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 2qqw_1_A DATA FIRST_RESID 5 DATA SEQUENCE NQPYRTGFHF QPPKNWMNAP NGPMIYKGIY HLFYQWNPKG AVWGNIVWAH DATA SEQUENCE STSTDLINWD PHPPAIFPSA PFDINGCWSG SATILPNGKP VILYTGIDPK DATA SEQUENCE NQQVQNIAEP KNLSDPYLRE WKKSPLNPLM APDAVNGINA SSFRDPTTAW DATA SEQUENCE LGQDKKWRVI IGSKIHRRGL AITYTSKDFL KWEKSPEPLH YDDGSGMWEC DATA SEQUENCE PDFFPVTRFG SNGVETSSFG EPNEILKHVL KISLDDTKHD YYTIGTYDRV DATA SEQUENCE KDKFVPDNGF XXXGTAPRYD YGKYYASKTF FDSAKNRRIL WGWTNESSSV DATA SEQUENCE EDDVEKGWSG IQTIPRKIWL DRSGKQLIQW PVREVERLRT KQVKNLRNKV DATA SEQUENCE LKSGSRLEVY GVTAAQADVE VLFKVRDLEK ADVIEPSWTD PQLIcSKMNV DATA SEQUENCE SVKSGLGPFG LMVLASKNLE EYTSVYFRIF KARQNSNKYV VLMcSDQSRS DATA SEQUENCE SLKEDNDKTT YGAFVDINPH QPLSLRALID HSVVESFGGK GRACITSRVY DATA SEQUENCE PKLAIGKSSH LFAFNYGYQS VDVLNLNAWS MNSAQIS 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.508 175.510 -0.004 0.000 1.280 5 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 5 N CB 0.000 38.472 38.487 -0.026 0.000 1.341 6 Q N 2.165 121.952 119.800 -0.022 0.000 2.965 6 Q HA 0.308 4.643 4.340 -0.009 0.000 0.288 6 Q C -1.771 174.180 176.000 -0.080 0.000 0.974 6 Q CA -1.181 54.632 55.803 0.016 0.000 0.849 6 Q CB 1.730 30.505 28.738 0.062 0.000 1.280 6 Q HN 0.476 nan 8.270 nan 0.000 0.441 7 P HA -0.101 nan 4.420 nan 0.000 0.226 7 P C 0.388 177.570 177.300 -0.196 0.000 1.153 7 P CA 1.079 64.002 63.100 -0.296 0.000 0.777 7 P CB 0.259 31.673 31.700 -0.477 0.000 0.794 8 Y N -0.561 119.871 120.300 0.220 0.000 2.458 8 Y HA 0.245 4.787 4.550 -0.013 0.000 0.254 8 Y C 1.493 177.585 175.900 0.320 0.000 1.120 8 Y CA -0.812 57.495 58.100 0.346 0.000 1.282 8 Y CB -0.537 38.242 38.460 0.531 0.000 1.109 8 Y HN -0.210 nan 8.280 nan 0.000 0.526 9 R N 1.459 122.096 120.500 0.228 0.000 2.570 9 R HA 0.115 4.449 4.340 -0.009 0.000 0.277 9 R C 0.546 176.731 176.300 -0.192 0.000 1.039 9 R CA 0.369 56.342 56.100 -0.211 0.000 1.065 9 R CB 0.294 30.380 30.300 -0.356 0.000 0.964 9 R HN 0.179 nan 8.270 nan 0.000 0.428 10 T N -0.810 113.626 114.554 -0.196 0.000 2.910 10 T HA 0.227 4.571 4.350 -0.009 0.000 0.293 10 T C 1.259 175.930 174.700 -0.048 0.000 1.015 10 T CA -0.569 61.492 62.100 -0.065 0.000 1.094 10 T CB 1.783 70.577 68.868 -0.123 0.000 0.968 10 T HN 0.636 nan 8.240 nan 0.000 0.521 11 G N 0.212 109.085 108.800 0.120 0.000 2.744 11 G HA2 0.232 4.186 3.960 -0.009 0.000 0.211 11 G HA3 0.232 4.186 3.960 -0.009 0.000 0.211 11 G C 0.460 175.518 174.900 0.263 0.000 1.146 11 G CA -0.069 45.140 45.100 0.181 0.000 0.787 11 G HN 0.925 nan 8.290 nan 0.000 0.534 12 F N -1.812 118.211 119.950 0.123 0.000 2.993 12 F HA 0.516 5.038 4.527 -0.008 0.000 0.338 12 F C -0.299 175.512 175.800 0.019 0.000 1.199 12 F CA -1.294 56.744 58.000 0.063 0.000 1.069 12 F CB -0.250 38.762 39.000 0.021 0.000 1.294 12 F HN -0.106 nan 8.300 nan 0.000 0.513 13 H N 0.983 119.926 119.070 -0.211 0.000 2.479 13 H HA 0.381 4.932 4.556 -0.009 0.000 0.335 13 H C -0.934 174.375 175.328 -0.032 0.000 1.142 13 H CA -0.833 55.156 56.048 -0.099 0.000 1.234 13 H CB 1.254 30.907 29.762 -0.182 0.000 1.503 13 H HN 0.210 nan 8.280 nan 0.000 0.510 14 F N 3.584 123.545 119.950 0.018 0.000 2.541 14 F HA 0.139 4.661 4.527 -0.009 0.000 0.378 14 F C -0.112 175.560 175.800 -0.214 0.000 1.068 14 F CA 0.140 58.047 58.000 -0.154 0.000 1.199 14 F CB -0.002 38.801 39.000 -0.329 0.000 1.091 14 F HN 0.519 nan 8.300 nan 0.000 0.555 15 Q N 7.073 126.270 119.800 -1.006 0.000 2.426 15 Q HA 0.484 4.818 4.340 -0.009 0.000 0.278 15 Q C -3.135 172.295 176.000 -0.950 0.000 1.007 15 Q CA -2.374 52.949 55.803 -0.800 0.000 0.850 15 Q CB 1.952 30.423 28.738 -0.444 0.000 1.427 15 Q HN 0.271 nan 8.270 nan 0.000 0.391 16 P HA 0.077 nan 4.420 nan 0.000 0.269 16 P C -1.991 175.151 177.300 -0.263 0.000 1.217 16 P CA -0.904 61.949 63.100 -0.412 0.000 0.783 16 P CB 0.081 31.708 31.700 -0.123 0.000 0.898 17 P HA -0.146 nan 4.420 nan 0.000 0.218 17 P C 0.224 177.513 177.300 -0.018 0.000 1.146 17 P CA 2.018 65.044 63.100 -0.123 0.000 0.813 17 P CB 0.015 31.673 31.700 -0.071 0.000 0.778 18 K N -4.563 115.927 120.400 0.151 0.000 2.615 18 K HA 0.416 4.730 4.320 -0.009 0.000 0.291 18 K C -0.848 176.042 176.600 0.483 0.000 1.017 18 K CA -0.984 55.475 56.287 0.287 0.000 0.882 18 K CB 0.913 33.567 32.500 0.256 0.000 1.522 18 K HN -0.315 nan 8.250 nan 0.000 0.412 19 N N -0.984 117.966 118.700 0.417 0.000 6.901 19 N HA -0.205 4.530 4.740 -0.009 0.000 0.422 19 N C -1.430 174.298 175.510 0.364 0.000 0.947 19 N CA 0.654 53.879 53.050 0.292 0.000 1.386 19 N CB -0.563 37.921 38.487 -0.005 0.000 0.815 19 N HN 0.752 nan 8.380 nan 0.000 0.301 20 W N 2.285 123.586 121.300 0.002 0.000 2.266 20 W HA 0.546 5.199 4.660 -0.012 0.000 0.317 20 W C -0.431 176.203 176.519 0.191 0.000 1.310 20 W CA -0.153 57.234 57.345 0.070 0.000 1.207 20 W CB 0.322 29.750 29.460 -0.053 0.000 1.199 20 W HN 0.544 nan 8.180 nan 0.000 0.544 21 M N 8.104 127.369 119.600 -0.558 0.000 2.393 21 M HA 0.202 4.677 4.480 -0.009 0.000 0.299 21 M C -0.429 175.236 176.300 -1.058 0.000 1.103 21 M CA -0.428 54.604 55.300 -0.446 0.000 0.910 21 M CB 1.553 34.108 32.600 -0.074 0.000 1.659 21 M HN 0.646 nan 8.290 nan 0.000 0.445 22 N N 3.051 121.210 118.700 -0.902 0.000 3.293 22 N HA 0.485 5.219 4.740 -0.009 0.000 0.301 22 N C -0.359 174.456 175.510 -1.159 0.000 1.491 22 N CA -0.386 51.597 53.050 -1.779 0.000 0.769 22 N CB -0.219 37.342 38.487 -1.544 0.000 2.393 22 N HN 0.698 nan 8.380 nan 0.000 0.487 23 A N 1.948 124.295 122.820 -0.789 0.000 2.598 23 A HA 0.189 4.503 4.320 -0.009 0.000 0.239 23 A C -2.084 175.329 177.584 -0.286 0.000 1.032 23 A CA -0.357 51.481 52.037 -0.332 0.000 0.760 23 A CB -0.920 17.973 19.000 -0.179 0.000 0.946 23 A HN 0.511 nan 8.150 nan 0.000 0.512 24 P HA 0.110 nan 4.420 nan 0.000 0.271 24 P C -0.777 176.301 177.300 -0.370 0.000 1.216 24 P CA 0.010 62.904 63.100 -0.343 0.000 0.771 24 P CB 0.491 31.998 31.700 -0.321 0.000 0.864 25 N N 0.397 118.786 118.700 -0.519 0.000 2.272 25 N HA 0.463 5.197 4.740 -0.009 0.000 0.305 25 N C 0.317 175.571 175.510 -0.428 0.000 1.103 25 N CA -0.733 51.886 53.050 -0.719 0.000 0.791 25 N CB 0.999 38.437 38.487 -1.748 0.000 1.356 25 N HN 0.527 nan 8.380 nan 0.000 0.486 26 G N 1.735 110.391 108.800 -0.240 0.000 2.441 26 G HA2 -0.205 3.750 3.960 -0.009 0.000 0.298 26 G HA3 -0.205 3.750 3.960 -0.009 0.000 0.298 26 G C -2.386 172.610 174.900 0.160 0.000 0.949 26 G CA -0.426 44.704 45.100 0.050 0.000 1.072 26 G HN 0.422 nan 8.290 nan 0.000 0.512 27 P HA 0.476 nan 4.420 nan 0.000 0.274 27 P C 0.349 177.547 177.300 -0.170 0.000 1.231 27 P CA -0.020 63.003 63.100 -0.129 0.000 0.790 27 P CB 1.111 32.733 31.700 -0.131 0.000 0.951 28 M N 0.449 119.814 119.600 -0.392 0.000 3.069 28 M HA 0.537 5.011 4.480 -0.009 0.000 0.274 28 M C -1.798 174.500 176.300 -0.003 0.000 1.146 28 M CA -1.051 54.180 55.300 -0.115 0.000 0.807 28 M CB 1.780 34.478 32.600 0.165 0.000 1.621 28 M HN 0.145 nan 8.290 nan 0.000 0.521 29 I N 1.449 122.154 120.570 0.225 0.000 2.498 29 I HA 0.701 4.865 4.170 -0.009 0.000 0.290 29 I C -2.220 174.050 176.117 0.255 0.000 1.032 29 I CA -0.545 60.857 61.300 0.170 0.000 1.073 29 I CB 1.896 39.895 38.000 -0.001 0.000 1.251 29 I HN 0.738 nan 8.210 nan 0.000 0.426 30 Y N 7.124 127.490 120.300 0.110 0.000 2.386 30 Y HA 0.380 4.924 4.550 -0.009 0.000 0.334 30 Y C -0.264 175.657 175.900 0.034 0.000 1.002 30 Y CA -1.179 56.965 58.100 0.074 0.000 1.068 30 Y CB 1.225 39.727 38.460 0.069 0.000 1.203 30 Y HN 0.636 nan 8.280 nan 0.000 0.443 31 K N 4.593 124.680 120.400 -0.521 0.000 3.148 31 K HA -0.204 4.110 4.320 -0.009 0.000 0.267 31 K C 0.784 177.238 176.600 -0.244 0.000 0.996 31 K CA 0.984 57.004 56.287 -0.446 0.000 0.737 31 K CB -1.634 30.521 32.500 -0.575 0.000 1.308 31 K HN 1.408 nan 8.250 nan 0.000 0.470 32 G N 0.026 108.703 108.800 -0.205 0.000 2.258 32 G HA2 -0.298 3.656 3.960 -0.009 0.000 0.274 32 G HA3 -0.298 3.656 3.960 -0.009 0.000 0.274 32 G C 0.068 174.820 174.900 -0.247 0.000 1.021 32 G CA 0.709 45.678 45.100 -0.217 0.000 0.798 32 G HN 0.462 nan 8.290 nan 0.000 0.507 33 I N -0.287 120.161 120.570 -0.204 0.000 2.447 33 I HA 0.419 4.583 4.170 -0.009 0.000 0.287 33 I C -0.222 175.829 176.117 -0.111 0.000 1.023 33 I CA -1.302 59.906 61.300 -0.154 0.000 1.083 33 I CB 1.331 39.287 38.000 -0.074 0.000 1.245 33 I HN 0.043 nan 8.210 nan 0.000 0.434 34 Y N 5.124 125.422 120.300 -0.003 0.000 2.335 34 Y HA 0.299 4.843 4.550 -0.010 0.000 0.331 34 Y C 0.498 176.405 175.900 0.011 0.000 1.094 34 Y CA 0.006 58.147 58.100 0.069 0.000 1.253 34 Y CB 0.320 38.826 38.460 0.077 0.000 1.203 34 Y HN 0.405 nan 8.280 nan 0.000 0.508 35 H N 3.850 123.093 119.070 0.288 0.000 2.492 35 H HA 0.477 5.027 4.556 -0.010 0.000 0.345 35 H C -1.258 174.066 175.328 -0.007 0.000 1.136 35 H CA -0.937 55.226 56.048 0.192 0.000 1.202 35 H CB 2.581 32.428 29.762 0.142 0.000 1.524 35 H HN 0.481 nan 8.280 nan 0.000 0.506 36 L N 3.561 124.714 121.223 -0.118 0.000 2.381 36 L HA 0.401 4.735 4.340 -0.009 0.000 0.274 36 L C -1.630 174.925 176.870 -0.524 0.000 0.988 36 L CA -0.365 54.132 54.840 -0.573 0.000 0.824 36 L CB 0.808 42.080 42.059 -1.312 0.000 1.263 36 L HN 0.341 nan 8.230 nan 0.000 0.410 37 F N 4.415 124.185 119.950 -0.299 0.000 2.497 37 F HA 0.755 5.276 4.527 -0.011 0.000 0.331 37 F C -0.642 174.883 175.800 -0.458 0.000 1.060 37 F CA -0.414 57.379 58.000 -0.344 0.000 0.989 37 F CB 1.535 40.301 39.000 -0.390 0.000 1.245 37 F HN 0.492 nan 8.300 nan 0.000 0.486 38 Y N -1.777 118.311 120.300 -0.353 0.000 2.521 38 Y HA 0.344 4.887 4.550 -0.012 0.000 0.328 38 Y C -1.339 174.405 175.900 -0.260 0.000 1.151 38 Y CA -1.764 56.089 58.100 -0.412 0.000 1.054 38 Y CB 0.560 38.812 38.460 -0.346 0.000 1.338 38 Y HN 0.419 nan 8.280 nan 0.000 0.453 39 Q N 2.338 122.052 119.800 -0.144 0.000 2.242 39 Q HA -0.022 4.312 4.340 -0.009 0.000 0.284 39 Q C -1.416 174.730 176.000 0.243 0.000 1.130 39 Q CA 0.964 56.761 55.803 -0.009 0.000 0.940 39 Q CB 0.446 29.165 28.738 -0.033 0.000 1.146 39 Q HN 0.834 nan 8.270 nan 0.000 0.388 40 W N 3.484 124.789 121.300 0.009 0.000 2.844 40 W HA 0.281 4.941 4.660 -0.000 0.000 0.340 40 W C -0.632 175.926 176.519 0.065 0.000 1.093 40 W CA -0.979 56.427 57.345 0.101 0.000 1.212 40 W CB 1.328 30.804 29.460 0.027 0.000 1.422 40 W HN 0.373 nan 8.180 nan 0.000 0.515 41 N N 6.399 124.830 118.700 -0.447 0.000 2.546 41 N HA 0.287 5.022 4.740 -0.009 0.000 0.238 41 N C -1.609 173.202 175.510 -1.166 0.000 0.984 41 N CA -2.215 50.469 53.050 -0.609 0.000 0.935 41 N CB 1.952 40.210 38.487 -0.382 0.000 1.122 41 N HN 0.125 nan 8.380 nan 0.000 0.510 42 P HA -0.108 nan 4.420 nan 0.000 0.222 42 P C 0.627 177.612 177.300 -0.525 0.000 1.147 42 P CA 1.092 63.576 63.100 -1.026 0.000 0.790 42 P CB 0.672 32.184 31.700 -0.314 0.000 0.780 43 K N -0.271 119.902 120.400 -0.378 0.000 2.063 43 K HA 0.208 4.522 4.320 -0.009 0.000 0.204 43 K C 1.649 178.140 176.600 -0.180 0.000 1.039 43 K CA 1.073 57.229 56.287 -0.218 0.000 0.957 43 K CB -0.921 31.480 32.500 -0.166 0.000 0.764 43 K HN 0.165 nan 8.250 nan 0.000 0.447 44 G N -0.939 107.744 108.800 -0.196 0.000 3.175 44 G HA2 0.522 4.476 3.960 -0.009 0.000 0.255 44 G HA3 0.522 4.476 3.960 -0.009 0.000 0.255 44 G C -0.657 174.211 174.900 -0.053 0.000 1.352 44 G CA 0.007 45.040 45.100 -0.112 0.000 1.037 44 G HN 0.159 nan 8.290 nan 0.000 0.556 45 A N -0.792 122.045 122.820 0.030 0.000 2.574 45 A HA 0.579 4.893 4.320 -0.009 0.000 0.283 45 A C 0.485 178.222 177.584 0.254 0.000 1.270 45 A CA 0.369 52.511 52.037 0.174 0.000 0.945 45 A CB -0.580 18.497 19.000 0.129 0.000 1.127 45 A HN 1.505 nan 8.150 nan 0.000 0.522 46 V N -5.590 114.341 119.914 0.028 0.000 3.166 46 V HA 0.719 4.834 4.120 -0.009 0.000 0.317 46 V C -0.007 175.569 176.094 -0.864 0.000 1.136 46 V CA -1.730 60.426 62.300 -0.240 0.000 1.035 46 V CB 0.734 32.445 31.823 -0.188 0.000 1.110 46 V HN 0.424 nan 8.190 nan 0.000 0.450 47 W N 1.043 121.312 121.300 -1.717 0.000 2.264 47 W HA 0.554 5.207 4.660 -0.011 0.000 0.331 47 W C 0.521 176.630 176.519 -0.683 0.000 1.364 47 W CA 1.984 58.386 57.345 -1.573 0.000 1.253 47 W CB 0.183 28.961 29.460 -1.136 0.000 1.215 47 W HN 1.281 nan 8.180 nan 0.000 0.561 48 G N 3.545 111.671 108.800 -1.123 0.000 2.358 48 G HA2 0.103 4.057 3.960 -0.009 0.000 0.303 48 G HA3 0.103 4.057 3.960 -0.009 0.000 0.303 48 G C -0.636 173.867 174.900 -0.661 0.000 1.537 48 G CA -0.562 44.068 45.100 -0.785 0.000 0.928 48 G HN 0.821 nan 8.290 nan 0.000 0.656 49 N N -1.528 116.905 118.700 -0.445 0.000 2.725 49 N HA -0.214 4.520 4.740 -0.009 0.000 0.251 49 N C -0.007 175.350 175.510 -0.254 0.000 1.031 49 N CA 0.600 53.492 53.050 -0.262 0.000 0.720 49 N CB -0.742 37.621 38.487 -0.206 0.000 0.930 49 N HN 0.712 nan 8.380 nan 0.000 0.543 50 I N 1.302 121.679 120.570 -0.322 0.000 2.436 50 I HA 0.145 4.309 4.170 -0.009 0.000 0.289 50 I C 0.467 176.634 176.117 0.084 0.000 1.083 50 I CA -0.313 60.854 61.300 -0.223 0.000 1.372 50 I CB 0.462 38.212 38.000 -0.417 0.000 1.408 50 I HN 0.165 nan 8.210 nan 0.000 0.516 51 V N 4.557 124.560 119.914 0.147 0.000 3.046 51 V HA 0.566 4.681 4.120 -0.009 0.000 0.316 51 V C -1.092 175.209 176.094 0.345 0.000 1.104 51 V CA -0.906 61.565 62.300 0.285 0.000 1.006 51 V CB 1.653 33.649 31.823 0.288 0.000 1.058 51 V HN 0.641 nan 8.190 nan 0.000 0.440 52 W N 2.547 123.842 121.300 -0.009 0.000 2.365 52 W HA 0.754 5.407 4.660 -0.011 0.000 0.371 52 W C 0.761 177.212 176.519 -0.113 0.000 1.006 52 W CA 0.002 57.285 57.345 -0.102 0.000 1.528 52 W CB -0.069 29.250 29.460 -0.235 0.000 1.497 52 W HN 0.982 nan 8.180 nan 0.000 0.367 53 A N 2.815 125.483 122.820 -0.255 0.000 2.386 53 A HA 0.324 4.639 4.320 -0.009 0.000 0.246 53 A C -0.589 176.755 177.584 -0.400 0.000 1.089 53 A CA 0.135 51.854 52.037 -0.529 0.000 0.790 53 A CB 0.325 18.569 19.000 -1.260 0.000 1.042 53 A HN 0.700 nan 8.150 nan 0.000 0.497 54 H N -0.445 118.452 119.070 -0.288 0.000 2.947 54 H HA 0.571 5.121 4.556 -0.010 0.000 0.354 54 H C -1.338 173.978 175.328 -0.020 0.000 1.085 54 H CA -0.418 55.542 56.048 -0.148 0.000 1.253 54 H CB 1.522 31.323 29.762 0.065 0.000 1.757 54 H HN 0.653 nan 8.280 nan 0.000 0.523 55 S N 1.804 117.488 115.700 -0.027 0.000 2.588 55 S HA 0.447 4.911 4.470 -0.009 0.000 0.275 55 S C -0.955 173.723 174.600 0.131 0.000 1.130 55 S CA -0.603 57.603 58.200 0.010 0.000 0.855 55 S CB 2.137 65.491 63.200 0.256 0.000 1.116 55 S HN 0.774 nan 8.310 nan 0.000 0.472 56 T N -1.169 113.492 114.554 0.179 0.000 2.901 56 T HA 0.878 5.223 4.350 -0.009 0.000 0.293 56 T C -0.645 174.031 174.700 -0.039 0.000 1.084 56 T CA -0.818 61.353 62.100 0.119 0.000 1.008 56 T CB 1.749 70.674 68.868 0.095 0.000 1.170 56 T HN 0.531 nan 8.240 nan 0.000 0.509 57 S N -0.665 114.864 115.700 -0.284 0.000 2.565 57 S HA 0.580 5.045 4.470 -0.009 0.000 0.269 57 S C 0.588 175.087 174.600 -0.168 0.000 1.153 57 S CA 0.003 57.886 58.200 -0.528 0.000 0.835 57 S CB 1.535 63.816 63.200 -1.532 0.000 1.122 57 S HN 1.274 nan 8.310 nan 0.000 0.462 58 T N -0.829 113.647 114.554 -0.129 0.000 3.040 58 T HA 0.245 4.589 4.350 -0.009 0.000 0.250 58 T C 0.360 175.106 174.700 0.078 0.000 1.058 58 T CA 0.905 63.019 62.100 0.023 0.000 0.988 58 T CB -0.260 68.596 68.868 -0.020 0.000 0.993 58 T HN 0.655 nan 8.240 nan 0.000 0.519 59 D N 0.034 120.360 120.400 -0.122 0.000 2.516 59 D HA 0.188 4.822 4.640 -0.009 0.000 0.241 59 D C 1.112 177.207 176.300 -0.343 0.000 1.246 59 D CA -0.371 53.521 54.000 -0.180 0.000 0.808 59 D CB -0.563 40.147 40.800 -0.150 0.000 1.147 59 D HN 0.351 nan 8.370 nan 0.000 0.527 60 L N -0.501 120.406 121.223 -0.528 0.000 5.081 60 L HA -0.249 4.085 4.340 -0.009 0.000 0.423 60 L C 0.590 177.478 176.870 0.031 0.000 1.019 60 L CA 0.701 55.357 54.840 -0.307 0.000 1.223 60 L CB -1.126 40.753 42.059 -0.301 0.000 1.940 60 L HN 0.177 nan 8.230 nan 0.000 0.675 61 I N -1.379 119.094 120.570 -0.161 0.000 3.300 61 I HA 0.163 4.327 4.170 -0.009 0.000 0.279 61 I C 1.127 177.269 176.117 0.042 0.000 1.172 61 I CA 0.953 62.287 61.300 0.057 0.000 1.431 61 I CB -0.282 37.706 38.000 -0.021 0.000 1.240 61 I HN 0.177 nan 8.210 nan 0.000 0.453 62 N N 0.634 119.183 118.700 -0.250 0.000 2.421 62 N HA 0.240 4.974 4.740 -0.009 0.000 0.285 62 N C -1.506 173.751 175.510 -0.422 0.000 1.027 62 N CA -0.178 52.770 53.050 -0.170 0.000 0.918 62 N CB 1.490 39.905 38.487 -0.121 0.000 1.152 62 N HN 0.016 nan 8.380 nan 0.000 0.485 63 W N 0.680 122.009 121.300 0.048 0.000 2.739 63 W HA 0.331 4.986 4.660 -0.008 0.000 0.331 63 W C -0.471 176.014 176.519 -0.058 0.000 1.049 63 W CA -0.673 56.701 57.345 0.048 0.000 1.234 63 W CB 1.387 30.982 29.460 0.225 0.000 1.404 63 W HN 0.201 nan 8.180 nan 0.000 0.477 64 D N 4.454 124.878 120.400 0.040 0.000 2.193 64 D HA 0.294 4.928 4.640 -0.009 0.000 0.244 64 D C -2.178 173.874 176.300 -0.414 0.000 1.064 64 D CA -1.247 52.636 54.000 -0.195 0.000 0.845 64 D CB 1.716 42.340 40.800 -0.293 0.000 1.148 64 D HN -0.089 nan 8.370 nan 0.000 0.464 65 P HA 0.211 nan 4.420 nan 0.000 0.274 65 P C -0.625 176.274 177.300 -0.670 0.000 1.246 65 P CA -0.070 62.798 63.100 -0.385 0.000 0.795 65 P CB 1.298 32.868 31.700 -0.217 0.000 1.006 66 H N -1.676 117.323 119.070 -0.118 0.000 3.064 66 H HA 0.318 4.869 4.556 -0.009 0.000 0.352 66 H C -2.322 173.007 175.328 0.002 0.000 1.260 66 H CA -1.477 54.520 56.048 -0.086 0.000 1.160 66 H CB 1.075 30.734 29.762 -0.171 0.000 1.879 66 H HN 0.315 nan 8.280 nan 0.000 0.544 67 P HA 0.084 nan 4.420 nan 0.000 0.267 67 P C -2.562 174.881 177.300 0.238 0.000 1.200 67 P CA -1.070 62.124 63.100 0.157 0.000 0.772 67 P CB -0.492 31.301 31.700 0.154 0.000 0.855 68 P HA -0.087 nan 4.420 nan 0.000 0.263 68 P C 0.506 178.069 177.300 0.438 0.000 1.168 68 P CA 0.634 63.908 63.100 0.289 0.000 0.759 68 P CB 0.158 32.021 31.700 0.272 0.000 0.782 69 A N 3.942 126.980 122.820 0.363 0.000 1.956 69 A HA 0.161 4.475 4.320 -0.009 0.000 0.212 69 A C 0.776 178.276 177.584 -0.141 0.000 1.188 69 A CA 0.959 53.121 52.037 0.209 0.000 0.675 69 A CB -0.152 18.882 19.000 0.057 0.000 0.845 69 A HN 0.522 nan 8.150 nan 0.000 0.455 70 I N 0.956 121.372 120.570 -0.257 0.000 2.468 70 I HA 0.459 4.623 4.170 -0.009 0.000 0.284 70 I C -1.330 174.589 176.117 -0.329 0.000 1.038 70 I CA -0.606 60.280 61.300 -0.689 0.000 1.083 70 I CB 1.676 38.819 38.000 -1.429 0.000 1.223 70 I HN 0.332 nan 8.210 nan 0.000 0.443 71 F N 5.549 125.404 119.950 -0.159 0.000 2.626 71 F HA 0.752 5.274 4.527 -0.008 0.000 0.311 71 F C -2.825 172.946 175.800 -0.048 0.000 1.088 71 F CA -3.264 54.705 58.000 -0.051 0.000 0.949 71 F CB 0.495 39.495 39.000 