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 1n8i_1_A DATA FIRST_RESID 2 DATA SEQUENCE TDRVSVGNLR IARVLYDFVN NEALPGTDID PDSFWAGVDK VVADLTPQNQ DATA SEQUENCE ALLNARDELQ AQIDKWHRRX XXXXXDMDAY RQFLTEIGYL LPEPDDFTIT DATA SEQUENCE TSGVDAEITT TAGPQLVVPV LNARFALNAA NARWGSLYDA LYGTDVIPET DATA SEQUENCE DGAEKGPTYN KVRGDKVIAY ARKFLDDSVP LSSGSFGDAT GFTVQDGQLV DATA SEQUENCE VALPDKSTGL ANPGQFAGYT GAAESPTSVL LINHGLHIEI LIDPESQVGT DATA SEQUENCE TDRAGVKDVI LESAITTIMD FEDSVAAVDA ADKVLGYRNW LGLNKGDLAA DATA SEQUENCE XXXXXXXXXX RVLNRDRNYT APGGGQFTLP GRSLMFVRNV GHLMTNDAIV DATA SEQUENCE DTDGSEVFEG IMDALFTGLI AIHGLKASDX XXXXINSRTG 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 QNXXXXAYRP MAPNFDDSIA FLAAQELILS DATA SEQUENCE GAQQPNGYTE PILHRRRREF KARAAE 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 -0.021 0.000 1.109 2 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 3 D N -0.029 120.361 120.400 -0.016 0.000 3.139 3 D HA 0.374 5.013 4.640 -0.000 0.000 0.268 3 D C 0.095 176.377 176.300 -0.029 0.000 1.322 3 D CA -0.340 53.649 54.000 -0.018 0.000 0.940 3 D CB -0.090 40.709 40.800 -0.003 0.000 1.050 3 D HN 0.441 nan 8.370 nan 0.000 0.503 4 R N -0.205 120.262 120.500 -0.055 0.000 2.892 4 R HA 0.696 5.036 4.340 -0.000 0.000 0.265 4 R C -1.030 175.170 176.300 -0.165 0.000 1.025 4 R CA -1.161 54.889 56.100 -0.085 0.000 0.982 4 R CB 2.194 32.459 30.300 -0.058 0.000 1.185 4 R HN -0.052 nan 8.270 nan 0.000 0.484 5 V N 1.404 121.159 119.914 -0.265 0.000 2.459 5 V HA 0.267 4.387 4.120 -0.000 0.000 0.295 5 V C -0.200 175.688 176.094 -0.343 0.000 1.029 5 V CA -0.837 61.195 62.300 -0.448 0.000 0.874 5 V CB 1.677 32.900 31.823 -0.999 0.000 0.985 5 V HN 0.915 nan 8.190 nan 0.000 0.438 6 S N 3.843 119.384 115.700 -0.265 0.000 2.452 6 S HA 0.675 5.145 4.470 -0.000 0.000 0.284 6 S C -0.605 173.901 174.600 -0.156 0.000 1.171 6 S CA -0.603 57.498 58.200 -0.165 0.000 1.064 6 S CB 1.187 64.324 63.200 -0.105 0.000 0.967 6 S HN 0.479 nan 8.310 nan 0.000 0.484 7 V N 3.743 123.599 119.914 -0.097 0.000 2.398 7 V HA 0.676 4.796 4.120 -0.000 0.000 0.282 7 V C 1.086 177.195 176.094 0.024 0.000 1.014 7 V CA 0.198 62.484 62.300 -0.023 0.000 0.838 7 V CB 0.180 32.019 31.823 0.027 0.000 1.018 7 V HN 1.385 nan 8.190 nan 0.000 0.432 8 G N 4.521 113.333 108.800 0.020 0.000 2.591 8 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.298 8 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.298 8 G C 0.901 175.811 174.900 0.016 0.000 1.195 8 G CA 0.950 46.065 45.100 0.025 0.000 0.989 8 G HN 0.733 nan 8.290 nan 0.000 0.551 9 N N 0.277 118.992 118.700 0.025 0.000 2.398 9 N HA 0.217 4.957 4.740 -0.000 0.000 0.188 9 N C 0.539 176.063 175.510 0.025 0.000 1.122 9 N CA -0.160 52.903 53.050 0.021 0.000 0.866 9 N CB -0.134 38.369 38.487 0.026 0.000 0.970 9 N HN 0.463 nan 8.380 nan 0.000 0.462 10 L N 0.927 122.169 121.223 0.031 0.000 2.334 10 L HA 0.515 4.855 4.340 -0.000 0.000 0.272 10 L C -0.069 176.800 176.870 -0.000 0.000 1.020 10 L CA -0.944 53.919 54.840 0.039 0.000 0.812 10 L CB 1.640 43.752 42.059 0.089 0.000 1.264 10 L HN -0.033 nan 8.230 nan 0.000 0.439 11 R N 2.797 123.299 120.500 0.003 0.000 2.415 11 R HA 0.428 4.768 4.340 -0.000 0.000 0.292 11 R C -1.134 175.156 176.300 -0.016 0.000 1.295 11 R CA -0.715 55.363 56.100 -0.036 0.000 1.137 11 R CB 0.914 31.199 30.300 -0.025 0.000 1.135 11 R HN 0.409 nan 8.270 nan 0.000 0.560 12 I N 1.871 122.404 120.570 -0.061 0.000 2.416 12 I HA 0.182 4.352 4.170 -0.000 0.000 0.288 12 I C 1.018 177.127 176.117 -0.013 0.000 1.051 12 I CA -0.211 61.086 61.300 -0.005 0.000 1.375 12 I CB 1.089 39.049 38.000 -0.066 0.000 1.407 12 I HN 0.467 nan 8.210 nan 0.000 0.516 13 A N 5.525 128.381 122.820 0.060 0.000 2.567 13 A HA 0.041 4.361 4.320 -0.000 0.000 0.240 13 A C 1.616 179.245 177.584 0.074 0.000 1.053 13 A CA -0.131 51.940 52.037 0.056 0.000 0.755 13 A CB -0.026 19.021 19.000 0.079 0.000 0.978 13 A HN 0.810 nan 8.150 nan 0.000 0.507 14 R N 2.658 123.187 120.500 0.048 0.000 2.103 14 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 14 R C 1.824 178.219 176.300 0.158 0.000 1.142 14 R CA 2.246 58.400 56.100 0.091 0.000 0.960 14 R CB -0.953 29.378 30.300 0.052 0.000 0.858 14 R HN 0.736 nan 8.270 nan 0.000 0.439 15 V N 0.141 120.128 119.914 0.120 0.000 2.392 15 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 15 V C 1.982 178.189 176.094 0.189 0.000 1.059 15 V CA 2.034 64.412 62.300 0.131 0.000 1.051 15 V CB -0.373 31.499 31.823 0.082 0.000 0.658 15 V HN 0.441 nan 8.190 nan 0.000 0.455 16 L N -0.608 120.729 121.223 0.189 0.000 2.044 16 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 16 L C 2.246 179.328 176.870 0.353 0.000 1.075 16 L CA 2.503 57.483 54.840 0.233 0.000 0.747 16 L CB -1.160 41.010 42.059 0.184 0.000 0.903 16 L HN 0.518 nan 8.230 nan 0.000 0.435 17 Y N 0.730 121.122 120.300 0.154 0.000 2.097 17 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 17 Y C 2.272 178.292 175.900 0.199 0.000 1.152 17 Y CA 2.261 60.415 58.100 0.089 0.000 1.136 17 Y CB -0.423 37.935 38.460 -0.169 0.000 0.975 17 Y HN 0.334 nan 8.280 nan 0.000 0.498 18 D N -0.507 119.996 120.400 0.171 0.000 2.117 18 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 18 D C 2.059 178.399 176.300 0.067 0.000 0.987 18 D CA 1.477 55.520 54.000 0.073 0.000 0.829 18 D CB -0.889 39.986 40.800 0.126 0.000 0.961 18 D HN 0.422 nan 8.370 nan 0.000 0.460 19 F N 1.717 121.691 119.950 0.041 0.000 2.065 19 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 19 F C 2.181 177.980 175.800 -0.001 0.000 1.112 19 F CA 1.245 59.261 58.000 0.027 0.000 1.212 19 F CB -0.517 38.515 39.000 0.053 0.000 0.975 19 F HN -0.201 nan 8.300 nan 0.000 0.476 20 V N 1.304 121.175 119.914 -0.072 0.000 2.255 20 V HA -0.365 3.755 4.120 -0.000 0.000 0.247 20 V C 2.265 178.198 176.094 -0.268 0.000 1.051 20 V CA 2.337 64.511 62.300 -0.211 0.000 1.018 20 V CB -0.897 31.017 31.823 0.150 0.000 0.641 20 V HN 0.411 nan 8.190 nan 0.000 0.445 21 N N 0.754 119.369 118.700 -0.141 0.000 2.142 21 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 21 N C 1.550 176.958 175.510 -0.170 0.000 1.023 21 N CA 1.410 54.371 53.050 -0.149 0.000 0.852 21 N CB -0.503 37.875 38.487 -0.183 0.000 0.998 21 N HN 0.512 nan 8.380 nan 0.000 0.424 22 N N 0.593 119.184 118.700 -0.182 0.000 2.415 22 N HA 0.001 4.741 4.740 -0.000 0.000 0.176 22 N C 1.042 176.420 175.510 -0.221 0.000 1.042 22 N CA 0.608 53.564 53.050 -0.156 0.000 0.902 22 N CB 0.315 38.745 38.487 -0.094 0.000 0.986 22 N HN 0.498 nan 8.380 nan 0.000 0.447 23 E N 0.012 119.978 120.200 -0.390 0.000 2.357 23 E HA 0.296 4.646 4.350 -0.000 0.000 0.202 23 E C 1.583 177.884 176.600 -0.499 0.000 0.855 23 E CA 0.220 56.343 56.400 -0.461 0.000 1.048 23 E CB 0.128 29.482 29.700 -0.576 0.000 1.037 23 E HN 0.148 nan 8.360 nan 0.000 0.499 24 A N 1.321 123.748 122.820 -0.655 0.000 1.898 24 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 24 A C 2.138 179.628 177.584 -0.155 0.000 1.183 24 A CA 0.783 52.597 52.037 -0.372 0.000 0.622 24 A CB -0.472 18.280 19.000 -0.414 0.000 0.824 24 A HN 0.070 nan 8.150 nan 0.000 0.444 25 L N -0.508 120.548 121.223 -0.279 0.000 2.072 25 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 25 L C -1.567 175.228 176.870 -0.126 0.000 1.079 25 L CA 0.087 54.780 54.840 -0.245 0.000 0.752 25 L CB -1.296 40.593 42.059 -0.284 0.000 0.906 25 L HN 0.144 nan 8.230 nan 0.000 0.436 26 P HA 0.017 nan 4.420 nan 0.000 0.258 26 P C 0.532 177.846 177.300 0.024 0.000 1.187 26 P CA 1.498 64.564 63.100 -0.056 0.000 0.767 26 P CB 0.329 31.982 31.700 -0.078 0.000 0.770 27 G N 2.554 111.349 108.800 -0.009 0.000 2.184 27 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.206 27 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.206 27 G C 0.737 175.575 174.900 -0.103 0.000 0.995 27 G CA 0.331 45.433 45.100 0.003 0.000 0.651 27 G HN 0.571 nan 8.290 nan 0.000 0.511 28 T N -2.099 112.359 114.554 -0.160 0.000 3.054 28 T HA 0.370 4.720 4.350 -0.000 0.000 0.255 28 T C 1.049 175.659 174.700 -0.151 0.000 1.035 28 T CA 1.095 63.056 62.100 -0.231 0.000 0.941 28 T CB 0.181 68.864 68.868 -0.309 0.000 1.026 28 T HN 0.434 nan 8.240 nan 0.000 0.533 29 D N 0.498 120.834 120.400 -0.107 0.000 2.946 29 D HA -0.141 4.499 4.640 -0.000 0.000 0.202 29 D C -0.118 176.141 176.300 -0.069 0.000 1.068 29 D CA 0.769 54.723 54.000 -0.076 0.000 1.011 29 D CB -1.736 39.021 40.800 -0.072 0.000 1.105 29 D HN 0.510 nan 8.370 nan 0.000 0.425 30 I N 1.800 122.315 120.570 -0.091 0.000 2.322 30 I HA 0.103 4.273 4.170 -0.000 0.000 0.292 30 I C 0.676 176.764 176.117 -0.048 0.000 1.060 30 I CA -0.286 60.972 61.300 -0.070 0.000 1.309 30 I CB 0.666 38.606 38.000 -0.100 0.000 1.415 30 I HN -0.222 nan 8.210 nan 0.000 0.492 31 D N 8.655 129.052 120.400 -0.005 0.000 2.424 31 D HA 0.078 4.718 4.640 -0.000 0.000 0.244 31 D C -1.428 174.914 176.300 0.069 0.000 1.134 31 D CA -1.242 52.773 54.000 0.025 0.000 0.881 31 D CB 1.226 42.049 40.800 0.038 0.000 1.191 31 D HN 0.243 nan 8.370 nan 0.000 0.445 32 P HA -0.155 nan 4.420 nan 0.000 0.216 32 P C 0.710 178.225 177.300 0.359 0.000 1.153 32 P CA 1.299 64.526 63.100 0.211 0.000 0.858 32 P CB 0.081 31.917 31.700 0.227 0.000 0.789 33 D N -1.409 119.153 120.400 0.271 0.000 2.178 33 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 33 D C 1.575 177.995 176.300 0.200 0.000 0.980 33 D CA 1.488 55.644 54.000 0.259 0.000 0.842 33 D CB -0.866 40.034 40.800 0.167 0.000 0.948 33 D HN 0.002 nan 8.370 nan 0.000 0.472 34 S N -1.178 114.606 115.700 0.141 0.000 2.395 34 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 34 S C 1.297 175.933 174.600 0.061 0.000 1.027 34 S CA 0.364 58.614 58.200 0.084 0.000 0.965 34 S CB -0.508 62.725 63.200 0.055 0.000 0.812 34 S HN 0.390 nan 8.310 nan 0.000 0.482 35 F N 1.214 121.117 119.950 -0.078 0.000 2.051 35 F HA -0.082 4.445 4.527 -0.000 0.000 0.296 35 F C 1.747 177.418 175.800 -0.215 0.000 1.122 35 F CA 1.327 59.190 58.000 -0.228 0.000 1.201 35 F CB -0.632 38.120 39.000 -0.413 0.000 0.978 35 F HN 0.222 nan 8.300 nan 0.000 0.472 36 W N 0.378 121.682 121.300 0.006 0.000 2.363 36 W HA -0.099 4.561 4.660 -0.000 0.000 0.296 36 W C 2.626 179.086 176.519 -0.098 0.000 1.212 36 W CA 1.436 58.750 57.345 -0.051 0.000 1.260 36 W CB -0.899 28.686 29.460 0.208 0.000 1.131 36 W HN 0.130 nan 8.180 nan 0.000 0.530 37 A N 0.546 123.455 122.820 0.150 0.000 1.933 37 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 37 A C 2.220 179.787 177.584 -0.029 0.000 1.175 37 A CA 1.918 53.999 52.037 0.073 0.000 0.628 37 A CB -1.467 17.573 19.000 0.067 0.000 0.814 37 A HN 0.325 nan 8.150 nan 0.000 0.444 38 G N -0.514 108.207 108.800 -0.132 0.000 2.402 38 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 38 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 38 G C 1.511 176.258 174.900 -0.255 0.000 1.162 38 G CA 1.189 46.169 45.100 -0.199 0.000 0.777 38 G HN 0.305 nan 8.290 nan 0.000 0.539 39 V N 1.451 121.125 119.914 -0.400 0.000 2.255 39 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 39 V C 2.526 178.566 176.094 -0.090 0.000 1.051 39 V CA 2.425 64.527 62.300 -0.330 0.000 1.018 39 V CB -0.530 31.102 31.823 -0.318 0.000 0.641 39 V HN 0.460 nan 8.190 nan 0.000 0.445 40 D N 0.106 120.505 120.400 -0.002 0.000 2.104 40 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 40 D C 2.107 178.414 176.300 0.012 0.000 0.994 40 D CA 1.765 55.789 54.000 0.040 0.000 0.830 40 D CB -0.163 40.675 40.800 0.065 0.000 0.959 40 D HN 0.279 nan 8.370 nan 0.000 0.452 41 K N -0.077 120.314 120.400 -0.014 0.000 2.026 41 K HA -0.046 4.274 4.320 -0.000 0.000 0.208 41 K C 2.039 178.629 176.600 -0.016 0.000 1.048 41 K CA 1.157 57.436 56.287 -0.013 0.000 0.929 41 K CB -0.655 31.830 32.500 -0.026 0.000 0.713 41 K HN 0.116 nan 8.250 nan 0.000 0.439 42 V N 0.047 119.933 119.914 -0.046 0.000 2.343 42 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 42 V C 2.283 178.382 176.094 0.009 0.000 1.051 42 V CA 1.674 63.950 62.300 -0.040 0.000 1.036 42 V CB -0.295 31.472 31.823 -0.093 0.000 0.654 42 V HN 0.138 nan 8.190 nan 0.000 0.451 43 V N 0.323 120.249 119.914 0.021 0.000 2.343 43 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 43 V C 2.698 178.848 176.094 0.094 0.000 1.051 43 V CA 2.043 64.391 62.300 0.081 0.000 1.036 43 V CB -1.146 30.729 31.823 0.086 0.000 0.654 43 V HN 0.558 nan 8.190 nan 0.000 0.451 44 A N -0.042 122.816 122.820 0.063 0.000 1.877 44 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 44 A C 1.988 179.610 177.584 0.063 0.000 1.186 44 A CA 2.140 54.213 52.037 0.060 0.000 0.620 44 A CB -0.659 18.365 19.000 0.040 0.000 0.822 44 A HN 0.529 nan 8.150 nan 0.000 0.443 45 D N -0.193 120.238 120.400 0.052 0.000 2.117 45 D HA -0.055 4.585 4.640 -0.000 0.000 0.198 45 D C 1.747 178.098 176.300 0.084 0.000 0.982 45 D CA 1.057 55.088 54.000 0.051 0.000 0.828 45 D CB -0.157 40.660 40.800 0.028 0.000 0.967 45 D HN 0.444 nan 8.370 nan 0.000 0.464 46 L N -0.189 121.103 121.223 0.115 0.000 2.554 46 L HA 0.085 4.425 4.340 -0.000 0.000 0.225 46 L C 2.039 179.058 176.870 0.249 0.000 1.104 46 L CA 0.282 55.249 54.840 0.212 0.000 0.866 46 L CB -0.074 42.096 42.059 0.185 0.000 1.047 46 L HN -0.074 nan 8.230 nan 0.000 0.468 47 T N 0.987 115.671 114.554 0.217 0.000 2.720 47 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 47 T C -0.519 174.293 174.700 0.186 0.000 1.037 47 T CA 1.462 63.736 62.100 0.290 0.000 1.144 47 T CB -0.781 68.263 68.868 0.293 0.000 0.864 47 T HN 0.204 nan 8.240 nan 0.000 0.444 48 P HA -0.084 nan 4.420 nan 0.000 0.215 48 P C 1.623 178.896 177.300 -0.046 0.000 1.153 48 P CA 1.083 64.210 63.100 0.045 0.000 0.853 48 P CB -0.011 31.712 31.700 0.038 0.000 0.788 49 Q N -0.528 119.221 119.800 -0.085 0.000 2.079 49 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 49 Q C 2.169 177.802 176.000 -0.611 0.000 0.974 49 Q CA 1.519 57.172 55.803 -0.249 0.000 0.840 49 Q CB -0.491 28.182 28.738 -0.108 0.000 0.898 49 Q HN 0.195 nan 8.270 nan 0.000 0.430 50 N N -0.805 117.459 118.700 -0.726 0.000 2.069 50 N HA -0.273 4.466 4.740 -0.000 0.000 0.191 50 N C 1.923 177.045 175.510 -0.647 0.000 1.031 50 N CA 1.314 53.741 53.050 -1.038 0.000 0.852 50 N CB 0.020 37.949 38.487 -0.930 0.000 1.018 50 N HN 0.127 nan 8.380 nan 0.000 0.423 51 Q N 0.681 120.335 119.800 -0.244 0.000 2.084 51 Q HA -0.004 4.336 4.340 -0.000 0.000 0.202 51 Q C 1.857 177.798 176.000 -0.097 0.000 0.978 51 Q CA 1.833 57.635 55.803 -0.002 0.000 0.844 51 Q CB -0.547 28.282 28.738 0.152 0.000 0.898 51 Q HN 0.457 nan 8.270 nan 0.000 0.426 52 A N 0.286 123.018 122.820 -0.146 0.000 1.908 52 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 52 A C 2.140 179.622 177.584 -0.170 0.000 1.181 52 A CA 1.635 53.592 52.037 -0.134 0.000 0.627 52 A CB -0.898 18.019 19.000 -0.138 0.000 0.818 52 A HN 0.469 nan 8.150 nan 0.000 0.445 53 L N -0.771 120.283 121.223 -0.283 0.000 2.046 53 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 53 L C 2.539 179.302 176.870 -0.178 0.000 1.077 53 L CA 1.072 55.750 54.840 -0.269 0.000 0.747 53 L CB -0.515 41.278 42.059 -0.443 0.000 0.896 53 L HN 0.388 nan 8.230 nan 0.000 0.432 54 L N -0.448 120.675 121.223 -0.166 0.000 2.093 54 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 54 L C 2.286 179.126 176.870 -0.049 0.000 1.085 54 L CA 0.820 55.612 54.840 -0.080 0.000 0.755 54 L CB -0.631 41.417 42.059 -0.018 0.000 0.904 54 L HN 0.363 nan 8.230 nan 0.000 0.435 55 N N 0.530 119.202 118.700 -0.047 0.000 2.188 55 N HA -0.127 4.612 4.740 -0.000 0.000 0.184 55 N C 1.909 177.399 175.510 -0.032 0.000 1.018 55 N CA 1.437 54.471 53.050 -0.026 0.000 0.858 55 N CB -0.244 38.230 38.487 -0.022 0.000 0.989 55 N HN 0.299 nan 8.380 nan 0.000 0.426 56 A N 1.738 124.525 122.820 -0.055 0.000 1.933 56 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 56 A C 2.259 179.819 177.584 -0.041 0.000 1.175 56 A CA 1.040 53.048 52.037 -0.049 0.000 0.628 56 A CB -0.355 18.604 19.000 -0.068 0.000 0.814 56 A HN 0.232 nan 8.150 nan 0.000 0.444 57 R N -0.178 120.283 120.500 -0.066 0.000 2.073 57 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 57 R C 1.665 177.951 176.300 -0.024 0.000 1.134 57 R CA 1.533 57.583 56.100 -0.083 0.000 0.952 57 R CB -0.527 29.664 30.300 -0.181 0.000 0.850 57 R HN 0.459 nan 8.270 nan 0.000 0.433 58 D N 0.435 120.828 120.400 -0.012 0.000 2.123 58 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 58 D C 1.735 178.055 176.300 0.034 0.000 0.992 58 D CA 1.120 55.132 54.000 0.020 