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 2gq3_1_B DATA FIRST_RESID 2 DATA SEQUENCE TDRVSVGNLR IARVLYDFVN NEALPGTDID PDSFWAGVDK VVADLTPQNQ DATA SEQUENCE ALLNARDELQ AQIDKWHRRR VIEPIDMDAY RQFLTEIGYL LPEPDDFTIT DATA SEQUENCE TSGVDAEITT TAGPQLVVPV LNARFALNAA NARWGSLYDA LYGTDVIPEX DATA SEQUENCE XXAEKGPTYN KVRGDKVIAY ARKFLDDSVP LSSGSFGDAT GFTVQDGQLV DATA SEQUENCE VALPDKSTGL ANPGQFAGYT GAAESPTSVL LINHGLHIEI LIDPESQVGT DATA SEQUENCE TDRAGVKDVI LESAITTIMD FEDSVAAVDA ADKVLGYRNW LGLNKGDLAA DATA SEQUENCE AXXXXXXXXL RVLNRDRNYT APGGGQFTLP GRSLMFVRNV GHLMTNDAIV DATA SEQUENCE DTDGSEVFEG IMDALFTGLI AIHGLKASDV NGPLINSRTG SIYIVKPKMH DATA SEQUENCE GPAEVAFTCE LFSRVEDVLG LPQNTMKIGI MDEERRTTVN LKACIKAAAD DATA SEQUENCE RVVFINTGFL DRTGDEIHTS MEAGPMVRKG TMKSQPWILA YEDHNVDAGL DATA SEQUENCE AAGFSGRAQV GKGMWTMTEL MADMVETKIA QPRAGASTAW VPSPTAATLH DATA SEQUENCE ALHYHQVDVA AVQQGLAGKR RATIEQLLTI PLAKELAWAP DEIREEVDNN DATA SEQUENCE CQSILGYVVR WVDQGVGCSK VPDIHDVALM EDRATLRISS QLLANWLRHG DATA SEQUENCE VITSADVRAS LERMAPLVDR QNAGDVAYRP MAPNFDDSIA FLAAQELILS DATA SEQUENCE GAQQPNGYTE PILHRRRREF KARAA 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.687 174.700 -0.022 0.000 1.109 2 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 2 T CB 0.000 68.862 68.868 -0.011 0.000 0.612 3 D N -1.127 119.257 120.400 -0.028 0.000 2.368 3 D HA 0.222 4.862 4.640 0.001 0.000 0.305 3 D C 0.222 176.485 176.300 -0.060 0.000 1.143 3 D CA -0.588 53.391 54.000 -0.036 0.000 0.847 3 D CB -0.062 40.727 40.800 -0.019 0.000 1.357 3 D HN 0.563 nan 8.370 nan 0.000 0.526 4 R N 1.249 121.713 120.500 -0.060 0.000 2.537 4 R HA 0.326 4.666 4.340 0.001 0.000 0.281 4 R C -0.194 176.010 176.300 -0.160 0.000 0.988 4 R CA -0.083 55.963 56.100 -0.090 0.000 1.077 4 R CB 0.835 31.100 30.300 -0.058 0.000 0.932 4 R HN 0.004 nan 8.270 nan 0.000 0.409 5 V N 2.071 121.817 119.914 -0.280 0.000 2.583 5 V HA 0.064 4.185 4.120 0.001 0.000 0.287 5 V C 0.603 176.486 176.094 -0.353 0.000 1.051 5 V CA -0.203 61.837 62.300 -0.433 0.000 1.010 5 V CB 1.555 32.819 31.823 -0.932 0.000 0.988 5 V HN 0.665 nan 8.190 nan 0.000 0.478 6 S N 3.564 119.105 115.700 -0.265 0.000 2.461 6 S HA 0.542 5.012 4.470 0.001 0.000 0.322 6 S C -0.547 173.973 174.600 -0.134 0.000 1.063 6 S CA -0.402 57.702 58.200 -0.159 0.000 1.120 6 S CB 0.664 63.804 63.200 -0.101 0.000 0.968 6 S HN 0.522 nan 8.310 nan 0.000 0.467 7 V N 5.305 125.162 119.914 -0.095 0.000 2.378 7 V HA 0.608 4.729 4.120 0.001 0.000 0.288 7 V C 1.216 177.329 176.094 0.031 0.000 1.016 7 V CA 0.395 62.685 62.300 -0.016 0.000 0.840 7 V CB 0.560 32.405 31.823 0.038 0.000 0.994 7 V HN 1.118 nan 8.190 nan 0.000 0.431 8 G N 5.738 114.555 108.800 0.029 0.000 5.059 8 G HA2 -0.407 3.554 3.960 0.001 0.000 0.336 8 G HA3 -0.407 3.554 3.960 0.001 0.000 0.336 8 G C 0.719 175.635 174.900 0.026 0.000 1.364 8 G CA 1.268 46.389 45.100 0.035 0.000 1.020 8 G HN 0.832 nan 8.290 nan 0.000 0.807 9 N N -0.098 118.623 118.700 0.035 0.000 2.217 9 N HA 0.418 5.158 4.740 0.001 0.000 0.239 9 N C -0.302 175.228 175.510 0.034 0.000 1.330 9 N CA 0.002 53.069 53.050 0.029 0.000 0.838 9 N CB 0.306 38.812 38.487 0.032 0.000 1.287 9 N HN 0.545 nan 8.380 nan 0.000 0.498 10 L N 0.597 121.843 121.223 0.039 0.000 2.341 10 L HA 0.615 4.955 4.340 0.001 0.000 0.267 10 L C -0.254 176.621 176.870 0.008 0.000 1.009 10 L CA -0.990 53.879 54.840 0.049 0.000 0.819 10 L CB 2.323 44.445 42.059 0.106 0.000 1.323 10 L HN -0.114 nan 8.230 nan 0.000 0.425 11 R N 2.433 122.938 120.500 0.009 0.000 2.320 11 R HA 0.548 4.888 4.340 0.001 0.000 0.319 11 R C -1.235 175.057 176.300 -0.013 0.000 0.969 11 R CA -0.560 55.522 56.100 -0.030 0.000 0.857 11 R CB 1.310 31.598 30.300 -0.020 0.000 1.160 11 R HN 0.388 nan 8.270 nan 0.000 0.491 12 I N 2.367 122.891 120.570 -0.076 0.000 2.342 12 I HA 0.243 4.413 4.170 0.001 0.000 0.291 12 I C 0.738 176.844 176.117 -0.019 0.000 1.010 12 I CA -0.289 60.995 61.300 -0.026 0.000 1.308 12 I CB 1.631 39.549 38.000 -0.137 0.000 1.400 12 I HN 0.588 nan 8.210 nan 0.000 0.488 13 A N 5.650 128.505 122.820 0.058 0.000 2.546 13 A HA 0.099 4.420 4.320 0.001 0.000 0.243 13 A C 1.585 179.218 177.584 0.081 0.000 1.063 13 A CA -0.080 51.992 52.037 0.058 0.000 0.757 13 A CB -0.005 19.042 19.000 0.078 0.000 0.991 13 A HN 0.883 nan 8.150 nan 0.000 0.503 14 R N 2.390 122.924 120.500 0.056 0.000 2.094 14 R HA -0.169 4.172 4.340 0.001 0.000 0.239 14 R C 1.802 178.188 176.300 0.142 0.000 1.137 14 R CA 2.407 58.564 56.100 0.094 0.000 0.943 14 R CB -0.886 29.446 30.300 0.053 0.000 0.850 14 R HN 0.637 nan 8.270 nan 0.000 0.433 15 V N 0.860 120.837 119.914 0.106 0.000 2.242 15 V HA -0.360 3.761 4.120 0.001 0.000 0.257 15 V C 2.238 178.433 176.094 0.168 0.000 1.073 15 V CA 2.279 64.644 62.300 0.109 0.000 1.058 15 V CB -0.848 31.015 31.823 0.066 0.000 0.664 15 V HN 0.397 nan 8.190 nan 0.000 0.451 16 L N -1.305 120.026 121.223 0.181 0.000 2.044 16 L HA -0.100 4.241 4.340 0.001 0.000 0.205 16 L C 2.246 179.300 176.870 0.307 0.000 1.075 16 L CA 1.911 56.894 54.840 0.239 0.000 0.747 16 L CB -0.960 41.225 42.059 0.211 0.000 0.903 16 L HN 0.417 nan 8.230 nan 0.000 0.435 17 Y N 0.546 120.918 120.300 0.121 0.000 2.165 17 Y HA -0.282 4.269 4.550 0.001 0.000 0.286 17 Y C 2.289 178.274 175.900 0.143 0.000 1.155 17 Y CA 2.219 60.356 58.100 0.062 0.000 1.164 17 Y CB -0.260 38.113 38.460 -0.145 0.000 0.978 17 Y HN 0.333 nan 8.280 nan 0.000 0.513 18 D N -1.014 119.496 120.400 0.184 0.000 2.183 18 D HA -0.164 4.476 4.640 0.001 0.000 0.203 18 D C 1.916 178.279 176.300 0.105 0.000 0.969 18 D CA 1.064 55.132 54.000 0.114 0.000 0.842 18 D CB -0.505 40.380 40.800 0.142 0.000 0.957 18 D HN 0.447 nan 8.370 nan 0.000 0.484 19 F N 0.978 120.947 119.950 0.030 0.000 2.293 19 F HA -0.092 4.436 4.527 0.001 0.000 0.297 19 F C 1.932 177.726 175.800 -0.011 0.000 1.089 19 F CA 0.722 58.735 58.000 0.022 0.000 1.377 19 F CB -0.079 38.957 39.000 0.059 0.000 1.051 19 F HN -0.256 nan 8.300 nan 0.000 0.511 20 V N 1.240 121.075 119.914 -0.132 0.000 2.283 20 V HA -0.277 3.843 4.120 0.001 0.000 0.243 20 V C 2.035 177.961 176.094 -0.281 0.000 1.039 20 V CA 2.366 64.507 62.300 -0.265 0.000 1.016 20 V CB -0.918 30.939 31.823 0.057 0.000 0.650 20 V HN 0.385 nan 8.190 nan 0.000 0.449 21 N N 0.744 119.337 118.700 -0.178 0.000 2.120 21 N HA -0.157 4.583 4.740 0.001 0.000 0.188 21 N C 1.426 176.837 175.510 -0.165 0.000 1.024 21 N CA 1.512 54.456 53.050 -0.176 0.000 0.852 21 N CB -0.150 38.177 38.487 -0.266 0.000 1.003 21 N HN 0.503 nan 8.380 nan 0.000 0.424 22 N N 0.423 119.026 118.700 -0.161 0.000 2.405 22 N HA 0.001 4.742 4.740 0.001 0.000 0.175 22 N C 0.837 176.241 175.510 -0.177 0.000 1.051 22 N CA 0.738 53.713 53.050 -0.124 0.000 0.899 22 N CB 0.369 38.819 38.487 -0.061 0.000 1.000 22 N HN 0.425 nan 8.380 nan 0.000 0.451 23 E N 0.089 120.102 120.200 -0.312 0.000 2.357 23 E HA 0.284 4.635 4.350 0.001 0.000 0.202 23 E C 1.554 177.873 176.600 -0.468 0.000 0.855 23 E CA 0.188 56.357 56.400 -0.385 0.000 1.048 23 E CB 0.248 29.672 29.700 -0.461 0.000 1.037 23 E HN 0.154 nan 8.360 nan 0.000 0.499 24 A N 1.184 123.622 122.820 -0.636 0.000 1.871 24 A HA 0.047 4.367 4.320 0.001 0.000 0.211 24 A C 2.103 179.561 177.584 -0.209 0.000 1.207 24 A CA 0.559 52.332 52.037 -0.440 0.000 0.620 24 A CB -0.597 18.057 19.000 -0.578 0.000 0.860 24 A HN 0.075 nan 8.150 nan 0.000 0.450 25 L N -0.094 120.942 121.223 -0.312 0.000 2.131 25 L HA -0.012 4.329 4.340 0.001 0.000 0.210 25 L C -1.653 175.127 176.870 -0.150 0.000 1.092 25 L CA 0.230 54.895 54.840 -0.291 0.000 0.759 25 L CB -1.186 40.680 42.059 -0.322 0.000 0.903 25 L HN 0.234 nan 8.230 nan 0.000 0.435 26 P HA 0.118 nan 4.420 nan 0.000 0.275 26 P C 0.666 177.979 177.300 0.022 0.000 1.228 26 P CA 0.838 63.902 63.100 -0.060 0.000 0.786 26 P CB 0.878 32.533 31.700 -0.076 0.000 0.927 27 G N 1.618 110.422 108.800 0.007 0.000 2.212 27 G HA2 -0.328 3.633 3.960 0.001 0.000 0.266 27 G HA3 -0.328 3.633 3.960 0.001 0.000 0.266 27 G C 1.051 175.940 174.900 -0.018 0.000 0.978 27 G CA 0.937 46.060 45.100 0.039 0.000 0.632 27 G HN 0.655 nan 8.290 nan 0.000 0.537 28 T N -3.581 110.912 114.554 -0.101 0.000 2.937 28 T HA 0.268 4.618 4.350 0.001 0.000 0.260 28 T C 1.306 175.916 174.700 -0.149 0.000 1.051 28 T CA 1.540 63.501 62.100 -0.231 0.000 1.141 28 T CB 0.105 68.790 68.868 -0.305 0.000 0.879 28 T HN 0.612 nan 8.240 nan 0.000 0.459 29 D N -0.041 120.296 120.400 -0.106 0.000 2.458 29 D HA -0.097 4.543 4.640 0.001 0.000 0.173 29 D C -0.424 175.837 176.300 -0.066 0.000 0.913 29 D CA 0.546 54.502 54.000 -0.074 0.000 0.996 29 D CB -1.463 39.297 40.800 -0.066 0.000 1.052 29 D HN 0.407 nan 8.370 nan 0.000 0.478 30 I N 2.556 123.073 120.570 -0.089 0.000 2.710 30 I HA 0.100 4.271 4.170 0.001 0.000 0.286 30 I C 1.031 177.129 176.117 -0.031 0.000 1.181 30 I CA -0.253 61.012 61.300 -0.058 0.000 1.430 30 I CB -0.379 37.572 38.000 -0.080 0.000 1.367 30 I HN -0.007 nan 8.210 nan 0.000 0.577 31 D N 8.065 128.472 120.400 0.011 0.000 2.417 31 D HA 0.137 4.777 4.640 0.001 0.000 0.250 31 D C -1.654 174.701 176.300 0.091 0.000 1.166 31 D CA -1.015 53.010 54.000 0.042 0.000 0.881 31 D CB 1.213 42.044 40.800 0.051 0.000 1.164 31 D HN 0.244 nan 8.370 nan 0.000 0.467 32 P HA -0.203 nan 4.420 nan 0.000 0.216 32 P C 0.680 178.204 177.300 0.373 0.000 1.167 32 P CA 1.176 64.408 63.100 0.220 0.000 0.914 32 P CB 0.116 31.939 31.700 0.204 0.000 0.793 33 D N -1.167 119.411 120.400 0.296 0.000 2.221 33 D HA -0.096 4.545 4.640 0.001 0.000 0.204 33 D C 1.932 178.370 176.300 0.230 0.000 0.982 33 D CA 1.150 55.324 54.000 0.289 0.000 0.857 33 D CB -0.468 40.445 40.800 0.187 0.000 0.934 33 D HN 0.184 nan 8.370 nan 0.000 0.475 34 S N 0.026 115.828 115.700 0.170 0.000 2.377 34 S HA -0.060 4.411 4.470 0.001 0.000 0.223 34 S C 1.609 176.268 174.600 0.099 0.000 1.030 34 S CA 0.007 58.274 58.200 0.112 0.000 0.970 34 S CB -0.236 63.012 63.200 0.079 0.000 0.830 34 S HN 0.239 nan 8.310 nan 0.000 0.473 35 F N 1.594 121.512 119.950 -0.054 0.000 2.043 35 F HA -0.184 4.344 4.527 0.001 0.000 0.297 35 F C 1.760 177.427 175.800 -0.222 0.000 1.121 35 F CA 1.558 59.434 58.000 -0.207 0.000 1.199 35 F CB -0.671 38.113 39.000 -0.360 0.000 0.968 35 F HN 0.234 nan 8.300 nan 0.000 0.478 36 W N 0.287 121.581 121.300 -0.010 0.000 2.374 36 W HA -0.072 4.589 4.660 0.001 0.000 0.288 36 W C 2.609 179.085 176.519 -0.072 0.000 1.218 36 W CA 1.376 58.681 57.345 -0.066 0.000 1.245 36 W CB -1.097 28.463 29.460 0.167 0.000 1.126 36 W HN 0.145 nan 8.180 nan 0.000 0.545 37 A N 0.831 123.748 122.820 0.162 0.000 1.883 37 A HA -0.120 4.201 4.320 0.001 0.000 0.217 37 A C 2.272 179.855 177.584 -0.002 0.000 1.186 37 A CA 2.199 54.287 52.037 0.085 0.000 0.624 37 A CB -1.502 17.545 19.000 0.078 0.000 0.822 37 A HN 0.328 nan 8.150 nan 0.000 0.444 38 G N -0.765 107.983 108.800 -0.087 0.000 2.404 38 G HA2 -0.057 3.904 3.960 0.001 0.000 0.215 38 G HA3 -0.057 3.904 3.960 0.001 0.000 0.215 38 G C 1.513 176.282 174.900 -0.218 0.000 1.174 38 G CA 1.121 46.134 45.100 -0.146 0.000 0.780 38 G HN 0.315 nan 8.290 nan 0.000 0.537 39 V N 1.521 121.193 119.914 -0.404 0.000 2.324 39 V HA -0.237 3.884 4.120 0.001 0.000 0.250 39 V C 2.527 178.574 176.094 -0.078 0.000 1.060 39 V CA 2.445 64.531 62.300 -0.356 0.000 1.042 39 V CB -0.487 31.004 31.823 -0.553 0.000 0.650 39 V HN 0.454 nan 8.190 nan 0.000 0.450 40 D N 0.283 120.693 120.400 0.017 0.000 2.092 40 D HA -0.251 4.390 4.640 0.001 0.000 0.193 40 D C 2.205 178.525 176.300 0.032 0.000 0.994 40 D CA 2.045 56.084 54.000 0.065 0.000 0.828 40 D CB -0.223 40.630 40.800 0.087 0.000 0.963 40 D HN 0.479 nan 8.370 nan 0.000 0.450 41 K N -0.223 120.181 120.400 0.008 0.000 2.057 41 K HA -0.098 4.223 4.320 0.001 0.000 0.207 41 K C 2.000 178.603 176.600 0.005 0.000 1.049 41 K CA 1.400 57.691 56.287 0.007 0.000 0.931 41 K CB -0.225 32.273 32.500 -0.003 0.000 0.714 41 K HN 0.066 nan 8.250 nan 0.000 0.440 42 V N 0.822 120.723 119.914 -0.022 0.000 2.307 42 V HA -0.219 3.902 4.120 0.001 0.000 0.245 42 V C 2.374 178.487 176.094 0.031 0.000 1.045 42 V CA 1.563 63.852 62.300 -0.017 0.000 1.024 42 V CB -0.199 31.581 31.823 -0.072 0.000 0.651 42 V HN 0.213 nan 8.190 nan 0.000 0.449 43 V N 0.579 120.515 119.914 0.037 0.000 2.252 43 V HA -0.349 3.771 4.120 0.001 0.000 0.249 43 V C 2.773 178.927 176.094 0.100 0.000 1.056 43 V CA 2.329 64.686 62.300 0.094 0.000 1.022 43 V CB -1.376 30.506 31.823 0.098 0.000 0.641 43 V HN 0.572 nan 8.190 nan 0.000 0.445 44 A N -0.113 122.749 122.820 0.070 0.000 1.884 44 A HA -0.327 3.994 4.320 0.001 0.000 0.219 44 A C 2.003 179.626 177.584 0.066 0.000 1.197 44 A CA 2.544 54.618 52.037 0.062 0.000 0.637 44 A CB -0.763 18.263 19.000 0.045 0.000 0.827 44 A HN 0.576 nan 8.150 nan 0.000 0.450 45 D N -0.623 119.814 120.400 0.061 0.000 2.103 45 D HA 0.002 4.642 4.640 0.001 0.000 0.199 45 D C 1.870 178.220 176.300 0.085 0.000 0.978 45 D CA 1.041 55.077 54.000 0.059 0.000 0.829 45 D CB -0.142 40.686 40.800 0.046 0.000 0.981 45 D HN 0.436 nan 8.370 nan 0.000 0.464 46 L N -0.164 121.136 121.223 0.128 0.000 2.513 46 L HA 0.069 4.410 4.340 0.001 0.000 0.222 46 L C 2.140 179.129 176.870 0.198 0.000 1.096 46 L CA 0.297 55.275 54.840 0.229 0.000 0.857 46 L CB -0.120 42.114 42.059 0.293 0.000 1.026 46 L HN -0.066 nan 8.230 nan 0.000 0.469 47 T N 1.210 115.875 114.554 0.185 0.000 2.665 47 T HA -0.124 4.226 4.350 0.001 0.000 0.268 47 T C -0.576 174.195 174.700 0.118 0.000 1.035 47 T CA 1.766 64.007 62.100 0.235 0.000 1.151 47 T CB -0.891 68.136 68.868 0.265 0.000 0.862 47 T HN 0.230 nan 8.240 nan 0.000 0.438 48 P HA -0.034 nan 4.420 nan 0.000 0.216 48 P C 1.608 178.835 177.300 -0.121 0.000 1.153 48 P CA 1.026 64.126 63.100 -0.001 0.000 0.848 48 P CB -0.058 31.644 31.700 0.003 0.000 0.787 49 Q N -0.522 119.157 119.800 -0.202 0.000 2.124 49 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 49 Q C 2.196 177.740 176.000 -0.761 0.000 0.977 49 Q CA 1.412 56.973 55.803 -0.402 0.000 0.850 49 Q CB -0.491 28.035 28.738 -0.352 0.000 0.901 49 Q HN 0.248 nan 8.270 nan 0.000 0.429 50 N N -0.879 117.279 118.700 -0.904 0.000 2.104 50 N HA -0.227 4.514 4.740 0.001 0.000 0.190 50 N C 1.934 177.034 175.510 -0.684 0.000 1.024 50 N CA 0.961 53.352 53.050 -1.098 0.000 0.853 50 N CB 0.186 38.013 38.487 -1.099 0.000 1.008 50 N HN 0.135 nan 8.380 nan 0.000 0.424 51 Q N 0.630 120.262 119.800 -0.281 0.000 1.993 51 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 51 Q C 2.176 178.103 176.000 -0.123 0.000 0.984 51 Q CA 1.599 57.379 55.803 -0.039 0.000 0.837 51 Q CB -0.929 27.855 28.738 0.075 0.000 0.902 51 Q HN 0.479 nan 8.270 nan 0.000 0.423 52 A N 0.976 123.698 122.820 -0.163 0.000 1.896 52 A HA -0.249 4.072 4.320 0.001 0.000 0.220 52 A C 2.319 179.791 177.584 -0.187 0.000 1.206 52 A CA 1.991 53.933 52.037 -0.158 0.000 0.647 52 A CB -1.082 17.816 19.000 -0.171 0.000 0.828 52 A HN 0.390 nan 8.150 nan 0.000 0.455 53 L N -0.845 120.202 121.223 -0.294 0.000 2.017 53 L HA -0.198 4.142 4.340 0.001 0.000 0.208 53 L C 2.666 179.421 176.870 -0.193 0.000 1.073 53 L CA 1.323 55.999 54.840 -0.273 0.000 0.745 53 L CB -0.602 41.206 42.059 -0.419 0.000 0.894 53 L HN 0.412 nan 8.230 nan 0.000 0.432 54 L N -0.114 120.995 121.223 -0.190 0.000 2.043 54 L HA -0.258 4.083 4.340 0.001 0.000 0.212 54 L C 2.398 179.230 176.870 -0.062 0.000 1.075 54 L CA 1.277 56.059 54.840 -0.096 0.000 0.752 54 L CB -0.838 41.206 42.059 -0.024 0.000 0.891 54 L HN 0.425 nan 8.230 nan 0.000 0.432 55 N N 0.469 119.136 118.700 -0.055 0.000 2.166 55 N HA -0.139 4.602 4.740 0.001 0.000 0.186 55 N C 1.912 177.396 175.510 -0.042 0.000 1.019 55 N CA 1.426 54.456 53.050 -0.034 0.000 0.856 55 N CB -0.442 38.029 38.487 -0.026 0.000 0.993 55 N HN 0.322 nan 8.380 nan 0.000 0.426 56 A N 2.125 124.905 122.820 -0.067 0.000 1.892 56 A HA -0.201 4.120 4.320 0.001 0.000 0.218 56 A C 2.268 179.818 177.584 -0.057 0.000 1.188 56 A CA 1.521 53.520 52.037 -0.064 0.000 0.631 56 A CB -0.550 18.399 19.000 -0.085 0.000 0.822 56 A HN 0.285 nan 8.150 nan 0.000 0.447 57 R N -0.278 120.170 120.500 -0.087 0.000 2.080 57 R HA -0.155 4.185 4.340 0.001 0.000 0.236 57 R C 1.808 178.090 176.300 -0.031 0.000 1.137 57 R CA 1.594 57.632 56.100 -0.104 0.000 0.943 57 R CB -0.688 29.484 30.300 -0.212 0.000 0.846 57 R HN 0.507 nan 8.270 nan 0.000 0.431 58 D N 0.681 121.070 120.400 -0.019 0.000 2.104 58 D HA -0.168 4.472 4.640 0.001 0.000 0.194 58 D C 1.844 178.165 176.300 0.035 0.000 0.994 58 D CA 1.328 55.339 54.000 0.019 0.000 0.830 58 D CB -0.337 40.475 40.800 0.019 0.000 0.959 58 D HN 0.371 nan 8.370 nan 0.000 0.452 59 E N 0.443 120.655 120.200 0.021 0.000 2.033 59 E HA -0.171 4.180 4.350 0.001 0.000 0.199 59 E C 2.476 179.104 176.600 0.046 0.000 1.011 59 E CA 0.703 57.119 56.400 0.027 0.000 0.815 59 E CB -0.288 29.416 29.700 0.007 0.000 0.755 59 E HN 0.240 nan 8.360 nan 0.000 0.451 60 L N 0.687 121.935 121.223 0.043 0.000 1.990 60 L HA -0.284 4.056 4.340 0.001 0.000 0.213 60 L C 2.814 179.756 176.870 0.119 0.000 1.072 60 L CA 1.417 56.302 54.840 0.075 0.000 0.755 60 L CB -0.481 41.649 42.059 0.118 0.000 0.889 60 L HN 0.144 nan 8.230 nan 0.000 0.432 61 Q N -0.037 119.838 119.800 0.125 0.000 2.197 61 Q HA -0.219 4.121 4.340 0.001 0.000 0.207 61 Q C 2.065 178.142 176.000 0.128 0.000 0.984 61 Q CA 2.128 58.016 55.803 0.141 0.000 0.869 61 Q CB -0.234 28.592 28.738 0.147 0.000 0.906 61 Q HN 0.503 nan 8.270 nan 0.000 0.426 62 A N -0.264 122.623 122.820 0.111 0.000 1.898 62 A HA -0.179 4.142 4.320 0.001 0.000 0.214 62 A C 1.964 179.636 177.584 0.147 0.000 1.183 62 A CA 1.251 53.353 52.037 0.108 0.000 0.622 62 A CB -0.483 18.566 19.000 0.083 0.000 0.824 62 A HN 0.525 nan 8.150 nan 0.000 0.444 63 Q N -0.234 119.665 119.800 0.165 0.000 2.096 63 Q HA -0.221 4.119 4.340 0.001 0.000 0.208 63 Q C 2.058 178.297 176.000 0.398 0.000 0.993 63 Q CA 1.911 57.879 55.803 0.274 0.000 0.862 63 Q CB -0.502 28.360 28.738 0.207 0.000 0.915 63 Q HN 0.743 nan 8.270 nan 0.000 0.416 64 I N 1.181 121.942 120.570 0.318 0.000 2.179 64 I HA -0.270 3.901 4.170 0.001 0.000 0.242 64 I C 1.741 178.050 176.117 0.321 0.000 1.088 64 I CA 1.062 62.552 61.300 0.316 0.000 1.357 64 I CB -0.414 37.723 38.000 0.229 0.000 1.051 64 I HN 0.138 nan 8.210 nan 0.000 0.409 65 D N 1.063 121.616 120.400 0.255 0.000 2.133 65 D HA -0.245 4.396 4.640 0.001 0.000 0.195 65 D C 2.051 178.465 176.300 0.190 0.000 0.997 65 D CA 1.441 55.568 54.000 0.212 0.000 0.840 65 D CB -0.264 40.602 40.800 0.109 0.000 0.947 65 D HN 0.324 nan 8.370 nan 0.000 0.452 66 K N -0.507 119.993 120.400 0.167 0.000 2.001 66 K HA -0.149 4.172 4.320 0.001 0.000 0.208 66 K C 2.145 178.794 176.600 0.081 0.000 1.048 66 K CA 0.868 57.225 56.287 0.116 0.000 0.932 66 K CB -0.275 32.305 32.500 0.133 0.000 0.715 66 K HN 0.099 nan 8.250 nan 0.000 0.437 67 W N 1.723 122.935 121.300 -0.147 0.000 2.304 67 W HA -0.311 4.349 4.660 0.001 0.000 0.315 67 W C 2.120 178.459 176.519 -0.300 0.000 1.233 67 W CA 2.148 59.253 57.345 -0.400 0.000 1.261 67 W CB -0.253 28.641 29.460 -0.944 0.000 1.150 67 W HN 0.305 nan 8.180 nan 0.000 0.494 68 H N -0.525 118.637 119.070 0.154 0.000 2.326 68 H HA -0.038 4.519 4.556 0.001 0.000 0.301 68 H C 2.312 177.591 175.328 -0.082 0.000 1.081 68 H CA 1.909 57.976 56.048 0.032 0.000 1.334 68 H CB -0.532 29.299 29.762 0.115 0.000 1.385 68 H HN 0.222 nan 8.280 nan 0.000 0.504 69 R N 0.584 121.137 120.500 0.087 0.000 2.117 69 R HA -0.144 4.196 4.340 0.001 0.000 0.243 69 R C 2.404 178.667 176.300 -0.061 0.000 1.143 69 R CA 0.970 57.081 56.100 0.019 0.000 0.968 69 R CB -0.192 30.120 30.300 0.020 0.000 0.863 69 R HN 0.101 nan 8.270 nan 0.000 0.444 70 R N 0.418 120.838 120.500 -0.133 0.000 2.249 70 R HA -0.071 4.270 4.340 0.001 0.000 0.230 70 R C 0.844 176.997 176.300 -0.246 0.000 1.121 70 R CA 1.336 57.311 56.100 -0.208 0.000 0.997 70 R CB 0.125 30.233 30.300 -0.321 0.000 0.867 70 R HN 0.052 nan 8.270 nan 0.000 0.465 71 R N -1.082 119.271 120.500 -0.245 0.000 2.637 71 R HA 0.207 4.547 4.340 0.001 0.000 0.446 71 R C -1.237 174.976 176.300 -0.144 0.000 1.024 71 R CA -0.254 55.679 56.100 -0.278 0.000 1.080 71 R CB 1.449 31.418 30.300 -0.551 0.000 1.421 71 R HN -0.054 nan 8.270 nan 0.000 0.593 72 V N 2.094 121.955 119.914 -0.088 0.000 2.686 72 V HA 0.197 4.317 4.120 0.001 0.000 0.295 72 V C 1.356 177.412 176.094 -0.063 0.000 1.057 72 V CA 0.277 62.547 62.300 -0.051 0.000 1.012 72 V CB 1.033 32.853 31.823 -0.004 0.000 1.006 72 V HN 0.606 nan 8.190 nan 0.000 0.477 73 I N 1.653 122.182 120.570 -0.069 0.000 5.830 73 I HA -0.180 3.991 4.170 0.001 0.000 0.126 73 I C -0.147 175.928 176.117 -0.069 0.000 1.817 73 I CA 0.928 62.186 61.300 -0.071 0.000 2.044 73 I CB -1.478 36.486 38.000 -0.060 0.000 3.396 73 I HN 0.705 nan 8.210 nan 0.000 0.171 74 E N 3.269 123.425 120.200 -0.073 0.000 2.195 74 E HA 0.558 4.908 4.350 0.001 0.000 0.271 74 E C -2.108 174.456 176.600 -0.060 0.000 0.923 74 E CA -1.899 54.458 56.400 -0.072 0.000 0.790 74 E CB 1.155 30.798 29.700 -0.094 0.000 1.155 74 E HN 0.270 nan 8.360 nan 0.000 0.402 75 P HA 0.044 nan 4.420 nan 0.000 0.267 75 P C -0.237 177.051 177.300 -0.021 0.000 1.209 75 P CA 0.061 63.141 63.100 -0.034 0.000 0.763 75 P CB 0.422 32.106 31.700 -0.027 0.000 0.816 76 I N 2.012 122.577 120.570 -0.008 0.000 2.556 76 I HA 0.047 4.217 4.170 0.001 0.000 0.284 76 I C 0.171 176.327 176.117 0.064 0.000 1.114 76 I CA -0.076 61.243 61.300 0.031 0.000 1.418 76 I CB 0.380 38.388 38.000 0.014 0.000 1.394 76 I HN 0.214 nan 8.210 nan 0.000 0.552 77 D N 8.238 128.708 120.400 0.118 0.000 2.374 77 D HA 0.052 4.692 4.640 0.001 0.000 0.240 77 D C 0.947 177.361 176.300 0.191 0.000 1.229 77 D CA -0.240 53.840 54.000 0.132 0.000 0.895 77 D CB 0.963 41.843 40.800 0.132 0.000 1.046 77 D HN 0.584 nan 8.370 nan 0.000 0.498 78 M N 2.214 121.898 119.600 0.142 0.000 2.213 78 M HA -0.129 4.352 4.480 0.001 0.000 0.263 78 M C 1.011 177.416 176.300 0.175 0.000 1.062 78 M CA 1.018 56.423 55.300 0.175 0.000 1.105 78 M CB -0.307 32.366 32.600 0.122 0.000 1.385 78 M HN 0.359 nan 8.290 nan 0.000 0.417 79 D N 0.475 120.951 120.400 0.127 0.000 2.117 79 D HA -0.038 4.603 4.640 0.001 0.000 0.198 79 D C 2.002 178.368 176.300 0.110 0.000 0.982 79 D CA 1.511 55.569 54.000 0.097 0.000 0.828 79 D CB -0.063 40.782 40.800 0.074 0.000 0.967 79 D HN 0.295 nan 8.370 nan 0.000 0.464 80 A N 0.261 123.179 122.820 0.164 0.000 1.873 80 A HA -0.217 4.104 4.320 0.001 0.000 0.215 80 A C 2.201 179.925 177.584 0.234 0.000 1.186 80 A CA 1.210 53.380 52.037 0.221 0.000 0.616 80 A CB -1.096 18.075 19.000 0.284 0.000 0.823 80 A HN 0.310 nan 8.150 nan 0.000 0.442 81 Y N 0.447 120.788 120.300 0.068 0.000 2.207 81 Y HA -0.207 4.344 4.550 0.001 0.000 0.287 81 Y C 2.477 178.251 175.900 -0.210 0.000 1.156 81 Y CA 2.137 60.057 58.100 -0.299 0.000 1.182 81 Y CB -0.338 37.989 38.460 -0.222 0.000 0.979 81 Y HN 0.323 nan 8.280 nan 0.000 0.521 82 R N 0.031 120.446 120.500 -0.142 0.000 2.073 82 R HA -0.182 4.159 4.340 0.001 0.000 0.229 82 R C 2.492 178.695 176.300 -0.161 0.000 1.120 82 R CA 1.563 57.546 56.100 -0.194 0.000 0.967 82 R CB -0.373 29.903 30.300 -0.041 0.000 0.862 82 R HN 0.529 nan 8.270 nan 0.000 0.436 83 Q N -0.404 119.361 119.800 -0.059 0.000 2.135 83 Q HA -0.222 4.119 4.340 0.001 0.000 0.204 83 Q C 1.765 177.728 176.000 -0.063 0.000 0.981 83 Q CA 1.816 57.600 55.803 -0.030 0.000 0.856 83 Q CB -0.177 28.585 28.738 0.040 0.000 0.902 83 Q HN 0.435 nan 8.270 nan 0.000 0.425 84 F N 0.485 120.269 119.950 -0.277 0.000 2.128 84 F HA -0.083 4.445 4.527 0.001 0.000 0.295 84 F C 1.567 177.112 175.800 -0.426 0.000 1.100 84 F CA 1.090 58.874 58.000 -0.360 0.000 1.260 84 F CB -0.124 38.512 39.000 -0.607 0.000 1.009 84 F HN 0.027 nan 8.300 nan 0.000 0.476 85 L N -0.174 120.663 121.223 -0.643 0.000 2.191 85 L HA -0.182 4.159 4.340 0.001 0.000 0.212 85 L C 2.188 178.840 176.870 -0.362 0.000 1.103 85 L CA 1.493 55.941 54.840 -0.654 0.000 0.769 85 L CB -1.143 40.496 42.059 -0.700 0.000 0.908 85 L HN 0.218 nan 8.230 nan 0.000 0.438 86 T N -0.507 113.883 114.554 -0.274 0.000 2.809 86 T HA -0.132 4.219 4.350 0.001 0.000 0.260 86 T C 1.716 176.312 174.700 -0.174 0.000 1.039 86 T CA 1.328 63.331 62.100 -0.163 0.000 1.141 86 T CB -0.115 68.691 68.868 -0.103 0.000 0.869 86 T HN 0.553 nan 8.240 nan 0.000 0.437 87 E N 2.017 122.093 120.200 -0.205 0.000 2.204 87 E HA -0.127 4.224 4.350 0.001 0.000 0.195 87 E C 2.101 178.560 176.600 -0.235 0.000 0.990 87 E CA 1.121 57.415 56.400 -0.176 0.000 0.821 87 E CB -0.708 28.931 29.700 -0.102 0.000 0.750 87 E HN 0.729 nan 8.360 nan 0.000 0.477 88 I N -3.050 117.288 120.570 -0.387 0.000 3.793 88 I HA 0.409 4.579 4.170 0.001 0.000 0.315 88 I C 1.369 177.370 176.117 -0.193 0.000 1.275 88 I CA 0.435 61.529 61.300 -0.343 0.000 1.214 88 I CB 0.315 37.971 38.000 -0.572 0.000 1.018 88 I HN 0.158 nan 8.210 nan 0.000 0.439 89 G N 1.345 110.055 108.800 -0.151 0.000 2.143 89 G HA2 -0.394 3.567 3.960 0.001 0.000 0.249 89 G HA3 -0.394 3.567 3.960 0.001 0.000 0.249 89 G C 0.544 175.426 174.900 -0.031 0.000 0.981 89 G CA 0.633 45.685 45.100 -0.080 0.000 0.665 89 G HN 0.658 nan 8.290 nan 0.000 0.528 90 Y N -0.449 119.738 120.300 -0.189 0.000 2.220 90 Y HA 0.445 4.996 4.550 0.001 0.000 0.291 90 Y C 1.410 177.237 175.900 -0.120 0.000 1.129 90 Y CA 1.114 59.125 58.100 -0.148 0.000 1.161 90 Y CB 0.184 38.523 38.460 -0.202 0.000 0.997 90 Y HN 0.294 nan 8.280 nan 0.000 0.522 91 L N 2.136 123.439 121.223 0.132 0.000 2.265 91 L HA 0.403 4.744 4.340 0.001 0.000 0.289 91 L C -1.286 175.584 176.870 -0.000 0.000 1.033 91 L CA -0.300 54.578 54.840 0.064 0.000 0.814 91 L CB 0.832 42.898 42.059 0.012 0.000 1.203 91 L HN 0.054 nan 8.230 nan 0.000 0.423 92 L N 5.860 127.083 121.223 0.001 0.000 2.334 92 L HA 0.608 4.949 4.340 0.001 0.000 0.272 92 L C -1.856 175.018 176.870 0.006 0.000 1.020 92 L CA -2.023 52.812 54.840 -0.007 0.000 0.812 92 L CB 1.123 43.175 42.059 -0.012 0.000 1.264 92 L HN 0.479 nan 8.230 nan 0.000 0.439 93 P HA -0.026 nan 4.420 nan 0.000 0.264 93 P C -0.824 176.493 177.300 0.029 0.000 1.183 93 P CA -0.086 63.023 63.100 0.015 0.000 0.763 93 P CB 0.409 32.114 31.700 0.009 0.000 0.807 94 E N 4.786 125.012 120.200 0.043 0.000 2.290 94 E HA 0.169 4.519 4.350 0.001 0.000 0.277 94 E C -1.854 174.784 176.600 0.064 0.000 1.035 94 E CA -1.798 54.641 56.400 0.065 0.000 0.873 94 E CB 0.112 29.856 29.700 0.074 0.000 1.029 94 E HN 0.292 nan 8.360 nan 0.000 0.419 95 P HA 0.135 nan 4.420 nan 0.000 0.275 95 P C -0.746 176.624 177.300 0.116 0.000 1.266 95 P CA -0.443 62.703 63.100 0.076 0.000 0.793 95 P CB 0.498 32.232 31.700 0.056 0.000 1.074 96 D N 0.215 120.679 120.400 0.106 0.000 2.419 96 D HA 0.023 4.664 4.640 0.001 0.000 0.236 96 D C -0.030 176.399 176.300 0.215 0.000 1.165 96 D CA 0.502 54.575 54.000 0.121 0.000 0.882 96 D CB -0.048 40.807 40.800 0.092 0.000 1.201 96 D HN 0.241 nan 8.370 nan 0.000 0.443 97 D N 0.441 120.928 120.400 0.146 0.000 2.472 97 D HA 0.230 4.871 4.640 0.001 0.000 0.237 97 D C 0.094 176.512 176.300 0.196 0.000 1.141 97 D CA 0.588 54.648 54.000 0.101 0.000 0.875 97 D CB 0.120 40.926 40.800 0.010 0.000 1.192 97 D HN 0.277 nan 8.370 nan 0.000 0.450 98 F N -2.128 117.837 119.950 0.025 0.000 2.741 98 F HA 0.569 5.096 4.527 0.001 0.000 0.313 98 F C -1.027 174.801 175.800 0.047 0.000 1.153 98 F CA -0.999 57.021 58.000 0.033 0.000 0.931 98 F CB 1.178 40.199 39.000 0.035 0.000 1.335 98 F HN 0.007 nan 8.300 nan 0.000 0.460 99 T N 3.047 117.643 114.554 0.069 0.000 2.841 99 T HA 0.577 4.927 4.350 0.001 0.000 0.283 99 T C -0.022 174.827 174.700 0.249 0.000 1.000 99 T CA -0.655 61.457 62.100 0.021 0.000 0.977 99 T CB 1.349 70.240 68.868 0.037 0.000 0.979 99 T HN 0.833 nan 8.240 nan 0.000 0.446 100 I N 1.041 121.757 120.570 0.243 0.000 2.892 100 I HA 0.292 4.462 4.170 0.001 0.000 0.287 100 I C 1.009 177.210 176.117 0.141 0.000 1.205 100 I CA -0.130 61.327 61.300 0.262 0.000 1.409 100 I CB 0.516 38.641 38.000 0.209 0.000 1.367 100 I HN 0.727 nan 8.210 nan 0.000 0.597 101 T N -0.489 114.132 114.554 0.111 0.000 3.091 101 T HA 0.174 4.525 4.350 0.001 0.000 0.277 101 T C 0.543 175.270 174.700 0.045 0.000 0.996 101 T CA -0.308 61.834 62.100 0.070 0.000 0.897 101 T CB -0.694 68.214 68.868 0.066 0.000 1.109 101 T HN 0.737 nan 8.240 nan 0.000 0.534 102 T N 4.007 118.585 114.554 0.039 0.000 2.871 102 T HA 0.385 4.735 4.350 0.001 0.000 0.296 102 T C 0.491 175.207 174.700 0.025 0.000 0.998 102 T CA -0.023 62.094 62.100 0.028 0.000 1.162 102 T CB 0.386 69.264 68.868 0.016 0.000 0.947 102 T HN 0.672 nan 8.240 nan 0.000 0.536 103 S N 1.530 117.244 115.700 0.024 0.000 2.709 103 S HA 0.798 5.269 4.470 0.001 0.000 0.302 103 S C 0.877 175.491 174.600 0.024 0.000 1.127 103 S CA -0.375 57.840 58.200 0.024 0.000 0.905 103 S CB 1.700 64.911 63.200 0.017 0.000 1.151 103 S HN 1.474 nan 8.310 nan 0.000 0.510 104 G N -0.641 108.175 108.800 0.027 0.000 2.137 104 G HA2 -0.172 3.788 3.960 0.001 0.000 0.237 104 G HA3 -0.172 3.788 3.960 0.001 0.000 0.237 104 G C -0.202 174.737 174.900 0.065 0.000 1.002 104 G CA -0.056 45.057 45.100 0.023 0.000 0.702 104 G HN 1.239 nan 8.290 nan 0.000 0.515 105 V N 0.650 120.622 119.914 0.097 0.000 2.407 105 V HA 0.379 4.500 4.120 0.001 0.000 0.278 105 V C 0.600 176.768 176.094 0.122 0.000 1.037 105 V CA -0.811 61.592 62.300 0.172 0.000 0.900 105 V CB 1.368 33.275 31.823 0.139 0.000 0.983 105 V HN 0.338 nan 8.190 nan 0.000 0.459 106 D N 3.222 123.716 120.400 0.157 0.000 2.423 106 D HA 0.279 4.920 4.640 0.001 0.000 0.238 106 D C 1.273 177.585 176.300 0.021 0.000 1.142 106 D CA 0.652 54.697 54.000 0.075 0.000 0.884 106 D CB 1.092 41.931 40.800 0.065 0.000 1.199 106 D HN 0.679 nan 8.370 nan 0.000 0.438 107 A N 2.449 125.284 122.820 0.027 0.000 1.986 107 A HA -0.269 4.052 4.320 0.001 0.000 0.220 107 A C 1.823 179.410 177.584 0.005 0.000 1.171 107 A CA 1.500 53.550 52.037 0.020 0.000 0.640 107 A CB -0.471 18.548 19.000 0.031 0.000 0.811 107 A HN 0.624 nan 8.150 nan 0.000 0.451 108 E N -0.249 119.947 120.200 -0.007 0.000 2.219 108 E HA -0.154 4.196 4.350 0.001 0.000 0.198 108 E C 1.657 178.251 176.600 -0.011 0.000 0.998 108 E CA 1.373 57.762 56.400 -0.018 0.000 0.818 108 E CB -0.239 29.446 29.700 -0.026 0.000 0.741 108 E HN 0.789 nan 8.360 nan 0.000 0.477 109 I N -0.754 119.806 120.570 -0.018 0.000 2.685 109 I HA -0.115 4.055 4.170 0.001 0.000 0.251 109 I C 2.368 178.507 176.117 0.036 0.000 1.102 109 I CA 1.225 62.542 61.300 0.029 0.000 1.442 109 I CB -0.458 37.532 38.000 -0.016 0.000 1.194 109 I HN 0.156 nan 8.210 nan 0.000 0.448 110 T N -2.162 112.404 114.554 0.019 0.000 2.867 110 T HA -0.066 4.285 4.350 0.001 0.000 0.268 110 T C 1.574 176.285 174.700 0.018 0.000 1.057 110 T CA 1.902 64.013 62.100 0.018 0.000 1.136 110 T CB -0.302 68.576 68.868 0.017 0.000 0.874 110 T HN 0.193 nan 8.240 nan 0.000 0.466 111 T N 0.726 115.286 114.554 0.011 0.000 3.058 111 T HA 0.203 4.554 4.350 0.001 0.000 0.247 111 T C 0.548 175.243 174.700 -0.008 0.000 0.987 111 T CA 0.198 62.301 62.100 0.005 0.000 1.062 111 T CB 0.160 69.032 68.868 0.007 0.000 1.048 111 T HN 0.365 nan 8.240 nan 0.000 0.468 112 T N 3.207 117.749 114.554 -0.020 0.000 2.761 112 T HA 0.623 4.973 4.350 0.001 0.000 0.296 112 T C -0.104 174.546 174.700 -0.084 0.000 0.934 112 T CA -0.483 61.584 62.100 -0.054 0.000 1.091 112 T CB 1.010 69.839 68.868 -0.065 0.000 0.896 112 T HN 0.311 nan 8.240 nan 0.000 0.515 113 A N 3.222 125.983 122.820 -0.099 0.000 2.269 113 A HA 0.769 5.089 4.320 0.001 0.000 0.302 113 A C 0.686 177.994 177.584 -0.460 0.000 1.266 113 A CA -0.273 51.687 52.037 -0.127 0.000 0.894 113 A CB 0.077 19.101 19.000 0.042 0.000 1.147 113 A HN 1.077 nan 8.150 nan 0.000 0.537 114 G N 2.028 110.395 108.800 -0.723 0.000 2.548 114 G HA2 0.634 4.594 3.960 0.001 0.000 0.301 114 G HA3 0.634 4.594 3.960 0.001 0.000 0.301 114 G C -3.543 170.814 174.900 -0.904 0.000 1.349 114 G CA -0.991 43.334 45.100 -1.292 0.000 0.792 114 G HN 0.396 nan 8.290 nan 0.000 0.481 115 P HA 0.252 nan 4.420 nan 0.000 0.269 115 P C -0.793 176.475 177.300 -0.053 0.000 1.215 115 P CA 0.047 63.086 63.100 -0.101 0.000 0.780 115 P CB 0.784 32.506 31.700 0.037 0.000 0.898 116 Q N 1.549 121.386 119.800 0.061 0.000 2.330 116 Q HA 0.561 4.902 4.340 0.001 0.000 0.269 116 Q C -1.696 174.251 176.000 -0.088 0.000 1.022 116 Q CA -0.905 54.893 55.803 -0.009 0.000 0.796 116 Q CB 0.998 29.750 28.738 0.023 0.000 1.271 116 Q HN 0.251 nan 8.270 nan 0.000 0.450 117 L N 4.339 125.489 121.223 -0.123 0.000 2.322 117 L HA 0.698 5.039 4.340 0.001 0.000 0.279 117 L C -1.512 175.200 176.870 -0.264 0.000 1.036 117 L CA -0.466 54.286 54.840 -0.146 0.000 0.807 117 L CB 1.951 43.974 42.059 -0.060 0.000 1.226 117 L HN 0.532 nan 8.230 nan 0.000 0.433 118 V N 4.625 124.352 119.914 -0.312 0.000 2.823 118 V HA 0.808 4.928 4.120 0.001 0.000 0.312 118 V C -0.904 175.102 176.094 -0.147 0.000 1.072 118 V CA -0.724 61.366 62.300 -0.350 0.000 0.937 118 V CB 2.036 33.451 31.823 -0.680 0.000 1.013 118 V HN 0.611 nan 8.190 nan 0.000 0.430 119 V N 4.320 124.185 119.914 -0.082 0.000 2.950 119 V HA 0.467 4.588 4.120 0.001 0.000 0.295 119 V C -2.667 173.434 176.094 0.012 0.000 1.297 119 V CA -1.560 60.744 62.300 0.008 0.000 0.962 119 V CB 3.528 35.372 31.823 0.035 0.000 1.081 119 V HN 0.814 nan 8.190 nan 0.000 0.432 120 P HA 0.108 nan 4.420 nan 0.000 0.271 120 P C 0.585 177.836 177.300 -0.082 0.000 1.226 120 P CA 0.516 63.600 63.100 -0.027 0.000 0.765 120 P CB 1.560 33.260 31.700 -0.001 0.000 0.835 121 V N 4.097 123.876 119.914 -0.226 0.000 3.141 121 V HA -0.144 3.977 4.120 0.001 0.000 0.265 121 V C 1.817 177.766 176.094 -0.242 0.000 1.126 121 V CA 1.311 63.443 62.300 -0.279 0.000 1.141 121 V CB -0.795 30.622 31.823 -0.677 0.000 0.743 121 V HN 0.352 nan 8.190 nan 0.000 0.492 122 L N 0.242 121.318 121.223 -0.245 0.000 2.418 122 L HA 0.239 4.579 4.340 0.001 0.000 0.218 122 L C 1.187 177.959 176.870 -0.164 0.000 1.125 122 L CA 0.856 55.570 54.840 -0.209 0.000 0.835 122 L CB -0.548 41.375 42.059 -0.226 0.000 0.953 122 L HN 0.304 nan 8.230 nan 0.000 0.454 123 N N -0.095 118.516 118.700 -0.149 0.000 2.469 123 N HA 0.172 4.912 4.740 0.001 0.000 0.239 123 N C 0.976 176.448 175.510 -0.063 0.000 1.053 123 N CA 0.574 53.521 53.050 -0.172 0.000 0.937 123 N CB 1.535 39.839 38.487 -0.305 0.000 1.163 123 N HN 0.150 nan 8.380 nan 0.000 0.509 124 A N 4.617 127.403 122.820 -0.057 0.000 1.902 124 A HA -0.150 4.171 4.320 0.001 0.000 0.217 124 A C 2.163 179.779 177.584 0.054 0.000 1.181 124 A CA 0.990 53.030 52.037 0.006 0.000 0.623 124 A CB -0.257 18.742 19.000 -0.003 0.000 0.818 124 A HN 0.685 nan 8.150 nan 0.000 0.443 125 R N -1.063 119.464 120.500 0.046 0.000 2.092 125 R HA -0.049 4.292 4.340 0.001 0.000 0.231 125 R C 1.857 178.330 176.300 0.287 0.000 1.119 125 R CA 1.509 57.691 56.100 0.136 0.000 0.970 125 R CB -0.464 29.909 30.300 0.122 0.000 0.864 125 R HN 0.632 nan 8.270 nan 0.000 0.440 126 F N 0.260 120.214 119.950 0.007 0.000 2.149 126 F HA -0.051 4.477 4.527 0.001 0.000 0.294 126 F C 2.637 178.447 175.800 0.017 0.000 1.095 126 F CA 0.367 58.373 58.000 0.010 0.000 1.276 126 F CB -0.180 38.819 39.000 -0.002 0.000 1.023 126 F HN 0.163 nan 8.300 nan 0.000 0.480 127 A N 0.303 123.253 122.820 0.217 0.000 1.940 127 A HA -0.216 4.104 4.320 0.001 0.000 0.219 127 A C 2.150 179.813 177.584 0.131 0.000 1.176 127 A CA 1.326 53.450 52.037 0.145 0.000 0.631 127 A CB -1.006 18.064 19.000 0.116 0.000 0.814 127 A HN 0.469 nan 8.150 nan 0.000 0.446 128 L N -0.584 120.713 121.223 0.122 0.000 2.109 128 L HA -0.129 4.212 4.340 0.001 0.000 0.207 128 L C 2.233 179.159 176.870 0.092 0.000 1.086 128 L CA 1.441 56.341 54.840 0.100 0.000 0.760 128 L CB -0.450 41.661 42.059 0.087 0.000 0.910 128 L HN 0.544 nan 8.230 nan 0.000 0.437 129 N N -0.622 118.136 118.700 0.098 0.000 2.331 129 N HA -0.128 4.612 4.740 0.001 0.000 0.180 129 N C 1.695 177.235 175.510 0.050 0.000 1.019 129 N CA 0.948 54.039 53.050 0.069 0.000 0.881 129 N CB 0.271 38.788 38.487 0.051 0.000 0.972 129 N HN 0.394 nan 8.380 nan 0.000 0.435 130 A N 1.266 124.119 122.820 0.056 0.000 1.835 130 A HA 0.115 4.436 4.320 0.001 0.000 0.213 130 A C 2.340 179.962 177.584 0.064 0.000 1.210 130 A CA 1.367 53.429 52.037 0.042 0.000 0.605 130 A CB -1.060 17.967 19.000 0.045 0.000 0.860 130 A HN 0.295 nan 8.150 nan 0.000 0.447 131 A N 0.402 123.277 122.820 0.092 0.000 1.985 131 A HA -0.281 4.039 4.320 0.001 0.000 0.223 131 A C 1.672 179.315 177.584 0.098 0.000 1.189 131 A CA 2.294 54.393 52.037 0.104 0.000 0.658 131 A CB -0.777 18.291 19.000 0.112 0.000 0.820 131 A HN 0.552 nan 8.150 nan 0.000 0.464 132 N N -0.553 118.202 118.700 0.092 0.000 2.398 132 N HA 0.197 4.937 4.740 0.001 0.000 0.188 132 N C 1.243 176.822 175.510 0.114 0.000 1.122 132 N CA 0.864 53.979 53.050 0.109 0.000 0.866 132 N CB -0.206 38.336 38.487 0.091 0.000 0.970 132 N HN 0.491 nan 8.380 nan 0.000 0.462 133 A N 0.288 123.151 122.820 0.072 0.000 2.238 133 A HA 0.037 4.358 4.320 0.001 0.000 0.208 133 A C 2.102 179.680 177.584 -0.010 0.000 1.177 133 A CA 0.192 52.253 52.037 0.040 0.000 0.804 133 A CB -0.242 18.765 19.000 0.011 0.000 0.823 133 A HN 0.105 nan 8.150 nan 0.000 0.482 134 R N -0.946 119.538 120.500 -0.026 0.000 2.154 134 R HA -0.168 4.172 4.340 0.001 0.000 0.248 134 R C -0.541 175.426 176.300 -0.556 0.000 1.155 134 R CA 1.364 57.313 56.100 -0.252 0.000 0.979 134 R CB -0.172 30.041 30.300 -0.144 0.000 0.869 134 R HN 0.598 nan 8.270 nan 0.000 0.452 135 W N -1.187 120.135 121.300 0.038 0.000 2.600 135 W HA 0.617 5.278 4.660 0.001 0.000 0.325 135 W C -0.340 176.195 176.519 0.028 0.000 1.034 135 W CA -0.672 56.697 57.345 0.040 0.000 1.226 135 W CB 2.009 31.493 29.460 0.041 0.000 1.379 135 W HN 0.070 nan 8.180 nan 0.000 0.466 136 G N 0.870 109.790 108.800 0.199 0.000 2.719 136 G HA2 0.426 4.386 3.960 0.001 0.000 0.298 136 G HA3 0.426 4.386 3.960 0.001 0.000 0.298 136 G C -1.421 173.545 174.900 0.109 0.000 1.411 136 G CA -0.838 44.332 45.100 0.115 0.000 0.991 136 G HN 0.306 nan 8.290 nan 0.000 0.509 137 S N 1.304 117.059 115.700 0.091 0.000 2.481 137 S HA 0.114 4.584 4.470 0.001 0.000 0.276 137 S C 1.495 176.152 174.600 0.094 0.000 1.247 137 S CA -0.626 57.623 58.200 0.082 0.000 1.053 137 S CB 0.768 64.016 63.200 0.080 0.000 0.925 137 S HN 0.593 nan 8.310 nan 0.000 0.491 138 L N 7.229 128.509 121.223 0.095 0.000 2.083 138 L HA 0.028 4.368 4.340 0.001 0.000 0.209 138 L C 1.508 178.547 176.870 0.283 0.000 1.083 138 L CA 1.924 56.842 54.840 0.130 0.000 0.752 138 L CB -1.088 41.023 42.059 0.087 0.000 0.899 138 L HN 0.831 nan 8.230 nan 0.000 0.433 139 Y N 0.375 120.712 120.300 0.062 0.000 2.053 139 Y HA -0.285 4.266 4.550 0.001 0.000 0.277 139 Y C 2.584 178.541 175.900 0.095 0.000 1.159 139 Y CA 1.452 59.604 58.100 0.087 0.000 1.125 139 Y CB -1.230 37.280 38.460 0.085 0.000 0.969 139 Y HN 0.294 nan 8.280 nan 0.000 0.492 140 D N -0.529 120.010 120.400 0.233 0.000 2.097 140 D HA -0.148 4.493 4.640 0.001 0.000 0.195 140 D C 2.329 178.713 176.300 0.141 0.000 0.989 140 D CA 1.549 55.646 54.000 0.161 0.000 0.827 140 D CB -0.744 40.120 40.800 0.108 0.000 0.966 140 D HN 0.283 nan 8.370 nan 0.000 0.456 141 A N 0.511 123.391 122.820 0.101 0.000 1.940 141 A HA -0.166 4.154 4.320 0.001 0.000 0.219 141 A C 2.095 179.699 177.584 0.032 0.000 1.176 141 A CA 1.107 53.175 52.037 0.052 0.000 0.631 141 A CB -0.502 18.512 19.000 0.024 0.000 0.814 141 A HN 0.142 nan 8.150 nan 0.000 0.446 142 L N -2.507 118.744 121.223 0.048 0.000 2.095 142 L HA 0.015 4.355 4.340 0.001 0.000 0.204 142 L C 2.263 179.133 176.870 0.000 0.000 1.080 142 L CA 1.594 56.419 54.840 -0.023 0.000 0.759 142 L CB -1.356 40.681 42.059 -0.036 0.000 0.914 142 L HN 0.580 nan 8.230 nan 0.000 0.439 143 Y N 0.333 120.609 120.300 -0.040 0.000 2.163 143 Y HA -0.111 4.439 4.550 0.001 0.000 0.288 143 Y C 2.190 178.071 175.900 -0.032 0.000 1.136 143 Y CA 1.702 59.779 58.100 -0.038 0.000 1.147 143 Y CB -0.348 38.121 38.460 0.014 0.000 0.987 143 Y HN 0.170 nan 8.280 nan 0.000 0.509 144 G N -0.633 108.267 108.800 0.167 0.000 2.882 144 G HA2 0.076 4.036 3.960 0.001 0.000 0.206 144 G HA3 0.076 4.036 3.960 0.001 0.000 0.206 144 G C 0.048 174.944 174.900 -0.007 0.000 1.155 144 G CA 0.806 45.956 45.100 0.083 0.000 0.800 144 G HN 0.293 nan 8.290 nan 0.000 0.524 145 T N -0.354 114.166 114.554 -0.055 0.000 2.883 145 T HA 0.316 4.666 4.350 0.001 0.000 0.301 145 T C -0.063 174.573 174.700 -0.107 0.000 1.158 145 T CA -0.400 61.659 62.100 -0.068 0.000 1.007 145 T CB 1.827 70.657 68.868 -0.063 0.000 1.186 145 T HN 0.137 nan 8.240 nan 0.000 0.499 146 D N 1.361 121.709 120.400 -0.086 0.000 2.328 146 D HA 0.005 4.646 4.640 0.001 0.000 0.226 146 D C 1.689 177.919 176.300 -0.117 0.000 1.066 146 D CA 0.181 54.126 54.000 -0.092 0.000 0.861 146 D CB -0.331 40.439 40.800 -0.050 0.000 0.912 146 D HN 0.245 nan 8.370 nan 0.000 0.521 147 V N 0.723 120.541 119.914 -0.159 0.000 2.332 147 V HA -0.173 3.948 4.120 0.001 0.000 0.248 147 V C 1.309 177.230 176.094 -0.287 0.000 1.055 147 V CA 0.887 63.046 62.300 -0.235 0.000 1.038 147 V CB -0.467 31.146 31.823 -0.350 0.000 0.651 147 V HN 0.298 nan 8.190 nan 0.000 0.450 148 I N 2.902 123.307 120.570 -0.275 0.000 2.287 148 I HA 0.318 4.489 4.170 0.001 0.000 0.290 148 I C -1.922 174.098 176.117 -0.162 0.000 1.069 148 I CA -2.652 58.513 61.300 -0.225 0.000 1.237 148 I CB 0.212 38.076 38.000 -0.227 0.000 1.418 148 I HN 0.192 nan 8.210 nan 0.000 0.481 149 P HA 0.302 nan 4.420 nan 0.000 0.293 149 P C -0.409 176.834 177.300 -0.095 0.000 1.298 149 P CA -0.194 62.851 63.100 -0.092 0.000 0.757 149 P CB 1.263 32.926 31.700 -0.062 0.000 1.262 155 E N 1.906 122.025 120.200 -0.136 0.000 2.324 155 E HA 0.195 4.546 4.350 0.001 0.000 0.271 155 E C -0.587 175.908 176.600 -0.175 0.000 1.028 155 E CA -0.244 56.074 56.400 -0.137 0.000 0.890 155 E CB 0.557 30.208 29.700 -0.081 0.000 1.004 155 E HN 0.534 nan 8.360 nan 0.000 0.431 156 K N 2.363 122.625 120.400 -0.229 0.000 2.448 156 K HA 0.373 4.693 4.320 0.001 0.000 0.278 156 K C 0.308 176.880 176.600 -0.047 0.000 1.009 156 K CA -0.180 55.990 56.287 -0.196 0.000 0.995 156 K CB 0.671 33.032 32.500 -0.232 0.000 0.917 156 K HN 0.671 nan 8.250 nan 0.000 0.481 157 G N 1.948 110.765 108.800 0.028 0.000 3.222 157 G HA2 0.369 4.329 3.960 0.001 0.000 0.263 157 G HA3 0.369 4.329 3.960 0.001 0.000 0.263 157 G C -1.864 173.084 174.900 0.080 0.000 1.312 157 G CA -0.928 44.197 45.100 0.041 0.000 0.934 157 G HN 0.416 nan 8.290 nan 0.000 0.577 158 P HA 0.200 nan 4.420 nan 0.000 0.234 158 P C 0.003 177.356 177.300 0.089 0.000 1.167 158 P CA 0.932 64.075 63.100 0.071 0.000 0.763 158 P CB 0.379 32.110 31.700 0.051 0.000 0.835 159 T N -1.206 113.412 114.554 0.106 0.000 2.912 159 T HA 0.203 4.553 4.350 0.001 0.000 0.299 159 T C -1.169 173.640 174.700 0.181 0.000 1.052 159 T CA -0.619 61.557 62.100 0.127 0.000 0.996 159 T CB 1.095 70.022 68.868 0.097 0.000 1.070 159 T HN -0.142 nan 8.240 nan 0.000 0.465 160 Y N 3.400 123.744 120.300 0.073 0.000 2.904 160 Y HA 0.110 4.660 4.550 0.001 0.000 0.336 160 Y C 0.438 176.413 175.900 0.126 0.000 1.263 160 Y CA 0.529 58.683 58.100 0.091 0.000 1.547 160 Y CB 0.361 38.821 38.460 0.001 0.000 1.272 160 Y HN 0.571 nan 8.280 nan 0.000 0.596 161 N N 5.212 123.659 118.700 -0.421 0.000 2.399 161 N HA 0.191 4.932 4.740 0.001 0.000 0.280 161 N C -0.213 174.979 175.510 -0.531 0.000 1.008 161 N CA -0.590 52.279 53.050 -0.302 0.000 0.894 161 N CB 1.482 39.875 38.487 -0.158 0.000 1.273 161 N HN 0.761 nan 8.380 nan 0.000 0.486 162 K N 1.836 122.092 120.400 -0.239 0.000 2.366 162 K HA 0.065 4.385 4.320 0.001 0.000 0.198 162 K C 1.298 177.859 176.600 -0.067 0.000 1.044 162 K CA 0.341 56.575 56.287 -0.089 0.000 0.973 162 K CB 0.330 32.901 32.500 0.120 0.000 0.767 162 K HN 0.348 nan 8.250 nan 0.000 0.475 163 V N 1.077 120.940 119.914 -0.085 0.000 2.255 163 V HA -0.299 3.821 4.120 0.001 0.000 0.247 163 V C 2.365 178.401 176.094 -0.096 0.000 1.051 163 V CA 1.989 64.246 62.300 -0.070 0.000 1.018 163 V CB -0.412 31.368 31.823 -0.071 0.000 0.641 163 V HN 0.332 nan 8.190 nan 0.000 0.445 164 R N 0.034 120.441 120.500 -0.155 0.000 2.062 164 R HA -0.045 4.296 4.340 0.001 0.000 0.229 164 R C 2.416 178.658 176.300 -0.097 0.000 1.128 164 R CA 1.503 57.500 56.100 -0.171 0.000 0.960 164 R CB -0.947 29.177 30.300 -0.292 0.000 0.855 164 R HN 0.492 nan 8.270 nan 0.000 0.432 165 G N 1.114 109.824 108.800 -0.151 0.000 2.599 165 G HA2 -0.338 3.622 3.960 0.001 0.000 0.219 165 G HA3 -0.338 3.622 3.960 0.001 0.000 0.219 165 G C 0.889 175.804 174.900 0.025 0.000 1.193 165 G CA 1.490 46.598 45.100 0.014 0.000 0.778 165 G HN 0.396 nan 8.290 nan 0.000 0.589 166 D N 0.419 120.831 120.400 0.020 0.000 2.219 166 D HA -0.026 4.614 4.640 0.001 0.000 0.205 166 D C 2.488 178.786 176.300 -0.002 0.000 0.970 166 D CA 0.732 54.746 54.000 0.023 0.000 0.851 166 D CB -0.104 40.720 40.800 0.041 0.000 0.943 166 D HN 0.375 nan 8.370 nan 0.000 0.488 167 K N 0.453 120.838 120.400 -0.027 0.000 2.062 167 K HA -0.030 4.290 4.320 0.001 0.000 0.205 167 K C 2.220 178.808 176.600 -0.019 0.000 1.051 167 K CA 0.472 56.747 56.287 -0.021 0.000 0.941 167 K CB -0.127 32.340 32.500 -0.054 0.000 0.719 167 K HN 0.019 nan 8.250 nan 0.000 0.440 168 V N 2.186 122.051 119.914 -0.081 0.000 2.332 168 V HA -0.256 3.864 4.120 0.001 0.000 0.248 168 V C 2.253 178.238 176.094 -0.182 0.000 1.055 168 V CA 1.643 63.861 62.300 -0.136 0.000 1.038 168 V CB -0.460 31.252 31.823 -0.185 0.000 0.651 168 V HN 0.249 nan 8.190 nan 0.000 0.450 169 I N 0.567 120.997 120.570 -0.234 0.000 2.142 169 I HA -0.212 3.958 4.170 0.001 0.000 0.240 169 I C 2.577 178.750 176.117 0.092 0.000 1.078 169 I CA 1.639 62.868 61.300 -0.117 0.000 1.343 169 I CB -0.596 37.390 38.000 -0.023 0.000 1.046 169 I HN 0.272 nan 8.210 nan 0.000 0.405 170 A N -0.650 122.226 122.820 0.094 0.000 2.172 170 A HA -0.217 4.103 4.320 0.001 0.000 0.216 170 A C 2.150 179.823 177.584 0.149 0.000 1.154 170 A CA 1.076 53.184 52.037 0.119 0.000 0.701 170 A CB -0.741 18.315 19.000 0.094 0.000 0.789 170 A HN 0.531 nan 8.150 nan 0.000 0.465 171 Y N 0.191 120.514 120.300 0.038 0.000 2.153 171 Y HA 0.099 4.650 4.550 0.001 0.000 0.289 171 Y C 2.643 178.606 175.900 0.106 0.000 1.119 171 Y CA 1.034 59.163 58.100 0.048 0.000 1.116 171 Y CB -0.601 37.864 38.460 0.008 0.000 1.004 171 Y HN 0.283 nan 8.280 nan 0.000 0.501 172 A N 0.960 123.938 122.820 0.264 0.000 1.971 172 A HA -0.274 4.047 4.320 0.001 0.000 0.222 172 A C 2.225 179.941 177.584 0.219 0.000 1.182 172 A CA 2.174 54.382 52.037 0.285 0.000 0.649 172 A CB -0.559 18.712 19.000 0.451 0.000 0.818 172 A HN 0.467 nan 8.150 nan 0.000 0.458 173 R N -0.828 119.767 120.500 0.159 0.000 2.119 173 R HA 0.005 4.346 4.340 0.001 0.000 0.222 173 R C 2.136 178.451 176.300 0.026 0.000 1.088 173 R CA 1.309 57.480 56.100 0.118 0.000 0.984 173 R CB -0.430 29.976 30.300 0.176 0.000 0.884 173 R HN 0.686 nan 8.270 nan 0.000 0.447 174 K N 0.279 120.675 120.400 -0.008 0.000 2.062 174 K HA -0.107 4.214 4.320 0.001 0.000 0.205 174 K C 1.961 178.490 176.600 -0.118 0.000 1.051 174 K CA 0.847 57.096 56.287 -0.064 0.000 0.941 174 K CB -0.194 32.258 32.500 -0.080 0.000 0.719 174 K HN -0.013 nan 8.250 nan 0.000 0.440 175 F N 1.948 121.735 119.950 -0.272 0.000 2.063 175 F HA -0.274 4.254 4.527 0.001 0.000 0.298 175 F C 1.544 177.167 175.800 -0.296 0.000 1.109 175 F CA 1.641 59.477 58.000 -0.273 0.000 1.212 175 F CB -0.446 38.396 39.000 -0.264 0.000 0.973 175 F HN -0.036 nan 8.300 nan 0.000 0.480 176 L N 0.158 120.978 121.223 -0.672 0.000 2.012 176 L HA -0.251 4.090 4.340 0.001 0.000 0.210 176 L C 2.264 178.599 176.870 -0.892 0.000 1.073 176 L CA 1.685 55.903 54.840 -1.037 0.000 0.748 176 L CB -0.982 40.368 42.059 -1.181 0.000 0.891 176 L HN 0.098 nan 8.230 nan 0.000 0.431 177 D N -0.257 119.843 120.400 -0.500 0.000 2.221 177 D HA -0.175 4.466 4.640 0.001 0.000 0.204 177 D C 1.795 177.976 176.300 -0.198 0.000 0.982 177 D CA 1.081 54.977 54.000 -0.175 0.000 0.857 177 D CB -0.106 40.685 40.800 -0.015 0.000 0.934 177 D HN 0.337 nan 8.370 nan 0.000 0.475 178 D N -0.806 119.421 120.400 -0.288 0.000 2.183 178 D HA 0.036 4.676 4.640 0.001 0.000 0.205 178 D C 1.720 177.847 176.300 -0.288 0.000 0.962 178 D CA 0.614 54.482 54.000 -0.220 0.000 0.849 178 D CB 0.178 40.876 40.800 -0.169 0.000 0.978 178 D HN 0.044 nan 8.370 nan 0.000 0.488 179 S N -0.468 114.920 115.700 -0.520 0.000 2.503 179 S HA 0.098 4.568 4.470 0.001 0.000 0.215 179 S C 0.914 175.270 174.600 -0.407 0.000 1.003 179 S CA -0.066 57.809 58.200 -0.540 0.000 0.910 179 S CB 1.466 64.082 63.200 -0.974 0.000 0.790 179 S HN -0.030 nan 8.310 nan 0.000 0.514 180 V N 2.831 122.519 119.914 -0.376 0.000 2.666 180 V HA 0.294 4.415 4.120 0.001 0.000 0.269 180 V C -3.020 173.063 176.094 -0.019 0.000 0.926 180 V CA -1.615 60.566 62.300 -0.199 0.000 1.035 180 V CB 0.722 32.398 31.823 -0.244 0.000 1.099 180 V HN 0.081 nan 8.190 nan 0.000 0.519 181 P HA 0.455 nan 4.420 nan 0.000 0.276 181 P C -0.420 176.955 177.300 0.125 0.000 1.252 181 P CA -0.235 62.909 63.100 0.073 0.000 0.802 181 P CB 1.266 32.972 31.700 0.009 0.000 1.035 182 L N 0.281 121.578 121.223 0.122 0.000 2.344 182 L HA 0.277 4.617 4.340 0.001 0.000 0.272 182 L C 1.692 178.570 176.870 0.014 0.000 1.035 182 L CA -0.489 54.381 54.840 0.050 0.000 0.807 182 L CB 0.981 43.032 42.059 -0.014 0.000 1.237 182 L HN 0.337 nan 8.230 nan 0.000 0.442 183 S N 0.428 116.124 115.700 -0.007 0.000 2.372 183 S HA -0.141 4.329 4.470 0.001 0.000 0.227 183 S C 0.568 175.162 174.600 -0.011 0.000 1.044 183 S CA 1.520 59.715 58.200 -0.009 0.000 1.050 183 S CB -0.281 62.908 63.200 -0.018 0.000 0.901 183 S HN 0.833 nan 8.310 nan 0.000 0.447 184 S N -1.469 114.218 115.700 -0.020 0.000 2.578 184 S HA 0.608 5.078 4.470 