0.001 0.000 1.322 71 F HN 0.069 nan 8.300 nan 0.000 0.461 72 P HA 0.074 nan 4.420 nan 0.000 0.258 72 P C -0.239 177.096 177.300 0.059 0.000 1.172 72 P CA 0.451 63.587 63.100 0.061 0.000 0.762 72 P CB 1.063 32.806 31.700 0.072 0.000 0.764 73 S N 0.738 116.384 115.700 -0.089 0.000 2.648 73 S HA 0.412 4.876 4.470 -0.009 0.000 0.270 73 S C 0.181 174.652 174.600 -0.216 0.000 1.034 73 S CA 0.143 58.286 58.200 -0.094 0.000 1.376 73 S CB 0.676 63.813 63.200 -0.105 0.000 1.227 73 S HN 0.734 nan 8.310 nan 0.000 0.676 74 A N 1.368 123.943 122.820 -0.408 0.000 2.593 74 A HA 0.790 5.104 4.320 -0.009 0.000 0.290 74 A C -2.637 174.584 177.584 -0.606 0.000 1.126 74 A CA -1.457 50.206 52.037 -0.624 0.000 0.695 74 A CB 0.243 18.522 19.000 -1.202 0.000 1.290 74 A HN -0.083 nan 8.150 nan 0.000 0.414 75 P HA -0.145 nan 4.420 nan 0.000 0.216 75 P C 1.041 178.211 177.300 -0.217 0.000 1.150 75 P CA 1.936 64.891 63.100 -0.242 0.000 0.843 75 P CB -0.185 31.454 31.700 -0.102 0.000 0.787 76 F N -0.557 119.351 119.950 -0.069 0.000 2.699 76 F HA 0.093 4.615 4.527 -0.009 0.000 0.298 76 F C 0.540 176.264 175.800 -0.128 0.000 1.154 76 F CA 0.667 58.601 58.000 -0.110 0.000 1.457 76 F CB -1.077 37.841 39.000 -0.136 0.000 1.106 76 F HN -0.009 nan 8.300 nan 0.000 0.585 77 D N -1.136 119.175 120.400 -0.148 0.000 2.615 77 D HA 0.020 4.654 4.640 -0.009 0.000 0.274 77 D C 1.161 177.421 176.300 -0.066 0.000 1.512 77 D CA -0.290 53.691 54.000 -0.031 0.000 0.803 77 D CB -1.405 39.492 40.800 0.162 0.000 1.182 77 D HN 0.208 nan 8.370 nan 0.000 0.473 78 I N 1.106 121.605 120.570 -0.118 0.000 2.335 78 I HA -0.147 4.018 4.170 -0.009 0.000 0.251 78 I C 0.857 176.960 176.117 -0.024 0.000 1.129 78 I CA 1.413 62.666 61.300 -0.079 0.000 1.402 78 I CB -0.160 37.785 38.000 -0.092 0.000 1.069 78 I HN 0.014 nan 8.210 nan 0.000 0.424 79 N N 0.693 119.380 118.700 -0.022 0.000 2.280 79 N HA 0.292 5.026 4.740 -0.009 0.000 0.192 79 N C 0.363 175.914 175.510 0.070 0.000 1.109 79 N CA 0.833 53.892 53.050 0.015 0.000 0.855 79 N CB 0.723 39.210 38.487 0.000 0.000 0.974 79 N HN 0.449 nan 8.380 nan 0.000 0.482 80 G N -0.593 108.249 108.800 0.070 0.000 2.352 80 G HA2 0.097 4.051 3.960 -0.009 0.000 0.305 80 G HA3 0.097 4.051 3.960 -0.009 0.000 0.305 80 G C -1.686 173.343 174.900 0.215 0.000 1.537 80 G CA -0.774 44.443 45.100 0.194 0.000 0.959 80 G HN 0.108 nan 8.290 nan 0.000 0.668 81 C N 1.739 121.278 119.300 0.399 0.000 2.492 81 C HA 0.577 5.032 4.460 -0.009 0.000 0.284 81 C C 0.302 175.751 174.990 0.765 0.000 1.082 81 C CA -1.085 58.199 59.018 0.444 0.000 1.555 81 C CB -1.494 26.340 27.740 0.157 0.000 1.798 81 C HN 0.554 nan 8.230 nan 0.000 0.413 82 W N 1.237 122.784 121.300 0.412 0.000 1.835 82 W HA 0.399 5.053 4.660 -0.010 0.000 0.458 82 W C 1.061 177.864 176.519 0.473 0.000 1.983 82 W CA -0.631 56.949 57.345 0.391 0.000 2.219 82 W CB -0.486 29.145 29.460 0.285 0.000 1.539 82 W HN 0.367 nan 8.180 nan 0.000 0.760 83 S N -0.240 115.772 115.700 0.519 0.000 2.587 83 S HA 0.533 4.997 4.470 -0.009 0.000 0.260 83 S C 0.251 175.107 174.600 0.426 0.000 1.353 83 S CA 0.621 59.006 58.200 0.308 0.000 0.995 83 S CB 0.332 63.620 63.200 0.147 0.000 0.912 83 S HN 0.677 nan 8.310 nan 0.000 0.568 84 G N -0.148 108.855 108.800 0.338 0.000 2.349 84 G HA2 0.510 4.464 3.960 -0.009 0.000 0.294 84 G HA3 0.510 4.464 3.960 -0.009 0.000 0.294 84 G C -1.742 173.318 174.900 0.266 0.000 1.380 84 G CA -0.659 44.663 45.100 0.370 0.000 0.811 84 G HN 0.712 nan 8.290 nan 0.000 0.519 85 S N -1.310 114.529 115.700 0.231 0.000 2.588 85 S HA 0.856 5.321 4.470 -0.009 0.000 0.275 85 S C -0.160 174.535 174.600 0.158 0.000 1.130 85 S CA -0.048 58.261 58.200 0.182 0.000 0.855 85 S CB 1.797 65.111 63.200 0.190 0.000 1.116 85 S HN 1.763 nan 8.310 nan 0.000 0.472 86 A N 1.447 124.362 122.820 0.158 0.000 2.305 86 A HA 0.765 5.079 4.320 -0.009 0.000 0.322 86 A C -0.186 177.516 177.584 0.195 0.000 1.187 86 A CA -0.487 51.635 52.037 0.141 0.000 0.825 86 A CB 0.399 19.485 19.000 0.143 0.000 1.164 86 A HN 0.614 nan 8.150 nan 0.000 0.498 87 T N 3.030 117.679 114.554 0.159 0.000 2.856 87 T HA 0.476 4.820 4.350 -0.009 0.000 0.283 87 T C -0.238 174.515 174.700 0.088 0.000 1.008 87 T CA -0.297 61.903 62.100 0.167 0.000 0.997 87 T CB 0.868 69.815 68.868 0.132 0.000 0.992 87 T HN 0.405 nan 8.240 nan 0.000 0.454 88 I N 4.092 124.761 120.570 0.166 0.000 2.291 88 I HA 0.257 4.422 4.170 -0.009 0.000 0.290 88 I C 0.469 176.664 176.117 0.130 0.000 1.050 88 I CA -0.589 60.796 61.300 0.141 0.000 1.245 88 I CB 0.161 38.298 38.000 0.227 0.000 1.405 88 I HN 0.505 nan 8.210 nan 0.000 0.478 89 L N 8.246 129.468 121.223 -0.000 0.000 2.483 89 L HA 0.085 4.420 4.340 -0.009 0.000 0.276 89 L C -0.972 175.989 176.870 0.152 0.000 1.213 89 L CA -1.121 53.737 54.840 0.030 0.000 0.843 89 L CB 0.036 42.013 42.059 -0.137 0.000 1.107 89 L HN 0.320 nan 8.230 nan 0.000 0.487 90 P HA -0.119 nan 4.420 nan 0.000 0.228 90 P C 0.551 177.931 177.300 0.134 0.000 1.151 90 P CA 0.869 64.083 63.100 0.190 0.000 0.770 90 P CB -0.083 31.731 31.700 0.190 0.000 0.786 91 N N -1.033 117.733 118.700 0.110 0.000 2.370 91 N HA 0.069 4.804 4.740 -0.009 0.000 0.198 91 N C 1.287 176.854 175.510 0.096 0.000 1.156 91 N CA 0.609 53.711 53.050 0.086 0.000 0.839 91 N CB -0.883 37.642 38.487 0.062 0.000 0.989 91 N HN 0.179 nan 8.380 nan 0.000 0.468 92 G N 0.153 109.027 108.800 0.123 0.000 2.241 92 G HA2 -0.348 3.606 3.960 -0.009 0.000 0.244 92 G HA3 -0.348 3.606 3.960 -0.009 0.000 0.244 92 G C -0.022 175.001 174.900 0.205 0.000 0.998 92 G CA 0.261 45.466 45.100 0.174 0.000 0.621 92 G HN 0.625 nan 8.290 nan 0.000 0.519 93 K N 2.333 122.784 120.400 0.086 0.000 2.416 93 K HA 0.374 4.689 4.320 -0.009 0.000 0.283 93 K C -2.309 174.224 176.600 -0.112 0.000 1.037 93 K CA -1.144 55.117 56.287 -0.045 0.000 0.995 93 K CB 0.853 33.306 32.500 -0.078 0.000 0.938 93 K HN 0.176 nan 8.250 nan 0.000 0.475 94 P HA 0.110 nan 4.420 nan 0.000 0.292 94 P C -1.051 176.201 177.300 -0.080 0.000 1.287 94 P CA -0.557 62.461 63.100 -0.136 0.000 0.800 94 P CB 1.348 32.921 31.700 -0.211 0.000 0.945 95 V N 1.306 121.209 119.914 -0.020 0.000 2.914 95 V HA 0.634 4.748 4.120 -0.009 0.000 0.314 95 V C -0.423 175.728 176.094 0.096 0.000 1.084 95 V CA -1.104 61.232 62.300 0.060 0.000 0.963 95 V CB 2.238 34.016 31.823 -0.075 0.000 1.025 95 V HN 0.299 nan 8.190 nan 0.000 0.432 96 I N 3.434 124.044 120.570 0.066 0.000 2.362 96 I HA 0.454 4.619 4.170 -0.009 0.000 0.289 96 I C -0.637 175.468 176.117 -0.021 0.000 0.994 96 I CA -0.481 60.764 61.300 -0.091 0.000 1.158 96 I CB 1.788 39.470 38.000 -0.530 0.000 1.315 96 I HN 0.464 nan 8.210 nan 0.000 0.451 97 L N 7.758 128.991 121.223 0.017 0.000 2.275 97 L HA 0.473 4.808 4.340 -0.009 0.000 0.288 97 L C -0.896 175.993 176.870 0.031 0.000 1.046 97 L CA -0.608 54.199 54.840 -0.055 0.000 0.805 97 L CB 0.869 42.827 42.059 -0.169 0.000 1.193 97 L HN 0.537 nan 8.230 nan 0.000 0.426 98 Y N 0.336 120.505 120.300 -0.219 0.000 2.588 98 Y HA 0.570 5.115 4.550 -0.010 0.000 0.343 98 Y C -0.669 175.149 175.900 -0.137 0.000 1.065 98 Y CA -1.115 56.913 58.100 -0.120 0.000 1.038 98 Y CB 1.374 39.675 38.460 -0.265 0.000 1.297 98 Y HN 0.282 nan 8.280 nan 0.000 0.467 99 T N 2.383 116.913 114.554 -0.041 0.000 2.817 99 T HA 0.600 4.944 4.350 -0.009 0.000 0.293 99 T C 0.164 174.769 174.700 -0.157 0.000 0.964 99 T CA 0.030 62.027 62.100 -0.171 0.000 1.085 99 T CB 0.808 69.675 68.868 -0.003 0.000 0.921 99 T HN 0.990 nan 8.240 nan 0.000 0.502 100 G N 2.008 110.619 108.800 -0.315 0.000 2.454 100 G HA2 0.629 4.583 3.960 -0.009 0.000 0.329 100 G HA3 0.629 4.583 3.960 -0.009 0.000 0.329 100 G C -0.791 173.945 174.900 -0.273 0.000 1.177 100 G CA -0.740 44.243 45.100 -0.195 0.000 0.951 100 G HN 0.621 nan 8.290 nan 0.000 0.485 101 I N 2.570 122.975 120.570 -0.274 0.000 2.307 101 I HA 0.197 4.361 4.170 -0.009 0.000 0.289 101 I C -0.035 176.000 176.117 -0.137 0.000 1.021 101 I CA -0.985 60.147 61.300 -0.280 0.000 1.224 101 I CB 0.614 38.412 38.000 -0.337 0.000 1.376 101 I HN 0.635 nan 8.210 nan 0.000 0.470 102 D N 8.974 129.310 120.400 -0.106 0.000 2.398 102 D HA 0.187 4.822 4.640 -0.009 0.000 0.247 102 D C -1.884 174.383 176.300 -0.056 0.000 1.227 102 D CA -1.659 52.302 54.000 -0.064 0.000 0.980 102 D CB 0.387 41.166 40.800 -0.035 0.000 1.106 102 D HN 0.235 nan 8.370 nan 0.000 0.493 103 P HA -0.119 nan 4.420 nan 0.000 0.225 103 P C 0.365 177.650 177.300 -0.026 0.000 1.148 103 P CA 1.186 64.265 63.100 -0.035 0.000 0.779 103 P CB 0.112 31.792 31.700 -0.033 0.000 0.780 104 K N 0.094 120.478 120.400 -0.027 0.000 2.520 104 K HA 0.135 4.449 4.320 -0.009 0.000 0.205 104 K C 0.233 176.818 176.600 -0.025 0.000 1.035 104 K CA -0.191 56.083 56.287 -0.022 0.000 1.188 104 K CB -0.520 31.968 32.500 -0.019 0.000 0.894 104 K HN -0.006 nan 8.250 nan 0.000 0.497 105 N N 2.179 120.858 118.700 -0.035 0.000 2.740 105 N HA -0.212 4.523 4.740 -0.009 0.000 0.248 105 N C -1.042 174.429 175.510 -0.064 0.000 1.062 105 N CA 0.848 53.870 53.050 -0.045 0.000 0.704 105 N CB -0.742 37.738 38.487 -0.011 0.000 0.968 105 N HN 0.472 nan 8.380 nan 0.000 0.547 106 Q N 0.409 120.164 119.800 -0.075 0.000 2.274 106 Q HA 0.302 4.636 4.340 -0.009 0.000 0.260 106 Q C -0.157 175.779 176.000 -0.106 0.000 0.974 106 Q CA -0.438 55.327 55.803 -0.064 0.000 0.876 106 Q CB 1.506 30.222 28.738 -0.036 0.000 1.297 106 Q HN 0.175 nan 8.270 nan 0.000 0.446 107 Q N 1.731 121.486 119.800 -0.074 0.000 2.389 107 Q HA 0.277 4.611 4.340 -0.009 0.000 0.244 107 Q C -0.344 175.655 176.000 -0.002 0.000 1.056 107 Q CA -0.375 55.358 55.803 -0.116 0.000 0.908 107 Q CB 0.740 29.433 28.738 -0.076 0.000 1.273 107 Q HN 0.433 nan 8.270 nan 0.000 0.471 108 V N -0.213 119.634 119.914 -0.111 0.000 2.919 108 V HA 0.515 4.630 4.120 -0.009 0.000 0.316 108 V C -0.763 175.157 176.094 -0.289 0.000 1.077 108 V CA -1.124 61.114 62.300 -0.103 0.000 0.977 108 V CB 2.206 33.982 31.823 -0.080 0.000 1.039 108 V HN 0.468 nan 8.190 nan 0.000 0.441 109 Q N 2.824 122.414 119.800 -0.349 0.000 2.290 109 Q HA 0.578 4.913 4.340 -0.009 0.000 0.259 109 Q C -1.123 174.547 176.000 -0.549 0.000 0.941 109 Q CA -0.249 55.248 55.803 -0.510 0.000 0.912 109 Q CB 1.305 29.675 28.738 -0.613 0.000 1.244 109 Q HN 0.856 nan 8.270 nan 0.000 0.441 110 N N 1.921 120.181 118.700 -0.732 0.000 2.272 110 N HA 0.522 5.257 4.740 -0.009 0.000 0.305 110 N C -0.763 174.417 175.510 -0.550 0.000 1.103 110 N CA -0.578 51.997 53.050 -0.791 0.000 0.791 110 N CB 2.318 40.123 38.487 -1.136 0.000 1.356 110 N HN 0.528 nan 8.380 nan 0.000 0.486 111 I N 0.686 121.056 120.570 -0.333 0.000 2.525 111 I HA 0.650 4.815 4.170 -0.009 0.000 0.301 111 I C -0.682 175.435 176.117 0.001 0.000 0.992 111 I CA -0.642 60.596 61.300 -0.103 0.000 1.162 111 I CB 1.175 39.157 38.000 -0.030 0.000 1.332 111 I HN 0.587 nan 8.210 nan 0.000 0.458 112 A N 6.388 129.237 122.820 0.048 0.000 2.371 112 A HA 0.664 4.978 4.320 -0.009 0.000 0.311 112 A C -1.073 176.650 177.584 0.231 0.000 1.068 112 A CA -0.545 51.543 52.037 0.086 0.000 0.744 112 A CB 1.248 20.192 19.000 -0.095 0.000 1.239 112 A HN 0.761 nan 8.150 nan 0.000 0.435 113 E N 1.787 122.086 120.200 0.165 0.000 2.244 113 E HA 0.499 4.843 4.350 -0.009 0.000 0.266 113 E C -2.695 173.736 176.600 -0.282 0.000 0.914 113 E CA -2.071 54.320 56.400 -0.015 0.000 0.794 113 E CB 2.101 31.752 29.700 -0.082 0.000 1.210 113 E HN 0.398 nan 8.360 nan 0.000 0.414 114 P HA 0.054 nan 4.420 nan 0.000 0.275 114 P C -0.059 176.935 177.300 -0.510 0.000 1.228 114 P CA -0.109 62.327 63.100 -1.107 0.000 0.786 114 P CB 0.896 31.903 31.700 -1.155 0.000 0.927 115 K N 1.820 121.986 120.400 -0.391 0.000 2.116 115 K HA -0.045 4.269 4.320 -0.009 0.000 0.203 115 K C 0.388 176.892 176.600 -0.159 0.000 1.052 115 K CA 0.976 57.146 56.287 -0.195 0.000 0.952 115 K CB 0.071 32.502 32.500 -0.114 0.000 0.729 115 K HN 0.319 nan 8.250 nan 0.000 0.446 116 N N 0.651 119.243 118.700 -0.181 0.000 2.664 116 N HA 0.094 4.828 4.740 -0.009 0.000 0.257 116 N C -0.169 175.271 175.510 -0.117 0.000 1.108 116 N CA -0.141 52.842 53.050 -0.112 0.000 0.822 116 N CB 0.749 39.200 38.487 -0.061 0.000 1.199 116 N HN 0.026 nan 8.380 nan 0.000 0.529 117 L N 0.890 122.047 121.223 -0.110 0.000 2.642 117 L HA -0.039 4.296 4.340 -0.009 0.000 0.236 117 L C 1.333 178.246 176.870 0.072 0.000 1.169 117 L CA 0.762 55.566 54.840 -0.060 0.000 0.851 117 L CB -0.059 41.971 42.059 -0.048 0.000 0.968 117 L HN 0.417 nan 8.230 nan 0.000 0.453 118 S N -2.140 113.574 115.700 0.024 0.000 2.503 118 S HA -0.003 4.462 4.470 -0.009 0.000 0.215 118 S C 0.574 175.186 174.600 0.021 0.000 1.003 118 S CA -0.265 57.950 58.200 0.024 0.000 0.910 118 S CB -0.034 63.166 63.200 0.001 0.000 0.790 118 S HN 0.316 nan 8.310 nan 0.000 0.514 119 D N 2.907 123.321 120.400 0.023 0.000 2.382 119 D HA 0.106 4.740 4.640 -0.009 0.000 0.259 119 D C -1.595 174.746 176.300 0.068 0.000 1.224 119 D CA -1.792 52.228 54.000 0.034 0.000 0.894 119 D CB 1.333 42.155 40.800 0.037 0.000 1.127 119 D HN 0.088 nan 8.370 nan 0.000 0.487 120 P HA -0.038 nan 4.420 nan 0.000 0.235 120 P C 0.586 177.882 177.300 -0.006 0.000 1.177 120 P CA 0.591 63.650 63.100 -0.069 0.000 0.785 120 P CB 0.050 31.566 31.700 -0.307 0.000 0.885 121 Y N -0.028 120.353 120.300 0.136 0.000 2.466 121 Y HA 0.258 4.802 4.550 -0.008 0.000 0.272 121 Y C 1.224 177.286 175.900 0.270 0.000 1.169 121 Y CA -0.603 57.551 58.100 0.089 0.000 1.285 121 Y CB -0.512 37.806 38.460 -0.237 0.000 1.078 121 Y HN -0.334 nan 8.280 nan 0.000 0.523 122 L N 1.304 122.753 121.223 0.377 0.000 4.054 122 L HA -0.398 3.937 4.340 -0.009 0.000 0.475 122 L C 1.853 178.974 176.870 0.419 0.000 1.166 122 L CA 0.329 55.319 54.840 0.251 0.000 0.688 122 L CB -0.875 41.300 42.059 0.193 0.000 1.512 122 L HN 0.455 nan 8.230 nan 0.000 0.799 123 R N 0.867 121.518 120.500 0.252 0.000 2.081 123 R HA -0.039 4.296 4.340 -0.009 0.000 0.235 123 R C 0.450 176.963 176.300 0.355 0.000 1.131 123 R CA 1.412 57.677 56.100 0.274 0.000 0.960 123 R CB 0.277 30.646 30.300 0.115 0.000 0.856 123 R HN 0.585 nan 8.270 nan 0.000 0.436 124 E N -1.170 119.136 120.200 0.177 0.000 2.248 124 E HA 0.178 4.522 4.350 -0.009 0.000 0.267 124 E C -1.670 174.912 176.600 -0.029 0.000 0.877 124 E CA -0.654 55.849 56.400 0.173 0.000 0.759 124 E CB 1.515 31.272 29.700 0.095 0.000 1.182 124 E HN 0.073 nan 8.360 nan 0.000 0.418 125 W N 2.240 123.505 121.300 -0.059 0.000 2.736 125 W HA 0.342 4.997 4.660 -0.009 0.000 0.335 125 W C -0.437 175.998 176.519 -0.140 0.000 1.059 125 W CA -0.740 56.524 57.345 -0.135 0.000 1.226 125 W CB 1.444 30.759 29.460 -0.241 0.000 1.416 125 W HN 0.314 nan 8.180 nan 0.000 0.505 126 K N 1.691 122.127 120.400 0.060 0.000 2.292 126 K HA 0.691 5.005 4.320 -0.009 0.000 0.257 126 K C -0.910 175.715 176.600 0.041 0.000 0.940 126 K CA -0.974 55.327 56.287 0.024 0.000 0.811 126 K CB 1.710 34.202 32.500 -0.012 0.000 1.120 126 K HN 0.360 nan 8.250 nan 0.000 0.428 127 K N 1.895 122.330 120.400 0.059 0.000 2.213 127 K HA 0.145 4.460 4.320 -0.009 0.000 0.270 127 K C -0.355 176.280 176.600 0.057 0.000 1.002 127 K CA -0.788 55.549 56.287 0.084 0.000 0.868 127 K CB 1.810 34.466 32.500 0.259 0.000 1.093 127 K HN 0.694 nan 8.250 nan 0.000 0.454 128 S N 3.473 119.140 115.700 -0.055 0.000 2.558 128 S HA 0.044 4.508 4.470 -0.009 0.000 0.288 128 S C -1.164 173.396 174.600 -0.066 0.000 1.318 128 S CA -1.120 57.039 58.200 -0.068 0.000 1.056 128 S CB 0.394 63.533 63.200 -0.103 0.000 0.853 128 S HN 0.496 nan 8.310 nan 0.000 0.505 129 P HA -0.023 nan 4.420 nan 0.000 0.226 129 P C 1.170 178.484 177.300 0.024 0.000 1.153 129 P CA 0.796 63.955 63.100 0.098 0.000 0.777 129 P CB -0.031 31.712 31.700 0.073 0.000 0.794 130 L N -1.194 119.993 121.223 -0.059 0.000 2.551 130 L HA 0.026 4.360 4.340 -0.009 0.000 0.228 130 L C 0.948 177.718 176.870 -0.167 0.000 1.153 130 L CA 0.169 54.965 54.840 -0.074 0.000 0.851 130 L CB -0.919 41.110 42.059 -0.050 0.000 0.959 130 L HN -0.035 nan 8.230 nan 0.000 0.451 131 N N 1.659 120.124 118.700 -0.392 0.000 2.479 131 N HA 0.109 4.843 4.740 -0.009 0.000 0.257 131 N C -2.209 173.103 175.510 -0.329 0.000 1.232 131 N CA -0.926 51.733 53.050 -0.653 0.000 0.920 131 N CB 0.317 37.815 38.487 -1.648 0.000 1.105 131 N HN -0.040 nan 8.380 nan 0.000 0.444 132 P HA 0.049 nan 4.420 nan 0.000 0.271 132 P C 0.592 177.770 177.300 -0.203 0.000 1.216 132 P CA -0.345 62.602 63.100 -0.254 0.000 0.771 132 P CB 0.858 32.479 31.700 -0.130 0.000 0.864 133 L N 2.213 123.288 121.223 -0.247 0.000 2.313 133 L HA 0.140 4.475 4.340 -0.009 0.000 0.214 133 L C 1.279 178.073 176.870 -0.127 0.000 1.119 133 L CA 1.641 56.397 54.840 -0.140 0.000 0.809 133 L CB -0.544 41.423 42.059 -0.152 0.000 0.933 133 L HN 0.459 nan 8.230 nan 0.000 0.449 134 M N -1.233 118.238 119.600 -0.216 0.000 2.238 134 M HA 0.589 5.063 4.480 -0.009 0.000 0.278 134 M C -1.083 175.224 176.300 0.013 0.000 1.040 134 M CA -0.069 55.123 55.300 -0.180 0.000 0.969 134 M CB 2.472 34.734 32.600 -0.563 0.000 1.694 134 M HN -0.118 nan 8.290 nan 0.000 0.472 135 A N 3.862 126.749 122.820 0.111 0.000 2.515 135 A HA 1.016 5.330 4.320 -0.009 0.000 0.298 135 A C -2.963 174.602 177.584 -0.032 0.000 1.059 135 A CA -1.442 50.661 52.037 0.110 0.000 0.698 135 A CB 1.553 20.567 19.000 0.024 0.000 1.289 135 A HN 0.462 nan 8.150 nan 0.000 0.404 136 P HA 0.395 nan 4.420 nan 0.000 0.271 136 P C -1.188 176.037 177.300 -0.125 0.000 1.218 136 P CA 0.439 63.381 63.100 -0.264 0.000 0.780 136 P CB 0.963 32.520 31.700 -0.240 0.000 0.901 137 D N 0.240 120.567 120.400 -0.122 0.000 2.812 137 D HA 0.441 5.076 4.640 -0.009 0.000 0.318 137 D C 0.613 176.867 176.300 -0.075 0.000 1.234 137 D CA -0.823 53.132 54.000 -0.075 0.000 0.989 137 D CB -0.112 40.659 40.800 -0.048 0.000 1.442 137 D HN 0.148 nan 8.370 nan 0.000 0.537 138 A N -0.415 122.372 122.820 -0.054 0.000 2.016 138 A HA 0.143 4.457 4.320 -0.009 0.000 0.217 138 A C 1.963 179.517 177.584 -0.051 0.000 1.162 138 A CA 1.347 53.354 52.037 -0.050 0.000 0.662 138 A CB -0.820 18.158 19.000 -0.037 0.000 0.812 138 A HN 0.333 nan 8.150 nan 0.000 0.450 139 V N 2.191 122.076 119.914 -0.048 0.000 2.229 139 V HA -0.274 3.840 4.120 -0.009 0.000 0.243 139 V C 2.410 178.466 176.094 -0.064 0.000 1.042 139 V CA 2.271 64.543 62.300 -0.047 0.000 1.000 139 V CB -1.273 30.528 31.823 -0.036 0.000 0.637 139 V HN 0.868 nan 8.190 nan 0.000 0.446 140 N N 1.328 119.981 118.700 -0.078 0.000 2.331 140 N HA 0.037 4.771 4.740 -0.009 0.000 0.180 140 N C 1.487 176.922 175.510 -0.124 0.000 1.019 140 N CA 1.198 54.185 53.050 -0.105 0.000 0.881 140 N CB -0.656 