0.000 0.833 58 D CB -0.210 40.602 40.800 0.021 0.000 0.954 58 D HN 0.341 nan 8.370 nan 0.000 0.455 59 E N 0.207 120.420 120.200 0.022 0.000 2.051 59 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 59 E C 2.311 178.937 176.600 0.043 0.000 0.991 59 E CA 0.574 56.991 56.400 0.029 0.000 0.799 59 E CB -0.063 29.644 29.700 0.012 0.000 0.748 59 E HN 0.200 nan 8.360 nan 0.000 0.449 60 L N 0.398 121.647 121.223 0.043 0.000 2.046 60 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 60 L C 2.773 179.699 176.870 0.095 0.000 1.077 60 L CA 1.179 56.059 54.840 0.066 0.000 0.747 60 L CB -0.328 41.802 42.059 0.118 0.000 0.896 60 L HN 0.201 nan 8.230 nan 0.000 0.432 61 Q N 0.116 119.977 119.800 0.103 0.000 2.167 61 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 61 Q C 2.121 178.188 176.000 0.112 0.000 0.970 61 Q CA 1.770 57.644 55.803 0.118 0.000 0.855 61 Q CB -0.159 28.654 28.738 0.125 0.000 0.911 61 Q HN 0.446 nan 8.270 nan 0.000 0.438 62 A N 0.034 122.912 122.820 0.097 0.000 1.898 62 A HA -0.220 4.099 4.320 -0.000 0.000 0.216 62 A C 1.983 179.644 177.584 0.129 0.000 1.181 62 A CA 1.541 53.636 52.037 0.096 0.000 0.620 62 A CB -0.508 18.536 19.000 0.074 0.000 0.819 62 A HN 0.538 nan 8.150 nan 0.000 0.442 63 Q N -0.541 119.351 119.800 0.153 0.000 2.124 63 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 63 Q C 2.010 178.236 176.000 0.377 0.000 0.977 63 Q CA 1.446 57.401 55.803 0.255 0.000 0.850 63 Q CB -0.304 28.577 28.738 0.239 0.000 0.901 63 Q HN 0.733 nan 8.270 nan 0.000 0.429 64 I N 0.924 121.669 120.570 0.292 0.000 2.286 64 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 64 I C 1.521 177.802 176.117 0.273 0.000 1.104 64 I CA 0.875 62.355 61.300 0.299 0.000 1.397 64 I CB -0.211 37.887 38.000 0.165 0.000 1.072 64 I HN 0.119 nan 8.210 nan 0.000 0.417 65 D N 1.266 121.798 120.400 0.220 0.000 2.123 65 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 65 D C 2.175 178.577 176.300 0.170 0.000 0.992 65 D CA 1.314 55.430 54.000 0.195 0.000 0.833 65 D CB -0.146 40.718 40.800 0.107 0.000 0.954 65 D HN 0.296 nan 8.370 nan 0.000 0.455 66 K N -0.510 119.972 120.400 0.136 0.000 2.057 66 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 66 K C 2.083 178.699 176.600 0.026 0.000 1.050 66 K CA 0.780 57.113 56.287 0.077 0.000 0.935 66 K CB -0.260 32.287 32.500 0.077 0.000 0.715 66 K HN 0.184 nan 8.250 nan 0.000 0.439 67 W N 1.975 123.152 121.300 -0.205 0.000 2.321 67 W HA -0.253 4.407 4.660 -0.000 0.000 0.306 67 W C 2.041 178.370 176.519 -0.317 0.000 1.217 67 W CA 1.735 58.806 57.345 -0.457 0.000 1.257 67 W CB -0.133 28.786 29.460 -0.902 0.000 1.145 67 W HN 0.211 nan 8.180 nan 0.000 0.509 68 H N -0.336 118.814 119.070 0.134 0.000 2.395 68 H HA 0.015 4.571 4.556 -0.000 0.000 0.299 68 H C 2.209 177.470 175.328 -0.112 0.000 1.070 68 H CA 1.781 57.832 56.048 0.004 0.000 1.356 68 H CB -0.329 29.512 29.762 0.133 0.000 1.401 68 H HN 0.268 nan 8.280 nan 0.000 0.524 69 R N 0.658 121.185 120.500 0.046 0.000 2.115 69 R HA 0.023 4.363 4.340 -0.000 0.000 0.226 69 R C 1.159 177.404 176.300 -0.092 0.000 1.100 69 R CA 0.301 56.395 56.100 -0.010 0.000 0.980 69 R CB 0.200 30.505 30.300 0.008 0.000 0.875 69 R HN 0.186 nan 8.270 nan 0.000 0.445 78 M N 2.925 122.612 119.600 0.146 0.000 2.149 78 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 78 M C 1.073 177.470 176.300 0.163 0.000 1.064 78 M CA 1.861 57.261 55.300 0.167 0.000 1.102 78 M CB -0.211 32.458 32.600 0.115 0.000 1.369 78 M HN 0.340 nan 8.290 nan 0.000 0.408 79 D N -0.128 120.346 120.400 0.124 0.000 2.117 79 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 79 D C 1.922 178.293 176.300 0.118 0.000 0.987 79 D CA 1.750 55.809 54.000 0.098 0.000 0.829 79 D CB -0.286 40.560 40.800 0.077 0.000 0.961 79 D HN 0.504 nan 8.370 nan 0.000 0.460 80 A N 0.323 123.248 122.820 0.175 0.000 1.898 80 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 80 A C 2.175 179.912 177.584 0.255 0.000 1.181 80 A CA 1.083 53.260 52.037 0.234 0.000 0.620 80 A CB -0.945 18.234 19.000 0.299 0.000 0.819 80 A HN 0.279 nan 8.150 nan 0.000 0.442 81 Y N 0.441 120.784 120.300 0.072 0.000 2.145 81 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 81 Y C 2.517 178.291 175.900 -0.209 0.000 1.145 81 Y CA 2.134 60.059 58.100 -0.292 0.000 1.148 81 Y CB -0.463 37.836 38.460 -0.268 0.000 0.981 81 Y HN 0.300 nan 8.280 nan 0.000 0.507 82 R N -0.218 120.209 120.500 -0.122 0.000 2.081 82 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 82 R C 2.383 178.581 176.300 -0.170 0.000 1.131 82 R CA 1.674 57.657 56.100 -0.196 0.000 0.960 82 R CB -0.280 29.997 30.300 -0.038 0.000 0.856 82 R HN 0.352 nan 8.270 nan 0.000 0.436 83 Q N 0.034 119.798 119.800 -0.060 0.000 2.084 83 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 83 Q C 1.814 177.787 176.000 -0.046 0.000 0.978 83 Q CA 1.610 57.400 55.803 -0.022 0.000 0.844 83 Q CB -0.411 28.357 28.738 0.050 0.000 0.898 83 Q HN 0.341 nan 8.270 nan 0.000 0.426 84 F N 1.002 120.811 119.950 -0.236 0.000 2.069 84 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 84 F C 2.021 177.596 175.800 -0.375 0.000 1.113 84 F CA 1.336 59.149 58.000 -0.311 0.000 1.214 84 F CB -0.614 38.042 39.000 -0.573 0.000 0.978 84 F HN 0.041 nan 8.300 nan 0.000 0.474 85 L N -0.358 120.407 121.223 -0.764 0.000 2.127 85 L HA -0.257 4.083 4.340 -0.000 0.000 0.211 85 L C 2.269 178.893 176.870 -0.410 0.000 1.089 85 L CA 1.790 56.166 54.840 -0.773 0.000 0.757 85 L CB -1.262 40.364 42.059 -0.722 0.000 0.899 85 L HN 0.232 nan 8.230 nan 0.000 0.434 86 T N -1.265 113.118 114.554 -0.285 0.000 2.770 86 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 86 T C 1.803 176.410 174.700 -0.156 0.000 1.039 86 T CA 0.855 62.858 62.100 -0.161 0.000 1.142 86 T CB -0.058 68.750 68.868 -0.101 0.000 0.868 86 T HN 0.281 nan 8.240 nan 0.000 0.435 87 E N 1.424 121.519 120.200 -0.174 0.000 2.085 87 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 87 E C 2.166 178.670 176.600 -0.161 0.000 0.994 87 E CA 1.008 57.333 56.400 -0.124 0.000 0.801 87 E CB -0.334 29.330 29.700 -0.061 0.000 0.743 87 E HN 0.684 nan 8.360 nan 0.000 0.453 88 I N -2.951 117.437 120.570 -0.303 0.000 3.564 88 I HA 0.229 4.399 4.170 -0.000 0.000 0.294 88 I C 1.198 177.221 176.117 -0.157 0.000 1.289 88 I CA 0.761 61.903 61.300 -0.262 0.000 1.325 88 I CB -0.270 37.454 38.000 -0.459 0.000 1.039 88 I HN 0.073 nan 8.210 nan 0.000 0.474 89 G N 1.190 109.912 108.800 -0.129 0.000 2.148 89 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.254 89 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.254 89 G C 0.489 175.360 174.900 -0.048 0.000 0.981 89 G CA 0.655 45.709 45.100 -0.077 0.000 0.670 89 G HN 0.636 nan 8.290 nan 0.000 0.528 90 Y N -0.305 119.868 120.300 -0.211 0.000 2.153 90 Y HA 0.411 4.961 4.550 -0.000 0.000 0.289 90 Y C 1.536 177.350 175.900 -0.144 0.000 1.127 90 Y CA 1.510 59.499 58.100 -0.185 0.000 1.131 90 Y CB 0.102 38.396 38.460 -0.276 0.000 0.995 90 Y HN 0.338 nan 8.280 nan 0.000 0.505 91 L N 2.336 123.604 121.223 0.075 0.000 2.259 91 L HA 0.364 4.704 4.340 -0.000 0.000 0.288 91 L C -1.160 175.692 176.870 -0.031 0.000 1.051 91 L CA -0.230 54.618 54.840 0.013 0.000 0.824 91 L CB 0.293 42.353 42.059 0.002 0.000 1.206 91 L HN 0.090 nan 8.230 nan 0.000 0.429 92 L N 5.428 126.631 121.223 -0.033 0.000 2.387 92 L HA 0.594 4.934 4.340 -0.000 0.000 0.266 92 L C -1.760 175.105 176.870 -0.008 0.000 1.059 92 L CA -2.059 52.766 54.840 -0.026 0.000 0.801 92 L CB 0.406 42.448 42.059 -0.028 0.000 1.223 92 L HN 0.463 nan 8.230 nan 0.000 0.456 93 P HA 0.008 nan 4.420 nan 0.000 0.268 93 P C -0.774 176.540 177.300 0.024 0.000 1.208 93 P CA -0.216 62.889 63.100 0.008 0.000 0.777 93 P CB 0.430 32.133 31.700 0.005 0.000 0.875 94 E N 3.405 123.627 120.200 0.037 0.000 2.290 94 E HA 0.114 4.464 4.350 -0.000 0.000 0.277 94 E C -1.743 174.895 176.600 0.063 0.000 1.035 94 E CA -1.753 54.682 56.400 0.059 0.000 0.873 94 E CB 0.229 29.966 29.700 0.063 0.000 1.029 94 E HN 0.315 nan 8.360 nan 0.000 0.419 95 P HA 0.086 nan 4.420 nan 0.000 0.274 95 P C -0.611 176.761 177.300 0.120 0.000 1.256 95 P CA -0.373 62.777 63.100 0.083 0.000 0.795 95 P CB 0.664 32.410 31.700 0.077 0.000 1.038 96 D N 0.325 120.792 120.400 0.112 0.000 2.368 96 D HA 0.052 4.692 4.640 -0.000 0.000 0.240 96 D C 0.041 176.475 176.300 0.223 0.000 1.169 96 D CA 0.365 54.441 54.000 0.127 0.000 0.906 96 D CB 0.286 41.142 40.800 0.095 0.000 1.187 96 D HN 0.300 nan 8.370 nan 0.000 0.435 97 D N -0.043 120.450 120.400 0.154 0.000 2.423 97 D HA 0.280 4.920 4.640 -0.000 0.000 0.238 97 D C 0.063 176.500 176.300 0.229 0.000 1.142 97 D CA 0.533 54.605 54.000 0.120 0.000 0.884 97 D CB 0.258 41.080 40.800 0.037 0.000 1.199 97 D HN 0.282 nan 8.370 nan 0.000 0.438 98 F N -2.326 117.643 119.950 0.033 0.000 2.773 98 F HA 0.535 5.062 4.527 -0.000 0.000 0.314 98 F C -1.290 174.543 175.800 0.055 0.000 1.160 98 F CA -0.951 57.072 58.000 0.039 0.000 0.920 98 F CB 1.134 40.158 39.000 0.040 0.000 1.323 98 F HN 0.036 nan 8.300 nan 0.000 0.457 99 T N 3.145 117.795 114.554 0.161 0.000 2.861 99 T HA 0.582 4.932 4.350 -0.000 0.000 0.287 99 T C -0.064 174.803 174.700 0.278 0.000 1.003 99 T CA -0.650 61.494 62.100 0.073 0.000 0.977 99 T CB 1.374 70.277 68.868 0.059 0.000 0.996 99 T HN 0.845 nan 8.240 nan 0.000 0.448 100 I N 1.008 121.723 120.570 0.241 0.000 2.993 100 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 100 I C 0.998 177.189 176.117 0.124 0.000 1.215 100 I CA -0.202 61.245 61.300 0.244 0.000 1.393 100 I CB 0.556 38.633 38.000 0.129 0.000 1.371 100 I HN 0.733 nan 8.210 nan 0.000 0.602 101 T N -0.769 113.841 114.554 0.093 0.000 3.145 101 T HA 0.161 4.511 4.350 -0.000 0.000 0.281 101 T C 0.524 175.241 174.700 0.027 0.000 1.003 101 T CA -0.309 61.824 62.100 0.054 0.000 0.901 101 T CB -0.771 68.129 68.868 0.053 0.000 1.112 101 T HN 0.744 nan 8.240 nan 0.000 0.535 102 T N 3.984 118.547 114.554 0.014 0.000 2.822 102 T HA 0.343 4.693 4.350 -0.000 0.000 0.288 102 T C 0.524 175.229 174.700 0.008 0.000 0.991 102 T CA 0.030 62.133 62.100 0.006 0.000 1.176 102 T CB 0.188 69.048 68.868 -0.013 0.000 0.951 102 T HN 0.676 nan 8.240 nan 0.000 0.526 103 S N 1.777 117.484 115.700 0.012 0.000 2.715 103 S HA 0.772 5.242 4.470 -0.000 0.000 0.307 103 S C 0.929 175.539 174.600 0.017 0.000 1.119 103 S CA -0.376 57.833 58.200 0.014 0.000 0.937 103 S CB 1.673 64.878 63.200 0.009 0.000 1.150 103 S HN 1.525 nan 8.310 nan 0.000 0.521 104 G N -0.435 108.376 108.800 0.019 0.000 2.176 104 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.252 104 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.252 104 G C -0.166 174.769 174.900 0.058 0.000 1.024 104 G CA 0.089 45.200 45.100 0.019 0.000 0.755 104 G HN 1.114 nan 8.290 nan 0.000 0.507 105 V N 0.744 120.710 119.914 0.087 0.000 2.539 105 V HA 0.357 4.477 4.120 -0.000 0.000 0.292 105 V C 0.647 176.811 176.094 0.117 0.000 1.045 105 V CA -1.023 61.374 62.300 0.162 0.000 0.945 105 V CB 1.597 33.497 31.823 0.128 0.000 0.993 105 V HN 0.323 nan 8.190 nan 0.000 0.464 106 D N 2.502 122.988 120.400 0.144 0.000 2.362 106 D HA 0.199 4.839 4.640 -0.000 0.000 0.242 106 D C 1.060 177.374 176.300 0.023 0.000 1.132 106 D CA 0.396 54.439 54.000 0.071 0.000 0.907 106 D CB 1.755 42.596 40.800 0.068 0.000 1.195 106 D HN 0.637 nan 8.370 nan 0.000 0.429 107 A N 2.351 125.187 122.820 0.026 0.000 1.978 107 A HA -0.226 4.093 4.320 -0.000 0.000 0.220 107 A C 1.824 179.413 177.584 0.009 0.000 1.170 107 A CA 1.518 53.567 52.037 0.020 0.000 0.636 107 A CB -0.352 18.664 19.000 0.027 0.000 0.810 107 A HN 0.553 nan 8.150 nan 0.000 0.448 108 E N -0.397 119.804 120.200 0.002 0.000 2.209 108 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 108 E C 1.606 178.210 176.600 0.007 0.000 0.993 108 E CA 1.250 57.648 56.400 -0.004 0.000 0.819 108 E CB -0.197 29.502 29.700 -0.003 0.000 0.745 108 E HN 0.775 nan 8.360 nan 0.000 0.477 109 I N -0.742 119.824 120.570 -0.006 0.000 3.039 109 I HA -0.104 4.066 4.170 -0.000 0.000 0.270 109 I C 2.243 178.390 176.117 0.050 0.000 1.150 109 I CA 1.148 62.473 61.300 0.041 0.000 1.448 109 I CB -0.090 37.895 38.000 -0.025 0.000 1.197 109 I HN 0.150 nan 8.210 nan 0.000 0.450 110 T N -2.744 111.825 114.554 0.026 0.000 2.942 110 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 110 T C 1.528 176.242 174.700 0.024 0.000 1.062 110 T CA 1.591 63.706 62.100 0.024 0.000 1.139 110 T CB -0.195 68.683 68.868 0.018 0.000 0.883 110 T HN 0.162 nan 8.240 nan 0.000 0.468 111 T N 0.839 115.403 114.554 0.018 0.000 3.058 111 T HA 0.195 4.545 4.350 -0.000 0.000 0.247 111 T C 0.576 175.277 174.700 0.002 0.000 0.987 111 T CA 0.101 62.208 62.100 0.011 0.000 1.062 111 T CB 0.067 68.939 68.868 0.007 0.000 1.048 111 T HN 0.350 nan 8.240 nan 0.000 0.468 112 T N 3.274 117.823 114.554 -0.008 0.000 2.814 112 T HA 0.604 4.954 4.350 -0.000 0.000 0.297 112 T C -0.080 174.584 174.700 -0.061 0.000 0.956 112 T CA -0.435 61.643 62.100 -0.037 0.000 1.123 112 T CB 0.854 69.693 68.868 -0.049 0.000 0.902 112 T HN 0.346 nan 8.240 nan 0.000 0.528 113 A N 2.993 125.766 122.820 -0.078 0.000 2.276 113 A HA 0.844 5.164 4.320 -0.000 0.000 0.316 113 A C 0.564 177.872 177.584 -0.461 0.000 1.229 113 A CA -0.321 51.654 52.037 -0.103 0.000 0.851 113 A CB 0.578 19.639 19.000 0.101 0.000 1.165 113 A HN 1.131 nan 8.150 nan 0.000 0.513 114 G N 1.757 110.068 108.800 -0.814 0.000 2.451 114 G HA2 0.570 4.530 3.960 -0.000 0.000 0.292 114 G HA3 0.570 4.530 3.960 -0.000 0.000 0.292 114 G C -3.574 170.809 174.900 -0.862 0.000 1.427 114 G CA -0.893 43.451 45.100 -1.261 0.000 0.792 114 G HN 0.429 nan 8.290 nan 0.000 0.498 115 P HA 0.190 nan 4.420 nan 0.000 0.267 115 P C -0.716 176.568 177.300 -0.027 0.000 1.200 115 P CA 0.278 63.351 63.100 -0.044 0.000 0.772 115 P CB 0.635 32.372 31.700 0.063 0.000 0.855 116 Q N 2.074 121.919 119.800 0.075 0.000 2.320 116 Q HA 0.457 4.797 4.340 -0.000 0.000 0.268 116 Q C -1.558 174.375 176.000 -0.111 0.000 1.023 116 Q CA -0.862 54.926 55.803 -0.024 0.000 0.744 116 Q CB 0.669 29.412 28.738 0.008 0.000 1.246 116 Q HN 0.232 nan 8.270 nan 0.000 0.462 117 L N 4.328 125.470 121.223 -0.134 0.000 2.350 117 L HA 0.565 4.905 4.340 -0.000 0.000 0.275 117 L C -1.280 175.415 176.870 -0.291 0.000 1.099 117 L CA -0.207 54.540 54.840 -0.156 0.000 0.808 117 L CB 1.711 43.727 42.059 -0.071 0.000 1.149 117 L HN 0.483 nan 8.230 nan 0.000 0.442 118 V N 5.140 124.867 119.914 -0.313 0.000 2.604 118 V HA 0.724 4.844 4.120 -0.000 0.000 0.305 118 V C -0.648 175.351 176.094 -0.159 0.000 1.043 118 V CA -0.716 61.367 62.300 -0.361 0.000 0.888 118 V CB 1.793 33.273 31.823 -0.571 0.000 0.995 118 V HN 0.611 nan 8.190 nan 0.000 0.429 119 V N 5.939 125.793 119.914 -0.100 0.000 2.888 119 V HA 0.618 4.738 4.120 -0.000 0.000 0.309 119 V C -2.711 173.383 176.094 -0.001 0.000 1.114 119 V CA -2.360 59.934 62.300 -0.011 0.000 0.940 119 V CB 3.408 35.250 31.823 0.032 0.000 1.021 119 V HN 0.788 nan 8.190 nan 0.000 0.426 120 P HA 0.121 nan 4.420 nan 0.000 0.271 120 P C 0.485 177.736 177.300 -0.081 0.000 1.233 120 P CA 0.378 63.470 63.100 -0.013 0.000 0.764 120 P CB 1.276 33.002 31.700 0.044 0.000 0.825 121 V N 4.599 124.380 119.914 -0.222 0.000 2.970 121 V HA -0.143 3.977 4.120 -0.000 0.000 0.260 121 V C 1.570 177.498 176.094 -0.277 0.000 1.100 121 V CA 1.545 63.671 62.300 -0.290 0.000 1.122 121 V CB -0.742 30.699 31.823 -0.637 0.000 0.721 121 V HN 0.429 nan 8.190 nan 0.000 0.483 122 L N 0.440 121.495 121.223 -0.280 0.000 2.478 122 L HA 0.171 4.511 4.340 -0.000 0.000 0.223 122 L C 1.244 177.993 176.870 -0.202 0.000 1.140 122 L CA 0.892 55.587 54.840 -0.243 0.000 0.842 122 L CB -0.494 41.414 42.059 -0.253 0.000 0.953 122 L HN 0.322 nan 8.230 nan 0.000 0.452 123 N N -0.000 118.583 118.700 -0.194 0.000 2.589 123 N HA 0.187 4.927 4.740 -0.000 0.000 0.232 123 N C 0.974 176.397 175.510 -0.144 0.000 1.015 123 N CA 0.510 53.401 53.050 -0.265 0.000 0.931 123 N CB 1.520 39.708 38.487 -0.500 0.000 1.150 123 N HN 0.094 nan 8.380 nan 0.000 0.512 124 A N 4.883 127.636 122.820 -0.111 0.000 1.908 124 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 124 A C 2.124 179.714 177.584 0.009 0.000 1.181 124 A CA 1.211 53.228 52.037 -0.033 0.000 0.627 124 A CB -0.176 18.806 19.000 -0.031 0.000 0.818 124 A HN 0.752 nan 8.150 nan 0.000 0.445 125 R N -1.188 119.298 120.500 -0.022 0.000 2.082 125 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 125 R C 2.097 178.536 176.300 0.232 0.000 1.136 125 R CA 1.734 