 807 A C 0.432 178.009 177.584 -0.011 0.000 1.164 807 A CA 0.746 52.575 52.037 -0.347 0.000 0.643 807 A CB -0.397 18.014 19.000 -0.983 0.000 0.806 807 A HN 0.183 nan 8.150 nan 0.000 0.451 808 W N -0.809 120.422 121.300 -0.115 0.000 2.227 808 W HA 0.670 5.330 4.660 -0.000 0.000 0.308 808 W C 1.043 177.719 176.519 0.261 0.000 0.882 808 W CA -1.304 56.089 57.345 0.079 0.000 1.707 808 W CB -0.755 28.803 29.460 0.164 0.000 1.782 808 W HN 0.329 nan 8.180 nan 0.000 0.385 809 A N 1.406 124.429 122.820 0.338 0.000 1.972 809 A HA 0.293 4.613 4.320 -0.000 0.000 0.219 809 A C 1.206 178.993 177.584 0.339 0.000 1.169 809 A CA 1.561 53.762 52.037 0.274 0.000 0.635 809 A CB -0.181 18.901 19.000 0.137 0.000 0.810 809 A HN 0.404 nan 8.150 nan 0.000 0.446 810 G N -3.403 105.496 108.800 0.164 0.000 2.696 810 G HA2 0.635 4.595 3.960 -0.000 0.000 0.295 810 G HA3 0.635 4.595 3.960 -0.000 0.000 0.295 810 G C -0.448 174.016 174.900 -0.727 0.000 1.398 810 G CA 0.034 44.945 45.100 -0.316 0.000 0.920 810 G HN 1.246 nan 8.290 nan 0.000 0.492 811 G N -0.877 107.023 108.800 -1.500 0.000 2.317 811 G HA2 0.758 4.717 3.960 -0.000 0.000 0.293 811 G HA3 0.758 4.717 3.960 -0.000 0.000 0.293 811 G C -0.797 173.182 174.900 -1.535 0.000 1.287 811 G CA 0.634 44.886 45.100 -1.413 0.000 0.850 811 G HN 2.043 nan 8.290 nan 0.000 0.515 812 S N -2.186 112.970 115.700 -0.906 0.000 2.550 812 S HA 0.818 5.287 4.470 -0.000 0.000 0.270 812 S C -1.615 172.933 174.600 -0.087 0.000 1.145 812 S CA -0.389 57.581 58.200 -0.384 0.000 0.852 812 S CB 1.835 64.902 63.200 -0.222 0.000 1.119 812 S HN 2.068 nan 8.310 nan 0.000 0.465 813 V N 1.697 121.683 119.914 0.120 0.000 2.841 813 V HA 0.925 5.044 4.120 -0.000 0.000 0.310 813 V C -0.988 175.164 176.094 0.097 0.000 1.090 813 V CA 0.218 62.582 62.300 0.106 0.000 0.930 813 V CB 2.154 34.077 31.823 0.167 0.000 1.014 813 V HN 1.635 nan 8.190 nan 0.000 0.425 814 S N 3.271 119.013 115.700 0.069 0.000 2.569 814 S HA 0.823 5.293 4.470 -0.000 0.000 0.280 814 S C 0.416 175.065 174.600 0.081 0.000 1.111 814 S CA 0.103 58.348 58.200 0.076 0.000 0.887 814 S CB 1.699 64.932 63.200 0.054 0.000 1.095 814 S HN 2.578 nan 8.310 nan 0.000 0.476 815 G N 0.705 109.560 108.800 0.093 0.000 2.141 815 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.242 815 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.242 815 G C -0.091 174.879 174.900 0.117 0.000 0.982 815 G CA 0.153 45.309 45.100 0.094 0.000 0.662 815 G HN 0.845 nan 8.290 nan 0.000 0.527 816 L N -0.162 121.144 121.223 0.137 0.000 2.472 816 L HA 0.573 4.913 4.340 -0.000 0.000 0.260 816 L C 0.775 177.757 176.870 0.187 0.000 1.209 816 L CA -0.698 54.242 54.840 0.167 0.000 0.817 816 L CB 0.971 43.135 42.059 0.175 0.000 1.106 816 L HN -0.035 nan 8.230 nan 0.000 0.479 817 V N 0.514 120.568 119.914 0.232 0.000 2.604 817 V HA 0.671 4.790 4.120 -0.000 0.000 0.305 817 V C 0.055 176.395 176.094 0.410 0.000 1.043 817 V CA -0.652 61.827 62.300 0.298 0.000 0.888 817 V CB 1.560 33.559 31.823 0.294 0.000 0.995 817 V HN 0.870 nan 8.190 nan 0.000 0.429 818 A N 4.338 127.349 122.820 0.319 0.000 2.325 818 A HA 0.767 5.087 4.320 -0.000 0.000 0.333 818 A C 0.134 177.735 177.584 0.028 0.000 1.155 818 A CA -0.809 51.337 52.037 0.181 0.000 0.814 818 A CB 0.744 19.831 19.000 0.146 0.000 1.206 818 A HN 0.859 nan 8.150 nan 0.000 0.482 819 R N 0.125 120.392 120.500 -0.389 0.000 2.697 819 R HA 0.325 4.664 4.340 -0.000 0.000 0.265 819 R C 1.286 177.539 176.300 -0.078 0.000 1.009 819 R CA 1.495 57.314 56.100 -0.470 0.000 1.099 819 R CB 0.136 30.099 30.300 -0.561 0.000 0.965 819 R HN 1.650 nan 8.270 nan 0.000 0.428 820 G N 1.255 109.967 108.800 -0.146 0.000 2.195 820 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.246 820 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.246 820 G C 0.111 174.781 174.900 -0.384 0.000 0.984 820 G CA 0.054 45.090 45.100 -0.107 0.000 0.633 820 G HN 0.720 nan 8.290 nan 0.000 0.525 821 N N -1.171 117.388 118.700 -0.234 0.000 2.725 821 N HA -0.150 4.590 4.740 -0.000 0.000 0.256 821 N C -0.530 174.740 175.510 -0.401 0.000 1.087 821 N CA 1.209 54.124 53.050 -0.225 0.000 0.690 821 N CB -1.638 36.716 38.487 -0.222 0.000 0.891 821 N HN 0.608 nan 8.380 nan 0.000 0.553 822 F N 0.042 120.010 119.950 0.029 0.000 2.458 822 F HA 0.390 4.917 4.527 -0.000 0.000 0.336 822 F C 1.158 177.009 175.800 0.085 0.000 1.114 822 F CA -0.545 57.487 58.000 0.054 0.000 0.987 822 F CB 1.630 40.650 39.000 0.035 0.000 1.130 822 F HN -0.130 nan 8.300 nan 0.000 0.458 823 T N 3.367 118.068 114.554 0.245 0.000 2.817 823 T HA 0.517 4.866 4.350 -0.000 0.000 0.293 823 T C -0.338 174.484 174.700 0.202 0.000 0.964 823 T CA -0.461 61.756 62.100 0.196 0.000 1.085 823 T CB 1.016 69.967 68.868 0.139 0.000 0.921 823 T HN 0.269 nan 8.240 nan 0.000 0.502 824 V N 2.578 122.598 119.914 0.175 0.000 2.540 824 V HA 0.800 4.919 4.120 -0.000 0.000 0.302 824 V C 0.511 176.683 176.094 0.131 0.000 1.035 824 V CA -0.764 61.627 62.300 0.152 0.000 0.873 824 V CB 1.934 33.839 31.823 0.136 0.000 0.992 824 V HN 1.040 nan 8.190 nan 0.000 0.428 825 G N 2.145 111.018 108.800 0.121 0.000 2.524 825 G HA2 0.739 4.699 3.960 -0.000 0.000 0.310 825 G HA3 0.739 4.699 3.960 -0.000 0.000 0.310 825 G C -0.879 174.096 174.900 0.126 0.000 1.279 825 G CA -0.503 44.666 45.100 0.115 0.000 0.974 825 G HN 0.601 nan 8.290 nan 0.000 0.484 826 T N 0.603 115.255 114.554 0.162 0.000 2.952 826 T HA 0.618 4.968 4.350 -0.000 0.000 0.305 826 T C -0.597 174.272 174.700 0.283 0.000 1.064 826 T CA -0.429 61.800 62.100 0.215 0.000 1.008 826 T CB 1.971 70.979 68.868 0.234 0.000 1.078 826 T HN 0.482 nan 8.240 nan 0.000 0.459 827 T N 3.020 117.715 114.554 0.237 0.000 2.829 827 T HA 0.710 5.060 4.350 -0.000 0.000 0.280 827 T C -1.021 173.848 174.700 0.281 0.000 0.999 827 T CA -0.854 61.327 62.100 0.134 0.000 0.983 827 T CB 0.730 69.610 68.868 0.021 0.000 0.968 827 T HN 0.714 nan 8.240 nan 0.000 0.446 828 W N 1.397 122.718 121.300 0.035 0.000 3.031 828 W HA 0.886 5.546 4.660 -0.000 0.000 0.337 828 W C -1.448 175.095 176.519 0.040 0.000 1.187 828 W CA -1.004 56.370 57.345 0.048 0.000 1.166 828 W CB 1.274 30.769 29.460 0.058 0.000 1.437 828 W HN 0.178 nan 8.180 nan 0.000 0.551 829 K N 1.636 122.163 120.400 0.212 0.000 2.543 829 K HA 0.243 4.563 4.320 -0.000 0.000 0.255 829 K C -0.582 176.115 176.600 0.161 0.000 0.934 829 K CA -1.129 55.214 56.287 0.093 0.000 0.810 829 K CB 1.480 34.000 