37.758 38.487 -0.121 0.000 0.972 140 N HN 0.597 nan 8.380 nan 0.000 0.435 141 G N 0.040 108.768 108.800 -0.119 0.000 2.203 141 G HA2 -0.301 3.653 3.960 -0.009 0.000 0.263 141 G HA3 -0.301 3.653 3.960 -0.009 0.000 0.263 141 G C -0.129 174.679 174.900 -0.152 0.000 1.012 141 G CA 0.377 45.407 45.100 -0.118 0.000 0.749 141 G HN 0.472 nan 8.290 nan 0.000 0.512 142 I N 0.468 120.914 120.570 -0.207 0.000 2.588 142 I HA 0.043 4.208 4.170 -0.009 0.000 0.283 142 I C 0.947 176.943 176.117 -0.200 0.000 1.119 142 I CA -0.641 60.501 61.300 -0.264 0.000 1.419 142 I CB 0.548 38.234 38.000 -0.523 0.000 1.394 142 I HN 0.121 nan 8.210 nan 0.000 0.562 143 N N 4.980 123.594 118.700 -0.143 0.000 2.438 143 N HA 0.041 4.775 4.740 -0.009 0.000 0.267 143 N C 0.661 176.149 175.510 -0.037 0.000 1.222 143 N CA 0.208 53.209 53.050 -0.082 0.000 0.930 143 N CB 1.410 39.859 38.487 -0.062 0.000 1.083 143 N HN 0.745 nan 8.380 nan 0.000 0.476 144 A N 2.969 125.769 122.820 -0.034 0.000 2.067 144 A HA -0.051 4.263 4.320 -0.009 0.000 0.219 144 A C 1.668 179.272 177.584 0.034 0.000 1.158 144 A CA 1.013 53.048 52.037 -0.003 0.000 0.661 144 A CB -0.009 18.978 19.000 -0.023 0.000 0.801 144 A HN 0.632 nan 8.150 nan 0.000 0.452 145 S N -0.326 115.398 115.700 0.040 0.000 2.597 145 S HA 0.235 4.700 4.470 -0.009 0.000 0.224 145 S C 0.298 174.969 174.600 0.119 0.000 0.955 145 S CA 0.142 58.382 58.200 0.068 0.000 0.933 145 S CB 0.171 63.407 63.200 0.060 0.000 0.788 145 S HN 0.321 nan 8.310 nan 0.000 0.488 146 S N 1.307 117.088 115.700 0.135 0.000 2.606 146 S HA 0.377 4.841 4.470 -0.009 0.000 0.156 146 S C -1.167 173.590 174.600 0.262 0.000 1.308 146 S CA -0.439 57.864 58.200 0.171 0.000 1.228 146 S CB 0.192 63.457 63.200 0.108 0.000 1.568 146 S HN 0.384 nan 8.310 nan 0.000 0.397 147 F N 3.667 123.649 119.950 0.054 0.000 3.065 147 F HA 0.440 4.961 4.527 -0.010 0.000 0.383 147 F C -0.412 175.410 175.800 0.037 0.000 1.259 147 F CA -0.499 57.521 58.000 0.032 0.000 1.217 147 F CB 0.337 39.330 39.000 -0.012 0.000 2.042 147 F HN 0.345 nan 8.300 nan 0.000 0.641 148 R N 1.384 121.860 120.500 -0.040 0.000 2.817 148 R HA 0.634 4.969 4.340 -0.009 0.000 0.268 148 R C -1.538 174.762 176.300 -0.000 0.000 1.027 148 R CA -0.753 55.331 56.100 -0.026 0.000 0.928 148 R CB 1.403 31.840 30.300 0.228 0.000 1.228 148 R HN 0.208 nan 8.270 nan 0.000 0.469 149 D N 0.136 120.560 120.400 0.040 0.000 3.241 149 D HA -0.073 4.562 4.640 -0.009 0.000 0.248 149 D C -2.360 173.953 176.300 0.022 0.000 1.093 149 D CA 0.375 54.424 54.000 0.082 0.000 0.940 149 D CB -0.834 40.045 40.800 0.131 0.000 0.980 149 D HN 0.506 nan 8.370 nan 0.000 0.421 150 P HA 0.057 nan 4.420 nan 0.000 0.269 150 P C 0.662 177.991 177.300 0.047 0.000 1.215 150 P CA -0.003 63.045 63.100 -0.087 0.000 0.780 150 P CB 0.704 32.271 31.700 -0.221 0.000 0.898 151 T N -1.009 113.609 114.554 0.108 0.000 2.814 151 T HA 0.250 4.594 4.350 -0.009 0.000 0.284 151 T C 0.402 175.252 174.700 0.250 0.000 0.998 151 T CA -0.495 61.743 62.100 0.230 0.000 0.935 151 T CB -0.421 68.667 68.868 0.367 0.000 1.167 151 T HN 0.256 nan 8.240 nan 0.000 0.545 152 T N 1.550 116.306 114.554 0.336 0.000 2.926 152 T HA 0.497 4.841 4.350 -0.009 0.000 0.307 152 T C 0.401 175.415 174.700 0.523 0.000 1.059 152 T CA -0.165 62.165 62.100 0.383 0.000 1.122 152 T CB 0.182 69.287 68.868 0.396 0.000 0.972 152 T HN 0.931 nan 8.240 nan 0.000 0.545 153 A N 2.643 125.780 122.820 0.528 0.000 2.295 153 A HA 0.712 5.026 4.320 -0.009 0.000 0.318 153 A C -0.763 177.407 177.584 0.977 0.000 1.134 153 A CA -0.975 51.450 52.037 0.646 0.000 0.827 153 A CB 0.496 19.849 19.000 0.588 0.000 1.136 153 A HN 0.961 nan 8.150 nan 0.000 0.493 154 W N 1.500 123.247 121.300 0.745 0.000 2.739 154 W HA 0.621 5.275 4.660 -0.010 0.000 0.331 154 W C -1.485 175.191 176.519 0.262 0.000 1.049 154 W CA -1.321 56.335 57.345 0.518 0.000 1.234 154 W CB 0.794 30.470 29.460 0.360 0.000 1.404 154 W HN 0.461 nan 8.180 nan 0.000 0.477 155 L N 4.810 125.937 121.223 -0.161 0.000 2.319 155 L HA 0.662 4.996 4.340 -0.009 0.000 0.280 155 L C 0.601 177.463 176.870 -0.013 0.000 1.099 155 L CA 0.014 54.472 54.840 -0.637 0.000 0.828 155 L CB 0.382 41.833 42.059 -1.013 0.000 1.150 155 L HN 0.802 nan 8.230 nan 0.000 0.442 156 G N 2.793 111.622 108.800 0.048 0.000 2.547 156 G HA2 0.226 4.180 3.960 -0.009 0.000 0.291 156 G HA3 0.226 4.180 3.960 -0.009 0.000 0.291 156 G C 0.292 175.350 174.900 0.264 0.000 1.211 156 G CA -0.215 45.066 45.100 0.301 0.000 0.950 156 G HN 0.718 nan 8.290 nan 0.000 0.504 157 Q N -0.534 119.347 119.800 0.134 0.000 2.135 157 Q HA -0.145 4.189 4.340 -0.009 0.000 0.204 157 Q C 1.630 177.582 176.000 -0.080 0.000 0.981 157 Q CA 2.247 57.944 55.803 -0.177 0.000 0.856 157 Q CB -0.097 28.455 28.738 -0.309 0.000 0.902 157 Q HN 0.695 nan 8.270 nan 0.000 0.425 158 D N -0.842 119.539 120.400 -0.031 0.000 2.323 158 D HA -0.003 4.631 4.640 -0.009 0.000 0.239 158 D C -0.504 175.777 176.300 -0.032 0.000 1.129 158 D CA 0.029 54.011 54.000 -0.031 0.000 0.865 158 D CB -0.326 40.463 40.800 -0.018 0.000 0.913 158 D HN 0.169 nan 8.370 nan 0.000 0.517 159 K N -0.905 119.473 120.400 -0.037 0.000 3.077 159 K HA -0.260 4.055 4.320 -0.009 0.000 0.264 159 K C -0.484 176.049 176.600 -0.112 0.000 1.008 159 K CA 0.581 56.825 56.287 -0.071 0.000 0.740 159 K CB -1.207 31.273 32.500 -0.034 0.000 1.273 159 K HN 0.317 nan 8.250 nan 0.000 0.477 160 K N 0.261 120.580 120.400 -0.134 0.000 2.471 160 K HA 0.295 4.609 4.320 -0.009 0.000 0.252 160 K C -1.019 175.495 176.600 -0.144 0.000 0.938 160 K CA -0.722 55.501 56.287 -0.107 0.000 0.796 160 K CB 0.902 33.378 32.500 -0.039 0.000 1.161 160 K HN 0.104 nan 8.250 nan 0.000 0.425 161 W N 2.746 124.002 121.300 -0.073 0.000 2.238 161 W HA 0.275 4.930 4.660 -0.009 0.000 0.321 161 W C 0.391 176.855 176.519 -0.092 0.000 1.293 161 W CA -0.168 57.147 57.345 -0.050 0.000 1.204 161 W CB 0.784 30.211 29.460 -0.054 0.000 1.167 161 W HN 0.302 nan 8.180 nan 0.000 0.553 162 R N 1.594 122.089 120.500 -0.009 0.000 2.711 162 R HA 0.783 5.118 4.340 -0.009 0.000 0.284 162 R C -1.305 174.655 176.300 -0.567 0.000 0.968 162 R CA -0.972 54.885 56.100 -0.405 0.000 0.924 162 R CB 2.009 31.713 30.300 -0.993 0.000 1.162 162 R HN 0.321 nan 8.270 nan 0.000 0.465 163 V N 4.088 123.808 119.914 -0.323 0.000 3.048 163 V HA 0.632 4.746 4.120 -0.009 0.000 0.303 163 V C -1.412 174.666 176.094 -0.026 0.000 1.214 163 V CA -0.741 61.423 62.300 -0.225 0.000 0.984 163 V CB 2.071 33.688 31.823 -0.344 0.000 1.054 163 V HN 0.732 nan 8.190 nan 0.000 0.430 164 I N 3.139 123.793 120.570 0.140 0.000 2.846 164 I HA 0.774 4.939 4.170 -0.009 0.000 0.307 164 I C -1.018 175.171 176.117 0.120 0.000 1.053 164 I CA -0.866 60.550 61.300 0.193 0.000 1.050 164 I CB 2.181 40.341 38.000 0.267 0.000 1.239 164 I HN 0.464 nan 8.210 nan 0.000 0.439 165 I N 2.387 123.039 120.570 0.137 0.000 2.533 165 I HA 0.505 4.670 4.170 -0.009 0.000 0.290 165 I C 0.445 176.662 176.117 0.165 0.000 1.056 165 I CA -0.671 60.649 61.300 0.033 0.000 1.057 165 I CB 2.135 40.001 38.000 -0.223 0.000 1.240 165 I HN 0.832 nan 8.210 nan 0.000 0.423 166 G N 2.915 111.818 108.800 0.171 0.000 2.378 166 G HA2 0.466 4.420 3.960 -0.009 0.000 0.255 166 G HA3 0.466 4.420 3.960 -0.009 0.000 0.255 166 G C -0.382 174.675 174.900 0.260 0.000 1.270 166 G CA 0.153 45.425 45.100 0.288 0.000 0.876 166 G HN 0.549 nan 8.290 nan 0.000 0.521 167 S N 0.636 116.483 115.700 0.246 0.000 2.790 167 S HA 0.832 5.296 4.470 -0.009 0.000 0.292 167 S C -1.284 173.331 174.600 0.025 0.000 1.197 167 S CA -0.758 57.544 58.200 0.169 0.000 0.851 167 S CB 1.556 64.879 63.200 0.204 0.000 1.217 167 S HN 1.061 nan 8.310 nan 0.000 0.526 168 K N 0.532 120.924 120.400 -0.013 0.000 2.572 168 K HA 0.446 4.760 4.320 -0.009 0.000 0.263 168 K C 0.438 176.966 176.600 -0.120 0.000 0.932 168 K CA -0.719 55.513 56.287 -0.093 0.000 0.838 168 K CB 0.750 33.227 32.500 -0.038 0.000 1.366 168 K HN 0.572 nan 8.250 nan 0.000 0.425 169 I N -1.615 118.853 120.570 -0.169 0.000 2.260 169 I HA 0.059 4.223 4.170 -0.009 0.000 0.237 169 I C 0.972 176.853 176.117 -0.393 0.000 1.075 169 I CA 0.593 61.736 61.300 -0.262 0.000 1.376 169 I CB -0.146 37.712 38.000 -0.235 0.000 1.107 169 I HN 0.659 nan 8.210 nan 0.000 0.420 170 H N 0.048 119.086 119.070 -0.053 0.000 4.025 170 H HA 0.412 4.963 4.556 -0.010 0.000 0.129 170 H C 1.272 176.590 175.328 -0.015 0.000 1.189 170 H CA -0.049 55.981 56.048 -0.029 0.000 1.007 170 H CB 0.389 30.134 29.762 -0.030 0.000 1.335 170 H HN 0.081 nan 8.280 nan 0.000 0.302 171 R N 1.509 122.093 120.500 0.140 0.000 2.334 171 R HA 0.120 4.454 4.340 -0.009 0.000 0.216 171 R C 0.422 176.747 176.300 0.042 0.000 0.905 171 R CA -0.140 56.006 56.100 0.078 0.000 1.064 171 R CB 0.110 30.451 30.300 0.068 0.000 1.046 171 R HN 0.105 nan 8.270 nan 0.000 0.508 172 R N 0.873 121.376 120.500 0.006 0.000 2.205 172 R HA 0.264 4.598 4.340 -0.009 0.000 0.342 172 R C -0.206 175.978 176.300 -0.194 0.000 1.058 172 R CA 0.006 56.067 56.100 -0.064 0.000 0.904 172 R CB 0.619 30.869 30.300 -0.083 0.000 1.089 172 R HN 0.042 nan 8.270 nan 0.000 0.471 173 G N 5.074 113.681 108.800 -0.322 0.000 2.395 173 G HA2 0.508 4.462 3.960 -0.009 0.000 0.283 173 G HA3 0.508 4.462 3.960 -0.009 0.000 0.283 173 G C -0.719 173.327 174.900 -1.424 0.000 1.178 173 G CA -0.644 43.956 45.100 -0.833 0.000 0.837 173 G HN 0.673 nan 8.290 nan 0.000 0.518 174 L N -0.561 119.919 121.223 -1.239 0.000 2.479 174 L HA 0.923 5.258 4.340 -0.009 0.000 0.255 174 L C -0.520 176.181 176.870 -0.281 0.000 1.026 174 L CA -1.489 52.795 54.840 -0.927 0.000 0.842 174 L CB 2.187 44.034 42.059 -0.353 0.000 1.444 174 L HN 0.603 nan 8.230 nan 0.000 0.409 175 A N 2.527 125.416 122.820 0.115 0.000 2.316 175 A HA 0.668 4.982 4.320 -0.009 0.000 0.324 175 A C -0.289 177.441 177.584 0.243 0.000 1.375 175 A CA -0.427 51.827 52.037 0.361 0.000 0.882 175 A CB -0.115 19.195 19.000 0.516 0.000 1.152 175 A HN 0.632 nan 8.150 nan 0.000 0.512 176 I N 2.691 123.406 120.570 0.242 0.000 2.517 176 I HA 0.098 4.263 4.170 -0.009 0.000 0.285 176 I C 0.358 176.648 176.117 0.289 0.000 1.106 176 I CA 0.441 61.890 61.300 0.248 0.000 1.402 176 I CB 0.809 39.027 38.000 0.364 0.000 1.399 176 I HN 0.492 nan 8.210 nan 0.000 0.535 177 T N 5.685 120.356 114.554 0.195 0.000 2.837 177 T HA 0.443 4.788 4.350 -0.009 0.000 0.285 177 T C -0.682 174.112 174.700 0.157 0.000 0.984 177 T CA -0.291 61.925 62.100 0.193 0.000 1.049 177 T CB 0.651 69.611 68.868 0.153 0.000 0.947 177 T HN 0.188 nan 8.240 nan 0.000 0.472 178 Y N 1.412 121.772 120.300 0.100 0.000 2.446 178 Y HA 0.523 5.068 4.550 -0.009 0.000 0.345 178 Y C 0.796 176.884 175.900 0.314 0.000 0.984 178 Y CA -0.883 57.336 58.100 0.198 0.000 1.058 178 Y CB 2.027 40.598 38.460 0.185 0.000 1.220 178 Y HN 0.716 nan 8.280 nan 0.000 0.455 179 T N -0.975 113.805 114.554 0.376 0.000 2.885 179 T HA 0.761 5.105 4.350 -0.009 0.000 0.285 179 T C -0.589 174.095 174.700 -0.026 0.000 1.019 179 T CA -0.916 61.293 62.100 0.182 0.000 1.010 179 T CB 1.875 70.784 68.868 0.069 0.000 1.022 179 T HN 0.500 nan 8.240 nan 0.000 0.466 180 S N 0.007 115.503 115.700 -0.340 0.000 2.541 180 S HA 0.457 4.922 4.470 -0.009 0.000 0.271 180 S C 0.164 174.613 174.600 -0.252 0.000 1.133 180 S CA -0.882 56.945 58.200 -0.621 0.000 0.876 180 S CB 1.770 63.871 63.200 -1.831 0.000 1.105 180 S HN 0.780 nan 8.310 nan 0.000 0.470 181 K N 0.809 121.107 120.400 -0.170 0.000 2.352 181 K HA 0.132 4.447 4.320 -0.009 0.000 0.194 181 K C 0.366 177.001 176.600 0.058 0.000 1.038 181 K CA 0.710 56.979 56.287 -0.030 0.000 1.023 181 K CB 0.220 32.700 32.500 -0.034 0.000 0.840 181 K HN 0.720 nan 8.250 nan 0.000 0.519 182 D N -1.463 118.933 120.400 -0.007 0.000 2.516 182 D HA -0.047 4.587 4.640 -0.009 0.000 0.241 182 D C 0.302 176.649 176.300 0.078 0.000 1.246 182 D CA -0.441 53.594 54.000 0.059 0.000 0.808 182 D CB -0.090 40.715 40.800 0.008 0.000 1.147 182 D HN 0.051 nan 8.370 nan 0.000 0.527 183 F N 0.663 120.401 119.950 -0.352 0.000 2.965 183 F HA -0.266 4.255 4.527 -0.010 0.000 0.287 183 F C -0.076 175.663 175.800 -0.101 0.000 0.790 183 F CA 0.632 58.405 58.000 -0.378 0.000 1.279 183 F CB -1.345 37.455 39.000 -0.332 0.000 1.409 183 F HN 0.118 nan 8.300 nan 0.000 0.446 184 L N -1.628 119.532 121.223 -0.106 0.000 2.885 184 L HA 0.203 4.537 4.340 -0.009 0.000 0.251 184 L C 0.800 177.669 176.870 -0.003 0.000 1.071 184 L CA 0.061 54.919 54.840 0.030 0.000 0.956 184 L CB 0.224 42.303 42.059 0.033 0.000 1.483 184 L HN -0.148 nan 8.230 nan 0.000 0.525 185 K N 0.842 121.145 120.400 -0.161 0.000 2.404 185 K HA 0.253 4.567 4.320 -0.009 0.000 0.257 185 K C -1.958 174.531 176.600 -0.185 0.000 1.026 185 K CA -0.378 55.859 56.287 -0.082 0.000 0.951 185 K CB 0.812 33.273 32.500 -0.065 0.000 1.203 185 K HN -0.119 nan 8.250 nan 0.000 0.446 186 W N 2.383 123.683 121.300 0.000 0.000 2.478 186 W HA 0.345 5.000 4.660 -0.008 0.000 0.318 186 W C 0.366 177.003 176.519 0.197 0.000 1.062 186 W CA -0.552 56.840 57.345 0.078 0.000 1.210 186 W CB 1.197 30.670 29.460 0.021 0.000 1.325 186 W HN 0.376 nan 8.180 nan 0.000 0.496 187 E N 2.839 123.244 120.200 0.343 0.000 2.210 187 E HA 0.163 4.507 4.350 -0.009 0.000 0.266 187 E C -0.604 175.947 176.600 -0.081 0.000 0.883 187 E CA -0.981 55.511 56.400 0.154 0.000 0.761 187 E CB 1.264 30.992 29.700 0.046 0.000 1.156 187 E HN 0.317 nan 8.360 nan 0.000 0.412 188 K N 2.453 122.578 120.400 -0.459 0.000 2.436 188 K HA 0.088 4.402 4.320 -0.009 0.000 0.282 188 K C -0.569 175.799 176.600 -0.387 0.000 1.044 188 K CA 0.008 55.724 56.287 -0.952 0.000 1.028 188 K CB 0.532 32.540 32.500 -0.820 0.000 0.919 188 K HN 0.355 nan 8.250 nan 0.000 0.474 189 S N 5.907 121.438 115.700 -0.282 0.000 2.560 189 S HA 0.042 4.506 4.470 -0.009 0.000 0.284 189 S C -1.377 173.160 174.600 -0.105 0.000 1.327 189 S CA -1.276 56.856 58.200 -0.113 0.000 1.055 189 S CB 0.999 64.184 63.200 -0.024 0.000 0.868 189 S HN 0.632 nan 8.310 nan 0.000 0.506 190 P HA -0.049 nan 4.420 nan 0.000 0.220 190 P C -0.008 177.269 177.300 -0.039 0.000 1.148 190 P CA 1.102 64.168 63.100 -0.057 0.000 0.803 190 P CB 0.238 31.917 31.700 -0.035 0.000 0.782 191 E N 0.324 120.521 120.200 -0.005 0.000 2.183 191 E HA 0.381 4.726 4.350 -0.009 0.000 0.271 191 E C -2.442 174.195 176.600 0.063 0.000 0.919 191 E CA -2.733 53.687 56.400 0.032 0.000 0.781 191 E CB 0.884 30.624 29.700 0.067 0.000 1.140 191 E HN 0.090 nan 8.360 nan 0.000 0.402 192 P HA 0.029 nan 4.420 nan 0.000 0.269 192 P C 0.829 178.256 177.300 0.212 0.000 1.209 192 P CA -0.293 62.890 63.100 0.139 0.000 0.776 192 P CB 0.682 32.463 31.700 0.135 0.000 0.876 193 L N 2.109 123.470 121.223 0.230 0.000 2.093 193 L HA -0.012 4.322 4.340 -0.009 0.000 0.208 193 L C 0.582 177.686 176.870 0.389 0.000 1.085 193 L CA 2.060 57.049 54.840 0.249 0.000 0.755 193 L CB -0.514 41.613 42.059 0.113 0.000 0.904 193 L HN 0.483 nan 8.230 nan 0.000 0.435 194 H N -2.489 116.758 119.070 0.295 0.000 3.003 194 H HA 0.461 5.011 4.556 -0.010 0.000 0.327 194 H C -1.628 173.898 175.328 0.330 0.000 1.353 194 H CA -0.613 55.636 56.048 0.335 0.000 1.142 194 H CB 1.125 31.161 29.762 0.457 0.000 1.864 194 H HN 0.009 nan 8.280 nan 0.000 0.529 195 Y N -0.492 119.619 120.300 -0.314 0.000 2.581 195 Y HA 0.633 5.177 4.550 -0.010 0.000 0.337 195 Y C -1.965 173.789 175.900 -0.244 0.000 1.108 195 Y CA -1.035 56.820 58.100 -0.408 0.000 1.033 195 Y CB 1.618 39.872 38.460 -0.343 0.000 1.318 195 Y HN 0.426 nan 8.280 nan 0.000 0.459 196 D N 2.152 122.581 120.400 0.048 0.000 2.757 196 D HA 0.165 4.800 4.640 -0.009 0.000 0.249 196 D C -1.448 174.942 176.300 0.150 0.000 1.168 196 D CA -0.420 53.674 54.000 0.157 0.000 0.870 196 D CB 2.457 43.484 40.800 0.378 0.000 1.411 196 D HN 0.624 nan 8.370 nan 0.000 0.525 197 D N 0.186 120.676 120.400 0.150 0.000 2.389 197 D HA 0.309 4.943 4.640 -0.009 0.000 0.247 197 D C 1.431 177.787 176.300 0.094 0.000 1.128 197 D CA 0.585 54.654 54.000 0.114 0.000 0.884 197 D CB 1.383 42.251 40.800 0.112 0.000 1.194 197 D HN 0.726 nan 8.370 nan 0.000 0.441 198 G N 1.979 110.826 108.800 0.078 0.000 2.155 198 G HA2 -0.354 3.600 3.960 -0.009 0.000 0.257 198 G HA3 -0.354 3.600 3.960 -0.009 0.000 0.257 198 G C 1.137 176.093 174.900 0.094 0.000 0.983 198 G CA 1.025 46.170 45.100 0.075 0.000 0.676 198 G HN 0.545 nan 8.290 nan 0.000 0.528 199 S N -0.611 115.166 115.700 0.130 0.000 2.406 199 S HA 0.486 4.950 4.470 -0.009 0.000 0.224 199 S C 1.970 176.683 174.600 0.188 0.000 1.030 199 S CA 1.447 59.757 58.200 0.184 0.000 0.958 199 S CB 0.248 63.657 63.200 0.348 0.000 0.811 199 S HN 2.569 nan 8.310 nan 0.000 0.489 200 G N 1.253 110.145 108.800 0.152 0.000 2.548 200 G HA2 -0.103 3.851 3.960 -0.009 0.000 0.208 200 G HA3 -0.103 3.851 3.960 -0.009 0.000 0.208 200 G C -0.407 174.608 174.900 0.191 0.000 1.308 200 G CA -0.307 44.878 45.100 0.142 0.000 0.924 200 G HN 0.812 nan 8.290 nan 0.000 0.540 201 M N -0.079 119.639 119.600 0.197 0.000 2.252 201 M HA 0.491 4.965 4.480 -0.009 0.000 0.348 201 M C -0.533 176.028 176.300 0.436 0.000 1.334 201 M CA -0.406 55.038 55.300 0.240 0.000 1.071 201 M CB -0.072 32.650 32.600 0.202 0.000 1.763 201 M HN 0.465 nan 8.290 nan 0.000 0.452 202 W N 6.177 127.561 121.300 0.139 0.000 2.357 202 W HA 0.376 5.030 4.660 -0.010 0.000 0.317 202 W C -0.151 176.456 176.519 0.145 0.000 1.101 202 W CA -0.642 56.791 57.345 0.146 0.000 1.380 202 W CB -0.181 29.363 29.460 0.139 0.000 1.266 202 W HN 0.639 nan 8.180 nan 0.000 0.419 203 E N 1.171 121.558 120.200 0.311 0.000 2.232 203 E HA 0.306 4.651 4.350 -0.009 0.000 0.265 203 E C 0.150 176.827 176.600 0.129 0.000 1.001 203 E CA -0.791 55.742 56.400 0.220 0.000 0.870 203 E CB 1.295 31.131 29.700 0.227 0.000 1.175 203 E HN 0.262 nan 8.360 nan 0.000 0.407 204 C N 2.021 121.388 119.300 0.112 0.000 3.409 204 C HA -0.095 4.359 4.460 -0.009 0.000 0.273 204 C C -1.941 173.108 174.990 0.099 0.000 1.375 204 C CA -0.674 58.394 59.018 0.083 0.000 2.175 204 C CB -2.674 25.072 27.740 0.011 0.000 1.410 204 C HN 0.509 nan 8.230 nan 0.000 0.550 205 P HA 0.380 nan 4.420 nan 0.000 0.271 205 P C -0.246 177.164 177.300 0.183 0.000 1.218 205 P CA 0.738 63.918 63.100 0.133 0.000 0.780 205 P CB 0.892 32.703 31.700 0.186 0.000 0.901 206 D N 1.081 121.602 120.400 0.201 0.000 2.819 206 D HA 0.576 5.210 4.640 -0.009 0.000 0.232 206 D C -1.998 174.481 176.300 0.298 0.000 1.160 206 D CA -0.451 53.739 54.000 0.317 0.000 0.858 206 D CB 1.203 42.251 40.800 0.412 0.000 1.610 206 D HN 0.139 nan 8.370 nan 0.000 0.481 207 F N 4.696 124.716 119.950 0.116 0.000 2.689 207 F HA 0.549 5.070 4.527 -0.010 