57.878 56.100 0.072 0.000 0.935 125 R CB -0.761 29.567 30.300 0.047 0.000 0.842 125 R HN 0.646 nan 8.270 nan 0.000 0.430 126 F N 1.083 121.031 119.950 -0.004 0.000 2.091 126 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 126 F C 2.871 178.674 175.800 0.006 0.000 1.103 126 F CA 0.432 58.431 58.000 -0.002 0.000 1.228 126 F CB -0.401 38.591 39.000 -0.014 0.000 0.984 126 F HN 0.183 nan 8.300 nan 0.000 0.477 127 A N 0.626 123.573 122.820 0.212 0.000 1.908 127 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 127 A C 2.155 179.812 177.584 0.121 0.000 1.181 127 A CA 1.503 53.621 52.037 0.135 0.000 0.627 127 A CB -1.083 17.978 19.000 0.103 0.000 0.818 127 A HN 0.399 nan 8.150 nan 0.000 0.445 128 L N -0.805 120.485 121.223 0.112 0.000 2.027 128 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 128 L C 2.383 179.307 176.870 0.090 0.000 1.074 128 L CA 1.668 56.564 54.840 0.093 0.000 0.745 128 L CB -0.653 41.452 42.059 0.075 0.000 0.898 128 L HN 0.507 nan 8.230 nan 0.000 0.433 129 N N -0.255 118.504 118.700 0.099 0.000 2.166 129 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 129 N C 1.872 177.417 175.510 0.059 0.000 1.019 129 N CA 1.010 54.105 53.050 0.075 0.000 0.856 129 N CB -0.113 38.416 38.487 0.071 0.000 0.993 129 N HN 0.324 nan 8.380 nan 0.000 0.426 130 A N 1.091 123.948 122.820 0.061 0.000 1.929 130 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 130 A C 2.310 179.931 177.584 0.061 0.000 1.176 130 A CA 1.440 53.502 52.037 0.043 0.000 0.628 130 A CB -0.649 18.374 19.000 0.038 0.000 0.816 130 A HN 0.332 nan 8.150 nan 0.000 0.444 131 A N 0.376 123.247 122.820 0.086 0.000 1.933 131 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 131 A C 1.751 179.393 177.584 0.097 0.000 1.175 131 A CA 1.655 53.752 52.037 0.100 0.000 0.628 131 A CB -0.530 18.536 19.000 0.111 0.000 0.814 131 A HN 0.518 nan 8.150 nan 0.000 0.444 132 N N 0.317 119.073 118.700 0.093 0.000 2.515 132 N HA 0.055 4.795 4.740 -0.000 0.000 0.185 132 N C 1.394 176.974 175.510 0.116 0.000 1.109 132 N CA 0.910 54.026 53.050 0.110 0.000 0.903 132 N CB -0.335 38.207 38.487 0.091 0.000 0.969 132 N HN 0.464 nan 8.380 nan 0.000 0.450 133 A N 0.818 123.683 122.820 0.074 0.000 2.248 133 A HA -0.067 4.253 4.320 -0.000 0.000 0.210 133 A C 2.130 179.718 177.584 0.008 0.000 1.174 133 A CA 0.506 52.570 52.037 0.045 0.000 0.750 133 A CB -0.322 18.687 19.000 0.015 0.000 0.780 133 A HN 0.046 nan 8.150 nan 0.000 0.478 134 R N -0.813 119.694 120.500 0.013 0.000 2.127 134 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 134 R C -0.634 175.393 176.300 -0.454 0.000 1.134 134 R CA 1.043 57.037 56.100 -0.176 0.000 0.975 134 R CB -0.262 30.001 30.300 -0.061 0.000 0.865 134 R HN 0.597 nan 8.270 nan 0.000 0.447 135 W N -1.518 119.804 121.300 0.037 0.000 2.739 135 W HA 0.655 5.315 4.660 -0.000 0.000 0.331 135 W C -0.254 176.277 176.519 0.021 0.000 1.049 135 W CA -0.640 56.727 57.345 0.038 0.000 1.234 135 W CB 1.953 31.439 29.460 0.043 0.000 1.404 135 W HN 0.078 nan 8.180 nan 0.000 0.477 136 G N 0.590 109.507 108.800 0.195 0.000 2.706 136 G HA2 0.442 4.402 3.960 -0.000 0.000 0.297 136 G HA3 0.442 4.402 3.960 -0.000 0.000 0.297 136 G C -1.385 173.567 174.900 0.088 0.000 1.403 136 G CA -0.881 44.286 45.100 0.112 0.000 0.954 136 G HN 0.331 nan 8.290 nan 0.000 0.500 137 S N 0.557 116.294 115.700 0.061 0.000 2.488 137 S HA 0.084 4.554 4.470 -0.000 0.000 0.278 137 S C 1.433 176.065 174.600 0.053 0.000 1.259 137 S CA -0.568 57.658 58.200 0.042 0.000 1.061 137 S CB 0.718 63.939 63.200 0.034 0.000 0.910 137 S HN 0.733 nan 8.310 nan 0.000 0.491 138 L N 7.175 128.434 121.223 0.059 0.000 2.156 138 L HA 0.124 4.464 4.340 -0.000 0.000 0.208 138 L C 1.452 178.429 176.870 0.178 0.000 1.095 138 L CA 1.776 56.650 54.840 0.058 0.000 0.770 138 L CB -0.924 41.143 42.059 0.013 0.000 0.914 138 L HN 0.816 nan 8.230 nan 0.000 0.439 139 Y N 0.429 120.722 120.300 -0.012 0.000 2.145 139 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 139 Y C 2.531 178.458 175.900 0.045 0.000 1.145 139 Y CA 1.408 59.522 58.100 0.023 0.000 1.148 139 Y CB -0.919 37.553 38.460 0.020 0.000 0.981 139 Y HN 0.289 nan 8.280 nan 0.000 0.507 140 D N -0.586 119.931 120.400 0.194 0.000 2.117 140 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 140 D C 2.287 178.648 176.300 0.101 0.000 0.987 140 D CA 1.447 55.523 54.000 0.127 0.000 0.829 140 D CB -0.505 40.340 40.800 0.075 0.000 0.961 140 D HN 0.298 nan 8.370 nan 0.000 0.460 141 A N 0.498 123.349 122.820 0.052 0.000 1.972 141 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 141 A C 2.380 179.934 177.584 -0.050 0.000 1.169 141 A CA 0.864 52.898 52.037 -0.005 0.000 0.635 141 A CB -0.564 18.413 19.000 -0.038 0.000 0.810 141 A HN 0.193 nan 8.150 nan 0.000 0.446 142 L N -2.838 118.346 121.223 -0.066 0.000 2.127 142 L HA -0.071 4.269 4.340 -0.000 0.000 0.203 142 L C 2.541 179.355 176.870 -0.094 0.000 1.080 142 L CA 1.330 56.063 54.840 -0.178 0.000 0.768 142 L CB -0.570 41.319 42.059 -0.284 0.000 0.924 142 L HN 0.536 nan 8.230 nan 0.000 0.444 143 Y N 0.811 121.057 120.300 -0.091 0.000 2.200 143 Y HA -0.127 4.423 4.550 -0.000 0.000 0.290 143 Y C 2.269 178.153 175.900 -0.027 0.000 1.137 143 Y CA 1.586 59.660 58.100 -0.044 0.000 1.163 143 Y CB -0.188 38.286 38.460 0.024 0.000 0.988 143 Y HN 0.073 nan 8.280 nan 0.000 0.518 144 G N -1.044 107.861 108.800 0.174 0.000 2.813 144 G HA2 0.037 3.997 3.960 -0.000 0.000 0.209 144 G HA3 0.037 3.997 3.960 -0.000 0.000 0.209 144 G C 0.480 175.383 174.900 0.005 0.000 1.150 144 G CA 0.714 45.878 45.100 0.107 0.000 0.785 144 G HN 0.419 nan 8.290 nan 0.000 0.535 145 T N -2.582 111.946 114.554 -0.042 0.000 2.905 145 T HA 0.388 4.738 4.350 -0.000 0.000 0.283 145 T C 0.671 175.319 174.700 -0.087 0.000 1.031 145 T CA 0.111 62.178 62.100 -0.055 0.000 1.002 145 T CB 1.838 70.671 68.868 -0.059 0.000 1.200 145 T HN -0.032 nan 8.240 nan 0.000 0.560 146 D N -0.119 120.242 120.400 -0.064 0.000 2.336 146 D HA -0.006 4.634 4.640 -0.000 0.000 0.229 146 D C 1.694 177.948 176.300 -0.077 0.000 1.061 146 D CA -0.076 53.886 54.000 -0.064 0.000 0.875 146 D CB -0.659 40.126 40.800 -0.026 0.000 0.904 146 D HN 0.283 nan 8.370 nan 0.000 0.525 147 V N 0.620 120.467 119.914 -0.113 0.000 2.469 147 V HA -0.147 3.972 4.120 -0.000 0.000 0.251 147 V C 1.240 177.248 176.094 -0.144 0.000 1.064 147 V CA 0.864 63.080 62.300 -0.140 0.000 1.066 147 V CB -0.335 31.339 31.823 -0.249 0.000 0.667 147 V HN 0.293 nan 8.190 nan 0.000 0.461 148 I N 2.975 123.442 120.570 -0.172 0.000 2.307 148 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 148 I C -2.213 173.835 176.117 -0.114 0.000 1.054 148 I CA -2.862 58.352 61.300 -0.144 0.000 1.218 148 I CB 0.703 38.585 38.000 -0.196 0.000 1.398 148 I HN 0.169 nan 8.210 nan 0.000 0.475 149 P HA -0.007 nan 4.420 nan 0.000 0.265 149 P C -0.171 177.083 177.300 -0.077 0.000 1.187 149 P CA 0.087 63.154 63.100 -0.056 0.000 0.766 149 P CB 0.786 32.469 31.700 -0.027 0.000 0.820 150 E N 1.283 121.438 120.200 -0.074 0.000 2.392 150 E HA 0.071 4.421 4.350 -0.000 0.000 0.307 150 E C 0.721 177.287 176.600 -0.057 0.000 1.505 150 E CA -0.181 56.169 56.400 -0.083 0.000 1.716 150 E CB -0.255 29.397 29.700 -0.079 0.000 1.450 150 E HN 0.546 nan 8.360 nan 0.000 0.484 151 T N -1.947 112.577 114.554 -0.050 0.000 2.667 151 T HA -0.039 4.311 4.350 -0.000 0.000 0.305 151 T C 0.583 175.261 174.700 -0.036 0.000 1.022 151 T CA -0.823 61.256 62.100 -0.034 0.000 0.995 151 T CB 0.792 69.644 68.868 -0.026 0.000 1.026 151 T HN 0.053 nan 8.240 nan 0.000 0.527 152 D N 0.108 120.493 120.400 -0.026 0.000 2.487 152 D HA 0.205 4.845 4.640 -0.000 0.000 0.243 152 D C 1.546 177.828 176.300 -0.030 0.000 1.154 152 D CA 1.796 55.782 54.000 -0.025 0.000 0.876 152 D CB 0.086 40.876 40.800 -0.017 0.000 1.161 152 D HN 1.006 nan 8.370 nan 0.000 0.478 153 G N 3.003 111.783 108.800 -0.034 0.000 2.253 153 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.251 153 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.251 153 G C 0.694 175.559 174.900 -0.057 0.000 0.998 153 G CA 0.509 45.585 45.100 -0.039 0.000 0.621 153 G HN 0.864 nan 8.290 nan 0.000 0.524 154 A N 0.512 123.291 122.820 -0.068 0.000 2.574 154 A HA 0.574 4.894 4.320 -0.000 0.000 0.283 154 A C 0.898 178.401 177.584 -0.136 0.000 1.270 154 A CA 0.926 52.902 52.037 -0.101 0.000 0.945 154 A CB -0.006 18.939 19.000 -0.092 0.000 1.127 154 A HN 0.690 nan 8.150 nan 0.000 0.522 155 E N 0.629 120.765 120.200 -0.106 0.000 2.345 155 E HA 0.275 4.625 4.350 -0.000 0.000 0.259 155 E C -0.913 175.614 176.600 -0.123 0.000 1.117 155 E CA -0.402 55.932 56.400 -0.110 0.000 0.913 155 E CB 0.724 30.385 29.700 -0.065 0.000 1.057 155 E HN 0.214 nan 8.360 nan 0.000 0.432 156 K N 0.482 120.811 120.400 -0.118 0.000 2.297 156 K HA 0.464 4.784 4.320 -0.000 0.000 0.286 156 K C 0.132 176.733 176.600 0.002 0.000 1.053 156 K CA -0.267 55.979 56.287 -0.068 0.000 0.940 156 K CB 1.332 33.794 32.500 -0.063 0.000 1.019 156 K HN 0.664 nan 8.250 nan 0.000 0.475 157 G N 2.202 111.030 108.800 0.047 0.000 3.108 157 G HA2 0.316 4.276 3.960 -0.000 0.000 0.268 157 G HA3 0.316 4.276 3.960 -0.000 0.000 0.268 157 G C -1.824 173.121 174.900 0.074 0.000 1.361 157 G CA -1.002 44.126 45.100 0.046 0.000 1.047 157 G HN 0.325 nan 8.290 nan 0.000 0.540 158 P HA 0.084 nan 4.420 nan 0.000 0.218 158 P C 0.936 178.285 177.300 0.081 0.000 1.149 158 P CA 1.177 64.314 63.100 0.063 0.000 0.817 158 P CB 0.077 31.805 31.700 0.046 0.000 0.785 159 T N -4.770 109.838 114.554 0.089 0.000 2.949 159 T HA 0.319 4.669 4.350 -0.000 0.000 0.287 159 T C -0.637 174.163 174.700 0.168 0.000 1.034 159 T CA -0.946 61.222 62.100 0.112 0.000 1.018 159 T CB 0.579 69.501 68.868 0.090 0.000 1.135 159 T HN -0.136 nan 8.240 nan 0.000 0.532 160 Y N 2.509 122.832 120.300 0.038 0.000 2.729 160 Y HA 0.195 4.745 4.550 -0.000 0.000 0.331 160 Y C 0.466 176.432 175.900 0.109 0.000 1.208 160 Y CA -0.502 57.623 58.100 0.042 0.000 1.521 160 Y CB 0.014 38.450 38.460 -0.040 0.000 1.233 160 Y HN 0.721 nan 8.280 nan 0.000 0.539 161 N N 5.774 124.292 118.700 -0.302 0.000 2.462 161 N HA 0.044 4.784 4.740 -0.000 0.000 0.242 161 N C 0.816 175.917 175.510 -0.681 0.000 1.010 161 N CA -0.196 52.661 53.050 -0.321 0.000 0.939 161 N CB 1.109 39.527 38.487 -0.115 0.000 1.127 161 N HN 0.743 nan 8.380 nan 0.000 0.509 162 K N 3.297 123.362 120.400 -0.559 0.000 2.074 162 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 162 K C 1.291 177.783 176.600 -0.181 0.000 1.048 162 K CA 1.540 57.605 56.287 -0.369 0.000 0.926 162 K CB -0.446 31.998 32.500 -0.092 0.000 0.713 162 K HN 0.371 nan 8.250 nan 0.000 0.444 163 V N 0.845 120.678 119.914 -0.135 0.000 2.295 163 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 163 V C 2.634 178.683 176.094 -0.074 0.000 1.049 163 V CA 2.271 64.525 62.300 -0.076 0.000 1.024 163 V CB -0.567 31.217 31.823 -0.065 0.000 0.648 163 V HN 0.433 nan 8.190 nan 0.000 0.447 164 R N 0.225 120.657 120.500 -0.113 0.000 2.081 164 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 164 R C 2.360 178.662 176.300 0.004 0.000 1.131 164 R CA 1.786 57.813 56.100 -0.121 0.000 0.960 164 R CB -0.806 29.320 30.300 -0.289 0.000 0.856 164 R HN 0.537 nan 8.270 nan 0.000 0.436 165 G N 0.654 109.507 108.800 0.088 0.000 2.442 165 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 165 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 165 G C 0.906 175.867 174.900 0.102 0.000 1.141 165 G CA 1.095 46.342 45.100 0.244 0.000 0.763 165 G HN 0.358 nan 8.290 nan 0.000 0.554 166 D N 0.584 121.017 120.400 0.056 0.000 2.144 166 D HA -0.046 4.593 4.640 -0.000 0.000 0.199 166 D C 2.485 178.800 176.300 0.024 0.000 0.984 166 D CA 0.750 54.776 54.000 0.043 0.000 0.834 166 D CB -0.092 40.729 40.800 0.034 0.000 0.955 166 D HN 0.310 nan 8.370 nan 0.000 0.465 167 K N 0.464 120.870 120.400 0.010 0.000 2.097 167 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 167 K C 2.225 178.840 176.600 0.025 0.000 1.050 167 K CA 0.458 56.757 56.287 0.019 0.000 0.938 167 K CB -0.138 32.358 32.500 -0.007 0.000 0.718 167 K HN 0.033 nan 8.250 nan 0.000 0.442 168 V N 2.174 122.066 119.914 -0.037 0.000 2.295 168 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 168 V C 2.278 178.258 176.094 -0.191 0.000 1.049 168 V CA 1.590 63.810 62.300 -0.134 0.000 1.024 168 V CB -0.387 31.324 31.823 -0.186 0.000 0.648 168 V HN 0.254 nan 8.190 nan 0.000 0.447 169 I N 0.409 120.859 120.570 -0.200 0.000 2.127 169 I HA -0.273 3.897 4.170 -0.000 0.000 0.241 169 I C 2.683 178.836 176.117 0.060 0.000 1.075 169 I CA 1.700 62.937 61.300 -0.106 0.000 1.334 169 I CB -0.656 37.353 38.000 0.015 0.000 1.040 169 I HN 0.305 nan 8.210 nan 0.000 0.405 170 A N -0.098 122.766 122.820 0.074 0.000 1.933 170 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 170 A C 2.294 179.950 177.584 0.119 0.000 1.175 170 A CA 1.450 53.544 52.037 0.095 0.000 0.628 170 A CB -1.082 17.961 19.000 0.072 0.000 0.814 170 A HN 0.525 nan 8.150 nan 0.000 0.444 171 Y N 0.449 120.754 120.300 0.007 0.000 2.128 171 Y HA -0.178 4.372 4.550 -0.000 0.000 0.284 171 Y C 2.683 178.621 175.900 0.063 0.000 1.154 171 Y CA 1.758 59.869 58.100 0.018 0.000 1.149 171 Y CB -0.296 38.152 38.460 -0.020 0.000 0.976 171 Y HN 0.324 nan 8.280 nan 0.000 0.505 172 A N 0.240 123.255 122.820 0.326 0.000 1.969 172 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 172 A C 2.184 179.915 177.584 0.244 0.000 1.169 172 A CA 1.278 53.505 52.037 0.317 0.000 0.635 172 A CB -0.448 18.766 19.000 0.356 0.000 0.810 172 A HN 0.349 nan 8.150 nan 0.000 0.445 173 R N 0.043 120.651 120.500 0.180 0.000 2.096 173 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 173 R C 2.124 178.470 176.300 0.077 0.000 1.127 173 R CA 1.713 57.898 56.100 0.142 0.000 0.968 173 R CB -0.622 29.782 30.300 0.173 0.000 0.861 173 R HN 0.726 nan 8.270 nan 0.000 0.440 174 K N -0.159 120.273 120.400 0.055 0.000 2.097 174 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 174 K C 2.020 178.605 176.600 -0.023 0.000 1.050 174 K CA 1.125 57.409 56.287 -0.005 0.000 0.938 174 K CB -0.268 32.184 32.500 -0.080 0.000 0.718 174 K HN 0.041 nan 8.250 nan 0.000 0.442 175 F N 1.788 121.656 119.950 -0.137 0.000 2.095 175 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 175 F C 1.587 177.268 175.800 -0.199 0.000 1.104 175 F CA 1.429 59.344 58.000 -0.141 0.000 1.232 175 F CB -0.299 38.655 39.000 -0.078 0.000 0.987 175 F HN -0.034 nan 8.300 nan 0.000 0.475 176 L N 0.036 121.006 121.223 -0.422 0.000 2.046 176 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 176 L C 2.293 178.816 176.870 -0.578 0.000 1.077 176 L CA 1.534 55.887 54.840 -0.811 0.000 0.747 176 L CB -0.897 40.435 42.059 -1.211 0.000 0.896 176 L HN 0.113 nan 8.230 nan 0.000 0.432 177 D N 0.032 120.309 120.400 -0.205 0.000 2.117 177 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 177 D C 1.742 178.011 176.300 -0.053 0.000 0.987 177 D CA 1.295 55.331 54.000 0.060 0.000 0.829 177 D CB -0.160 40.704 40.800 0.105 0.000 0.961 177 D HN 0.336 nan 8.370 nan 0.000 0.460 178 D N -0.309 120.001 120.400 -0.149 0.000 2.224 178 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 178 D C 1.899 178.066 176.300 -0.222 0.000 0.965 178 D CA 0.561 54.475 54.000 -0.144 0.000 0.852 178 D CB 0.181 40.913 40.800 -0.113 0.000 0.947 178 D HN 0.067 nan 8.370 nan 0.000 0.494 179 S N -0.479 114.966 115.700 -0.426 0.000 2.427 179 S HA 0.067 4.537 4.470 -0.000 0.000 0.224 179 S C 1.145 175.567 174.600 -0.297 0.000 1.047 179 S CA 0.035 57.949 58.200 -0.477 0.000 0.953 179 S CB 1.120 63.732 63.200 -0.980 0.000 0.824 179 S HN -0.034 nan 8.310 nan 0.000 0.502 180 V N 3.660 123.425 119.914 -0.248 0.000 2.384 180 V HA 0.332 4.451 4.120 -0.000 0.000 0.257 180 V C -2.938 173.254 176.094 0.162 0.000 0.969 180 V CA -2.011 60.266 62.300 -0.039 0.000 0.910 180 V CB 0.453 32.266 31.823 -0.016 0.000 1.150 180 V HN 0.110 nan 8.190 nan 0.000 0.481 181 P HA 0.067 nan 4.420 nan 0.000 0.264 181 P C -0.080 177.289 177.300 0.115 0.000 1.183 181 P CA 0.480 63.658 63.100 0.130 0.000 0.763 181 P CB 0.631 32.362 31.700 0.052 0.000 0.807 182 L N 1.888 123.147 121.223 0.059 0.000 2.421 182 L HA 0.176 4.515 4.340 -0.000 0.000 0.263 182 L C 1.762 178.609 176.870 -0.038 0.000 1.122 182 L CA -0.253 54.548 54.840 -0.064 0.000 0.804 182 L CB 0.498 42.426 42.059 -0.217 0.000 1.150 182 L HN 0.389 nan 8.230 nan 0.000 0.457 183 S N 0.243 115.914 115.700 -0.048 0.000 2.370 183 