0.001 0.000 0.272 184 S C -0.465 174.117 174.600 -0.030 0.000 1.145 184 S CA -0.369 57.821 58.200 -0.017 0.000 0.835 184 S CB 1.127 64.319 63.200 -0.014 0.000 1.104 184 S HN 1.562 nan 8.310 nan 0.000 0.458 185 G N 0.455 109.242 108.800 -0.021 0.000 2.719 185 G HA2 0.342 4.302 3.960 0.001 0.000 0.686 185 G HA3 0.342 4.302 3.960 0.001 0.000 0.686 185 G C -0.347 174.542 174.900 -0.018 0.000 1.201 185 G CA -0.210 44.872 45.100 -0.030 0.000 0.768 185 G HN 2.009 nan 8.290 nan 0.000 0.629 186 S N 0.155 115.856 115.700 0.001 0.000 2.651 186 S HA 0.755 5.226 4.470 0.001 0.000 0.291 186 S C 1.247 175.889 174.600 0.070 0.000 1.141 186 S CA -0.166 58.076 58.200 0.070 0.000 1.027 186 S CB 1.147 64.393 63.200 0.078 0.000 1.043 186 S HN 0.840 nan 8.310 nan 0.000 0.530 187 F N 2.469 122.426 119.950 0.012 0.000 2.269 187 F HA 0.131 4.659 4.527 0.001 0.000 0.301 187 F C 2.519 178.352 175.800 0.055 0.000 1.082 187 F CA 1.513 59.544 58.000 0.051 0.000 1.360 187 F CB -0.672 38.374 39.000 0.076 0.000 1.041 187 F HN 0.824 nan 8.300 nan 0.000 0.512 188 G N -0.902 108.025 108.800 0.212 0.000 2.448 188 G HA2 -0.199 3.761 3.960 0.001 0.000 0.219 188 G HA3 -0.199 3.761 3.960 0.001 0.000 0.219 188 G C 1.006 175.953 174.900 0.079 0.000 1.127 188 G CA 0.942 46.126 45.100 0.141 0.000 0.766 188 G HN 0.270 nan 8.290 nan 0.000 0.552 189 D N 0.938 121.358 120.400 0.033 0.000 2.460 189 D HA 0.330 4.971 4.640 0.001 0.000 0.229 189 D C 0.899 177.149 176.300 -0.083 0.000 1.170 189 D CA 0.023 54.011 54.000 -0.019 0.000 0.827 189 D CB 0.585 41.367 40.800 -0.029 0.000 0.973 189 D HN 0.267 nan 8.370 nan 0.000 0.496 190 A N 0.876 123.640 122.820 -0.093 0.000 2.366 190 A HA 0.373 4.694 4.320 0.001 0.000 0.272 190 A C 0.967 178.427 177.584 -0.207 0.000 1.135 190 A CA -0.253 51.638 52.037 -0.243 0.000 0.804 190 A CB 0.243 19.058 19.000 -0.308 0.000 1.064 190 A HN 0.106 nan 8.150 nan 0.000 0.499 191 T N -0.333 114.063 114.554 -0.263 0.000 3.393 191 T HA 0.589 4.939 4.350 0.001 0.000 0.255 191 T C 0.307 174.870 174.700 -0.228 0.000 1.008 191 T CA 0.101 62.091 62.100 -0.184 0.000 1.053 191 T CB -0.453 68.341 68.868 -0.124 0.000 1.120 191 T HN 2.333 nan 8.240 nan 0.000 0.538 192 G N 0.868 109.448 108.800 -0.367 0.000 2.465 192 G HA2 0.292 4.253 3.960 0.001 0.000 0.681 192 G HA3 0.292 4.253 3.960 0.001 0.000 0.681 192 G C -1.350 173.196 174.900 -0.589 0.000 1.340 192 G CA -1.278 43.631 45.100 -0.317 0.000 0.884 192 G HN 0.284 nan 8.290 nan 0.000 0.650 193 F N 0.586 120.502 119.950 -0.058 0.000 2.551 193 F HA 0.854 5.382 4.527 0.001 0.000 0.316 193 F C 0.916 176.659 175.800 -0.095 0.000 1.089 193 F CA 0.127 58.073 58.000 -0.090 0.000 0.915 193 F CB 2.937 41.896 39.000 -0.069 0.000 1.186 193 F HN 0.868 nan 8.300 nan 0.000 0.456 194 T N -1.635 112.948 114.554 0.048 0.000 2.742 194 T HA 0.848 5.198 4.350 0.001 0.000 0.282 194 T C -1.456 173.162 174.700 -0.136 0.000 1.025 194 T CA -0.911 61.166 62.100 -0.040 0.000 1.020 194 T CB 1.777 70.612 68.868 -0.055 0.000 1.317 194 T HN 0.337 nan 8.240 nan 0.000 0.538 195 V N 1.333 121.140 119.914 -0.180 0.000 2.462 195 V HA 0.450 4.570 4.120 0.001 0.000 0.288 195 V C -0.986 175.037 176.094 -0.118 0.000 1.020 195 V CA -0.580 61.582 62.300 -0.231 0.000 0.857 195 V CB 1.190 32.722 31.823 -0.485 0.000 1.013 195 V HN 0.898 nan 8.190 nan 0.000 0.431 196 Q N 2.507 122.262 119.800 -0.075 0.000 2.339 196 Q HA 0.475 4.815 4.340 0.001 0.000 0.268 196 Q C -0.379 175.624 176.000 0.005 0.000 1.027 196 Q CA -0.465 55.320 55.803 -0.030 0.000 0.759 196 Q CB 1.494 30.210 28.738 -0.037 0.000 1.244 196 Q HN 0.846 nan 8.270 nan 0.000 0.464 197 D N 2.022 122.441 120.400 0.032 0.000 2.809 197 D HA -0.165 4.475 4.640 0.001 0.000 0.234 197 D C 0.684 177.036 176.300 0.087 0.000 1.111 197 D CA 1.344 55.374 54.000 0.051 0.000 0.726 197 D CB -0.946 39.873 40.800 0.032 0.000 1.089 197 D HN 1.003 nan 8.370 nan 0.000 0.436 198 G N -1.102 107.777 108.800 0.132 0.000 2.189 198 G HA2 -0.358 3.603 3.960 0.001 0.000 0.267 198 G HA3 -0.358 3.603 3.960 0.001 0.000 0.267 198 G C 0.244 175.339 174.900 0.325 0.000 0.975 198 G CA 0.810 46.037 45.100 0.212 0.000 0.644 198 G HN 0.523 nan 8.290 nan 0.000 0.537 199 Q N -0.611 119.307 119.800 0.197 0.000 2.205 199 Q HA 0.668 5.008 4.340 0.001 0.000 0.249 199 Q C 0.464 176.331 176.000 -0.222 0.000 0.948 199 Q CA -0.845 55.021 55.803 0.106 0.000 0.895 199 Q CB 1.707 30.453 28.738 0.013 0.000 1.249 199 Q HN 0.393 nan 8.270 nan 0.000 0.458 200 L N 0.952 121.781 121.223 -0.657 0.000 2.349 200 L HA 0.317 4.658 4.340 0.001 0.000 0.275 200 L C -0.903 175.769 176.870 -0.329 0.000 1.115 200 L CA -0.499 53.858 54.840 -0.805 0.000 0.820 200 L CB 0.864 42.295 42.059 -1.046 0.000 1.135 200 L HN 0.255 nan 8.230 nan 0.000 0.445 201 V N 5.581 125.355 119.914 -0.232 0.000 2.376 201 V HA 0.278 4.398 4.120 0.001 0.000 0.287 201 V C -0.216 175.802 176.094 -0.126 0.000 1.015 201 V CA -0.649 61.561 62.300 -0.149 0.000 0.834 201 V CB 1.642 33.391 31.823 -0.124 0.000 1.001 201 V HN 0.403 nan 8.190 nan 0.000 0.428 202 V N 4.687 124.497 119.914 -0.174 0.000 2.364 202 V HA 0.631 4.751 4.120 0.001 0.000 0.272 202 V C 0.703 176.612 176.094 -0.309 0.000 1.036 202 V CA -0.279 61.842 62.300 -0.297 0.000 0.880 202 V CB 1.589 33.200 31.823 -0.353 0.000 0.991 202 V HN 0.972 nan 8.190 nan 0.000 0.460 203 A N 7.124 129.720 122.820 -0.374 0.000 2.309 203 A HA 0.733 5.054 4.320 0.001 0.000 0.290 203 A C -0.229 177.185 177.584 -0.283 0.000 1.206 203 A CA -0.262 51.610 52.037 -0.276 0.000 0.850 203 A CB 0.248 19.111 19.000 -0.228 0.000 1.118 203 A HN 0.807 nan 8.150 nan 0.000 0.523 204 L N 3.413 124.515 121.223 -0.201 0.000 2.687 204 L HA 0.452 4.793 4.340 0.001 0.000 0.252 204 L C -0.957 175.842 176.870 -0.119 0.000 1.115 204 L CA -1.884 52.858 54.840 -0.164 0.000 0.893 204 L CB 0.860 42.837 42.059 -0.138 0.000 1.670 204 L HN 0.496 nan 8.230 nan 0.000 0.531 205 P HA -0.032 nan 4.420 nan 0.000 0.229 205 P C -0.364 176.900 177.300 -0.059 0.000 1.160 205 P CA 1.117 64.178 63.100 -0.065 0.000 0.777 205 P CB 0.487 32.158 31.700 -0.048 0.000 0.814 206 D N -1.197 119.165 120.400 -0.064 0.000 3.849 206 D HA 0.105 4.746 4.640 0.001 0.000 0.211 206 D C -0.589 175.670 176.300 -0.068 0.000 1.481 206 D CA -0.451 53.515 54.000 -0.057 0.000 1.143 206 D CB 0.218 40.992 40.800 -0.045 0.000 1.306 206 D HN -0.408 nan 8.370 nan 0.000 0.569 207 K N -0.717 119.647 120.400 -0.061 0.000 2.619 207 K HA 0.071 4.391 4.320 0.001 0.000 0.278 207 K C 0.056 176.604 176.600 -0.087 0.000 0.969 207 K CA 0.810 57.058 56.287 -0.065 0.000 1.042 207 K CB 0.019 32.486 32.500 -0.055 0.000 0.845 207 K HN 0.349 nan 8.250 nan 0.000 0.497 208 S N 2.625 118.271 115.700 -0.089 0.000 2.257 208 S HA 0.218 4.688 4.470 0.001 0.000 0.191 208 S C 0.048 174.576 174.600 -0.120 0.000 1.386 208 S CA -0.386 57.746 58.200 -0.113 0.000 1.233 208 S CB 0.296 63.437 63.200 -0.097 0.000 1.138 208 S HN 0.777 nan 8.310 nan 0.000 0.483 209 T N 1.347 115.823 114.554 -0.131 0.000 2.726 209 T HA 0.601 4.952 4.350 0.001 0.000 0.294 209 T C 0.630 175.256 174.700 -0.123 0.000 1.013 209 T CA 0.141 62.173 62.100 -0.113 0.000 0.996 209 T CB 0.651 69.459 68.868 -0.101 0.000 1.016 209 T HN 0.607 nan 8.240 nan 0.000 0.529 210 G N 0.648 109.393 108.800 -0.092 0.000 2.568 210 G HA2 0.621 4.581 3.960 0.001 0.000 0.313 210 G HA3 0.621 4.581 3.960 0.001 0.000 0.313 210 G C -0.787 174.081 174.900 -0.053 0.000 1.227 210 G CA -0.983 44.065 45.100 -0.086 0.000 0.979 210 G HN 0.814 nan 8.290 nan 0.000 0.486 211 L N 0.323 121.529 121.223 -0.028 0.000 2.483 211 L HA 0.255 4.596 4.340 0.001 0.000 0.275 211 L C 1.834 178.717 176.870 0.022 0.000 1.220 211 L CA -0.187 54.669 54.840 0.026 0.000 0.833 211 L CB 0.605 42.702 42.059 0.064 0.000 1.102 211 L HN 0.626 nan 8.230 nan 0.000 0.490 212 A N 1.806 124.644 122.820 0.030 0.000 2.123 212 A HA -0.021 4.300 4.320 0.001 0.000 0.214 212 A C 0.920 178.519 177.584 0.025 0.000 1.152 212 A CA 0.537 52.586 52.037 0.020 0.000 0.728 212 A CB -0.300 18.710 19.000 0.017 0.000 0.814 212 A HN 0.838 nan 8.150 nan 0.000 0.464 213 N N -0.071 118.650 118.700 0.035 0.000 2.626 213 N HA 0.258 4.998 4.740 0.001 0.000 0.249 213 N C -2.542 173.007 175.510 0.066 0.000 1.021 213 N CA -1.418 51.657 53.050 0.041 0.000 0.886 213 N CB 1.543 40.050 38.487 0.033 0.000 1.149 213 N HN -0.088 nan 8.380 nan 0.000 0.517 214 P HA -0.007 nan 4.420 nan 0.000 0.222 214 P C 1.395 178.785 177.300 0.150 0.000 1.147 214 P CA 0.632 63.801 63.100 0.116 0.000 0.790 214 P CB 0.233 31.991 31.700 0.096 0.000 0.780 215 G N 0.456 109.312 108.800 0.094 0.000 2.545 215 G HA2 -0.313 3.647 3.960 0.001 0.000 0.222 215 G HA3 -0.313 3.647 3.960 0.001 0.000 0.222 215 G C 1.383 176.333 174.900 0.083 0.000 1.126 215 G CA 0.675 45.818 45.100 0.071 0.000 0.754 215 G HN 0.358 nan 8.290 nan 0.000 0.583 216 Q N -0.874 118.987 119.800 0.103 0.000 2.482 216 Q HA 0.105 4.446 4.340 0.001 0.000 0.209 216 Q C 0.036 176.152 176.000 0.193 0.000 0.961 216 Q CA -0.353 55.509 55.803 0.098 0.000 0.945 216 Q CB 0.144 28.920 28.738 0.063 0.000 1.012 216 Q HN 0.442 nan 8.270 nan 0.000 0.515 217 F N 0.705 120.680 119.950 0.043 0.000 2.404 217 F HA 0.363 4.890 4.527 0.001 0.000 0.359 217 F C 0.496 176.347 175.800 0.086 0.000 1.134 217 F CA -1.175 56.865 58.000 0.068 0.000 1.160 217 F CB 0.626 39.666 39.000 0.068 0.000 1.186 217 F HN -0.138 nan 8.300 nan 0.000 0.526 218 A N 3.900 126.665 122.820 -0.090 0.000 2.252 218 A HA 0.683 5.004 4.320 0.001 0.000 0.213 218 A C 0.983 178.472 177.584 -0.158 0.000 1.188 218 A CA 0.601 52.566 52.037 -0.120 0.000 0.863 218 A CB -0.516 18.546 19.000 0.103 0.000 0.893 218 A HN 1.228 nan 8.150 nan 0.000 0.495 219 G N -1.605 106.987 108.800 -0.346 0.000 2.350 219 G HA2 0.481 4.441 3.960 0.001 0.000 0.276 219 G HA3 0.481 4.441 3.960 0.001 0.000 0.276 219 G C -1.051 174.031 174.900 0.303 0.000 1.313 219 G CA 0.059 45.127 45.100 -0.053 0.000 0.903 219 G HN 1.537 nan 8.290 nan 0.000 0.490 220 Y N -2.324 118.065 120.300 0.149 0.000 2.717 220 Y HA 0.705 5.255 4.550 0.001 0.000 0.345 220 Y C -0.342 175.662 175.900 0.174 0.000 1.187 220 Y CA -0.543 57.685 58.100 0.213 0.000 1.128 220 Y CB 0.779 39.403 38.460 0.272 0.000 1.360 220 Y HN 1.388 nan 8.280 nan 0.000 0.467 221 T N -0.136 114.524 114.554 0.177 0.000 2.942 221 T HA 0.832 5.182 4.350 0.001 0.000 0.289 221 T C 0.558 175.315 174.700 0.094 0.000 1.044 221 T CA -0.162 61.928 62.100 -0.017 0.000 1.023 221 T CB 1.104 69.918 68.868 -0.091 0.000 1.123 221 T HN 2.520 nan 8.240 nan 0.000 0.512 222 G N 0.750 109.560 108.800 0.018 0.000 2.598 222 G HA2 0.293 4.253 3.960 0.001 0.000 0.244 222 G HA3 0.293 4.253 3.960 0.001 0.000 0.244 222 G C 0.128 175.142 174.900 0.190 0.000 1.302 222 G CA -0.094 45.053 45.100 0.078 0.000 0.903 222 G HN 1.787 nan 8.290 nan 0.000 0.575 223 A N -0.518 122.408 122.820 0.176 0.000 2.316 223 A HA 0.866 5.186 4.320 0.001 0.000 0.284 223 A C 1.665 179.372 177.584 0.206 0.000 1.115 223 A CA 0.858 53.012 52.037 0.196 0.000 0.812 223 A CB 0.976 20.038 19.000 0.104 0.000 1.064 223 A HN 2.473 nan 8.150 nan 0.000 0.489 224 A N 1.143 124.066 122.820 0.172 0.000 1.933 224 A HA -0.107 4.214 4.320 0.001 0.000 0.218 224 A C 1.657 179.213 177.584 -0.047 0.000 1.175 224 A CA 2.097 54.101 52.037 -0.054 0.000 0.628 224 A CB -0.506 18.479 19.000 -0.025 0.000 0.814 224 A HN 0.883 nan 8.150 nan 0.000 0.444 225 E N 0.179 120.387 120.200 0.012 0.000 2.208 225 E HA -0.022 4.329 4.350 0.001 0.000 0.193 225 E C 0.187 176.798 176.600 0.017 0.000 0.988 225 E CA 1.090 57.494 56.400 0.007 0.000 0.828 225 E CB 0.029 29.738 29.700 0.015 0.000 0.763 225 E HN 0.621 nan 8.360 nan 0.000 0.478 226 S N 0.076 115.800 115.700 0.041 0.000 2.387 226 S HA 0.268 4.739 4.470 0.001 0.000 0.211 226 S C -2.881 171.771 174.600 0.087 0.000 1.055 226 S CA -1.489 56.746 58.200 0.058 0.000 1.133 226 S CB 1.033 64.262 63.200 0.048 0.000 1.235 226 S HN -0.148 nan 8.310 nan 0.000 0.425 227 P HA 0.139 nan 4.420 nan 0.000 0.268 227 P C 1.185 178.559 177.300 0.123 0.000 1.205 227 P CA -0.054 63.146 63.100 0.166 0.000 0.771 227 P CB 0.651 32.470 31.700 0.199 0.000 0.858 228 T N -1.636 112.983 114.554 0.107 0.000 3.085 228 T HA 0.098 4.449 4.350 0.001 0.000 0.263 228 T C 0.745 175.476 174.700 0.053 0.000 1.127 228 T CA 0.490 62.625 62.100 0.059 0.000 1.103 228 T CB -0.415 68.466 68.868 0.022 0.000 0.921 228 T HN 0.706 nan 8.240 nan 0.000 0.510 229 S N -1.011 114.744 115.700 0.092 0.000 2.611 229 S HA 0.557 5.028 4.470 0.001 0.000 0.270 229 S C -1.810 172.876 174.600 0.143 0.000 1.131 229 S CA -0.999 57.249 58.200 0.080 0.000 0.826 229 S CB 1.572 64.815 63.200 0.072 0.000 1.095 229 S HN 0.161 nan 8.310 nan 0.000 0.461 230 V N 1.759 121.722 119.914 0.082 0.000 2.525 230 V HA 0.628 4.749 4.120 0.001 0.000 0.299 230 V C -0.974 175.199 176.094 0.131 0.000 1.034 230 V CA -0.585 61.794 62.300 0.133 0.000 0.863 230 V CB 1.439 33.219 31.823 -0.071 0.000 0.999 230 V HN 0.932 nan 8.190 nan 0.000 0.423 231 L N 6.865 128.196 121.223 0.180 0.000 2.282 231 L HA 0.744 5.084 4.340 0.001 0.000 0.288 231 L C -0.723 176.256 176.870 0.181 0.000 1.033 231 L CA 0.410 55.290 54.840 0.068 0.000 0.807 231 L CB 1.015 42.900 42.059 -0.289 0.000 1.209 231 L HN 0.566 nan 8.230 nan 0.000 0.423 232 L N 5.365 126.694 121.223 0.177 0.000 2.257 232 L HA 0.694 5.035 4.340 0.001 0.000 0.257 232 L C -0.831 176.110 176.870 0.118 0.000 1.033 232 L CA -0.849 54.089 54.840 0.163 0.000 0.835 232 L CB 2.022 44.142 42.059 0.102 0.000 1.398 232 L HN 0.586 nan 8.230 nan 0.000 0.429 233 I N 0.624 121.215 120.570 0.036 0.000 2.842 233 I HA 0.483 4.653 4.170 0.001 0.000 0.297 233 I C -2.062 174.038 176.117 -0.028 0.000 1.380 233 I CA -0.118 61.143 61.300 -0.064 0.000 1.018 233 I CB 2.384 40.256 38.000 -0.214 0.000 1.311 233 I HN 0.812 nan 8.210 nan 0.000 0.439 234 N N 4.004 122.706 118.700 0.004 0.000 2.521 234 N HA 0.378 5.119 4.740 0.001 0.000 0.269 234 N C -0.955 174.590 175.510 0.058 0.000 1.079 234 N CA -0.333 52.715 53.050 -0.004 0.000 0.980 234 N CB 0.926 39.391 38.487 -0.037 0.000 1.667 234 N HN 0.775 nan 8.380 nan 0.000 0.498 235 H N 2.519 121.592 119.070 0.005 0.000 2.776 235 H HA -0.202 4.355 4.556 0.001 0.000 0.300 235 H C 0.970 176.251 175.328 -0.079 0.000 1.161 235 H CA 1.043 57.074 56.048 -0.030 0.000 1.147 235 H CB -1.042 28.706 29.762 -0.025 0.000 1.366 235 H HN 1.060 nan 8.280 nan 0.000 0.397 236 G N -0.620 108.188 108.800 0.013 0.000 2.179 236 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 236 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 236 G C 0.095 174.907 174.900 -0.145 0.000 0.977 236 G CA 0.382 45.443 45.100 -0.066 0.000 0.641 236 G HN 0.388 nan 8.290 nan 0.000 0.533 237 L N 0.268 121.403 121.223 -0.146 0.000 2.346 237 L HA 0.629 4.970 4.340 0.001 0.000 0.274 237 L C 0.279 177.107 176.870 -0.070 0.000 1.007 237 L CA -1.333 53.419 54.840 -0.147 0.000 0.818 237 L CB 1.591 43.518 42.059 -0.220 0.000 1.284 237 L HN 0.175 nan 8.230 nan 0.000 0.424 238 H N 2.836 121.947 119.070 0.067 0.000 2.525 238 H HA 0.529 5.085 4.556 0.001 0.000 0.339 238 H C -0.670 174.796 175.328 0.230 0.000 1.109 238 H CA 0.076 56.228 56.048 0.175 0.000 1.352 238 H CB 1.035 31.002 29.762 0.341 0.000 1.461 238 H HN 0.337 nan 8.280 nan 0.000 0.533 239 I N 2.101 122.868 120.570 0.328 0.000 2.468 239 I HA 0.195 4.365 4.170 0.001 0.000 0.285 239 I C -0.458 175.787 176.117 0.214 0.000 1.039 239 I CA -0.367 61.080 61.300 0.244 0.000 1.074 239 I CB 1.649 39.720 38.000 0.118 0.000 1.228 239 I HN 0.563 nan 8.210 nan 0.000 0.436 240 E N 7.187 127.519 120.200 0.220 0.000 2.145 240 E HA 0.509 4.859 4.350 0.001 0.000 0.270 240 E C -1.058 175.580 176.600 0.064 0.000 0.906 240 E CA -0.693 55.792 56.400 0.141 0.000 0.761 240 E CB 1.514 31.312 29.700 0.163 0.000 1.116 240 E HN 0.532 nan 8.360 nan 0.000 0.408 241 I N 5.859 126.432 120.570 0.006 0.000 2.312 241 I HA 0.158 4.328 4.170 0.001 0.000 0.291 241 I C -0.006 176.079 176.117 -0.053 0.000 1.031 241 I CA -0.495 60.771 61.300 -0.056 0.000 1.293 241 I CB 0.613 38.524 38.000 -0.147 0.000 1.403 241 I HN 0.404 nan 8.210 nan 0.000 0.484 242 L N 7.762 128.949 121.223 -0.060 0.000 2.315 242 L HA 0.406 4.747 4.340 0.001 0.000 0.283 242 L C -0.171 176.690 176.870 -0.014 0.000 1.089 242 L CA -0.258 54.557 54.840 -0.041 0.000 0.833 242 L CB 0.592 42.611 42.059 -0.067 0.000 1.170 242 L HN 0.516 nan 8.230 nan 0.000 0.442 243 I N 3.855 124.438 120.570 0.021 0.000 2.321 243 I HA 0.264 4.434 4.170 0.001 0.000 0.291 243 I C -0.332 175.816 176.117 0.051 0.000 0.998 243 I CA 0.094 61.435 61.300 0.069 0.000 1.227 243 I CB 1.445 39.520 38.000 0.125 0.000 1.368 243 I HN 0.471 nan 8.210 nan 0.000 0.466 244 D N 8.541 128.970 120.400 0.049 0.000 2.445 244 D HA 0.234 4.875 4.640 0.001 0.000 0.236 244 D C -2.244 174.076 176.300 0.034 0.000 1.315 244 D CA -1.477 52.541 54.000 0.030 0.000 0.924 244 D CB 1.878 42.683 40.800 0.008 0.000 1.447 244 D HN 0.082 nan 8.370 nan 0.000 0.532 245 P HA 0.075 nan 4.420 nan 0.000 0.225 245 P C 0.332 177.644 177.300 0.021 0.000 1.156 245 P CA 0.798 63.920 63.100 0.036 0.000 0.787 245 P CB 0.325 32.047 31.700 0.036 0.000 0.802 246 E N 0.065 120.273 120.200 0.012 0.000 2.597 246 E HA 0.503 4.854 4.350 0.001 0.000 0.235 246 E C -0.120 176.476 176.600 -0.006 0.000 1.155 246 E CA -0.475 55.927 56.400 0.002 0.000 1.199 246 E CB -0.373 29.328 29.700 0.002 0.000 1.409 246 E HN 0.106 nan 8.360 nan 0.000 0.453 247 S N -0.268 115.426 115.700 -0.011 0.000 2.564 247 S HA 0.341 4.812 4.470 0.001 0.000 0.274 247 S C 1.071 175.643 174.600 -0.048 0.000 1.124 247 S CA 0.144 58.328 58.200 -0.025 0.000 0.869 247 S CB 1.993 65.184 63.200 -0.015 0.000 1.105 247 S HN 0.450 nan 8.310 nan 0.000 0.472 248 Q N 2.676 122.428 119.800 -0.079 0.000 2.045 248 Q HA -0.103 4.237 4.340 0.001 0.000 0.206 248 Q C 1.326 177.201 176.000 -0.208 0.000 0.991 248 Q CA 2.942 58.658 55.803 -0.145 0.000 0.851 248 Q CB -0.884 27.752 28.738 -0.171 0.000 0.911 248 Q HN 0.568 nan 8.270 nan 0.000 0.418 249 V N 0.478 120.294 119.914 -0.164 0.000 2.535 249 V HA 0.010 4.130 4.120 0.001 0.000 0.246 249 V C 2.287 178.390 176.094 0.015 0.000 1.045 249 V CA 1.366 63.606 62.300 -0.101 0.000 1.058 249 V CB -1.206 30.640 31.823 0.038 0.000 0.689 249 V HN 0.616 nan 8.190 nan 0.000 0.461 250 G N 0.712 109.523 108.800 0.019 0.000 2.514 250 G HA2 -0.306 3.655 3.960 0.001 0.000 0.217 250 G HA3 -0.306 3.655 3.960 0.001 0.000 0.217 250 G C 1.641 176.562 174.900 0.037 0.000 1.198 250 G CA 1.802 46.928 45.100 0.043 0.000 0.780 250 G HN 0.452 nan 8.290 nan 0.000 0.565 251 T N 0.779 115.339 114.554 0.010 0.000 2.848 251 T HA -0.214 4.136 4.350 0.001 0.000 0.269 251 T C 2.527 177.244 174.700 0.028 0.000 1.081 251 T CA 2.171 64.279 62.100 0.012 0.000 1.125 251 T CB -0.543 68.322 68.868 -0.004 0.000 0.848 251 T HN 0.648 nan 8.240 nan 0.000 0.503 252 T N -1.368 113.208 114.554 0.037 0.000 3.051 252 T HA 0.070 4.420 4.350 0.001 0.000 0.255 252 T C 0.578 175.329 174.700 0.085 0.000 1.085 252 T CA -0.134 62.005 62.100 0.064 0.000 1.109 252 T CB 0.047 68.966 68.868 0.086 0.000 0.921 252 T HN 0.163 nan 8.240 nan 0.000 0.488 253 D N 1.145 121.602 120.400 0.095 0.000 2.264 253 D HA 0.238 4.879 4.640 0.001 0.000 0.250 253 D C 1.242 177.599 176.300 0.095 0.000 1.113 253 D CA -0.351 53.723 54.000 0.123 0.000 0.871 253 D CB 1.706 42.607 40.800 0.168 0.000 1.167 253 D HN 0.112 nan 8.370 nan 0.000 0.447 254 R N 3.558 124.111 120.500 0.089 0.000 2.143 254 R HA -0.235 4.106 4.340 0.001 0.000 0.239 254 R C 1.628 177.952 176.300 0.041 0.000 1.126 254 R CA 2.570 58.704 56.100 0.056 0.000 0.927 254 R CB -0.439 29.892 30.300 0.052 0.000 0.860 254 R HN 0.451 nan 8.270 nan 0.000 0.433 255 A N -1.800 121.057 122.820 0.061 0.000 2.218 255 A HA 0.307 4.627 4.320 0.001 0.000 0.209 255 A C 1.390 179.035 177.584 0.102 0.000 1.168 255 A CA 0.715 52.774 52.037 0.037 0.000 0.804 255 A CB -0.071 18.940 19.000 0.018 0.000 0.834 255 A HN 0.752 nan 8.150 nan 0.000 0.482 256 G N -1.624 107.247 108.800 0.117 0.000 2.148 256 G HA2 -0.165 3.796 3.960 0.001 0.000 0.203 256 G HA3 -0.165 3.796 3.960 0.001 0.000 0.203 256 G C 0.112 175.090 174.900 0.130 0.000 0.993 256 G CA -0.072 45.093 45.100 0.108 0.000 0.661 256 G HN 0.691 nan 8.290 nan 0.000 0.518 257 V N 1.606 121.624 119.914 0.174 0.000 2.450 257 V HA 0.166 4.286 4.120 0.001 0.000 0.281 257 V C 1.795 177.955 176.094 0.109 0.000 1.019 257 V CA 1.449 63.840 62.300 0.152 0.000 1.062 257 V CB 1.349 33.300 31.823 0.213 0.000 0.979 257 V HN 0.480 nan 8.190 nan 0.000 0.477 258 K N 2.987 123.400 120.400 0.022 0.000 2.116 258 K HA 0.003 4.324 4.320 0.001 0.000 0.203 258 K C 0.459 176.980 176.600 -0.132 0.000 1.052 258 K CA 1.015 57.299 56.287 -0.005 0.000 0.952 258 K CB 0.335 32.819 32.500 -0.026 0.000 0.729 258 K HN 0.813 nan 8.250 nan 0.000 0.446 259 D N -1.482 118.674 120.400 -0.407 0.000 2.694 259 D HA 0.203 4.844 4.640 0.001 0.000 0.260 259 D C -1.928 173.917 176.300 -0.758 0.000 1.250 259 D CA -0.504 52.978 54.000 -0.864 0.000 0.763 259 D CB 2.221 42.817 40.800 -0.341 0.000 1.311 259 D HN -0.183 nan 8.370 nan 0.000 0.420 260 V N 2.374 121.841 119.914 -0.746 0.000 2.483 260 V HA 0.477 4.598 4.120 0.001 0.000 0.297 260 V C -0.280 175.779 176.094 -0.059 0.000 1.027 260 V CA -0.722 61.439 62.300 -0.231 0.000 0.855 260 V CB 1.591 33.382 31.823 -0.053 0.000 0.995 260 V HN 0.416 nan 8.190 nan 0.000 0.424 261 I N 6.122 126.714 120.570 0.037 0.000 2.354 261 I HA 0.490 4.660 4.170 0.001 0.000 0.292 261 I C -0.351 175.902 176.117 0.227 0.000 0.989 261 I CA -0.310 61.073 61.300 0.138 0.000 1.188 261 I CB 1.736 39.841 38.000 0.176 0.000 1.342 261 I HN 0.413 nan 8.210 nan 0.000 0.457 262 L N 4.898 126.227 121.223 0.176 0.000 2.329 262 L HA 0.462 4.802 4.340 0.001 0.000 0.279 262 L C 0.459 177.320 176.870 -0.013 0.000 1.014 262 L CA -0.787 54.129 54.840 0.127 0.000 0.814 262 L CB 1.713 43.802 42.059 0.050 0.000 1.257 262 L HN 0.554 nan 8.230 nan 0.000 0.424 263 E N 1.345 121.378 120.200 -0.278 0.000 2.417 263 E HA 0.109 4.460 4.350 0.001 0.000 0.261 263 E C -0.452 175.948 176.600 -0.334 0.000 1.000 263 E CA 0.203 56.172 56.400 -0.719 0.000 0.919 263 E CB 0.716 29.938 29.700 -0.797 0.000 0.955 263 E HN 0.729 nan 8.360 nan 0.000 0.455 264 S N 2.619 118.122 115.700 -0.328 0.000 3.733 264 S HA 0.330 4.801 4.470 0.001 0.000 0.178 264 S C -0.569 173.919 174.600 -0.186 0.000 1.032 264 S CA 0.012 58.102 58.200 -0.183 0.000 1.191 264 S CB 0.147 63.283 63.200 -0.107 0.000 1.657 264 S HN 0.646 nan 8.310 nan 0.000 0.863 265 A N 1.373 124.113 122.820 -0.133 0.000 2.541 265 A HA 0.335 4.656 4.320 0.001 0.000 0.293 265 A C 0.642 178.158 177.584 -0.114 0.000 1.307 265 A CA 0.019 51.999 52.037 -0.096 0.000 0.978 265 A CB -0.882 18.091 19.000 -0.044 0.000 1.111 265 A HN 0.457 nan 8.150 nan 0.000 0.535 266 I N 1.882 122.373 120.570 -0.131 0.000 2.286 266 I HA -0.063 4.108 4.170 0.001 0.000 0.245 266 I C 1.592 177.699 176.117 -0.017 0.000 1.104 266 I CA 2.074 63.309 61.300 -0.108 0.000 1.397 266 I CB -0.091 37.822 38.000 -0.145 0.000 1.072 266 I HN 0.695 nan 8.210 nan 0.000 0.417 267 T N -3.076 111.496 114.554 0.029 0.000 2.916 267 T HA 0.703 5.054 4.350 0.001 0.000 0.292 267 T C -0.227 174.544 174.700 0.118 0.000 1.055 267 T CA -0.712 61.476 62.100 0.146 0.000 1.009 267 T CB 2.112 71.157 68.868 0.295 0.000 1.118 267 T HN -0.107 nan 8.240 nan 0.000 0.497 268 T N 1.318 115.991 114.554 0.198 0.000 2.916 268 T HA 0.587 4.938 4.350 0.001 0.000 0.305 268 T C -0.881 173.949 174.700 0.216 0.000 1.119 268 T CA -0.611 61.562 62.100 0.123 0.000 1.008 268 T CB 1.088 70.025 68.868 0.115 0.000 1.129 268 T HN 0.654 nan 8.240 nan 0.000 0.480 269 I N 3.358 123.957 120.570 0.047 0.000 2.354 269 I HA 0.341 4.512 4.170 0.001 0.000 0.286 269 I C -0.194 175.943 176.117 0.034 0.000 1.007 269 I CA -0.713 60.622 61.300 0.059 0.000 1.167 269 I CB 1.318 39.220 38.000 -0.164 0.000 1.320 269 I HN 0.332 nan 8.210 nan 0.000 0.458 270 M N 5.049 124.710 119.600 0.102 0.000 2.108 270 M HA 0.223 4.704 4.480 0.001 0.000 0.347 270 M C -0.521 175.767 176.300 -0.019 0.000 1.326 270 M CA -0.233 55.101 55.300 0.056 0.000 1.126 270 M CB 0.258 32.958 32.600 0.166 0.000 1.606 270 M HN 0.362 nan 8.290 nan 0.000 0.462 271 D N 1.911 122.270 120.400 -0.068 0.000 2.232 271 D HA 0.304 4.945 4.640 0.001 0.000 0.242 271 D C -0.204 176.018 176.300 -0.130 0.000 1.093 271 D CA -0.203 53.781 54.000 -0.026 0.000 0.845 271 D CB 0.763 41.553 40.800 -0.016 0.000 1.124 271 D HN 0.389 nan 8.370 nan 0.000 0.467 272 F N 1.292 121.244 119.950 0.002 0.000 2.704 272 F HA 0.216 4.743 4.527 0.001 0.000 0.304 272 F C 1.743 177.580 175.800 0.062 0.000 1.094 272 F CA -0.178 57.832 58.000 0.016 0.000 1.275 272 F CB 0.508 39.518 39.000 0.016 0.000 1.073 272 F HN 0.406 nan 8.300 nan 0.000 0.586 273 E N 0.414 120.751 120.200 0.229 0.000 3.536 273 