0.000 0.332 207 F C -1.995 173.721 175.800 -0.141 0.000 1.209 207 F CA -0.760 57.089 58.000 -0.253 0.000 1.028 207 F CB 0.713 39.437 39.000 -0.460 0.000 1.291 207 F HN 0.242 nan 8.300 nan 0.000 0.500 208 F N 5.461 125.006 119.950 -0.676 0.000 2.628 208 F HA 0.824 5.345 4.527 -0.010 0.000 0.309 208 F C -3.169 172.295 175.800 -0.561 0.000 1.108 208 F CA -2.557 55.154 58.000 -0.482 0.000 0.971 208 F CB 1.294 40.173 39.000 -0.202 0.000 1.279 208 F HN 0.131 nan 8.300 nan 0.000 0.441 209 P HA 0.373 nan 4.420 nan 0.000 0.276 209 P C -1.270 175.876 177.300 -0.256 0.000 1.244 209 P CA -0.374 62.334 63.100 -0.654 0.000 0.801 209 P CB 2.645 34.020 31.700 -0.542 0.000 1.006 210 V N 0.462 120.208 119.914 -0.280 0.000 2.932 210 V HA 0.297 4.411 4.120 -0.009 0.000 0.307 210 V C -0.253 175.777 176.094 -0.107 0.000 1.147 210 V CA -0.552 61.694 62.300 -0.091 0.000 0.951 210 V CB 2.443 34.260 31.823 -0.010 0.000 1.031 210 V HN 0.653 nan 8.190 nan 0.000 0.426 211 T N 3.442 117.973 114.554 -0.039 0.000 2.907 211 T HA 0.255 4.600 4.350 -0.009 0.000 0.298 211 T C 0.951 175.604 174.700 -0.077 0.000 1.017 211 T CA 0.046 62.122 62.100 -0.041 0.000 1.118 211 T CB 1.000 69.872 68.868 0.007 0.000 0.948 211 T HN 0.788 nan 8.240 nan 0.000 0.531 212 R N 3.022 123.424 120.500 -0.164 0.000 2.115 212 R HA 0.155 4.490 4.340 -0.009 0.000 0.226 212 R C -0.457 175.432 176.300 -0.684 0.000 1.100 212 R CA 1.446 57.282 56.100 -0.440 0.000 0.980 212 R CB -0.056 29.924 30.300 -0.533 0.000 0.875 212 R HN 0.613 nan 8.270 nan 0.000 0.445 213 F N -0.359 119.625 119.950 0.056 0.000 2.659 213 F HA 0.603 5.125 4.527 -0.009 0.000 0.342 213 F C 0.074 175.895 175.800 0.034 0.000 1.168 213 F CA -0.131 57.901 58.000 0.054 0.000 1.003 213 F CB 2.432 41.455 39.000 0.038 0.000 1.267 213 F HN 0.222 nan 8.300 nan 0.000 0.463 214 G N 0.669 109.580 108.800 0.184 0.000 2.337 214 G HA2 0.228 4.183 3.960 -0.009 0.000 0.310 214 G HA3 0.228 4.183 3.960 -0.009 0.000 0.310 214 G C -0.027 174.852 174.900 -0.035 0.000 1.534 214 G CA -0.281 44.851 45.100 0.053 0.000 0.982 214 G HN 0.708 nan 8.290 nan 0.000 0.672 215 S N -0.427 115.122 115.700 -0.252 0.000 2.517 215 S HA 0.180 4.644 4.470 -0.009 0.000 0.214 215 S C 0.638 175.079 174.600 -0.265 0.000 0.991 215 S CA 0.283 58.109 58.200 -0.624 0.000 0.906 215 S CB 0.002 62.573 63.200 -1.047 0.000 0.789 215 S HN 0.528 nan 8.310 nan 0.000 0.513 216 N N 2.392 121.025 118.700 -0.110 0.000 2.525 216 N HA 0.460 5.194 4.740 -0.009 0.000 0.271 216 N C 0.324 175.877 175.510 0.072 0.000 1.194 216 N CA 0.346 53.385 53.050 -0.018 0.000 0.964 216 N CB 1.002 39.488 38.487 -0.002 0.000 1.126 216 N HN 0.441 nan 8.380 nan 0.000 0.452 217 G N -0.243 108.643 108.800 0.142 0.000 2.572 217 G HA2 0.409 4.363 3.960 -0.009 0.000 0.261 217 G HA3 0.409 4.363 3.960 -0.009 0.000 0.261 217 G C -0.523 174.474 174.900 0.162 0.000 1.197 217 G CA -0.330 44.895 45.100 0.208 0.000 0.870 217 G HN 0.324 nan 8.290 nan 0.000 0.548 218 V N 0.954 120.830 119.914 -0.063 0.000 2.495 218 V HA 0.257 4.371 4.120 -0.009 0.000 0.298 218 V C 0.197 175.808 176.094 -0.804 0.000 1.031 218 V CA -1.083 61.030 62.300 -0.312 0.000 0.871 218 V CB 1.648 33.355 31.823 -0.194 0.000 0.988 218 V HN 0.764 nan 8.190 nan 0.000 0.432 219 E N 2.273 121.801 120.200 -1.120 0.000 2.608 219 E HA -0.054 4.290 4.350 -0.009 0.000 0.259 219 E C 1.208 177.533 176.600 -0.458 0.000 0.951 219 E CA 0.497 56.260 56.400 -1.061 0.000 0.945 219 E CB 1.161 30.563 29.700 -0.497 0.000 0.916 219 E HN 0.809 nan 8.360 nan 0.000 0.477 220 T N 2.598 117.008 114.554 -0.240 0.000 2.849 220 T HA -0.111 4.234 4.350 -0.009 0.000 0.270 220 T C 1.467 176.187 174.700 0.033 0.000 1.066 220 T CA 1.611 63.702 62.100 -0.015 0.000 1.130 220 T CB 0.116 69.098 68.868 0.191 0.000 0.864 220 T HN 0.267 nan 8.240 nan 0.000 0.481 221 S N 0.462 116.158 115.700 -0.008 0.000 2.503 221 S HA 0.211 4.675 4.470 -0.009 0.000 0.215 221 S C 1.014 175.352 174.600 -0.437 0.000 1.003 221 S CA -0.289 57.866 58.200 -0.075 0.000 0.910 221 S CB 0.134 63.304 63.200 -0.050 0.000 0.790 221 S HN 0.325 nan 8.310 nan 0.000 0.514 222 S N 2.024 117.514 115.700 -0.349 0.000 2.571 222 S HA 0.066 4.530 4.470 -0.009 0.000 0.298 222 S C -0.369 174.025 174.600 -0.345 0.000 1.280 222 S CA 0.418 58.402 58.200 -0.360 0.000 1.052 222 S CB -0.117 62.966 63.200 -0.195 0.000 0.799 222 S HN 0.214 nan 8.310 nan 0.000 0.501 223 F N 0.966 120.959 119.950 0.071 0.000 2.397 223 F HA 0.455 4.977 4.527 -0.009 0.000 0.331 223 F C 1.242 177.079 175.800 0.062 0.000 1.090 223 F CA -1.167 56.883 58.000 0.084 0.000 1.065 223 F CB 0.638 39.679 39.000 0.069 0.000 1.184 223 F HN 0.573 nan 8.300 nan 0.000 0.499 224 G N 1.897 110.871 108.800 0.289 0.000 2.716 224 G HA2 0.222 4.176 3.960 -0.009 0.000 0.296 224 G HA3 0.222 4.176 3.960 -0.009 0.000 0.296 224 G C -0.208 174.772 174.900 0.134 0.000 0.811 224 G CA -0.413 44.787 45.100 0.167 0.000 1.758 224 G HN 0.592 nan 8.290 nan 0.000 0.512 225 E N 2.660 122.930 120.200 0.118 0.000 2.481 225 E HA 0.052 4.396 4.350 -0.009 0.000 0.263 225 E C -1.254 175.388 176.600 0.071 0.000 0.992 225 E CA -0.688 55.765 56.400 0.090 0.000 0.938 225 E CB 0.976 30.724 29.700 0.080 0.000 0.933 225 E HN 0.213 nan 8.360 nan 0.000 0.453 226 P HA -0.156 nan 4.420 nan 0.000 0.226 226 P C 0.215 177.545 177.300 0.052 0.000 1.146 226 P CA 1.115 64.244 63.100 0.049 0.000 0.773 226 P CB 0.124 31.846 31.700 0.037 0.000 0.772 227 N N -1.347 117.386 118.700 0.055 0.000 2.177 227 N HA 0.037 4.772 4.740 -0.009 0.000 0.218 227 N C -0.400 175.148 175.510 0.064 0.000 1.182 227 N CA 0.079 53.163 53.050 0.055 0.000 0.882 227 N CB 0.574 39.089 38.487 0.046 0.000 1.052 227 N HN 0.045 nan 8.380 nan 0.000 0.519 228 E N 1.055 121.296 120.200 0.068 0.000 2.317 228 E HA 0.395 4.739 4.350 -0.009 0.000 0.270 228 E C -1.146 175.492 176.600 0.064 0.000 0.899 228 E CA -0.339 56.103 56.400 0.070 0.000 0.814 228 E CB 2.108 31.844 29.700 0.060 0.000 1.296 228 E HN 0.175 nan 8.360 nan 0.000 0.404 229 I N 3.982 124.592 120.570 0.066 0.000 2.365 229 I HA 0.322 4.487 4.170 -0.009 0.000 0.291 229 I C -0.359 175.751 176.117 -0.011 0.000 1.004 229 I CA -0.432 60.892 61.300 0.040 0.000 1.311 229 I CB 0.588 38.620 38.000 0.054 0.000 1.401 229 I HN 0.293 nan 8.210 nan 0.000 0.491 230 L N 6.602 127.816 121.223 -0.015 0.000 2.342 230 L HA 0.613 4.948 4.340 -0.009 0.000 0.271 230 L C -0.294 176.526 176.870 -0.084 0.000 1.008 230 L CA -0.987 53.806 54.840 -0.079 0.000 0.818 230 L CB 1.812 43.815 42.059 -0.093 0.000 1.296 230 L HN 0.515 nan 8.230 nan 0.000 0.427 231 K N 0.476 120.777 120.400 -0.164 0.000 2.340 231 K HA 0.567 4.881 4.320 -0.009 0.000 0.244 231 K C -1.376 175.041 176.600 -0.305 0.000 0.973 231 K CA -1.044 55.172 56.287 -0.118 0.000 0.828 231 K CB 2.452 34.905 32.500 -0.078 0.000 1.226 231 K HN 0.501 nan 8.250 nan 0.000 0.437 232 H N -0.467 118.562 119.070 -0.068 0.000 2.492 232 H HA 0.386 4.936 4.556 -0.010 0.000 0.345 232 H C -0.804 174.325 175.328 -0.332 0.000 1.136 232 H CA -0.599 55.280 56.048 -0.282 0.000 1.202 232 H CB 1.738 31.348 29.762 -0.255 0.000 1.524 232 H HN 0.075 nan 8.280 nan 0.000 0.506 233 V N 3.846 123.335 119.914 -0.708 0.000 2.459 233 V HA 0.219 4.334 4.120 -0.009 0.000 0.295 233 V C -0.741 174.832 176.094 -0.869 0.000 1.029 233 V CA -0.765 61.074 62.300 -0.769 0.000 0.874 233 V CB 1.657 32.866 31.823 -1.024 0.000 0.985 233 V HN 0.446 nan 8.190 nan 0.000 0.438 234 L N 5.671 126.474 121.223 -0.700 0.000 2.305 234 L HA 0.625 4.959 4.340 -0.009 0.000 0.284 234 L C -0.356 176.337 176.870 -0.295 0.000 1.013 234 L CA 0.037 54.572 54.840 -0.507 0.000 0.819 234 L CB 1.132 42.714 42.059 -0.795 0.000 1.227 234 L HN 0.582 nan 8.230 nan 0.000 0.417 235 K N 7.042 127.358 120.400 -0.140 0.000 2.221 235 K HA 0.585 4.900 4.320 -0.009 0.000 0.258 235 K C -1.307 175.233 176.600 -0.100 0.000 0.944 235 K CA -0.586 55.670 56.287 -0.051 0.000 0.823 235 K CB 1.389 33.994 32.500 0.175 0.000 1.113 235 K HN 0.798 nan 8.250 nan 0.000 0.431 236 I N -0.668 119.805 120.570 -0.161 0.000 2.730 236 I HA 0.414 4.578 4.170 -0.009 0.000 0.298 236 I C -0.683 175.398 176.117 -0.061 0.000 1.089 236 I CA -0.781 60.387 61.300 -0.219 0.000 1.041 236 I CB 2.385 39.973 38.000 -0.688 0.000 1.235 236 I HN 0.253 nan 8.210 nan 0.000 0.423 237 S N 5.422 121.103 115.700 -0.032 0.000 2.438 237 S HA 0.536 5.001 4.470 -0.009 0.000 0.316 237 S C -0.281 174.461 174.600 0.236 0.000 1.084 237 S CA -0.572 57.623 58.200 -0.010 0.000 1.107 237 S CB 0.862 63.810 63.200 -0.420 0.000 0.981 237 S HN 0.427 nan 8.310 nan 0.000 0.466 238 L N 3.487 124.941 121.223 0.385 0.000 2.342 238 L HA 0.180 4.515 4.340 -0.009 0.000 0.285 238 L C 1.371 178.456 176.870 0.359 0.000 1.095 238 L CA -0.407 54.656 54.840 0.373 0.000 0.843 238 L CB 0.541 42.813 42.059 0.356 0.000 1.201 238 L HN 0.611 nan 8.230 nan 0.000 0.445 239 D N 1.606 122.196 120.400 0.317 0.000 2.158 239 D HA -0.225 4.409 4.640 -0.009 0.000 0.197 239 D C 1.333 177.688 176.300 0.091 0.000 0.995 239 D CA 1.526 55.655 54.000 0.215 0.000 0.846 239 D CB 0.413 41.327 40.800 0.189 0.000 0.941 239 D HN 0.531 nan 8.370 nan 0.000 0.456 240 D N -1.139 119.327 120.400 0.109 0.000 2.091 240 D HA -0.102 4.532 4.640 -0.009 0.000 0.199 240 D C 2.157 178.459 176.300 0.003 0.000 0.980 240 D CA 2.210 56.244 54.000 0.056 0.000 0.831 240 D CB -0.835 40.013 40.800 0.081 0.000 0.987 240 D HN 0.411 nan 8.370 nan 0.000 0.460 241 T N -1.938 112.632 114.554 0.027 0.000 3.067 241 T HA 0.021 4.365 4.350 -0.009 0.000 0.261 241 T C 0.820 175.260 174.700 -0.433 0.000 1.110 241 T CA 0.309 62.358 62.100 -0.085 0.000 1.113 241 T CB 0.086 69.037 68.868 0.137 0.000 0.917 241 T HN -0.108 nan 8.240 nan 0.000 0.499 242 K N 0.979 121.217 120.400 -0.270 0.000 3.096 242 K HA -0.149 4.165 4.320 -0.009 0.000 0.266 242 K C -0.706 175.718 176.600 -0.294 0.000 1.043 242 K CA 0.637 56.653 56.287 -0.451 0.000 0.758 242 K CB -2.293 29.884 32.500 -0.539 0.000 1.260 242 K HN 0.870 nan 8.250 nan 0.000 0.481 243 H N -1.420 117.818 119.070 0.282 0.000 2.865 243 H HA 0.433 4.983 4.556 -0.009 0.000 0.372 243 H C -0.820 174.507 175.328 -0.001 0.000 1.173 243 H CA -1.473 54.615 56.048 0.067 0.000 1.147 243 H CB 1.682 31.239 29.762 -0.342 0.000 1.805 243 H HN -0.074 nan 8.280 nan 0.000 0.553 244 D N 1.127 121.495 120.400 -0.054 0.000 2.193 244 D HA 0.228 4.862 4.640 -0.009 0.000 0.244 244 D C -0.962 175.068 176.300 -0.449 0.000 1.064 244 D CA -0.079 53.847 54.000 -0.124 0.000 0.845 244 D CB 0.946 41.797 40.800 0.085 0.000 1.148 244 D HN 0.295 nan 8.370 nan 0.000 0.464 245 Y N 0.942 121.146 120.300 -0.160 0.000 2.536 245 Y HA 0.480 5.025 4.550 -0.010 0.000 0.347 245 Y C -0.241 175.482 175.900 -0.293 0.000 1.000 245 Y CA -1.289 56.655 58.100 -0.260 0.000 1.051 245 Y CB 1.377 39.730 38.460 -0.179 0.000 1.259 245 Y HN 0.325 nan 8.280 nan 0.000 0.468 246 Y N -1.460 118.720 120.300 -0.199 0.000 2.605 246 Y HA 0.908 5.452 4.550 -0.010 0.000 0.343 246 Y C -0.809 175.003 175.900 -0.146 0.000 1.036 246 Y CA -1.437 56.512 58.100 -0.251 0.000 1.065 246 Y CB 1.732 39.970 38.460 -0.370 0.000 1.288 246 Y HN 0.553 nan 8.280 nan 0.000 0.481 247 T N 0.160 114.650 114.554 -0.106 0.000 2.971 247 T HA 0.670 5.015 4.350 -0.009 0.000 0.304 247 T C -1.035 173.416 174.700 -0.416 0.000 1.038 247 T CA -0.644 61.169 62.100 -0.478 0.000 1.007 247 T CB 0.877 69.516 68.868 -0.381 0.000 1.055 247 T HN 0.744 nan 8.240 nan 0.000 0.451 248 I N 2.492 122.575 120.570 -0.811 0.000 2.428 248 I HA 0.717 4.881 4.170 -0.009 0.000 0.289 248 I C 1.047 177.045 176.117 -0.198 0.000 1.019 248 I CA -0.008 61.124 61.300 -0.280 0.000 1.351 248 I CB 1.112 39.085 38.000 -0.045 0.000 1.412 248 I HN 1.097 nan 8.210 nan 0.000 0.513 249 G N 3.002 111.842 108.800 0.067 0.000 2.488 249 G HA2 0.534 4.488 3.960 -0.009 0.000 0.301 249 G HA3 0.534 4.488 3.960 -0.009 0.000 0.301 249 G C -1.188 173.744 174.900 0.053 0.000 1.339 249 G CA -0.654 44.384 45.100 -0.104 0.000 0.803 249 G HN 0.517 nan 8.290 nan 0.000 0.482 250 T N -1.696 112.801 114.554 -0.095 0.000 2.907 250 T HA 0.544 4.888 4.350 -0.009 0.000 0.284 250 T C -1.080 173.735 174.700 0.193 0.000 1.004 250 T CA -0.498 61.660 62.100 0.096 0.000 1.063 250 T CB 2.012 70.903 68.868 0.039 0.000 0.992 250 T HN 0.691 nan 8.240 nan 0.000 0.483 251 Y N 2.344 122.747 120.300 0.172 0.000 2.369 251 Y HA 0.392 4.936 4.550 -0.009 0.000 0.337 251 Y C -0.540 175.421 175.900 0.102 0.000 0.961 251 Y CA -2.121 56.060 58.100 0.136 0.000 1.186 251 Y CB 0.646 38.989 38.460 -0.195 0.000 1.139 251 Y HN 0.737 nan 8.280 nan 0.000 0.494 252 D N 5.979 126.409 120.400 0.051 0.000 2.352 252 D HA 0.150 4.785 4.640 -0.009 0.000 0.245 252 D C 0.799 176.938 176.300 -0.268 0.000 1.224 252 D CA -0.043 53.908 54.000 -0.081 0.000 0.879 252 D CB 0.855 41.666 40.800 0.018 0.000 1.057 252 D HN 0.674 nan 8.370 nan 0.000 0.491 253 R N 2.822 123.101 120.500 -0.369 0.000 2.115 253 R HA -0.052 4.282 4.340 -0.009 0.000 0.230 253 R C 1.755 177.991 176.300 -0.107 0.000 1.111 253 R CA 0.570 56.467 56.100 -0.338 0.000 0.976 253 R CB -0.565 29.604 30.300 -0.219 0.000 0.870 253 R HN 0.351 nan 8.270 nan 0.000 0.445 254 V N 1.974 121.848 119.914 -0.066 0.000 2.216 254 V HA -0.240 3.874 4.120 -0.009 0.000 0.243 254 V C 2.384 178.486 176.094 0.014 0.000 1.044 254 V CA 1.721 64.009 62.300 -0.019 0.000 0.995 254 V CB -0.472 31.343 31.823 -0.015 0.000 0.633 254 V HN 0.267 nan 8.190 nan 0.000 0.446 255 K N -0.824 119.593 120.400 0.028 0.000 2.211 255 K HA -0.191 4.124 4.320 -0.009 0.000 0.204 255 K C 0.789 177.452 176.600 0.105 0.000 1.047 255 K CA 1.228 57.553 56.287 0.063 0.000 0.935 255 K CB -0.255 32.289 32.500 0.073 0.000 0.728 255 K HN 0.516 nan 8.250 nan 0.000 0.452 256 D N 0.385 120.860 120.400 0.124 0.000 2.775 256 D HA -0.122 4.512 4.640 -0.009 0.000 0.235 256 D C -1.100 175.402 176.300 0.336 0.000 1.120 256 D CA 1.007 55.166 54.000 0.264 0.000 0.708 256 D CB -0.784 40.153 40.800 0.229 0.000 1.084 256 D HN 0.159 nan 8.370 nan 0.000 0.434 257 K N 0.220 120.808 120.400 0.313 0.000 2.371 257 K HA 0.448 4.763 4.320 -0.009 0.000 0.251 257 K C -0.520 176.310 176.600 0.383 0.000 0.934 257 K CA -0.957 55.515 56.287 0.309 0.000 0.798 257 K CB 1.475 34.102 32.500 0.212 0.000 1.204 257 K HN 0.033 nan 8.250 nan 0.000 0.427 258 F N 2.983 123.045 119.950 0.186 0.000 2.411 258 F HA 0.281 4.803 4.527 -0.009 0.000 0.355 258 F C -0.663 175.173 175.800 0.060 0.000 1.117 258 F CA -0.547 57.522 58.000 0.115 0.000 1.139 258 F CB 0.813 39.791 39.000 -0.036 0.000 1.120 258 F HN 0.070 nan 8.300 nan 0.000 0.493 259 V N 8.402 127.890 119.914 -0.710 0.000 2.326 259 V HA 0.336 4.450 4.120 -0.009 0.000 0.281 259 V C -2.283 173.257 176.094 -0.925 0.000 1.015 259 V CA -1.934 60.020 62.300 -0.576 0.000 0.823 259 V CB 1.115 32.805 31.823 -0.221 0.000 1.009 259 V HN 0.629 nan 8.190 nan 0.000 0.436 260 P HA 0.214 nan 4.420 nan 0.000 0.276 260 P C -0.696 176.493 177.300 -0.185 0.000 1.235 260 P CA -0.386 62.398 63.100 -0.527 0.000 0.772 260 P CB 0.254 31.815 31.700 -0.231 0.000 0.871 261 D N 1.676 122.028 120.400 -0.080 0.000 2.348 261 D HA 0.023 4.657 4.640 -0.009 0.000 0.259 261 D C 0.471 176.919 176.300 0.245 0.000 1.296 261 D CA -0.584 53.462 54.000 0.077 0.000 0.931 261 D CB -0.389 40.466 40.800 0.091 0.000 1.067 261 D HN 0.227 nan 8.370 nan 0.000 0.503 262 N N 1.761 120.554 118.700 0.155 0.000 2.453 262 N HA 0.198 4.933 4.740 -0.009 0.000 0.253 262 N C -0.019 175.543 175.510 0.087 0.000 1.252 262 N CA -0.525 52.623 53.050 0.164 0.000 0.917 262 N CB 1.249 39.798 38.487 0.105 0.000 1.117 262 N HN 0.442 nan 8.380 nan 0.000 0.442 263 G N 0.884 109.690 108.800 0.010 0.000 2.461 263 G HA2 0.605 4.560 3.960 -0.009 0.000 0.323 263 G HA3 0.605 4.560 3.960 -0.009 0.000 0.323 263 G C -0.662 174.068 174.900 -0.284 0.000 1.229 263 G CA -0.715 44.383 45.100 -0.004 0.000 0.941 263 G HN 0.462 nan 8.290 nan 0.000 0.477 269 T N -2.257 112.331 114.554 0.057 0.000 4.331 269 T HA 0.041 4.385 4.350 -0.009 0.000 0.323 269 T C 0.600 175.336 174.700 0.060 0.000 0.836 269 T CA 1.601 63.736 62.100 0.058 0.000 1.985 269 T CB -1.767 67.115 68.868 0.024 0.000 1.919 269 T HN 2.343 nan 8.240 nan 0.000 0.905 270 A N 1.170 124.049 122.820 0.097 0.000 2.301 270 A HA 0.769 5.083 4.320 -0.009 0.000 0.312 270 A C -1.887 175.784 177.584 0.146 0.000 1.182 270 A CA -1.786 50.330 52.037 0.131 0.000 0.826 270 A CB 0.624 19.676 19.000 0.087 0.000 1.134 270 A HN 0.429 nan 8.150 nan 0.000 0.501 271 P HA 0.276 nan 4.420 nan 0.000 0.269 271 P C -0.407 176.643 177.300 -0.418 0.000 1.209 271 P CA 0.090 63.092 63.100 -0.164 0.000 0.776 271 P CB 0.484 31.916 31.700 -0.447 0.000 0.876 272 R N 1.422 121.625 120.500 -0.495 0.000 2.668 272 R HA 0.323 4.657 4.340 -0.009 0.000 0.279 272 R C 0.717 176.842 176.300 -0.290 0.000 0.976 272 R CA -0.568 55.114 56.100 -0.697 0.000 0.978 272 R CB 0.433 30.008 30.300 -1.209 0.000 1.133 272 R HN 0.420 nan 8.270 nan 0.000 0.484 273 Y N 0.001 120.266 120.300 -0.057 0.000 2.128 273 Y HA -0.145 4.399 4.550 -0.010 0.000 0.284 273 Y C 0.860 176.552 175.900 -0.345 0.000 1.154 273 Y CA 1.287 59.334 58.100 -0.088 0.000 1.149 273 Y CB 0.134 38.475 38.460 -0.197 0.000 0.976 273 Y HN 0.448 nan 8.280 nan 0.000 0.505 274 D N -2.109 118.036 120.400 -0.425 0.000 2.896 274 D HA 0.106 4.741 4.640 -0.009 0.000 0.241 274 D C -1.115 174.854 176.300 -0.550 0.000 1.188 274 D CA -0.628 53.074 54.000 -0.498 0.000 0.879 274 D CB 0.917 41.215 40.800 -0.836 0.000 1.553 274 D HN 0.045 nan 8.370 nan 0.000 0.515 275 Y N 1.463 121.586 120.300 -0.295 0.000 2.532 275 Y HA 0.334 4.879 4.550 -0.009 0.000 0.283 275 Y C 1.360 177.006 175.900 -0.424 0.000 1.181 275 Y CA -0.089 57.823 58.100 -0.312 0.000 1.256 275 Y CB 1.163 39.491 38.460 -0.219 0.000 1.112 275 Y HN 0.409 nan 8.280 nan 0.000 0.521 276 G N -0.368 108.124 108.800 -0.513 0.000 3.264 276 G HA2 0.263 4.218 3.960 -0.009 0.000 0.168 276 G HA3 0.263 4.218 3.960 -0.009 0.000 0.168 276 G C -1.105 173.263 174.900 -0.887 0.000 1.145 276 G CA -0.857 43.501 45.100 -1.237 0.000 0.855 276 G HN -0.113 nan 8.290 nan 0.000 0.629 277 K N 0.120 120.065 120.400 -0.757 0.000 2.262 277 K HA 0.459 4.773 4.320 -0.009 0.000 0.288 277 K C -1.876 174.648 176.600 -0.127 0.000 1.090 277 K CA -0.249 55.846 56.287 -0.319 0.000 0.918 277 K CB -0.572 31.817 32.500 -0.186 0.000 1.139 277 K HN 0.423 nan 8.250 nan 0.000 0.462 278 Y N 3.964 124.137 120.300 -0.210 0.000 2.376 278 Y HA 0.372 4.917 4.550 -0.008 0.000 0.321 278 Y C -2.108 173.823 175.900 0.051 0.000 1.189 278 Y CA -0.893 57.143 58.100 -0.107 0.000 1.069 