32.500 0.033 0.000 1.315 829 K HN 0.857 nan 8.250 nan 0.000 0.433 830 N N 0.890 119.670 118.700 0.132 0.000 2.708 830 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 830 N C 0.499 176.101 175.510 0.153 0.000 1.097 830 N CA 0.905 54.026 53.050 0.118 0.000 0.710 830 N CB -0.789 37.743 38.487 0.075 0.000 1.032 830 N HN 0.999 nan 8.380 nan 0.000 0.551 831 G N -1.109 107.839 108.800 0.248 0.000 2.148 831 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.254 831 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.254 831 G C -0.179 174.813 174.900 0.153 0.000 0.981 831 G CA 0.821 46.041 45.100 0.199 0.000 0.670 831 G HN 0.497 nan 8.290 nan 0.000 0.528 832 K N -0.332 120.202 120.400 0.223 0.000 2.464 832 K HA 0.706 5.026 4.320 -0.000 0.000 0.253 832 K C 0.214 176.981 176.600 0.279 0.000 0.933 832 K CA -0.377 56.028 56.287 0.197 0.000 0.801 832 K CB 2.165 34.765 32.500 0.166 0.000 1.271 832 K HN 0.652 nan 8.250 nan 0.000 0.430 833 A N 1.167 124.139 122.820 0.254 0.000 2.546 833 A HA 0.083 4.403 4.320 -0.000 0.000 0.243 833 A C 1.059 178.841 177.584 0.330 0.000 1.063 833 A CA 0.444 52.646 52.037 0.275 0.000 0.757 833 A CB -0.194 18.865 19.000 0.099 0.000 0.991 833 A HN 0.874 nan 8.150 nan 0.000 0.503 834 T N -0.413 114.303 114.554 0.269 0.000 3.034 834 T HA 0.261 4.611 4.350 -0.000 0.000 0.248 834 T C 0.450 175.270 174.700 0.201 0.000 1.040 834 T CA 0.773 62.998 62.100 0.209 0.000 1.107 834 T CB 0.045 68.987 68.868 0.123 0.000 0.932 834 T HN 0.742 nan 8.240 nan 0.000 0.474 835 E N 0.407 120.714 120.200 0.178 0.000 2.335 835 E HA 0.525 4.875 4.350 -0.000 0.000 0.280 835 E C -2.072 174.600 176.600 0.120 0.000 0.918 835 E CA -0.734 55.750 56.400 0.140 0.000 0.765 835 E CB 2.760 32.518 29.700 0.097 0.000 1.218 835 E HN 0.075 nan 8.360 nan 0.000 0.425 836 V N 4.132 124.101 119.914 0.092 0.000 2.495 836 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 836 V C -0.255 175.898 176.094 0.097 0.000 1.031 836 V CA -0.726 61.620 62.300 0.077 0.000 0.871 836 V CB 1.614 33.452 31.823 0.025 0.000 0.988 836 V HN 0.591 nan 8.190 nan 0.000 0.432 837 R N 3.917 124.481 120.500 0.106 0.000 2.275 837 R HA 0.552 4.892 4.340 -0.000 0.000 0.326 837 R C -1.237 175.155 176.300 0.152 0.000 0.973 837 R CA -0.686 55.485 56.100 0.119 0.000 0.854 837 R CB 1.630 31.986 30.300 0.093 0.000 1.156 837 R HN 0.530 nan 8.270 nan 0.000 0.487 838 L N 2.841 124.192 121.223 0.212 0.000 2.295 838 L HA 0.309 4.649 4.340 -0.000 0.000 0.281 838 L C -0.636 176.457 176.870 0.372 0.000 1.018 838 L CA 0.048 55.053 54.840 0.274 0.000 0.841 838 L CB 1.795 44.014 42.059 0.266 0.000 1.218 838 L HN 0.466 nan 8.230 nan 0.000 0.424 839 T N 2.719 117.457 114.554 0.305 0.000 2.728 839 T HA 0.159 4.508 4.350 -0.000 0.000 0.296 839 T C 0.249 175.145 174.700 0.326 0.000 0.940 839 T CA -0.086 62.173 62.100 0.265 0.000 1.013 839 T CB 0.723 69.685 68.868 0.157 0.000 0.912 839 T HN 0.582 nan 8.240 nan 0.000 0.484 840 S N 3.375 119.297 115.700 0.370 0.000 2.405 840 S HA 0.107 4.577 4.470 -0.000 0.000 0.291 840 S C 1.234 175.832 174.600 -0.003 0.000 1.137 840 S CA -0.820 57.488 58.200 0.180 0.000 1.061 840 S CB -0.091 63.302 63.200 0.321 0.000 1.001 840 S HN 0.528 nan 8.310 