E HA -0.015 4.336 4.350 0.001 0.000 0.381 273 E C 0.759 177.483 176.600 0.208 0.000 0.471 273 E CA 0.136 56.662 56.400 0.210 0.000 2.090 273 E CB 0.017 29.827 29.700 0.184 0.000 2.208 273 E HN -0.076 nan 8.360 nan 0.000 0.475 274 D N 0.341 120.860 120.400 0.199 0.000 2.309 274 D HA -0.107 4.533 4.640 0.001 0.000 0.212 274 D C 1.671 178.131 176.300 0.266 0.000 0.968 274 D CA 1.097 55.234 54.000 0.229 0.000 0.882 274 D CB -0.065 40.843 40.800 0.179 0.000 0.918 274 D HN 0.146 nan 8.370 nan 0.000 0.503 275 S N -0.844 114.974 115.700 0.197 0.000 2.548 275 S HA 0.101 4.571 4.470 0.001 0.000 0.215 275 S C 0.722 175.388 174.600 0.110 0.000 0.976 275 S CA -0.266 58.037 58.200 0.172 0.000 0.908 275 S CB -0.121 63.142 63.200 0.106 0.000 0.781 275 S HN 0.064 nan 8.310 nan 0.000 0.519 276 V N -1.689 118.275 119.914 0.084 0.000 2.960 276 V HA 0.965 5.085 4.120 0.001 0.000 0.315 276 V C -0.388 175.642 176.094 -0.108 0.000 1.087 276 V CA -1.022 61.241 62.300 -0.062 0.000 0.982 276 V CB 1.215 32.965 31.823 -0.121 0.000 1.039 276 V HN 0.364 nan 8.190 nan 0.000 0.437 277 A N 2.306 124.845 122.820 -0.468 0.000 2.304 277 A HA 0.996 5.316 4.320 0.001 0.000 0.323 277 A C 0.112 177.416 177.584 -0.467 0.000 1.195 277 A CA -0.133 51.381 52.037 -0.872 0.000 0.826 277 A CB 1.072 18.981 19.000 -1.817 0.000 1.184 277 A HN 2.591 nan 8.150 nan 0.000 0.496 278 A N 2.159 124.804 122.820 -0.292 0.000 2.475 278 A HA 0.486 4.807 4.320 0.001 0.000 0.300 278 A C -0.018 177.473 177.584 -0.155 0.000 1.089 278 A CA 0.292 52.222 52.037 -0.178 0.000 0.948 278 A CB -0.013 18.942 19.000 -0.075 0.000 1.508 278 A HN 1.994 nan 8.150 nan 0.000 0.385 279 V N -1.619 118.175 119.914 -0.201 0.000 3.528 279 V HA 0.475 4.595 4.120 0.001 0.000 0.294 279 V C -0.003 176.089 176.094 -0.003 0.000 1.404 279 V CA 1.066 63.238 62.300 -0.213 0.000 1.065 279 V CB -0.443 31.238 31.823 -0.237 0.000 0.904 279 V HN 0.794 nan 8.190 nan 0.000 0.435 280 D N -1.457 118.943 120.400 -0.000 0.000 2.677 280 D HA 0.641 5.281 4.640 0.001 0.000 0.298 280 D C 0.903 177.216 176.300 0.022 0.000 1.250 280 D CA 0.031 54.049 54.000 0.030 0.000 0.888 280 D CB 1.189 41.999 40.800 0.018 0.000 1.397 280 D HN 0.056 nan 8.370 nan 0.000 0.461 281 A N 0.012 122.856 122.820 0.039 0.000 1.933 281 A HA 0.170 4.490 4.320 0.001 0.000 0.218 281 A C 2.102 179.682 177.584 -0.008 0.000 1.175 281 A CA 2.508 54.570 52.037 0.041 0.000 0.628 281 A CB -1.296 17.747 19.000 0.072 0.000 0.814 281 A HN 0.741 nan 8.150 nan 0.000 0.444 282 A N 0.285 123.095 122.820 -0.016 0.000 1.883 282 A HA -0.212 4.108 4.320 0.001 0.000 0.217 282 A C 1.784 179.318 177.584 -0.083 0.000 1.186 282 A CA 1.974 53.986 52.037 -0.041 0.000 0.624 282 A CB -0.602 18.381 19.000 -0.030 0.000 0.822 282 A HN 0.475 nan 8.150 nan 0.000 0.444 283 D N -0.145 120.203 120.400 -0.087 0.000 2.084 283 D HA -0.118 4.523 4.640 0.001 0.000 0.194 283 D C 1.930 178.137 176.300 -0.155 0.000 0.990 283 D CA 1.214 55.141 54.000 -0.122 0.000 0.826 283 D CB -0.301 40.425 40.800 -0.123 0.000 0.971 283 D HN 0.328 nan 8.370 nan 0.000 0.453 284 K N 0.583 120.889 120.400 -0.157 0.000 2.063 284 K HA -0.088 4.233 4.320 0.001 0.000 0.208 284 K C 2.200 178.495 176.600 -0.509 0.000 1.048 284 K CA 0.476 56.567 56.287 -0.327 0.000 0.928 284 K CB -0.483 31.888 32.500 -0.214 0.000 0.713 284 K HN 0.060 nan 8.250 nan 0.000 0.442 285 V N 1.772 121.521 119.914 -0.275 0.000 2.427 285 V HA -0.219 3.902 4.120 0.001 0.000 0.248 285 V C 2.368 178.250 176.094 -0.355 0.000 1.051 285 V CA 1.167 63.272 62.300 -0.324 0.000 1.048 285 V CB -0.283 31.412 31.823 -0.214 0.000 0.666 285 V HN 0.254 nan 8.190 nan 0.000 0.456 286 L N 0.087 121.176 121.223 -0.225 0.000 2.012 286 L HA -0.140 4.200 4.340 0.001 0.000 0.210 286 L C 2.398 179.183 176.870 -0.142 0.000 1.073 286 L CA 2.137 56.877 54.840 -0.167 0.000 0.748 286 L CB -0.774 41.201 42.059 -0.140 0.000 0.891 286 L HN 0.410 nan 8.230 nan 0.000 0.431 287 G N -1.726 106.983 108.800 -0.152 0.000 2.404 287 G HA2 -0.287 3.674 3.960 0.001 0.000 0.215 287 G HA3 -0.287 3.674 3.960 0.001 0.000 0.215 287 G C 1.208 176.262 174.900 0.255 0.000 1.174 287 G CA 0.679 45.725 45.100 -0.091 0.000 0.780 287 G HN 0.324 nan 8.290 nan 0.000 0.537 288 Y N 0.708 121.182 120.300 0.291 0.000 2.207 288 Y HA -0.077 4.474 4.550 0.001 0.000 0.287 288 Y C 2.801 178.832 175.900 0.219 0.000 1.156 288 Y CA 1.003 59.293 58.100 0.316 0.000 1.182 288 Y CB -0.718 37.787 38.460 0.075 0.000 0.979 288 Y HN 0.168 nan 8.280 nan 0.000 0.521 289 R N 0.437 120.917 120.500 -0.033 0.000 2.091 289 R HA -0.185 4.156 4.340 0.001 0.000 0.238 289 R C 1.870 178.310 176.300 0.234 0.000 1.136 289 R CA 1.764 57.940 56.100 0.128 0.000 0.959 289 R CB -0.174 30.117 30.300 -0.016 0.000 0.856 289 R HN 0.245 nan 8.270 nan 0.000 0.437 290 N N 0.348 119.154 118.700 0.177 0.000 2.084 290 N HA -0.240 4.500 4.740 0.001 0.000 0.190 290 N C 1.271 176.964 175.510 0.306 0.000 1.030 290 N CA 1.512 54.668 53.050 0.176 0.000 0.849 290 N CB -0.672 37.869 38.487 0.090 0.000 1.012 290 N HN 0.448 nan 8.380 nan 0.000 0.423 291 W N 1.175 122.617 121.300 0.237 0.000 2.363 291 W HA -0.151 4.510 4.660 0.001 0.000 0.296 291 W C 1.701 178.371 176.519 0.252 0.000 1.212 291 W CA 0.515 58.039 57.345 0.298 0.000 1.260 291 W CB -0.204 29.572 29.460 0.526 0.000 1.131 291 W HN 0.093 nan 8.180 nan 0.000 0.530 292 L N 1.961 123.340 121.223 0.260 0.000 2.017 292 L HA 0.028 4.368 4.340 0.001 0.000 0.208 292 L C 2.586 179.447 176.870 -0.015 0.000 1.073 292 L CA 2.865 57.760 54.840 0.090 0.000 0.745 292 L CB -1.472 40.750 42.059 0.271 0.000 0.894 292 L HN -0.012 nan 8.230 nan 0.000 0.432 293 G N -0.386 108.450 108.800 0.060 0.000 2.475 293 G HA2 -0.265 3.696 3.960 0.001 0.000 0.220 293 G HA3 -0.265 3.696 3.960 0.001 0.000 0.220 293 G C 1.608 176.497 174.900 -0.018 0.000 1.125 293 G CA 1.277 46.389 45.100 0.020 0.000 0.755 293 G HN 0.457 nan 8.290 nan 0.000 0.565 294 L N 0.035 121.242 121.223 -0.026 0.000 2.179 294 L HA 0.062 4.403 4.340 0.001 0.000 0.208 294 L C 2.477 179.236 176.870 -0.185 0.000 1.096 294 L CA 0.614 55.413 54.840 -0.067 0.000 0.779 294 L CB -0.149 41.913 42.059 0.005 0.000 0.922 294 L HN 0.143 nan 8.230 nan 0.000 0.443 295 N N -0.378 118.136 118.700 -0.309 0.000 2.415 295 N HA -0.049 4.692 4.740 0.001 0.000 0.176 295 N C 1.493 176.916 175.510 -0.146 0.000 1.042 295 N CA 0.595 53.459 53.050 -0.310 0.000 0.902 295 N CB 0.295 38.508 38.487 -0.456 0.000 0.986 295 N HN 0.328 nan 8.380 nan 0.000 0.447 296 K N 0.082 120.400 120.400 -0.136 0.000 2.365 296 K HA 0.062 4.382 4.320 0.001 0.000 0.197 296 K C 0.855 177.407 176.600 -0.081 0.000 1.042 296 K CA 0.543 56.759 56.287 -0.119 0.000 0.987 296 K CB 0.355 32.748 32.500 -0.178 0.000 0.779 296 K HN 0.173 nan 8.250 nan 0.000 0.484 297 G N 2.919 111.678 108.800 -0.069 0.000 2.157 297 G HA2 -0.224 3.737 3.960 0.001 0.000 0.248 297 G HA3 -0.224 3.737 3.960 0.001 0.000 0.248 297 G C 0.216 175.098 174.900 -0.030 0.000 0.979 297 G CA 0.661 45.736 45.100 -0.042 0.000 0.650 297 G HN 0.504 nan 8.290 nan 0.000 0.529 298 D N -0.559 119.821 120.400 -0.034 0.000 2.395 298 D HA 0.340 4.980 4.640 0.001 0.000 0.213 298 D C 1.030 177.327 176.300 -0.005 0.000 1.110 298 D CA -0.633 53.353 54.000 -0.023 0.000 0.835 298 D CB 0.103 40.883 40.800 -0.034 0.000 0.965 298 D HN 0.421 nan 8.370 nan 0.000 0.505 299 L N 1.377 122.603 121.223 0.004 0.000 2.559 299 L HA 0.377 4.717 4.340 0.001 0.000 0.274 299 L C -0.110 176.774 176.870 0.022 0.000 1.205 299 L CA 0.141 54.994 54.840 0.023 0.000 0.907 299 L CB 0.233 42.316 42.059 0.041 0.000 1.153 299 L HN 0.221 nan 8.230 nan 0.000 0.490 300 A N 4.340 127.173 122.820 0.021 0.000 2.469 300 A HA 1.004 5.325 4.320 0.001 0.000 0.299 300 A C -1.142 176.455 177.584 0.022 0.000 1.098 300 A CA -0.045 52.004 52.037 0.019 0.000 0.737 300 A CB 1.713 20.719 19.000 0.011 0.000 1.312 300 A HN 1.293 nan 8.150 nan 0.000 0.414 301 A N 0.043 122.878 122.820 0.024 0.000 2.555 301 A HA 0.784 5.105 4.320 0.001 0.000 0.297 301 A C -0.032 177.568 177.584 0.026 0.000 1.060 301 A CA 0.063 52.115 52.037 0.025 0.000 0.710 301 A CB 0.474 19.495 19.000 0.035 0.000 1.282 301 A HN 2.511 nan 8.150 nan 0.000 0.399 312 R N 1.613 122.126 120.500 0.020 0.000 2.638 312 R HA 0.586 4.927 4.340 0.001 0.000 0.268 312 R C -0.025 176.289 176.300 0.024 0.000 1.006 312 R CA 0.749 56.863 56.100 0.024 0.000 1.088 312 R CB -0.271 30.050 30.300 0.036 0.000 0.950 312 R HN 1.307 nan 8.270 nan 0.000 0.419 313 V N -0.158 119.768 119.914 0.020 0.000 3.158 313 V HA 0.724 4.844 4.120 0.001 0.000 0.311 313 V C 0.385 176.493 176.094 0.023 0.000 1.181 313 V CA -1.392 60.918 62.300 0.018 0.000 1.054 313 V CB 1.968 33.794 31.823 0.006 0.000 1.085 313 V HN 0.826 nan 8.190 nan 0.000 0.446 314 L N 2.541 123.778 121.223 0.023 0.000 2.525 314 L HA 0.179 4.519 4.340 0.001 0.000 0.278 314 L C 0.594 177.478 176.870 0.022 0.000 1.218 314 L CA 0.254 55.112 54.840 0.030 0.000 0.878 314 L CB -0.059 42.014 42.059 0.024 0.000 1.127 314 L HN 0.723 nan 8.230 nan 0.000 0.492 315 N N 3.546 122.268 118.700 0.036 0.000 2.518 315 N HA 0.120 4.860 4.740 0.001 0.000 0.266 315 N C -0.008 175.503 175.510 0.002 0.000 1.196 315 N CA -0.075 52.987 53.050 0.020 0.000 0.947 315 N CB 0.692 39.205 38.487 0.043 0.000 1.098 315 N HN 0.447 nan 8.380 nan 0.000 0.450 316 R N 0.833 121.314 120.500 -0.032 0.000 2.774 316 R HA 0.092 4.433 4.340 0.001 0.000 0.269 316 R C -0.038 176.221 176.300 -0.069 0.000 1.068 316 R CA -0.264 55.805 56.100 -0.052 0.000 1.180 316 R CB 0.401 30.654 30.300 -0.078 0.000 1.077 316 R HN 0.478 nan 8.270 nan 0.000 0.513 317 D N 0.934 121.292 120.400 -0.070 0.000 2.363 317 D HA 0.077 4.718 4.640 0.001 0.000 0.240 317 D C -0.055 176.128 176.300 -0.196 0.000 1.236 317 D CA 0.329 54.278 54.000 -0.086 0.000 0.927 317 D CB 0.620 41.392 40.800 -0.046 0.000 1.150 317 D HN 0.220 nan 8.370 nan 0.000 0.458 318 R N 1.274 121.619 120.500 -0.258 0.000 2.393 318 R HA 0.340 4.680 4.340 0.001 0.000 0.315 318 R C -0.496 175.460 176.300 -0.575 0.000 0.952 318 R CA -0.756 55.057 56.100 -0.478 0.000 0.842 318 R CB 1.033 30.967 30.300 -0.611 0.000 1.163 318 R HN 0.270 nan 8.270 nan 0.000 0.450 319 N N 2.819 121.098 118.700 -0.702 0.000 2.479 319 N HA 0.281 5.021 4.740 0.001 0.000 0.285 319 N C -0.959 173.944 175.510 -1.013 0.000 1.075 319 N CA 0.032 52.682 53.050 -0.668 0.000 0.967 319 N CB 1.130 39.360 38.487 -0.429 0.000 1.137 319 N HN 0.395 nan 8.380 nan 0.000 0.472 320 Y N -0.733 119.106 120.300 -0.768 0.000 2.634 320 Y HA 0.378 4.928 4.550 0.001 0.000 0.340 320 Y C 0.538 176.021 175.900 -0.694 0.000 1.058 320 Y CA -0.850 56.785 58.100 -0.775 0.000 1.081 320 Y CB 1.485 39.399 38.460 -0.911 0.000 1.295 320 Y HN 0.201 nan 8.280 nan 0.000 0.487 321 T N 1.628 115.933 114.554 -0.416 0.000 2.837 321 T HA 0.670 5.020 4.350 0.001 0.000 0.285 321 T C -0.181 174.401 174.700 -0.196 0.000 0.984 321 T CA -0.617 61.227 62.100 -0.426 0.000 1.049 321 T CB 0.811 69.191 68.868 -0.815 0.000 0.947 321 T HN 0.725 nan 8.240 nan 0.000 0.472 322 A N 4.617 127.509 122.820 0.120 0.000 2.322 322 A HA 0.569 4.889 4.320 0.001 0.000 0.269 322 A C -1.308 176.358 177.584 0.137 0.000 1.094 322 A CA -1.543 50.643 52.037 0.249 0.000 0.807 322 A CB 0.001 19.110 19.000 0.182 0.000 1.047 322 A HN 0.518 nan 8.150 nan 0.000 0.487 323 P HA -0.187 nan 4.420 nan 0.000 0.216 323 P C 1.544 178.947 177.300 0.173 0.000 1.154 323 P CA 2.262 65.407 63.100 0.076 0.000 0.865 323 P CB 0.105 31.724 31.700 -0.135 0.000 0.789 324 G N -2.162 106.693 108.800 0.090 0.000 2.464 324 G HA2 0.168 4.129 3.960 0.001 0.000 0.217 324 G HA3 0.168 4.129 3.960 0.001 0.000 0.217 324 G C 1.137 176.095 174.900 0.097 0.000 1.138 324 G CA 0.905 46.053 45.100 0.081 0.000 0.793 324 G HN 0.481 nan 8.290 nan 0.000 0.539 325 G N -1.964 106.900 108.800 0.106 0.000 2.902 325 G HA2 0.198 4.159 3.960 0.001 0.000 0.215 325 G HA3 0.198 4.159 3.960 0.001 0.000 0.215 325 G C 0.564 175.502 174.900 0.063 0.000 0.976 325 G CA 0.237 45.401 45.100 0.107 0.000 0.794 325 G HN 0.847 nan 8.290 nan 0.000 0.557 326 G N -0.623 108.215 108.800 0.064 0.000 2.671 326 G HA2 0.577 4.538 3.960 0.001 0.000 0.275 326 G HA3 0.577 4.538 3.960 0.001 0.000 0.275 326 G C -0.511 174.421 174.900 0.054 0.000 1.368 326 G CA -0.368 44.760 45.100 0.046 0.000 1.044 326 G HN 0.181 nan 8.290 nan 0.000 0.543 327 Q N -0.606 119.213 119.800 0.031 0.000 2.222 327 Q HA 0.577 4.918 4.340 0.001 0.000 0.252 327 Q C -0.818 175.259 176.000 0.129 0.000 0.926 327 Q CA -0.432 55.361 55.803 -0.015 0.000 0.899 327 Q CB 1.719 30.405 28.738 -0.086 0.000 1.250 327 Q HN 0.543 nan 8.270 nan 0.000 0.441 328 F N -2.401 117.529 119.950 -0.032 0.000 2.692 328 F HA 0.822 5.350 4.527 0.001 0.000 0.320 328 F C -0.808 174.997 175.800 0.008 0.000 1.123 328 F CA -0.994 57.001 58.000 -0.009 0.000 0.961 328 F CB 1.645 40.645 39.000 0.000 0.000 1.383 328 F HN 0.188 nan 8.300 nan 0.000 0.483 329 T N 2.544 117.173 114.554 0.126 0.000 2.937 329 T HA 0.548 4.898 4.350 0.001 0.000 0.297 329 T C -0.805 173.984 174.700 0.147 0.000 0.991 329 T CA -0.528 61.577 62.100 0.008 0.000 0.990 329 T CB 1.361 70.220 68.868 -0.016 0.000 0.991 329 T HN 0.625 nan 8.240 nan 0.000 0.440 330 L N 3.916 125.215 121.223 0.127 0.000 2.379 330 L HA 0.496 4.837 4.340 0.001 0.000 0.269 330 L C -2.207 174.759 176.870 0.160 0.000 1.084 330 L CA -2.538 52.410 54.840 0.179 0.000 0.802 330 L CB 0.725 42.900 42.059 0.194 0.000 1.175 330 L HN 0.311 nan 8.230 nan 0.000 0.448 331 P HA 0.064 nan 4.420 nan 0.000 0.271 331 P C 0.358 177.866 177.300 0.346 0.000 1.216 331 P CA -0.086 63.140 63.100 0.209 0.000 0.776 331 P CB 0.835 32.648 31.700 0.187 0.000 0.881 332 G N 2.441 111.375 108.800 0.222 0.000 2.887 332 G HA2 0.045 4.006 3.960 0.001 0.000 0.211 332 G HA3 0.045 4.006 3.960 0.001 0.000 0.211 332 G C 0.421 175.521 174.900 0.333 0.000 1.152 332 G CA 0.065 45.304 45.100 0.231 0.000 0.769 332 G HN 0.359 nan 8.290 nan 0.000 0.541 333 R N 0.064 120.705 120.500 0.234 0.000 2.740 333 R HA 0.543 4.884 4.340 0.001 0.000 0.282 333 R C -0.465 175.914 176.300 0.132 0.000 0.969 333 R CA -0.502 55.699 56.100 0.168 0.000 0.918 333 R CB 1.742 32.110 30.300 0.113 0.000 1.175 333 R HN 0.026 nan 8.270 nan 0.000 0.464 334 S N 1.874 117.632 115.700 0.098 0.000 2.568 334 S HA 0.062 4.532 4.470 0.001 0.000 0.282 334 S C -0.182 174.474 174.600 0.094 0.000 1.338 334 S CA -0.424 57.819 58.200 0.073 0.000 1.045 334 S CB 0.413 63.657 63.200 0.073 0.000 0.873 334 S HN 0.296 nan 8.310 nan 0.000 0.516 335 L N 4.365 125.635 121.223 0.078 0.000 2.380 335 L HA 0.369 4.709 4.340 0.001 0.000 0.273 335 L C -0.563 176.385 176.870 0.131 0.000 1.138 335 L CA 0.547 55.426 54.840 0.065 0.000 0.832 335 L CB 0.172 42.217 42.059 -0.023 0.000 1.124 335 L HN 0.705 nan 8.230 nan 0.000 0.454 336 M N 5.767 125.475 119.600 0.180 0.000 2.149 336 M HA 0.359 4.840 4.480 0.001 0.000 0.342 336 M C -0.888 175.628 176.300 0.360 0.000 1.068 336 M CA -0.389 55.117 55.300 0.344 0.000 0.991 336 M CB 1.398 34.275 32.600 0.460 0.000 1.596 336 M HN 0.354 nan 8.290 nan 0.000 0.439 337 F N 1.542 121.672 119.950 0.300 0.000 2.370 337 F HA 0.553 5.081 4.527 0.001 0.000 0.324 337 F C 0.199 176.058 175.800 0.099 0.000 1.116 337 F CA -0.644 57.523 58.000 0.278 0.000 1.123 337 F CB 1.050 40.190 39.000 0.234 0.000 1.238 337 F HN 0.228 nan 8.300 nan 0.000 0.536 338 V N 3.463 123.439 119.914 0.104 0.000 2.459 338 V HA 0.490 4.611 4.120 0.001 0.000 0.295 338 V C -0.571 175.550 176.094 0.045 0.000 1.029 338 V CA -0.888 61.256 62.300 -0.261 0.000 0.874 338 V CB 1.475 32.668 31.823 -1.049 0.000 0.985 338 V HN 0.766 nan 8.190 nan 0.000 0.438 339 R N 5.848 126.415 120.500 0.112 0.000 2.205 339 R HA 0.382 4.722 4.340 0.001 0.000 0.342 339 R C 0.223 176.631 176.300 0.180 0.000 1.058 339 R CA -0.051 56.147 56.100 0.164 0.000 0.904 339 R CB 0.094 30.497 30.300 0.172 0.000 1.089 339 R HN 0.901 nan 8.270 nan 0.000 0.471 340 N N 1.615 120.378 118.700 0.105 0.000 2.381 340 N HA 0.089 4.830 4.740 0.001 0.000 0.254 340 N C 0.079 175.659 175.510 0.117 0.000 1.264 340 N CA -0.674 52.414 53.050 0.064 0.000 0.942 340 N CB 1.083 39.593 38.487 0.040 0.000 1.190 340 N HN 0.314 nan 8.380 nan 0.000 0.495 341 V N -1.189 118.797 119.914 0.119 0.000 3.185 341 V HA 0.477 4.597 4.120 0.001 0.000 0.305 341 V C 0.993 177.116 176.094 0.048 0.000 1.090 341 V CA -0.463 61.902 62.300 0.108 0.000 1.107 341 V CB 0.488 32.393 31.823 0.136 0.000 1.061 341 V HN 0.694 nan 8.190 nan 0.000 0.480 342 G N 0.122 108.919 108.800 -0.005 0.000 2.494 342 G HA2 0.260 4.221 3.960 0.001 0.000 0.270 342 G HA3 0.260 4.221 3.960 0.001 0.000 0.270 342 G C 0.476 175.362 174.900 -0.024 0.000 1.423 342 G CA -0.151 44.890 45.100 -0.098 0.000 1.055 342 G HN 0.906 nan 8.290 nan 0.000 0.536 343 H N -0.984 118.103 119.070 0.029 0.000 2.548 343 H HA 0.038 4.595 4.556 0.001 0.000 0.268 343 H C 2.223 177.542 175.328 -0.014 0.000 0.975 343 H CA 0.359 56.405 56.048 -0.002 0.000 1.195 343 H CB 0.199 29.949 29.762 -0.021 0.000 1.397 343 H HN 0.218 nan 8.280 nan 0.000 0.572 344 L N -0.122 121.166 121.223 0.108 0.000 2.022 344 L HA 0.016 4.357 4.340 0.001 0.000 0.204 344 L C 0.799 177.801 176.870 0.220 0.000 1.076 344 L CA 1.076 55.981 54.840 0.109 0.000 0.749 344 L CB -0.113 41.916 42.059 -0.050 0.000 0.903 344 L HN -0.050 nan 8.230 nan 0.000 0.439 345 M N 0.904 120.579 119.600 0.126 0.000 2.243 345 M HA 0.206 4.687 4.480 0.001 0.000 0.341 345 M C 0.433 176.850 176.300 0.195 0.000 1.130 345 M CA 0.197 55.549 55.300 0.087 0.000 1.162 345 M CB 0.068 32.635 32.600 -0.055 0.000 1.497 345 M HN 0.415 nan 8.290 nan 0.000 0.456 346 T N -0.214 114.374 114.554 0.056 0.000 2.912 346 T HA 0.593 4.944 4.350 0.001 0.000 0.280 346 T C -0.213 174.535 174.700 0.080 0.000 0.989 346 T CA -0.935 61.156 62.100 -0.015 0.000 0.995 346 T CB 2.090 70.827 68.868 -0.218 0.000 1.077 346 T HN 0.671 nan 8.240 nan 0.000 0.531 347 N N 0.123 118.882 118.700 0.100 0.000 2.324 347 N HA 0.134 4.874 4.740 0.001 0.000 0.285 347 N C -0.942 174.641 175.510 0.123 0.000 1.076 347 N CA -0.436 52.703 53.050 0.148 0.000 0.864 347 N CB 2.382 40.989 38.487 0.201 0.000 1.632 347 N HN 0.871 nan 8.380 nan 0.000 0.478 348 D N 2.287 122.753 120.400 0.110 0.000 2.323 348 D HA 0.089 4.730 4.640 0.001 0.000 0.239 348 D C 1.175 177.537 176.300 0.104 0.000 1.129 348 D CA -0.095 53.958 54.000 0.088 0.000 0.865 348 D CB -0.091 40.749 40.800 0.067 0.000 0.913 348 D HN 0.494 nan 8.370 nan 0.000 0.517 349 A N 0.317 123.221 122.820 0.140 0.000 1.972 349 A HA 0.086 4.407 4.320 0.001 0.000 0.219 349 A C 1.190 178.889 177.584 0.192 0.000 1.169 349 A CA 0.683 52.820 52.037 0.167 0.000 0.635 349 A CB -0.237 18.894 19.000 0.218 0.000 0.810 349 A HN 0.402 nan 8.150 nan 0.000 0.446 350 I N -0.943 119.748 120.570 0.202 0.000 2.828 350 I HA 0.540 4.711 4.170 0.001 0.000 0.302 350 I C -0.624 175.564 176.117 0.119 0.000 1.101 350 I CA -1.166 60.243 61.300 0.183 0.000 1.031 350 I CB 2.439 40.601 38.000 0.270 0.000 1.231 350 I HN 0.074 nan 8.210 nan 0.000 0.427 351 V N -0.056 119.908 119.914 0.084 0.000 3.181 351 V HA 0.710 4.830 4.120 0.001 0.000 0.308 351 V C -1.275 174.844 176.094 0.042 0.000 1.214 351 V CA -0.763 61.567 62.300 0.050 0.000 1.053 351 V CB 1.946 33.787 31.823 0.031 0.000 1.069 351 V HN 0.869 nan 8.190 nan 0.000 0.441 352 D N -0.618 119.798 120.400 0.026 0.000 2.478 352 D HA 0.412 5.053 4.640 0.001 0.000 0.263 352 D C 1.319 177.626 176.300 0.013 0.000 1.153 352 D CA 0.297 54.311 54.000 0.024 0.000 1.038 352 D CB 0.934 41.748 40.800 0.024 0.000 1.120 352 D HN 0.877 nan 8.370 nan 0.000 0.564 353 T N -3.109 111.452 114.554 0.010 0.000 2.822 353 T HA -0.220 4.131 4.350 0.001 0.000 0.270 353 T C 0.802 175.503 174.700 0.002 0.000 1.064 353 T CA 1.422 63.525 62.100 0.003 0.000 1.131 353 T CB -0.588 68.282 68.868 0.003 0.000 0.858 353 T HN 0.672 nan 8.240 nan 0.000 0.483 354 D N 0.188 120.590 120.400 0.004 0.000 2.755 354 D HA 0.331 4.971 4.640 0.001 0.000 0.257 354 D C 1.317 177.617 176.300 0.001 0.000 1.291 354 D CA 0.078 54.079 54.000 0.002 0.000 0.836 354 D CB -0.148 40.653 40.800 0.002 0.000 1.059 354 D HN 0.517 nan 8.370 nan 0.000 0.486 355 G N 0.859 109.661 108.800 0.002 0.000 2.179 355 G HA2 -0.319 3.641 3.960 0.001 0.000 0.260 355 G HA3 -0.319 3.641 3.960 0.001 0.000 0.260 355 G C 0.420 175.319 174.900 -0.001 0.000 0.977 355 G CA 0.278 45.380 45.100 0.003 0.000 0.641 355 G HN 0.450 nan 8.290 nan 0.000 0.533 356 S N 1.149 116.844 115.700 -0.009 0.000 2.549 356 S HA 0.395 4.865 4.470 0.001 0.000 0.283 356 S C 0.425 175.005 174.600 -0.032 0.000 1.320 356 S CA -0.181 58.002 58.200 -0.028 0.000 1.058 356 S CB 1.310 64.486 63.200 -0.040 0.000 0.882 356 S HN 0.534 nan 8.310 nan 0.000 0.498 357 E N 1.070 121.241 120.200 -0.049 0.000 2.398 357 E HA 0.208 4.558 4.350 0.001 0.000 0.263 357 E C -0.493 176.045 176.600 -0.103 0.000 1.046 357 E CA -0.319 56.056 56.400 -0.041 0.000 0.908 357 E CB 0.572 30.255 29.700 -0.030 0.000 0.963 357 E HN 0.295 nan 8.360 nan 0.000 0.431 358 V N 3.203 123.100 119.914 -0.029 0.000 2.617 358 V HA 0.143 4.263 4.120 0.001 0.000 0.298 358 V C -0.094 175.993 176.094 -0.011 0.000 1.048 358 V CA -0.430 61.859 62.300 -0.019 0.000 0.964 358 V CB 0.637 32.524 31.823 0.107 0.000 1.004 358 V HN 0.517 nan 8.190 nan 0.000 0.466 359 F N 2.261 122.281 119.950 0.117 0.000 2.623 359 F HA -0.019 4.508 4.527 0.001 0.000 0.383 359 F C 1.612 177.501 175.800 0.149 0.000 1.077 359 F CA 0.675 58.751 58.000 0.127 0.000 1.268 359 F CB 0.380 39.462 39.000 0.137 0.000 1.053 359 F HN 0.697 nan 8.300 nan 0.000 0.571 360 E N 2.634 123.044 120.200 0.350 0.000 2.158 360 E HA -0.077 4.274 4.350 0.001 0.000 0.191 360 E C 2.247 179.002 176.600 0.258 0.000 0.982 360 E CA 0.913 57.483 56.400 0.282 0.000 0.823 360 E CB -0.097 29.750 29.700 0.246 0.000 0.766 360 E HN 0.924 nan 8.360 nan 0.000 0.468 361 G N 1.390 110.346 108.800 0.260 0.000 2.408 361 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 361 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 361 G C 1.576 176.574 174.900 0.163 0.000 1.150 361 G CA 0.628 45.843 45.100 0.192 0.000 0.776 361 G HN 0.229 nan 8.290 nan 0.000 0.542 362 I N 0.345 121.035 120.570 0.200 0.000 2.286 362 I HA -0.196 3.974 4.170 0.001 0.000 0.248 362 I C 2.902 179.018 176.117 -0.001 0.000 1.115 362 I CA 1.062 62.429 61.300 0.113 0.000 1.392 362 I CB -0.154 37.951 38.000 0.175 0.000 1.065 362 I HN 0.199 nan 8.210 nan 0.000 0.418 363 M N -0.149 119.488 119.600 0.062 0.000 2.156 363 M HA -0.171 4.310 4.480 0.001 0.000 0.264 363 M C 1.785 178.027 176.300 -0.096 0.000 1.067 363 M CA 1.582 56.852 55.300 -0.049 0.000 1.131 363 M CB -0.486 32.329 32.600 0.359 0.000 1.368 363 M HN 0.097 nan 8.290 nan 0.000 0.416 364 D N 0.918 121.386 120.400 0.115 0.000 2.133 364 D HA -0.143 4.497 4.640 0.001 0.000 0.195 364 D C 1.927 178.163 176.300 -0.107 0.000 0.997 364 D CA 1.743 55.777 54.000 0.056 0.000 0.840 364 D CB -0.158 40.660 40.800 0.030 0.000 0.947 364 D HN 0.336 nan 8.370 nan 0.000 0.452 365 A N 0.310 123.071 122.820 -0.098 0.000 1.858 365 A HA -0.133 4.188 4.320 0.001 0.000 0.216 365 A C 2.363 179.800 177.584 -0.245 0.000 1.190 365 A CA 1.058 53.009 52.037 -0.143 0.000 0.617 365 A CB -0.938 18.052 19.000 -0.015 0.000 0.827 365 A HN 0.216 nan 8.150 nan 0.000 0.443 366 L N -1.707 119.317 121.223 -0.332 0.000 1.978 366 L HA -0.281 4.060 4.340 0.001 0.000 0.218 366 L C 2.628 179.277 176.870 -0.367 0.000 1.075 366 L CA 2.201 56.770 54.840 -0.451 0.000 0.767 366 L CB -0.715 40.851 42.059 -0.822 0.000 0.890 366 L HN 0.523 nan 8.230 nan 0.000 0.434 367 F N -0.991 118.881 119.950 -0.130 0.000 2.219 367 F HA -0.128 4.399 4.527 0.001 0.000 0.294 367 F C 2.914 178.573 175.800 -0.236 0.000 1.086 367 F CA 0.932 58.762 58.000 -0.283 0.000 1.330 367 F CB -1.067 37.519 39.000 -0.689 0.000 1.047 367 F HN 0.142 nan 8.300 nan 0.000 0.495 368 T N -1.579 112.933 114.554 -0.070 0.000 2.759 368 T HA -0.126 4.225 4.350 0.001 0.000 0.269 368 T C 2.213 177.038 174.700 0.208 0.000 1.042 368 T CA 1.342 63.504 62.100 0.104 0.000 1.140 368 T CB -1.244 67.488 68.868 -0.226 0.000 0.864 368 T HN 0.320 nan 8.240 nan 0.000 0.455 369 G N 1.466 110.257 108.800 -0.014 0.000 2.402 369 G HA2 -0.027 3.934 3.960 0.001 0.000 0.216 369 G HA3 -0.027 3.934 3.960 0.001 0.000 0.216 369 G C 1.427 176.293 174.900 -0.056 0.000 1.162 369 G CA 0.874 45.927 45.100 -0.078 0.000 0.777 369 G HN 0.498 nan 8.290 nan 0.000 0.539 370 L N 0.979 122.167 121.223 -0.059 0.000 1.955 370 L HA -0.042 4.299 4.340 0.001 0.000 0.213 370 L C 2.709 179.505 176.870 -0.124 0.000 1.072 370 L CA 1.676 56.435 54.840 -0.135 0.000 0.755 370 L CB -0.603 41.334 42.059 -0.203 0.000 0.888 370 L HN 0.260 nan 8.230 nan 0.000 0.432 371 I N -0.149 120.436 120.570 0.025 0.000 2.264 371 I HA -0.326 3.844 4.170 0.001 0.000 0.248 371 I C 2.551 178.640 176.117 -0.048 0.000 1.111 371 I CA 1.201 62.549 61.300 0.081 0.000 1.382 371 I CB -0.675 37.462 38.000 0.228 0.000 1.060 371 I HN 0.457 nan 8.210 nan 0.000 0.418 372 A N 0.993 123.810 122.820 -0.006 0.000 2.019 372 A HA -0.167 4.154 4.320 0.001 0.000 0.219 372 A C 2.247 179.741 177.584 -0.150 0.000 1.164 372 A CA 1.252 53.253 52.037 -0.060 0.000 0.644 372 A CB -0.764 18.326 19.000 0.149 0.000 0.805 372 A HN 0.429 nan 8.150 nan 0.000 0.449 373 I N -0.727 119.709 120.570 -0.224 0.000 2.194 373 I HA -0.302 3.868 4.170 0.001 0.000 0.246 373 I C 2.202 178.136 176.117 -0.306 0.000 1.093 373 I CA 1.413 62.534 61.300 -0.299 0.000 1.355 373 I CB -0.777 36.984 38.000 -0.399 0.000 1.046 373 I HN 0.437 nan 8.210 nan 0.000 0.413 374 H N 0.449 119.429 119.070 -0.150 0.000 2.489 374 H HA -0.063 4.493 4.556 0.001 0.000 0.293 374 H C 2.280 177.523 175.328 -0.141 0.000 1.066 374 H CA 1.397 57.359 56.048 -0.143 0.000 1.305 374 H CB -0.458 29.212 29.762 -0.154 0.000 1.386 374 H HN 0.424 nan 8.280 nan 0.000 0.551 375 G N 0.392 109.146 108.800 -0.077 0.000 2.712 375 G HA2 0.006 3.967 3.960 0.001 0.000 0.212 375 G HA3 0.006 3.967 3.960 0.001 0.000 0.212 375 G C 1.621 176.479 174.900 -0.070 0.000 1.142 375 G CA -0.146 44.896 45.100 -0.096 0.000 0.789 375 G HN 0.276 nan 8.290 nan 0.000 0.535 376 L N -0.224 120.949 121.223 -0.084 0.000 2.492 376 L HA 0.249 4.590 4.340 0.001 0.000 0.223 376 L C 0.960 177.795 176.870 -0.058 0.000 1.132 376 L CA 0.381 55.176 54.840 -0.075 0.000 0.850 376 L CB -0.285 41.713 42.059 -0.102 0.000 0.966 376 L HN 0.170 nan 8.230 nan 0.000 0.454 377 K N 0.438 120.808 120.400 -0.050 0.000 2.533 377 K HA 0.720 5.040 4.320 0.001 0.000 0.272 377 K C -1.448 175.138 176.600 -0.024 0.000 0.985 377 K CA -0.691 55.574 56.287 -0.036 0.000 0.876 377 K CB 2.521 34.996 32.500 -0.042 0.000 1.452 377 K HN -0.203 nan 8.250 nan 0.000 0.439 378 A N 0.810 123.618 122.820 -0.021 0.000 2.285 378 A HA 0.616 4.937 4.320 0.001 0.000 0.310 378 A C -0.428 177.145 177.584 -0.019 0.000 1.266 378 A CA -0.239 51.786 52.037 -0.019 0.000 0.832 378 A CB 0.236 19.225 19.000 -0.018 0.000 1.163 378 A HN 0.990 nan 8.150 nan 0.000 0.499 379 S N 0.759 116.448 115.700 -0.018 0.000 2.790 379 S HA 0.441 4.912 4.470 0.001 0.000 0.292 379 S C -0.087 174.499 174.600 -0.023 0.000 1.197 379 S CA -0.322 57.867 58.200 -0.019 0.000 0.851 379 S CB 0.747 63.938 63.200 -0.016 0.000 1.217 379 S HN 0.385 nan 8.310 nan 0.000 0.526 380 D N 0.383 120.768 120.400 -0.024 0.000 2.162 380 D HA -0.014 4.627 4.640 0.001 0.000 0.203 380 D C 2.054 178.331 176.300 -0.038 0.000 0.967 380 D CA 1.426 55.408 54.000 -0.031 0.000 0.840 380 D CB -0.077 40.706 40.800 -0.028 0.000 0.972 380 D HN 0.370 nan 8.370 nan 0.000 0.482 381 V N 1.902 121.799 119.914 -0.029 0.000 2.244 381 V HA -0.179 3.941 4.120 0.001 0.000 0.244 381 V C 1.743 177.816 176.094 -0.035 0.000 1.042 381 V CA 1.289 63.570 62.300 -0.032 0.000 1.006 381 V CB -0.673 31.145 31.823 -0.009 0.000 0.641 381 V HN 0.119 nan 8.190 nan 0.000 0.446 382 N N 1.020 119.731 118.700 0.018 0.000 2.521 382 N HA 0.159 4.899 4.740 0.001 0.000 0.188 382 N C 1.074 176.569 175.510 -0.025 0.000 1.146 382 N CA 1.038 54.131 53.050 0.072 0.000 0.893 382 N CB 0.092 38.636 38.487 0.095 0.000 0.975 382 N HN 0.683 nan 8.380 nan 0.000 0.451 383 G N 1.561 110.328 108.800 -0.054 0.000 2.860 383 G HA2 -0.195 3.766 3.960 0.001 0.000 0.553 383 G HA3 -0.195 3.766 3.960 0.001 0.000 0.553 383 G C -2.063 172.816 174.900 -0.036 0.000 1.439 383 G CA -0.269 44.797 45.100 -0.056 0.000 0.879 383 G HN 0.089 nan 8.290 nan 0.000 0.545 384 P HA 0.150 nan 4.420 nan 0.000 0.239 384 P C 1.289 178.575 177.300 -0.024 0.000 1.188 384 P CA 0.157 63.240 63.100 -0.027 0.000 0.794 384 P CB 0.309 31.993 31.700 -0.027 0.000 0.937 385 L N 0.976 122.182 121.223 -0.028 0.000 2.525 385 L HA 0.115 4.455 4.340 0.001 0.000 0.278 385 L C -0.032 176.824 176.870 -0.024 0.000 1.218 385 L CA 0.393 55.218 54.840 -0.025 0.000 0.878 385 L CB -0.061 41.977 42.059 -0.034 0.000 1.127 385 L HN -0.175 nan 8.230 nan 0.000 0.492 386 I N 4.713 125.276 120.570 -0.012 0.000 2.474 386 I HA 0.248 4.418 4.170 0.001 0.000 0.294 386 I C 0.133 176.253 176.117 0.005 0.000 1.005 386 I CA -0.532 60.762 61.300 -0.009 0.000 1.113 386 I CB 1.897 39.896 38.000 -0.001 0.000 1.289 386 I HN 0.672 nan 8.210 nan 0.000 0.436 387 N N 2.162 120.865 118.700 0.006 0.000 2.463 387 N HA 0.033 4.774 4.740 0.001 0.000 0.183 387 N C -0.011 175.548 175.510 0.082 0.000 1.064 387 N CA 0.321 53.395 53.050 0.039 0.000 0.879 387 N CB 0.730 39.234 38.487 0.029 0.000 1.148 387 N HN 0.502 nan 8.380 nan 0.000 0.451 388 S N -0.329 115.409 115.700 0.063 0.000 2.647 388 S HA 0.391 4.861 4.470 0.001 0.000 0.300 388 S C 0.544 175.172 174.600 0.046 0.000 1.129 388 S CA -0.676 57.581 58.200 0.095 0.000 1.029 388 S CB 0.730 63.963 63.200 0.055 0.000 1.007 388 S HN 0.224 nan 8.310 nan 0.000 0.484 389 R N 1.965 122.500 120.500 0.058 0.000 2.159 389 R HA -0.049 4.291 4.340 0.001 0.000 0.237 389 R C 0.866 177.178 176.300 0.020 0.000 1.131 389 R CA 1.812 57.934 56.100 0.036 0.000 0.982 389 R CB -0.330 29.997 30.300 0.044 0.000 0.868 389 R HN 0.656 nan 8.270 nan 0.000 0.453 390 T N -1.960 112.607 114.554 0.023 0.000 3.215 390 T HA 0.282 4.632 4.350 0.001 0.000 0.271 390 T C 0.942 175.619 174.700 -0.038 0.000 1.012 390 T CA 0.122 62.222 62.100 0.000 0.000 0.899 390 T CB 1.215 70.094 68.868 0.018 0.000 1.089 390 T HN 0.386 nan 8.240 nan 0.000 0.552 391 G N 1.645 110.413 108.800 -0.053 0.000 2.233 391 G HA2 -0.284 3.676 3.960 0.001 0.000 0.270 391 G HA3 -0.284 3.676 3.960 0.001 0.000 0.270 391 G C 0.232 175.032 174.900 -0.167 0.000 1.011 391 G CA 0.305 45.348 45.100 -0.095 0.000 0.762 391 G HN 0.585 nan 8.290 nan 0.000 0.511 392 S N -0.664 114.893 115.700 -0.239 0.000 2.584 392 S HA 0.671 5.141 4.470 0.001 0.000 0.273 392 S C 0.577 174.756 174.600 -0.702 0.000 1.311 392 S CA -0.281 57.626 58.200 -0.488 0.000 1.034 392 S CB 1.041 63.875 63.200 -0.610 0.000 0.939 392 S HN 0.356 nan 8.310 nan 0.000 0.513 393 I N 2.497 122.668 120.570 -0.665 0.000 2.474 393 I HA 0.351 4.522 4.170 0.001 0.000 0.294 393 I C -1.381 174.398 176.117 -0.563 0.000 1.005 393 I CA -0.643 60.376 61.300 -0.470 0.000 1.113 393 I CB 1.403 39.257 38.000 -0.243 0.000 1.289 393 I HN 0.606 nan 8.210 nan 0.000 0.436 394 Y N 6.426 126.680 120.300 -0.076 0.000 2.345 394 Y HA 0.549 5.100 4.550 0.001 0.000 0.331 394 Y C -0.176 175.792 175.900 0.112 0.000 0.959 394 Y CA -0.589 57.430 58.100 -0.135 0.000 1.204 394 Y CB 1.266 39.282 38.460 -0.740 0.000 1.135 394 Y HN 0.317 nan 8.280 nan 0.000 0.477 395 I N 4.246 125.003 120.570 0.312 0.000 2.389 395 I HA 0.334 4.505 4.170 0.001 0.000 0.288 395 I C -0.719 175.579 176.117 0.302 0.000 0.999 395 I CA -1.006 60.461 61.300 0.278 0.000 1.129 395 I CB 1.480 39.580 38.000 0.167 0.000 1.288 395 I HN 0.272 nan 8.210 nan 0.000 0.444 396 V N 6.183 126.255 119.914 0.263 0.000 2.461 396 V HA 0.236 4.356 4.120 0.001 0.000 0.275 396 V C 0.083 176.257 176.094 0.134 0.000 1.047 396 V CA -0.421 61.959 62.300 0.135 0.000 0.955 396 V CB 1.205 33.167 31.823 0.233 0.000 0.988 396 V HN 0.553 nan 8.190 nan 0.000 0.471 397 K N 8.158 128.599 120.400 0.069 0.000 2.449 397 K HA 0.529 4.849 4.320 0.001 0.000 0.257 397 K C -2.682 173.933 176.600 0.026 0.000 0.989 397 K CA -1.823 54.480 56.287 0.026 0.000 0.916 397 K CB 1.788 34.250 32.500 -0.064 0.000 1.136 397 K HN 0.406 nan 8.250 nan 0.000 0.439 398 P HA 0.283 nan 4.420 nan 0.000 0.283 398 P C -1.057 176.256 177.300 0.022 0.000 1.271 398 P CA -0.369 62.778 63.100 0.077 0.000 0.841 398 P CB 1.019 32.790 31.700 0.118 0.000 1.122 399 K N -1.255 119.182 120.400 0.061 0.000 3.209 399 K HA -0.155 4.165 4.320 0.001 0.000 0.289 399 K C 0.279 176.959 176.600 0.133 0.000 1.191 399 K CA 0.584 56.930 56.287 0.098 0.000 0.851 399 K CB -1.639 30.898 32.500 0.062 0.000 1.242 399 K HN 0.538 nan 8.250 nan 0.000 0.480 400 M N 0.887 120.523 119.600 0.060 0.000 2.238 400 M HA 0.094 4.575 4.480 0.001 0.000 0.347 400 M C 0.444 176.801 176.300 0.094 0.000 1.173 400 M CA 0.448 55.824 55.300 0.127 0.000 1.147 400 M CB 0.503 33.136 32.600 0.055 0.000 1.547 400 M HN 0.057 nan 8.290 nan 0.000 0.455 401 H N 2.040 121.159 119.070 0.081 0.000 2.691 401 H HA 0.406 4.962 4.556 0.001 0.000 0.281 401 H C 0.534 175.843 175.328 -0.031 0.000 1.121 401 H CA -0.007 56.046 56.048 0.008 0.000 1.254 401 H CB 0.604 30.358 29.762 -0.013 0.000 1.390 401 H HN 1.000 nan 8.280 nan 0.000 0.491 402 G N 4.158 112.973 108.800 0.024 0.000 2.828 402 G HA2 -0.222 3.738 3.960 0.001 0.000 0.463 402 G HA3 -0.222 3.738 3.960 0.001 0.000 0.463 402 G C -1.982 172.932 174.900 0.023 0.000 1.394 402 G CA -0.675 44.420 45.100 -0.008 0.000 0.862 402 G HN 0.388 nan 8.290 nan 0.000 0.540 403 P HA 0.109 nan 4.420 nan 0.000 0.224 403 P C 1.941 179.250 177.300 0.014 0.000 1.157 403 P CA 2.225 65.333 63.100 0.013 0.000 0.799 403 P CB -0.095 31.605 31.700 0.000 0.000 0.809 404 A N 0.980 123.802 122.820 0.003 0.000 1.933 404 A HA -0.188 4.132 4.320 0.001 0.000 0.218 404 A C 2.148 179.758 177.584 0.043 0.000 1.175 404 A CA 1.414 53.452 52.037 0.002 0.000 0.628 404 A CB -1.139 17.843 19.000 -0.030 0.000 0.814 404 A HN 0.185 nan 8.150 nan 0.000 0.444 405 E N -0.322 119.922 120.200 0.072 0.000 2.208 405 E HA -0.073 4.278 4.350 0.001 0.000 0.193 405 E C 1.919 178.675 176.600 0.260 0.000 0.988 405 E CA 0.998 57.510 56.400 0.186 0.000 0.828 405 E CB -0.188 29.669 29.700 0.263 0.000 0.763 405 E HN 0.450 nan 8.360 nan 0.000 0.478 406 V N 1.646 121.633 119.914 0.120 0.000 2.307 406 V HA -0.247 3.874 4.120 0.001 0.000 0.245 406 V C 2.457 178.550 176.094 -0.001 0.000 1.045 406 V CA 1.782 64.108 62.300 0.043 0.000 1.024 406 V CB -0.776 31.059 31.823 0.020 0.000 0.651 406 V HN 0.280 nan 8.190 nan 0.000 0.449 407 A N -0.228 122.601 122.820 0.016 0.000 1.927 407 A HA -0.309 4.012 4.320 0.001 0.000 0.220 407 A C 2.128 179.718 177.584 0.009 0.000 1.185 407 A CA 2.460 54.496 52.037 -0.001 0.000 0.639 407 A CB -0.766 18.241 19.000 0.011 0.000 0.820 407 A HN 0.581 nan 8.150 nan 0.000 0.451 408 F N 1.042 120.945 119.950 -0.078 0.000 2.163 408 F HA -0.070 4.458 4.527 0.001 0.000 0.297 408 F C 2.411 178.161 175.800 -0.084 0.000 1.094 408 F CA 2.108 60.047 58.000 -0.103 0.000 1.290 408 F CB -0.757 38.124 39.000 -0.197 0.000 1.017 408 F HN 0.181 nan 8.300 nan 0.000 0.483 409 T N 0.028 114.462 114.554 -0.200 0.000 2.720 409 T HA -0.242 4.109 4.350 0.001 0.000 0.268 409 T C 2.191 176.492 174.700 -0.665 0.000 1.037 409 T CA 1.719 63.541 62.100 -0.465 0.000 1.144 409 T CB -1.078 67.548 68.868 -0.403 0.000 0.864 409 T HN 0.421 nan 8.240 nan 0.000 0.444 410 C N 1.063 120.117 119.300 -0.409 0.000 2.436 410 C HA -0.039 4.421 4.460 0.001 0.000 0.277 410 C C 2.797 177.681 174.990 -0.178 0.000 1.241 410 C CA 0.739 59.584 59.018 -0.289 0.000 1.721 410 C CB -1.004 26.646 27.740 -0.150 0.000 2.043 410 C HN 0.566 nan 8.230 nan 0.000 0.472 411 E N 1.062 121.159 120.200 -0.171 0.000 2.086 411 E HA -0.234 4.116 4.350 0.001 0.000 0.200 411 E C 1.866 178.366 176.600 -0.168 0.000 1.012 411 E CA 1.364 57.682 56.400 -0.136 0.000 0.812 411 E CB -0.621 29.022 29.700 -0.094 0.000 0.743 411 E HN 0.504 nan 8.360 nan 0.000 0.453 412 L N -0.359 120.662 121.223 -0.336 0.000 1.994 412 L HA -0.120 4.220 4.340 0.001 0.000 0.208 412 L C 2.121 179.030 176.870 0.065 0.000 1.071 412 L CA 1.797 56.495 54.840 -0.238 0.000 0.745 412 L CB -0.922 40.893 42.059 -0.406 0.000 0.892 412 L HN 0.107 nan 8.230 nan 0.000 0.431 413 F N -0.080 119.755 119.950 -0.191 0.000 2.115 413 F HA -0.269 4.259 4.527 0.001 0.000 0.300 413 F C 3.084 178.817 175.800 -0.112 0.000 1.092 413 F CA 1.499 59.419 58.000 -0.135 0.000 1.245 413 F CB -1.673 37.259 39.000 -0.113 0.000 0.995 413 F HN 0.346 nan 8.300 nan 0.000 0.481 414 S N -0.346 115.415 115.700 0.103 0.000 2.368 414 S HA -0.130 4.341 4.470 0.001 0.000 0.224 414 S C 2.356 176.951 174.600 -0.008 0.000 1.029 414 S CA 0.728 58.944 58.200 0.027 0.000 0.988 414 S CB -0.042 63.162 63.200 0.006 0.000 0.838 414 S HN 0.146 nan 8.310 nan 0.000 0.462 415 R N 0.785 121.274 120.500 -0.018 0.000 2.081 415 R HA 0.044 4.384 4.340 0.001 0.000 0.235 415 R C 2.320 178.587 176.300 -0.056 0.000 1.131 415 R CA 1.236 57.313 56.100 -0.038 0.000 0.960 415 R CB -1.505 28.768 30.300 -0.045 0.000 0.856 415 R HN 0.419 nan 8.270 nan 0.000 0.436 416 V N 1.277 121.153 119.914 -0.064 0.000 2.515 416 V HA -0.186 3.934 4.120 0.001 0.000 0.250 416 V C 2.089 178.126 176.094 -0.094 0.000 1.058 416 V CA 1.559 63.798 62.300 -0.101 0.000 1.064 416 V CB -0.383 31.356 31.823 -0.139 0.000 0.675 416 V HN 0.338 nan 8.190 nan 0.000 0.461 417 E N -0.164 119.987 120.200 -0.082 0.000 2.072 417 E HA -0.198 4.152 4.350 0.001 0.000 0.191 417 E C 1.976 178.540 176.600 -0.060 0.000 0.985 417 E CA 1.330 57.682 56.400 -0.080 0.000 0.801 417 E CB -0.128 29.532 29.700 -0.067 0.000 0.750 417 E HN 0.578 nan 8.360 nan 0.000 0.452 418 D N 0.126 120.497 120.400 -0.048 0.000 2.104 418 D HA -0.160 4.481 4.640 0.001 0.000 0.194 418 D C 2.055 178.333 176.300 -0.037 0.000 0.994 418 D CA 1.149 55.126 54.000 -0.039 0.000 0.830 418 D CB -0.351 40.429 40.800 -0.033 0.000 0.959 418 D HN 0.055 nan 8.370 nan 0.000 0.452 419 V N 0.997 120.885 119.914 -0.045 0.000 2.407 419 V HA -0.192 3.928 4.120 0.001 0.000 0.248 419 V C 2.524 178.623 176.094 0.010 0.000 1.055 419 V CA 1.118 63.399 62.300 -0.032 0.000 1.049 419 V CB -0.562 31.212 31.823 -0.081 0.000 0.662 419 V HN 0.210 nan 8.190 nan 0.000 0.455 420 L N 0.577 121.790 121.223 -0.016 0.000 2.395 420 L HA 0.224 4.565 4.340 0.001 0.000 0.218 420 L C 1.732 178.569 176.870 -0.056 0.000 1.130 420 L CA 0.872 55.690 54.840 -0.037 0.000 0.826 420 L CB -0.839 41.173 42.059 -0.079 0.000 0.941 420 L HN 0.592 nan 8.230 nan 0.000 0.451 421 G N 1.258 110.030 108.800 -0.047 0.000 2.246 421 G HA2 -0.266 3.694 3.960 0.001 0.000 0.273 421 G HA3 -0.266 3.694 3.960 0.001 0.000 0.273 421 G C -0.070 174.794 174.900 -0.060 0.000 1.055 421 G CA -0.086 44.986 45.100 -0.047 0.000 0.851 421 G HN 0.230 nan 8.290 nan 0.000 0.500 422 L N -0.087 121.095 121.223 -0.068 0.000 2.334 422 L HA 0.481 4.821 4.340 0.001 0.000 0.275 422 L C -1.664 175.167 176.870 -0.065 0.000 1.036 422 L CA -2.450 52.344 54.840 -0.078 0.000 0.807 422 L CB 1.337 43.336 42.059 -0.101 0.000 1.231 422 L HN -0.103 nan 8.230 nan 0.000 0.438 423 P HA -0.019 nan 4.420 nan 0.000 0.265 423 P C -0.784 176.486 177.300 -0.050 0.000 1.187 423 P CA -0.183 62.887 63.100 -0.050 0.000 0.766 423 P CB 0.318 31.987 31.700 -0.051 0.000 0.820 424 Q N 2.790 122.569 119.800 -0.036 0.000 2.361 424 Q HA 0.003 4.344 4.340 0.001 0.000 0.276 424 Q C 0.606 176.590 176.000 -0.026 0.000 1.022 424 Q CA 0.669 56.455 55.803 -0.027 0.000 0.898 424 Q CB 0.133 28.860 28.738 -0.017 0.000 1.246 424 Q HN 0.465 nan 8.270 nan 0.000 0.410 425 N N 0.347 119.037 118.700 -0.017 0.000 2.948 425 N HA -0.155 4.585 4.740 0.001 0.000 0.239 425 N C 0.664 176.149 175.510 -0.043 0.000 0.954 425 N CA 1.296 54.342 53.050 -0.007 0.000 0.941 425 N CB -1.466 37.021 38.487 -0.001 0.000 1.101 425 N HN 0.525 nan 8.380 nan 0.000 0.579 426 T N 0.622 115.129 114.554 -0.078 0.000 2.737 426 T HA -0.056 4.295 4.350 0.001 0.000 0.269 426 T C 1.041 175.629 174.700 -0.186 0.000 1.040 426 T CA 1.046 63.066 62.100 -0.133 0.000 1.142 426 T CB -0.055 68.731 68.868 -0.138 0.000 0.861 426 T HN 0.298 nan 8.240 nan 0.000 0.456 427 M N 2.425 121.928 119.600 -0.160 0.000 2.201 427 M HA 0.199 4.679 4.480 0.001 0.000 0.345 427 M C -0.279 176.029 176.300 0.014 0.000 1.352 427 M CA -0.260 54.911 55.300 -0.214 0.000 1.218 427 M CB 0.533 32.844 32.600 -0.481 0.000 1.512 427 M HN -0.174 nan 8.290 nan 0.000 0.447 428 K N 3.304 123.694 120.400 -0.017 0.000 2.118 428 K HA 0.539 4.859 4.320 0.001 0.000 0.264 428 K C -0.653 176.096 176.600 0.249 0.000 1.000 428 K CA -0.411 55.946 56.287 0.116 0.000 0.929 428 K CB 1.919 34.489 32.500 0.118 0.000 1.021 428 K HN 0.706 nan 8.250 nan 0.000 0.463 429 I N 0.441 121.129 120.570 0.197 0.000 2.418 429 I HA 0.311 4.482 4.170 0.001 0.000 0.287 429 I C -0.301 175.776 176.117 -0.066 0.000 1.008 429 I CA -0.565 60.813 61.300 0.130 0.000 1.104 429 I CB 1.493 39.509 38.000 0.027 0.000 1.264 429 I HN 0.599 nan 8.210 nan 0.000 0.438 430 G N 8.244 116.864 108.800 -0.301 0.000 2.327 430 G HA2 0.468 4.428 3.960 0.001 0.000 0.302 430 G HA3 0.468 4.428 3.960 0.001 0.000 0.302 430 G C -0.473 174.031 174.900 -0.660 0.000 1.113 430 G CA -0.449 43.905 45.100 -1.244 0.000 0.921 430 G HN 0.607 nan 8.290 nan 0.000 0.425 431 I N 4.012 124.422 120.570 -0.268 0.000 2.301 431 I HA 0.119 4.289 4.170 0.001 0.000 0.292 431 I C 0.241 176.506 176.117 0.247 0.000 1.046 431 I CA -0.634 60.696 61.300 0.049 0.000 1.282 431 I CB 1.194 39.259 38.000 0.110 0.000 1.409 431 I HN 0.157 nan 8.210 nan 0.000 0.484 432 M N 5.157 124.893 119.600 0.228 0.000 2.217 432 M HA 0.057 4.537 4.480 0.001 0.000 0.352 432 M C -0.028 176.369 176.300 0.161 0.000 1.376 432 M CA 0.028 55.464 55.300 0.227 0.000 1.107 432 M CB -0.094 32.620 32.600 0.191 0.000 1.723 432 M HN 0.374 nan 8.290 nan 0.000 0.461 433 D N 4.004 124.502 120.400 0.164 0.000 2.479 433 D HA 0.189 4.830 4.640 0.001 0.000 0.218 433 D C 0.347 176.807 176.300 0.267 0.000 1.131 433 D CA 0.013 54.128 54.000 0.192 0.000 0.916 433 D CB 0.358 41.271 40.800 0.188 0.000 1.022 433 D HN 0.776 nan 8.370 nan 0.000 0.515 434 E N 1.963 122.257 120.200 0.156 0.000 2.767 434 E HA 0.119 4.470 4.350 0.001 0.000 0.192 434 E C -0.631 175.955 176.600 -0.022 0.000 0.938 434 E CA -0.562 55.900 56.400 0.104 0.000 1.312 434 E CB 0.329 30.085 29.700 0.094 0.000 1.072 434 E HN 0.075 nan 8.360 nan 0.000 0.511 435 E N 1.316 121.457 120.200 -0.098 0.000 2.248 435 E HA 0.256 4.606 4.350 0.001 0.000 0.267 435 E C -0.062 176.433 176.600 -0.175 0.000 0.877 435 E CA -0.641 55.599 56.400 -0.266 0.000 0.759 435 E CB 2.299 31.564 29.700 -0.726 0.000 1.182 435 E HN 0.098 nan 8.360 nan 0.000 0.418 436 R N 1.954 122.366 120.500 -0.146 0.000 2.127 436 R HA -0.128 4.212 4.340 0.001 0.000 0.238 436 R C 1.811 178.088 176.300 -0.038 0.000 1.134 436 R CA 1.655 57.723 56.100 -0.052 0.000 0.975 436 R CB 0.151 30.450 30.300 -0.000 0.000 0.865 436 R HN 0.307 nan 8.270 nan 0.000 0.447 437 R N -0.810 119.583 120.500 -0.177 0.000 2.236 437 R HA 0.007 4.347 4.340 0.001 0.000 0.208 437 R C 1.326 177.533 176.300 -0.154 0.000 1.036 437 R CA 1.394 57.282 56.100 -0.353 0.000 1.001 437 R CB 0.142 30.138 30.300 -0.507 0.000 0.896 437 R HN 0.150 nan 8.270 nan 0.000 0.464 438 T N -0.748 113.756 114.554 -0.083 0.000 2.852 438 T HA -0.025 4.325 4.350 0.001 0.000 0.256 438 T C 1.490 176.240 174.700 0.083 0.000 1.038 438 T CA 1.540 63.643 62.100 0.005 0.000 1.141 438 T CB -0.042 68.832 68.868 0.011 0.000 0.869 438 T HN 0.264 nan 8.240 nan 0.000 0.439 439 T N 2.572 117.194 114.554 0.113 0.000 2.699 439 T HA -0.121 4.229 4.350 0.001 0.000 0.268 439 T C 2.110 176.908 174.700 0.163 0.000 1.036 439 T CA 1.713 63.947 62.100 0.224 0.000 1.147 439 T CB -0.500 68.528 68.868 0.266 0.000 0.862 439 T HN 0.424 nan 8.240 nan 0.000 0.446 440 V N -0.582 119.385 119.914 0.088 0.000 3.461 440 V HA 0.228 4.349 4.120 0.001 0.000 0.267 440 V C 0.836 176.981 176.094 0.085 0.000 1.186 440 V CA 0.845 63.181 62.300 0.059 0.000 1.154 440 V CB -0.389 31.491 31.823 0.095 0.000 0.802 440 V HN 0.323 nan 8.190 nan 0.000 0.474 441 N N -0.007 118.749 118.700 0.094 0.000 2.377 441 N HA 0.246 4.986 4.740 0.001 0.000 0.259 441 N C 0.896 176.476 175.510 0.115 0.000 1.332 441 N CA 0.023 53.123 53.050 0.084 0.000 0.877 441 N CB 1.397 39.898 38.487 0.023 0.000 1.299 441 N HN 0.418 nan 8.380 nan 0.000 0.501 442 L N 1.530 122.864 121.223 0.185 0.000 2.017 442 L HA -0.033 4.308 4.340 0.001 0.000 0.208 442 L C 2.260 179.200 176.870 0.117 0.000 1.073 442 L CA 1.981 56.911 54.840 0.151 0.000 0.745 442 L CB -0.313 41.848 42.059 0.171 0.000 0.894 442 L HN 0.029 nan 8.230 nan 0.000 0.432 443 K N -0.583 119.888 120.400 0.118 0.000 2.034 443 K HA -0.257 4.064 4.320 0.001 0.000 0.214 443 K C 2.000 178.720 176.600 0.201 0.000 1.051 443 K CA 1.832 58.220 56.287 0.168 0.000 0.931 443 K CB -0.402 32.192 32.500 0.157 0.000 0.715 443 K HN 0.493 nan 8.250 nan 0.000 0.446 444 A N 0.599 123.490 122.820 0.118 0.000 1.940 444 A HA -0.195 4.126 4.320 0.001 0.000 0.219 444 A C 2.438 180.041 177.584 0.031 0.000 1.176 444 A CA 1.800 53.865 52.037 0.046 0.000 0.631 444 A CB -0.944 18.073 19.000 0.029 0.000 0.814 444 A HN 0.594 nan 8.150 nan 0.000 0.446 445 C N -0.821 118.519 119.300 0.066 0.000 2.453 445 C HA -0.032 4.428 4.460 0.001 0.000 0.277 445 C C 2.542 177.584 174.990 0.085 0.000 1.262 445 C CA 0.817 59.872 59.018 0.062 0.000 1.718 445 C CB -1.336 26.450 27.740 0.075 0.000 2.031 445 C HN 0.640 nan 8.230 nan 0.000 0.480 446 I N 1.159 121.823 120.570 0.156 0.000 2.118 446 I HA -0.278 3.892 4.170 0.001 0.000 0.241 446 I C 2.614 178.834 176.117 0.171 0.000 1.070 446 I CA 1.876 63.331 61.300 0.258 0.000 1.327 446 I CB -0.532 37.706 38.000 0.395 0.000 1.034 446 I HN 0.358 nan 8.210 nan 0.000 0.405 447 K N 1.253 121.643 120.400 -0.017 0.000 2.152 447 K HA -0.193 4.127 4.320 0.001 0.000 0.206 447 K C 2.064 178.502 176.600 -0.271 0.000 1.048 447 K CA 1.485 57.430 56.287 -0.571 0.000 0.933 447 K CB -0.124 31.890 32.500 -0.810 0.000 0.721 447 K HN 0.339 nan 8.250 nan 0.000 0.447 448 A N 0.152 122.901 122.820 -0.119 0.000 2.067 448 A HA 0.053 4.374 4.320 0.001 0.000 0.219 448 A C 1.748 179.297 177.584 -0.058 0.000 1.158 448 A CA 1.463 53.453 52.037 -0.079 0.000 0.661 448 A CB -0.247 18.730 19.000 -0.038 0.000 0.801 448 A HN 0.384 nan 8.150 nan 0.000 0.452 449 A N -1.186 121.618 122.820 -0.027 0.000 2.637 449 A HA 0.652 4.973 4.320 0.001 0.000 0.293 449 A C 1.492 179.099 177.584 0.038 0.000 1.216 449 A CA 0.677 52.713 52.037 -0.003 0.000 0.956 449 A CB -0.476 18.528 19.000 0.007 0.000 1.174 449 A HN 0.780 nan 8.150 nan 0.000 0.525 450 A N 0.701 123.533 122.820 0.021 0.000 2.125 450 A HA -0.071 4.249 4.320 0.001 0.000 0.219 450 A C 1.423 179.059 177.584 0.086 0.000 1.156 450 A CA 1.704 53.798 52.037 0.095 0.000 0.671 450 A CB -0.216 18.798 19.000 0.023 0.000 0.794 450 A HN 0.578 nan 8.150 nan 0.000 0.459 451 D N -2.300 118.125 120.400 0.043 0.000 2.433 451 D HA 0.087 4.727 4.640 0.001 0.000 0.211 451 D C 1.374 177.695 176.300 0.035 0.000 1.114 451 D CA 0.079 54.101 54.000 0.036 0.000 0.837 451 D CB -0.131 40.681 40.800 0.021 0.000 0.984 451 D HN 0.456 nan 8.370 nan 0.000 0.505 452 R N -0.288 120.237 120.500 0.041 0.000 2.513 452 R HA 0.237 4.577 4.340 0.001 0.000 0.245 452 R C 0.201 176.537 176.300 0.061 0.000 0.908 452 R CA -0.201 55.932 56.100 0.056 0.000 1.023 452 R CB 1.483 31.825 30.300 0.070 0.000 1.338 452 R HN 0.019 nan 8.270 nan 0.000 0.575 453 V N 2.716 122.658 119.914 0.046 0.000 2.572 453 V HA 0.048 4.169 4.120 0.001 0.000 0.291 453 V C 0.948 177.029 176.094 -0.021 0.000 1.039 453 V CA 0.296 62.616 62.300 0.034 0.000 1.055 453 V CB 1.533 33.410 31.823 0.089 0.000 0.969 453 V HN 0.176 nan 8.190 nan 0.000 0.482 454 V N 4.485 124.414 119.914 0.024 0.000 3.502 454 V HA 0.533 4.653 4.120 0.001 0.000 0.288 454 V C -0.028 176.172 176.094 0.176 0.000 1.461 454 V CA 0.404 62.746 62.300 0.071 0.000 1.029 454 V CB -0.088 31.881 31.823 0.242 0.000 0.843 454 V HN 0.975 nan 8.190 nan 0.000 0.438 455 F N 0.281 120.302 119.950 0.118 0.000 2.713 455 F HA 0.855 5.382 4.527 0.001 0.000 0.311 455 F C -1.386 174.592 175.800 0.297 0.000 1.141 455 F CA -2.249 55.859 58.000 0.180 0.000 0.939 455 F CB 1.153 40.239 39.000 0.143 0.000 1.325 455 F HN 0.085 nan 8.300 nan 0.000 0.453 456 I N 0.798 121.866 120.570 0.831 0.000 2.892 456 I HA 0.699 4.869 4.170 0.001 0.000 0.306 456 I C -1.625 174.714 176.117 0.370 0.000 1.078 456 I CA -0.758 60.893 61.300 0.585 0.000 1.032 456 I CB 2.354 40.543 38.000 0.315 0.000 1.229 456 I HN 0.805 nan 8.210 nan 0.000 0.435 457 N N 2.073 120.892 118.700 0.199 0.000 2.371 457 N HA 0.243 4.984 4.740 0.001 0.000 0.280 457 N C -1.380 174.064 175.510 -0.110 0.000 1.084 457 N CA -0.265 52.712 53.050 -0.122 0.000 0.892 457 N CB 2.712 40.951 38.487 -0.414 0.000 1.653 457 N HN 0.815 nan 8.380 nan 0.000 0.480 458 T N 0.001 114.444 114.554 -0.186 0.000 2.997 458 T HA 0.378 4.729 4.350 0.001 0.000 0.311 458 T C 0.945 175.668 174.700 0.039 0.000 1.079 458 T CA -0.708 61.346 62.100 -0.076 0.000 0.982 458 T CB 0.074 68.736 68.868 -0.344 0.000 1.032 458 T HN 0.493 nan 8.240 nan 0.000 0.581 459 G N 2.969 111.808 108.800 0.065 0.000 2.852 459 G HA2 0.314 4.275 3.960 0.001 0.000 0.280 459 G HA3 0.314 4.275 3.960 0.001 0.000 0.280 459 G C 0.548 175.551 174.900 0.171 0.000 0.731 459 G CA -0.932 44.176 45.100 0.012 0.000 2.037 459 G HN 0.890 nan 8.290 nan 0.000 0.560 460 F N 1.049 121.079 119.950 0.133 0.000 2.307 460 F HA -0.062 4.465 4.527 0.001 