278 Y CB 0.928 39.322 38.460 -0.111 0.000 1.292 278 Y HN 0.582 nan 8.280 nan 0.000 0.430 279 Y N 3.659 123.742 120.300 -0.362 0.000 2.656 279 Y HA 0.554 5.099 4.550 -0.009 0.000 0.334 279 Y C 0.068 176.001 175.900 0.055 0.000 1.179 279 Y CA -0.494 57.550 58.100 -0.093 0.000 1.050 279 Y CB 1.986 40.387 38.460 -0.097 0.000 1.308 279 Y HN 0.974 nan 8.280 nan 0.000 0.456 280 A N 1.791 124.291 122.820 -0.534 0.000 2.783 280 A HA -0.147 4.167 4.320 -0.009 0.000 0.292 280 A C 0.216 177.771 177.584 -0.049 0.000 1.495 280 A CA 1.048 52.947 52.037 -0.230 0.000 0.787 280 A CB -2.428 16.658 19.000 0.144 0.000 1.017 280 A HN 1.552 nan 8.150 nan 0.000 0.516 281 S N -0.852 114.832 115.700 -0.028 0.000 2.603 281 S HA 0.684 5.149 4.470 -0.009 0.000 0.268 281 S C -0.209 174.493 174.600 0.170 0.000 1.317 281 S CA 0.350 58.606 58.200 0.094 0.000 1.012 281 S CB 1.779 65.136 63.200 0.262 0.000 0.926 281 S HN 1.036 nan 8.310 nan 0.000 0.539 282 K N 0.445 120.961 120.400 0.194 0.000 2.542 282 K HA 0.434 4.748 4.320 -0.009 0.000 0.259 282 K C -1.027 175.710 176.600 0.227 0.000 0.932 282 K CA -0.501 55.911 56.287 0.207 0.000 0.820 282 K CB 1.978 34.581 32.500 0.172 0.000 1.345 282 K HN 0.949 nan 8.250 nan 0.000 0.432 283 T N -0.294 114.348 114.554 0.147 0.000 2.952 283 T HA 0.767 5.111 4.350 -0.009 0.000 0.286 283 T C -0.306 174.554 174.700 0.267 0.000 1.024 283 T CA -0.714 61.406 62.100 0.034 0.000 1.029 283 T CB 0.699 69.299 68.868 -0.447 0.000 1.094 283 T HN 0.468 nan 8.240 nan 0.000 0.515 284 F N -0.844 119.164 119.950 0.096 0.000 2.662 284 F HA 0.780 5.302 4.527 -0.009 0.000 0.312 284 F C -1.648 174.282 175.800 0.218 0.000 1.113 284 F CA -2.111 56.005 58.000 0.192 0.000 0.951 284 F CB 1.252 40.419 39.000 0.279 0.000 1.344 284 F HN 0.584 nan 8.300 nan 0.000 0.462 285 F N 2.826 122.842 119.950 0.110 0.000 2.411 285 F HA 0.332 4.853 4.527 -0.010 0.000 0.355 285 F C -0.013 175.831 175.800 0.072 0.000 1.117 285 F CA -0.924 57.066 58.000 -0.016 0.000 1.139 285 F CB 0.445 39.499 39.000 0.090 0.000 1.120 285 F HN 0.592 nan 8.300 nan 0.000 0.493 286 D N 3.815 123.823 120.400 -0.655 0.000 2.453 286 D HA 0.070 4.704 4.640 -0.009 0.000 0.223 286 D C 1.012 176.812 176.300 -0.832 0.000 1.183 286 D CA 0.163 53.920 54.000 -0.405 0.000 0.933 286 D CB 0.723 41.404 40.800 -0.197 0.000 1.038 286 D HN 0.568 nan 8.370 nan 0.000 0.513 287 S N 2.444 117.717 115.700 -0.711 0.000 2.423 287 S HA -0.115 4.350 4.470 -0.009 0.000 0.231 287 S C 2.052 176.505 174.600 -0.245 0.000 1.014 287 S CA 0.544 58.402 58.200 -0.570 0.000 0.965 287 S CB -0.089 63.046 63.200 -0.109 0.000 0.785 287 S HN 0.406 nan 8.310 nan 0.000 0.495 288 A N 2.372 125.087 122.820 -0.175 0.000 1.908 288 A HA -0.023 4.291 4.320 -0.009 0.000 0.218 288 A C 2.070 179.608 177.584 -0.077 0.000 1.181 288 A CA 1.462 53.439 52.037 -0.100 0.000 0.627 288 A CB -0.319 18.628 19.000 -0.089 0.000 0.818 288 A HN 0.577 nan 8.150 nan 0.000 0.445 289 K N -1.129 119.214 120.400 -0.094 0.000 2.469 289 K HA 0.137 4.451 4.320 -0.009 0.000 0.204 289 K C -0.582 175.965 176.600 -0.089 0.000 1.047 289 K CA -0.176 56.070 56.287 -0.069 0.000 1.072 289 K CB 0.456 32.935 32.500 -0.034 0.000 0.863 289 K HN 0.396 nan 8.250 nan 0.000 0.530 290 N N 2.779 121.389 118.700 -0.150 0.000 2.714 290 N HA -0.195 4.539 4.740 -0.009 0.000 0.253 290 N C -1.027 174.498 175.510 0.025 0.000 1.024 290 N CA 1.156 54.194 53.050 -0.020 0.000 0.726 290 N CB -0.837 37.704 38.487 0.091 0.000 0.908 290 N HN 0.505 nan 8.380 nan 0.000 0.542 291 R N -1.084 119.369 120.500 -0.079 0.000 2.795 291 R HA 0.607 4.941 4.340 -0.009 0.000 0.275 291 R C -0.379 175.887 176.300 -0.056 0.000 0.981 291 R CA -1.053 55.029 56.100 -0.029 0.000 0.917 291 R CB 2.078 32.332 30.300 -0.077 0.000 1.202 291 R HN 0.093 nan 8.270 nan 0.000 0.469 292 R N 2.038 122.532 120.500 -0.011 0.000 2.254 292 R HA 0.343 4.678 4.340 -0.009 0.000 0.318 292 R C -0.979 175.152 176.300 -0.281 0.000 1.031 292 R CA -0.511 55.502 56.100 -0.144 0.000 0.905 292 R CB 0.745 30.957 30.300 -0.146 0.000 1.050 292 R HN 0.577 nan 8.270 nan 0.000 0.456 293 I N 4.810 125.077 120.570 -0.506 0.000 2.412 293 I HA 0.251 4.415 4.170 -0.009 0.000 0.296 293 I C -0.780 175.134 176.117 -0.339 0.000 0.987 293 I CA -0.660 60.364 61.300 -0.459 0.000 1.180 293 I CB 1.734 39.395 38.000 -0.565 0.000 1.340 293 I HN 0.515 nan 8.210 nan 0.000 0.455 294 L N 6.764 127.808 121.223 -0.297 0.000 2.296 294 L HA 0.535 4.870 4.340 -0.009 0.000 0.286 294 L C -1.572 175.197 176.870 -0.168 0.000 1.023 294 L CA -0.113 54.600 54.840 -0.212 0.000 0.812 294 L CB 0.728 42.582 42.059 -0.341 0.000 1.223 294 L HN 0.485 nan 8.230 nan 0.000 0.421 295 W N 3.872 125.193 121.300 0.034 0.000 2.496 295 W HA 0.736 5.391 4.660 -0.009 0.000 0.327 295 W C 0.346 176.862 176.519 -0.005 0.000 1.086 295 W CA -0.452 56.910 57.345 0.029 0.000 1.222 295 W CB 2.228 31.691 29.460 0.004 0.000 1.304 295 W HN 0.751 nan 8.180 nan 0.000 0.547 296 G N 1.965 110.899 108.800 0.222 0.000 2.701 296 G HA2 0.386 4.340 3.960 -0.009 0.000 0.300 296 G HA3 0.386 4.340 3.960 -0.009 0.000 0.300 296 G C -2.503 172.315 174.900 -0.135 0.000 1.410 296 G CA -0.863 44.085 45.100 -0.254 0.000 1.014 296 G HN 0.454 nan 8.290 nan 0.000 0.509 297 W N 3.055 124.147 121.300 -0.346 0.000 2.322 297 W HA 0.637 5.289 4.660 -0.012 0.000 0.307 297 W C -0.479 175.934 176.519 -0.177 0.000 1.220 297 W CA -0.753 56.482 57.345 -0.184 0.000 1.210 297 W CB 1.339 30.735 29.460 -0.106 0.000 1.223 297 W HN 0.372 nan 8.180 nan 0.000 0.511 298 T N 7.834 122.194 114.554 -0.324 0.000 2.788 298 T HA 0.138 4.482 4.350 -0.009 0.000 0.296 298 T C 0.330 174.695 174.700 -0.557 0.000 1.009 298 T CA -0.732 61.105 62.100 -0.438 0.000 0.949 298 T CB 0.152 68.924 68.868 -0.160 0.000 0.946 298 T HN 0.526 nan 8.240 nan 0.000 0.453 299 N N 2.795 120.974 118.700 -0.868 0.000 2.364 299 N HA 0.131 4.865 4.740 -0.009 0.000 0.264 299 N C -0.243 175.174 175.510 -0.155 0.000 1.263 299 N CA -0.519 52.236 53.050 -0.492 0.000 0.959 299 N CB 0.507 38.635 38.487 -0.598 0.000 1.204 299 N HN 0.277 nan 8.380 nan 0.000 0.550 300 E N -0.614 119.573 120.200 -0.022 0.000 2.366 300 E HA 0.151 4.495 4.350 -0.009 0.000 0.266 300 E C -0.044 176.587 176.600 0.052 0.000 1.051 300 E CA -0.174 56.262 56.400 0.061 0.000 0.884 300 E CB 0.741 30.431 29.700 -0.016 0.000 1.006 300 E HN 0.621 nan 8.360 nan 0.000 0.417 301 S N 0.282 116.091 115.700 0.182 0.000 2.524 301 S HA 0.002 4.466 4.470 -0.009 0.000 0.215 301 S C 0.797 175.418 174.600 0.034 0.000 0.986 301 S CA -0.156 58.127 58.200 0.138 0.000 0.911 301 S CB 0.256 63.565 63.200 0.181 0.000 0.805 301 S HN 0.563 nan 8.310 nan 0.000 0.501 302 S N 2.374 117.945 115.700 -0.216 0.000 2.596 302 S HA 0.358 4.823 4.470 -0.009 0.000 0.260 302 S C 0.534 174.972 174.600 -0.270 0.000 1.336 302 S CA -0.598 57.288 58.200 -0.524 0.000 0.993 302 S CB 0.445 62.980 63.200 -1.108 0.000 0.923 302 S HN 0.383 nan 8.310 nan 0.000 0.567 303 S N -0.017 115.539 115.700 -0.240 0.000 2.584 303 S HA 0.147 4.611 4.470 -0.009 0.000 0.270 303 S C 0.953 175.473 174.600 -0.134 0.000 1.346 303 S CA -0.385 57.728 58.200 -0.145 0.000 1.018 303 S CB 0.880 64.007 63.200 -0.121 0.000 0.899 303 S HN 0.882 nan 8.310 nan 0.000 0.542 304 V N 1.267 121.136 119.914 -0.075 0.000 2.515 304 V HA -0.124 3.990 4.120 -0.009 0.000 0.250 304 V C 2.628 178.682 176.094 -0.067 0.000 1.058 304 V CA 2.328 64.600 62.300 -0.047 0.000 1.064 304 V CB -0.999 30.815 31.823 -0.014 0.000 0.675 304 V HN 1.068 nan 8.190 nan 0.000 0.461 305 E N -0.237 119.919 120.200 -0.074 0.000 2.058 305 E HA -0.295 4.050 4.350 -0.009 0.000 0.194 305 E C 1.755 178.299 176.600 -0.094 0.000 0.997 305 E CA 2.035 58.392 56.400 -0.071 0.000 0.801 305 E CB -0.065 29.597 29.700 -0.063 0.000 0.746 305 E HN 0.693 nan 8.360 nan 0.000 0.450 306 D N 0.481 120.798 120.400 -0.138 0.000 2.149 306 D HA -0.123 4.511 4.640 -0.009 0.000 0.201 306 D C 1.502 177.666 176.300 -0.227 0.000 0.972 306 D CA 0.965 54.857 54.000 -0.180 0.000 0.835 306 D CB -0.301 40.343 40.800 -0.260 0.000 0.966 306 D HN 0.200 nan 8.370 nan 0.000 0.476 307 D N 0.138 120.394 120.400 -0.240 0.000 2.092 307 D HA -0.124 4.510 4.640 -0.009 0.000 0.193 307 D C 2.272 178.474 176.300 -0.164 0.000 0.994 307 D CA 0.684 54.528 54.000 -0.259 0.000 0.828 307 D CB -0.524 40.202 40.800 -0.123 0.000 0.963 307 D HN 0.055 nan 8.370 nan 0.000 0.450 308 V N 1.074 120.936 119.914 -0.087 0.000 2.380 308 V HA -0.234 3.880 4.120 -0.009 0.000 0.251 308 V C 2.423 178.490 176.094 -0.045 0.000 1.063 308 V CA 1.826 64.098 62.300 -0.046 0.000 1.055 308 V CB -0.429 31.373 31.823 -0.035 0.000 0.657 308 V HN 0.259 nan 8.190 nan 0.000 0.455 309 E N 0.736 120.898 120.200 -0.063 0.000 2.072 309 E HA -0.231 4.114 4.350 -0.009 0.000 0.190 309 E C 2.297 178.883 176.600 -0.024 0.000 0.982 309 E CA 1.373 57.751 56.400 -0.037 0.000 0.803 309 E CB -0.020 29.658 29.700 -0.037 0.000 0.755 309 E HN 0.780 nan 8.360 nan 0.000 0.453 310 K N -0.935 119.417 120.400 -0.080 0.000 2.365 310 K HA 0.019 4.334 4.320 -0.009 0.000 0.199 310 K C 1.256 177.896 176.600 0.066 0.000 1.045 310 K CA 1.069 57.334 56.287 -0.038 0.000 0.962 310 K CB 0.167 32.555 32.500 -0.186 0.000 0.759 310 K HN 0.200 nan 8.250 nan 0.000 0.469 311 G N 1.213 110.016 108.800 0.004 0.000 2.141 311 G HA2 -0.198 3.756 3.960 -0.009 0.000 0.242 311 G HA3 -0.198 3.756 3.960 -0.009 0.000 0.242 311 G C -0.321 174.745 174.900 0.276 0.000 0.982 311 G CA 0.298 45.482 45.100 0.139 0.000 0.662 311 G HN 0.512 nan 8.290 nan 0.000 0.527 312 W N -1.468 119.887 121.300 0.092 0.000 3.025 312 W HA 0.802 5.457 4.660 -0.009 0.000 0.343 312 W C -0.748 175.841 176.519 0.116 0.000 1.246 312 W CA -0.894 56.519 57.345 0.112 0.000 1.178 312 W CB 1.124 30.639 29.460 0.092 0.000 1.463 312 W HN 0.730 nan 8.180 nan 0.000 0.578 313 S N 0.831 116.744 115.700 0.354 0.000 2.592 313 S HA 0.602 5.067 4.470 -0.009 0.000 0.275 313 S C -0.463 174.215 174.600 0.129 0.000 1.169 313 S CA 0.583 58.872 58.200 0.148 0.000 0.958 313 S CB 0.459 63.780 63.200 0.202 0.000 1.095 313 S HN 2.030 nan 8.310 nan 0.000 0.471 314 G N 3.187 112.120 108.800 0.222 0.000 2.895 314 G HA2 0.078 4.032 3.960 -0.009 0.000 0.686 314 G HA3 0.078 4.032 3.960 -0.009 0.000 0.686 314 G C -0.832 174.203 174.900 0.226 0.000 1.108 314 G CA -0.293 44.937 45.100 0.217 0.000 0.761 314 G HN 1.679 nan 8.290 nan 0.000 0.611 315 I N -1.983 118.715 120.570 0.214 0.000 3.174 315 I HA 0.855 5.019 4.170 -0.009 0.000 0.313 315 I C -0.388 175.852 176.117 0.205 0.000 1.155 315 I CA -1.470 59.911 61.300 0.136 0.000 0.977 315 I CB 2.209 40.245 38.000 0.061 0.000 1.248 315 I HN 0.477 nan 8.210 nan 0.000 0.453 316 Q N 2.218 122.152 119.800 0.223 0.000 2.235 316 Q HA 0.374 4.708 4.340 -0.009 0.000 0.256 316 Q C -0.229 175.966 176.000 0.324 0.000 0.951 316 Q CA -0.550 55.416 55.803 0.272 0.000 0.890 316 Q CB 2.042 30.969 28.738 0.315 0.000 1.279 316 Q HN 0.899 nan 8.270 nan 0.000 0.444 317 T N -1.684 113.046 114.554 0.293 0.000 2.734 317 T HA 0.225 4.570 4.350 -0.009 0.000 0.314 317 T C 0.871 175.702 174.700 0.219 0.000 1.057 317 T CA -0.729 61.578 62.100 0.346 0.000 1.047 317 T CB 0.358 69.410 68.868 0.307 0.000 0.991 317 T HN 0.353 nan 8.240 nan 0.000 0.540 318 I N 2.206 122.823 120.570 0.077 0.000 2.683 318 I HA 0.190 4.354 4.170 -0.009 0.000 0.286 318 I C -2.072 173.946 176.117 -0.166 0.000 1.175 318 I CA -2.706 58.534 61.300 -0.100 0.000 1.429 318 I CB -0.537 37.393 38.000 -0.116 0.000 1.371 318 I HN 0.509 nan 8.210 nan 0.000 0.569 319 P HA 0.171 nan 4.420 nan 0.000 0.271 319 P C -0.621 176.467 177.300 -0.353 0.000 1.216 319 P CA -0.185 62.537 63.100 -0.630 0.000 0.771 319 P CB 0.434 31.472 31.700 -1.103 0.000 0.864 320 R N 2.075 122.416 120.500 -0.264 0.000 2.532 320 R HA 0.499 4.833 4.340 -0.009 0.000 0.295 320 R C -0.143 176.080 176.300 -0.129 0.000 0.968 320 R CA -1.070 54.938 56.100 -0.153 0.000 0.916 320 R CB 1.320 31.583 30.300 -0.063 0.000 1.124 320 R HN 0.360 nan 8.270 nan 0.000 0.463 321 K N 2.364 122.764 120.400 -0.001 0.000 2.350 321 K HA 0.247 4.561 4.320 -0.009 0.000 0.279 321 K C -0.694 176.025 176.600 0.199 0.000 1.027 321 K CA -0.192 56.163 56.287 0.114 0.000 0.969 321 K CB 0.647 33.292 32.500 0.243 0.000 0.954 321 K HN 0.622 nan 8.250 nan 0.000 0.474 322 I N 5.595 126.264 120.570 0.165 0.000 2.499 322 I HA 0.472 4.637 4.170 -0.009 0.000 0.288 322 I C -1.674 174.590 176.117 0.246 0.000 1.048 322 I CA -0.619 60.706 61.300 0.041 0.000 1.062 322 I CB 0.820 38.726 38.000 -0.157 0.000 1.238 322 I HN 0.866 nan 8.210 nan 0.000 0.426 323 W N 6.616 127.910 121.300 -0.010 0.000 3.018 323 W HA 0.562 5.216 4.660 -0.010 0.000 0.352 323 W C -2.355 174.173 176.519 0.015 0.000 1.230 323 W CA -1.069 56.277 57.345 0.003 0.000 1.162 323 W CB 0.566 30.026 29.460 0.000 0.000 1.483 323 W HN 0.189 nan 8.180 nan 0.000 0.584 324 L N 3.277 124.610 121.223 0.184 0.000 2.331 324 L HA 0.136 4.470 4.340 -0.009 0.000 0.278 324 L C 0.483 177.426 176.870 0.122 0.000 1.106 324 L CA 0.037 54.918 54.840 0.067 0.000 0.824 324 L CB 0.706 42.790 42.059 0.041 0.000 1.142 324 L HN 0.643 nan 8.230 nan 0.000 0.443 325 D N 4.346 124.769 120.400 0.038 0.000 2.362 325 D HA -0.016 4.619 4.640 -0.009 0.000 0.242 325 D C 1.029 177.414 176.300 0.142 0.000 1.132 325 D CA -0.291 53.767 54.000 0.096 0.000 0.907 325 D CB 1.085 41.921 40.800 0.060 0.000 1.195 325 D HN 0.521 nan 8.370 nan 0.000 0.429 326 R N 0.883 121.498 120.500 0.191 0.000 2.117 326 R HA -0.159 4.175 4.340 -0.009 0.000 0.243 326 R C 2.243 178.666 176.300 0.205 0.000 1.143 326 R CA 1.677 57.921 56.100 0.241 0.000 0.968 326 R CB -0.436 30.008 30.300 0.239 0.000 0.863 326 R HN 0.614 nan 8.270 nan 0.000 0.444 327 S N -0.923 114.865 115.700 0.147 0.000 2.419 327 S HA -0.088 4.376 4.470 -0.009 0.000 0.233 327 S C 1.544 176.206 174.600 0.103 0.000 1.016 327 S CA 1.391 59.664 58.200 0.122 0.000 0.974 327 S CB -0.129 63.130 63.200 0.098 0.000 0.786 327 S HN 0.555 nan 8.310 nan 0.000 0.492 328 G N 0.956 109.809 108.800 0.088 0.000 2.143 328 G HA2 -0.276 3.678 3.960 -0.009 0.000 0.249 328 G HA3 -0.276 3.678 3.960 -0.009 0.000 0.249 328 G C 0.664 175.648 174.900 0.140 0.000 0.981 328 G CA 0.573 45.713 45.100 0.067 0.000 0.665 328 G HN 0.604 nan 8.290 nan 0.000 0.528 329 K N -0.284 120.206 120.400 0.150 0.000 2.361 329 K HA 0.222 4.536 4.320 -0.009 0.000 0.194 329 K C 1.118 177.889 176.600 0.284 0.000 1.032 329 K CA 1.117 57.514 56.287 0.185 0.000 1.048 329 K CB 0.310 32.852 32.500 0.071 0.000 0.842 329 K HN 0.789 nan 8.250 nan 0.000 0.526 330 Q N -0.261 119.695 119.800 0.259 0.000 2.534 330 Q HA 0.388 4.722 4.340 -0.009 0.000 0.290 330 Q C -1.351 174.767 176.000 0.196 0.000 0.991 330 Q CA -0.917 55.091 55.803 0.341 0.000 0.783 330 Q CB 1.029 29.936 28.738 0.283 0.000 1.470 330 Q HN -0.093 nan 8.270 nan 0.000 0.406 331 L N 1.471 122.788 121.223 0.157 0.000 2.357 331 L HA 0.560 4.895 4.340 -0.009 0.000 0.273 331 L C -0.306 176.465 176.870 -0.164 0.000 1.080 331 L CA -0.940 53.832 54.840 -0.114 0.000 0.803 331 L CB 1.040 42.901 42.059 -0.329 0.000 1.174 331 L HN 0.558 nan 8.230 nan 0.000 0.443 332 I N 1.918 122.202 120.570 -0.477 0.000 2.377 332 I HA 0.335 4.500 4.170 -0.009 0.000 0.293 332 I C -0.493 175.164 176.117 -0.767 0.000 0.987 332 I CA -0.568 60.329 61.300 -0.672 0.000 1.185 332 I CB 1.757 39.105 38.000 -1.086 0.000 1.341 332 I HN 0.615 nan 8.210 nan 0.000 0.455 333 Q N 5.454 125.060 119.800 -0.323 0.000 2.345 333 Q HA 0.517 4.851 4.340 -0.009 0.000 0.268 333 Q C -1.462 174.636 176.000 0.164 0.000 1.054 333 Q CA -0.682 55.052 55.803 -0.116 0.000 0.835 333 Q CB 3.203 31.943 28.738 0.003 0.000 1.339 333 Q HN 0.602 nan 8.270 nan 0.000 0.447 334 W N 2.771 124.013 121.300 -0.096 0.000 3.615 334 W HA 0.286 4.941 4.660 -0.008 0.000 0.319 334 W C -2.993 173.424 176.519 -0.171 0.000 1.172 334 W CA -1.947 55.303 57.345 -0.158 0.000 1.240 334 W CB 1.747 31.255 29.460 0.081 0.000 1.313 334 W HN 0.448 nan 8.180 nan 0.000 0.487 335 P HA -0.112 nan 4.420 nan 0.000 0.261 335 P C 0.225 177.352 177.300 -0.287 0.000 1.173 335 P CA 0.482 63.300 63.100 -0.471 0.000 0.760 335 P CB 0.325 31.633 31.700 -0.652 0.000 0.783 336 V N 2.580 122.377 119.914 -0.196 0.000 2.872 336 V HA -0.102 4.013 4.120 -0.009 0.000 0.302 336 V C 1.647 177.659 176.094 -0.137 0.000 1.166 336 V CA 0.208 62.422 62.300 -0.144 0.000 1.298 336 V CB -0.185 31.526 31.823 -0.187 0.000 0.894 336 V HN 0.517 nan 8.190 nan 0.000 0.509 337 R N 1.695 122.147 120.500 -0.080 0.000 2.193 337 R HA -0.123 4.211 4.340 -0.009 0.000 0.229 337 R C 1.930 178.154 176.300 -0.125 0.000 1.110 337 R CA 1.554 57.607 56.100 -0.080 0.000 0.988 337 R CB -0.110 30.168 30.300 -0.037 0.000 0.871 337 R HN 0.882 nan 8.270 nan 0.000 0.458 338 E N 0.468 120.590 120.200 -0.130 0.000 2.160 338 E HA -0.146 4.198 4.350 -0.009 0.000 0.195 338 E C 1.781 178.288 176.600 -0.155 0.000 0.991 338 E CA 0.754 57.072 56.400 -0.136 0.000 0.810 338 E CB -0.209 29.407 29.700 -0.139 0.000 0.742 338 E HN 0.014 nan 8.360 nan 0.000 0.466 339 V N 0.877 120.689 119.914 -0.169 0.000 2.867 339 V HA -0.238 3.876 4.120 -0.009 0.000 0.260 339 V C 1.366 177.308 176.094 -0.254 0.000 1.099 339 V CA 1.631 63.819 62.300 -0.186 0.000 1.122 339 V CB -0.257 31.467 31.823 -0.165 0.000 0.708 339 V HN 0.286 nan 8.190 nan 0.000 0.490 340 E N -0.534 119.514 120.200 -0.254 0.000 2.347 340 E HA -0.139 4.205 4.350 -0.009 0.000 0.196 340 E C 2.255 178.678 176.600 -0.296 0.000 1.008 340 E CA 0.451 56.657 56.400 -0.322 0.000 0.852 340 E CB -0.058 29.457 29.700 -0.308 0.000 0.783 340 E HN 0.591 nan 8.360 nan 0.000 0.505 341 R N 0.363 120.731 120.500 -0.219 0.000 2.152 341 R HA -0.062 4.272 4.340 -0.009 0.000 0.232 341 R C 2.008 178.202 176.300 -0.177 0.000 1.117 341 R CA 0.713 56.708 56.100 -0.175 0.000 0.981 341 R CB -0.164 30.055 30.300 -0.134 0.000 0.870 341 R HN 0.181 nan 8.270 nan 0.000 0.451 342 L N 0.484 121.577 121.223 -0.218 0.000 2.551 342 L HA -0.018 4.316 4.340 -0.009 0.000 0.228 342 L C 0.681 177.417 176.870 -0.224 0.000 1.153 342 L CA 0.346 55.052 54.840 -0.224 0.000 0.851 342 L CB -0.179 41.686 42.059 -0.324 0.000 0.959 342 L HN 0.035 nan 8.230 nan 0.000 0.451 343 R N 0.286 120.635 120.500 -0.252 0.000 2.570 343 R HA 0.048 4.382 4.340 -0.009 0.000 0.277 343 R C 0.659 176.917 176.300 -0.070 0.000 1.039 343 R CA 0.013 55.990 56.100 -0.206 0.000 1.065 343 R CB 0.496 30.518 30.300 -0.463 0.000 0.964 343 R HN -0.067 nan 8.270 nan 0.000 0.428 344 T N 1.250 115.829 114.554 0.041 0.000 2.734 344 T HA 0.001 4.346 4.350 -0.009 0.000 0.314 344 T C 1.310 