nan 0.000 0.507 841 N N 4.047 122.657 118.700 -0.150 0.000 2.416 841 N HA 0.079 4.819 4.740 -0.000 0.000 0.177 841 N C 0.659 176.103 175.510 -0.110 0.000 1.036 841 N CA 0.556 53.550 53.050 -0.094 0.000 0.901 841 N CB 0.178 38.619 38.487 -0.076 0.000 0.976 841 N HN 0.499 nan 8.380 nan 0.000 0.444 842 K N -0.721 119.563 120.400 -0.194 0.000 2.483 842 K HA 0.232 4.552 4.320 -0.000 0.000 0.206 842 K C 0.521 177.053 176.600 -0.114 0.000 1.086 842 K CA -0.010 56.190 56.287 -0.146 0.000 1.052 842 K CB 0.989 33.383 32.500 -0.178 0.000 0.904 842 K HN 0.121 nan 8.250 nan 0.000 0.557 843 G N 2.644 111.385 108.800 -0.099 0.000 2.160 843 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 843 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 843 G C -0.042 174.840 174.900 -0.030 0.000 1.008 843 G CA 0.283 45.371 45.100 -0.020 0.000 0.724 843 G HN 0.075 nan 8.290 nan 0.000 0.514 844 K N 0.365 120.700 120.400 -0.109 0.000 2.295 844 K HA 0.212 4.531 4.320 -0.000 0.000 0.270 844 K C 0.832 177.505 176.600 0.121 0.000 1.011 844 K CA -0.467 55.812 56.287 -0.014 0.000 0.953 844 K CB 0.616 33.083 32.500 -0.055 0.000 0.956 844 K HN 0.536 nan 8.250 nan 0.000 0.477 845 Q N 1.044 120.886 119.800 0.070 0.000 2.263 845 Q HA 0.069 4.409 4.340 -0.000 0.000 0.289 845 Q C -0.724 175.244 176.000 -0.054 0.000 1.061 845 Q CA -0.067 55.732 55.803 -0.006 0.000 0.927 845 Q CB 0.564 29.298 28.738 -0.007 0.000 1.154 845 Q HN 0.601 nan 8.270 nan 0.000 0.378 846 A N 3.283 125.862 122.820 -0.402 0.000 2.388 846 A HA 0.601 4.921 4.320 -0.000 0.000 0.257 846 A C -0.666 176.507 177.584 -0.686 0.000 1.095 846 A CA 0.236 51.789 52.037 -0.807 0.000 0.791 846 A CB 0.714 18.811 19.000 -1.504 0.000 1.029 846 A HN 0.786 nan 8.150 nan 0.000 0.489 847 A N 2.330 124.838 122.820 -0.519 0.000 2.446 847 A HA 0.590 4.909 4.320 -0.000 0.000 0.282 847 A C -1.058 176.339 177.584 -0.311 0.000 1.102 847 A CA -0.333 51.481 52.037 -0.372 0.000 0.737 847 A CB 1.066 19.950 19.000 -0.194 0.000 1.212 847 A HN 1.136 nan 8.150 nan 0.000 0.434 848 V N 2.751 122.490 119.914 -0.292 0.000 2.444 848 V HA 0.449 4.569 4.120 -0.000 0.000 0.294 848 V C 0.097 176.074 176.094 -0.196 0.000 1.022 848 V CA -0.670 61.518 62.300 -0.186 0.000 0.850 848 V CB 1.684 33.439 31.823 -0.114 0.000 0.992 848 V HN 0.891 nan 8.190 nan 0.000 0.426 849 K N 4.630 124.970 120.400 -0.101 0.000 2.130 849 K HA 0.675 4.995 4.320 -0.000 0.000 0.268 849 K C -1.020 175.526 176.600 -0.088 0.000 0.983 849 K CA -0.622 55.602 56.287 -0.107 0.000 0.893 849 K CB 1.218 33.732 32.500 0.023 0.000 1.066 849 K HN 0.666 nan 8.250 nan 0.000 0.450 850 I N 4.592 125.089 120.570 -0.121 0.000 2.464 850 I HA 0.085 4.255 4.170 -0.000 0.000 0.277 850 I C 0.699 176.776 176.117 -0.067 0.000 1.040 850 I CA -0.479 60.726 61.300 -0.160 0.000 1.153 850 I CB 1.673 39.432 38.000 -0.402 0.000 1.274 850 I HN 0.777 nan 8.210 nan 0.000 0.469 851 T N 3.500 118.034 114.554 -0.034 0.000 2.812 851 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 851 T C 1.273 175.973 174.700 0.000 0.000 1.042 851 T CA 1.060 63.160 62.100 0.000 0.000 1.140 851 T CB 0.102 68.977 68.868 0.011 0.000 0.870 851 T HN 0.639 nan 8.240 nan 0.000 0.445 852 A N 0.636 123.443 