0.000 0.301 460 F C 1.680 177.547 175.800 0.112 0.000 1.076 460 F CA 0.644 58.772 58.000 0.214 0.000 1.383 460 F CB -0.177 38.941 39.000 0.197 0.000 1.055 460 F HN 0.291 nan 8.300 nan 0.000 0.526 461 L N 0.367 121.182 121.223 -0.680 0.000 2.034 461 L HA -0.094 4.247 4.340 0.001 0.000 0.203 461 L C 2.420 179.158 176.870 -0.219 0.000 1.074 461 L CA 1.152 55.643 54.840 -0.582 0.000 0.748 461 L CB -0.939 40.753 42.059 -0.612 0.000 0.905 461 L HN 0.010 nan 8.230 nan 0.000 0.439 462 D N 0.120 120.445 120.400 -0.126 0.000 2.133 462 D HA -0.232 4.409 4.640 0.001 0.000 0.195 462 D C 2.252 178.521 176.300 -0.051 0.000 0.997 462 D CA 1.268 55.247 54.000 -0.034 0.000 0.840 462 D CB -0.014 40.810 40.800 0.040 0.000 0.947 462 D HN 0.044 nan 8.370 nan 0.000 0.452 463 R N 0.506 120.976 120.500 -0.049 0.000 2.083 463 R HA -0.102 4.238 4.340 0.001 0.000 0.237 463 R C 2.190 178.413 176.300 -0.128 0.000 1.137 463 R CA 1.959 57.995 56.100 -0.106 0.000 0.951 463 R CB -1.032 29.163 30.300 -0.174 0.000 0.851 463 R HN 0.078 nan 8.270 nan 0.000 0.434 464 T N -0.719 113.864 114.554 0.048 0.000 2.720 464 T HA -0.111 4.240 4.350 0.001 0.000 0.268 464 T C 1.738 176.387 174.700 -0.084 0.000 1.037 464 T CA 1.541 63.690 62.100 0.082 0.000 1.144 464 T CB -0.803 68.185 68.868 0.201 0.000 0.864 464 T HN 0.576 nan 8.240 nan 0.000 0.444 465 G N 0.963 109.711 108.800 -0.087 0.000 2.418 465 G HA2 -0.240 3.721 3.960 0.001 0.000 0.217 465 G HA3 -0.240 3.721 3.960 0.001 0.000 0.217 465 G C 1.335 176.171 174.900 -0.106 0.000 1.158 465 G CA 1.072 46.116 45.100 -0.094 0.000 0.771 465 G HN 0.467 nan 8.290 nan 0.000 0.545 466 D N 0.126 120.449 120.400 -0.130 0.000 2.182 466 D HA -0.104 4.537 4.640 0.001 0.000 0.201 466 D C 2.301 178.512 176.300 -0.149 0.000 0.986 466 D CA 1.149 55.078 54.000 -0.119 0.000 0.847 466 D CB -0.086 40.636 40.800 -0.131 0.000 0.942 466 D HN 0.338 nan 8.370 nan 0.000 0.467 467 E N -0.169 119.848 120.200 -0.304 0.000 2.106 467 E HA -0.094 4.256 4.350 0.001 0.000 0.192 467 E C 2.029 178.459 176.600 -0.284 0.000 0.984 467 E CA 0.962 57.077 56.400 -0.474 0.000 0.806 467 E CB -0.239 28.855 29.700 -1.010 0.000 0.750 467 E HN 0.426 nan 8.360 nan 0.000 0.458 468 I N -0.646 119.814 120.570 -0.183 0.000 2.233 468 I HA -0.191 3.980 4.170 0.001 0.000 0.243 468 I C 2.315 178.399 176.117 -0.055 0.000 1.093 468 I CA 1.350 62.592 61.300 -0.098 0.000 1.380 468 I CB -0.383 37.580 38.000 -0.061 0.000 1.067 468 I HN 0.203 nan 8.210 nan 0.000 0.413 469 H N 0.889 119.895 119.070 -0.106 0.000 2.321 469 H HA -0.153 4.404 4.556 0.001 0.000 0.300 469 H C 2.273 177.578 175.328 -0.037 0.000 1.087 469 H CA 2.285 58.288 56.048 -0.075 0.000 1.319 469 H CB -0.170 29.527 29.762 -0.108 0.000 1.379 469 H HN 0.128 nan 8.280 nan 0.000 0.501 470 T N -1.099 113.454 114.554 -0.002 0.000 2.720 470 T HA -0.118 4.233 4.350 0.001 0.000 0.268 470 T C 1.625 176.319 174.700 -0.009 0.000 1.037 470 T CA 1.713 63.832 62.100 0.031 0.000 1.144 470 T CB -0.206 68.716 68.868 0.090 0.000 0.864 470 T HN 0.233 nan 8.240 nan 0.000 0.444 471 S N 0.315 115.962 115.700 -0.088 0.000 2.575 471 S HA 0.271 4.741 4.470 0.001 0.000 0.237 471 S C 1.413 175.881 174.600 -0.220 0.000 0.975 471 S CA -0.353 57.736 58.200 -0.185 0.000 0.960 471 S CB 0.046 63.115 63.200 -0.218 0.000 0.822 471 S HN 0.227 nan 8.310 nan 0.000 0.472 472 M N 2.649 122.161 119.600 -0.146 0.000 2.152 472 M HA -0.233 4.247 4.480 0.001 0.000 0.251 472 M C 1.367 177.722 176.300 0.093 0.000 1.080 472 M CA 1.922 57.180 55.300 -0.070 0.000 1.079 472 M CB -0.325 32.154 32.600 -0.202 0.000 1.317 472 M HN 0.083 nan 8.290 nan 0.000 0.404 473 E N -0.846 119.363 120.200 0.014 0.000 2.478 473 E HA 0.168 4.519 4.350 0.001 0.000 0.194 473 E C 1.899 178.519 176.600 0.033 0.000 1.045 473 E CA 0.805 57.286 56.400 0.136 0.000 0.868 473 E CB -0.426 29.344 29.700 0.117 0.000 0.885 473 E HN 0.662 nan 8.360 nan 0.000 0.505 474 A N 1.214 123.820 122.820 -0.356 0.000 2.067 474 A HA 0.216 4.537 4.320 0.001 0.000 0.219 474 A C 1.243 178.610 177.584 -0.362 0.000 1.158 474 A CA 1.371 53.129 52.037 -0.465 0.000 0.661 474 A CB -0.047 18.539 19.000 -0.689 0.000 0.801 474 A HN 0.308 nan 8.150 nan 0.000 0.452 475 G N -2.333 106.065 108.800 -0.670 0.000 2.361 475 G HA2 0.293 4.253 3.960 0.001 0.000 0.331 475 G HA3 0.293 4.253 3.960 0.001 0.000 0.331 475 G C -3.552 170.880 174.900 -0.780 0.000 1.324 475 G CA -0.426 44.030 45.100 -1.072 0.000 0.984 475 G HN 0.064 nan 8.290 nan 0.000 0.586 476 P HA 0.446 nan 4.420 nan 0.000 0.276 476 P C -0.105 177.318 177.300 0.204 0.000 1.235 476 P CA -0.251 62.883 63.100 0.057 0.000 0.772 476 P CB 0.788 32.538 31.700 0.084 0.000 0.871 477 M N 2.523 122.344 119.600 0.370 0.000 2.202 477 M HA 0.134 4.614 4.480 0.001 0.000 0.316 477 M C 0.618 177.262 176.300 0.574 0.000 1.138 477 M CA -1.028 54.477 55.300 0.341 0.000 1.151 477 M CB 0.041 32.775 32.600 0.224 0.000 1.422 477 M HN 0.191 nan 8.290 nan 0.000 0.471 478 V N 0.427 120.596 119.914 0.425 0.000 3.032 478 V HA 0.146 4.267 4.120 0.001 0.000 0.307 478 V C 0.659 177.016 176.094 0.439 0.000 1.097 478 V CA -0.646 61.950 62.300 0.494 0.000 1.191 478 V CB -0.512 31.495 31.823 0.307 0.000 0.964 478 V HN 0.763 nan 8.190 nan 0.000 0.494 479 R N 2.098 122.876 120.500 0.464 0.000 2.817 479 R HA 0.075 4.415 4.340 0.001 0.000 0.264 479 R C 1.589 177.929 176.300 0.066 0.000 1.009 479 R CA 0.475 56.666 56.100 0.151 0.000 1.133 479 R CB 0.234 30.641 30.300 0.179 0.000 1.013 479 R HN 0.955 nan 8.270 nan 0.000 0.453 480 K N 0.609 120.974 120.400 -0.057 0.000 2.228 480 K HA -0.026 4.294 4.320 0.001 0.000 0.202 480 K C 1.562 178.177 176.600 0.025 0.000 1.051 480 K CA 1.374 57.642 56.287 -0.030 0.000 0.960 480 K CB 0.108 32.542 32.500 -0.111 0.000 0.743 480 K HN 0.681 nan 8.250 nan 0.000 0.458 481 G N 0.291 109.107 108.800 0.027 0.000 2.650 481 G HA2 -0.091 3.869 3.960 0.001 0.000 0.214 481 G HA3 -0.091 3.869 3.960 0.001 0.000 0.214 481 G C 1.005 175.942 174.900 0.061 0.000 1.136 481 G CA 0.655 45.782 45.100 0.044 0.000 0.789 481 G HN 0.349 nan 8.290 nan 0.000 0.536 482 T N 1.007 115.615 114.554 0.090 0.000 3.044 482 T HA 0.116 4.466 4.350 0.001 0.000 0.250 482 T C 2.419 177.175 174.700 0.094 0.000 1.081 482 T CA -0.116 62.046 62.100 0.103 0.000 1.040 482 T CB 0.004 68.969 68.868 0.161 0.000 0.962 482 T HN 0.045 nan 8.240 nan 0.000 0.506 483 M N 2.101 121.767 119.600 0.109 0.000 2.202 483 M HA -0.087 4.393 4.480 0.001 0.000 0.262 483 M C 2.317 178.612 176.300 -0.010 0.000 1.063 483 M CA 1.308 56.682 55.300 0.123 0.000 1.097 483 M CB -0.808 31.916 32.600 0.208 0.000 1.382 483 M HN 0.364 nan 8.290 nan 0.000 0.413 484 K N 0.301 120.694 120.400 -0.011 0.000 2.211 484 K HA -0.105 4.215 4.320 0.001 0.000 0.204 484 K C 1.248 177.777 176.600 -0.117 0.000 1.047 484 K CA 1.888 58.128 56.287 -0.077 0.000 0.935 484 K CB -0.448 32.021 32.500 -0.051 0.000 0.728 484 K HN 0.373 nan 8.250 nan 0.000 0.452 485 S N 0.338 115.994 115.700 -0.072 0.000 2.572 485 S HA 0.141 4.611 4.470 0.001 0.000 0.228 485 S C 0.116 174.669 174.600 -0.078 0.000 0.963 485 S CA -0.732 57.426 58.200 -0.070 0.000 0.939 485 S CB 0.166 63.349 63.200 -0.030 0.000 0.804 485 S HN 0.147 nan 8.310 nan 0.000 0.480 486 Q N 1.972 121.697 119.800 -0.125 0.000 2.299 486 Q HA 0.333 4.673 4.340 0.001 0.000 0.246 486 Q C -1.856 174.042 176.000 -0.170 0.000 0.935 486 Q CA -2.314 53.437 55.803 -0.087 0.000 0.887 486 Q CB 0.602 29.352 28.738 0.020 0.000 1.223 486 Q HN 0.072 nan 8.270 nan 0.000 0.439 487 P HA -0.182 nan 4.420 nan 0.000 0.217 487 P C 1.223 178.522 177.300 -0.001 0.000 1.148 487 P CA 1.458 64.552 63.100 -0.010 0.000 0.828 487 P CB -0.196 31.539 31.700 0.058 0.000 0.783 488 W N -0.187 121.138 121.300 0.042 0.000 2.363 488 W HA -0.052 4.609 4.660 0.001 0.000 0.296 488 W C 1.638 178.214 176.519 0.096 0.000 1.212 488 W CA 0.498 57.873 57.345 0.050 0.000 1.260 488 W CB -1.516 27.958 29.460 0.023 0.000 1.131 488 W HN -0.069 nan 8.180 nan 0.000 0.530 489 I N 1.016 120.902 120.570 -1.141 0.000 2.584 489 I HA -0.183 3.987 4.170 0.001 0.000 0.255 489 I C 2.572 178.528 176.117 -0.270 0.000 1.145 489 I CA 0.726 61.407 61.300 -1.032 0.000 1.462 489 I CB -0.133 37.019 38.000 -1.413 0.000 1.102 489 I HN -0.130 nan 8.210 nan 0.000 0.433 490 L N 0.460 121.540 121.223 -0.238 0.000 2.027 490 L HA -0.139 4.202 4.340 0.001 0.000 0.206 490 L C 2.829 179.679 176.870 -0.033 0.000 1.074 490 L CA 1.292 56.062 54.840 -0.117 0.000 0.745 490 L CB -0.981 41.016 42.059 -0.104 0.000 0.898 490 L HN 0.235 nan 8.230 nan 0.000 0.433 491 A N -0.150 122.680 122.820 0.017 0.000 1.851 491 A HA -0.319 4.001 4.320 0.001 0.000 0.216 491 A C 2.235 179.903 177.584 0.140 0.000 1.195 491 A CA 1.947 54.029 52.037 0.075 0.000 0.622 491 A CB -1.172 17.885 19.000 0.095 0.000 0.831 491 A HN 0.489 nan 8.150 nan 0.000 0.444 492 Y N 1.145 121.480 120.300 0.058 0.000 2.030 492 Y HA -0.317 4.234 4.550 0.001 0.000 0.272 492 Y C 2.314 178.267 175.900 0.088 0.000 1.185 492 Y CA 2.533 60.703 58.100 0.116 0.000 1.120 492 Y CB -0.380 38.197 38.460 0.195 0.000 0.955 492 Y HN 0.417 nan 8.280 nan 0.000 0.495 493 E N 0.143 120.192 120.200 -0.252 0.000 2.058 493 E HA -0.215 4.135 4.350 0.001 0.000 0.194 493 E C 1.859 178.341 176.600 -0.197 0.000 0.997 493 E CA 1.665 57.859 56.400 -0.345 0.000 0.801 493 E CB -0.465 29.094 29.700 -0.234 0.000 0.746 493 E HN 0.633 nan 8.360 nan 0.000 0.450 494 D N -0.281 120.064 120.400 -0.092 0.000 2.144 494 D HA -0.133 4.508 4.640 0.001 0.000 0.200 494 D C 1.942 178.221 176.300 -0.034 0.000 0.978 494 D CA 1.101 55.064 54.000 -0.061 0.000 0.833 494 D CB -0.511 40.273 40.800 -0.026 0.000 0.961 494 D HN 0.335 nan 8.370 nan 0.000 0.470 495 H N 0.661 119.682 119.070 -0.083 0.000 2.421 495 H HA -0.034 4.523 4.556 0.001 0.000 0.298 495 H C 1.760 177.027 175.328 -0.101 0.000 1.087 495 H CA 1.584 57.598 56.048 -0.058 0.000 1.330 495 H CB 0.038 29.805 29.762 0.008 0.000 1.388 495 H HN -0.002 nan 8.280 nan 0.000 0.526 496 N N 0.078 118.692 118.700 -0.144 0.000 2.106 496 N HA -0.135 4.606 4.740 0.001 0.000 0.188 496 N C 1.851 177.202 175.510 -0.265 0.000 1.029 496 N CA 1.522 54.435 53.050 -0.228 0.000 0.848 496 N CB -0.071 38.266 38.487 -0.251 0.000 1.007 496 N HN 0.301 nan 8.380 nan 0.000 0.423 497 V N 1.978 121.763 119.914 -0.215 0.000 2.261 497 V HA -0.203 3.918 4.120 0.001 0.000 0.246 497 V C 1.906 177.868 176.094 -0.220 0.000 1.047 497 V CA 1.894 64.078 62.300 -0.193 0.000 1.015 497 V CB -0.683 31.056 31.823 -0.140 0.000 0.642 497 V HN 0.267 nan 8.190 nan 0.000 0.446 498 D N 0.602 120.880 120.400 -0.204 0.000 2.116 498 D HA -0.182 4.459 4.640 0.001 0.000 0.193 498 D C 2.206 178.341 176.300 -0.276 0.000 0.998 498 D CA 1.838 55.718 54.000 -0.201 0.000 0.836 498 D CB -0.440 40.265 40.800 -0.158 0.000 0.951 498 D HN 0.459 nan 8.370 nan 0.000 0.449 499 A N 0.771 123.364 122.820 -0.378 0.000 1.902 499 A HA -0.012 4.309 4.320 0.001 0.000 0.217 499 A C 2.410 179.702 177.584 -0.487 0.000 1.181 499 A CA 2.140 53.939 52.037 -0.396 0.000 0.623 499 A CB -1.102 17.646 19.000 -0.420 0.000 0.818 499 A HN 0.309 nan 8.150 nan 0.000 0.443 500 G N -0.062 108.351 108.800 -0.646 0.000 2.421 500 G HA2 -0.172 3.789 3.960 0.001 0.000 0.216 500 G HA3 -0.172 3.789 3.960 0.001 0.000 0.216 500 G C 1.555 176.097 174.900 -0.597 0.000 1.171 500 G CA 1.096 45.505 45.100 -1.152 0.000 0.775 500 G HN 0.436 nan 8.290 nan 0.000 0.543 501 L N 0.633 121.671 121.223 -0.308 0.000 2.056 501 L HA -0.000 4.340 4.340 0.001 0.000 0.207 501 L C 3.382 180.167 176.870 -0.142 0.000 1.078 501 L CA 0.946 55.704 54.840 -0.138 0.000 0.749 501 L CB -0.466 41.534 42.059 -0.099 0.000 0.901 501 L HN 0.295 nan 8.230 nan 0.000 0.433 502 A N 0.232 122.931 122.820 -0.201 0.000 1.972 502 A HA -0.078 4.242 4.320 0.001 0.000 0.219 502 A C 2.324 179.749 177.584 -0.264 0.000 1.169 502 A CA 1.499 53.418 52.037 -0.196 0.000 0.635 502 A CB -0.540 18.346 19.000 -0.189 0.000 0.810 502 A HN 0.387 nan 8.150 nan 0.000 0.446 503 A N -1.419 121.208 122.820 -0.322 0.000 2.252 503 A HA 0.410 4.730 4.320 0.001 0.000 0.207 503 A C 1.627 179.180 177.584 -0.053 0.000 1.194 503 A CA 1.064 52.874 52.037 -0.378 0.000 0.809 503 A CB -1.140 17.706 19.000 -0.257 0.000 0.814 503 A HN 1.899 nan 8.150 nan 0.000 0.482 504 G N -1.772 107.036 108.800 0.014 0.000 2.182 504 G HA2 -0.268 3.693 3.960 0.001 0.000 0.248 504 G HA3 -0.268 3.693 3.960 0.001 0.000 0.248 504 G C 0.339 175.378 174.900 0.232 0.000 1.042 504 G CA 0.328 45.483 45.100 0.091 0.000 0.775 504 G HN 0.285 nan 8.290 nan 0.000 0.501 505 F N 1.206 121.141 119.950 -0.026 0.000 2.186 505 F HA 0.145 4.672 4.527 0.001 0.000 0.299 505 F C 2.128 177.937 175.800 0.015 0.000 1.090 505 F CA 0.970 58.978 58.000 0.013 0.000 1.307 505 F CB -0.442 38.569 39.000 0.019 0.000 1.019 505 F HN 0.277 nan 8.300 nan 0.000 0.489 506 S N -0.363 115.449 115.700 0.187 0.000 2.509 506 S HA 0.369 4.839 4.470 0.001 0.000 0.287 506 S C 1.057 175.695 174.600 0.064 0.000 1.248 506 S CA 0.648 58.910 58.200 0.102 0.000 1.089 506 S CB -0.390 62.845 63.200 0.060 0.000 0.900 506 S HN 0.770 nan 8.310 nan 0.000 0.496 507 G N 4.902 113.730 108.800 0.048 0.000 2.175 507 G HA2 -0.207 3.753 3.960 0.001 0.000 0.244 507 G HA3 -0.207 3.753 3.960 0.001 0.000 0.244 507 G C 0.685 175.596 174.900 0.019 0.000 0.982 507 G CA 0.429 45.546 45.100 0.028 0.000 0.641 507 G HN 0.668 nan 8.290 nan 0.000 0.527 508 R N -0.788 119.717 120.500 0.009 0.000 2.646 508 R HA 0.600 4.941 4.340 0.001 0.000 0.226 508 R C 0.555 176.795 176.300 -0.099 0.000 0.928 508 R CA 0.770 56.851 56.100 -0.031 0.000 1.010 508 R CB 1.059 31.339 30.300 -0.034 0.000 1.516 508 R HN 1.043 nan 8.270 nan 0.000 0.621 509 A N 1.081 123.819 122.820 -0.137 0.000 2.589 509 A HA 0.408 4.728 4.320 0.001 0.000 0.296 509 A C -1.474 176.111 177.584 0.001 0.000 1.062 509 A CA -0.697 51.195 52.037 -0.243 0.000 0.686 509 A CB 1.481 19.887 19.000 -0.990 0.000 1.282 509 A HN 0.047 nan 8.150 nan 0.000 0.404 510 Q N 0.134 120.025 119.800 0.153 0.000 2.352 510 Q HA 0.450 4.791 4.340 0.001 0.000 0.260 510 Q C -0.674 175.535 176.000 0.348 0.000 0.976 510 Q CA -0.041 55.895 55.803 0.221 0.000 0.881 510 Q CB 1.355 30.206 28.738 0.187 0.000 1.235 510 Q HN 0.471 nan 8.270 nan 0.000 0.419 511 V N 2.415 122.471 119.914 0.236 0.000 2.293 511 V HA 0.469 4.590 4.120 0.001 0.000 0.275 511 V C 0.290 176.404 176.094 0.034 0.000 1.021 511 V CA -0.602 61.800 62.300 0.170 0.000 0.815 511 V CB 1.053 32.927 31.823 0.085 0.000 1.025 511 V HN 0.832 nan 8.190 nan 0.000 0.448 512 G N 4.038 112.807 108.800 -0.052 0.000 2.410 512 G HA2 0.691 4.652 3.960 0.001 0.000 0.330 512 G HA3 0.691 4.652 3.960 0.001 0.000 0.330 512 G C -0.612 174.157 174.900 -0.219 0.000 1.142 512 G CA -0.558 44.440 45.100 -0.171 0.000 0.902 512 G HN 0.555 nan 8.290 nan 0.000 0.491 513 K N -0.339 119.939 120.400 -0.204 0.000 2.279 513 K HA 0.667 4.987 4.320 0.001 0.000 0.238 513 K C 0.437 176.864 176.600 -0.288 0.000 1.084 513 K CA -0.776 55.377 56.287 -0.223 0.000 0.885 513 K CB 1.893 34.304 32.500 -0.148 0.000 1.319 513 K HN 0.569 nan 8.250 nan 0.000 0.494 514 G N 0.253 108.954 108.800 -0.164 0.000 2.568 514 G HA2 0.409 4.369 3.960 0.001 0.000 0.293 514 G HA3 0.409 4.369 3.960 0.001 0.000 0.293 514 G C -0.776 174.243 174.900 0.198 0.000 1.347 514 G CA -0.536 44.529 45.100 -0.058 0.000 1.039 514 G HN 0.394 nan 8.290 nan 0.000 0.523 515 M N 0.747 120.597 119.600 0.415 0.000 2.228 515 M HA 0.250 4.730 4.480 0.001 0.000 0.351 515 M C -0.339 176.203 176.300 0.404 0.000 1.233 515 M CA -0.969 54.614 55.300 0.472 0.000 1.129 515 M CB 0.551 33.428 32.600 0.462 0.000 1.604 515 M HN 0.517 nan 8.290 nan 0.000 0.457 516 W N 6.308 127.705 121.300 0.162 0.000 2.335 516 W HA 0.240 4.901 4.660 0.001 0.000 0.306 516 W C -0.071 176.517 176.519 0.116 0.000 1.216 516 W CA 0.354 57.760 57.345 0.102 0.000 1.237 516 W CB 1.062 30.542 29.460 0.034 0.000 1.243 516 W HN 0.900 nan 8.180 nan 0.000 0.493 517 T N 2.319 116.665 114.554 -0.346 0.000 2.971 517 T HA 0.078 4.428 4.350 0.001 0.000 0.252 517 T C 1.023 175.593 174.700 -0.218 0.000 1.022 517 T CA -0.182 61.819 62.100 -0.166 0.000 0.980 517 T CB -0.007 68.794 68.868 -0.112 0.000 1.044 517 T HN 0.462 nan 8.240 nan 0.000 0.501 518 M N 3.410 122.692 119.600 -0.531 0.000 2.725 518 M HA 0.344 4.825 4.480 0.001 0.000 0.322 518 M C 1.134 177.587 176.300 0.255 0.000 1.393 518 M CA -0.037 55.177 55.300 -0.143 0.000 1.452 518 M CB -0.195 32.318 32.600 -0.146 0.000 1.242 518 M HN 0.192 nan 8.290 nan 0.000 0.487 519 T N -1.076 113.596 114.554 0.196 0.000 2.897 519 T HA -0.103 4.248 4.350 0.001 0.000 0.271 519 T C 1.040 175.856 174.700 0.193 0.000 1.084 519 T CA 1.386 63.622 62.100 0.226 0.000 1.123 519 T CB -0.155 68.792 68.868 0.131 0.000 0.865 519 T HN 0.673 nan 8.240 nan 0.000 0.496 520 E N 0.839 121.141 120.200 0.171 0.000 2.460 520 E HA 0.255 4.605 4.350 0.001 0.000 0.200 520 E C 0.813 177.493 176.600 0.132 0.000 1.011 520 E CA 0.065 56.536 56.400 0.118 0.000 0.912 520 E CB 0.184 29.931 29.700 0.078 0.000 0.953 520 E HN 0.552 nan 8.360 nan 0.000 0.494 521 L N 1.730 123.091 121.223 0.230 0.000 2.719 521 L HA 0.229 4.569 4.340 0.001 0.000 0.236 521 L C 1.347 178.345 176.870 0.213 0.000 1.285 521 L CA -0.338 54.645 54.840 0.239 0.000 1.222 521 L CB -0.078 42.166 42.059 0.308 0.000 1.493 521 L HN -0.137 nan 8.230 nan 0.000 0.415 522 M N 0.456 120.092 119.600 0.061 0.000 2.156 522 M HA -0.092 4.388 4.480 0.001 0.000 0.264 522 M C 2.548 178.775 176.300 -0.121 0.000 1.067 522 M CA 1.463 56.715 55.300 -0.080 0.000 1.131 522 M CB -0.849 31.712 32.600 -0.065 0.000 1.368 522 M HN 0.585 nan 8.290 nan 0.000 0.416 523 A N 0.559 123.344 122.820 -0.058 0.000 1.927 523 A HA -0.236 4.084 4.320 0.001 0.000 0.220 523 A C 1.830 179.396 177.584 -0.029 0.000 1.185 523 A CA 2.508 54.516 52.037 -0.049 0.000 0.639 523 A CB -1.069 17.916 19.000 -0.025 0.000 0.820 523 A HN 0.500 nan 8.150 nan 0.000 0.451 524 D N -1.384 119.027 120.400 0.018 0.000 2.137 524 D HA -0.058 4.583 4.640 0.001 0.000 0.202 524 D C 1.946 178.156 176.300 -0.149 0.000 0.970 524 D CA 1.200 55.252 54.000 0.086 0.000 0.837 524 D CB -0.219 40.767 40.800 0.309 0.000 0.981 524 D HN 0.497 nan 8.370 nan 0.000 0.475 525 M N 0.528 119.738 119.600 -0.651 0.000 2.065 525 M HA -0.188 4.292 4.480 0.001 0.000 0.259 525 M C 1.801 177.835 176.300 -0.443 0.000 1.069 525 M CA 1.355 55.831 55.300 -1.373 0.000 1.110 525 M CB -0.068 31.483 32.600 -1.750 0.000 1.328 525 M HN -0.064 nan 8.290 nan 0.000 0.405 526 V N 0.881 120.669 119.914 -0.210 0.000 2.278 526 V HA -0.339 3.781 4.120 0.001 0.000 0.251 526 V C 2.299 178.502 176.094 0.180 0.000 1.062 526 V CA 2.563 64.900 62.300 0.062 0.000 1.038 526 V CB -1.067 30.748 31.823 -0.014 0.000 0.646 526 V HN 0.647 nan 8.190 nan 0.000 0.447 527 E N -0.248 119.976 120.200 0.039 0.000 2.152 527 E HA -0.190 4.161 4.350 0.001 0.000 0.192 527 E C 2.237 178.827 176.600 -0.017 0.000 0.983 527 E CA 1.580 58.000 56.400 0.034 0.000 0.818 527 E CB 0.001 29.721 29.700 0.033 0.000 0.758 527 E HN 0.748 nan 8.360 nan 0.000 0.467 528 T N -1.739 112.788 114.554 -0.046 0.000 3.042 528 T HA 0.074 4.425 4.350 0.001 0.000 0.245 528 T C 1.818 176.447 174.700 -0.120 0.000 1.029 528 T CA 0.430 62.514 62.100 -0.028 0.000 1.120 528 T CB -0.057 68.885 68.868 0.123 0.000 0.917 528 T HN -0.017 nan 8.240 nan 0.000 0.467 529 K N 0.496 120.764 120.400 -0.220 0.000 2.439 529 K HA 0.224 4.545 4.320 0.001 0.000 0.197 529 K C 2.062 178.352 176.600 -0.517 0.000 1.041 529 K CA 0.351 56.483 56.287 -0.259 0.000 0.970 529 K CB -0.412 31.926 32.500 -0.271 0.000 0.773 529 K HN 0.477 nan 8.250 nan 0.000 0.479 530 I N 0.801 120.825 120.570 -0.910 0.000 2.381 530 I HA -0.341 3.830 4.170 0.001 0.000 0.255 530 I C 1.901 177.806 176.117 -0.354 0.000 1.140 530 I CA 1.297 62.120 61.300 -0.796 0.000 1.404 530 I CB -0.095 37.592 38.000 -0.522 0.000 1.075 530 I HN 0.260 nan 8.210 nan 0.000 0.433 531 A N -0.173 122.500 122.820 -0.245 0.000 1.933 531 A HA -0.272 4.048 4.320 0.001 0.000 0.218 531 A C 2.144 179.643 177.584 -0.142 0.000 1.175 531 A CA 1.708 53.649 52.037 -0.159 0.000 0.628 531 A CB -0.535 18.391 19.000 -0.123 0.000 0.814 531 A HN 0.594 nan 8.150 nan 0.000 0.444 532 Q N -0.511 119.207 119.800 -0.137 0.000 1.975 532 Q HA -0.140 4.200 4.340 0.001 0.000 0.205 532 Q C -0.449 175.498 176.000 -0.088 0.000 0.990 532 Q CA 1.879 57.626 55.803 -0.092 0.000 0.845 532 Q CB -1.138 27.576 28.738 -0.039 0.000 0.913 532 Q HN 0.509 nan 8.270 nan 0.000 0.420 533 P HA -0.182 nan 4.420 nan 0.000 0.216 533 P C 0.730 177.949 177.300 -0.136 0.000 1.150 533 P CA 1.420 64.407 63.100 -0.188 0.000 0.843 533 P CB -0.113 31.294 31.700 -0.489 0.000 0.787 534 R N -0.368 120.047 120.500 -0.142 0.000 2.189 534 R HA 0.040 4.381 4.340 0.001 0.000 0.223 534 R C 2.004 178.252 176.300 -0.088 0.000 1.092 534 R CA 1.085 57.121 56.100 -0.107 0.000 0.989 534 R CB -0.523 29.712 30.300 -0.107 0.000 0.876 534 R HN 0.120 nan 8.270 nan 0.000 0.457 535 A N -0.245 122.520 122.820 -0.090 0.000 2.278 535 A HA 0.246 4.567 4.320 0.001 0.000 0.212 535 A C 1.206 178.746 177.584 -0.072 0.000 1.213 535 A CA 0.581 52.569 52.037 -0.083 0.000 0.840 535 A CB -0.057 18.885 19.000 -0.096 0.000 0.866 535 A HN 0.399 nan 8.150 nan 0.000 0.489 536 G N -1.580 107.183 108.800 -0.061 0.000 2.143 536 G HA2 0.041 4.002 3.960 0.001 0.000 0.248 536 G HA3 0.041 4.002 3.960 0.001 0.000 0.248 536 G C 0.430 175.317 174.900 -0.022 0.000 0.991 536 G CA 0.319 45.393 45.100 -0.043 0.000 0.689 536 G HN 1.650 nan 8.290 nan 0.000 0.522 537 A N 0.486 123.295 122.820 -0.018 0.000 2.492 537 A HA 0.642 4.963 4.320 0.001 0.000 0.254 537 A C 1.573 179.215 177.584 0.097 0.000 1.091 537 A CA 1.079 53.129 52.037 0.022 0.000 0.768 537 A CB 0.315 19.323 19.000 0.013 0.000 1.028 537 A HN 1.607 nan 8.150 nan 0.000 0.498 538 S N 1.361 117.122 115.700 0.103 0.000 2.603 538 S HA 0.198 4.669 4.470 0.001 0.000 0.220 538 S C 0.658 175.340 174.600 0.135 0.000 0.967 538 S CA 0.708 58.987 58.200 0.132 0.000 0.920 538 S CB -0.200 63.049 63.200 0.082 0.000 0.773 538 S HN 0.989 nan 8.310 nan 0.000 0.529 539 T N -0.006 114.636 114.554 0.146 0.000 2.840 539 T HA 0.660 5.010 4.350 0.001 0.000 0.317 539 T C -1.868 172.963 174.700 0.219 0.000 1.401 539 T CA 0.018 62.205 62.100 0.146 0.000 1.028 539 T CB 1.575 70.460 68.868 0.028 0.000 1.317 539 T HN 0.542 nan 8.240 nan 0.000 0.495 540 A N 1.619 124.664 122.820 0.376 0.000 2.594 540 A HA 0.742 5.063 4.320 0.001 0.000 0.291 540 A C -2.102 175.790 177.584 0.512 0.000 1.105 540 A CA -0.776 51.467 52.037 0.342 0.000 0.694 540 A CB 0.999 20.174 19.000 0.293 0.000 1.291 540 A HN 0.653 nan 8.150 nan 0.000 0.410 541 W N 1.036 122.388 121.300 0.086 0.000 2.315 541 W HA 0.513 5.174 4.660 0.001 0.000 0.316 541 W C -0.003 176.582 176.519 0.111 0.000 1.211 541 W CA -0.545 56.848 57.345 0.080 0.000 1.201 541 W CB 1.269 30.771 29.460 0.069 0.000 1.184 541 W HN 0.715 nan 8.180 nan 0.000 0.544 542 V N 2.352 122.426 119.914 0.267 0.000 2.823 542 V HA 0.580 4.701 4.120 0.001 0.000 0.312 542 V C -2.080 174.086 176.094 0.121 0.000 1.072 542 V CA -2.285 60.130 62.300 0.193 0.000 0.937 542 V CB 2.543 34.460 31.823 0.155 0.000 1.013 542 V HN 0.370 nan 8.190 nan 0.000 0.430 543 P HA 0.153 nan 4.420 nan 0.000 0.245 543 P C 0.344 177.647 177.300 0.006 0.000 1.203 543 P CA 0.690 63.841 63.100 0.085 0.000 0.792 543 P CB 0.547 32.332 31.700 0.141 0.000 0.997 544 S N -2.747 112.951 115.700 -0.003 0.000 2.596 544 S HA 0.518 4.989 4.470 0.001 0.000 0.270 544 S C -2.602 171.974 174.600 -0.041 0.000 1.155 544 S CA -1.415 56.746 58.200 -0.066 0.000 0.827 544 S CB 1.593 64.738 63.200 -0.090 0.000 1.130 544 S HN -0.349 nan 8.310 nan 0.000 0.467 545 P HA -0.098 nan 4.420 nan 0.000 0.216 545 P C 1.435 178.727 177.300 -0.014 0.000 1.153 545 P CA 2.138 65.221 63.100 -0.028 0.000 0.858 545 P CB -0.404 31.279 31.700 -0.028 0.000 0.789 546 T N -0.320 114.223 114.554 -0.018 0.000 2.622 546 T HA -0.215 4.135 4.350 0.001 0.000 0.266 546 T C 1.986 176.678 174.700 -0.014 0.000 1.047 546 T CA 1.753 63.848 62.100 -0.009 0.000 1.159 546 T CB -1.371 67.493 68.868 -0.007 0.000 0.863 546 T HN 0.052 nan 8.240 nan 0.000 0.422 547 A N 1.714 124.529 122.820 -0.009 0.000 1.978 547 A HA 0.123 4.444 4.320 0.001 0.000 0.220 547 A C 2.681 180.278 177.584 0.021 0.000 1.170 547 A CA 1.946 53.974 52.037 -0.016 0.000 0.636 547 A CB -1.194 17.815 19.000 0.016 0.000 0.810 547 A HN 0.595 nan 8.150 nan 0.000 0.448 548 A N -1.283 121.557 122.820 0.033 0.000 1.969 548 A HA -0.051 4.270 4.320 0.001 0.000 0.218 548 A C 2.248 179.840 177.584 0.014 0.000 1.169 548 A CA 2.128 54.196 52.037 0.051 0.000 0.635 548 A CB -1.032 17.977 19.000 0.015 0.000 0.810 548 A HN 0.417 nan 8.150 nan 0.000 0.445 549 T N 0.195 114.743 114.554 -0.011 0.000 2.904 549 T HA 0.029 4.380 4.350 0.001 0.000 0.267 549 T C 1.695 