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 183 S C 0.565 175.144 174.600 -0.035 0.000 1.033 183 S CA 1.449 59.630 58.200 -0.032 0.000 1.011 183 S CB -0.103 63.076 63.200 -0.035 0.000 0.852 183 S HN 0.829 nan 8.310 nan 0.000 0.457 184 S N -1.162 114.504 115.700 -0.056 0.000 2.556 184 S HA 0.680 5.150 4.470 -0.000 0.000 0.271 184 S C -0.156 174.402 174.600 -0.071 0.000 1.135 184 S CA -0.314 57.856 58.200 -0.050 0.000 0.858 184 S CB 1.469 64.642 63.200 -0.046 0.000 1.114 184 S HN 1.067 nan 8.310 nan 0.000 0.468 185 G N 1.188 109.957 108.800 -0.052 0.000 2.782 185 G HA2 0.260 4.220 3.960 -0.000 0.000 0.228 185 G HA3 0.260 4.220 3.960 -0.000 0.000 0.228 185 G C -0.198 174.670 174.900 -0.053 0.000 1.372 185 G CA -0.077 44.989 45.100 -0.057 0.000 0.862 185 G HN 2.337 nan 8.290 nan 0.000 0.547 186 S N -1.722 113.954 115.700 -0.041 0.000 2.632 186 S HA 0.759 5.229 4.470 -0.000 0.000 0.289 186 S C 0.674 175.282 174.600 0.014 0.000 1.115 186 S CA 0.013 58.230 58.200 0.028 0.000 0.889 186 S CB 1.692 64.944 63.200 0.087 0.000 1.116 186 S HN 0.952 nan 8.310 nan 0.000 0.486 187 F N 1.308 121.281 119.950 0.038 0.000 2.269 187 F HA 0.154 4.681 4.527 -0.000 0.000 0.301 187 F C 2.607 178.451 175.800 0.073 0.000 1.082 187 F CA 1.341 59.390 58.000 0.081 0.000 1.360 187 F CB -0.803 38.276 39.000 0.132 0.000 1.041 187 F HN 0.857 nan 8.300 nan 0.000 0.512 188 G N -0.751 108.188 108.800 0.232 0.000 2.479 188 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 188 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 188 G C 1.142 176.096 174.900 0.089 0.000 1.115 188 G CA 1.175 46.364 45.100 0.149 0.000 0.757 188 G HN 0.282 nan 8.290 nan 0.000 0.560 189 D N 0.114 120.541 120.400 0.046 0.000 2.398 189 D HA 0.300 4.940 4.640 -0.000 0.000 0.210 189 D C 1.400 177.668 176.300 -0.053 0.000 1.094 189 D CA 0.052 54.049 54.000 -0.004 0.000 0.839 189 D CB 0.581 41.366 40.800 -0.024 0.000 0.963 189 D HN 0.287 nan 8.370 nan 0.000 0.506 190 A N 0.936 123.718 122.820 -0.064 0.000 2.520 190 A HA 0.257 4.576 4.320 -0.000 0.000 0.235 190 A C 1.422 178.902 177.584 -0.174 0.000 1.065 190 A CA 0.579 52.498 52.037 -0.197 0.000 0.764 190 A CB 0.320 19.172 19.000 -0.246 0.000 1.002 190 A HN 0.191 nan 8.150 nan 0.000 0.502 191 T N -1.250 113.150 114.554 -0.257 0.000 2.969 191 T HA 0.542 4.892 4.350 -0.000 0.000 0.258 191 T C 0.580 175.150 174.700 -0.217 0.000 0.962 191 T CA 0.636 62.634 62.100 -0.170 0.000 0.903 191 T CB 0.139 68.933 68.868 -0.122 0.000 1.177 191 T HN 2.004 nan 8.240 nan 0.000 0.511 192 G N 0.223 108.763 108.800 -0.433 0.000 2.466 192 G HA2 0.539 4.498 3.960 -0.000 0.000 0.291 192 G HA3 0.539 4.498 3.960 -0.000 0.000 0.291 192 G C -2.265 172.218 174.900 -0.694 0.000 1.460 192 G CA -0.969 43.898 45.100 -0.388 0.000 0.791 192 G HN 0.153 nan 8.290 nan 0.000 0.505 193 F N 0.581 120.512 119.950 -0.031 0.000 2.556 193 F HA 0.772 5.299 4.527 -0.000 0.000 0.314 193 F C 0.492 176.242 175.800 -0.083 0.000 1.106 193 F CA -0.537 57.429 58.000 -0.056 0.000 0.911 193 F CB 3.077 42.066 39.000 -0.018 0.000 1.190 193 F HN 0.669 nan 8.300 nan 0.000 0.448 194 T N -1.013 113.563 114.554 0.037 0.000 2.883 194 T HA 0.778 5.128 4.350 -0.000 0.000 0.301 194 T C -1.546 173.077 174.700 -0.128 0.000 1.158 194 T CA -0.900 61.168 62.100 -0.053 0.000 1.007 194 T CB 1.676 70.506 68.868 -0.064 0.000 1.186 194 T HN 0.310 nan 8.240 nan 0.000 0.499 195 V N 2.228 122.036 119.914 -0.177 0.000 2.378 195 V HA 0.514 4.634 4.120 -0.000 0.000 0.288 195 V C -0.501 175.544 176.094 -0.081 0.000 1.016 195 V CA -0.546 61.650 62.300 -0.173 0.000 0.840 195 V CB 1.024 32.656 31.823 -0.320 0.000 0.994 195 V HN 0.917 nan 8.190 nan 0.000 0.431 196 Q N 2.771 122.550 119.800 -0.034 0.000 2.304 196 Q HA 0.418 4.758 4.340 -0.000 0.000 0.270 196 Q C -0.980 175.042 176.000 0.036 0.000 1.035 196 Q CA -0.832 54.969 55.803 -0.003 0.000 0.781 196 Q CB 2.194 30.919 28.738 -0.022 0.000 1.261 196 Q HN 0.746 nan 8.270 nan 0.000 0.444 197 D N 1.458 121.891 120.400 0.055 0.000 2.723 197 D HA -0.175 4.464 4.640 -0.000 0.000 0.236 197 D C 0.755 177.123 176.300 0.112 0.000 1.138 197 D CA 1.714 55.756 54.000 0.070 0.000 0.676 197 D CB -1.254 39.574 40.800 0.047 0.000 1.069 197 D HN 1.123 nan 8.370 nan 0.000 0.430 198 G N -0.614 108.285 108.800 0.165 0.000 2.212 198 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 198 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 198 G C 0.221 175.324 174.900 0.339 0.000 1.002 198 G CA 1.049 46.308 45.100 0.265 0.000 0.729 198 G HN 0.565 nan 8.290 nan 0.000 0.517 199 Q N -1.120 118.803 119.800 0.205 0.000 2.342 199 Q HA 0.747 5.087 4.340 -0.000 0.000 0.267 199 Q C -0.239 175.675 176.000 -0.143 0.000 1.038 199 Q CA -0.989 54.875 55.803 0.101 0.000 0.832 199 Q CB 1.518 30.281 28.738 0.042 0.000 1.323 199 Q HN 0.446 nan 8.270 nan 0.000 0.448 200 L N 3.640 124.606 121.223 -0.427 0.000 2.290 200 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 200 L C -1.423 175.290 176.870 -0.262 0.000 1.078 200 L CA -0.127 54.333 54.840 -0.634 0.000 0.815 200 L CB 1.073 42.580 42.059 -0.921 0.000 1.162 200 L HN 0.482 nan 8.230 nan 0.000 0.435 201 V N 6.340 126.143 119.914 -0.186 0.000 2.350 201 V HA 0.374 4.494 4.120 -0.000 0.000 0.285 201 V C -0.345 175.670 176.094 -0.131 0.000 1.014 201 V CA -0.692 61.529 62.300 -0.132 0.000 0.831 201 V CB 1.652 33.410 31.823 -0.109 0.000 1.000 201 V HN 0.528 nan 8.190 nan 0.000 0.433 202 V N 4.618 124.429 119.914 -0.172 0.000 2.383 202 V HA 0.603 4.723 4.120 -0.000 0.000 0.275 202 V C 0.733 176.648 176.094 -0.298 0.000 1.036 202 V CA -0.475 61.649 62.300 -0.295 0.000 0.889 202 V CB 1.487 33.106 31.823 -0.340 0.000 0.985 202 V HN 0.943 nan 8.190 nan 0.000 0.459 203 A N 7.029 129.644 122.820 -0.342 0.000 2.362 203 A HA 0.718 5.038 4.320 -0.000 0.000 0.276 203 A C -0.354 177.090 177.584 -0.234 0.000 1.153 203 A CA -0.173 51.717 52.037 -0.245 0.000 0.813 203 A CB 0.103 18.976 19.000 -0.213 0.000 1.081 203 A HN 0.811 nan 8.150 nan 0.000 0.507 204 L N 3.854 124.976 121.223 -0.169 0.000 2.286 204 L HA 0.466 4.806 4.340 -0.000 0.000 0.265 204 L C -1.131 175.681 176.870 -0.098 0.000 1.012 204 L CA -2.142 52.617 54.840 -0.136 0.000 0.818 204 L CB 1.955 43.941 42.059 -0.122 0.000 1.337 204 L HN 0.533 nan 8.230 nan 0.000 0.438 205 P HA -0.165 nan 4.420 nan 0.000 0.214 205 P C 0.552 177.822 177.300 -0.050 0.000 1.162 205 P CA 1.534 64.600 63.100 -0.056 0.000 0.879 205 P CB 0.048 31.723 31.700 -0.042 0.000 0.786 206 D N 0.045 120.416 120.400 -0.048 0.000 2.149 206 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 206 D C 1.211 177.483 176.300 -0.047 0.000 0.972 206 D CA 1.297 55.272 54.000 -0.042 0.000 0.835 206 D CB -0.091 40.686 40.800 -0.037 0.000 0.966 206 D HN 0.343 nan 8.370 nan 0.000 0.476 207 K N -0.921 119.443 120.400 -0.060 0.000 2.491 207 K HA 0.409 4.729 4.320 -0.000 0.000 0.275 207 K C -1.327 175.224 176.600 -0.083 0.000 0.982 207 K CA -0.684 55.565 56.287 -0.063 0.000 0.794 207 K CB 0.949 33.416 32.500 -0.054 0.000 1.488 207 K HN -0.091 nan 8.250 nan 0.000 0.360 208 S N -0.498 115.152 115.700 -0.083 0.000 2.607 208 S HA 0.706 5.176 4.470 -0.000 0.000 0.303 208 S C -1.001 173.539 174.600 -0.101 0.000 1.086 208 S CA -0.499 57.639 58.200 -0.104 0.000 0.995 208 S CB 1.715 64.858 63.200 -0.094 0.000 1.084 208 S HN 0.652 nan 8.310 nan 0.000 0.507 209 T N 0.265 114.744 114.554 -0.125 0.000 2.868 209 T HA 0.686 5.036 4.350 -0.000 0.000 0.306 209 T C -0.067 174.560 174.700 -0.122 0.000 1.224 209 T CA -0.305 61.726 62.100 -0.115 0.000 1.012 209 T CB 1.218 70.010 68.868 -0.128 0.000 1.221 209 T HN 0.728 nan 8.240 nan 0.000 0.499 210 G N 1.344 110.088 108.800 -0.092 0.000 2.795 210 G HA2 0.694 4.654 3.960 -0.000 0.000 0.267 210 G HA3 0.694 4.654 3.960 -0.000 0.000 0.267 210 G C -0.836 174.022 174.900 -0.069 0.000 1.362 210 G CA -0.899 44.153 45.100 -0.082 0.000 1.048 210 G HN 0.795 nan 8.290 nan 0.000 0.547 211 L N 0.526 121.732 121.223 -0.029 0.000 2.350 211 L HA 0.346 4.686 4.340 -0.000 0.000 0.275 211 L C 1.927 178.809 176.870 0.019 0.000 1.099 211 L CA -0.536 54.311 54.840 0.012 0.000 0.808 211 L CB 1.663 43.761 42.059 0.065 0.000 1.149 211 L HN 0.669 nan 8.230 nan 0.000 0.442 212 A N 2.545 125.380 122.820 0.025 0.000 1.908 212 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 212 A C 1.080 178.683 177.584 0.032 0.000 1.181 212 A CA 1.624 53.675 52.037 0.022 0.000 0.627 212 A CB -0.333 18.682 19.000 0.025 0.000 0.818 212 A HN 0.751 nan 8.150 nan 0.000 0.445 213 N N -0.894 117.834 118.700 0.047 0.000 2.776 213 N HA 0.324 5.064 4.740 -0.000 0.000 0.245 213 N C -2.512 173.044 175.510 0.076 0.000 1.121 213 N CA -2.258 50.824 53.050 0.054 0.000 0.852 213 N CB 1.157 39.675 38.487 0.052 0.000 1.142 213 N HN -0.122 nan 8.380 nan 0.000 0.514 214 P HA -0.082 nan 4.420 nan 0.000 0.219 214 P C 1.136 178.528 177.300 0.153 0.000 1.144 214 P CA 1.021 64.189 63.100 0.112 0.000 0.806 214 P CB 0.174 31.928 31.700 0.091 0.000 0.771 215 G N -0.658 108.206 108.800 0.107 0.000 2.559 215 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 215 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 215 G C 1.338 176.296 174.900 0.097 0.000 1.126 215 G CA 0.169 45.323 45.100 0.090 0.000 0.778 215 G HN 0.342 nan 8.290 nan 0.000 0.543 216 Q N -0.875 118.999 119.800 0.123 0.000 2.472 216 Q HA 0.096 4.436 4.340 -0.000 0.000 0.208 216 Q C -0.020 176.104 176.000 0.205 0.000 0.958 216 Q CA -0.312 55.561 55.803 0.118 0.000 0.932 216 Q CB 0.167 28.962 28.738 0.096 0.000 1.007 216 Q HN 0.430 nan 8.270 nan 0.000 0.508 217 F N 0.459 120.450 119.950 0.068 0.000 2.444 217 F HA 0.343 4.870 4.527 -0.000 0.000 0.360 217 F C 0.455 176.314 175.800 0.098 0.000 1.106 217 F CA -0.985 57.074 58.000 0.099 0.000 1.170 217 F CB 0.763 39.831 39.000 0.113 0.000 1.113 217 F HN -0.156 nan 8.300 nan 0.000 0.521 218 A N 3.956 126.709 122.820 -0.111 0.000 2.288 218 A HA 0.695 5.015 4.320 -0.000 0.000 0.216 218 A C 0.836 178.256 177.584 -0.274 0.000 1.199 218 A CA 0.548 52.472 52.037 -0.188 0.000 0.891 218 A CB -0.485 18.546 19.000 0.052 0.000 0.923 218 A HN 1.250 nan 8.150 nan 0.000 0.500 219 G N -1.602 106.916 108.800 -0.470 0.000 2.327 219 G HA2 0.496 4.456 3.960 -0.000 0.000 0.291 219 G HA3 0.496 4.456 3.960 -0.000 0.000 0.291 219 G C -1.155 173.847 174.900 0.171 0.000 1.290 219 G CA 0.029 44.990 45.100 -0.233 0.000 0.857 219 G HN 1.332 nan 8.290 nan 0.000 0.520 220 Y N -2.361 118.038 120.300 0.165 0.000 2.741 220 Y HA 0.819 5.369 4.550 -0.000 0.000 0.339 220 Y C -0.260 175.728 175.900 0.147 0.000 1.226 220 Y CA -0.711 57.526 58.100 0.227 0.000 1.072 220 Y CB 0.948 39.587 38.460 0.297 0.000 1.331 220 Y HN 1.254 nan 8.280 nan 0.000 0.453 221 T N -0.678 114.068 114.554 0.320 0.000 2.924 221 T HA 0.819 5.169 4.350 -0.000 0.000 0.291 221 T C 0.379 175.213 174.700 0.224 0.000 1.045 221 T CA -0.246 61.928 62.100 0.123 0.000 1.015 221 T CB 1.121 69.969 68.868 -0.032 0.000 1.103 221 T HN 2.469 nan 8.240 nan 0.000 0.496 222 G N 0.691 109.568 108.800 0.127 0.000 2.693 222 G HA2 0.329 4.289 3.960 -0.000 0.000 0.226 222 G HA3 0.329 4.289 3.960 -0.000 0.000 0.226 222 G C 0.082 175.096 174.900 0.191 0.000 1.354 222 G CA -0.215 44.956 45.100 0.117 0.000 0.873 222 G HN 1.811 nan 8.290 nan 0.000 0.562 223 A N -0.259 122.627 122.820 0.109 0.000 2.440 223 A HA 0.791 5.111 4.320 -0.000 0.000 0.251 223 A C 1.744 179.328 177.584 0.001 0.000 1.089 223 A CA 0.981 53.069 52.037 0.084 0.000 0.779 223 A CB 0.686 19.710 19.000 0.040 0.000 1.022 223 A HN 2.503 nan 8.150 nan 0.000 0.492 224 A N 1.896 124.674 122.820 -0.070 0.000 1.978 224 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 224 A C 1.555 179.028 177.584 -0.183 0.000 1.170 224 A CA 2.050 53.883 52.037 -0.340 0.000 0.636 224 A CB -0.417 18.438 19.000 -0.241 0.000 0.810 224 A HN 0.838 nan 8.150 nan 0.000 0.448 225 E N 0.145 120.299 120.200 -0.077 0.000 2.418 225 E HA 0.009 4.359 4.350 -0.000 0.000 0.197 225 E C 0.321 176.902 176.600 -0.032 0.000 1.026 225 E CA 0.918 57.290 56.400 -0.047 0.000 0.862 225 E CB -0.019 29.669 29.700 -0.021 0.000 0.799 225 E HN 0.646 nan 8.360 nan 0.000 0.518 226 S N -1.325 114.360 115.700 -0.026 0.000 2.891 226 S HA 0.266 4.736 4.470 -0.000 0.000 0.141 226 S C -3.008 171.606 174.600 0.024 0.000 0.993 226 S CA -1.412 56.792 58.200 0.007 0.000 1.051 226 S CB 0.260 63.468 63.200 0.013 0.000 1.657 226 S HN -0.207 nan 8.310 nan 0.000 0.482 227 P HA 0.172 nan 4.420 nan 0.000 0.267 227 P C 1.294 178.643 177.300 0.081 0.000 1.200 227 P CA -0.045 63.098 63.100 0.071 0.000 0.772 227 P CB 0.583 32.328 31.700 0.075 0.000 0.855 228 T N -2.224 112.380 114.554 0.083 0.000 3.054 228 T HA 0.117 4.467 4.350 -0.000 0.000 0.259 228 T C 0.610 175.333 174.700 0.038 0.000 1.092 228 T CA 0.439 62.566 62.100 0.045 0.000 1.121 228 T CB -0.252 68.626 68.868 0.016 0.000 0.912 228 T HN 0.571 nan 8.240 nan 0.000 0.489 229 S N -0.303 115.443 115.700 0.076 0.000 2.547 229 S HA 0.618 5.088 4.470 -0.000 0.000 0.270 229 S C -1.569 173.116 174.600 0.143 0.000 1.150 229 S CA -0.919 57.319 58.200 0.064 0.000 0.850 229 S CB 1.967 65.202 63.200 0.058 0.000 1.118 229 S HN 0.096 nan 8.310 nan 0.000 0.461 230 V N 2.681 122.639 119.914 0.074 0.000 2.409 230 V HA 0.574 4.694 4.120 -0.000 0.000 0.291 230 V C -0.704 175.505 176.094 0.191 0.000 1.020 230 V CA -0.644 61.759 62.300 0.171 0.000 0.848 230 V CB 1.272 33.076 31.823 -0.032 0.000 0.990 230 V HN 0.899 nan 8.190 nan 0.000 0.430 231 L N 6.883 128.272 121.223 0.276 0.000 2.289 231 L HA 0.659 4.999 4.340 -0.000 0.000 0.285 231 L C -0.604 176.415 176.870 0.248 0.000 1.049 231 L CA 0.447 55.385 54.840 0.164 0.000 0.804 231 L CB 0.879 42.885 42.059 -0.089 0.000 1.195 231 L HN 0.529 nan 8.230 nan 0.000 0.428 232 L N 5.481 126.833 121.223 0.215 0.000 2.283 232 L HA 0.643 4.983 4.340 -0.000 0.000 0.259 232 L C -0.848 176.091 176.870 0.116 0.000 1.027 232 L CA -0.857 54.098 54.840 0.191 0.000 0.828 232 L CB 2.231 44.373 42.059 0.138 0.000 1.380 232 L HN 0.574 nan 8.230 nan 0.000 0.425 233 I N 1.176 121.765 120.570 0.031 0.000 2.656 233 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 233 I C -1.693 174.403 176.117 -0.034 0.000 1.144 233 I CA -0.177 61.061 61.300 -0.104 0.000 1.038 233 I CB 2.188 40.027 38.000 -0.269 0.000 1.244 233 I HN 0.680 nan 8.210 nan 0.000 0.420 234 N N 4.679 123.382 118.700 0.003 0.000 2.425 234 N HA 0.416 5.156 4.740 -0.000 0.000 0.289 234 N C -0.968 174.550 175.510 0.014 0.000 1.074 234 N CA -0.331 52.718 53.050 -0.001 0.000 0.905 234 N CB 0.917 39.410 38.487 0.009 0.000 1.586 234 N HN 0.751 nan 8.380 nan 0.000 0.490 235 H N 2.592 121.653 119.070 -0.015 0.000 2.655 235 H HA -0.201 4.355 4.556 -0.000 0.000 0.313 235 H C 0.999 176.273 175.328 -0.090 0.000 1.141 235 H CA 0.709 56.727 56.048 -0.049 0.000 1.138 235 H CB -1.094 28.635 29.762 -0.055 0.000 1.446 235 H HN 1.011 nan 8.280 nan 0.000 0.415 236 G N -0.461 108.343 108.800 0.007 0.000 2.189 236 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 236 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 236 G C 0.183 174.999 174.900 -0.139 0.000 0.975 236 G CA 0.566 45.623 45.100 -0.072 0.000 0.644 236 G HN 0.435 nan 8.290 nan 0.000 0.537 237 L N 0.227 121.364 121.223 -0.142 0.000 2.329 237 L HA 0.621 4.961 4.340 -0.000 0.000 0.279 237 L C 0.371 177.202 176.870 -0.064 0.000 1.014 237 L CA -1.316 53.455 54.840 -0.115 0.000 0.814 237 L CB 1.443 43.398 42.059 -0.172 0.000 1.257 237 L HN 0.154 nan 8.230 nan 0.000 0.424 238 H N 2.624 121.743 119.070 0.081 0.000 2.511 238 H HA 0.564 5.119 4.556 -0.000 0.000 0.346 238 H C -0.631 174.838 175.328 0.235 0.000 1.128 238 H CA -0.043 56.113 56.048 0.179 0.000 1.342 238 H CB 1.238 31.181 29.762 0.301 0.000 1.470 238 H HN 0.347 nan 8.280 nan 0.000 0.546 239 I N 1.550 122.315 120.570 0.325 0.000 2.478 239 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 239 I C -0.523 175.733 176.117 0.232 0.000 1.042 239 I CA -0.435 61.013 61.300 0.247 0.000 1.067 239 I CB 1.861 39.934 38.000 0.121 0.000 1.233 239 I HN 0.577 nan 8.210 nan 0.000 0.431 240 E N 7.345 127.682 120.200 0.229 0.000 2.155 240 E HA 0.493 4.843 4.350 -0.000 0.000 0.264 240 E C -1.179 175.454 176.600 0.056 0.000 0.886 240 E CA -0.630 55.863 56.400 0.156 0.000 0.752 240 E CB 1.370 31.182 29.700 0.187 0.000 1.133 240 E HN 0.517 nan 8.360 nan 0.000 0.414 241 I N 5.872 126.436 120.570 -0.011 0.000 2.352 241 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 241 I C -0.081 175.977 176.117 -0.098 0.000 1.036 241 I CA -0.415 60.825 61.300 -0.100 0.000 1.336 241 I CB 0.564 38.423 38.000 -0.235 0.000 1.407 241 I HN 0.421 nan 8.210 nan 0.000 0.497 242 L N 7.623 128.784 121.223 -0.102 0.000 2.292 242 L HA 0.514 4.854 4.340 -0.000 0.000 0.284 242 L C -0.274 176.562 176.870 -0.058 0.000 1.065 242 L CA -0.456 54.337 54.840 -0.078 0.000 0.806 242 L CB 1.023 43.022 42.059 -0.100 0.000 1.175 242 L HN 0.484 nan 8.230 nan 0.000 0.431 243 I N 2.948 123.507 120.570 -0.019 0.000 2.389 243 I HA 0.364 4.533 4.170 -0.000 0.000 0.288 243 I C -0.908 175.226 176.117 0.028 0.000 0.999 243 I CA -0.164 61.156 61.300 0.032 0.000 1.129 243 I CB 1.810 39.858 38.000 0.079 0.000 1.288 243 I HN 0.514 nan 8.210 nan 0.000 0.444 244 D N 8.072 128.492 120.400 0.033 0.000 2.362 244 D HA 0.217 4.857 4.640 -0.000 0.000 0.228 244 D C -2.323 173.994 176.300 0.028 0.000 1.326 244 D CA -1.280 52.732 54.000 0.020 0.000 0.927 244 D CB 1.937 42.734 40.800 -0.004 0.000 1.501 244 D HN 0.058 nan 8.370 nan 0.000 0.519 245 P HA -0.063 nan 4.420 nan 0.000 0.226 245 P C 0.753 178.068 177.300 0.024 0.000 1.146 245 P CA 0.782 63.904 63.100 0.038 0.000 0.773 245 P CB 0.423 32.144 31.700 0.036 0.000 0.772 246 E N -1.046 119.162 120.200 0.013 0.000 2.476 246 E HA 0.055 4.405 4.350 -0.000 0.000 0.199 246 E C 0.819 177.415 176.600 -0.007 0.000 1.021 246 E CA 0.241 56.643 56.400 0.004 0.000 0.907 246 E CB -0.068 29.631 29.700 -0.000 0.000 0.974 246 E HN 0.307 nan 8.360 nan 0.000 0.489 247 S N 0.612 116.306 115.700 -0.011 0.000 2.596 247 S HA -0.005 4.465 4.470 -0.000 0.000 0.260 247 S C 1.249 175.824 174.600 -0.042 0.000 1.336 247 S CA -0.311 57.870 58.200 -0.032 0.000 0.993 247 S CB 1.492 64.670 63.200 -0.036 0.000 0.923 247 S HN -0.070 nan 8.310 nan 0.000 0.567 248 Q N 0.701 120.450 119.800 -0.085 0.000 2.030 248 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 248 Q C 1.750 177.678 176.000 -0.121 0.000 0.986 248 Q CA 2.362 58.087 55.803 -0.128 0.000 0.843 248 Q CB -1.054 27.539 28.738 -0.242 0.000 0.904 248 Q HN 0.651 nan 8.270 nan 0.000 0.420 249 V N 0.011 119.849 119.914 -0.128 0.000 2.379 249 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 249 V C 2.248 178.384 176.094 0.070 0.000 1.044 249 V CA 1.606 63.896 62.300 -0.017 0.000 1.036 249 V CB -1.360 30.507 31.823 0.074 0.000 0.664 249 V HN 0.574 nan 8.190 nan 0.000 0.453 250 G N 0.318 109.146 108.800 0.047 0.000 2.440 250 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 250 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 250 G C 1.646 176.585 174.900 0.064 0.000 1.154 250 G CA 1.684 46.823 45.100 0.065 0.000 0.767 250 G HN 0.467 nan 8.290 nan 0.000 0.552 251 T N 0.725 115.305 114.554 0.043 0.000 2.822 251 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 251 T C 2.559 177.295 174.700 0.061 0.000 1.064 251 T CA 2.002 64.129 62.100 0.044 0.000 1.131 251 T CB -0.413 68.474 68.868 0.032 0.000 0.858 251 T HN 0.615 nan 8.240 nan 0.000 0.483 252 T N -1.167 113.435 114.554 0.080 0.000 3.044 252 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 252 T C 0.502 175.263 174.700 0.102 0.000 1.081 252 T CA -0.275 61.882 62.100 0.096 0.000 1.040 252 T CB 0.035 68.981 68.868 0.130 0.000 0.962 252 T HN 0.259 nan 8.240 nan 0.000 0.506 253 D N 0.787 121.254 120.400 0.113 0.000 2.264 253 D HA 0.208 4.848 4.640 -0.000 0.000 0.249 253 D C 0.934 177.296 176.300 0.103 0.000 1.070 253 D CA -0.493 53.584 54.000 0.128 0.000 0.912 253 D CB 1.346 42.249 40.800 0.172 0.000 1.193 253 D HN 0.132 nan 8.370 nan 0.000 0.427 254 R N 1.961 122.520 120.500 0.098 0.000 2.152 254 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 254 R C 1.291 177.622 176.300 0.051 0.000 1.117 254 R CA 1.307 57.445 56.100 0.064 0.000 0.981 254 R CB 0.066 30.397 30.300 0.052 0.000 0.870 254 R HN 0.353 nan 8.270 nan 0.000 0.451 255 A N -0.625 122.251 122.820 0.094 0.000 2.470 255 A HA 0.377 4.697 4.320 -0.000 0.000 0.251 255 A C 1.127 178.806 177.584 0.159 0.000 1.245 255 A CA 0.350 52.440 52.037 0.088 0.000 0.932 255 A CB 0.496 19.557 19.000 0.101 0.000 1.037 255 A HN 0.339 nan 8.150 nan 0.000 0.522 256 G N -0.754 108.127 108.800 0.135 0.000 2.148 256 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 256 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 256 G C 0.267 175.249 174.900 0.137 0.000 0.981 256 G CA 0.162 45.334 45.100 0.119 0.000 0.670 256 G HN 0.859 nan 8.290 nan 0.000 0.528 257 V N 0.971 120.998 119.914 0.188 0.000 2.540 257 V HA 0.170 4.290 4.120 -0.000 0.000 0.297 257 V C 1.685 177.837 176.094 0.096 0.000 1.024 257 V CA 1.543 63.936 62.300 0.155 0.000 1.105 257 V CB 1.411 33.369 31.823 0.225 0.000 0.938 257 V HN 0.502 nan 8.190 nan 0.000 0.482 258 K N 2.718 123.114 120.400 -0.007 0.000 2.242 258 K HA 0.095 4.415 4.320 -0.000 0.000 0.200 258 K C 0.378 176.823 176.600 -0.258 0.000 1.050 258 K CA 0.624 56.877 56.287 -0.056 0.000 0.981 258 K CB 0.441 32.902 32.500 -0.065 0.000 0.795 258 K HN 0.829 nan 8.250 nan 0.000 0.477 259 D N -1.333 118.782 120.400 -0.475 0.000 2.710 259 D HA 0.182 4.822 4.640 -0.000 0.000 0.276 259 D C -1.900 174.005 176.300 -0.659 0.000 1.267 259 D CA -0.472 52.926 54.000 -1.003 0.000 0.772 259 D CB 2.202 42.690 40.800 -0.521 0.000 1.299 259 D HN -0.179 nan 8.370 nan 0.000 0.421 260 V N 2.330 121.879 119.914 -0.608 0.000 2.419 260 V HA 0.392 4.512 4.120 -0.000 0.000 0.287 260 V C -0.287 175.769 176.094 -0.064 0.000 1.017 260 V CA -0.743 61.454 62.300 -0.172 0.000 0.844 260 V CB 1.280 33.115 31.823 0.020 0.000 1.011 260 V HN 0.374 nan 8.190 nan 0.000 0.429 261 I N 5.841 126.420 120.570 0.016 0.000 2.353 261 I HA 0.467 4.637 4.170 -0.000 0.000 0.293 261 I C -0.072 176.166 176.117 0.202 0.000 0.992 261 I CA -0.371 60.998 61.300 0.115 0.000 1.268 261 I CB 1.445 39.547 38.000 0.169 0.000 1.387 261 I HN 0.372 nan 8.210 nan 0.000 0.478 262 L N 4.618 125.939 121.223 0.163 0.000 2.329 262 L HA 0.410 4.750 4.340 -0.000 0.000 0.279 262 L C 0.481 177.379 176.870 0.045 0.000 1.014 262 L CA -0.760 54.161 54.840 0.135 0.000 0.814 262 L CB 1.921 43.998 42.059 0.030 0.000 1.257 262 L HN 0.592 nan 8.230 nan 0.000 0.424 263 E N 1.292 121.421 120.200 -0.120 0.000 2.328 263 E HA 0.095 4.445 4.350 -0.000 0.000 0.265 263 E C -0.263 176.153 176.600 -0.307 0.000 1.057 263 E CA -0.016 56.004 56.400 -0.634 0.000 0.916 263 E CB 0.798 30.082 29.700 -0.692 0.000 0.993 263 E HN 0.676 nan 8.360 nan 0.000 0.446 264 S N 3.419 118.942 115.700 -0.295 0.000 3.036 264 S HA 0.224 4.694 4.470 -0.000 0.000 0.194 264 S C 0.289 174.789 174.600 -0.167 0.000 0.797 264 S CA 0.120 58.221 58.200 -0.166 0.000 0.822 264 S CB 0.265 63.413 63.200 -0.087 0.000 0.810 264 S HN 0.616 nan 8.310 nan 0.000 0.629 265 A N 2.449 125.189 122.820 -0.133 0.000 2.805 265 A HA 0.378 4.698 4.320 -0.000 0.000 0.301 265 A C 0.911 178.427 177.584 -0.113 0.000 1.557 265 A CA -0.315 51.666 52.037 -0.094 0.000 1.254 265 A CB -0.787 18.185 19.000 -0.045 0.000 1.114 265 A HN 0.387 nan 8.150 nan 0.000 0.553 266 I N 1.448 121.936 120.570 -0.135 0.000 2.286 266 I HA -0.076 4.094 4.170 -0.000 0.000 0.248 266 I C 1.529 177.635 176.117 -0.019 0.000 1.115 266 I CA 1.898 63.130 61.300 -0.113 0.000 1.392 266 I CB -1.650 36.269 38.000 -0.134 0.000 1.065 266 I HN 0.653 nan 8.210 nan 0.000 0.418 267 T N -1.885 112.679 114.554 0.016 0.000 2.903 267 T HA 0.636 4.986 4.350 -0.000 0.000 0.299 267 T C -0.308 174.438 174.700 0.077 0.000 1.093 267 T CA -0.605 61.569 62.100 0.124 0.000 1.002 267 T CB 2.850 71.881 68.868 0.272 0.000 1.127 267 T HN -0.046 nan 8.240 nan 0.000 0.488 268 T N 1.858 116.501 114.554 0.149 0.000 2.900 268 T HA 0.586 4.936 4.350 -0.000 0.000 0.295 268 T C -0.583 174.189 174.700 0.120 0.000 1.044 268 T CA -0.674 61.463 62.100 0.063 0.000 0.995 268 T CB 1.051 69.963 68.868 0.074 0.000 1.072 268 T HN 0.675 nan 8.240 nan 0.000 0.473 269 I N 3.411 123.950 120.570 -0.052 0.000 2.330 269 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 269 I C -0.119 175.979 176.117 -0.033 0.000 1.025 269 I CA -0.755 60.525 61.300 -0.032 0.000 1.197 269 I CB 1.070 38.913 38.000 -0.263 0.000 1.358 269 I HN 0.330 nan 8.210 nan 0.000 0.467 270 M N 4.980 124.602 119.600 0.037 0.000 2.220 270 M HA 0.162 4.642 4.480 -0.000 0.000 0.343 270 M C -0.320 175.929 176.300 -0.085 0.000 1.470 270 M CA -0.176 55.115 55.300 -0.014 0.000 1.161 270 M CB -0.145 32.489 32.600 0.056 0.000 1.737 270 M HN 0.353 nan 8.290 nan 0.000 0.464 271 D N 1.829 122.168 120.400 -0.101 0.000 2.232 271 D HA 0.280 4.920 4.640 -0.000 0.000 0.242 271 D C -0.184 176.035 176.300 -0.135 0.000 1.093 271 D CA -0.159 53.807 54.000 -0.056 0.000 0.845 271 D CB 0.658 41.435 40.800 -0.037 0.000 1.124 271 D HN 0.411 nan 8.370 nan 0.000 0.467 272 F N 1.392 121.321 119.950 -0.035 0.000 2.704 272 F HA 0.216 4.743 4.527 -0.000 0.000 0.304 272 F C 1.715 177.539 175.800 0.039 0.000 1.094 272 F CA -0.202 57.784 58.000 -0.023 0.000 1.275 272 F CB 0.506 39.489 39.000 -0.027 0.000 1.073 272 F HN 0.426 nan 8.300 nan 0.000 0.586 273 E N 0.433 120.763 120.200 0.218 0.000 3.349 273 E HA -0.037 4.313 4.350 -0.000 0.000 0.412 273 E C 0.889 177.616 176.600 0.211 0.000 0.363 273 E CA 0.181 56.705 56.400 0.207 0.000 2.411 273 E CB 0.001 29.811 29.700 0.182 0.000 2.217 273 E HN -0.069 nan 8.360 nan 0.000 0.453 274 D N 0.289 120.813 120.400 0.206 0.000 2.315 274 D HA -0.135 4.505 4.640 -0.000 0.000 0.211 274 D C 1.618 178.078 176.300 0.266 0.000 0.977 274 D CA 1.356 55.498 54.000 0.237 0.000 0.894 274 D CB -0.144 40.765 40.800 0.182 0.000 0.910 274 D HN 0.163 nan 8.370 nan 0.000 0.490 275 S N -0.973 114.841 115.700 0.191 0.000 2.556 275 S HA 0.188 4.658 4.470 -0.000 0.000 0.216 275 S C 0.539 175.205 174.600 0.110 0.000 0.970 275 S CA -0.347 57.957 58.200 0.173 0.000 0.912 275 S CB -0.085 63.178 63.200 0.105 0.000 0.790 275 S HN 0.061 nan 8.310 nan 0.000 0.504 276 V N -2.354 117.606 119.914 0.077 0.000 3.040 276 V HA 0.966 5.086 4.120 -0.000 0.000 0.312 276 V C -0.599 175.399 176.094 -0.160 0.000 1.115 276 V CA -1.019 61.229 62.300 -0.086 0.000 0.998 276 V CB 1.319 33.057 31.823 -0.141 0.000 1.042 276 V HN 0.325 nan 8.190 nan 0.000 0.433 277 A N 2.311 124.832 122.820 -0.500 0.000 2.277 277 A HA 0.949 5.269 4.320 -0.000 0.000 0.318 277 A C 0.063 177.331 177.584 -0.528 0.000 1.339 277 A CA -0.008 51.477 52.037 -0.920 0.000 0.875 277 A CB 0.501 18.407 19.000 -1.823 0.000 1.158 277 A HN 2.297 nan 8.150 nan 0.000 0.514 278 A N 2.461 125.093 122.820 -0.314 0.000 2.522 278 A HA 0.550 4.870 4.320 -0.000 0.000 0.285 278 A C 0.316 177.784 177.584 -0.193 0.000 1.198 278 A CA 0.050 51.967 52.037 -0.200 0.000 0.742 278 A CB 0.634 19.582 19.000 -0.088 0.000 1.176 278 A HN 1.836 nan 8.150 nan 0.000 0.444 279 V N -1.034 118.751 119.914 -0.215 0.000 3.528 279 V HA 0.410 4.530 4.120 -0.000 0.000 0.294 279 V C -0.117 175.982 176.094 0.008 0.000 1.404 279 V CA 0.776 62.977 62.300 -0.165 0.000 1.065 279 V CB -0.936 30.783 31.823 -0.173 0.000 0.904 279 V HN 0.750 nan 8.190 nan 0.000 0.435 280 D N -1.779 118.620 120.400 -0.002 0.000 2.677 280 D HA 0.663 5.303 4.640 -0.000 0.000 0.298 280 D C 0.971 177.283 176.300 0.019 0.000 1.250 280 D CA 0.005 54.023 54.000 0.030 0.000 0.888 280 D CB 1.169 41.982 40.800 0.021 0.000 1.397 280 D HN 0.051 nan 8.370 nan 0.000 0.461 281 A N 0.148 122.992 122.820 0.040 0.000 1.908 281 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 281 A C 2.162 179.741 177.584 -0.009 0.000 1.181 281 A CA 2.857 54.918 52.037 0.039 0.000 0.627 281 A CB -1.443 17.598 19.000 0.067 0.000 0.818 281 A HN 0.782 nan 8.150 nan 0.000 0.445 282 A N 0.006 122.818 122.820 -0.013 0.000 1.908 282 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 282 A C 1.796 179.331 177.584 -0.081 0.000 1.181 282 A CA 2.008 54.023 52.037 -0.036 0.000 0.627 282 A CB -0.598 18.387 19.000 -0.025 0.000 0.818 282 A HN 0.496 nan 8.150 nan 0.000 0.445 283 D N -0.237 120.108 120.400 -0.091 0.000 2.117 283 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 283 D C 1.894 178.089 176.300 -0.176 0.000 0.982 283 D CA 1.042 54.961 54.000 -0.136 0.000 0.828 283 D CB -0.229 40.483 40.800 -0.147 0.000 0.967 283 D HN 0.232 nan 8.370 nan 0.000 0.464 284 K N 0.774 121.067 120.400 -0.177 0.000 2.063 284 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 284 K C 2.275 178.588 176.600 -0.479 0.000 1.048 284 K CA 0.329 56.406 56.287 -0.349 0.000 0.928 284 K CB -0.768 31.561 32.500 -0.285 0.000 0.713 284 K HN 0.106 nan 8.250 nan 0.000 0.442 285 V N 2.097 121.844 119.914 -0.280 0.000 2.343 285 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 285 V C 2.451 178.339 176.094 -0.343 0.000 1.051 285 V CA 1.405 63.499 62.300 -0.344 0.000 1.036 285 V CB -0.479 31.215 31.823 -0.214 0.000 0.654 285 V HN 0.205 nan 8.190 nan 0.000 0.451 286 L N 0.251 121.342 121.223 -0.219 0.000 2.042 286 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 286 L C 2.618 179.391 176.870 -0.161 0.000 1.076 286 L CA 1.841 56.582 54.840 -0.166 0.000 0.749 286 L CB -1.218 40.753 42.059 -0.147 0.000 0.893 286 L HN 0.479 nan 8.230 nan 0.000 0.432 287 G N -1.086 107.592 108.800 -0.204 0.000 2.404 287 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 287 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 287 G C 1.303 176.281 174.900 0.130 0.000 1.174 287 G CA 0.357 45.325 45.100 -0.219 0.000 0.780 287 G HN 0.187 nan 8.290 nan 0.000 0.537 288 Y N 0.657 121.089 120.300 0.221 0.000 2.207 288 Y HA -0.062 4.488 4.550 -0.000 0.000 0.287 288 Y C 2.827 178.825 175.900 0.162 0.000 1.156 288 Y CA 1.069 59.318 58.100 0.249 0.000 1.182 288 Y CB -0.632 37.725 38.460 -0.171 0.000 0.979 288 Y HN 0.144 nan 8.280 nan 0.000 0.521 289 R N 0.295 120.782 120.500 -0.022 0.000 2.096 289 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 289 R C 1.821 178.257 176.300 0.225 0.000 1.127 289 R CA 1.498 57.722 56.100 0.207 0.000 0.968 289 R CB -0.085 30.273 30.300 0.097 0.000 0.861 289 R HN 0.264 nan 8.270 nan 0.000 0.440 290 N N 0.155 118.954 118.700 0.164 0.000 2.188 290 N HA -0.223 4.517 4.740 -0.000 0.000 0.184 290 N C 1.287 176.962 175.510 0.273 0.000 1.018 290 N CA 1.264 54.404 53.050 0.149 0.000 0.858 290 N CB -0.518 38.006 38.487 0.062 0.000 0.989 290 N HN 0.441 nan 8.380 nan 0.000 0.426 291 W N 1.287 122.692 121.300 0.175 0.000 2.363 291 W HA -0.148 4.512 4.660 -0.000 0.000 0.296 291 W C 1.742 178.392 176.519 0.219 0.000 1.212 291 W CA 0.429 57.927 57.345 0.254 0.000 1.260 291 W CB -0.109 29.648 29.460 0.495 0.000 1.131 291 W HN 0.060 nan 8.180 nan 0.000 0.530 292 L N 1.755 123.099 121.223 0.202 0.000 2.056 292 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 292 L C 2.528 179.343 176.870 -0.092 0.000 1.078 292 L CA 2.828 57.664 54.840 -0.008 0.000 0.749 292 L CB -1.389 40.769 42.059 0.165 0.000 0.901 292 L HN -0.025 nan 8.230 nan 0.000 0.433 293 G N -0.437 108.369 108.800 0.011 0.000 2.422 293 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 293 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 293 G C 1.591 176.469 174.900 -0.037 0.000 1.146 293 G CA 1.099 46.189 45.100 -0.017 0.000 0.769 293 G HN 0.438 nan 8.290 nan 0.000 0.547 294 L N 0.322 121.533 121.223 -0.020 0.000 2.027 294 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 294 L C 2.737 179.532 176.870 -0.126 0.000 1.074 294 L CA 0.986 55.813 54.840 -0.022 0.000 0.745 294 L CB -0.382 41.728 42.059 0.085 0.000 0.898 294 L HN 0.176 nan 8.230 nan 0.000 0.433 295 N N 0.098 118.624 118.700 -0.289 0.000 2.244 295 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 295 N C 1.613 177.035 175.510 -0.146 0.000 1.016 295 N CA 1.090 53.965 53.050 -0.292 0.000 0.866 295 N CB 0.035 38.237 38.487 -0.475 0.000 0.980 295 N HN 0.389 nan 8.380 nan 0.000 0.430 296 K N 0.002 120.311 120.400 -0.151 0.000 2.418 296 K HA 0.058 4.378 4.320 -0.000 0.000 0.195 296 K C 0.976 177.530 176.600 -0.076 0.000 1.035 296 K CA 0.415 56.628 56.287 -0.123 0.000 1.003 296 K CB 0.294 32.672 32.500 -0.204 0.000 0.793 296 K HN 0.196 nan 8.250 nan 0.000 0.494 297 G N 3.049 111.810 108.800 -0.064 0.000 2.162 297 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 297 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 297 G C 0.236 175.120 174.900 -0.027 0.000 0.976 297 G CA 0.797 45.877 45.100 -0.033 0.000 0.655 297 G HN 0.539 nan 8.290 nan 0.000 0.533 298 D N -0.685 119.692 120.400 -0.037 0.000 2.402 298 D HA 0.360 5.000 4.640 -0.000 0.000 0.216 298 D C 0.916 177.207 176.300 -0.015 0.000 1.128 298 D CA -0.659 53.324 