122.820 -0.022 0.000 3.056 852 A HA 0.631 4.951 4.320 -0.000 0.000 0.274 852 A C 1.279 178.906 177.584 0.072 0.000 1.661 852 A CA 0.196 52.236 52.037 0.004 0.000 1.363 852 A CB -0.883 18.088 19.000 -0.049 0.000 1.139 852 A HN 0.551 nan 8.150 nan 0.000 0.598 853 G N -0.289 108.580 108.800 0.115 0.000 3.685 853 G HA2 0.441 4.401 3.960 -0.000 0.000 0.215 853 G HA3 0.441 4.401 3.960 -0.000 0.000 0.215 853 G C 0.836 175.911 174.900 0.290 0.000 0.987 853 G CA 0.669 45.930 45.100 0.268 0.000 0.884 853 G HN 2.310 nan 8.290 nan 0.000 0.406 854 G N 0.072 108.983 108.800 0.185 0.000 3.439 854 G HA2 0.375 4.335 3.960 -0.000 0.000 0.684 854 G HA3 0.375 4.335 3.960 -0.000 0.000 0.684 854 G C 0.856 175.897 174.900 0.235 0.000 1.005 854 G CA 0.807 45.995 45.100 0.148 0.000 0.837 854 G HN 1.745 nan 8.290 nan 0.000 0.470 855 A N 2.581 125.453 122.820 0.086 0.000 2.066 855 A HA 0.018 4.337 4.320 -0.000 0.000 0.218 855 A C 2.369 180.052 177.584 0.164 0.000 1.157 855 A CA 2.001 54.083 52.037 0.076 0.000 0.670 855 A CB -0.141 18.808 19.000 -0.087 0.000 0.804 855 A HN 1.440 nan 8.150 nan 0.000 0.453 856 Q N 0.295 120.154 119.800 0.097 0.000 2.364 856 Q HA -0.143 4.196 4.340 -0.000 0.000 0.209 856 Q C 0.205 176.247 176.000 0.071 0.000 0.977 856 Q CA 1.422 57.262 55.803 0.062 0.000 0.885 856 Q CB -0.626 28.130 28.738 0.031 0.000 0.941 856 Q HN 0.607 nan 8.270 nan 0.000 0.464 857 N N -0.401 118.370 118.700 0.118 0.000 2.270 857 N HA 0.114 4.854 4.740 -0.000 0.000 0.198 857 N C -0.642 174.755 175.510 -0.188 0.000 1.117 857 N CA 0.159 53.184 53.050 -0.041 0.000 0.845 857 N CB 0.221 38.641 38.487 -0.112 0.000 0.980 857 N HN 0.273 nan 8.380 nan 0.000 0.486 858 Y N 0.645 120.935 120.300 -0.016 0.000 2.630 858 Y HA 0.367 4.916 4.550 -0.000 0.000 0.337 858 Y C 0.454 176.333 175.900 -0.034 0.000 1.051 858 Y CA -1.142 56.948 58.100 -0.018 0.000 1.121 858 Y CB 1.441 39.894 38.460 -0.011 0.000 1.299 858 Y HN -0.059 nan 8.280 nan 0.000 0.498 859 E N -0.667 119.609 120.200 0.126 0.000 2.408 859 E HA 0.729 5.079 4.350 -0.000 0.000 0.275 859 E C -2.140 174.453 176.600 -0.012 0.000 0.935 859 E CA -1.050 55.364 56.400 0.024 0.000 0.775 859 E CB 2.319 32.015 29.700 -0.006 0.000 1.277 859 E HN 0.295 nan 8.360 nan 0.000 0.455 860 V N 1.187 121.035 119.914 -0.109 0.000 2.555 860 V HA 0.509 4.628 4.120 -0.000 0.000 0.302 860 V C -0.404 175.617 176.094 -0.122 0.000 1.038 860 V CA -0.798 61.381 62.300 -0.202 0.000 0.887 860 V CB 1.426 32.888 31.823 -0.602 0.000 0.991 860 V HN 0.596 nan 8.190 nan 0.000 0.434 861 K N 2.507 122.879 120.400 -0.047 0.000 2.426 861 K HA 0.448 4.768 4.320 -0.000 0.000 0.251 861 K C -0.854 175.760 176.600 0.023 0.000 0.941 861 K CA -0.904 55.378 56.287 -0.008 0.000 0.808 861 K CB 2.200 34.695 32.500 -0.009 0.000 1.265 861 K HN 0.585 nan 8.250 nan 0.000 0.432 862 N N 1.713 120.417 118.700 0.007 0.000 2.949 862 N HA 0.204 4.943 4.740 -0.000 0.000 0.243 862 N C 0.366 175.829 175.510 -0.078 0.000 1.113 862 N CA 0.988 53.974 53.050 -0.107 0.000 0.980 862 N CB 0.106 38.521 38.487 -0.121 0.000 1.256 862 N HN 0.868 nan 8.380 nan 0.000 0.508 863 G N 3.802 112.562 108.800 -0.067 0.000 2.557 863 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.292 