176.359 174.700 -0.060 0.000 1.059 549 T CA 1.234 63.316 62.100 -0.031 0.000 1.137 549 T CB -0.237 68.623 68.868 -0.013 0.000 0.879 549 T HN 0.383 nan 8.240 nan 0.000 0.467 550 L N -0.300 120.885 121.223 -0.063 0.000 2.162 550 L HA 0.068 4.409 4.340 0.001 0.000 0.205 550 L C 2.558 179.307 176.870 -0.202 0.000 1.086 550 L CA 0.940 55.705 54.840 -0.125 0.000 0.778 550 L CB -0.533 41.449 42.059 -0.128 0.000 0.928 550 L HN 0.219 nan 8.230 nan 0.000 0.446 551 H N 1.042 119.978 119.070 -0.223 0.000 2.353 551 H HA -0.097 4.460 4.556 0.001 0.000 0.300 551 H C 2.116 177.431 175.328 -0.021 0.000 1.090 551 H CA 1.147 57.083 56.048 -0.188 0.000 1.327 551 H CB -0.022 29.788 29.762 0.081 0.000 1.383 551 H HN 0.237 nan 8.280 nan 0.000 0.508 552 A N 0.898 123.715 122.820 -0.005 0.000 2.054 552 A HA -0.198 4.122 4.320 0.001 0.000 0.223 552 A C 2.614 180.255 177.584 0.096 0.000 1.169 552 A CA 1.720 53.777 52.037 0.033 0.000 0.655 552 A CB -1.096 17.894 19.000 -0.017 0.000 0.812 552 A HN 0.519 nan 8.150 nan 0.000 0.462 553 L N -1.839 119.350 121.223 -0.057 0.000 2.127 553 L HA -0.249 4.091 4.340 0.001 0.000 0.211 553 L C 2.438 179.372 176.870 0.106 0.000 1.089 553 L CA 1.791 56.619 54.840 -0.020 0.000 0.757 553 L CB -0.782 41.163 42.059 -0.191 0.000 0.899 553 L HN 0.577 nan 8.230 nan 0.000 0.434 554 H N -2.096 116.995 119.070 0.035 0.000 2.395 554 H HA -0.138 4.418 4.556 0.001 0.000 0.299 554 H C 2.050 177.269 175.328 -0.182 0.000 1.070 554 H CA 1.350 57.332 56.048 -0.110 0.000 1.356 554 H CB 0.030 29.650 29.762 -0.236 0.000 1.401 554 H HN 0.246 nan 8.280 nan 0.000 0.524 555 Y N -0.119 120.197 120.300 0.026 0.000 2.314 555 Y HA -0.172 4.378 4.550 0.001 0.000 0.293 555 Y C 2.440 178.372 175.900 0.053 0.000 1.129 555 Y CA 0.785 58.855 58.100 -0.051 0.000 1.201 555 Y CB -0.034 38.297 38.460 -0.215 0.000 0.999 555 Y HN 0.380 nan 8.280 nan 0.000 0.541 556 H N 0.002 119.241 119.070 0.281 0.000 2.423 556 H HA -0.121 4.436 4.556 0.001 0.000 0.297 556 H C 1.663 177.062 175.328 0.118 0.000 1.075 556 H CA 1.622 57.774 56.048 0.173 0.000 1.342 556 H CB 0.024 29.935 29.762 0.248 0.000 1.395 556 H HN 0.558 nan 8.280 nan 0.000 0.530 557 Q N 0.317 120.276 119.800 0.265 0.000 2.204 557 Q HA 0.083 4.424 4.340 0.001 0.000 0.198 557 Q C 0.404 176.519 176.000 0.192 0.000 0.946 557 Q CA 0.332 56.245 55.803 0.182 0.000 0.859 557 Q CB 0.789 29.610 28.738 0.137 0.000 0.946 557 Q HN 0.047 nan 8.270 nan 0.000 0.474 558 V N 2.282 122.286 119.914 0.151 0.000 2.394 558 V HA 0.115 4.235 4.120 0.001 0.000 0.282 558 V C -0.451 175.621 176.094 -0.037 0.000 1.031 558 V CA -0.784 61.539 62.300 0.039 0.000 0.881 558 V CB 1.541 33.320 31.823 -0.074 0.000 0.982 558 V HN 0.073 nan 8.190 nan 0.000 0.451 559 D N 4.104 124.396 120.400 -0.179 0.000 2.422 559 D HA 0.192 4.833 4.640 0.001 0.000 0.227 559 D C 0.821 176.981 176.300 -0.234 0.000 1.190 559 D CA 0.028 53.733 54.000 -0.492 0.000 0.905 559 D CB 1.623 42.185 40.800 -0.396 0.000 1.034 559 D HN 0.244 nan 8.370 nan 0.000 0.507 560 V N 4.221 124.027 119.914 -0.180 0.000 2.358 560 V HA -0.208 3.912 4.120 0.001 0.000 0.246 560 V C 2.499 178.553 176.094 -0.066 0.000 1.047 560 V CA 1.919 64.175 62.300 -0.073 0.000 1.035 560 V CB -0.676 31.158 31.823 0.018 0.000 0.658 560 V HN 0.669 nan 8.190 nan 0.000 0.452 561 A N 0.226 122.996 122.820 -0.083 0.000 1.917 561 A HA -0.230 4.090 4.320 0.001 0.000 0.219 561 A C 2.421 179.973 177.584 -0.054 0.000 1.182 561 A CA 2.485 54.489 52.037 -0.056 0.000 0.633 561 A CB -0.848 18.117 19.000 -0.058 0.000 0.819 561 A HN 0.592 nan 8.150 nan 0.000 0.448 562 A N -0.776 121.998 122.820 -0.076 0.000 1.898 562 A HA 0.042 4.362 4.320 0.001 0.000 0.216 562 A C 2.239 179.793 177.584 -0.049 0.000 1.181 562 A CA 1.695 53.697 52.037 -0.059 0.000 0.620 562 A CB -0.945 18.015 19.000 -0.067 0.000 0.819 562 A HN 0.411 nan 8.150 nan 0.000 0.442 563 V N 0.230 120.109 119.914 -0.058 0.000 2.287 563 V HA -0.347 3.774 4.120 0.001 0.000 0.248 563 V C 2.649 178.718 176.094 -0.041 0.000 1.053 563 V CA 2.329 64.599 62.300 -0.049 0.000 1.027 563 V CB -0.981 30.809 31.823 -0.056 0.000 0.646 563 V HN 0.640 nan 8.190 nan 0.000 0.447 564 Q N -0.785 118.993 119.800 -0.036 0.000 2.170 564 Q HA -0.226 4.114 4.340 0.001 0.000 0.203 564 Q C 2.409 178.393 176.000 -0.027 0.000 0.976 564 Q CA 1.708 57.494 55.803 -0.028 0.000 0.858 564 Q CB -0.244 28.487 28.738 -0.011 0.000 0.907 564 Q HN 0.621 nan 8.270 nan 0.000 0.433 565 Q N -0.462 119.323 119.800 -0.026 0.000 2.119 565 Q HA -0.072 4.269 4.340 0.001 0.000 0.201 565 Q C 2.107 178.092 176.000 -0.025 0.000 0.972 565 Q CA 1.315 57.104 55.803 -0.023 0.000 0.847 565 Q CB -0.391 28.335 28.738 -0.021 0.000 0.903 565 Q HN 0.718 nan 8.270 nan 0.000 0.433 566 G N -0.868 107.915 108.800 -0.028 0.000 2.813 566 G HA2 0.038 3.999 3.960 0.001 0.000 0.209 566 G HA3 0.038 3.999 3.960 0.001 0.000 0.209 566 G C 1.151 176.033 174.900 -0.031 0.000 1.150 566 G CA 0.202 45.285 45.100 -0.027 0.000 0.785 566 G HN 0.469 nan 8.290 nan 0.000 0.535 567 L N 0.342 121.544 121.223 -0.036 0.000 2.513 567 L HA 0.327 4.667 4.340 0.001 0.000 0.222 567 L C 1.836 178.680 176.870 -0.044 0.000 1.096 567 L CA -0.196 54.618 54.840 -0.042 0.000 0.857 567 L CB -0.109 41.920 42.059 -0.050 0.000 1.026 567 L HN 0.157 nan 8.230 nan 0.000 0.469 568 A N 1.014 123.810 122.820 -0.040 0.000 2.589 568 A HA 0.137 4.458 4.320 0.001 0.000 0.265 568 A C 1.529 179.089 177.584 -0.040 0.000 0.973 568 A CA 1.064 53.077 52.037 -0.040 0.000 0.902 568 A CB -0.827 18.155 19.000 -0.030 0.000 0.846 568 A HN 0.739 nan 8.150 nan 0.000 0.489 569 G N 1.511 110.281 108.800 -0.049 0.000 2.179 569 G HA2 -0.252 3.708 3.960 0.001 0.000 0.260 569 G HA3 -0.252 3.708 3.960 0.001 0.000 0.260 569 G C 0.283 175.161 174.900 -0.036 0.000 0.977 569 G CA 0.780 45.855 45.100 -0.042 0.000 0.641 569 G HN 0.919 nan 8.290 nan 0.000 0.533 570 K N 0.593 120.969 120.400 -0.040 0.000 2.368 570 K HA 0.498 4.818 4.320 0.001 0.000 0.282 570 K C 0.615 177.195 176.600 -0.033 0.000 1.035 570 K CA -0.248 56.020 56.287 -0.033 0.000 0.973 570 K CB 0.595 33.074 32.500 -0.036 0.000 0.957 570 K HN 0.273 nan 8.250 nan 0.000 0.474 571 R N 3.824 124.314 120.500 -0.016 0.000 2.275 571 R HA 0.233 4.573 4.340 0.001 0.000 0.326 571 R C -0.006 176.301 176.300 0.011 0.000 0.973 571 R CA -0.189 55.911 56.100 -0.000 0.000 0.854 571 R CB 0.417 30.724 30.300 0.012 0.000 1.156 571 R HN 0.613 nan 8.270 nan 0.000 0.487 572 R N 1.474 121.984 120.500 0.016 0.000 2.335 572 R HA 0.283 4.624 4.340 0.001 0.000 0.210 572 R C -0.084 176.239 176.300 0.038 0.000 0.892 572 R CA 0.278 56.388 56.100 0.016 0.000 1.048 572 R CB 1.176 31.474 30.300 -0.003 0.000 1.067 572 R HN 0.407 nan 8.270 nan 0.000 0.524 573 A N 0.727 123.592 122.820 0.075 0.000 2.414 573 A HA 0.536 4.857 4.320 0.001 0.000 0.306 573 A C -0.315 177.320 177.584 0.085 0.000 1.054 573 A CA -0.626 51.462 52.037 0.085 0.000 0.724 573 A CB 1.335 20.411 19.000 0.125 0.000 1.267 573 A HN 0.113 nan 8.150 nan 0.000 0.418 574 T N -0.581 114.004 114.554 0.052 0.000 2.940 574 T HA 0.564 4.914 4.350 0.001 0.000 0.288 574 T C 1.177 175.887 174.700 0.018 0.000 1.033 574 T CA -0.550 61.577 62.100 0.044 0.000 1.033 574 T CB 0.727 69.620 68.868 0.041 0.000 1.079 574 T HN 0.379 nan 8.240 nan 0.000 0.496 575 I N 0.965 121.545 120.570 0.015 0.000 2.113 575 I HA -0.241 3.930 4.170 0.001 0.000 0.242 575 I C 2.833 178.973 176.117 0.037 0.000 1.064 575 I CA 2.359 63.663 61.300 0.007 0.000 1.320 575 I CB -0.377 37.634 38.000 0.019 0.000 1.028 575 I HN 0.983 nan 8.210 nan 0.000 0.406 576 E N 0.932 121.162 120.200 0.050 0.000 2.118 576 E HA -0.310 4.041 4.350 0.001 0.000 0.195 576 E C 2.117 178.766 176.600 0.082 0.000 0.992 576 E CA 1.480 57.923 56.400 0.072 0.000 0.804 576 E CB -0.201 29.538 29.700 0.066 0.000 0.741 576 E HN 0.545 nan 8.360 nan 0.000 0.458 577 Q N 0.339 120.181 119.800 0.069 0.000 2.124 577 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 577 Q C 2.431 178.506 176.000 0.125 0.000 0.977 577 Q CA 1.556 57.410 55.803 0.085 0.000 0.850 577 Q CB -0.089 28.689 28.738 0.066 0.000 0.901 577 Q HN 0.393 nan 8.270 nan 0.000 0.429 578 L N 0.073 121.356 121.223 0.099 0.000 2.083 578 L HA -0.180 4.160 4.340 0.001 0.000 0.209 578 L C 1.825 178.798 176.870 0.171 0.000 1.083 578 L CA 0.915 55.832 54.840 0.128 0.000 0.752 578 L CB -0.163 41.900 42.059 0.005 0.000 0.899 578 L HN 0.269 nan 8.230 nan 0.000 0.433 579 L N -1.128 120.182 121.223 0.146 0.000 2.592 579 L HA 0.055 4.396 4.340 0.001 0.000 0.227 579 L C 0.528 177.486 176.870 0.147 0.000 1.127 579 L CA -0.248 54.697 54.840 0.176 0.000 0.884 579 L CB -0.362 41.840 42.059 0.238 0.000 1.065 579 L HN 0.053 nan 8.230 nan 0.000 0.457 580 T N 2.302 116.943 114.554 0.145 0.000 2.754 580 T HA 0.207 4.558 4.350 0.001 0.000 0.282 580 T C 0.424 175.195 174.700 0.118 0.000 0.923 580 T CA 0.154 62.324 62.100 0.118 0.000 1.164 580 T CB 0.014 68.960 68.868 0.131 0.000 0.873 580 T HN 0.030 nan 8.240 nan 0.000 0.537 581 I N 7.013 127.588 120.570 0.008 0.000 2.471 581 I HA 0.172 4.342 4.170 0.001 0.000 0.286 581 I C -1.296 174.832 176.117 0.019 0.000 1.079 581 I CA -2.176 59.089 61.300 -0.059 0.000 1.398 581 I CB 0.888 38.806 38.000 -0.137 0.000 1.403 581 I HN 0.379 nan 8.210 nan 0.000 0.530 582 P HA 0.076 nan 4.420 nan 0.000 0.232 582 P C -0.482 176.878 177.300 0.099 0.000 1.738 582 P CA -0.311 62.889 63.100 0.166 0.000 0.948 582 P CB -0.193 31.691 31.700 0.306 0.000 1.943 583 L N 1.288 122.531 121.223 0.034 0.000 2.455 583 L HA 0.194 4.534 4.340 0.001 0.000 0.272 583 L C 1.184 178.073 176.870 0.031 0.000 1.174 583 L CA -0.411 54.432 54.840 0.006 0.000 0.869 583 L CB -0.375 41.650 42.059 -0.056 0.000 1.130 583 L HN 0.183 nan 8.230 nan 0.000 0.474 584 A N 3.506 126.361 122.820 0.058 0.000 2.520 584 A HA 0.510 4.830 4.320 0.001 0.000 0.235 584 A C 0.622 178.108 177.584 -0.163 0.000 1.065 584 A CA 0.423 52.438 52.037 -0.036 0.000 0.764 584 A CB -0.088 18.871 19.000 -0.068 0.000 1.002 584 A HN 0.829 nan 8.150 nan 0.000 0.502 585 K N 1.079 121.343 120.400 -0.227 0.000 2.651 585 K HA 0.709 5.030 4.320 0.001 0.000 0.283 585 K C 0.433 176.839 176.600 -0.324 0.000 1.018 585 K CA 0.449 56.603 56.287 -0.223 0.000 1.127 585 K CB -0.614 31.793 32.500 -0.155 0.000 1.501 585 K HN 1.065 nan 8.250 nan 0.000 0.608 586 E N -3.071 116.982 120.200 -0.245 0.000 6.948 586 E HA -0.195 4.156 4.350 0.001 0.000 0.167 586 E C 0.665 177.105 176.600 -0.267 0.000 1.490 586 E CA 1.818 58.073 56.400 -0.242 0.000 2.589 586 E CB -0.774 28.777 29.700 -0.249 0.000 1.795 586 E HN 1.300 nan 8.360 nan 0.000 0.425 587 L N 0.482 121.577 121.223 -0.214 0.000 2.919 587 L HA 0.602 4.942 4.340 0.001 0.000 0.242 587 L C 1.803 178.506 176.870 -0.279 0.000 1.366 587 L CA 1.135 55.854 54.840 -0.202 0.000 1.212 587 L CB -1.581 40.408 42.059 -0.116 0.000 1.604 587 L HN 0.706 nan 8.230 nan 0.000 0.433 588 A N -0.812 121.687 122.820 -0.535 0.000 2.285 588 A HA -0.008 4.312 4.320 0.001 0.000 0.214 588 A C 0.691 177.876 177.584 -0.665 0.000 1.188 588 A CA 0.727 52.310 52.037 -0.756 0.000 0.707 588 A CB -0.411 17.870 19.000 -1.199 0.000 0.771 588 A HN 0.884 nan 8.150 nan 0.000 0.488 589 W N -1.096 120.160 121.300 -0.074 0.000 2.756 589 W HA 0.605 5.265 4.660 0.001 0.000 0.333 589 W C -0.066 176.427 176.519 -0.043 0.000 1.025 589 W CA -1.514 55.796 57.345 -0.059 0.000 1.246 589 W CB 0.571 29.965 29.460 -0.111 0.000 1.358 589 W HN 0.218 nan 8.180 nan 0.000 0.444 590 A N 5.774 128.706 122.820 0.187 0.000 2.498 590 A HA 0.260 4.581 4.320 0.001 0.000 0.239 590 A C -0.876 176.778 177.584 0.117 0.000 1.068 590 A CA -0.459 51.648 52.037 0.117 0.000 0.766 590 A CB 0.046 19.102 19.000 0.094 0.000 1.003 590 A HN 0.388 nan 8.150 nan 0.000 0.497 591 P HA -0.202 nan 4.420 nan 0.000 0.220 591 P C 0.342 177.678 177.300 0.060 0.000 1.155 591 P CA 1.737 64.873 63.100 0.058 0.000 0.880 591 P CB 0.064 31.789 31.700 0.041 0.000 0.790 592 D N -1.447 118.991 120.400 0.064 0.000 2.328 592 D HA 0.007 4.647 4.640 0.001 0.000 0.221 592 D C 1.640 177.984 176.300 0.073 0.000 1.072 592 D CA 0.345 54.380 54.000 0.058 0.000 0.850 592 D CB -0.079 40.751 40.800 0.049 0.000 0.922 592 D HN 0.357 nan 8.370 nan 0.000 0.516 593 E N -0.100 120.159 120.200 0.099 0.000 2.127 593 E HA 0.083 4.434 4.350 0.001 0.000 0.191 593 E C 1.936 178.574 176.600 0.063 0.000 0.964 593 E CA 0.097 56.565 56.400 0.114 0.000 0.832 593 E CB 0.367 30.196 29.700 0.214 0.000 0.790 593 E HN 0.155 nan 8.360 nan 0.000 0.465 594 I N 1.091 121.685 120.570 0.040 0.000 2.226 594 I HA -0.264 3.907 4.170 0.001 0.000 0.245 594 I C 2.491 178.654 176.117 0.077 0.000 1.100 594 I CA 0.799 62.120 61.300 0.035 0.000 1.374 594 I CB -0.066 37.910 38.000 -0.040 0.000 1.057 594 I HN -0.011 nan 8.210 nan 0.000 0.413 595 R N 1.398 121.926 120.500 0.048 0.000 2.115 595 R HA -0.271 4.069 4.340 0.001 0.000 0.239 595 R C 2.160 178.466 176.300 0.010 0.000 1.133 595 R CA 2.259 58.377 56.100 0.030 0.000 0.935 595 R CB -0.716 29.601 30.300 0.028 0.000 0.853 595 R HN 0.419 nan 8.270 nan 0.000 0.433 596 E N -0.606 119.603 120.200 0.015 0.000 2.085 596 E HA -0.264 4.087 4.350 0.001 0.000 0.194 596 E C 1.755 178.325 176.600 -0.050 0.000 0.994 596 E CA 1.632 58.027 56.400 -0.009 0.000 0.801 596 E CB -0.119 29.599 29.700 0.030 0.000 0.743 596 E HN 0.414 nan 8.360 nan 0.000 0.453 597 E N -0.080 120.092 120.200 -0.048 0.000 2.047 597 E HA -0.143 4.208 4.350 0.001 0.000 0.191 597 E C 1.967 178.452 176.600 -0.192 0.000 0.987 597 E CA 1.394 57.702 56.400 -0.153 0.000 0.799 597 E CB -0.137 29.424 29.700 -0.232 0.000 0.752 597 E HN 0.138 nan 8.360 nan 0.000 0.449 598 V N 1.282 121.130 119.914 -0.109 0.000 2.270 598 V HA -0.237 3.883 4.120 0.001 0.000 0.245 598 V C 1.849 177.885 176.094 -0.097 0.000 1.043 598 V CA 2.176 64.417 62.300 -0.099 0.000 1.014 598 V CB -0.665 31.149 31.823 -0.014 0.000 0.645 598 V HN 0.275 nan 8.190 nan 0.000 0.447 599 D N 0.028 120.384 120.400 -0.072 0.000 2.149 599 D HA -0.175 4.465 4.640 0.001 0.000 0.198 599 D C 2.057 178.301 176.300 -0.093 0.000 0.990 599 D CA 1.626 55.584 54.000 -0.070 0.000 0.839 599 D CB -0.399 40.370 40.800 -0.053 0.000 0.948 599 D HN 0.462 nan 8.370 nan 0.000 0.460 600 N N 0.336 118.964 118.700 -0.119 0.000 2.171 600 N HA -0.097 4.644 4.740 0.001 0.000 0.184 600 N C 1.309 176.740 175.510 -0.133 0.000 1.021 600 N CA 0.922 53.887 53.050 -0.141 0.000 0.854 600 N CB -0.022 38.361 38.487 -0.173 0.000 0.994 600 N HN -0.024 nan 8.380 nan 0.000 0.426 601 N N -0.203 118.404 118.700 -0.155 0.000 2.188 601 N HA -0.082 4.658 4.740 0.001 0.000 0.184 601 N C 1.624 177.057 175.510 -0.129 0.000 1.018 601 N CA 0.809 53.763 53.050 -0.161 0.000 0.858 601 N CB -0.783 37.572 38.487 -0.220 0.000 0.989 601 N HN 0.314 nan 8.380 nan 0.000 0.426 602 C N 0.838 120.066 119.300 -0.120 0.000 2.446 602 C HA -0.062 4.398 4.460 0.001 0.000 0.277 602 C C 2.833 177.776 174.990 -0.078 0.000 1.275 602 C CA 0.454 59.407 59.018 -0.109 0.000 1.727 602 C CB -0.919 26.757 27.740 -0.107 0.000 2.010 602 C HN 0.540 nan 8.230 nan 0.000 0.486 603 Q N 0.803 120.566 119.800 -0.061 0.000 2.050 603 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 603 Q C 2.206 178.195 176.000 -0.018 0.000 0.980 603 Q CA 2.119 57.904 55.803 -0.030 0.000 0.840 603 Q CB -0.117 28.600 28.738 -0.036 0.000 0.898 603 Q HN 0.617 nan 8.270 nan 0.000 0.424 604 S N 0.732 116.408 115.700 -0.040 0.000 2.356 604 S HA -0.152 4.319 4.470 0.001 0.000 0.223 604 S C 1.891 176.493 174.600 0.003 0.000 1.032 604 S CA 1.408 59.594 58.200 -0.023 0.000 1.005 604 S CB -0.316 62.849 63.200 -0.058 0.000 0.867 604 S HN 0.381 nan 8.310 nan 0.000 0.449 605 I N 1.309 121.861 120.570 -0.031 0.000 2.127 605 I HA -0.211 3.959 4.170 0.001 0.000 0.241 605 I C 2.172 178.310 176.117 0.034 0.000 1.075 605 I CA 1.218 62.512 61.300 -0.010 0.000 1.334 605 I CB -0.433 37.524 38.000 -0.072 0.000 1.040 605 I HN 0.208 nan 8.210 nan 0.000 0.405 606 L N 0.455 121.677 121.223 -0.001 0.000 2.079 606 L HA -0.170 4.170 4.340 0.001 0.000 0.210 606 L C 2.598 179.522 176.870 0.089 0.000 1.081 606 L CA 1.587 56.441 54.840 0.024 0.000 0.752 606 L CB -0.923 41.149 42.059 0.023 0.000 0.896 606 L HN 0.350 nan 8.230 nan 0.000 0.433 607 G N -1.423 107.436 108.800 0.097 0.000 2.402 607 G HA2 -0.329 3.632 3.960 0.001 0.000 0.216 607 G HA3 -0.329 3.632 3.960 0.001 0.000 0.216 607 G C 1.442 176.437 174.900 0.159 0.000 1.162 607 G CA 0.642 45.811 45.100 0.115 0.000 0.777 607 G HN 0.337 nan 8.290 nan 0.000 0.539 608 Y N 1.014 121.347 120.300 0.054 0.000 2.184 608 Y HA -0.017 4.534 4.550 0.001 0.000 0.290 608 Y C 2.784 178.764 175.900 0.134 0.000 1.129 608 Y CA 1.382 59.536 58.100 0.090 0.000 1.144 608 Y CB -0.266 38.232 38.460 0.063 0.000 0.995 608 Y HN 0.015 nan 8.280 nan 0.000 0.513 609 V N -0.812 119.141 119.914 0.066 0.000 2.626 609 V HA -0.216 3.905 4.120 0.001 0.000 0.252 609 V C 2.352 178.445 176.094 -0.002 0.000 1.067 609 V CA 1.411 63.697 62.300 -0.024 0.000 1.081 609 V CB -0.523 31.299 31.823 -0.001 0.000 0.686 609 V HN 0.412 nan 8.190 nan 0.000 0.468 610 V N 0.180 120.114 119.914 0.034 0.000 2.307 610 V HA -0.249 3.872 4.120 0.001 0.000 0.245 610 V C 2.631 178.718 176.094 -0.012 0.000 1.045 610 V CA 2.192 64.516 62.300 0.041 0.000 1.024 610 V CB -0.343 31.576 31.823 0.159 0.000 0.651 610 V HN 0.490 nan 8.190 nan 0.000 0.449 611 R N -1.894 118.610 120.500 0.007 0.000 2.115 611 R HA -0.145 4.195 4.340 0.001 0.000 0.226 611 R C 2.009 178.225 176.300 -0.140 0.000 1.100 611 R CA 1.777 57.848 56.100 -0.048 0.000 0.980 611 R CB -0.438 29.850 30.300 -0.020 0.000 0.875 611 R HN 0.688 nan 8.270 nan 0.000 0.445 612 W N 0.526 121.610 121.300 -0.361 0.000 2.332 612 W HA -0.258 4.403 4.660 0.001 0.000 0.321 612 W C 1.891 178.238 176.519 -0.287 0.000 1.219 612 W CA 1.498 58.616 57.345 -0.378 0.000 1.277 612 W CB -0.117 29.019 29.460 -0.540 0.000 1.161 612 W HN -0.198 nan 8.180 nan 0.000 0.476 613 V N -0.269 119.712 119.914 0.112 0.000 2.488 613 V HA -0.217 3.904 4.120 0.001 0.000 0.246 613 V C 1.333 177.103 176.094 -0.541 0.000 1.046 613 V CA 2.099 64.383 62.300 -0.027 0.000 1.053 613 V CB -0.749 31.068 31.823 -0.010 0.000 0.679 613 V HN 0.009 nan 8.190 nan 0.000 0.458 614 D N -0.597 119.416 120.400 -0.646 0.000 2.289 614 D HA -0.016 4.624 4.640 0.001 0.000 0.207 614 D C 1.993 177.907 176.300 -0.643 0.000 0.966 614 D CA 0.789 54.122 54.000 -1.111 0.000 0.868 614 D CB 0.214 40.672 40.800 -0.570 0.000 0.943 614 D HN 0.488 nan 8.370 nan 0.000 0.514 615 Q N -1.479 118.097 119.800 -0.374 0.000 2.081 615 Q HA 0.248 4.589 4.340 0.001 0.000 0.220 615 Q C 0.625 176.468 176.000 -0.262 0.000 0.775 615 Q CA 0.248 55.912 55.803 -0.230 0.000 0.983 615 Q CB 1.800 30.450 28.738 -0.146 0.000 1.188 615 Q HN 0.114 nan 8.270 nan 0.000 0.458 616 G N 1.866 110.447 108.800 -0.365 0.000 2.356 616 G HA2 -0.244 3.716 3.960 0.001 0.000 0.296 616 G HA3 -0.244 3.716 3.960 0.001 0.000 0.296 616 G C -0.062 174.526 174.900 -0.521 0.000 1.022 616 G CA 0.273 45.048 45.100 -0.541 0.000 0.961 616 G HN 0.182 nan 8.290 nan 0.000 0.510 617 V N -0.063 119.572 119.914 -0.465 0.000 2.364 617 V HA 0.620 4.740 4.120 0.001 0.000 0.272 617 V C 1.445 177.244 176.094 -0.492 0.000 1.036 617 V CA 0.412 62.490 62.300 -0.371 0.000 0.880 617 V CB 1.403 33.104 31.823 -0.202 0.000 0.991 617 V HN 0.560 nan 8.190 nan 0.000 0.460 618 G N 2.609 111.173 108.800 -0.393 0.000 3.088 618 G HA2 0.132 4.092 3.960 0.001 0.000 0.217 618 G HA3 0.132 4.092 3.960 0.001 0.000 0.217 618 G C 0.212 175.295 174.900 0.305 0.000 1.159 618 G CA 0.235 45.237 45.100 -0.164 0.000 0.760 618 G HN 0.682 nan 8.290 nan 0.000 0.550 619 C N 1.552 120.969 119.300 0.195 0.000 2.789 619 C HA 0.696 5.157 4.460 0.001 0.000 0.367 619 C C -0.555 174.573 174.990 0.229 0.000 1.062 619 C CA -0.691 58.511 59.018 0.305 0.000 1.297 619 C CB 0.070 27.940 27.740 0.217 0.000 1.794 619 C HN 0.227 nan 8.230 nan 0.000 0.474 620 S N 4.072 119.947 115.700 0.291 0.000 2.570 620 S HA 0.624 5.095 4.470 0.001 0.000 0.286 620 S C -1.286 173.421 174.600 0.178 0.000 1.099 620 S CA -1.007 57.310 58.200 0.195 0.000 0.913 620 S CB 1.533 64.822 63.200 0.148 0.000 1.085 620 S HN 0.800 nan 8.310 nan 0.000 0.480 621 K N 0.626 121.103 120.400 0.128 0.000 2.316 621 K HA 0.544 4.865 4.320 0.001 0.000 0.289 621 K C -1.192 175.456 176.600 0.080 0.000 1.070 621 K CA -0.604 55.741 56.287 0.096 0.000 0.928 621 K CB 0.416 32.965 32.500 0.081 0.000 1.039 621 K HN 0.287 nan 8.250 nan 0.000 0.480 622 V N 4.532 124.490 119.914 0.073 0.000 2.376 622 V HA 0.234 4.355 4.120 0.001 0.000 0.287 622 V C -2.315 173.798 176.094 0.031 0.000 1.015 622 V CA -2.407 59.927 62.300 0.057 0.000 0.834 622 V CB 1.325 33.197 31.823 0.081 0.000 1.001 622 V HN 0.719 nan 8.190 nan 0.000 0.428 623 P HA 0.101 nan 4.420 nan 0.000 0.266 623 P C -0.671 176.625 177.300 -0.007 0.000 1.195 623 P CA 0.110 63.217 63.100 0.012 0.000 0.768 623 P CB 0.506 32.213 31.700 0.011 0.000 0.838 624 D N 2.201 122.590 120.400 -0.018 0.000 2.539 624 D HA 0.086 4.726 4.640 0.001 0.000 0.276 624 D C 1.169 177.403 176.300 -0.110 0.000 1.206 624 D CA -0.572 53.389 54.000 -0.065 0.000 1.081 624 D CB -0.035 40.722 40.800 -0.071 0.000 1.142 624 D HN 0.119 nan 8.370 nan 0.000 0.595 625 I N -0.357 120.076 120.570 -0.229 0.000 2.381 625 I HA -0.272 3.899 4.170 0.001 0.000 0.255 625 I C 1.263 177.212 176.117 -0.278 0.000 1.140 625 I CA 1.481 62.601 61.300 -0.299 0.000 1.404 625 I CB -0.296 37.446 38.000 -0.431 0.000 1.075 625 I HN 0.339 nan 8.210 nan 0.000 0.433 626 H N 0.100 119.168 119.070 -0.003 0.000 2.505 626 H HA 0.173 4.729 4.556 0.001 0.000 0.289 626 H C 0.100 175.430 175.328 0.003 0.000 1.052 626 H CA 0.251 56.299 56.048 0.001 0.000 1.156 626 H CB -0.357 29.405 29.762 -0.001 0.000 1.507 626 H HN 0.268 nan 8.280 nan 0.000 0.548 627 D N 0.724 121.161 120.400 0.063 0.000 2.792 627 D HA -0.151 4.489 4.640 0.001 0.000 0.231 627 D C -0.059 176.273 176.300 0.054 0.000 1.160 627 D CA 0.367 54.394 54.000 0.045 0.000 0.697 627 D CB -1.457 39.366 40.800 0.038 0.000 1.070 627 D HN 0.161 nan 8.370 nan 0.000 0.426 628 V N 0.547 120.501 119.914 0.067 0.000 2.455 628 V HA 0.369 4.489 4.120 0.001 0.000 0.273 628 V C 1.083 177.197 176.094 0.034 0.000 1.045 628 V CA -0.304 62.029 62.300 0.054 0.000 0.976 628 V CB 1.449 33.309 31.823 0.060 0.000 0.993 628 V HN 0.336 nan 8.190 nan 0.000 0.475 629 A N 7.525 130.367 122.820 0.037 0.000 2.444 629 A HA 0.565 4.886 4.320 0.001 0.000 0.287 629 A C -0.332 177.269 177.584 0.029 0.000 1.195 629 A CA -0.058 52.001 52.037 0.036 0.000 0.858 629 A CB -0.420 18.608 19.000 0.046 0.000 1.117 629 A HN 0.799 nan 8.150 nan 0.000 0.521 630 L N 2.982 124.215 121.223 0.017 0.000 2.329 630 L HA 0.399 4.739 4.340 0.001 0.000 0.279 630 L C 0.438 177.321 176.870 0.022 0.000 1.014 630 L CA -0.427 54.411 54.840 -0.004 0.000 0.814 630 L CB 1.853 43.893 42.059 -0.031 0.000 1.257 630 L HN 0.717 nan 8.230 nan 0.000 0.424 631 M N 3.654 123.267 119.600 0.023 0.000 2.303 631 M HA 0.065 4.546 4.480 0.001 0.000 0.350 631 M C -0.492 175.818 176.300 0.016 0.000 1.518 631 M CA 0.374 55.704 55.300 0.050 0.000 1.070 631 M CB 0.211 32.851 32.600 0.067 0.000 1.910 631 M HN 0.454 nan 8.290 nan 0.000 0.458 632 E N 3.907 124.136 120.200 0.047 0.000 2.183 632 E HA 0.357 4.707 4.350 0.001 0.000 0.271 632 E C -0.996 175.520 176.600 -0.141 0.000 0.919 632 E CA -0.389 55.957 56.400 -0.089 0.000 0.781 632 E CB 1.837 31.533 29.700 -0.008 0.000 1.140 632 E HN 0.649 nan 8.360 nan 0.000 0.402 633 D N 0.563 120.720 120.400 -0.406 0.000 2.744 633 D HA 0.225 4.865 4.640 0.001 0.000 0.304 633 D C 0.628 176.607 176.300 -0.535 0.000 1.179 633 D CA -0.736 53.099 54.000 -0.275 0.000 1.024 633 D CB 0.766 41.588 40.800 0.035 0.000 1.453 633 D HN 0.135 nan 8.370 nan 0.000 0.529 634 R N -0.490 119.950 120.500 -0.100 0.000 2.120 634 R HA 0.004 4.344 4.340 0.001 0.000 0.234 634 R C 2.049 178.286 176.300 -0.106 0.000 1.123 634 R CA 1.850 57.913 56.100 -0.062 0.000 0.975 634 R CB -0.453 29.924 30.300 0.128 0.000 0.866 634 R HN 0.546 nan 8.270 nan 0.000 0.446 635 A N 0.130 122.901 122.820 -0.081 0.000 1.877 635 A HA -0.196 4.124 4.320 0.001 0.000 0.216 635 A C 2.185 179.671 177.584 -0.164 0.000 1.186 635 A CA 2.123 54.105 52.037 -0.091 0.000 0.620 635 A CB -1.039 17.910 19.000 -0.086 0.000 0.822 635 A HN 0.520 nan 8.150 nan 0.000 0.443 636 T N -1.788 112.633 114.554 -0.222 0.000 2.867 636 T HA -0.105 4.246 4.350 0.001 0.000 0.268 636 T C 1.746 176.314 174.700 -0.221 0.000 1.057 636 T CA 1.365 63.329 62.100 -0.226 0.000 1.136 636 T CB -0.462 68.269 68.868 -0.227 0.000 0.874 636 T HN 0.244 nan 8.240 nan 0.000 0.466 637 L N 1.464 122.519 121.223 -0.280 0.000 2.046 637 L HA 0.135 4.476 4.340 0.001 0.000 0.208 637 L C 2.758 179.543 176.870 -0.142 0.000 1.077 637 L CA 1.778 56.489 54.840 -0.214 0.000 0.747 637 L CB -0.806 41.119 