176.079 174.700 0.116 0.000 1.057 344 T CA -0.191 61.949 62.100 0.068 0.000 1.047 344 T CB 0.569 69.486 68.868 0.082 0.000 0.991 344 T HN 0.507 nan 8.240 nan 0.000 0.540 345 K N 1.465 121.912 120.400 0.078 0.000 2.044 345 K HA 0.008 4.322 4.320 -0.009 0.000 0.204 345 K C 0.911 177.579 176.600 0.112 0.000 1.049 345 K CA 0.776 57.113 56.287 0.083 0.000 0.945 345 K CB -0.278 32.247 32.500 0.042 0.000 0.724 345 K HN 0.442 nan 8.250 nan 0.000 0.440 346 Q N 2.072 121.917 119.800 0.076 0.000 2.325 346 Q HA 0.077 4.411 4.340 -0.009 0.000 0.256 346 Q C -0.910 175.103 176.000 0.021 0.000 1.142 346 Q CA 0.032 55.860 55.803 0.042 0.000 0.902 346 Q CB 0.671 29.418 28.738 0.016 0.000 1.350 346 Q HN 0.059 nan 8.270 nan 0.000 0.449 347 V N 3.742 123.645 119.914 -0.019 0.000 2.461 347 V HA 0.281 4.395 4.120 -0.009 0.000 0.275 347 V C -0.361 175.578 176.094 -0.259 0.000 1.047 347 V CA -0.708 61.439 62.300 -0.255 0.000 0.955 347 V CB 1.166 32.799 31.823 -0.316 0.000 0.988 347 V HN 0.555 nan 8.190 nan 0.000 0.471 348 K N 6.770 126.983 120.400 -0.313 0.000 2.285 348 K HA 0.325 4.639 4.320 -0.009 0.000 0.286 348 K C -0.235 176.203 176.600 -0.270 0.000 1.072 348 K CA 0.273 56.428 56.287 -0.219 0.000 0.913 348 K CB 0.202 32.609 32.500 -0.155 0.000 1.067 348 K HN 0.894 nan 8.250 nan 0.000 0.479 349 N N 4.957 123.545 118.700 -0.188 0.000 2.269 349 N HA 0.452 5.187 4.740 -0.009 0.000 0.304 349 N C -1.495 173.947 175.510 -0.114 0.000 1.072 349 N CA -0.579 52.366 53.050 -0.176 0.000 0.802 349 N CB 0.852 39.250 38.487 -0.148 0.000 1.348 349 N HN 0.438 nan 8.380 nan 0.000 0.484 350 L N 3.055 124.212 121.223 -0.111 0.000 2.441 350 L HA 0.499 4.833 4.340 -0.009 0.000 0.270 350 L C -0.232 176.593 176.870 -0.075 0.000 0.973 350 L CA -0.654 54.140 54.840 -0.078 0.000 0.842 350 L CB 2.095 44.111 42.059 -0.072 0.000 1.239 350 L HN 0.457 nan 8.230 nan 0.000 0.406 351 R N 1.617 122.084 120.500 -0.055 0.000 2.720 351 R HA 0.386 4.720 4.340 -0.009 0.000 0.272 351 R C -0.084 176.192 176.300 -0.040 0.000 0.991 351 R CA -1.069 55.001 56.100 -0.050 0.000 1.010 351 R CB 1.165 31.441 30.300 -0.039 0.000 1.141 351 R HN 0.589 nan 8.270 nan 0.000 0.494 352 N N 1.194 119.870 118.700 -0.040 0.000 2.702 352 N HA -0.205 4.530 4.740 -0.009 0.000 0.261 352 N C -1.030 174.465 175.510 -0.025 0.000 0.965 352 N CA 1.009 54.040 53.050 -0.032 0.000 0.795 352 N CB -0.452 38.021 38.487 -0.024 0.000 0.909 352 N HN 0.246 nan 8.380 nan 0.000 0.546 353 K N 0.241 120.625 120.400 -0.027 0.000 2.123 353 K HA 0.580 4.894 4.320 -0.009 0.000 0.248 353 K C -0.101 176.493 176.600 -0.011 0.000 0.969 353 K CA -0.762 55.517 56.287 -0.013 0.000 0.882 353 K CB 1.882 34.377 32.500 -0.009 0.000 1.080 353 K HN -0.077 nan 8.250 nan 0.000 0.441 354 V N 3.090 123.003 119.914 -0.000 0.000 2.378 354 V HA 0.307 4.422 4.120 -0.009 0.000 0.288 354 V C -0.012 176.089 176.094 0.013 0.000 1.016 354 V CA -0.836 61.463 62.300 -0.002 0.000 0.840 354 V CB 1.061 32.883 31.823 -0.003 0.000 0.994 354 V HN 0.506 nan 8.190 nan 0.000 0.431 355 L N 5.466 126.695 121.223 0.010 0.000 2.302 355 L HA 0.412 4.747 4.340 -0.009 0.000 0.285 355 L C 0.706 177.585 176.870 0.015 0.000 1.090 355 L CA -0.228 54.628 54.840 0.027 0.000 0.866 355 L CB 0.259 42.338 42.059 0.034 0.000 1.244 355 L HN 0.598 nan 8.230 nan 0.000 0.435 356 K N 1.188 121.607 120.400 0.032 0.000 2.230 356 K HA 0.096 4.411 4.320 -0.009 0.000 0.253 356 K C 0.617 177.250 176.600 0.055 0.000 1.008 356 K CA -0.248 56.060 56.287 0.034 0.000 0.910 356 K CB 0.845 33.367 32.500 0.036 0.000 0.994 356 K HN 0.444 nan 8.250 nan 0.000 0.495 357 S N 0.278 116.012 115.700 0.058 0.000 2.593 357 S HA 0.052 4.516 4.470 -0.009 0.000 0.300 357 S C 1.009 175.667 174.600 0.097 0.000 1.267 357 S CA 1.030 59.276 58.200 0.077 0.000 1.065 357 S CB -0.532 62.715 63.200 0.079 0.000 0.807 357 S HN 0.820 nan 8.310 nan 0.000 0.499 358 G N 3.222 112.123 108.800 0.170 0.000 2.153 358 G HA2 -0.257 3.697 3.960 -0.009 0.000 0.252 358 G HA3 -0.257 3.697 3.960 -0.009 0.000 0.252 358 G C 0.139 175.179 174.900 0.234 0.000 0.994 358 G CA 0.507 45.719 45.100 0.187 0.000 0.698 358 G HN 1.666 nan 8.290 nan 0.000 0.521 359 S N -1.125 114.714 115.700 0.231 0.000 2.690 359 S HA 0.907 5.371 4.470 -0.009 0.000 0.291 359 S C 0.009 174.729 174.600 0.200 0.000 1.138 359 S CA -0.725 57.580 58.200 0.175 0.000 1.013 359 S CB 2.321 65.586 63.200 0.109 0.000 1.053 359 S HN 0.577 nan 8.310 nan 0.000 0.539 360 R N -0.258 120.336 120.500 0.157 0.000 2.771 360 R HA 0.651 4.985 4.340 -0.009 0.000 0.274 360 R C -1.872 174.556 176.300 0.213 0.000 0.987 360 R CA -0.922 55.282 56.100 0.174 0.000 0.908 360 R CB 1.753 32.080 30.300 0.046 0.000 1.213 360 R HN 0.582 nan 8.270 nan 0.000 0.468 361 L N 1.172 122.557 121.223 0.270 0.000 2.457 361 L HA 0.357 4.691 4.340 -0.009 0.000 0.266 361 L C -0.590 176.330 176.870 0.083 0.000 0.979 361 L CA -0.309 54.631 54.840 0.167 0.000 0.857 361 L CB 1.677 43.794 42.059 0.096 0.000 1.213 361 L HN 0.656 nan 8.230 nan 0.000 0.418 362 E N 3.254 123.395 120.200 -0.099 0.000 2.376 362 E HA 0.308 4.652 4.350 -0.009 0.000 0.266 362 E C -1.005 175.201 176.600 -0.656 0.000 1.009 362 E CA -0.394 55.566 56.400 -0.734 0.000 0.902 362 E CB 0.947 30.007 29.700 -1.067 0.000 0.972 362 E HN 0.593 nan 8.360 nan 0.000 0.439 363 V N 6.150 125.728 119.914 -0.559 0.000 2.432 363 V HA 0.141 4.255 4.120 -0.009 0.000 0.271 363 V C -0.482 175.376 176.094 -0.392 0.000 1.046 363 V CA -0.124 61.963 62.300 -0.356 0.000 0.945 363 V CB -0.099 31.598 31.823 -0.210 0.000 0.992 363 V HN 0.586 nan 8.190 nan 0.000 0.471 364 Y N 1.402 121.643 120.300 -0.098 0.000 2.496 364 Y HA 0.626 5.171 4.550 -0.010 0.000 0.331 364 Y C 1.233 177.091 175.900 -0.070 0.000 1.140 364 Y CA 0.047 58.105 58.100 -0.072 0.000 1.166 364 Y CB 1.796 40.229 38.460 -0.045 0.000 1.249 364 Y HN 0.788 nan 8.280 nan 0.000 0.479 365 G N 0.679 109.561 108.800 0.136 0.000 2.256 365 G HA2 -0.154 3.801 3.960 -0.009 0.000 0.272 365 G HA3 -0.154 3.801 3.960 -0.009 0.000 0.272 365 G C -1.127 173.777 174.900 0.007 0.000 1.076 365 G CA 0.071 45.202 45.100 0.051 0.000 0.882 365 G HN 0.536 nan 8.290 nan 0.000 0.497 366 V N 0.165 120.075 119.914 -0.008 0.000 2.851 366 V HA 0.649 4.764 4.120 -0.009 0.000 0.307 366 V C 0.652 176.731 176.094 -0.025 0.000 1.129 366 V CA -0.193 62.096 62.300 -0.020 0.000 0.932 366 V CB 2.265 34.064 31.823 -0.040 0.000 1.024 366 V HN 1.010 nan 8.190 nan 0.000 0.426 367 T N 2.049 116.598 114.554 -0.007 0.000 2.771 367 T HA 0.304 4.648 4.350 -0.009 0.000 0.277 367 T C 1.129 175.815 174.700 -0.024 0.000 0.919 367 T CA 0.315 62.409 62.100 -0.010 0.000 1.163 367 T CB 1.024 69.904 68.868 0.020 0.000 0.876 367 T HN 0.993 nan 8.240 nan 0.000 0.545 368 A N 3.272 126.057 122.820 -0.059 0.000 2.119 368 A HA 0.377 4.691 4.320 -0.009 0.000 0.217 368 A C 2.411 179.961 177.584 -0.057 0.000 1.153 368 A CA 0.828 52.829 52.037 -0.060 0.000 0.692 368 A CB -0.634 18.305 19.000 -0.101 0.000 0.799 368 A HN 1.111 nan 8.150 nan 0.000 0.458 369 A N -1.830 120.925 122.820 -0.107 0.000 2.238 369 A HA 0.273 4.587 4.320 -0.009 0.000 0.210 369 A C 1.041 178.400 177.584 -0.376 0.000 1.179 369 A CA 0.640 52.530 52.037 -0.244 0.000 0.827 369 A CB -0.043 18.774 19.000 -0.305 0.000 0.856 369 A HN 0.478 nan 8.150 nan 0.000 0.488 370 Q N -0.324 119.398 119.800 -0.129 0.000 3.429 370 Q HA 0.583 4.917 4.340 -0.009 0.000 0.237 370 Q C -1.074 175.013 176.000 0.146 0.000 0.932 370 Q CA -0.131 55.724 55.803 0.086 0.000 0.731 370 Q CB 0.857 29.683 28.738 0.147 0.000 1.383 370 Q HN 0.449 nan 8.270 nan 0.000 0.446 371 A N 1.439 124.363 122.820 0.174 0.000 2.594 371 A HA 0.702 5.016 4.320 -0.009 0.000 0.291 371 A C -1.828 175.854 177.584 0.163 0.000 1.105 371 A CA -0.660 51.450 52.037 0.122 0.000 0.694 371 A CB 1.982 21.032 19.000 0.082 0.000 1.291 371 A HN 0.444 nan 8.150 nan 0.000 0.410 372 D N 0.195 120.695 120.400 0.166 0.000 2.502 372 D HA 0.516 5.151 4.640 -0.009 0.000 0.249 372 D C -1.368 175.119 176.300 0.312 0.000 1.092 372 D CA 0.032 54.157 54.000 0.207 0.000 0.839 372 D CB 1.755 42.624 40.800 0.115 0.000 1.264 372 D HN 0.853 nan 8.370 nan 0.000 0.511 373 V N 2.651 122.711 119.914 0.243 0.000 2.760 373 V HA 0.642 4.757 4.120 -0.009 0.000 0.309 373 V C -1.533 174.681 176.094 0.200 0.000 1.077 373 V CA -0.473 61.938 62.300 0.185 0.000 0.910 373 V CB 1.973 33.851 31.823 0.092 0.000 1.008 373 V HN 0.570 nan 8.190 nan 0.000 0.424 374 E N 4.455 124.755 120.200 0.166 0.000 2.246 374 E HA 0.663 5.007 4.350 -0.009 0.000 0.266 374 E C -1.480 175.151 176.600 0.051 0.000 0.880 374 E CA -0.645 55.862 56.400 0.179 0.000 0.762 374 E CB 2.487 32.354 29.700 0.279 0.000 1.180 374 E HN 0.683 nan 8.360 nan 0.000 0.416 375 V N 2.918 122.844 119.914 0.020 0.000 2.715 375 V HA 0.486 4.600 4.120 -0.009 0.000 0.310 375 V C -0.321 175.668 176.094 -0.175 0.000 1.054 375 V CA -0.937 61.242 62.300 -0.202 0.000 0.928 375 V CB 1.700 33.229 31.823 -0.489 0.000 1.007 375 V HN 0.584 nan 8.190 nan 0.000 0.437 376 L N 3.854 124.926 121.223 -0.252 0.000 2.318 376 L HA 0.548 4.883 4.340 -0.009 0.000 0.277 376 L C -0.971 175.772 176.870 -0.212 0.000 1.008 376 L CA -0.073 54.691 54.840 -0.126 0.000 0.846 376 L CB 0.951 42.986 42.059 -0.041 0.000 1.220 376 L HN 0.512 nan 8.230 nan 0.000 0.423 377 F N 2.731 122.735 119.950 0.090 0.000 2.371 377 F HA 0.459 4.980 4.527 -0.010 0.000 0.329 377 F C 0.470 176.230 175.800 -0.067 0.000 1.107 377 F CA -0.379 57.619 58.000 -0.004 0.000 1.137 377 F CB 0.931 39.977 39.000 0.077 0.000 1.214 377 F HN 0.256 nan 8.300 nan 0.000 0.536 378 K N 2.082 122.507 120.400 0.041 0.000 2.507 378 K HA 0.567 4.881 4.320 -0.009 0.000 0.251 378 K C -1.465 175.053 176.600 -0.137 0.000 0.943 378 K CA -0.765 55.499 56.287 -0.038 0.000 0.794 378 K CB 1.859 34.338 32.500 -0.035 0.000 1.188 378 K HN 0.555 nan 8.250 nan 0.000 0.428 379 V N 1.775 121.597 119.914 -0.153 0.000 2.686 379 V HA 0.408 4.523 4.120 -0.009 0.000 0.295 379 V C 0.988 176.999 176.094 -0.137 0.000 1.057 379 V CA -0.367 61.820 62.300 -0.189 0.000 1.012 379 V CB 1.480 33.198 31.823 -0.175 0.000 1.006 379 V HN 0.878 nan 8.190 nan 0.000 0.477 380 R N 1.155 121.582 120.500 -0.121 0.000 2.066 380 R HA 0.153 4.487 4.340 -0.009 0.000 0.224 380 R C -0.076 176.176 176.300 -0.080 0.000 1.122 380 R CA 1.282 57.332 56.100 -0.084 0.000 0.974 380 R CB 0.138 30.400 30.300 -0.064 0.000 0.871 380 R HN 0.925 nan 8.270 nan 0.000 0.435 381 D N -0.529 119.819 120.400 -0.087 0.000 2.375 381 D HA 0.127 4.761 4.640 -0.009 0.000 0.241 381 D C 0.352 176.598 176.300 -0.090 0.000 1.361 381 D CA -0.184 53.773 54.000 -0.072 0.000 0.995 381 D CB 1.041 41.820 40.800 -0.034 0.000 1.312 381 D HN -0.111 nan 8.370 nan 0.000 0.576 382 L N 2.141 123.268 121.223 -0.160 0.000 2.265 382 L HA 0.001 4.336 4.340 -0.009 0.000 0.215 382 L C 2.033 178.902 176.870 -0.002 0.000 1.117 382 L CA 0.812 55.514 54.840 -0.230 0.000 0.782 382 L CB 0.003 41.707 42.059 -0.590 0.000 0.914 382 L HN 0.519 nan 8.230 nan 0.000 0.441 383 E N 0.061 120.286 120.200 0.042 0.000 2.478 383 E HA -0.150 4.194 4.350 -0.009 0.000 0.198 383 E C 1.330 177.973 176.600 0.072 0.000 1.046 383 E CA 0.361 56.816 56.400 0.093 0.000 0.870 383 E CB 0.325 30.065 29.700 0.067 0.000 0.818 383 E HN 0.239 nan 8.360 nan 0.000 0.527 384 K N -0.014 120.414 120.400 0.046 0.000 2.487 384 K HA 0.125 4.440 4.320 -0.009 0.000 0.192 384 K C 0.232 176.877 176.600 0.075 0.000 1.027 384 K CA 0.088 56.403 56.287 0.046 0.000 1.054 384 K CB 0.197 32.714 32.500 0.028 0.000 0.824 384 K HN 0.022 nan 8.250 nan 0.000 0.510 385 A N 2.429 125.310 122.820 0.101 0.000 2.450 385 A HA 0.082 4.396 4.320 -0.009 0.000 0.255 385 A C -0.236 177.449 177.584 0.168 0.000 1.096 385 A CA -0.366 51.749 52.037 0.130 0.000 0.778 385 A CB 0.127 19.247 19.000 0.200 0.000 1.031 385 A HN 0.157 nan 8.150 nan 0.000 0.494 386 D N 1.766 122.282 120.400 0.193 0.000 2.414 386 D HA 0.188 4.822 4.640 -0.009 0.000 0.242 386 D C 0.132 176.626 176.300 0.324 0.000 1.129 386 D CA 0.066 54.218 54.000 0.255 0.000 0.885 386 D CB 0.810 41.817 40.800 0.344 0.000 1.198 386 D HN 0.193 nan 8.370 nan 0.000 0.437 387 V N 2.926 122.951 119.914 0.184 0.000 2.572 387 V HA 0.012 4.126 4.120 -0.009 0.000 0.291 387 V C 1.067 177.193 176.094 0.053 0.000 1.039 387 V CA -0.496 61.870 62.300 0.110 0.000 1.055 387 V CB 0.862 32.693 31.823 0.013 0.000 0.969 387 V HN 0.455 nan 8.190 nan 0.000 0.482 388 I N 4.290 124.856 120.570 -0.008 0.000 2.710 388 I HA 0.058 4.222 4.170 -0.009 0.000 0.286 388 I C 0.931 176.823 176.117 -0.375 0.000 1.181 388 I CA -0.055 61.072 61.300 -0.288 0.000 1.430 388 I CB 0.353 38.186 38.000 -0.279 0.000 1.367 388 I HN 0.641 nan 8.210 nan 0.000 0.577 389 E N 9.544 129.299 120.200 -0.741 0.000 2.452 389 E HA -0.003 4.341 4.350 -0.009 0.000 0.261 389 E C -1.574 174.739 176.600 -0.479 0.000 0.987 389 E CA -1.338 54.568 56.400 -0.823 0.000 0.926 389 E CB 0.131 28.834 29.700 -1.662 0.000 0.934 389 E HN 0.462 nan 8.360 nan 0.000 0.452 390 P HA -0.177 nan 4.420 nan 0.000 0.218 390 P C 1.136 178.381 177.300 -0.091 0.000 1.148 390 P CA 1.380 64.385 63.100 -0.158 0.000 0.822 390 P CB 0.266 31.892 31.700 -0.122 0.000 0.784 391 S N -3.129 112.511 115.700 -0.099 0.000 2.527 391 S HA -0.037 4.428 4.470 -0.009 0.000 0.222 391 S C 0.599 175.337 174.600 0.229 0.000 0.985 391 S CA -0.396 57.834 58.200 0.050 0.000 0.921 391 S CB -0.880 62.363 63.200 0.071 0.000 0.772 391 S HN -0.007 nan 8.310 nan 0.000 0.529 392 W N 4.088 125.368 121.300 -0.034 0.000 2.351 392 W HA 0.407 5.062 4.660 -0.009 0.000 0.421 392 W C 1.131 177.678 176.519 0.046 0.000 1.000 392 W CA -0.412 56.922 57.345 -0.019 0.000 1.610 392 W CB -0.897 28.507 29.460 -0.093 0.000 1.700 392 W HN 0.467 nan 8.180 nan 0.000 0.351 393 T N -3.328 111.390 114.554 0.274 0.000 2.959 393 T HA 0.006 4.350 4.350 -0.009 0.000 0.254 393 T C 0.111 174.983 174.700 0.286 0.000 1.003 393 T CA -0.054 62.199 62.100 0.256 0.000 0.950 393 T CB 0.412 69.372 68.868 0.154 0.000 1.090 393 T HN 0.072 nan 8.240 nan 0.000 0.503 394 D N 3.382 123.875 120.400 0.156 0.000 2.396 394 D HA 0.269 4.903 4.640 -0.009 0.000 0.225 394 D C -1.528 174.708 176.300 -0.107 0.000 1.121 394 D CA -2.309 51.720 54.000 0.048 0.000 0.853 394 D CB 2.112 42.931 40.800 0.031 0.000 1.043 394 D HN 0.020 nan 8.370 nan 0.000 0.500 395 P HA -0.190 nan 4.420 nan 0.000 0.218 395 P C 1.335 178.428 177.300 -0.346 0.000 1.148 395 P CA 0.969 63.693 63.100 -0.626 0.000 0.822 395 P CB 0.439 31.434 31.700 -1.175 0.000 0.784 396 Q N -0.083 119.586 119.800 -0.219 0.000 2.084 396 Q HA -0.119 4.215 4.340 -0.009 0.000 0.202 396 Q C 2.298 178.217 176.000 -0.135 0.000 0.978 396 Q CA 1.244 56.968 55.803 -0.132 0.000 0.844 396 Q CB -0.562 28.153 28.738 -0.037 0.000 0.898 396 Q HN 0.193 nan 8.270 nan 0.000 0.426 397 L N 0.290 121.435 121.223 -0.130 0.000 2.141 397 L HA -0.179 4.156 4.340 -0.009 0.000 0.209 397 L C 2.308 179.031 176.870 -0.245 0.000 1.094 397 L CA 0.726 55.479 54.840 -0.144 0.000 0.763 397 L CB -0.326 41.671 42.059 -0.104 0.000 0.908 397 L HN 0.318 nan 8.230 nan 0.000 0.437 398 I N -0.825 119.554 120.570 -0.319 0.000 2.142 398 I HA -0.334 3.830 4.170 -0.009 0.000 0.240 398 I C 2.657 178.604 176.117 -0.283 0.000 1.078 398 I CA 1.281 62.303 61.300 -0.464 0.000 1.343 398 I CB -0.631 37.125 38.000 -0.407 0.000 1.046 398 I HN 0.335 nan 8.210 nan 0.000 0.405 399 c N 0.210 118.697 118.600 -0.187 0.000 2.413 399 c HA -0.149 4.415 4.570 -0.009 0.000 0.277 399 c C 3.210 177.245 174.090 -0.092 0.000 1.265 399 c CA 1.142 57.404 56.329 -0.111 0.000 1.752 399 c CB -1.150 41.258 42.510 -0.170 0.000 1.998 399 c HN 0.501 nan 8.230 nan 0.000 0.489 400 S N 0.313 115.937 115.700 -0.126 0.000 2.359 400 S HA -0.180 4.285 4.470 -0.009 0.000 0.224 400 S C 2.098 176.646 174.600 -0.087 0.000 1.035 400 S CA 1.364 59.502 58.200 -0.104 0.000 1.018 400 S CB -0.218 62.921 63.200 -0.102 0.000 0.876 400 S HN 0.518 nan 8.310 nan 0.000 0.448 401 K N 0.709 121.035 120.400 -0.123 0.000 2.116 401 K HA 0.209 4.523 4.320 -0.009 0.000 0.203 401 K C 0.433 176.997 176.600 -0.061 0.000 1.052 401 K CA 0.715 56.943 56.287 -0.098 0.000 0.952 401 K CB -0.122 32.295 32.500 -0.139 0.000 0.729 401 K HN 0.372 nan 8.250 nan 0.000 0.446 402 M N 2.935 122.492 119.600 -0.072 0.000 2.495 402 M HA 0.095 4.569 4.480 -0.009 0.000 0.346 402 M C -0.403 175.932 176.300 0.058 0.000 1.251 402 M CA -0.705 54.597 55.300 0.002 0.000 1.249 402 M CB 0.569 33.179 32.600 0.016 0.000 1.229 402 M HN 0.005 nan 8.290 nan 0.000 0.450 403 N N 0.884 119.613 118.700 0.049 0.000 2.235 403 N HA 0.040 4.775 4.740 -0.009 0.000 0.231 403 N C 1.055 176.606 175.510 0.069 0.000 1.330 403 N CA -0.500 52.600 53.050 0.084 0.000 0.898 403 N CB 0.218 38.736 38.487 0.050 0.000 1.151 403 N HN 0.328 nan 8.380 nan 0.000 0.472 404 V N -4.066 115.895 119.914 0.078 0.000 2.688 404 V HA -0.190 3.924 4.120 -0.009 0.000 0.256 404 V C 2.078 178.221 176.094 0.083 0.000 1.084 404 V CA 1.866 64.169 62.300 0.006 0.000 1.103 404 V CB -1.249 30.600 31.823 0.043 0.000 0.688 404 V HN 0.786 nan 8.190 nan 0.000 0.480 405 S N -0.278 115.443 115.700 0.035 0.000 2.515 405 S HA 0.065 4.529 4.470 -0.009 0.000 0.231 405 S C 0.808 175.384 174.600 -0.041 0.000 0.987 405 S CA 0.320 58.500 58.200 -0.034 0.000 0.936 405 S CB -0.489 62.688 63.200 -0.038 0.000 0.766 405 S HN 0.467 nan 8.310 nan 0.000 0.528 406 V N 3.590 123.497 119.914 -0.012 0.000 2.368 406 V HA 0.288 4.403 4.120 -0.009 0.000 0.266 406 V C 0.147 176.220 176.094 -0.035 0.000 1.045 406 V CA -0.619 61.679 62.300 -0.004 0.000 0.899 406 V CB 0.962 32.811 31.823 0.043 0.000 1.006 406 V HN 0.290 nan 8.190 nan 0.000 0.470 407 K N 3.097 123.430 120.400 -0.111 0.000 2.350 407 K HA 0.411 4.725 4.320 -0.009 0.000 0.279 407 K C 0.050 176.580 176.600 -0.115 0.000 1.027 407 K CA -0.057 56.073 56.287 -0.261 0.000 0.969 407 K CB 0.940 32.999 32.500 -0.735 0.000 0.954 407 K HN 0.629 nan 8.250 nan 0.000 0.474 408 S N 0.394 116.054 115.700 -0.067 0.000 2.648 408 S HA 0.303 4.768 4.470 -0.009 0.000 0.305 408 S C 1.375 176.082 174.600 0.178 0.000 1.094 408 S CA -0.572 57.686 58.200 0.096 0.000 0.983 408 S CB 1.778 64.994 63.200 0.027 0.000 1.101 408 S HN 0.828 nan 8.310 nan 0.000 0.514 409 G N 0.945 109.909 108.800 0.273 0.000 2.553 409 G HA2 -0.133 3.821 3.960 -0.009 0.000 0.218 409 G HA3 -0.133 3.821 3.960 -0.009 0.000 0.218 409 G C 0.024 175.013 174.900 0.150 0.000 1.195 409 G CA 1.087 46.341 45.100 0.256 0.000 0.779 409 G HN 0.410 nan 8.290 nan 0.000 0.577 410 L N 1.115 122.376 121.223 0.063 0.000 2.337 410 L HA 