54.000 -0.029 0.000 0.833 298 D CB 0.090 40.865 40.800 -0.042 0.000 0.971 298 D HN 0.414 nan 8.370 nan 0.000 0.503 299 L N 1.467 122.688 121.223 -0.004 0.000 2.455 299 L HA 0.471 4.811 4.340 -0.000 0.000 0.272 299 L C -0.433 176.445 176.870 0.013 0.000 1.174 299 L CA -0.006 54.841 54.840 0.012 0.000 0.869 299 L CB 0.515 42.592 42.059 0.030 0.000 1.130 299 L HN 0.218 nan 8.230 nan 0.000 0.474 300 A N 4.624 127.450 122.820 0.010 0.000 2.437 300 A HA 0.889 5.209 4.320 -0.000 0.000 0.293 300 A C -0.841 176.747 177.584 0.006 0.000 1.038 300 A CA -0.007 52.035 52.037 0.009 0.000 0.708 300 A CB 1.157 20.159 19.000 0.002 0.000 1.251 300 A HN 1.111 nan 8.150 nan 0.000 0.409 313 V N -1.533 118.392 119.914 0.018 0.000 3.156 313 V HA 0.642 4.762 4.120 -0.000 0.000 0.311 313 V C -0.274 175.835 176.094 0.025 0.000 1.208 313 V CA -1.478 60.832 62.300 0.017 0.000 1.063 313 V CB 1.814 33.641 31.823 0.006 0.000 1.098 313 V HN 0.683 nan 8.190 nan 0.000 0.452 314 L N 2.395 123.633 121.223 0.025 0.000 2.416 314 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 314 L C 0.442 177.327 176.870 0.025 0.000 1.161 314 L CA -0.152 54.709 54.840 0.034 0.000 0.845 314 L CB 0.184 42.263 42.059 0.033 0.000 1.119 314 L HN 0.690 nan 8.230 nan 0.000 0.464 315 N N 2.806 121.527 118.700 0.036 0.000 2.444 315 N HA 0.175 4.915 4.740 -0.000 0.000 0.255 315 N C 0.009 175.524 175.510 0.009 0.000 1.255 315 N CA -0.372 52.689 53.050 0.019 0.000 0.933 315 N CB 0.662 39.169 38.487 0.033 0.000 1.143 315 N HN 0.384 nan 8.380 nan 0.000 0.453 316 R N 0.718 121.205 120.500 -0.022 0.000 2.546 316 R HA 0.259 4.599 4.340 -0.000 0.000 0.266 316 R C -0.188 176.087 176.300 -0.042 0.000 1.086 316 R CA -0.455 55.625 56.100 -0.032 0.000 1.160 316 R CB 0.293 30.559 30.300 -0.057 0.000 1.138 316 R HN 0.499 nan 8.270 nan 0.000 0.567 317 D N 1.279 121.657 120.400 -0.038 0.000 2.357 317 D HA 0.100 4.740 4.640 -0.000 0.000 0.242 317 D C 0.162 176.377 176.300 -0.141 0.000 1.153 317 D CA 0.140 54.117 54.000 -0.038 0.000 0.918 317 D CB 0.716 41.515 40.800 -0.002 0.000 1.181 317 D HN 0.068 nan 8.370 nan 0.000 0.435 318 R N 1.455 121.836 120.500 -0.198 0.000 2.297 318 R HA 0.310 4.650 4.340 -0.000 0.000 0.308 318 R C -0.038 175.975 176.300 -0.478 0.000 1.029 318 R CA -0.597 55.251 56.100 -0.420 0.000 0.929 318 R CB 0.819 30.762 30.300 -0.595 0.000 1.046 318 R HN 0.291 nan 8.270 nan 0.000 0.461 319 N N 2.720 121.024 118.700 -0.661 0.000 2.430 319 N HA 0.303 5.043 4.740 -0.000 0.000 0.292 319 N C -1.082 173.841 175.510 -0.978 0.000 1.051 319 N CA -0.093 52.585 53.050 -0.620 0.000 0.917 319 N CB 1.416 39.661 38.487 -0.403 0.000 1.164 319 N HN 0.402 nan 8.380 nan 0.000 0.484 320 Y N -0.739 119.119 120.300 -0.738 0.000 2.644 320 Y HA 0.353 4.903 4.550 -0.000 0.000 0.338 320 Y C 0.171 175.544 175.900 -0.880 0.000 1.119 320 Y CA -0.851 56.744 58.100 -0.843 0.000 1.060 320 Y CB 1.635 39.459 38.460 -1.061 0.000 1.294 320 Y HN 0.195 nan 8.280 nan 0.000 0.472 321 T N 1.621 115.854 114.554 -0.534 0.000 2.779 321 T HA 0.675 5.025 4.350 -0.000 0.000 0.280 321 T C -0.068 174.406 174.700 -0.377 0.000 0.987 321 T CA -0.709 61.096 62.100 -0.492 0.000 0.966 321 T CB 0.967 69.415 68.868 -0.699 0.000 0.933 321 T HN 0.786 nan 8.240 nan 0.000 0.442 322 A N 5.262 128.106 122.820 0.041 0.000 2.425 322 A HA 0.399 4.719 4.320 -0.000 0.000 0.242 322 A C -0.686 176.873 177.584 -0.042 0.000 1.077 322 A CA -1.158 50.957 52.037 0.130 0.000 0.781 322 A CB -0.057 19.016 19.000 0.123 0.000 1.020 322 A HN 0.584 nan 8.150 nan 0.000 0.494 323 P HA -0.149 nan 4.420 nan 0.000 0.219 323 P C 1.269 178.697 177.300 0.214 0.000 1.146 323 P CA 1.967 65.104 63.100 0.062 0.000 0.808 323 P CB -0.022 31.565 31.700 -0.190 0.000 0.779 324 G N -1.440 107.424 108.800 0.107 0.000 2.623 324 G HA2 0.248 4.208 3.960 -0.000 0.000 0.214 324 G HA3 0.248 4.208 3.960 -0.000 0.000 0.214 324 G C 1.202 176.171 174.900 0.114 0.000 1.138 324 G CA 0.746 45.911 45.100 0.108 0.000 0.794 324 G HN 0.462 nan 8.290 nan 0.000 0.535 325 G N -1.161 107.706 108.800 0.111 0.000 2.617 325 G HA2 0.030 3.990 3.960 -0.000 0.000 0.197 325 G HA3 0.030 3.990 3.960 -0.000 0.000 0.197 325 G C 0.842 175.773 174.900 0.051 0.000 1.017 325 G CA 0.123 45.282 45.100 0.098 0.000 0.713 325 G HN 0.961 nan 8.290 nan 0.000 0.481 326 G N 0.366 109.199 108.800 0.054 0.000 2.594 326 G HA2 0.462 4.422 3.960 -0.000 0.000 0.243 326 G HA3 0.462 4.422 3.960 -0.000 0.000 0.243 326 G C -0.103 174.836 174.900 0.066 0.000 1.229 326 G CA 0.099 45.233 45.100 0.056 0.000 0.843 326 G HN 0.302 nan 8.290 nan 0.000 0.578 327 Q N -0.312 119.515 119.800 0.045 0.000 2.230 327 Q HA 0.537 4.877 4.340 -0.000 0.000 0.253 327 Q C -0.600 175.464 176.000 0.108 0.000 0.919 327 Q CA -0.298 55.501 55.803 -0.007 0.000 0.908 327 Q CB 1.844 30.550 28.738 -0.053 0.000 1.245 327 Q HN 0.549 nan 8.270 nan 0.000 0.437 328 F N -2.036 117.891 119.950 -0.037 0.000 2.662 328 F HA 0.754 5.281 4.527 -0.000 0.000 0.312 328 F C -0.932 174.877 175.800 0.015 0.000 1.113 328 F CA -0.885 57.107 58.000 -0.014 0.000 0.951 328 F CB 1.498 40.486 39.000 -0.018 0.000 1.344 328 F HN 0.183 nan 8.300 nan 0.000 0.462 329 T N 2.655 117.351 114.554 0.235 0.000 2.893 329 T HA 0.704 5.054 4.350 -0.000 0.000 0.291 329 T C -0.999 173.860 174.700 0.264 0.000 1.028 329 T CA -0.633 61.536 62.100 0.115 0.000 0.995 329 T CB 1.743 70.630 68.868 0.032 0.000 1.051 329 T HN 0.631 nan 8.240 nan 0.000 0.470 330 L N 3.704 125.060 121.223 0.220 0.000 2.362 330 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 330 L C -2.170 174.838 176.870 0.231 0.000 1.002 330 L CA -2.700 52.295 54.840 0.259 0.000 0.818 330 L CB 2.244 44.487 42.059 0.307 0.000 1.298 330 L HN 0.374 nan 8.230 nan 0.000 0.420 331 P HA -0.024 nan 4.420 nan 0.000 0.264 331 P C 0.329 177.866 177.300 0.394 0.000 1.193 331 P CA 0.108 63.352 63.100 0.240 0.000 0.763 331 P CB 0.883 32.700 31.700 0.195 0.000 0.810 332 G N 3.557 112.511 108.800 0.257 0.000 3.141 332 G HA2 0.071 4.031 3.960 -0.000 0.000 0.218 332 G HA3 0.071 4.031 3.960 -0.000 0.000 0.218 332 G C 0.615 175.705 174.900 0.316 0.000 1.170 332 G CA -0.139 45.135 45.100 0.291 0.000 0.769 332 G HN 0.419 nan 8.290 nan 0.000 0.546 333 R N -0.464 120.181 120.500 0.241 0.000 2.837 333 R HA 0.526 4.866 4.340 -0.000 0.000 0.271 333 R C -0.603 175.774 176.300 0.129 0.000 0.993 333 R CA -0.562 55.638 56.100 0.167 0.000 0.931 333 R CB 1.678 32.051 30.300 0.122 0.000 1.206 333 R HN 0.077 nan 8.270 nan 0.000 0.474 334 S N 1.373 117.133 115.700 0.100 0.000 2.548 334 S HA 0.160 4.630 4.470 -0.000 0.000 0.277 334 S C -0.246 174.421 174.600 0.112 0.000 1.315 334 S CA -0.675 57.572 58.200 0.077 0.000 1.050 334 S CB 0.422 63.663 63.200 0.069 0.000 0.918 334 S HN 0.397 nan 8.310 nan 0.000 0.497 335 L N 6.340 127.626 121.223 0.105 0.000 2.462 335 L HA 0.340 4.680 4.340 -0.000 0.000 0.272 335 L C -0.203 176.784 176.870 0.196 0.000 1.166 335 L CA 0.807 55.716 54.840 0.114 0.000 0.880 335 L CB 0.071 42.157 42.059 0.044 0.000 1.142 335 L HN 0.722 nan 8.230 nan 0.000 0.473 336 M N 5.421 125.164 119.600 0.238 0.000 2.233 336 M HA 0.358 4.837 4.480 -0.000 0.000 0.355 336 M C -0.814 175.749 176.300 0.438 0.000 1.191 336 M CA -0.047 55.480 55.300 0.378 0.000 1.101 336 M CB 0.917 33.788 32.600 0.451 0.000 1.592 336 M HN 0.371 nan 8.290 nan 0.000 0.461 337 F N 1.087 121.207 119.950 0.284 0.000 2.557 337 F HA 0.747 5.273 4.527 -0.000 0.000 0.336 337 F C -0.204 175.660 175.800 0.106 0.000 1.058 337 F CA -0.917 57.244 58.000 0.268 0.000 0.988 337 F CB 1.653 40.783 39.000 0.217 0.000 1.275 337 F HN 0.234 nan 8.300 nan 0.000 0.488 338 V N 2.411 122.438 119.914 0.189 0.000 2.623 338 V HA 0.513 4.633 4.120 -0.000 0.000 0.304 338 V C -1.077 175.040 176.094 0.039 0.000 1.054 338 V CA -0.747 61.434 62.300 -0.198 0.000 0.882 338 V CB 1.667 32.975 31.823 -0.859 0.000 1.002 338 V HN 0.759 nan 8.190 nan 0.000 0.424 339 R N 5.820 126.373 120.500 0.089 0.000 2.198 339 R HA 0.444 4.784 4.340 -0.000 0.000 0.339 339 R C 0.148 176.551 176.300 0.172 0.000 1.020 339 R CA -0.159 56.035 56.100 0.157 0.000 0.864 339 R CB 0.390 30.790 30.300 0.167 0.000 1.105 339 R HN 0.894 nan 8.270 nan 0.000 0.463 340 N N 1.751 120.528 118.700 0.127 0.000 2.381 340 N HA 0.092 4.832 4.740 -0.000 0.000 0.254 340 N C 0.075 175.664 175.510 0.132 0.000 1.264 340 N CA -0.577 52.531 53.050 0.096 0.000 0.942 340 N CB 1.165 39.711 38.487 0.097 0.000 1.190 340 N HN 0.348 nan 8.380 nan 0.000 0.495 341 V N -1.225 118.768 119.914 0.131 0.000 3.133 341 V HA 0.534 4.654 4.120 -0.000 0.000 0.305 341 V C 1.011 177.141 176.094 0.059 0.000 1.084 341 V CA -0.635 61.735 62.300 0.117 0.000 1.089 341 V CB 0.567 32.476 31.823 0.143 0.000 1.073 341 V HN 0.682 nan 8.190 nan 0.000 0.477 342 G N -0.126 108.669 108.800 -0.007 0.000 2.516 342 G HA2 0.253 4.213 3.960 -0.000 0.000 0.276 342 G HA3 0.253 4.213 3.960 -0.000 0.000 0.276 342 G C 0.480 175.356 174.900 -0.040 0.000 1.390 342 G CA -0.165 44.867 45.100 -0.114 0.000 1.050 342 G HN 0.922 nan 8.290 nan 0.000 0.519 343 H N -0.852 118.231 119.070 0.022 0.000 2.546 343 H HA -0.016 4.540 4.556 -0.000 0.000 0.277 343 H C 2.209 177.498 175.328 -0.065 0.000 1.004 343 H CA 0.435 56.462 56.048 -0.034 0.000 1.231 343 H CB -0.055 29.665 29.762 -0.070 0.000 1.382 343 H HN 0.218 nan 8.280 nan 0.000 0.580 344 L N 0.054 121.321 121.223 0.073 0.000 1.982 344 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 344 L C 0.938 177.930 176.870 0.203 0.000 1.078 344 L CA 1.171 56.061 54.840 0.083 0.000 0.749 344 L CB -0.240 41.769 42.059 -0.084 0.000 0.894 344 L HN -0.027 nan 8.230 nan 0.000 0.436 345 M N 0.557 120.223 119.600 0.111 0.000 2.232 345 M HA 0.184 4.664 4.480 -0.000 0.000 0.321 345 M C 0.418 176.850 176.300 0.221 0.000 1.101 345 M CA 0.453 55.816 55.300 0.105 0.000 1.181 345 M CB -0.300 32.278 32.600 -0.036 0.000 1.432 345 M HN 0.486 nan 8.290 nan 0.000 0.457 346 T N -0.738 113.880 114.554 0.106 0.000 2.940 346 T HA 0.645 4.995 4.350 -0.000 0.000 0.288 346 T C -0.459 174.308 174.700 0.112 0.000 1.045 346 T CA -0.995 61.140 62.100 0.057 0.000 1.018 346 T CB 2.454 71.249 68.868 -0.123 0.000 1.151 346 T HN 0.654 nan 8.240 nan 0.000 0.529 347 N N 0.256 119.031 118.700 0.126 0.000 2.406 347 N HA 0.141 4.881 4.740 -0.000 0.000 0.283 347 N C -0.667 174.921 175.510 0.131 0.000 1.074 347 N CA -0.393 52.755 53.050 0.163 0.000 0.916 347 N CB 2.346 40.959 38.487 0.209 0.000 1.639 347 N HN 0.890 nan 8.380 nan 0.000 0.485 348 D N 2.458 122.926 120.400 0.113 0.000 2.371 348 D HA -0.004 4.636 4.640 -0.000 0.000 0.234 348 D C 1.262 177.624 176.300 0.103 0.000 1.049 348 D CA 0.131 54.185 54.000 0.090 0.000 0.907 348 D CB -0.197 40.645 40.800 0.071 0.000 0.891 348 D HN 0.496 nan 8.370 nan 0.000 0.531 349 A N 0.305 123.206 122.820 0.135 0.000 2.024 349 A HA 0.041 4.361 4.320 -0.000 0.000 0.220 349 A C 1.175 178.862 177.584 0.171 0.000 1.164 349 A CA 0.705 52.833 52.037 0.152 0.000 0.643 349 A CB -0.273 18.845 19.000 0.197 0.000 0.806 349 A HN 0.430 nan 8.150 nan 0.000 0.451 350 I N -0.483 120.191 120.570 0.172 0.000 2.644 350 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 350 I C -0.989 175.192 176.117 0.107 0.000 1.180 350 I CA -0.939 60.459 61.300 0.163 0.000 1.040 350 I CB 2.490 40.638 38.000 0.245 0.000 1.255 350 I HN 0.030 nan 8.210 nan 0.000 0.422 351 V N 1.003 120.960 119.914 0.071 0.000 3.040 351 V HA 0.710 4.830 4.120 -0.000 0.000 0.312 351 V C -0.941 175.172 176.094 0.031 0.000 1.115 351 V CA -0.694 61.630 62.300 0.040 0.000 0.998 351 V CB 2.031 33.870 31.823 0.026 0.000 1.042 351 V HN 0.796 nan 8.190 nan 0.000 0.433 352 D N 0.649 121.059 120.400 0.017 0.000 2.478 352 D HA 0.334 4.974 4.640 -0.000 0.000 0.269 352 D C 1.157 177.461 176.300 0.006 0.000 1.232 352 D CA 0.391 54.400 54.000 0.015 0.000 1.059 352 D CB 0.163 40.970 40.800 0.013 0.000 1.104 352 D HN 0.547 nan 8.370 nan 0.000 0.566 353 T N -0.748 113.809 114.554 0.004 0.000 2.685 353 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 353 T C 0.856 175.555 174.700 -0.001 0.000 1.034 353 T CA 1.803 63.903 62.100 -0.000 0.000 1.149 353 T CB -0.434 68.434 68.868 0.000 0.000 0.860 353 T HN 0.434 nan 8.240 nan 0.000 0.449 354 D N 0.232 120.631 120.400 -0.000 0.000 2.348 354 D HA 0.159 4.799 4.640 -0.000 0.000 0.216 354 D C 1.728 178.026 176.300 -0.002 0.000 0.970 354 D CA 1.006 55.005 54.000 -0.002 0.000 0.889 354 D CB -0.299 40.499 40.800 -0.002 0.000 0.912 354 D HN 0.580 nan 8.370 nan 0.000 0.524 355 G N -0.000 108.799 108.800 -0.001 0.000 2.159 355 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.227 355 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.227 355 G C 0.309 175.207 174.900 -0.003 0.000 0.986 355 G CA 0.097 45.198 45.100 0.001 0.000 0.651 355 G HN 0.268 nan 8.290 nan 0.000 0.523 356 S N 1.201 116.893 115.700 -0.012 0.000 2.516 356 S HA 0.355 4.825 4.470 -0.000 0.000 0.282 356 S C 0.529 175.106 174.600 -0.038 0.000 1.286 356 S CA -0.115 58.066 58.200 -0.033 0.000 1.066 356 S CB 0.987 64.160 63.200 -0.046 0.000 0.884 356 S HN 0.482 nan 8.310 nan 0.000 0.491 357 E N 1.609 121.778 120.200 -0.051 0.000 2.392 357 E HA 0.139 4.489 4.350 -0.000 0.000 0.264 357 E C -0.419 176.121 176.600 -0.100 0.000 1.024 357 E CA -0.271 56.106 56.400 -0.039 0.000 0.903 357 E CB 0.597 30.284 29.700 -0.022 0.000 0.963 357 E HN 0.288 nan 8.360 nan 0.000 0.432 358 V N 3.871 123.773 119.914 -0.021 0.000 2.607 358 V HA 0.083 4.203 4.120 -0.000 0.000 0.289 358 V C 0.114 176.221 176.094 0.023 0.000 1.053 358 V CA -0.261 62.036 62.300 -0.005 0.000 0.996 358 V CB 0.380 32.272 31.823 0.116 0.000 0.995 358 V HN 0.537 nan 8.190 nan 0.000 0.476 359 F N 2.300 122.322 119.950 0.119 0.000 2.602 359 F HA -0.028 4.499 4.527 -0.000 0.000 0.385 359 F C 1.617 177.511 175.800 0.156 0.000 1.063 359 F CA 0.602 58.679 58.000 0.129 0.000 1.233 359 F CB 0.353 39.435 39.000 0.136 0.000 1.067 359 F HN 0.696 nan 8.300 nan 0.000 0.564 360 E N 2.872 123.290 120.200 0.362 0.000 2.106 360 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 360 E C 2.300 179.065 176.600 0.276 0.000 0.984 360 E CA 1.036 57.613 56.400 0.295 0.000 0.806 360 E CB -0.134 29.718 29.700 0.253 0.000 0.750 360 E HN 0.940 nan 8.360 nan 0.000 0.458 361 G N 1.397 110.361 108.800 0.274 0.000 2.440 361 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 361 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 361 G C 1.573 176.601 174.900 0.214 0.000 1.154 361 G CA 0.894 46.131 45.100 0.229 0.000 0.767 361 G HN 0.234 nan 8.290 nan 0.000 0.552 362 I N 0.416 121.128 120.570 0.235 0.000 2.179 362 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 362 I C 2.990 179.149 176.117 0.071 0.000 1.088 362 I CA 1.262 62.654 61.300 0.155 0.000 1.357 362 I CB -0.255 37.861 38.000 0.193 0.000 1.051 362 I HN 0.190 nan 8.210 nan 0.000 0.409 363 M N 0.047 119.726 119.600 0.131 0.000 2.117 363 M HA -0.232 4.248 4.480 -0.000 0.000 0.262 363 M C 1.845 178.202 176.300 0.095 0.000 1.065 363 M CA 1.708 57.057 55.300 0.083 0.000 1.114 363 M CB -0.643 32.203 32.600 0.410 0.000 1.361 363 M HN 0.171 nan 8.290 nan 0.000 0.408 364 D N 0.681 121.200 120.400 0.198 0.000 2.123 364 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 364 D C 2.002 178.300 176.300 -0.004 0.000 0.992 364 D CA 1.684 55.762 54.000 0.131 0.000 0.833 364 D CB -0.190 40.650 40.800 0.068 0.000 0.954 364 D HN 0.340 nan 8.370 nan 0.000 0.455 365 A N 0.371 123.192 122.820 0.001 0.000 1.883 365 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 365 A C 2.403 179.889 177.584 -0.163 0.000 1.186 365 A CA 1.085 53.082 52.037 -0.066 0.000 0.624 365 A CB -0.780 18.257 19.000 0.060 0.000 0.822 365 A HN 0.231 nan 8.150 nan 0.000 0.444 366 L N -2.110 118.975 121.223 -0.230 0.000 2.027 366 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 366 L C 2.572 179.289 176.870 -0.256 0.000 1.074 366 L CA 1.488 56.127 54.840 -0.336 0.000 0.745 366 L CB -0.570 41.110 42.059 -0.632 0.000 0.898 366 L HN 0.458 nan 8.230 nan 0.000 0.433 367 F N -0.243 119.660 119.950 -0.078 0.000 2.149 367 F HA -0.179 4.348 4.527 0.000 0.000 0.294 367 F C 2.938 178.619 175.800 -0.198 0.000 1.095 367 F CA 1.302 59.150 58.000 -0.254 0.000 1.276 367 F CB -0.784 37.776 39.000 -0.733 0.000 1.023 367 F HN 0.147 nan 8.300 nan 0.000 0.480 368 T N -2.106 112.463 114.554 0.025 0.000 2.915 368 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 368 T C 2.156 177.025 174.700 0.282 0.000 1.071 368 T CA 1.085 63.322 62.100 