42.059 -0.223 0.000 0.896 637 L HN 0.213 nan 8.230 nan 0.000 0.432 638 R N -0.305 120.122 120.500 -0.122 0.000 2.081 638 R HA -0.158 4.183 4.340 0.001 0.000 0.235 638 R C 2.282 178.521 176.300 -0.101 0.000 1.131 638 R CA 2.127 58.175 56.100 -0.087 0.000 0.960 638 R CB -0.406 29.869 30.300 -0.042 0.000 0.856 638 R HN 0.505 nan 8.270 nan 0.000 0.436 639 I N 0.299 120.799 120.570 -0.116 0.000 2.099 639 I HA -0.303 3.868 4.170 0.001 0.000 0.239 639 I C 2.339 178.373 176.117 -0.139 0.000 1.066 639 I CA 1.556 62.786 61.300 -0.116 0.000 1.324 639 I CB -0.480 37.450 38.000 -0.117 0.000 1.037 639 I HN 0.208 nan 8.210 nan 0.000 0.401 640 S N 0.931 116.541 115.700 -0.150 0.000 2.368 640 S HA -0.243 4.227 4.470 0.001 0.000 0.226 640 S C 2.197 176.696 174.600 -0.168 0.000 1.044 640 S CA 2.190 60.288 58.200 -0.169 0.000 1.062 640 S CB -0.534 62.575 63.200 -0.151 0.000 0.931 640 S HN 0.650 nan 8.310 nan 0.000 0.440 641 S N 1.278 116.898 115.700 -0.133 0.000 2.368 641 S HA -0.104 4.367 4.470 0.001 0.000 0.224 641 S C 1.868 176.408 174.600 -0.100 0.000 1.029 641 S CA 0.752 58.883 58.200 -0.113 0.000 0.988 641 S CB -0.493 62.651 63.200 -0.093 0.000 0.838 641 S HN 0.298 nan 8.310 nan 0.000 0.462 642 Q N 0.929 120.676 119.800 -0.089 0.000 2.084 642 Q HA 0.076 4.416 4.340 0.001 0.000 0.202 642 Q C 2.296 178.242 176.000 -0.089 0.000 0.978 642 Q CA 0.859 56.629 55.803 -0.054 0.000 0.844 642 Q CB -0.822 27.895 28.738 -0.035 0.000 0.898 642 Q HN 0.459 nan 8.270 nan 0.000 0.426 643 L N 0.600 121.723 121.223 -0.168 0.000 1.989 643 L HA -0.186 4.155 4.340 0.001 0.000 0.211 643 L C 2.249 178.894 176.870 -0.375 0.000 1.071 643 L CA 1.560 56.219 54.840 -0.302 0.000 0.749 643 L CB -0.856 40.945 42.059 -0.429 0.000 0.890 643 L HN 0.262 nan 8.230 nan 0.000 0.431 644 L N -0.185 120.847 121.223 -0.318 0.000 2.042 644 L HA -0.217 4.124 4.340 0.001 0.000 0.210 644 L C 2.833 179.676 176.870 -0.044 0.000 1.076 644 L CA 1.302 56.021 54.840 -0.203 0.000 0.749 644 L CB -0.837 41.121 42.059 -0.169 0.000 0.893 644 L HN 0.333 nan 8.230 nan 0.000 0.432 645 A N 0.104 122.900 122.820 -0.039 0.000 1.933 645 A HA -0.258 4.063 4.320 0.001 0.000 0.218 645 A C 2.178 179.794 177.584 0.053 0.000 1.175 645 A CA 2.052 54.092 52.037 0.006 0.000 0.628 645 A CB -0.782 18.221 19.000 0.005 0.000 0.814 645 A HN 0.568 nan 8.150 nan 0.000 0.444 646 N N -1.406 117.347 118.700 0.090 0.000 2.171 646 N HA -0.181 4.560 4.740 0.001 0.000 0.184 646 N C 1.652 177.407 175.510 0.408 0.000 1.021 646 N CA 1.521 54.700 53.050 0.216 0.000 0.854 646 N CB -0.256 38.355 38.487 0.206 0.000 0.994 646 N HN 0.575 nan 8.380 nan 0.000 0.426 647 W N 1.334 122.646 121.300 0.019 0.000 2.363 647 W HA -0.057 4.603 4.660 0.001 0.000 0.296 647 W C 2.217 178.738 176.519 0.002 0.000 1.212 647 W CA 0.068 57.414 57.345 0.002 0.000 1.260 647 W CB -1.050 28.355 29.460 -0.092 0.000 1.131 647 W HN 0.144 nan 8.180 nan 0.000 0.530 648 L N 0.690 122.041 121.223 0.213 0.000 2.005 648 L HA -0.109 4.232 4.340 0.001 0.000 0.207 648 L C 2.527 179.410 176.870 0.021 0.000 1.072 648 L CA 1.851 56.743 54.840 0.087 0.000 0.744 648 L CB -0.996 41.092 42.059 0.047 0.000 0.895 648 L HN -0.201 nan 8.230 nan 0.000 0.433 649 R N -0.570 119.912 120.500 -0.030 0.000 2.103 649 R HA -0.147 4.194 4.340 0.001 0.000 0.242 649 R C 1.958 178.051 176.300 -0.345 0.000 1.142 649 R CA 1.504 57.463 56.100 -0.236 0.000 0.960 649 R CB -0.789 29.258 30.300 -0.422 0.000 0.858 649 R HN 0.591 nan 8.270 nan 0.000 0.439 650 H N -1.466 117.622 119.070 0.031 0.000 2.551 650 H HA 0.166 4.723 4.556 0.001 0.000 0.271 650 H C 0.981 176.302 175.328 -0.011 0.000 0.984 650 H CA 0.740 56.791 56.048 0.006 0.000 1.164 650 H CB 0.603 30.370 29.762 0.008 0.000 1.437 650 H HN 0.431 nan 8.280 nan 0.000 0.550 651 G N 0.920 109.747 108.800 0.046 0.000 2.143 651 G HA2 -0.324 3.637 3.960 0.001 0.000 0.249 651 G HA3 -0.324 3.637 3.960 0.001 0.000 0.249 651 G C 1.292 176.192 174.900 -0.000 0.000 0.981 651 G CA 0.543 45.653 45.100 0.018 0.000 0.665 651 G HN 0.321 nan 8.290 nan 0.000 0.528 652 V N 0.471 120.370 119.914 -0.025 0.000 2.490 652 V HA 0.096 4.216 4.120 0.001 0.000 0.250 652 V C 1.638 177.691 176.094 -0.068 0.000 1.061 652 V CA 2.199 64.412 62.300 -0.144 0.000 1.064 652 V CB -0.641 30.882 31.823 -0.500 0.000 0.670 652 V HN 0.894 nan 8.190 nan 0.000 0.461 653 I N -2.693 117.891 120.570 0.023 0.000 2.969 653 I HA 0.695 4.865 4.170 0.001 0.000 0.307 653 I C -0.392 175.748 176.117 0.037 0.000 1.149 653 I CA -0.663 60.667 61.300 0.050 0.000 1.008 653 I CB 2.400 40.465 38.000 0.108 0.000 1.232 653 I HN 0.048 nan 8.210 nan 0.000 0.435 654 T N -0.751 113.819 114.554 0.026 0.000 2.925 654 T HA 0.293 4.644 4.350 0.001 0.000 0.285 654 T C 1.086 175.795 174.700 0.015 0.000 1.021 654 T CA -0.045 62.064 62.100 0.016 0.000 1.042 654 T CB 1.639 70.514 68.868 0.011 0.000 1.037 654 T HN 0.860 nan 8.240 nan 0.000 0.481 655 S N 1.541 117.246 115.700 0.009 0.000 2.419 655 S HA -0.138 4.332 4.470 0.001 0.000 0.235 655 S C 2.364 176.966 174.600 0.004 0.000 1.019 655 S CA 0.759 58.962 58.200 0.004 0.000 0.982 655 S CB -1.150 62.051 63.200 0.003 0.000 0.789 655 S HN 1.056 nan 8.310 nan 0.000 0.490 656 A N 2.522 125.346 122.820 0.008 0.000 1.892 656 A HA -0.183 4.137 4.320 0.001 0.000 0.218 656 A C 2.020 179.607 177.584 0.004 0.000 1.188 656 A CA 1.880 53.922 52.037 0.008 0.000 0.631 656 A CB -1.003 18.003 19.000 0.010 0.000 0.822 656 A HN 0.515 nan 8.150 nan 0.000 0.447 657 D N -0.402 120.002 120.400 0.006 0.000 2.117 657 D HA -0.099 4.541 4.640 0.001 0.000 0.197 657 D C 2.133 178.429 176.300 -0.007 0.000 0.987 657 D CA 1.451 55.454 54.000 0.005 0.000 0.829 657 D CB -0.475 40.335 40.800 0.017 0.000 0.961 657 D HN 0.219 nan 8.370 nan 0.000 0.460 658 V N 1.117 121.025 119.914 -0.011 0.000 2.237 658 V HA -0.254 3.867 4.120 0.001 0.000 0.245 658 V C 2.547 178.612 176.094 -0.048 0.000 1.046 658 V CA 1.551 63.830 62.300 -0.034 0.000 1.007 658 V CB -0.425 31.377 31.823 -0.035 0.000 0.638 658 V HN 0.049 nan 8.190 nan 0.000 0.445 659 R N 1.041 121.525 120.500 -0.027 0.000 2.096 659 R HA -0.166 4.174 4.340 0.001 0.000 0.240 659 R C 2.155 178.432 176.300 -0.037 0.000 1.139 659 R CA 2.185 58.277 56.100 -0.012 0.000 0.952 659 R CB -1.253 29.056 30.300 0.015 0.000 0.854 659 R HN 0.482 nan 8.270 nan 0.000 0.436 660 A N -0.992 121.809 122.820 -0.033 0.000 1.933 660 A HA -0.129 4.191 4.320 0.001 0.000 0.218 660 A C 2.345 179.896 177.584 -0.054 0.000 1.175 660 A CA 1.975 53.988 52.037 -0.041 0.000 0.628 660 A CB -0.948 18.043 19.000 -0.015 0.000 0.814 660 A HN 0.465 nan 8.150 nan 0.000 0.444 661 S N -0.646 115.025 115.700 -0.048 0.000 2.383 661 S HA -0.050 4.420 4.470 0.001 0.000 0.227 661 S C 1.902 176.461 174.600 -0.068 0.000 1.026 661 S CA 1.214 59.383 58.200 -0.050 0.000 0.981 661 S CB -0.482 62.689 63.200 -0.049 0.000 0.818 661 S HN 0.490 nan 8.310 nan 0.000 0.472 662 L N 1.052 122.218 121.223 -0.095 0.000 2.017 662 L HA -0.074 4.267 4.340 0.001 0.000 0.208 662 L C 2.677 179.512 176.870 -0.058 0.000 1.073 662 L CA 1.498 56.272 54.840 -0.110 0.000 0.745 662 L CB -0.579 41.324 42.059 -0.260 0.000 0.894 662 L HN 0.360 nan 8.230 nan 0.000 0.432 663 E N 0.136 120.203 120.200 -0.221 0.000 2.077 663 E HA -0.252 4.098 4.350 0.001 0.000 0.193 663 E C 2.245 178.769 176.600 -0.127 0.000 0.989 663 E CA 1.248 57.324 56.400 -0.541 0.000 0.800 663 E CB -0.152 29.145 29.700 -0.672 0.000 0.746 663 E HN 0.467 nan 8.360 nan 0.000 0.452 664 R N 0.363 120.838 120.500 -0.042 0.000 2.153 664 R HA -0.051 4.290 4.340 0.001 0.000 0.218 664 R C 1.813 178.141 176.300 0.046 0.000 1.072 664 R CA 0.867 56.984 56.100 0.028 0.000 0.990 664 R CB 0.014 30.327 30.300 0.022 0.000 0.889 664 R HN 0.055 nan 8.270 nan 0.000 0.452 665 M N 1.061 120.678 119.600 0.028 0.000 2.236 665 M HA 0.142 4.622 4.480 0.001 0.000 0.266 665 M C 2.422 178.783 176.300 0.101 0.000 1.070 665 M CA 1.290 56.615 55.300 0.042 0.000 1.137 665 M CB -1.141 31.461 32.600 0.004 0.000 1.378 665 M HN 0.306 nan 8.290 nan 0.000 0.426 666 A N 1.628 124.545 122.820 0.162 0.000 1.865 666 A HA -0.110 4.210 4.320 0.001 0.000 0.217 666 A C -0.254 177.486 177.584 0.261 0.000 1.191 666 A CA 1.701 53.901 52.037 0.272 0.000 0.623 666 A CB -2.198 17.088 19.000 0.477 0.000 0.826 666 A HN 0.355 nan 8.150 nan 0.000 0.444 667 P HA -0.132 nan 4.420 nan 0.000 0.219 667 P C 1.276 178.650 177.300 0.125 0.000 1.146 667 P CA 0.772 63.984 63.100 0.188 0.000 0.808 667 P CB -0.153 31.650 31.700 0.173 0.000 0.779 668 L N -0.927 120.357 121.223 0.101 0.000 2.109 668 L HA -0.062 4.279 4.340 0.001 0.000 0.207 668 L C 2.651 179.549 176.870 0.047 0.000 1.086 668 L CA 1.276 56.152 54.840 0.060 0.000 0.760 668 L CB -1.806 40.278 42.059 0.041 0.000 0.910 668 L HN -0.097 nan 8.230 nan 0.000 0.437 669 V N 0.103 120.058 119.914 0.070 0.000 2.343 669 V HA -0.266 3.854 4.120 0.001 0.000 0.247 669 V C 2.296 178.398 176.094 0.013 0.000 1.051 669 V CA 1.613 63.946 62.300 0.054 0.000 1.036 669 V CB -0.497 31.393 31.823 0.112 0.000 0.654 669 V HN 0.344 nan 8.190 nan 0.000 0.451 670 D N -0.125 120.348 120.400 0.123 0.000 2.106 670 D HA -0.179 4.461 4.640 0.001 0.000 0.191 670 D C 2.348 178.637 176.300 -0.019 0.000 0.997 670 D CA 1.096 55.181 54.000 0.140 0.000 0.834 670 D CB -0.429 40.531 40.800 0.267 0.000 0.956 670 D HN 0.185 nan 8.370 nan 0.000 0.448 671 R N 0.423 120.934 120.500 0.019 0.000 2.159 671 R HA -0.181 4.160 4.340 0.001 0.000 0.249 671 R C 2.094 178.360 176.300 -0.057 0.000 1.136 671 R CA 1.360 57.456 56.100 -0.006 0.000 0.951 671 R CB -0.541 29.767 30.300 0.013 0.000 0.876 671 R HN 0.406 nan 8.270 nan 0.000 0.440 672 Q N -0.384 119.369 119.800 -0.079 0.000 2.297 672 Q HA -0.070 4.270 4.340 0.001 0.000 0.204 672 Q C 0.716 176.604 176.000 -0.186 0.000 0.962 672 Q CA 1.030 56.773 55.803 -0.099 0.000 0.879 672 Q CB -0.100 28.596 28.738 -0.071 0.000 0.947 672 Q HN 0.429 nan 8.270 nan 0.000 0.462 673 N N -0.452 118.031 118.700 -0.361 0.000 2.214 673 N HA 0.193 4.934 4.740 0.001 0.000 0.214 673 N C -0.621 174.648 175.510 -0.402 0.000 1.132 673 N CA -0.110 52.591 53.050 -0.582 0.000 0.856 673 N CB 0.896 38.517 38.487 -1.443 0.000 1.020 673 N HN 0.046 nan 8.380 nan 0.000 0.509 674 A N 0.367 123.067 122.820 -0.200 0.000 2.331 674 A HA 0.680 5.000 4.320 0.001 0.000 0.283 674 A C 0.812 178.373 177.584 -0.038 0.000 1.142 674 A CA -0.502 51.495 52.037 -0.066 0.000 0.812 674 A CB 0.279 19.268 19.000 -0.019 0.000 1.074 674 A HN 0.193 nan 8.150 nan 0.000 0.497 675 G N 0.916 109.714 108.800 -0.005 0.000 2.476 675 G HA2 0.498 4.458 3.960 0.001 0.000 0.269 675 G HA3 0.498 4.458 3.960 0.001 0.000 0.269 675 G C -1.079 173.830 174.900 0.015 0.000 1.195 675 G CA -0.331 44.782 45.100 0.022 0.000 0.843 675 G HN 0.635 nan 8.290 nan 0.000 0.545 676 D N 0.641 121.074 120.400 0.055 0.000 2.344 676 D HA 0.275 4.915 4.640 0.001 0.000 0.239 676 D C 1.708 178.070 176.300 0.103 0.000 1.064 676 D CA -0.564 53.479 54.000 0.070 0.000 0.829 676 D CB 1.891 42.741 40.800 0.083 0.000 1.129 676 D HN 0.172 nan 8.370 nan 0.000 0.506 677 V N 1.429 121.383 119.914 0.067 0.000 2.363 677 V HA -0.333 3.787 4.120 0.001 0.000 0.254 677 V C 2.034 178.172 176.094 0.072 0.000 1.074 677 V CA 2.121 64.458 62.300 0.061 0.000 1.069 677 V CB -1.195 30.651 31.823 0.039 0.000 0.659 677 V HN 0.551 nan 8.190 nan 0.000 0.455 678 A N -0.641 122.225 122.820 0.076 0.000 1.908 678 A HA -0.151 4.169 4.320 0.001 0.000 0.218 678 A C 1.468 179.116 177.584 0.107 0.000 1.181 678 A CA 1.238 53.322 52.037 0.078 0.000 0.627 678 A CB -0.806 18.230 19.000 0.061 0.000 0.818 678 A HN 0.740 nan 8.150 nan 0.000 0.445 679 Y N 1.626 121.935 120.300 0.015 0.000 2.677 679 Y HA 0.243 4.794 4.550 0.001 0.000 0.335 679 Y C 0.917 176.837 175.900 0.034 0.000 1.162 679 Y CA 0.454 58.564 58.100 0.018 0.000 1.483 679 Y CB 0.069 38.537 38.460 0.015 0.000 1.209 679 Y HN 0.229 nan 8.280 nan 0.000 0.528 680 R N 8.054 128.295 120.500 -0.432 0.000 2.207 680 R HA 0.467 4.808 4.340 0.001 0.000 0.334 680 R C -3.049 172.885 176.300 -0.609 0.000 1.013 680 R CA -1.867 54.036 56.100 -0.329 0.000 0.858 680 R CB -0.049 30.179 30.300 -0.119 0.000 1.094 680 R HN 0.643 nan 8.270 nan 0.000 0.457 681 P HA 0.171 nan 4.420 nan 0.000 0.271 681 P C 0.687 177.944 177.300 -0.072 0.000 1.216 681 P CA -0.125 62.915 63.100 -0.100 0.000 0.771 681 P CB 0.588 32.331 31.700 0.072 0.000 0.864 682 M N 1.595 121.227 119.600 0.053 0.000 2.077 682 M HA -0.058 4.422 4.480 0.001 0.000 0.261 682 M C 1.045 177.349 176.300 0.007 0.000 1.070 682 M CA 1.535 56.906 55.300 0.120 0.000 1.125 682 M CB -0.362 32.438 32.600 0.334 0.000 1.339 682 M HN 0.366 nan 8.290 nan 0.000 0.409 683 A N 0.082 122.920 122.820 0.031 0.000 2.302 683 A HA 0.384 4.705 4.320 0.001 0.000 0.285 683 A C -1.837 175.610 177.584 -0.229 0.000 1.105 683 A CA -1.315 50.597 52.037 -0.207 0.000 0.816 683 A CB -0.293 18.770 19.000 0.105 0.000 1.067 683 A HN 0.170 nan 8.150 nan 0.000 0.489 684 P HA 0.013 nan 4.420 nan 0.000 0.236 684 P C -0.102 176.496 177.300 -1.171 0.000 1.177 684 P CA 0.533 63.195 63.100 -0.731 0.000 0.773 684 P CB 0.120 31.584 31.700 -0.392 0.000 0.878 685 N N 0.372 118.669 118.700 -0.672 0.000 3.124 685 N HA 0.110 4.851 4.740 0.001 0.000 0.284 685 N C 0.542 175.783 175.510 -0.448 0.000 1.209 685 N CA -0.071 52.681 53.050 -0.496 0.000 1.149 685 N CB -0.257 38.076 38.487 -0.256 0.000 1.434 685 N HN 0.187 nan 8.380 nan 0.000 0.529 686 F N 0.575 120.300 119.950 -0.374 0.000 2.126 686 F HA -0.166 4.362 4.527 0.001 0.000 0.299 686 F C 1.773 177.236 175.800 -0.561 0.000 1.096 686 F CA 0.719 58.225 58.000 -0.823 0.000 1.255 686 F CB 0.127 38.323 39.000 -1.340 0.000 0.997 686 F HN 0.167 nan 8.300 nan 0.000 0.479 687 D N -0.489 119.844 120.400 -0.112 0.000 2.349 687 D HA -0.092 4.549 4.640 0.001 0.000 0.224 687 D C 0.856 177.169 176.300 0.022 0.000 1.029 687 D CA 0.796 54.798 54.000 0.005 0.000 0.879 687 D CB -0.217 40.601 40.800 0.030 0.000 0.906 687 D HN 0.392 nan 8.370 nan 0.000 0.528 688 D N -0.399 119.991 120.400 -0.017 0.000 2.340 688 D HA -0.025 4.615 4.640 0.001 0.000 0.217 688 D C -0.182 176.145 176.300 0.045 0.000 1.081 688 D CA -0.023 53.979 54.000 0.004 0.000 0.842 688 D CB 0.411 41.193 40.800 -0.031 0.000 0.934 688 D HN -0.196 nan 8.370 nan 0.000 0.511 689 S N 0.557 116.306 115.700 0.082 0.000 2.461 689 S HA 0.211 4.681 4.470 0.001 0.000 0.322 689 S C 1.593 176.315 174.600 0.203 0.000 1.063 689 S CA -0.862 57.422 58.200 0.140 0.000 1.120 689 S CB 0.030 63.327 63.200 0.162 0.000 0.968 689 S HN 0.123 nan 8.310 nan 0.000 0.467 690 I N 4.360 125.046 120.570 0.193 0.000 2.113 690 I HA -0.237 3.933 4.170 0.001 0.000 0.242 690 I C 2.727 178.939 176.117 0.159 0.000 1.064 690 I CA 2.012 63.428 61.300 0.192 0.000 1.320 690 I CB -2.071 36.086 38.000 0.262 0.000 1.028 690 I HN 0.727 nan 8.210 nan 0.000 0.406 691 A N 1.023 123.917 122.820 0.123 0.000 1.883 691 A HA -0.272 4.048 4.320 0.001 0.000 0.217 691 A C 2.364 180.022 177.584 0.123 0.000 1.186 691 A CA 1.828 53.908 52.037 0.072 0.000 0.624 691 A CB -1.243 17.762 19.000 0.009 0.000 0.822 691 A HN 0.456 nan 8.150 nan 0.000 0.444 692 F N 0.471 120.455 119.950 0.056 0.000 2.095 692 F HA -0.166 4.361 4.527 0.001 0.000 0.298 692 F C 1.862 177.693 175.800 0.052 0.000 1.104 692 F CA 1.899 59.943 58.000 0.074 0.000 1.232 692 F CB -0.135 38.950 39.000 0.140 0.000 0.987 692 F HN 0.143 nan 8.300 nan 0.000 0.475 693 L N -0.232 121.189 121.223 0.330 0.000 2.291 693 L HA -0.097 4.244 4.340 0.001 0.000 0.214 693 L C 2.718 179.612 176.870 0.039 0.000 1.120 693 L CA 0.717 55.677 54.840 0.200 0.000 0.799 693 L CB -1.006 41.180 42.059 0.212 0.000 0.925 693 L HN 0.267 nan 8.230 nan 0.000 0.446 694 A N 0.336 123.170 122.820 0.023 0.000 1.898 694 A HA -0.138 4.183 4.320 0.001 0.000 0.216 694 A C 2.581 180.113 177.584 -0.086 0.000 1.181 694 A CA 1.589 53.611 52.037 -0.024 0.000 0.620 694 A CB -0.607 18.380 19.000 -0.022 0.000 0.819 694 A HN 0.363 nan 8.150 nan 0.000 0.442 695 A N -0.782 121.957 122.820 -0.136 0.000 1.883 695 A HA -0.264 4.057 4.320 0.001 0.000 0.217 695 A C 2.211 179.651 177.584 -0.240 0.000 1.186 695 A CA 1.948 53.864 52.037 -0.201 0.000 0.624 695 A CB -0.699 18.139 19.000 -0.269 0.000 0.822 695 A HN 0.652 nan 8.150 nan 0.000 0.444 696 Q N -0.705 118.904 119.800 -0.319 0.000 2.061 696 Q HA -0.270 4.070 4.340 0.001 0.000 0.204 696 Q C 2.150 178.084 176.000 -0.111 0.000 0.984 696 Q CA 2.112 57.775 55.803 -0.233 0.000 0.846 696 Q CB -0.181 28.451 28.738 -0.177 0.000 0.902 696 Q HN 0.823 nan 8.270 nan 0.000 0.421 697 E N -0.055 120.102 120.200 -0.072 0.000 2.051 697 E HA -0.210 4.141 4.350 0.001 0.000 0.192 697 E C 2.054 178.624 176.600 -0.050 0.000 0.991 697 E CA 1.109 57.486 56.400 -0.038 0.000 0.799 697 E CB -0.155 29.536 29.700 -0.015 0.000 0.748 697 E HN 0.398 nan 8.360 nan 0.000 0.449 698 L N 0.466 121.647 121.223 -0.070 0.000 2.129 698 L HA -0.225 4.115 4.340 0.001 0.000 0.212 698 L C 2.321 179.151 176.870 -0.067 0.000 1.087 698 L CA 1.059 55.856 54.840 -0.071 0.000 0.757 698 L CB -0.256 41.750 42.059 -0.088 0.000 0.896 698 L HN 0.280 nan 8.230 nan 0.000 0.434 699 I N -1.250 119.273 120.570 -0.078 0.000 2.385 699 I HA -0.193 3.978 4.170 0.001 0.000 0.244 699 I C 2.059 178.149 176.117 -0.046 0.000 1.089 699 I CA 0.819 62.075 61.300 -0.073 0.000 1.410 699 I CB -0.065 37.878 38.000 -0.096 0.000 1.117 699 I HN 0.089 nan 8.210 nan 0.000 0.429 700 L N 0.073 121.271 121.223 -0.042 0.000 2.395 700 L HA -0.035 4.305 4.340 0.001 0.000 0.218 700 L C 1.728 178.591 176.870 -0.011 0.000 1.130 700 L CA 0.964 55.791 54.840 -0.023 0.000 0.826 700 L CB -0.412 41.635 42.059 -0.019 0.000 0.941 700 L HN 0.338 nan 8.230 nan 0.000 0.451 701 S N -1.849 113.844 115.700 -0.012 0.000 2.754 701 S HA 0.181 4.651 4.470 0.001 0.000 0.247 701 S C 1.508 176.111 174.600 0.005 0.000 1.031 701 S CA 0.084 58.285 58.200 0.000 0.000 1.014 701 S CB 0.595 63.795 63.200 0.001 0.000 0.918 701 S HN 0.254 nan 8.310 nan 0.000 0.519 702 G N 2.168 110.968 108.800 -0.000 0.000 2.418 702 G HA2 0.031 3.991 3.960 0.001 0.000 0.217 702 G HA3 0.031 3.991 3.960 0.001 0.000 0.217 702 G C 1.576 176.514 174.900 0.063 0.000 1.158 702 G CA 0.598 45.702 45.100 0.006 0.000 0.771 702 G HN 0.786 nan 8.290 nan 0.000 0.545 703 A N 0.188 123.051 122.820 0.071 0.000 2.076 703 A HA -0.072 4.249 4.320 0.001 0.000 0.220 703 A C 2.276 179.964 177.584 0.173 0.000 1.160 703 A CA 1.822 53.927 52.037 0.114 0.000 0.653 703 A CB -0.171 18.842 19.000 0.022 0.000 0.801 703 A HN 0.371 nan 8.150 nan 0.000 0.455 704 Q N -0.084 119.776 119.800 0.100 0.000 2.425 704 Q HA 0.075 4.416 4.340 0.001 0.000 0.204 704 Q C -0.039 175.996 176.000 0.057 0.000 0.933 704 Q CA 0.347 56.198 55.803 0.079 0.000 0.939 704 Q CB -0.040 28.723 28.738 0.041 0.000 1.044 704 Q HN 0.608 nan 8.270 nan 0.000 0.513 705 Q N 2.360 122.169 119.800 0.016 0.000 2.286 705 Q HA 0.261 4.602 4.340 0.001 0.000 0.257 705 Q C -2.190 173.686 176.000 -0.207 0.000 0.941 705 Q CA -2.223 53.539 55.803 -0.069 0.000 0.912 705 Q CB 0.523 29.207 28.738 -0.090 0.000 1.192 705 Q HN 0.075 nan 8.270 nan 0.000 0.410 706 P HA -0.054 nan 4.420 nan 0.000 0.266 706 P C -0.202 176.840 177.300 -0.431 0.000 1.215 706 P CA 0.188 63.200 63.100 -0.146 0.000 0.763 706 P CB 0.416 32.117 31.700 0.001 0.000 0.806 707 N N 2.711 121.013 118.700 -0.663 0.000 2.732 707 N HA -0.222 4.518 4.740 0.001 0.000 0.250 707 N C 0.984 175.860 175.510 -1.056 0.000 1.097 707 N CA 1.755 54.334 53.050 -0.785 0.000 0.812 707 N CB -1.879 36.207 38.487 -0.670 0.000 1.148 707 N HN 0.862 nan 8.380 nan 0.000 0.572 708 G N -0.931 107.154 108.800 -1.192 0.000 2.160 708 G HA2 -0.370 3.590 3.960 0.001 0.000 0.251 708 G HA3 -0.370 3.590 3.960 0.001 0.000 0.251 708 G C -0.018 174.702 174.900 -0.300 0.000 1.008 708 G CA 0.460 45.198 45.100 -0.603 0.000 0.724 708 G HN 0.596 nan 8.290 nan 0.000 0.514 709 Y N 0.103 120.286 120.300 -0.195 0.000 2.397 709 Y HA 0.332 4.882 4.550 0.001 0.000 0.335 709 Y C 2.156 177.990 175.900 -0.110 0.000 1.213 709 Y CA 0.431 58.463 58.100 -0.112 0.000 1.391 709 Y CB 1.114 39.527 38.460 -0.078 0.000 1.293 709 Y HN 0.243 nan 8.280 nan 0.000 0.557 710 T N -2.813 111.799 114.554 0.096 0.000 2.990 710 T HA 0.066 4.417 4.350 0.001 0.000 0.250 710 T C 1.033 175.684 174.700 -0.082 0.000 1.041 710 T CA 0.213 62.297 62.100 -0.028 0.000 1.010 710 T CB 0.057 68.886 68.868 -0.065 0.000 1.003 710 T HN 0.540 nan 8.240 nan 0.000 0.499 711 E N 2.733 122.895 120.200 -0.064 0.000 2.070 711 E HA -0.033 4.318 4.350 0.001 0.000 0.197 711 E C -0.702 175.838 176.600 -0.100 0.000 1.004 711 E CA 1.732 58.061 56.400 -0.117 0.000 0.805 711 E CB -1.472 28.074 29.700 -0.257 0.000 0.744 711 E HN 0.440 nan 8.360 nan 0.000 0.451 712 P HA -0.184 nan 4.420 nan 0.000 0.214 712 P C 1.173 178.485 177.300 0.019 0.000 1.163 712 P CA 1.299 64.388 63.100 -0.017 0.000 0.889 712 P CB 0.005 31.704 31.700 -0.002 0.000 0.790 713 I N -1.861 118.701 120.570 -0.014 0.000 2.202 713 I HA -0.195 3.975 4.170 0.001 0.000 0.242 713 I C 2.401 178.495 176.117 -0.038 0.000 1.091 713 I CA 1.194 62.483 61.300 -0.019 0.000 1.368 713 I CB -0.650 37.325 38.000 -0.042 0.000 1.058 713 I HN -0.134 nan 8.210 nan 0.000 0.410 714 L N -0.335 120.800 121.223 -0.146 0.000 2.017 714 L HA -0.247 4.094 4.340 0.001 0.000 0.208 714 L C 2.705 179.549 176.870 -0.043 0.000 1.073 714 L CA 1.472 56.099 54.840 -0.356 0.000 0.745 714 L CB -0.941 40.478 42.059 -1.066 0.000 0.894 714 L HN 0.345 nan 8.230 nan 0.000 0.432 715 H N -0.317 118.735 119.070 -0.030 0.000 2.290 715 H HA -0.231 4.325 4.556 0.001 0.000 0.298 715 H C 2.456 177.866 175.328 0.136 0.000 1.087 715 H CA 1.950 58.096 56.048 0.164 0.000 1.291 715 H CB 0.055 29.897 29.762 0.133 0.000 1.369 715 H HN 0.233 nan 8.280 nan 0.000 0.492 716 R N 0.811 121.435 120.500 0.207 0.000 2.148 716 R HA -0.092 4.248 4.340 0.001 0.000 0.227 716 R C 2.139 178.512 176.300 0.123 0.000 1.103 716 R CA 0.842 57.025 56.100 0.139 0.000 0.983 716 R CB 0.148 30.506 30.300 0.097 0.000 0.874 716 R HN 0.144 nan 8.270 nan 0.000 0.451 717 R N 0.216 120.790 120.500 0.123 0.000 2.100 717 R HA -0.021 4.320 4.340 0.001 0.000 0.220 717 R C 2.212 178.624 176.300 0.187 0.000 1.091 717 R CA 0.921 57.098 56.100 0.128 0.000 0.986 717 R CB -0.469 29.883 30.300 0.085 0.000 0.888 717 R HN 0.118 nan 8.270 nan 0.000 0.444 718 R N 1.523 122.157 120.500 0.224 0.000 2.120 718 R HA -0.041 4.299 4.340 0.001 0.000 0.234 718 R C 1.930 178.354 176.300 0.207 0.000 1.123 718 R CA 1.536 57.786 56.100 0.251 0.000 0.975 718 R CB -0.166 30.340 30.300 0.343 0.000 0.866 718 R HN 0.102 nan 8.270 nan 0.000 0.446 719 R N -0.276 120.318 120.500 0.156 0.000 2.193 719 R HA 0.001 4.342 4.340 0.001 0.000 0.213 719 R C 2.070 178.433 176.300 0.106 0.000 1.055 719 R CA 1.114 57.282 56.100 0.113 0.000 0.995 719 R CB -0.210 30.146 30.300 0.093 0.000 0.893 719 R HN 0.406 nan 8.270 nan 0.000 0.459 720 E N 0.670 120.946 120.200 0.127 0.000 2.072 720 E HA -0.190 4.161 4.350 0.001 0.000 0.191 720 E C 1.502 178.169 176.600 0.111 0.000 0.985 720 E CA 0.907 57.370 56.400 0.104 0.000 0.801 720 E CB -0.028 29.739 29.700 0.111 0.000 0.750 720 E HN 0.239 nan 8.360 nan 0.000 0.452 721 F N 1.605 121.576 119.950 0.034 0.000 2.171 721 F HA -0.182 4.346 4.527 0.001 0.000 0.300 721 F C 2.471 178.276 175.800 0.008 0.000 1.090 721 F CA 2.531 60.544 58.000 0.022 0.000 1.293 721 F CB -0.432 38.586 39.000 0.029 0.000 1.013 721 F HN 0.001 nan 8.300 nan 0.000 0.486 722 K N 0.545 121.032 120.400 0.145 0.000 2.009 722 K HA -0.022 4.298 4.320 0.001 0.000 0.210 722 K C 2.236 178.809 176.600 -0.045 0.000 1.049 722 K CA 1.678 57.992 56.287 0.044 0.000 0.929 722 K CB -1.838 30.705 32.500 0.071 0.000 0.714 722 K HN 0.472 nan 8.250 nan 0.000 0.440 723 A N 1.384 124.188 122.820 -0.026 0.000 1.968 723 A HA -0.031 4.290 4.320 0.001 0.000 0.217 723 A C 2.308 179.850 177.584 -0.071 0.000 1.169 723 A CA 1.832 53.849 52.037 -0.034 0.000 0.638 723 A CB -0.307 18.689 19.000 -0.007 0.000 0.812 723 A HN 0.701 nan 8.150 nan 0.000 0.446 724 R N 0.097 120.531 120.500 -0.111 0.000 2.189 724 R HA 0.192 4.533 4.340 0.001 0.000 0.218 724 R C 1.250 177.429 176.300 -0.201 0.000 1.074 724 R CA 1.388 57.399 56.100 -0.148 0.000 0.991 724 R CB -0.590 29.613 30.300 -0.162 0.000 0.883 724 R HN 0.214 nan 8.270 nan 0.000 0.457 725 A N 0.352 123.022 122.820 -0.250 0.000 2.543 725 A HA 0.594 4.914 4.320 0.001 0.000 0.258 725 A C 0.260 177.772 177.584 -0.121 0.000 1.391 725 A CA 0.185 52.087 52.037 -0.225 0.000 1.066 725 A CB -0.733 18.100 19.000 -0.279 0.000 0.972 725 A HN 0.578 nan 8.150 nan 0.000 0.560 726 A N 0.000 122.762 122.820 -0.096 0.000 2.254 726 A HA 0.000 4.321 4.320 0.001 0.000 0.244 726 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 726 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 726 A HN 0.000 nan 8.150 nan 0.000 0.486