0.680 5.014 4.340 -0.009 0.000 0.269 410 L C 0.574 177.472 176.870 0.046 0.000 1.018 410 L CA 0.279 55.163 54.840 0.074 0.000 0.876 410 L CB 0.243 42.331 42.059 0.049 0.000 1.236 410 L HN 0.712 nan 8.230 nan 0.000 0.436 411 G N 4.540 113.405 108.800 0.107 0.000 2.497 411 G HA2 -0.017 3.937 3.960 -0.009 0.000 0.686 411 G HA3 -0.017 3.937 3.960 -0.009 0.000 0.686 411 G C -3.235 171.592 174.900 -0.121 0.000 1.288 411 G CA -1.127 43.944 45.100 -0.047 0.000 0.899 411 G HN 0.312 nan 8.290 nan 0.000 0.608 412 P HA 0.568 nan 4.420 nan 0.000 0.275 412 P C -0.729 176.259 177.300 -0.518 0.000 1.227 412 P CA 0.008 62.787 63.100 -0.535 0.000 0.781 412 P CB 0.466 31.569 31.700 -0.996 0.000 0.906 413 F N 0.119 119.687 119.950 -0.636 0.000 2.591 413 F HA 0.866 5.388 4.527 -0.009 0.000 0.309 413 F C 0.116 175.277 175.800 -1.065 0.000 1.098 413 F CA -0.655 56.739 58.000 -1.010 0.000 0.937 413 F CB 1.590 40.138 39.000 -0.755 0.000 1.250 413 F HN 0.653 nan 8.300 nan 0.000 0.447 414 G N 2.128 110.317 108.800 -1.019 0.000 2.609 414 G HA2 0.372 4.326 3.960 -0.009 0.000 0.082 414 G HA3 0.372 4.326 3.960 -0.009 0.000 0.082 414 G C -2.197 172.765 174.900 0.103 0.000 1.075 414 G CA -0.752 44.156 45.100 -0.319 0.000 1.172 414 G HN 0.762 nan 8.290 nan 0.000 0.532 415 L N 1.503 122.954 121.223 0.380 0.000 2.385 415 L HA 0.591 4.926 4.340 -0.009 0.000 0.273 415 L C -0.283 176.876 176.870 0.482 0.000 0.990 415 L CA -0.892 54.227 54.840 0.463 0.000 0.821 415 L CB 2.085 44.316 42.059 0.286 0.000 1.279 415 L HN 0.342 nan 8.230 nan 0.000 0.412 416 M N 4.765 124.583 119.600 0.363 0.000 2.146 416 M HA 0.382 4.856 4.480 -0.009 0.000 0.352 416 M C -0.123 176.327 176.300 0.250 0.000 1.343 416 M CA -0.385 55.011 55.300 0.160 0.000 1.115 416 M CB 0.915 33.512 32.600 -0.005 0.000 1.657 416 M HN 0.431 nan 8.290 nan 0.000 0.471 417 V N 1.729 121.765 119.914 0.203 0.000 3.103 417 V HA 0.598 4.712 4.120 -0.009 0.000 0.318 417 V C 0.552 176.739 176.094 0.155 0.000 1.114 417 V CA -1.265 61.133 62.300 0.163 0.000 1.020 417 V CB 1.786 33.680 31.823 0.119 0.000 1.085 417 V HN 0.885 nan 8.190 nan 0.000 0.446 418 L N 0.136 121.430 121.223 0.119 0.000 3.965 418 L HA -0.171 4.163 4.340 -0.009 0.000 0.476 418 L C 0.528 177.495 176.870 0.163 0.000 1.201 418 L CA 0.855 55.760 54.840 0.109 0.000 0.710 418 L CB -1.592 40.507 42.059 0.067 0.000 1.509 418 L HN 1.141 nan 8.230 nan 0.000 0.815 419 A N 0.306 123.267 122.820 0.234 0.000 2.325 419 A HA 0.774 5.088 4.320 -0.009 0.000 0.333 419 A C 0.510 178.287 177.584 0.322 0.000 1.155 419 A CA 0.166 52.386 52.037 0.306 0.000 0.814 419 A CB 1.279 20.524 19.000 0.409 0.000 1.206 419 A HN 0.453 nan 8.150 nan 0.000 0.482 420 S N 1.776 117.633 115.700 0.263 0.000 2.601 420 S HA 0.243 4.707 4.470 -0.009 0.000 0.271 420 S C 0.860 175.585 174.600 0.208 0.000 1.305 420 S CA -0.578 57.764 58.200 0.237 0.000 1.022 420 S CB 0.912 64.204 63.200 0.154 0.000 0.940 420 S HN 0.647 nan 8.310 nan 0.000 0.525 421 K N 1.935 122.429 120.400 0.156 0.000 2.071 421 K HA -0.197 4.117 4.320 -0.009 0.000 0.217 421 K C 0.640 177.227 176.600 -0.022 0.000 1.054 421 K CA 1.769 58.011 56.287 -0.076 0.000 0.937 421 K CB -0.651 31.849 32.500 0.000 0.000 0.719 421 K HN 0.667 nan 8.250 nan 0.000 0.454 422 N N 0.532 119.244 118.700 0.019 0.000 2.279 422 N HA 0.095 4.830 4.740 -0.009 0.000 0.226 422 N C -0.142 175.366 175.510 -0.004 0.000 1.126 422 N CA -0.021 53.026 53.050 -0.004 0.000 0.846 422 N CB 0.472 38.964 38.487 0.009 0.000 1.050 422 N HN 0.050 nan 8.380 nan 0.000 0.502 423 L N 0.300 121.537 121.223 0.023 0.000 3.843 423 L HA -0.260 4.075 4.340 -0.009 0.000 0.411 423 L C 1.110 178.101 176.870 0.202 0.000 1.205 423 L CA 0.707 55.608 54.840 0.101 0.000 0.945 423 L CB -1.571 40.416 42.059 -0.121 0.000 1.929 423 L HN 0.119 nan 8.230 nan 0.000 0.934 424 E N -0.217 120.049 120.200 0.111 0.000 2.072 424 E HA -0.032 4.313 4.350 -0.009 0.000 0.191 424 E C 0.536 177.139 176.600 0.005 0.000 0.985 424 E CA 1.404 57.839 56.400 0.058 0.000 0.801 424 E CB 0.088 29.811 29.700 0.039 0.000 0.750 424 E HN 0.608 nan 8.360 nan 0.000 0.452 425 E N -0.466 119.762 120.200 0.045 0.000 2.187 425 E HA 0.421 4.765 4.350 -0.009 0.000 0.268 425 E C -1.296 175.353 176.600 0.081 0.000 0.896 425 E CA -0.784 55.598 56.400 -0.031 0.000 0.766 425 E CB 1.525 31.241 29.700 0.027 0.000 1.142 425 E HN 0.062 nan 8.360 nan 0.000 0.408 426 Y N -1.873 118.423 120.300 -0.008 0.000 2.604 426 Y HA 0.439 4.984 4.550 -0.009 0.000 0.331 426 Y C -1.107 174.776 175.900 -0.028 0.000 1.158 426 Y CA -1.153 56.941 58.100 -0.011 0.000 1.056 426 Y CB 1.033 39.456 38.460 -0.062 0.000 1.330 426 Y HN 0.149 nan 8.280 nan 0.000 0.457 427 T N 2.669 117.326 114.554 0.172 0.000 2.770 427 T HA 0.542 4.887 4.350 -0.009 0.000 0.283 427 T C -0.764 174.036 174.700 0.167 0.000 0.988 427 T CA -0.804 61.354 62.100 0.098 0.000 0.957 427 T CB 0.875 69.765 68.868 0.036 0.000 0.930 427 T HN 0.655 nan 8.240 nan 0.000 0.443 428 S N 2.552 118.357 115.700 0.175 0.000 2.457 428 S HA 0.518 4.982 4.470 -0.009 0.000 0.289 428 S C -0.110 174.595 174.600 0.175 0.000 1.163 428 S CA -0.826 57.510 58.200 0.226 0.000 1.078 428 S CB 1.085 64.470 63.200 0.307 0.000 0.987 428 S HN 0.489 nan 8.310 nan 0.000 0.482 429 V N 5.208 125.235 119.914 0.189 0.000 2.326 429 V HA 0.525 4.639 4.120 -0.009 0.000 0.281 429 V C -0.829 175.230 176.094 -0.058 0.000 1.015 429 V CA -0.656 61.630 62.300 -0.023 0.000 0.823 429 V CB -0.294 31.512 31.823 -0.028 0.000 1.009 429 V HN 0.907 nan 8.190 nan 0.000 0.436 430 Y N 3.027 123.163 120.300 -0.273 0.000 2.677 430 Y HA 0.900 5.445 4.550 -0.009 0.000 0.334 430 Y C -1.651 173.812 175.900 -0.729 0.000 1.154 430 Y CA -2.318 55.480 58.100 -0.503 0.000 1.070 430 Y CB 1.318 39.623 38.460 -0.258 0.000 1.294 430 Y HN 0.284 nan 8.280 nan 0.000 0.475 431 F N 0.883 120.627 119.950 -0.344 0.000 2.538 431 F HA 0.794 5.315 4.527 -0.009 0.000 0.325 431 F C -0.053 175.473 175.800 -0.456 0.000 1.066 431 F CA -1.129 56.579 58.000 -0.486 0.000 0.946 431 F CB 2.205 40.701 39.000 -0.841 0.000 1.199 431 F HN 0.389 nan 8.300 nan 0.000 0.473 432 R N 2.260 122.731 120.500 -0.047 0.000 2.750 432 R HA 0.687 5.022 4.340 -0.009 0.000 0.281 432 R C -1.476 174.655 176.300 -0.282 0.000 0.972 432 R CA -0.947 55.019 56.100 -0.224 0.000 0.912 432 R CB 2.663 32.849 30.300 -0.189 0.000 1.187 432 R HN 0.426 nan 8.270 nan 0.000 0.464 433 I N 2.615 122.959 120.570 -0.377 0.000 2.433 433 I HA 0.444 4.609 4.170 -0.009 0.000 0.292 433 I C -0.623 175.257 176.117 -0.395 0.000 1.001 433 I CA -0.526 60.632 61.300 -0.236 0.000 1.119 433 I CB 1.182 39.135 38.000 -0.077 0.000 1.289 433 I HN 0.436 nan 8.210 nan 0.000 0.438 434 F N 3.437 123.523 119.950 0.227 0.000 2.598 434 F HA 0.485 5.006 4.527 -0.010 0.000 0.327 434 F C 0.421 176.368 175.800 0.244 0.000 1.057 434 F CA -0.950 57.181 58.000 0.218 0.000 0.957 434 F CB 1.540 40.655 39.000 0.193 0.000 1.278 434 F HN 0.270 nan 8.300 nan 0.000 0.484 435 K N 1.371 121.966 120.400 0.325 0.000 2.201 435 K HA 0.726 5.040 4.320 -0.009 0.000 0.278 435 K C -0.500 176.083 176.600 -0.028 0.000 1.027 435 K CA -0.505 55.775 56.287 -0.012 0.000 0.909 435 K CB 1.153 33.620 32.500 -0.055 0.000 1.062 435 K HN 0.795 nan 8.250 nan 0.000 0.465 436 A N 3.598 126.332 122.820 -0.143 0.000 2.386 436 A HA 0.170 4.485 4.320 -0.009 0.000 0.248 436 A C 0.446 177.968 177.584 -0.103 0.000 1.082 436 A CA -0.292 51.684 52.037 -0.101 0.000 0.789 436 A CB 0.406 19.337 19.000 -0.115 0.000 1.025 436 A HN 0.788 nan 8.150 nan 0.000 0.490 437 R N 0.740 121.187 120.500 -0.089 0.000 3.385 437 R HA 0.010 4.344 4.340 -0.009 0.000 0.236 437 R C 0.144 176.400 176.300 -0.073 0.000 1.663 437 R CA 0.356 56.407 56.100 -0.082 0.000 1.444 437 R CB -0.934 29.316 30.300 -0.084 0.000 1.218 437 R HN 0.894 nan 8.270 nan 0.000 0.575 438 Q N -2.140 117.613 119.800 -0.078 0.000 2.544 438 Q HA 0.315 4.650 4.340 -0.009 0.000 0.291 438 Q C -0.128 175.835 176.000 -0.062 0.000 1.068 438 Q CA -0.951 54.813 55.803 -0.064 0.000 0.785 438 Q CB 0.735 29.436 28.738 -0.062 0.000 1.481 438 Q HN -0.232 nan 8.270 nan 0.000 0.430 439 N N 0.624 119.296 118.700 -0.047 0.000 2.223 439 N HA -0.093 4.641 4.740 -0.009 0.000 0.185 439 N C 0.687 176.173 175.510 -0.039 0.000 1.016 439 N CA 1.359 54.386 53.050 -0.039 0.000 0.863 439 N CB -0.257 38.214 38.487 -0.028 0.000 0.983 439 N HN 0.720 nan 8.380 nan 0.000 0.429 440 S N 1.764 117.438 115.700 -0.042 0.000 2.596 440 S HA 0.040 4.504 4.470 -0.009 0.000 0.260 440 S C 0.724 175.284 174.600 -0.066 0.000 1.336 440 S CA -0.660 57.517 58.200 -0.039 0.000 0.993 440 S CB 0.497 63.678 63.200 -0.031 0.000 0.923 440 S HN 0.398 nan 8.310 nan 0.000 0.567 441 N N -0.051 118.621 118.700 -0.046 0.000 2.597 441 N HA 0.058 4.792 4.740 -0.009 0.000 0.269 441 N C -0.388 175.024 175.510 -0.163 0.000 1.204 441 N CA -0.463 52.533 53.050 -0.090 0.000 0.947 441 N CB -0.321 38.192 38.487 0.043 0.000 1.258 441 N HN 0.611 nan 8.380 nan 0.000 0.508 442 K N 0.614 120.916 120.400 -0.164 0.000 2.355 442 K HA 0.136 4.450 4.320 -0.009 0.000 0.270 442 K C -1.202 175.220 176.600 -0.297 0.000 1.003 442 K CA -0.034 56.190 56.287 -0.105 0.000 0.957 442 K CB 0.286 32.750 32.500 -0.060 0.000 0.939 442 K HN 0.134 nan 8.250 nan 0.000 0.482 443 Y N 1.192 121.524 120.300 0.052 0.000 2.587 443 Y HA 0.528 5.072 4.550 -0.010 0.000 0.337 443 Y C -0.603 175.329 175.900 0.053 0.000 1.065 443 Y CA -1.001 57.134 58.100 0.058 0.000 1.126 443 Y CB 2.094 40.583 38.460 0.048 0.000 1.279 443 Y HN 0.166 nan 8.280 nan 0.000 0.489 444 V N 2.856 122.936 119.914 0.277 0.000 2.407 444 V HA 0.375 4.490 4.120 -0.009 0.000 0.291 444 V C -0.863 175.415 176.094 0.306 0.000 1.018 444 V CA -0.905 61.526 62.300 0.218 0.000 0.842 444 V CB 1.338 33.275 31.823 0.189 0.000 0.996 444 V HN 0.482 nan 8.190 nan 0.000 0.426 445 V N 6.276 126.334 119.914 0.240 0.000 2.370 445 V HA 0.431 4.546 4.120 -0.009 0.000 0.279 445 V C -0.216 176.085 176.094 0.344 0.000 1.029 445 V CA -0.477 61.942 62.300 0.198 0.000 0.870 445 V CB 1.533 33.372 31.823 0.027 0.000 0.984 445 V HN 0.650 nan 8.190 nan 0.000 0.451 446 L N 6.238 127.662 121.223 0.335 0.000 2.295 446 L HA 0.667 5.001 4.340 -0.009 0.000 0.285 446 L C -0.380 176.620 176.870 0.215 0.000 1.035 446 L CA -0.080 54.934 54.840 0.290 0.000 0.806 446 L CB 1.370 43.640 42.059 0.351 0.000 1.214 446 L HN 0.767 nan 8.230 nan 0.000 0.426 447 M N 5.431 125.061 119.600 0.050 0.000 2.253 447 M HA 0.525 5.000 4.480 -0.009 0.000 0.314 447 M C -1.753 174.361 176.300 -0.311 0.000 1.019 447 M CA -0.239 54.983 55.300 -0.129 0.000 0.932 447 M CB 1.176 33.759 32.600 -0.029 0.000 1.606 447 M HN 0.700 nan 8.290 nan 0.000 0.430 448 c N 1.792 120.065 118.600 -0.545 0.000 2.561 448 c HA 0.698 5.263 4.570 -0.009 0.000 0.319 448 c C -0.048 173.733 174.090 -0.514 0.000 1.198 448 c CA -0.703 55.276 56.329 -0.583 0.000 1.665 448 c CB 1.901 43.854 42.510 -0.927 0.000 2.258 448 c HN 0.847 nan 8.230 nan 0.000 0.493 449 S N 1.518 117.043 115.700 -0.292 0.000 2.594 449 S HA 0.316 4.780 4.470 -0.009 0.000 0.322 449 S C -1.110 173.376 174.600 -0.189 0.000 1.085 449 S CA -0.169 57.922 58.200 -0.182 0.000 1.116 449 S CB 0.039 63.224 63.200 -0.025 0.000 0.979 449 S HN 0.811 nan 8.310 nan 0.000 0.465 450 D N 3.284 123.594 120.400 -0.149 0.000 2.329 450 D HA 0.245 4.880 4.640 -0.009 0.000 0.232 450 D C 0.219 176.463 176.300 -0.092 0.000 1.088 450 D CA -0.311 53.629 54.000 -0.101 0.000 0.835 450 D CB 1.071 41.896 40.800 0.041 0.000 1.078 450 D HN 0.576 nan 8.370 nan 0.000 0.495 451 Q N 2.079 121.782 119.800 -0.161 0.000 2.141 451 Q HA 0.078 4.412 4.340 -0.009 0.000 0.248 451 Q C 0.916 176.818 176.000 -0.163 0.000 0.834 451 Q CA -0.213 55.497 55.803 -0.155 0.000 1.096 451 Q CB -0.021 28.622 28.738 -0.157 0.000 1.189 451 Q HN 0.358 nan 8.270 nan 0.000 0.471 452 S N 1.158 116.764 115.700 -0.157 0.000 2.402 452 S HA -0.037 4.427 4.470 -0.009 0.000 0.229 452 S C 1.531 176.023 174.600 -0.180 0.000 1.021 452 S CA 0.484 58.596 58.200 -0.146 0.000 0.974 452 S CB -0.126 63.005 63.200 -0.115 0.000 0.800 452 S HN 0.377 nan 8.310 nan 0.000 0.484 453 R N 1.201 121.536 120.500 -0.274 0.000 2.586 453 R HA 0.280 4.614 4.340 -0.009 0.000 0.336 453 R C 1.486 177.543 176.300 -0.404 0.000 1.060 453 R CA 0.579 56.440 56.100 -0.400 0.000 1.079 453 R CB 0.253 30.154 30.300 -0.665 0.000 1.317 453 R HN 0.655 nan 8.270 nan 0.000 0.568 454 S N -0.665 114.888 115.700 -0.244 0.000 2.461 454 S HA 0.001 4.466 4.470 -0.009 0.000 0.228 454 S C 0.889 175.440 174.600 -0.082 0.000 1.005 454 S CA 0.131 58.240 58.200 -0.152 0.000 0.942 454 S CB 0.303 63.437 63.200 -0.110 0.000 0.776 454 S HN 0.094 nan 8.310 nan 0.000 0.514 455 S N -0.844 114.811 115.700 -0.076 0.000 2.543 455 S HA 0.540 5.004 4.470 -0.009 0.000 0.271 455 S C 0.187 174.771 174.600 -0.027 0.000 1.148 455 S CA -0.833 57.358 58.200 -0.016 0.000 0.914 455 S CB 1.042 64.254 63.200 0.020 0.000 1.096 455 S HN 0.277 nan 8.310 nan 0.000 0.471 456 L N 2.675 123.897 121.223 -0.002 0.000 2.201 456 L HA 0.133 4.468 4.340 -0.009 0.000 0.212 456 L C 1.466 178.333 176.870 -0.005 0.000 1.105 456 L CA 0.874 55.710 54.840 -0.007 0.000 0.775 456 L CB -0.140 41.925 42.059 0.010 0.000 0.913 456 L HN 0.583 nan 8.230 nan 0.000 0.440 457 K N 1.161 121.565 120.400 0.008 0.000 2.383 457 K HA -0.006 4.308 4.320 -0.009 0.000 0.286 457 K C 0.732 177.319 176.600 -0.023 0.000 1.051 457 K CA -0.038 56.247 56.287 -0.003 0.000 0.974 457 K CB 0.752 33.255 32.500 0.004 0.000 0.968 457 K HN 0.169 nan 8.250 nan 0.000 0.475 458 E N 2.873 123.056 120.200 -0.028 0.000 2.208 458 E HA -0.173 4.171 4.350 -0.009 0.000 0.193 458 E C 0.648 177.223 176.600 -0.042 0.000 0.988 458 E CA 1.044 57.422 56.400 -0.036 0.000 0.828 458 E CB 0.087 29.767 29.700 -0.033 0.000 0.763 458 E HN 0.709 nan 8.360 nan 0.000 0.478 459 D N 1.163 121.535 120.400 -0.047 0.000 2.203 459 D HA -0.112 4.523 4.640 -0.009 0.000 0.199 459 D C 0.483 176.740 176.300 -0.072 0.000 0.997 459 D CA 0.784 54.747 54.000 -0.060 0.000 0.863 459 D CB -0.024 40.733 40.800 -0.072 0.000 0.928 459 D HN 0.086 nan 8.370 nan 0.000 0.458 460 N N 1.475 120.134 118.700 -0.069 0.000 2.416 460 N HA -0.044 4.690 4.740 -0.009 0.000 0.246 460 N C -0.303 175.186 175.510 -0.035 0.000 1.260 460 N CA 0.125 53.144 53.050 -0.053 0.000 0.897 460 N CB 0.476 38.969 38.487 0.010 0.000 1.110 460 N HN 0.077 nan 8.380 nan 0.000 0.439 461 D N 1.178 121.568 120.400 -0.017 0.000 2.342 461 D HA 0.014 4.649 4.640 -0.009 0.000 0.260 461 D C 0.004 176.277 176.300 -0.044 0.000 1.278 461 D CA 0.267 54.254 54.000 -0.023 0.000 0.910 461 D CB 0.235 41.035 40.800 0.001 0.000 1.079 461 D HN 0.308 nan 8.370 nan 0.000 0.496 462 K N 2.034 122.387 120.400 -0.078 0.000 2.446 462 K HA 0.091 4.405 4.320 -0.009 0.000 0.203 462 K C 0.233 176.718 176.600 -0.192 0.000 1.027 462 K CA -0.200 56.013 56.287 -0.122 0.000 1.166 462 K CB 0.349 32.786 32.500 -0.104 0.000 0.869 462 K HN 0.328 nan 8.250 nan 0.000 0.504 463 T N 2.128 116.556 114.554 -0.210 0.000 2.905 463 T HA -0.034 4.311 4.350 -0.009 0.000 0.299 463 T C 0.391 174.716 174.700 -0.625 0.000 1.024 463 T CA 0.634 62.554 62.100 -0.301 0.000 1.151 463 T CB 0.636 69.397 68.868 -0.177 0.000 0.987 463 T HN 0.056 nan 8.240 nan 0.000 0.535 464 T N 3.834 118.103 114.554 -0.476 0.000 2.889 464 T HA 0.427 4.772 4.350 -0.009 0.000 0.291 464 T C -0.581 173.820 174.700 -0.498 0.000 0.995 464 T CA -0.296 61.501 62.100 -0.505 0.000 1.092 464 T CB 0.192 68.906 68.868 -0.257 0.000 0.954 464 T HN 0.361 nan 8.240 nan 0.000 0.506 465 Y N 0.410 120.639 120.300 -0.119 0.000 2.487 465 Y HA 0.700 5.243 4.550 -0.010 0.000 0.337 465 Y C 0.696 176.488 175.900 -0.180 0.000 1.076 465 Y CA -1.328 56.697 58.100 -0.124 0.000 1.115 465 Y CB 1.827 40.224 38.460 -0.105 0.000 1.235 465 Y HN 0.813 nan 8.280 nan 0.000 0.468 466 G N -0.102 108.689 108.800 -0.014 0.000 2.706 466 G HA2 0.770 4.724 3.960 -0.009 0.000 0.297 466 G HA3 0.770 4.724 3.960 -0.009 0.000 0.297 466 G C -1.913 172.802 174.900 -0.309 0.000 1.403 466 G CA -0.755 44.228 45.100 -0.195 0.000 0.954 466 G HN 0.845 nan 8.290 nan 0.000 0.500 467 A N 0.650 123.205 122.820 -0.441 0.000 2.572 467 A HA 0.826 5.141 4.320 -0.009 0.000 0.295 467 A C -1.323 175.953 177.584 -0.513 0.000 1.072 467 A CA -0.756 50.870 52.037 -0.685 0.000 0.691 467 A CB 1.044 19.631 19.000 -0.689 0.000 1.291 467 A HN 0.624 nan 8.150 nan 0.000 0.404 468 F N 0.691 120.474 119.950 -0.277 0.000 2.375 468 F HA 0.534 5.055 4.527 -0.009 0.000 0.333 468 F C 0.267 176.026 175.800 -0.069 0.000 1.104 468 F CA -0.455 57.484 58.000 -0.102 0.000 1.149 468 F CB 1.858 40.817 39.000 -0.068 0.000 1.190 468 F HN 0.287 nan 8.300 nan 0.000 0.533 469 V N 1.280 121.337 119.914 0.239 0.000 2.487 469 V HA 0.153 4.268 4.120 -0.009 0.000 0.298 469 V C -0.693 175.479 176.094 0.130 0.000 1.028 469 V CA -0.849 61.547 62.300 0.161 0.000 0.860 469 V CB 1.587 33.514 31.823 0.172 0.000 0.991 469 V HN 0.593 nan 8.190 nan 0.000 0.427 470 D N 5.559 126.024 120.400 0.109 0.000 2.619 470 D HA 0.368 5.003 4.640 -0.009 0.000 0.224 470 D C -0.179 176.168 176.300 0.079 0.000 1.133 470 D CA 0.068 54.120 54.000 0.086 0.000 1.017 470 D CB -0.155 40.692 40.800 0.080 0.000 1.077 470 D HN 0.632 nan 8.370 nan 0.000 0.503 471 I N -1.510 119.101 120.570 0.068 0.000 2.969 471 I HA 0.521 4.685 4.170 -0.009 0.000 0.307 471 I C -0.520 175.630 176.117 0.056 0.000 1.149 471 I CA -1.286 60.046 61.300 0.054 0.000 1.008 471 I CB 1.976 39.995 38.000 0.032 0.000 1.232 471 I HN -0.202 nan 8.210 nan 0.000 0.435 472 N N 4.732 123.470 118.700 0.063 0.000 2.420 472 N HA 0.361 5.095 4.740 -0.009 0.000 0.249 472 N C -1.896 173.643 175.510 0.049 0.000 1.033 472 N CA -2.269 50.839 53.050 0.096 0.000 0.944 472 N CB 1.346 39.904 38.487 0.119 0.000 1.113 472 N HN 0.471 nan 8.380 nan 0.000 0.502 473 P HA -0.001 nan 4.420 nan 0.000 0.242 473 P C 0.397 177.585 177.300 -0.186 0.000 1.197 473 P CA 0.662 63.680 63.100 -0.137 0.000 0.765 473 P CB 0.274 31.832 31.700 -0.237 0.000 0.936 474 H N -0.968 118.030 119.070 -0.121 0.000 2.353 474 H HA -0.046 4.505 4.556 -0.009 0.000 0.300 474 H C 1.140 176.435 175.328 -0.055 0.000 1.090 474 H CA 1.196 57.191 56.048 -0.088 0.000 1.327 474 H CB -0.346 29.389 29.762 -0.046 0.000 1.383 474 H HN 0.129 nan 8.280 nan 0.000 0.508 475 Q N 0.868 120.722 119.800 0.089 0.000 2.443 475 Q HA 0.166 4.500 4.340 -0.009 0.000 0.232 475 Q C -2.282 173.728 176.000 0.015 0.000 1.026 475 Q CA -1.858 53.971 55.803 0.043 0.000 0.924 475 Q CB 0.164 28.927 28.738 0.043 0.000 1.256 475 Q HN 0.156 nan 8.270 nan 