0.228 0.000 1.132 368 T CB -1.012 67.805 68.868 -0.085 0.000 0.878 368 T HN 0.295 nan 8.240 nan 0.000 0.479 369 G N 1.617 110.440 108.800 0.039 0.000 2.404 369 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.215 369 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.215 369 G C 1.408 176.291 174.900 -0.028 0.000 1.174 369 G CA 0.846 45.920 45.100 -0.044 0.000 0.780 369 G HN 0.483 nan 8.290 nan 0.000 0.537 370 L N 0.967 122.174 121.223 -0.027 0.000 1.989 370 L HA -0.028 4.311 4.340 -0.000 0.000 0.211 370 L C 2.705 179.528 176.870 -0.078 0.000 1.071 370 L CA 1.628 56.410 54.840 -0.097 0.000 0.749 370 L CB -0.544 41.408 42.059 -0.178 0.000 0.890 370 L HN 0.273 nan 8.230 nan 0.000 0.431 371 I N -0.062 120.536 120.570 0.046 0.000 2.264 371 I HA -0.324 3.845 4.170 -0.000 0.000 0.248 371 I C 2.570 178.657 176.117 -0.049 0.000 1.111 371 I CA 1.253 62.606 61.300 0.089 0.000 1.382 371 I CB -0.730 37.379 38.000 0.183 0.000 1.060 371 I HN 0.431 nan 8.210 nan 0.000 0.418 372 A N 0.835 123.651 122.820 -0.007 0.000 2.070 372 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 372 A C 2.265 179.768 177.584 -0.135 0.000 1.159 372 A CA 1.234 53.228 52.037 -0.073 0.000 0.656 372 A CB -0.814 18.267 19.000 0.136 0.000 0.800 372 A HN 0.430 nan 8.150 nan 0.000 0.453 373 I N -0.863 119.602 120.570 -0.176 0.000 2.264 373 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 373 I C 2.292 178.245 176.117 -0.274 0.000 1.111 373 I CA 1.280 62.430 61.300 -0.250 0.000 1.382 373 I CB -0.554 37.245 38.000 -0.335 0.000 1.060 373 I HN 0.443 nan 8.210 nan 0.000 0.418 374 H N 0.216 119.185 119.070 -0.168 0.000 2.421 374 H HA -0.068 4.488 4.556 -0.000 0.000 0.298 374 H C 2.256 177.492 175.328 -0.155 0.000 1.087 374 H CA 1.473 57.425 56.048 -0.160 0.000 1.330 374 H CB -0.436 29.218 29.762 -0.180 0.000 1.388 374 H HN 0.393 nan 8.280 nan 0.000 0.526 375 G N 0.260 109.011 108.800 -0.082 0.000 2.848 375 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.208 375 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.208 375 G C 1.410 176.269 174.900 -0.067 0.000 1.152 375 G CA -0.092 44.950 45.100 -0.096 0.000 0.789 375 G HN 0.274 nan 8.290 nan 0.000 0.531 376 L N -0.366 120.807 121.223 -0.083 0.000 2.667 376 L HA 0.293 4.633 4.340 -0.000 0.000 0.232 376 L C 0.761 177.593 176.870 -0.064 0.000 1.138 376 L CA 0.061 54.855 54.840 -0.077 0.000 0.921 376 L CB 0.017 42.013 42.059 -0.106 0.000 1.180 376 L HN 0.251 nan 8.230 nan 0.000 0.487 377 K N -0.435 119.933 120.400 -0.054 0.000 2.477 377 K HA 0.717 5.036 4.320 -0.000 0.000 0.255 377 K C -0.601 175.985 176.600 -0.023 0.000 0.952 377 K CA -0.837 55.425 56.287 -0.041 0.000 0.826 377 K CB 2.114 34.584 32.500 -0.049 0.000 1.331 377 K HN -0.155 nan 8.250 nan 0.000 0.437 378 A N 1.807 124.615 122.820 -0.020 0.000 2.548 378 A HA 0.154 4.474 4.320 -0.000 0.000 0.247 378 A C 0.445 178.021 177.584 -0.014 0.000 1.067 378 A CA 0.067 52.095 52.037 -0.015 0.000 0.757 378 A CB -0.510 18.481 19.000 -0.014 0.000 0.996 378 A HN 0.788 nan 8.150 nan 0.000 0.504 379 S N 3.189 118.880 115.700 -0.015 0.000 2.560 379 S HA 0.205 4.675 4.470 -0.000 0.000 0.284 379 S C -0.158 174.429 174.600 -0.021 0.000 1.327 379 S CA -0.483 57.705 58.200 -0.020 0.000 1.055 379 S CB 0.502 63.689 63.200 -0.023 0.000 0.868 379 S HN 0.662 nan 8.310 nan 0.000 0.506 387 N N 2.414 121.126 118.700 0.020 0.000 2.178 387 N HA -0.005 4.735 4.740 -0.000 0.000 0.189 387 N C 0.366 175.927 175.510 0.084 0.000 1.048 387 N CA 0.747 53.830 53.050 0.054 0.000 0.855 387 N CB 0.330 38.845 38.487 0.047 0.000 1.028 387 N HN 0.475 nan 8.380 nan 0.000 0.441 388 S N -0.255 115.488 115.700 0.071 0.000 2.433 388 S HA 0.390 4.860 4.470 -0.000 0.000 0.310 388 S C 0.269 174.895 174.600 0.043 0.000 1.097 388 S CA -0.651 57.607 58.200 0.096 0.000 1.103 388 S CB 1.303 64.549 63.200 0.077 0.000 0.992 388 S HN 0.226 nan 8.310 nan 0.000 0.469 389 R N 1.719 122.250 120.500 0.052 0.000 2.246 389 R HA 0.102 4.442 4.340 -0.000 0.000 0.199 389 R C 1.973 178.285 176.300 0.020 0.000 0.984 389 R CA 1.199 57.317 56.100 0.029 0.000 1.015 389 R CB -0.357 29.963 30.300 0.035 0.000 0.930 389 R HN 0.750 nan 8.270 nan 0.000 0.475 390 T N -3.237 111.337 114.554 0.032 0.000 3.107 390 T HA 0.236 4.586 4.350 -0.000 0.000 0.249 390 T C 1.299 175.990 174.700 -0.015 0.000 1.096 390 T CA 0.279 62.390 62.100 0.019 0.000 1.012 390 T CB 0.472 69.367 68.868 0.046 0.000 0.977 390 T HN 0.298 nan 8.240 nan 0.000 0.527 391 G N 0.609 109.386 108.800 -0.038 0.000 2.137 391 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.237 391 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.237 391 G C 0.017 174.826 174.900 -0.151 0.000 1.002 391 G CA 0.003 45.054 45.100 -0.082 0.000 0.702 391 G HN 0.684 nan 8.290 nan 0.000 0.515 392 S N -0.730 114.828 115.700 -0.237 0.000 2.593 392 S HA 0.796 5.266 4.470 -0.000 0.000 0.297 392 S C 0.183 174.345 174.600 -0.729 0.000 1.112 392 S CA -0.558 57.349 58.200 -0.487 0.000 1.043 392 S CB 1.679 64.501 63.200 -0.630 0.000 1.054 392 S HN 0.375 nan 8.310 nan 0.000 0.516 393 I N 2.429 122.595 120.570 -0.674 0.000 2.406 393 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 393 I C -1.440 174.333 176.117 -0.574 0.000 0.999 393 I CA -0.591 60.412 61.300 -0.494 0.000 1.124 393 I CB 1.148 38.995 38.000 -0.254 0.000 1.289 393 I HN 0.617 nan 8.210 nan 0.000 0.441 394 Y N 6.841 127.078 120.300 -0.105 0.000 2.434 394 Y HA 0.534 5.084 4.550 -0.000 0.000 0.341 394 Y C 0.040 175.965 175.900 0.041 0.000 0.965 394 Y CA -0.619 57.374 58.100 -0.178 0.000 1.205 394 Y CB 0.743 38.739 38.460 -0.773 0.000 1.121 394 Y HN 0.313 nan 8.280 nan 0.000 0.507 395 I N 4.234 124.939 120.570 0.224 0.000 2.378 395 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 395 I C -0.664 175.623 176.117 0.284 0.000 0.992 395 I CA -1.113 60.330 61.300 0.238 0.000 1.154 395 I CB 1.565 39.656 38.000 0.152 0.000 1.315 395 I HN 0.243 nan 8.210 nan 0.000 0.448 396 V N 5.902 125.977 119.914 0.268 0.000 2.461 396 V HA 0.239 4.359 4.120 -0.000 0.000 0.275 396 V C 0.109 176.314 176.094 0.185 0.000 1.047 396 V CA -0.439 61.980 62.300 0.198 0.000 0.955 396 V CB 1.307 33.314 31.823 0.305 0.000 0.988 396 V HN 0.544 nan 8.190 nan 0.000 0.471 397 K N 8.472 128.948 120.400 0.128 0.000 2.367 397 K HA 0.523 4.843 4.320 -0.000 0.000 0.263 397 K C -2.575 174.060 176.600 0.058 0.000 1.000 397 K CA -2.057 54.273 56.287 0.072 0.000 0.891 397 K CB 1.660 34.152 32.500 -0.013 0.000 1.117 397 K HN 0.384 nan 8.250 nan 0.000 0.443 398 P HA 0.246 nan 4.420 nan 0.000 0.284 398 P C -1.044 176.253 177.300 -0.005 0.000 1.287 398 P CA -0.392 62.750 63.100 0.070 0.000 0.824 398 P CB 0.663 32.433 31.700 0.116 0.000 1.180 399 K N -1.293 119.125 120.400 0.030 0.000 2.975 399 K HA -0.175 4.145 4.320 -0.000 0.000 0.257 399 K C 0.276 176.917 176.600 0.068 0.000 1.005 399 K CA 0.586 56.904 56.287 0.052 0.000 0.738 399 K CB -1.666 30.849 32.500 0.026 0.000 1.236 399 K HN 0.517 nan 8.250 nan 0.000 0.483 400 M N 0.758 120.359 119.600 0.002 0.000 2.235 400 M HA 0.137 4.617 4.480 -0.000 0.000 0.351 400 M C 0.446 176.762 176.300 0.027 0.000 1.178 400 M CA 0.106 55.449 55.300 0.072 0.000 1.143 400 M CB 0.760 33.384 32.600 0.041 0.000 1.530 400 M HN 0.071 nan 8.290 nan 0.000 0.461 401 H N 2.013 121.128 119.070 0.076 0.000 2.697 401 H HA 0.433 4.989 4.556 -0.000 0.000 0.270 401 H C 0.291 175.605 175.328 -0.024 0.000 1.188 401 H CA -0.085 55.974 56.048 0.017 0.000 1.322 401 H CB 0.694 30.465 29.762 0.015 0.000 1.405 401 H HN 0.993 nan 8.280 nan 0.000 0.502 402 G N 3.850 112.670 108.800 0.033 0.000 2.699 402 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 402 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 402 G C -1.920 172.995 174.900 0.025 0.000 1.301 402 G CA -0.766 44.332 45.100 -0.004 0.000 0.816 402 G HN 0.310 nan 8.290 nan 0.000 0.595 403 P HA -0.101 nan 4.420 nan 0.000 0.218 403 P C 1.940 179.251 177.300 0.018 0.000 1.148 403 P CA 2.516 65.625 63.100 0.016 0.000 0.822 403 P CB -0.063 31.639 31.700 0.002 0.000 0.784 404 A N 0.745 123.569 122.820 0.008 0.000 1.930 404 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 404 A C 2.218 179.827 177.584 0.042 0.000 1.175 404 A CA 1.363 53.404 52.037 0.006 0.000 0.627 404 A CB -1.123 17.861 19.000 -0.027 0.000 0.815 404 A HN 0.182 nan 8.150 nan 0.000 0.443 405 E N -0.299 119.940 120.200 0.065 0.000 2.204 405 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 405 E C 1.912 178.664 176.600 0.254 0.000 0.989 405 E CA 1.084 57.578 56.400 0.158 0.000 0.824 405 E CB -0.165 29.681 29.700 0.244 0.000 0.756 405 E HN 0.444 nan 8.360 nan 0.000 0.477 406 V N 1.331 121.325 119.914 0.133 0.000 2.379 406 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 406 V C 2.349 178.452 176.094 0.016 0.000 1.044 406 V CA 1.733 64.075 62.300 0.070 0.000 1.036 406 V CB -0.592 31.256 31.823 0.041 0.000 0.664 406 V HN 0.273 nan 8.190 nan 0.000 0.453 407 A N -0.404 122.432 122.820 0.025 0.000 1.972 407 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 407 A C 2.092 179.676 177.584 0.000 0.000 1.169 407 A CA 1.809 53.843 52.037 -0.005 0.000 0.635 407 A CB -0.672 18.330 19.000 0.003 0.000 0.810 407 A HN 0.527 nan 8.150 nan 0.000 0.446 408 F N 1.359 121.248 119.950 -0.102 0.000 2.134 408 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 408 F C 2.374 178.092 175.800 -0.137 0.000 1.097 408 F CA 2.176 60.090 58.000 -0.144 0.000 1.264 408 F CB -0.721 38.127 39.000 -0.253 0.000 1.001 408 F HN 0.188 nan 8.300 nan 0.000 0.479 409 T N -0.322 114.122 114.554 -0.184 0.000 2.746 409 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 409 T C 2.186 176.508 174.700 -0.630 0.000 1.039 409 T CA 1.629 63.491 62.100 -0.397 0.000 1.142 409 T CB -0.987 67.700 68.868 -0.302 0.000 0.866 409 T HN 0.405 nan 8.240 nan 0.000 0.444 410 C N 1.158 120.216 119.300 -0.404 0.000 2.425 410 C HA -0.020 4.440 4.460 -0.000 0.000 0.277 410 C C 2.801 177.679 174.990 -0.187 0.000 1.280 410 C CA 0.666 59.508 59.018 -0.293 0.000 1.744 410 C CB -0.880 26.768 27.740 -0.153 0.000 1.989 410 C HN 0.579 nan 8.230 nan 0.000 0.491 411 E N 1.057 121.130 120.200 -0.213 0.000 2.106 411 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 411 E C 1.901 178.383 176.600 -0.196 0.000 0.984 411 E CA 0.831 57.129 56.400 -0.170 0.000 0.806 411 E CB -0.497 29.109 29.700 -0.157 0.000 0.750 411 E HN 0.474 nan 8.360 nan 0.000 0.458 412 L N -0.224 120.791 121.223 -0.348 0.000 2.017 412 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 412 L C 1.977 178.883 176.870 0.060 0.000 1.073 412 L CA 1.764 56.456 54.840 -0.247 0.000 0.745 412 L CB -0.807 41.033 42.059 -0.364 0.000 0.894 412 L HN 0.103 nan 8.230 nan 0.000 0.432 413 F N -0.311 119.536 119.950 -0.172 0.000 2.126 413 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 413 F C 3.050 178.785 175.800 -0.108 0.000 1.096 413 F CA 1.297 59.226 58.000 -0.119 0.000 1.255 413 F CB -1.615 37.330 39.000 -0.092 0.000 0.997 413 F HN 0.270 nan 8.300 nan 0.000 0.479 414 S N -0.255 115.502 115.700 0.095 0.000 2.370 414 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 414 S C 2.350 176.940 174.600 -0.017 0.000 1.033 414 S CA 1.008 59.218 58.200 0.017 0.000 1.011 414 S CB -0.064 63.129 63.200 -0.012 0.000 0.852 414 S HN 0.153 nan 8.310 nan 0.000 0.457 415 R N 0.528 121.008 120.500 -0.032 0.000 2.115 415 R HA 0.087 4.427 4.340 -0.000 0.000 0.226 415 R C 2.266 178.527 176.300 -0.065 0.000 1.100 415 R CA 0.954 57.023 56.100 -0.052 0.000 0.980 415 R CB -1.230 29.031 30.300 -0.065 0.000 0.875 415 R HN 0.410 nan 8.270 nan 0.000 0.445 416 V N 1.326 121.202 119.914 -0.063 0.000 2.379 416 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 416 V C 2.044 178.084 176.094 -0.090 0.000 1.044 416 V CA 1.590 63.832 62.300 -0.097 0.000 1.036 416 V CB -0.381 31.370 31.823 -0.120 0.000 0.664 416 V HN 0.334 nan 8.190 nan 0.000 0.453 417 E N 0.168 120.322 120.200 -0.077 0.000 2.085 417 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 417 E C 1.940 178.503 176.600 -0.062 0.000 0.994 417 E CA 1.650 58.005 56.400 -0.075 0.000 0.801 417 E CB -0.217 29.446 29.700 -0.060 0.000 0.743 417 E HN 0.698 nan 8.360 nan 0.000 0.453 418 D N 0.320 120.687 120.400 -0.054 0.000 2.092 418 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 418 D C 1.930 178.199 176.300 -0.052 0.000 0.994 418 D CA 1.207 55.178 54.000 -0.048 0.000 0.828 418 D CB 0.069 40.843 40.800 -0.044 0.000 0.963 418 D HN -0.051 nan 8.370 nan 0.000 0.450 419 V N 0.390 120.264 119.914 -0.067 0.000 2.407 419 V HA -0.192 3.927 4.120 -0.000 0.000 0.248 419 V C 2.378 178.451 176.094 -0.036 0.000 1.055 419 V CA 1.292 63.548 62.300 -0.074 0.000 1.049 419 V CB -0.451 31.290 31.823 -0.137 0.000 0.662 419 V HN 0.351 nan 8.190 nan 0.000 0.455 420 L N 0.126 121.327 121.223 -0.037 0.000 2.554 420 L HA 0.266 4.606 4.340 -0.000 0.000 0.226 420 L C 1.727 178.566 176.870 -0.053 0.000 1.137 420 L CA 0.796 55.618 54.840 -0.031 0.000 0.863 420 L CB -0.586 41.438 42.059 -0.058 0.000 0.985 420 L HN 0.549 nan 8.230 nan 0.000 0.451 421 G N 0.918 109.688 108.800 -0.050 0.000 2.176 421 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.252 421 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.252 421 G C 0.105 174.968 174.900 -0.061 0.000 1.024 421 G CA -0.019 45.050 45.100 -0.051 0.000 0.755 421 G HN 0.236 nan 8.290 nan 0.000 0.507 422 L N 0.064 121.245 121.223 -0.070 0.000 2.379 422 L HA 0.463 4.803 4.340 -0.000 0.000 0.269 422 L C -1.577 175.254 176.870 -0.065 0.000 1.084 422 L CA -2.331 52.462 54.840 -0.078 0.000 0.802 422 L CB 1.040 43.041 42.059 -0.098 0.000 1.175 422 L HN -0.110 nan 8.230 nan 0.000 0.448 423 P HA -0.001 nan 4.420 nan 0.000 0.267 423 P C -0.891 176.380 177.300 -0.049 0.000 1.200 423 P CA -0.315 62.754 63.100 -0.051 0.000 0.772 423 P CB 0.341 32.010 31.700 -0.051 0.000 0.855 424 Q N 2.298 122.076 119.800 -0.036 0.000 2.337 424 Q HA 0.017 4.357 4.340 -0.000 0.000 0.270 424 Q C 0.574 176.559 176.000 -0.025 0.000 1.002 424 Q CA 0.814 56.600 55.803 -0.028 0.000 0.888 424 Q CB -0.205 28.521 28.738 -0.021 0.000 1.222 424 Q HN 0.542 nan 8.270 nan 0.000 0.400 425 N N 0.069 118.761 118.700 -0.013 0.000 2.979 425 N HA -0.190 4.550 4.740 -0.000 0.000 0.234 425 N C 0.325 175.813 175.510 -0.036 0.000 0.938 425 N CA 0.645 53.692 53.050 -0.006 0.000 0.961 425 N CB -0.796 37.688 38.487 -0.006 0.000 1.089 425 N HN 0.489 nan 8.380 nan 0.000 0.576 426 T N 0.653 115.166 114.554 -0.068 0.000 2.746 426 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 426 T C 0.870 175.470 174.700 -0.168 0.000 1.039 426 T CA 0.966 62.993 62.100 -0.121 0.000 1.142 426 T CB -0.005 68.785 68.868 -0.129 0.000 0.866 426 T HN 0.232 nan 8.240 nan 0.000 0.444 427 M N 2.573 122.087 119.600 -0.143 0.000 2.341 427 M HA 0.171 4.651 4.480 -0.000 0.000 0.336 427 M C -0.172 176.139 176.300 0.018 0.000 1.489 427 M CA -0.124 55.058 55.300 -0.197 0.000 1.278 427 M CB 0.416 32.760 32.600 -0.426 0.000 1.657 427 M HN -0.139 nan 8.290 nan 0.000 0.455 428 K N 3.175 123.555 120.400 -0.033 0.000 2.098 428 K HA 0.560 4.880 4.320 -0.000 0.000 0.257 428 K C -0.620 176.123 176.600 0.240 0.000 0.999 428 K CA -0.490 55.856 56.287 0.098 0.000 0.924 428 K CB 1.837 34.381 32.500 0.073 0.000 1.028 428 K HN 0.699 nan 8.250 nan 0.000 0.466 429 I N -0.409 120.278 120.570 0.195 0.000 2.465 429 I HA 0.363 4.532 4.170 -0.000 0.000 0.291 429 I C -0.318 175.768 176.117 -0.052 0.000 1.014 429 I CA -0.578 60.811 61.300 0.149 0.000 1.093 429 I CB 1.729 39.759 38.000 0.049 0.000 1.267 429 I HN 0.584 nan 8.210 nan 0.000 0.431 430 G N 8.403 117.061 108.800 -0.236 0.000 2.404 430 G HA2 0.448 4.408 3.960 -0.000 0.000 0.316 430 G HA3 0.448 4.408 3.960 -0.000 0.000 0.316 430 G C -0.374 174.231 174.900 -0.492 0.000 1.074 430 G CA -0.494 43.934 45.100 -1.119 0.000 0.989 430 G HN 0.593 nan 8.290 nan 0.000 0.430 431 I N 3.589 124.086 120.570 -0.121 0.000 2.379 431 I HA 0.104 4.274 4.170 -0.000 0.000 0.290 431 I C 0.207 176.522 176.117 0.331 0.000 1.063 431 I CA -0.378 61.009 61.300 0.145 0.000 1.351 431 I CB 1.131 39.235 38.000 0.173 0.000 1.410 431 I HN 0.116 nan 8.210 nan 0.000 0.505 432 M N 5.627 125.383 119.600 0.259 0.000 2.146 432 M HA 0.116 4.596 4.480 -0.000 0.000 0.352 432 M C -0.125 176.270 176.300 0.158 0.000 1.343 432 M CA -0.279 55.163 55.300 0.238 0.000 1.115 432 M CB 0.436 33.150 32.600 0.191 0.000 1.657 432 M HN 0.363 nan 8.290 nan 0.000 0.471 433 D N 3.946 124.441 120.400 0.158 0.000 