863 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.292 863 G C 0.567 175.453 174.900 -0.023 0.000 1.162 863 G CA 0.631 45.706 45.100 -0.041 0.000 0.964 863 G HN 0.602 nan 8.290 nan 0.000 0.541 864 D N 0.553 120.942 120.400 -0.018 0.000 2.234 864 D HA 0.114 4.754 4.640 -0.000 0.000 0.205 864 D C 1.385 177.681 176.300 -0.007 0.000 0.962 864 D CA 1.535 55.529 54.000 -0.011 0.000 0.855 864 D CB -1.044 39.751 40.800 -0.008 0.000 0.951 864 D HN 0.584 nan 8.370 nan 0.000 0.500 865 T N 1.236 115.786 114.554 -0.006 0.000 2.817 865 T HA 0.441 4.791 4.350 -0.000 0.000 0.295 865 T C 0.331 175.034 174.700 0.005 0.000 0.958 865 T CA -0.174 61.929 62.100 0.004 0.000 1.157 865 T CB 0.899 69.776 68.868 0.015 0.000 0.898 865 T HN 0.323 nan 8.240 nan 0.000 0.536 866 A N 4.141 126.962 122.820 0.002 0.000 2.409 866 A HA 0.482 4.801 4.320 -0.000 0.000 0.267 866 A C 0.281 177.861 177.584 -0.006 0.000 1.127 866 A CA -0.572 51.460 52.037 -0.009 0.000 0.795 866 A CB 0.144 19.138 19.000 -0.010 0.000 1.061 866 A HN 0.711 nan 8.150 nan 0.000 0.502 867 V N 3.350 123.243 119.914 -0.035 0.000 2.465 867 V HA 0.120 4.239 4.120 -0.000 0.000 0.279 867 V C 0.839 176.896 176.094 -0.063 0.000 1.045 867 V CA -0.632 61.639 62.300 -0.049 0.000 0.938 867 V CB 1.353 33.088 31.823 -0.147 0.000 0.986 867 V HN 0.907 nan 8.190 nan 0.000 0.467 868 N N 3.881 122.573 118.700 -0.013 0.000 3.210 868 N HA 0.160 4.900 4.740 -0.000 0.000 0.314 868 N C 0.268 175.786 175.510 0.014 0.000 1.291 868 N CA -0.035 53.015 53.050 0.001 0.000 1.202 868 N CB -0.099 38.402 38.487 0.022 0.000 1.475 868 N HN 0.841 nan 8.380 nan 0.000 0.554 869 A N 1.772 124.576 122.820 -0.026 0.000 2.477 869 A HA 0.190 4.510 4.320 -0.000 0.000 0.246 869 A C 0.354 177.958 177.584 0.034 0.000 1.078 869 A CA -0.006 52.051 52.037 0.033 0.000 0.770 869 A CB 0.372 19.345 19.000 -0.045 0.000 1.011 869 A HN 0.257 nan 8.150 nan 0.000 0.494 870 K N 1.788 122.219 120.400 0.052 0.000 2.156 870 K HA 0.408 4.728 4.320 -0.000 0.000 0.271 870 K C -0.714 175.874 176.600 -0.020 0.000 0.995 870 K CA -0.519 55.778 56.287 0.017 0.000 0.890 870 K CB 1.668 34.184 32.500 0.026 0.000 1.073 870 K HN 0.369 nan 8.250 nan 0.000 0.454 871 V N 3.786 123.683 119.914 -0.027 0.000 2.432 871 V HA 0.171 4.291 4.120 -0.000 0.000 0.271 871 V C 0.231 176.284 176.094 -0.069 0.000 1.046 871 V CA -0.758 61.507 62.300 -0.058 0.000 0.945 871 V CB 1.043 32.849 31.823 -0.029 0.000 0.992 871 V HN 0.529 nan 8.190 nan 0.000 0.471 872 V N 2.490 122.314 119.914 -0.150 0.000 2.667 872 V HA 1.007 5.126 4.120 -0.000 0.000 0.308 872 V C -0.126 175.941 176.094 -0.045 0.000 1.048 872 V CA -0.239 62.000 62.300 -0.101 0.000 0.928 872 V CB 1.941 33.668 31.823 -0.160 0.000 1.004 872 V HN 0.909 nan 8.190 nan 0.000 0.444 873 T N 1.006 115.627 114.554 0.112 0.000 2.906 873 T HA 0.639 4.989 4.350 -0.000 0.000 0.295 873 T C -0.575 174.264 174.700 0.232 0.000 1.075 873 T CA -0.604 61.624 62.100 0.213 0.000 1.005 873 T CB 1.961 70.885 68.868 0.094 0.000 1.136 873 T HN 1.257 nan 8.240 nan 0.000 0.498 874 N N 0.999 119.778 118.700 0.132 0.000 2.530 874 N HA 0.561 5.300 4.740 -0.000 0.000 0.283 874 N C 1.527 176.977 175.510 -0.099 0.000 1.238 874 N CA -0.361 52.582 53.050 -0.179 0.000 0.971 874 N CB 0.404 38.466 38.487 -0.708 0.000 1.195 874 N HN 0.799 nan 8.380 nan 0.000 0.583 875 A N -0.519 122.224 122.820 -0.128 0.000 1.986 875 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 875 A C 0.954 178.498 177.584 -0.066 0.000 1.171 875 A CA 1.714 53.702 52.037 -0.081 0.000 0.640 875 A CB -0.735 18.214 19.000 -0.085 0.000 0.811 875 A HN 0.712 nan 8.150 nan 0.000 0.451 876 D N -1.409 118.940 120.400 -0.085 0.000 2.349 876 D HA 0.277 4.917 4.640 -0.000 0.000 0.224 876 D C 1.379 177.666 176.300 -0.022 0.000 1.029 876 D CA 1.064 55.032 54.000 -0.053 0.000 0.879 876 D CB -0.073 40.689 40.800 -0.063 0.000 0.906 876 D HN 0.597 nan 8.370 nan 0.000 0.528 877 G N 0.141 108.934 108.800 -0.012 0.000 2.143 877 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.249 877 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.249 877 G C 0.544 175.470 174.900 0.043 0.000 0.981 877 G CA 0.248 45.358 45.100 0.017 0.000 0.665 877 G HN 0.613 nan 8.290 nan 0.000 0.528 878 A N -0.452 122.409 122.820 0.067 0.000 2.304 878 A HA 0.842 5.162 4.320 -0.000 0.000 0.271 878 A C 0.560 178.250 177.584 0.176 0.000 1.091 878 A CA 0.715 52.820 52.037 0.114 0.000 0.812 878 A CB 0.966 20.052 19.000 0.142 0.000 1.056 878 A HN 1.028 nan 8.150 nan 0.000 0.489 879 S N -0.050 115.684 115.700 0.056 0.000 2.542 879 S HA 0.672 5.142 4.470 -0.000 0.000 0.293 879 S C -0.785 173.627 174.600 -0.314 0.000 1.089 879 S CA -0.443 57.711 58.200 -0.076 0.000 0.961 879 S CB 1.080 64.254 63.200 -0.043 0.000 1.062 879 S HN 0.541 nan 8.310 nan 0.000 0.483 880 L N 2.454 123.337 121.223 -0.566 0.000 2.342 880 L HA 0.576 4.916 4.340 -0.000 0.000 0.271 880 L C -0.972 175.671 176.870 -0.379 0.000 1.008 880 L CA -0.849 53.609 54.840 -0.638 0.000 0.818 880 L CB 1.309 42.687 42.059 -1.134 0.000 1.296 880 L HN 0.400 nan 8.230 nan 0.000 0.427 881 L N 3.550 124.631 121.223 -0.237 0.000 2.265 881 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 881 L C -0.184 176.648 176.870 -0.063 0.000 1.058 881 L CA -0.522 54.277 54.840 -0.068 0.000 0.809 881 L CB 1.646 43.740 42.059 0.059 0.000 1.179 881 L HN 0.382 nan 8.230 nan 0.000 0.429 882 V N 4.036 123.922 119.914 -0.046 0.000 2.628 882 V HA 0.796 4.916 4.120 -0.000 0.000 0.306 882 V C -0.932 175.235 176.094 0.121 0.000 1.045 882 V CA -0.423 61.815 62.300 -0.102 0.000 0.905 882 V CB 1.622 33.332 31.823 -0.188 0.000 0.997 882 V HN 0.604 nan 8.190 nan 0.000 0.436 883 F N 1.674 121.558 119.950 -0.110 0.000 2.688 883 F HA 0.666 5.193 4.527 -0.000 0.000 0.308 883 F C -0.854 174.882 175.800 -0.107 0.000 1.117 883 F CA -1.061 56.874 58.000 -0.107 0.000 0.976 883 F CB 0.722 39.632 39.000 -0.151 0.000 1.291 883 F HN 0.454 nan 8.300 nan 0.000 0.439 884 D N 1.647 122.087 120.400 0.067 0.000 2.382 884 D HA 0.429 5.069 4.640 -0.000 0.000 0.240 884 D C 0.210 176.523 176.300 0.022 0.000 1.146 884 D CA 0.492 54.504 54.000 0.020 0.000 0.897 884 D CB 1.666 42.505 40.800 0.064 0.000 1.197 884 D HN 0.844 nan 8.370 nan 0.000 0.432 885 T N -2.478 112.090 114.554 0.024 0.000 2.901 885 T HA 0.632 4.982 4.350 -0.000 0.000 0.293 885 T C -0.363 174.452 174.700 0.192 0.000 1.084 885 T CA -0.797 61.366 62.100 