0.000 0.519 476 P HA 0.107 nan 4.420 nan 0.000 0.275 476 P C -1.090 176.243 177.300 0.056 0.000 1.227 476 P CA -0.341 62.779 63.100 0.034 0.000 0.781 476 P CB 0.522 32.241 31.700 0.032 0.000 0.906 477 L N 2.018 123.300 121.223 0.098 0.000 2.281 477 L HA 0.309 4.644 4.340 -0.009 0.000 0.285 477 L C 0.923 177.961 176.870 0.280 0.000 1.074 477 L CA 0.424 55.314 54.840 0.084 0.000 0.817 477 L CB 0.515 42.543 42.059 -0.051 0.000 1.168 477 L HN 0.315 nan 8.230 nan 0.000 0.434 478 S N 4.196 120.045 115.700 0.248 0.000 2.480 478 S HA 0.747 5.212 4.470 -0.009 0.000 0.286 478 S C -0.857 174.047 174.600 0.506 0.000 1.180 478 S CA -0.551 57.839 58.200 0.317 0.000 1.075 478 S CB 0.652 63.984 63.200 0.219 0.000 0.996 478 S HN 0.454 nan 8.310 nan 0.000 0.487 479 L N 5.088 126.600 121.223 0.481 0.000 2.438 479 L HA 0.652 4.986 4.340 -0.009 0.000 0.270 479 L C -0.612 176.471 176.870 0.355 0.000 0.972 479 L CA -0.315 54.805 54.840 0.465 0.000 0.831 479 L CB 1.924 44.276 42.059 0.489 0.000 1.273 479 L HN 0.856 nan 8.230 nan 0.000 0.405 480 R N 3.804 124.531 120.500 0.378 0.000 2.740 480 R HA 0.970 5.304 4.340 -0.009 0.000 0.282 480 R C -1.659 174.824 176.300 0.305 0.000 0.969 480 R CA -0.452 55.840 56.100 0.320 0.000 0.918 480 R CB 1.979 32.444 30.300 0.275 0.000 1.175 480 R HN 0.822 nan 8.270 nan 0.000 0.464 481 A N 4.717 127.681 122.820 0.241 0.000 2.402 481 A HA 0.423 4.738 4.320 -0.009 0.000 0.291 481 A C -1.447 176.264 177.584 0.211 0.000 1.051 481 A CA -0.684 51.480 52.037 0.211 0.000 0.716 481 A CB 1.151 20.244 19.000 0.155 0.000 1.223 481 A HN 0.631 nan 8.150 nan 0.000 0.425 482 L N 3.325 124.697 121.223 0.248 0.000 2.257 482 L HA 0.495 4.830 4.340 -0.009 0.000 0.290 482 L C -0.575 176.453 176.870 0.263 0.000 1.044 482 L CA -0.063 54.957 54.840 0.300 0.000 0.810 482 L CB 1.023 43.310 42.059 0.381 0.000 1.193 482 L HN 0.581 nan 8.230 nan 0.000 0.425 483 I N 3.272 124.002 120.570 0.266 0.000 2.362 483 I HA 0.289 4.453 4.170 -0.009 0.000 0.289 483 I C -0.580 175.619 176.117 0.138 0.000 0.994 483 I CA -0.132 61.254 61.300 0.143 0.000 1.158 483 I CB 1.647 39.706 38.000 0.098 0.000 1.315 483 I HN 0.491 nan 8.210 nan 0.000 0.451 484 D N 5.921 126.307 120.400 -0.023 0.000 2.846 484 D HA 0.210 4.845 4.640 -0.009 0.000 0.279 484 D C 0.638 176.909 176.300 -0.050 0.000 1.222 484 D CA -0.047 53.886 54.000 -0.112 0.000 0.769 484 D CB 0.144 40.710 40.800 -0.389 0.000 1.299 484 D HN 0.649 nan 8.370 nan 0.000 0.537 485 H N 0.218 119.298 119.070 0.016 0.000 4.793 485 H HA -0.269 4.282 4.556 -0.008 0.000 0.067 485 H C 0.918 176.279 175.328 0.055 0.000 0.575 485 H CA 2.160 58.242 56.048 0.057 0.000 1.074 485 H CB -1.530 28.277 29.762 0.074 0.000 0.820 485 H HN 0.452 nan 8.280 nan 0.000 0.816 486 S N 0.902 116.662 115.700 0.100 0.000 2.846 486 S HA 0.524 4.988 4.470 -0.009 0.000 0.249 486 S C 0.102 174.536 174.600 -0.277 0.000 1.028 486 S CA 0.342 58.457 58.200 -0.142 0.000 1.043 486 S CB 1.408 64.518 63.200 -0.150 0.000 0.990 486 S HN 0.388 nan 8.310 nan 0.000 0.564 487 V N 1.181 120.968 119.914 -0.212 0.000 2.760 487 V HA 0.752 4.866 4.120 -0.009 0.000 0.309 487 V C -1.618 174.371 176.094 -0.174 0.000 1.077 487 V CA -0.575 61.574 62.300 -0.251 0.000 0.910 487 V CB 2.070 33.649 31.823 -0.408 0.000 1.008 487 V HN 0.244 nan 8.190 nan 0.000 0.424 488 V N 5.763 125.609 119.914 -0.115 0.000 2.487 488 V HA 0.586 4.700 4.120 -0.009 0.000 0.298 488 V C -0.388 175.677 176.094 -0.047 0.000 1.028 488 V CA -0.581 61.692 62.300 -0.044 0.000 0.860 488 V CB 1.836 33.645 31.823 -0.023 0.000 0.991 488 V HN 0.936 nan 8.190 nan 0.000 0.427 489 E N 2.589 122.791 120.200 0.004 0.000 2.141 489 E HA 0.460 4.805 4.350 -0.009 0.000 0.259 489 E C -0.897 175.603 176.600 -0.166 0.000 0.883 489 E CA -0.299 56.052 56.400 -0.081 0.000 0.744 489 E CB 1.663 31.426 29.700 0.105 0.000 1.150 489 E HN 0.661 nan 8.360 nan 0.000 0.420 490 S N 2.860 118.350 115.700 -0.350 0.000 2.462 490 S HA 0.500 4.964 4.470 -0.009 0.000 0.294 490 S C -0.643 173.666 174.600 -0.485 0.000 1.144 490 S CA -0.616 57.442 58.200 -0.237 0.000 1.088 490 S CB 0.408 63.527 63.200 -0.136 0.000 1.009 490 S HN 0.297 nan 8.310 nan 0.000 0.484 491 F N 1.288 121.277 119.950 0.066 0.000 2.496 491 F HA 0.575 5.096 4.527 -0.010 0.000 0.341 491 F C 0.810 176.759 175.800 0.249 0.000 1.134 491 F CA -0.723 57.368 58.000 0.152 0.000 0.968 491 F CB 1.549 40.650 39.000 0.169 0.000 1.205 491 F HN 0.681 nan 8.300 nan 0.000 0.436 492 G N 0.414 109.442 108.800 0.380 0.000 2.410 492 G HA2 0.463 4.417 3.960 -0.009 0.000 0.330 492 G HA3 0.463 4.417 3.960 -0.009 0.000 0.330 492 G C 0.578 175.726 174.900 0.413 0.000 1.142 492 G CA -0.478 44.911 45.100 0.481 0.000 0.902 492 G HN 1.186 nan 8.290 nan 0.000 0.491 493 G N 0.761 109.779 108.800 0.363 0.000 2.323 493 G HA2 -0.244 3.710 3.960 -0.009 0.000 0.292 493 G HA3 -0.244 3.710 3.960 -0.009 0.000 0.292 493 G C 0.621 175.636 174.900 0.192 0.000 1.040 493 G CA 0.482 45.713 45.100 0.219 0.000 0.942 493 G HN 1.145 nan 8.290 nan 0.000 0.506 494 K N -2.317 118.221 120.400 0.229 0.000 3.156 494 K HA -0.238 4.077 4.320 -0.009 0.000 0.266 494 K C 1.609 178.273 176.600 0.106 0.000 0.966 494 K CA 1.847 58.157 56.287 0.038 0.000 0.719 494 K CB -1.913 30.473 32.500 -0.191 0.000 1.333 494 K HN 2.362 nan 8.250 nan 0.000 0.468 495 G N -0.677 108.406 108.800 0.472 0.000 2.176 495 G HA2 -0.346 3.608 3.960 -0.009 0.000 0.232 495 G HA3 -0.346 3.608 3.960 -0.009 0.000 0.232 495 G C 0.942 175.989 174.900 0.244 0.000 0.986 495 G CA 0.389 45.780 45.100 0.485 0.000 0.643 495 G HN 0.424 nan 8.290 nan 0.000 0.522 496 R N 0.281 120.901 120.500 0.200 0.000 2.148 496 R HA 0.443 4.777 4.340 -0.009 0.000 0.223 496 R C 1.219 177.629 176.300 0.183 0.000 1.088 496 R CA 1.300 57.489 56.100 0.148 0.000 0.985 496 R CB 0.133 30.510 30.300 0.129 0.000 0.880 496 R HN 0.738 nan 8.270 nan 0.000 0.451 497 A N 0.157 123.103 122.820 0.210 0.000 2.375 497 A HA 0.485 4.799 4.320 -0.009 0.000 0.295 497 A C -1.030 176.629 177.584 0.126 0.000 1.066 497 A CA -0.735 51.403 52.037 0.170 0.000 0.722 497 A CB 1.131 20.194 19.000 0.103 0.000 1.206 497 A HN 0.181 nan 8.150 nan 0.000 0.435 498 C N 2.318 121.657 119.300 0.064 0.000 2.417 498 C HA 0.790 5.244 4.460 -0.009 0.000 0.324 498 C C -0.160 174.712 174.990 -0.196 0.000 1.240 498 C CA -0.483 58.415 59.018 -0.200 0.000 1.632 498 C CB -0.040 27.553 27.740 -0.243 0.000 2.241 498 C HN 0.698 nan 8.230 nan 0.000 0.499 499 I N 2.352 122.735 120.570 -0.313 0.000 2.512 499 I HA 0.339 4.503 4.170 -0.009 0.000 0.287 499 I C -0.190 175.769 176.117 -0.262 0.000 1.069 499 I CA 0.105 61.265 61.300 -0.233 0.000 1.056 499 I CB 2.072 40.001 38.000 -0.118 0.000 1.229 499 I HN 0.583 nan 8.210 nan 0.000 0.429 500 T N 3.903 118.313 114.554 -0.239 0.000 2.829 500 T HA 0.638 4.982 4.350 -0.009 0.000 0.282 500 T C -0.144 174.483 174.700 -0.121 0.000 0.990 500 T CA -0.680 61.326 62.100 -0.156 0.000 1.028 500 T CB 1.490 70.316 68.868 -0.070 0.000 0.951 500 T HN 0.710 nan 8.240 nan 0.000 0.460 501 S N 2.346 118.029 115.700 -0.028 0.000 2.588 501 S HA 0.767 5.231 4.470 -0.009 0.000 0.275 501 S C -1.389 173.190 174.600 -0.034 0.000 1.130 501 S CA -1.282 56.978 58.200 0.100 0.000 0.855 501 S CB 1.803 65.106 63.200 0.172 0.000 1.116 501 S HN 0.430 nan 8.310 nan 0.000 0.472 502 R N 1.452 121.927 120.500 -0.043 0.000 2.435 502 R HA 0.611 4.946 4.340 -0.009 0.000 0.308 502 R C -0.696 175.395 176.300 -0.348 0.000 0.975 502 R CA -0.563 55.406 56.100 -0.219 0.000 0.867 502 R CB 1.088 31.309 30.300 -0.132 0.000 1.171 502 R HN 0.855 nan 8.270 nan 0.000 0.470 503 V N 0.273 119.880 119.914 -0.512 0.000 2.864 503 V HA 0.674 4.788 4.120 -0.009 0.000 0.314 503 V C -1.058 174.599 176.094 -0.728 0.000 1.073 503 V CA -0.859 61.178 62.300 -0.439 0.000 0.956 503 V CB 2.222 33.934 31.823 -0.185 0.000 1.023 503 V HN 0.638 nan 8.190 nan 0.000 0.435 504 Y N 2.522 122.705 120.300 -0.194 0.000 2.662 504 Y HA 0.546 5.093 4.550 -0.005 0.000 0.358 504 Y C -2.668 173.200 175.900 -0.054 0.000 1.041 504 Y CA -2.352 55.496 58.100 -0.420 0.000 1.184 504 Y CB 1.226 39.173 38.460 -0.855 0.000 1.114 504 Y HN 0.518 nan 8.280 nan 0.000 0.650 505 P HA 0.090 nan 4.420 nan 0.000 0.271 505 P C 0.738 178.225 177.300 0.312 0.000 1.216 505 P CA -0.287 62.947 63.100 0.224 0.000 0.776 505 P CB 1.366 33.174 31.700 0.180 0.000 0.881 506 K N 1.724 122.242 120.400 0.198 0.000 2.137 506 K HA 0.098 4.412 4.320 -0.009 0.000 0.202 506 K C 1.621 178.294 176.600 0.122 0.000 1.052 506 K CA 1.081 57.468 56.287 0.167 0.000 0.961 506 K CB -0.295 32.272 32.500 0.112 0.000 0.741 506 K HN 0.421 nan 8.250 nan 0.000 0.452 507 L N 0.221 121.511 121.223 0.111 0.000 2.262 507 L HA 0.157 4.492 4.340 -0.009 0.000 0.197 507 L C 0.766 177.707 176.870 0.119 0.000 1.073 507 L CA 0.199 55.100 54.840 0.102 0.000 0.800 507 L CB -0.126 41.989 42.059 0.094 0.000 0.987 507 L HN -0.110 nan 8.230 nan 0.000 0.470 508 A N 1.305 124.206 122.820 0.135 0.000 2.981 508 A HA 0.325 4.640 4.320 -0.009 0.000 0.280 508 A C -0.182 177.481 177.584 0.131 0.000 1.797 508 A CA 0.364 52.487 52.037 0.143 0.000 1.456 508 A CB -1.298 17.794 19.000 0.153 0.000 1.057 508 A HN 0.285 nan 8.150 nan 0.000 0.602 509 I N 0.860 121.496 120.570 0.110 0.000 2.545 509 I HA 0.493 4.657 4.170 -0.009 0.000 0.292 509 I C 1.244 177.415 176.117 0.089 0.000 1.040 509 I CA -0.074 61.289 61.300 0.106 0.000 1.068 509 I CB 2.010 40.050 38.000 0.066 0.000 1.251 509 I HN 0.747 nan 8.210 nan 0.000 0.424 510 G N 6.075 114.955 108.800 0.133 0.000 2.690 510 G HA2 -0.400 3.554 3.960 -0.009 0.000 0.334 510 G HA3 -0.400 3.554 3.960 -0.009 0.000 0.334 510 G C 1.005 175.934 174.900 0.049 0.000 1.250 510 G CA 0.988 46.166 45.100 0.130 0.000 0.994 510 G HN 0.845 nan 8.290 nan 0.000 0.549 511 K N 0.033 120.453 120.400 0.034 0.000 2.362 511 K HA 0.171 4.485 4.320 -0.009 0.000 0.200 511 K C 2.046 178.624 176.600 -0.036 0.000 1.046 511 K CA 1.900 58.185 56.287 -0.004 0.000 0.952 511 K CB -0.065 32.442 32.500 0.012 0.000 0.753 511 K HN 0.268 nan 8.250 nan 0.000 0.466 512 S N 1.337 117.040 115.700 0.004 0.000 2.605 512 S HA 0.018 4.482 4.470 -0.009 0.000 0.217 512 S C 0.248 174.872 174.600 0.040 0.000 0.958 512 S CA -0.147 58.076 58.200 0.039 0.000 0.919 512 S CB 0.180 63.433 63.200 0.088 0.000 0.780 512 S HN 0.510 nan 8.310 nan 0.000 0.507 513 S N 1.560 117.226 115.700 -0.057 0.000 2.578 513 S HA 0.531 4.995 4.470 -0.009 0.000 0.283 513 S C -0.571 173.893 174.600 -0.227 0.000 1.195 513 S CA -0.698 57.494 58.200 -0.012 0.000 1.050 513 S CB 1.042 64.249 63.200 0.013 0.000 1.012 513 S HN 0.365 nan 8.310 nan 0.000 0.511 514 H N 0.505 119.610 119.070 0.058 0.000 2.797 514 H HA 0.652 5.202 4.556 -0.010 0.000 0.362 514 H C -1.283 174.002 175.328 -0.072 0.000 1.183 514 H CA -0.812 55.206 56.048 -0.051 0.000 1.197 514 H CB 1.796 31.522 29.762 -0.060 0.000 1.835 514 H HN 0.525 nan 8.280 nan 0.000 0.567 515 L N 1.594 122.704 121.223 -0.189 0.000 2.406 515 L HA 0.418 4.752 4.340 -0.009 0.000 0.272 515 L C -1.819 174.815 176.870 -0.393 0.000 0.980 515 L CA -0.286 54.469 54.840 -0.141 0.000 0.831 515 L CB 0.767 42.759 42.059 -0.112 0.000 1.253 515 L HN 0.359 nan 8.230 nan 0.000 0.406 516 F N 3.094 123.066 119.950 0.036 0.000 2.579 516 F HA 0.862 5.383 4.527 -0.010 0.000 0.324 516 F C 0.274 176.145 175.800 0.118 0.000 1.058 516 F CA -0.587 57.434 58.000 0.035 0.000 0.944 516 F CB 2.138 41.144 39.000 0.009 0.000 1.245 516 F HN 0.579 nan 8.300 nan 0.000 0.477 517 A N 2.253 125.263 122.820 0.318 0.000 2.330 517 A HA 0.835 5.149 4.320 -0.009 0.000 0.327 517 A C -1.258 176.521 177.584 0.325 0.000 1.155 517 A CA -0.439 51.784 52.037 0.311 0.000 0.803 517 A CB 0.453 19.573 19.000 0.200 0.000 1.208 517 A HN 0.723 nan 8.150 nan 0.000 0.477 518 F N 0.597 120.583 119.950 0.060 0.000 2.664 518 F HA 0.887 5.409 4.527 -0.009 0.000 0.329 518 F C -0.786 174.921 175.800 -0.154 0.000 1.090 518 F CA -1.213 56.700 58.000 -0.144 0.000 0.978 518 F CB 1.835 40.560 39.000 -0.458 0.000 1.378 518 F HN 0.435 nan 8.300 nan 0.000 0.495 519 N N 0.345 118.895 118.700 -0.250 0.000 2.752 519 N HA 0.213 4.947 4.740 -0.009 0.000 0.268 519 N C -1.885 173.667 175.510 0.070 0.000 1.190 519 N CA -0.600 52.328 53.050 -0.203 0.000 0.897 519 N CB 0.389 38.832 38.487 -0.074 0.000 1.515 519 N HN 0.815 nan 8.380 nan 0.000 0.567 520 Y N 0.765 121.082 120.300 0.027 0.000 2.636 520 Y HA 0.370 4.914 4.550 -0.010 0.000 0.260 520 Y C 1.687 177.512 175.900 -0.126 0.000 1.177 520 Y CA -0.874 57.207 58.100 -0.032 0.000 1.209 520 Y CB 1.018 39.463 38.460 -0.026 0.000 1.166 520 Y HN 0.505 nan 8.280 nan 0.000 0.531 521 G N -0.595 108.225 108.800 0.034 0.000 2.651 521 G HA2 -0.031 3.924 3.960 -0.009 0.000 0.260 521 G HA3 -0.031 3.924 3.960 -0.009 0.000 0.260 521 G C 0.005 174.877 174.900 -0.047 0.000 1.216 521 G CA -0.211 44.868 45.100 -0.034 0.000 0.913 521 G HN 0.392 nan 8.290 nan 0.000 0.535 522 Y N -0.743 119.586 120.300 0.047 0.000 2.395 522 Y HA 0.018 4.563 4.550 -0.009 0.000 0.293 522 Y C 1.623 177.535 175.900 0.021 0.000 1.123 522 Y CA 0.610 58.731 58.100 0.034 0.000 1.227 522 Y CB 0.345 38.824 38.460 0.032 0.000 1.012 522 Y HN 0.176 nan 8.280 nan 0.000 0.552 523 Q N 0.599 120.496 119.800 0.162 0.000 2.245 523 Q HA 0.250 4.585 4.340 -0.009 0.000 0.256 523 Q C -0.086 175.925 176.000 0.019 0.000 0.942 523 Q CA -0.508 55.339 55.803 0.075 0.000 0.896 523 Q CB 1.729 30.494 28.738 0.044 0.000 1.272 523 Q HN 0.158 nan 8.270 nan 0.000 0.442 524 S N 0.102 115.800 115.700 -0.002 0.000 2.580 524 S HA 0.568 5.032 4.470 -0.009 0.000 0.274 524 S C 0.341 174.882 174.600 -0.099 0.000 1.329 524 S CA -0.656 57.524 58.200 -0.034 0.000 1.036 524 S CB 0.769 63.961 63.200 -0.013 0.000 0.919 524 S HN 0.446 nan 8.310 nan 0.000 0.515 525 V N -0.859 118.962 119.914 -0.155 0.000 2.914 525 V HA 0.673 4.787 4.120 -0.009 0.000 0.314 525 V C -1.258 174.749 176.094 -0.146 0.000 1.084 525 V CA -1.129 61.016 62.300 -0.258 0.000 0.963 525 V CB 1.715 33.153 31.823 -0.641 0.000 1.025 525 V HN 0.777 nan 8.190 nan 0.000 0.432 526 D N 1.881 122.209 120.400 -0.120 0.000 2.198 526 D HA 0.498 5.133 4.640 -0.009 0.000 0.245 526 D C -0.263 176.021 176.300 -0.026 0.000 1.079 526 D CA -0.119 53.847 54.000 -0.058 0.000 0.854 526 D CB 1.933 42.700 40.800 -0.055 0.000 1.148 526 D HN 0.500 nan 8.370 nan 0.000 0.456 527 V N 4.397 124.292 119.914 -0.032 0.000 2.338 527 V HA 0.050 4.164 4.120 -0.009 0.000 0.255 527 V C 1.739 177.774 176.094 -0.098 0.000 1.082 527 V CA -0.126 62.111 62.300 -0.106 0.000 0.951 527 V CB 0.498 32.253 31.823 -0.113 0.000 1.102 527 V HN 0.574 nan 8.190 nan 0.000 0.489 528 L N 3.227 124.391 121.223 -0.098 0.000 1.989 528 L HA -0.072 4.262 4.340 -0.009 0.000 0.211 528 L C 1.020 177.843 176.870 -0.077 0.000 1.071 528 L CA 1.623 56.421 54.840 -0.070 0.000 0.749 528 L CB 0.128 42.155 42.059 -0.053 0.000 0.890 528 L HN 0.769 nan 8.230 nan 0.000 0.431 529 N N -1.147 117.488 118.700 -0.108 0.000 2.431 529 N HA 0.408 5.143 4.740 -0.009 0.000 0.275 529 N C -1.929 173.499 175.510 -0.138 0.000 1.091 529 N CA -0.524 52.467 53.050 -0.099 0.000 0.922 529 N CB 1.534 39.984 38.487 -0.061 0.000 1.666 529 N HN -0.110 nan 8.380 nan 0.000 0.484 530 L N 2.565 123.705 121.223 -0.139 0.000 2.470 530 L HA 0.695 5.029 4.340 -0.009 0.000 0.268 530 L C -1.748 175.002 176.870 -0.200 0.000 0.964 530 L CA -0.548 54.196 54.840 -0.159 0.000 0.839 530 L CB 1.592 43.555 42.059 -0.161 0.000 1.276 530 L HN 0.567 nan 8.230 nan 0.000 0.403 531 N N 3.925 122.474 118.700 -0.252 0.000 2.372 531 N HA 0.829 5.564 4.740 -0.009 0.000 0.285 531 N C -1.157 174.020 175.510 -0.555 0.000 1.008 531 N CA -0.256 52.470 53.050 -0.540 0.000 0.880 531 N CB 2.254 40.268 38.487 -0.788 0.000 1.239 531 N HN 0.840 nan 8.380 nan 0.000 0.484 532 A N 2.497 124.959 122.820 -0.596 0.000 2.335 532 A HA 0.610 4.925 4.320 -0.009 0.000 0.304 532 A C -1.195 176.136 177.584 -0.422 0.000 1.118 532 A CA -0.746 51.086 52.037 -0.342 0.000 0.757 532 A CB 1.060 19.953 19.000 -0.178 0.000 1.188 532 A HN 0.546 nan 8.150 nan 0.000 0.460 533 W N 2.105 123.387 121.300 -0.031 0.000 2.529 533 W HA 0.378 5.032 4.660 -0.010 0.000 0.321 533 W C -0.082 176.404 176.519 -0.056 0.000 1.047 533 W CA -0.659 56.659 57.345 -0.046 0.000 1.216 533 W CB 2.112 31.534 29.460 -0.064 0.000 1.357 533 W HN 0.629 nan 8.180 nan 0.000 0.489 534 S N 3.491 119.280 115.700 0.148 0.000 2.549 534 S HA 0.209 4.673 4.470 -0.009 0.000 0.283 534 S C 0.346 174.971 174.600 0.042 0.000 1.320 534 S CA -0.138 58.108 58.200 0.076 0.000 1.058 534 S CB 0.317 63.545 63.200 0.047 0.000 0.882 534 S HN 0.180 nan 8.310 nan 0.000 0.498 535 M N 3.907 123.493 119.600 -0.023 0.000 2.129 535 M HA 0.294 4.768 4.480 -0.009 0.000 0.348 535 M C 0.152 176.391 176.300 -0.101 0.000 1.116 535 M CA -0.533 54.657 55.300 -0.182 0.000 1.022 535 M CB 0.844 33.142 32.600 -0.502 0.000 1.599 535 M HN 0.512 nan 8.290 nan 0.000 0.449 536 N N 1.054 119.687 118.700 -0.111 0.000 2.482 536 N HA 0.172 4.906 4.740 -0.009 0.000 0.260 536 N C -0.221 175.290 175.510 0.002 0.000 1.236 536 N CA 0.172 53.200 53.050 -0.037 0.000 0.938 536 N CB 0.855 39.315 38.487 -0.045 0.000 1.128 536 N HN 0.508 nan 8.380 nan 0.000 0.448 537 S N 0.226 115.966 115.700 0.068 0.000 2.585 537 S HA 0.360 4.824 4.470 -0.009 0.000 0.273 537 S C 0.249 174.901 174.600 0.086 0.000 1.339 537 S CA -0.714 57.559 58.200 0.122 0.000 1.028 537 S CB 0.836 64.091 63.200 0.092 0.000 0.906 537 S HN 0.633 nan 8.310 nan 0.000 0.528 538 A N 1.465 124.363 122.820 0.129 0.000 2.269 538 A HA 0.579 4.893 4.320 -0.009 0.000 0.319 538 A C -0.200 177.422 177.584 0.062 0.000 1.110 538 A CA -0.638 51.457 52.037 0.098 0.000 0.847 538 A CB 0.517 19.616 19.000 0.165 0.000 1.161 538 A HN 0.677 nan 8.150 nan 0.000 0.497 539 Q N 0.843 120.668 119.800 0.042 0.000 2.441 539 Q HA 0.570 4.905 4.340 -0.009 0.000 0.234 539 Q C -1.423 174.612 176.000 0.058 0.000 1.078 539 Q CA 0.555 56.370 55.803 0.021 0.000 0.907 539 Q CB -0.397 28.337 28.738 -0.007 0.000 1.269 539 Q HN 0.505 nan 8.270 nan 0.000 0.502 540 I N 2.385 122.979 120.570 0.039 0.000 2.545 540 I HA 0.354 4.518 4.170 -0.009 0.000 0.292 540 I C 0.267 176.333 176.117 -0.085 0.000 1.040 540 I CA -1.017 60.310 61.300 0.046 0.000 1.068 540 I CB 2.171 40.170 38.000 -0.002 0.000 1.251 540 I HN 0.632 nan 8.210 nan 0.000 0.424 541 S N 0.000 115.641 115.700 -0.098 0.000 2.498 541 S HA 0.000 4.464 4.470 -0.009 0.000 0.327 541 S CA 0.000 58.112 58.200 -0.146 0.000 1.107 541 S CB 0.000 63.105 63.200 -0.158 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517