0.105 0.000 1.008 885 T CB 1.671 70.602 68.868 0.106 0.000 1.170 885 T HN 0.115 nan 8.240 nan 0.000 0.509 886 T N 1.690 116.430 114.554 0.311 0.000 2.829 886 T HA 0.712 5.061 4.350 -0.000 0.000 0.280 886 T C 0.297 175.099 174.700 0.170 0.000 0.999 886 T CA -0.441 61.778 62.100 0.197 0.000 0.983 886 T CB 1.167 70.145 68.868 0.184 0.000 0.968 886 T HN 1.073 nan 8.240 nan 0.000 0.446 887 A N 1.666 124.538 122.820 0.087 0.000 2.567 887 A HA 0.489 4.808 4.320 -0.000 0.000 0.240 887 A C 1.578 179.195 177.584 0.054 0.000 1.053 887 A CA 0.656 52.722 52.037 0.048 0.000 0.755 887 A CB -0.917 18.091 19.000 0.015 0.000 0.978 887 A HN 1.696 nan 8.150 nan 0.000 0.507 888 G N 2.057 110.887 108.800 0.050 0.000 2.195 888 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.246 888 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.246 888 G C 0.393 175.310 174.900 0.029 0.000 0.984 888 G CA 0.456 45.578 45.100 0.037 0.000 0.633 888 G HN 1.216 nan 8.290 nan 0.000 0.525 889 T N 1.851 116.432 114.554 0.046 0.000 2.837 889 T HA 0.585 4.935 4.350 -0.000 0.000 0.285 889 T C 0.134 174.766 174.700 -0.113 0.000 0.984 889 T CA 0.312 62.363 62.100 -0.081 0.000 1.049 889 T CB 1.696 70.475 68.868 -0.149 0.000 0.947 889 T HN 0.185 nan 8.240 nan 0.000 0.472 890 T N 3.548 117.977 114.554 -0.208 0.000 2.767 890 T HA 0.433 4.783 4.350 -0.000 0.000 0.288 890 T C -0.842 173.671 174.700 -0.311 0.000 0.963 890 T CA -0.331 61.703 62.100 -0.110 0.000 1.019 890 T CB 0.130 68.987 68.868 -0.018 0.000 0.923 890 T HN 0.387 nan 8.240 nan 0.000 0.468 891 Y N 1.282 121.659 120.300 0.128 0.000 2.341 891 Y HA 0.430 4.979 4.550 -0.000 0.000 0.337 891 Y C 0.992 176.926 175.900 0.056 0.000 1.014 891 Y CA -0.906 57.246 58.100 0.086 0.000 1.111 891 Y CB 1.400 39.953 38.460 0.154 0.000 1.194 891 Y HN 0.473 nan 8.280 nan 0.000 0.462 892 T N 5.286 119.910 114.554 0.116 0.000 2.758 892 T HA 0.553 4.903 4.350 -0.000 0.000 0.285 892 T C -0.298 174.443 174.700 0.069 0.000 0.981 892 T CA -0.504 61.645 62.100 0.082 0.000 0.965 892 T CB 0.193 69.087 68.868 0.044 0.000 0.927 892 T HN 0.374 nan 8.240 nan 0.000 0.448 893 I N 4.117 124.738 120.570 0.084 0.000 2.362 893 I HA 0.474 4.643 4.170 -0.000 0.000 0.289 893 I C 0.517 176.740 176.117 0.177 0.000 0.994 893 I CA -0.596 60.758 61.300 0.090 0.000 1.158 893 I CB 1.513 39.541 38.000 0.047 0.000 1.315 893 I HN 0.673 nan 8.210 nan 0.000 0.451 894 T N 1.633 116.322 114.554 0.224 0.000 2.896 894 T HA 0.476 4.825 4.350 -0.000 0.000 0.297 894 T C -0.559 174.230 174.700 0.149 0.000 1.108 894 T CA -1.129 61.106 62.100 0.224 0.000 1.004 894 T CB 2.013 70.936 68.868 0.093 0.000 1.159 894 T HN 0.379 nan 8.240 nan 0.000 0.499 895 K N 1.476 121.830 120.400 -0.077 0.000 2.382 895 K HA 0.272 4.592 4.320 -0.000 0.000 0.275 895 K C 0.310 176.796 176.600 -0.190 0.000 1.009 895 K CA -0.156 55.881 56.287 -0.416 0.000 0.970 895 K CB 0.331 32.567 32.500 -0.439 0.000 0.934 895 K HN 0.580 nan 8.250 nan 0.000 0.479 896 K N 0.000 120.286 120.400 -0.189 0.000 2.780 896 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 896 K CA 0.000 56.228 56.287 -0.098 0.000 0.838 896 K CB 0.000 32.450 32.500 -0.083 0.000 1.064 896 K HN 0.000 nan 8.250 nan 0.000 0.543