2.500 433 D HA 0.162 4.802 4.640 -0.000 0.000 0.219 433 D C 0.264 176.713 176.300 0.248 0.000 1.137 433 D CA 0.022 54.132 54.000 0.184 0.000 0.946 433 D CB 0.362 41.268 40.800 0.177 0.000 1.022 433 D HN 0.733 nan 8.370 nan 0.000 0.518 434 E N 1.762 122.040 120.200 0.131 0.000 2.921 434 E HA 0.182 4.532 4.350 -0.000 0.000 0.203 434 E C -0.524 176.052 176.600 -0.039 0.000 0.975 434 E CA -0.591 55.857 56.400 0.081 0.000 1.225 434 E CB 0.506 30.242 29.700 0.060 0.000 1.048 434 E HN 0.063 nan 8.360 nan 0.000 0.477 435 E N 1.134 121.274 120.200 -0.100 0.000 2.292 435 E HA 0.238 4.588 4.350 -0.000 0.000 0.272 435 E C -0.165 176.342 176.600 -0.156 0.000 0.881 435 E CA -0.616 55.636 56.400 -0.247 0.000 0.754 435 E CB 2.309 31.597 29.700 -0.688 0.000 1.201 435 E HN 0.044 nan 8.360 nan 0.000 0.425 436 R N 1.744 122.175 120.500 -0.116 0.000 2.103 436 R HA -0.171 4.169 4.340 -0.000 0.000 0.242 436 R C 1.965 178.233 176.300 -0.054 0.000 1.142 436 R CA 1.977 58.055 56.100 -0.037 0.000 0.960 436 R CB 0.088 30.414 30.300 0.043 0.000 0.858 436 R HN 0.335 nan 8.270 nan 0.000 0.439 437 R N -0.823 119.577 120.500 -0.165 0.000 2.237 437 R HA -0.059 4.281 4.340 -0.000 0.000 0.219 437 R C 1.382 177.571 176.300 -0.186 0.000 1.080 437 R CA 1.701 57.566 56.100 -0.391 0.000 0.995 437 R CB 0.066 30.099 30.300 -0.446 0.000 0.875 437 R HN 0.198 nan 8.270 nan 0.000 0.462 438 T N -0.992 113.505 114.554 -0.094 0.000 2.976 438 T HA 0.000 4.350 4.350 -0.000 0.000 0.257 438 T C 1.487 176.227 174.700 0.068 0.000 1.051 438 T CA 1.300 63.392 62.100 -0.012 0.000 1.141 438 T CB 0.072 68.937 68.868 -0.004 0.000 0.881 438 T HN 0.269 nan 8.240 nan 0.000 0.461 439 T N 2.688 117.304 114.554 0.103 0.000 2.652 439 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 439 T C 2.136 176.951 174.700 0.192 0.000 1.039 439 T CA 1.807 64.044 62.100 0.229 0.000 1.153 439 T CB -0.558 68.470 68.868 0.266 0.000 0.863 439 T HN 0.412 nan 8.240 nan 0.000 0.428 440 V N -0.192 119.770 119.914 0.080 0.000 3.444 440 V HA 0.171 4.291 4.120 -0.000 0.000 0.271 440 V C 0.827 176.954 176.094 0.054 0.000 1.188 440 V CA 0.988 63.308 62.300 0.034 0.000 1.168 440 V CB -0.535 31.311 31.823 0.039 0.000 0.810 440 V HN 0.365 nan 8.190 nan 0.000 0.500 441 N N -0.193 118.547 118.700 0.067 0.000 2.377 441 N HA 0.235 4.975 4.740 -0.000 0.000 0.259 441 N C 0.933 176.503 175.510 0.101 0.000 1.332 441 N CA -0.058 53.029 53.050 0.060 0.000 0.877 441 N CB 1.364 39.846 38.487 -0.008 0.000 1.299 441 N HN 0.371 nan 8.380 nan 0.000 0.501 442 L N 1.876 123.199 121.223 0.167 0.000 2.013 442 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 442 L C 2.333 179.263 176.870 0.101 0.000 1.073 442 L CA 2.022 56.938 54.840 0.127 0.000 0.753 442 L CB -0.369 41.757 42.059 0.110 0.000 0.890 442 L HN 0.094 nan 8.230 nan 0.000 0.432 443 K N -0.884 119.581 120.400 0.110 0.000 2.020 443 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 443 K C 1.988 178.727 176.600 0.231 0.000 1.050 443 K CA 1.697 58.080 56.287 0.160 0.000 0.929 443 K CB -0.349 32.243 32.500 0.153 0.000 0.714 443 K HN 0.458 nan 8.250 nan 0.000 0.443 444 A N 0.682 123.588 122.820 0.143 0.000 1.940 444 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 444 A C 2.443 180.064 177.584 0.061 0.000 1.176 444 A CA 1.752 53.837 52.037 0.080 0.000 0.631 444 A CB -1.007 18.019 19.000 0.043 0.000 0.814 444 A HN 0.598 nan 8.150 nan 0.000 0.446 445 C N -0.718 118.632 119.300 0.082 0.000 2.432 445 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 445 C C 2.559 177.615 174.990 0.111 0.000 1.249 445 C CA 0.909 59.974 59.018 0.078 0.000 1.725 445 C CB -1.322 26.467 27.740 0.082 0.000 2.028 445 C HN 0.634 nan 8.230 nan 0.000 0.477 446 I N 0.747 121.429 120.570 0.187 0.000 2.179 446 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 446 I C 2.660 178.934 176.117 0.261 0.000 1.088 446 I CA 1.604 63.086 61.300 0.304 0.000 1.357 446 I CB -0.550 37.701 38.000 0.418 0.000 1.051 446 I HN 0.375 nan 8.210 nan 0.000 0.409 447 K N 1.169 121.641 120.400 0.120 0.000 2.097 447 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 447 K C 2.164 178.618 176.600 -0.243 0.000 1.049 447 K CA 1.449 57.455 56.287 -0.468 0.000 0.933 447 K CB -0.116 31.963 32.500 -0.701 0.000 0.717 447 K HN 0.311 nan 8.250 nan 0.000 0.442 448 A N 0.366 123.127 122.820 -0.100 0.000 2.019 448 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 448 A C 1.741 179.295 177.584 -0.049 0.000 1.164 448 A CA 1.774 53.769 52.037 -0.069 0.000 0.644 448 A CB -0.286 18.697 19.000 -0.029 0.000 0.805 448 A HN 0.389 nan 8.150 nan 0.000 0.449 449 A N -1.372 121.442 122.820 -0.011 0.000 2.637 449 A HA 0.653 4.973 4.320 -0.000 0.000 0.293 449 A C 1.610 179.221 177.584 0.044 0.000 1.216 449 A CA 0.803 52.845 52.037 0.008 0.000 0.956 449 A CB -0.519 18.495 19.000 0.024 0.000 1.174 449 A HN 0.872 nan 8.150 nan 0.000 0.525 450 A N 1.107 123.941 122.820 0.024 0.000 2.042 450 A HA -0.195 4.125 4.320 -0.000 0.000 0.222 450 A C 1.503 179.129 177.584 0.070 0.000 1.167 450 A CA 1.976 54.064 52.037 0.086 0.000 0.649 450 A CB -0.271 18.711 19.000 -0.029 0.000 0.809 450 A HN 0.615 nan 8.150 nan 0.000 0.457 451 D N -2.598 117.819 120.400 0.028 0.000 2.395 451 D HA 0.113 4.753 4.640 -0.000 0.000 0.213 451 D C 1.313 177.627 176.300 0.023 0.000 1.110 451 D CA 0.024 54.038 54.000 0.023 0.000 0.835 451 D CB -0.117 40.689 40.800 0.010 0.000 0.965 451 D HN 0.497 nan 8.370 nan 0.000 0.505 452 R N -0.379 120.139 120.500 0.030 0.000 2.513 452 R HA 0.204 4.543 4.340 -0.000 0.000 0.245 452 R C 0.259 176.590 176.300 0.051 0.000 0.908 452 R CA -0.212 55.914 56.100 0.044 0.000 1.023 452 R CB 1.465 31.797 30.300 0.053 0.000 1.338 452 R HN 0.021 nan 8.270 nan 0.000 0.575 453 V N 2.817 122.754 119.914 0.039 0.000 2.529 453 V HA 0.013 4.133 4.120 -0.000 0.000 0.292 453 V C 1.010 177.087 176.094 -0.029 0.000 1.028 453 V CA 0.413 62.733 62.300 0.033 0.000 1.074 453 V CB 1.418 33.305 31.823 0.106 0.000 0.958 453 V HN 0.176 nan 8.190 nan 0.000 0.481 454 V N 4.702 124.635 119.914 0.032 0.000 3.605 454 V HA 0.531 4.651 4.120 -0.000 0.000 0.284 454 V C 0.044 176.281 176.094 0.237 0.000 1.386 454 V CA 0.423 62.777 62.300 0.089 0.000 1.053 454 V CB -0.325 31.629 31.823 0.218 0.000 0.857 454 V HN 1.151 nan 8.190 nan 0.000 0.436 455 F N -0.044 120.027 119.950 0.202 0.000 2.829 455 F HA 0.761 5.288 4.527 -0.000 0.000 0.319 455 F C -1.791 174.235 175.800 0.376 0.000 1.153 455 F CA -2.431 55.757 58.000 0.313 0.000 0.912 455 F CB 0.768 39.915 39.000 0.245 0.000 1.292 455 F HN 0.071 nan 8.300 nan 0.000 0.447 456 I N 1.228 122.344 120.570 0.911 0.000 2.647 456 I HA 0.695 4.865 4.170 -0.000 0.000 0.295 456 I C -1.591 174.686 176.117 0.266 0.000 1.078 456 I CA -0.689 60.946 61.300 0.559 0.000 1.048 456 I CB 2.281 40.414 38.000 0.223 0.000 1.239 456 I HN 0.796 nan 8.210 nan 0.000 0.421 457 N N 3.240 122.022 118.700 0.137 0.000 2.369 457 N HA 0.252 4.992 4.740 -0.000 0.000 0.287 457 N C -1.056 174.375 175.510 -0.131 0.000 1.067 457 N CA -0.302 52.644 53.050 -0.173 0.000 0.888 457 N CB 2.692 40.898 38.487 -0.468 0.000 1.616 457 N HN 0.814 nan 8.380 nan 0.000 0.482 458 T N 0.205 114.638 114.554 -0.202 0.000 3.185 458 T HA 0.308 4.657 4.350 -0.000 0.000 0.287 458 T C 0.982 175.703 174.700 0.035 0.000 1.051 458 T CA -0.680 61.354 62.100 -0.110 0.000 1.051 458 T CB -0.394 68.223 68.868 -0.420 0.000 1.034 458 T HN 0.487 nan 8.240 nan 0.000 0.685 459 G N 2.979 111.806 108.800 0.045 0.000 2.778 459 G HA2 0.322 4.282 3.960 -0.000 0.000 0.287 459 G HA3 0.322 4.282 3.960 -0.000 0.000 0.287 459 G C 0.524 175.487 174.900 0.104 0.000 0.747 459 G CA -0.918 44.144 45.100 -0.064 0.000 1.961 459 G HN 0.858 nan 8.290 nan 0.000 0.539 460 F N 1.595 121.614 119.950 0.114 0.000 2.250 460 F HA -0.107 4.420 4.527 -0.000 0.000 0.301 460 F C 1.781 177.644 175.800 0.105 0.000 1.077 460 F CA 0.746 58.858 58.000 0.186 0.000 1.348 460 F CB -0.234 38.858 39.000 0.153 0.000 1.040 460 F HN 0.293 nan 8.300 nan 0.000 0.509 461 L N 0.496 121.187 121.223 -0.886 0.000 1.988 461 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 461 L C 2.507 179.242 176.870 -0.225 0.000 1.071 461 L CA 1.572 56.028 54.840 -0.641 0.000 0.744 461 L CB -0.963 40.701 42.059 -0.658 0.000 0.893 461 L HN 0.070 nan 8.230 nan 0.000 0.433 462 D N -0.155 120.156 120.400 -0.149 0.000 2.123 462 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 462 D C 2.272 178.542 176.300 -0.049 0.000 0.992 462 D CA 1.151 55.125 54.000 -0.045 0.000 0.833 462 D CB -0.012 40.799 40.800 0.020 0.000 0.954 462 D HN 0.057 nan 8.370 nan 0.000 0.455 463 R N 0.472 120.944 120.500 -0.046 0.000 2.091 463 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 463 R C 2.093 178.318 176.300 -0.125 0.000 1.136 463 R CA 1.764 57.801 56.100 -0.105 0.000 0.959 463 R CB -0.894 29.296 30.300 -0.184 0.000 0.856 463 R HN 0.033 nan 8.270 nan 0.000 0.437 464 T N -0.766 113.821 114.554 0.055 0.000 2.821 464 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 464 T C 1.664 176.326 174.700 -0.063 0.000 1.046 464 T CA 1.348 63.509 62.100 0.102 0.000 1.139 464 T CB -0.615 68.415 68.868 0.271 0.000 0.871 464 T HN 0.570 nan 8.240 nan 0.000 0.454 465 G N 1.102 109.865 108.800 -0.062 0.000 2.421 465 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 465 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 465 G C 1.350 176.197 174.900 -0.089 0.000 1.171 465 G CA 1.195 46.252 45.100 -0.071 0.000 0.775 465 G HN 0.478 nan 8.290 nan 0.000 0.543 466 D N 0.013 120.344 120.400 -0.115 0.000 2.178 466 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 466 D C 2.288 178.511 176.300 -0.129 0.000 0.974 466 D CA 1.094 55.034 54.000 -0.101 0.000 0.841 466 D CB -0.113 40.628 40.800 -0.098 0.000 0.953 466 D HN 0.331 nan 8.370 nan 0.000 0.478 467 E N 0.072 120.099 120.200 -0.289 0.000 2.051 467 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 467 E C 2.084 178.525 176.600 -0.265 0.000 0.991 467 E CA 1.107 57.235 56.400 -0.453 0.000 0.799 467 E CB -0.329 28.769 29.700 -1.002 0.000 0.748 467 E HN 0.415 nan 8.360 nan 0.000 0.449 468 I N -0.440 120.028 120.570 -0.171 0.000 2.202 468 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 468 I C 2.369 178.462 176.117 -0.039 0.000 1.091 468 I CA 1.600 62.852 61.300 -0.080 0.000 1.368 468 I CB -0.382 37.596 38.000 -0.036 0.000 1.058 468 I HN 0.253 nan 8.210 nan 0.000 0.410 469 H N 0.710 119.727 119.070 -0.087 0.000 2.353 469 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 469 H C 2.249 177.563 175.328 -0.023 0.000 1.090 469 H CA 2.158 58.170 56.048 -0.059 0.000 1.327 469 H CB -0.072 29.631 29.762 -0.097 0.000 1.383 469 H HN 0.142 nan 8.280 nan 0.000 0.508 470 T N -1.089 113.486 114.554 0.034 0.000 2.720 470 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 470 T C 1.581 176.297 174.700 0.026 0.000 1.037 470 T CA 1.656 63.788 62.100 0.055 0.000 1.144 470 T CB -0.182 68.740 68.868 0.091 0.000 0.864 470 T HN 0.226 nan 8.240 nan 0.000 0.444 471 S N 0.627 116.299 115.700 -0.046 0.000 2.574 471 S HA 0.273 4.743 4.470 -0.000 0.000 0.242 471 S C 1.408 175.906 174.600 -0.170 0.000 0.982 471 S CA -0.356 57.772 58.200 -0.119 0.000 0.977 471 S CB 0.024 63.122 63.200 -0.171 0.000 0.814 471 S HN 0.259 nan 8.310 nan 0.000 0.464 472 M N 2.579 122.109 119.600 -0.117 0.000 2.103 472 M HA -0.169 4.311 4.480 -0.000 0.000 0.255 472 M C 1.428 177.781 176.300 0.088 0.000 1.074 472 M CA 1.890 57.157 55.300 -0.055 0.000 1.090 472 M CB -0.306 32.184 32.600 -0.183 0.000 1.325 472 M HN 0.046 nan 8.290 nan 0.000 0.403 473 E N -0.402 119.814 120.200 0.026 0.000 2.502 473 E HA 0.103 4.453 4.350 -0.000 0.000 0.194 473 E C 1.899 178.492 176.600 -0.011 0.000 1.062 473 E CA 0.812 57.279 56.400 0.112 0.000 0.867 473 E CB -0.419 29.360 29.700 0.131 0.000 0.888 473 E HN 0.669 nan 8.360 nan 0.000 0.510 474 A N 1.059 123.645 122.820 -0.389 0.000 2.014 474 A HA 0.242 4.562 4.320 -0.000 0.000 0.218 474 A C 1.259 178.632 177.584 -0.351 0.000 1.163 474 A CA 1.385 53.095 52.037 -0.545 0.000 0.652 474 A CB 0.043 18.581 19.000 -0.771 0.000 0.808 474 A HN 0.314 nan 8.150 nan 0.000 0.449 475 G N -2.774 105.693 108.800 -0.556 0.000 2.369 475 G HA2 0.339 4.299 3.960 -0.000 0.000 0.293 475 G HA3 0.339 4.299 3.960 -0.000 0.000 0.293 475 G C -3.577 170.829 174.900 -0.824 0.000 1.301 475 G CA -0.622 43.941 45.100 -0.894 0.000 0.913 475 G HN -0.037 nan 8.290 nan 0.000 0.540 476 P HA 0.378 nan 4.420 nan 0.000 0.268 476 P C 0.105 177.489 177.300 0.139 0.000 1.204 476 P CA -0.051 63.022 63.100 -0.045 0.000 0.768 476 P CB 0.484 32.181 31.700 -0.006 0.000 0.842 477 M N 2.322 122.139 119.600 0.363 0.000 2.368 477 M HA 0.243 4.723 4.480 -0.000 0.000 0.311 477 M C 0.442 177.128 176.300 0.644 0.000 1.168 477 M CA -0.959 54.556 55.300 0.359 0.000 1.044 477 M CB 0.712 33.455 32.600 0.239 0.000 1.506 477 M HN 0.120 nan 8.290 nan 0.000 0.475 478 V N 0.224 120.433 119.914 0.492 0.000 3.185 478 V HA 0.334 4.454 4.120 -0.000 0.000 0.305 478 V C 0.589 176.974 176.094 0.485 0.000 1.090 478 V CA -0.874 61.797 62.300 0.619 0.000 1.107 478 V CB -0.165 31.887 31.823 0.381 0.000 1.061 478 V HN 0.779 nan 8.190 nan 0.000 0.480 479 R N 1.013 121.784 120.500 0.452 0.000 2.758 479 R HA 0.042 4.382 4.340 -0.000 0.000 0.263 479 R C 1.497 177.817 176.300 0.035 0.000 1.010 479 R CA 0.374 56.529 56.100 0.092 0.000 1.114 479 R CB 0.217 30.560 30.300 0.072 0.000 0.985 479 R HN 0.890 nan 8.270 nan 0.000 0.439 480 K N 1.805 122.142 120.400 -0.104 0.000 2.044 480 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 480 K C 1.951 178.560 176.600 0.015 0.000 1.049 480 K CA 2.050 58.304 56.287 -0.054 0.000 0.927 480 K CB -0.458 31.969 32.500 -0.121 0.000 0.713 480 K HN 0.804 nan 8.250 nan 0.000 0.443 481 G N -0.469 108.334 108.800 0.006 0.000 2.432 481 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 481 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 481 G C 1.324 176.247 174.900 0.038 0.000 1.135 481 G CA 1.297 46.408 45.100 0.019 0.000 0.767 481 G HN 0.383 nan 8.290 nan 0.000 0.550 482 T N 1.658 116.257 114.554 0.076 0.000 2.915 482 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 482 T C 2.471 177.219 174.700 0.080 0.000 1.071 482 T CA 0.780 62.936 62.100 0.094 0.000 1.132 482 T CB -0.139 68.831 68.868 0.170 0.000 0.878 482 T HN 0.066 nan 8.240 nan 0.000 0.479 483 M N 1.354 121.021 119.600 0.112 0.000 2.149 483 M HA -0.060 4.420 4.480 -0.000 0.000 0.261 483 M C 2.038 178.320 176.300 -0.032 0.000 1.064 483 M CA 1.450 56.837 55.300 0.145 0.000 1.102 483 M CB -0.860 31.897 32.600 0.261 0.000 1.369 483 M HN 0.251 nan 8.290 nan 0.000 0.408 484 K N 0.192 120.573 120.400 -0.032 0.000 2.360 484 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 484 K C 1.531 178.018 176.600 -0.189 0.000 1.046 484 K CA 1.607 57.817 56.287 -0.128 0.000 0.940 484 K CB -0.150 32.280 32.500 -0.116 0.000 0.748 484 K HN 0.432 nan 8.250 nan 0.000 0.465 485 S N -0.582 115.031 115.700 -0.146 0.000 2.701 485 S HA 0.142 4.612 4.470 -0.000 0.000 0.242 485 S C 0.271 174.781 174.600 -0.149 0.000 1.025 485 S CA -0.660 57.457 58.200 -0.139 0.000 1.016 485 S CB 0.400 63.554 63.200 -0.077 0.000 0.977 485 S HN 0.008 nan 8.310 nan 0.000 0.546 486 Q N 1.944 121.617 119.800 -0.212 0.000 2.421 486 Q HA 0.251 4.591 4.340 -0.000 0.000 0.255 486 Q C -1.757 174.095 176.000 -0.246 0.000 1.013 486 Q CA -1.529 54.169 55.803 -0.176 0.000 0.895 486 Q CB 0.468 29.145 28.738 -0.102 0.000 1.271 486 Q HN 0.085 nan 8.270 nan 0.000 0.460 487 P HA -0.211 nan 4.420 nan 0.000 0.216 487 P C 1.280 178.588 177.300 0.014 0.000 1.153 487 P CA 1.638 64.728 63.100 -0.016 0.000 0.858 487 P CB -0.243 31.490 31.700 0.056 0.000 0.789 488 W N -0.199 121.127 121.300 0.043 0.000 2.358 488 W HA -0.109 4.551 4.660 -0.000 0.000 0.303 488 W C 1.740 178.315 176.519 0.093 0.000 1.208 488 W CA 0.671 58.047 57.345 0.052 0.000 1.274 488 W CB -1.612 27.865 29.460 0.028 0.000 1.138 488 W HN -0.071 nan 8.180 nan 0.000 0.515 489 I N 1.243 121.232 120.570 -0.968 0.000 2.439 489 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 489 I C 2.562 178.559 176.117 -0.200 0.000 1.139 489 I CA 0.983 61.755 61.300 -0.880 0.000 1.438 489 I CB -0.160 36.938 38.000 -1.503 0.000 1.085 489 I HN -0.090 nan 8.210 nan 0.000 0.427 490 L N 0.364 121.460 121.223 -0.211 0.000 2.109 490 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 490 L C 2.770 179.630 176.870 -0.016 0.000 1.086 490 L CA 1.087 55.863 54.840 -0.106 0.000 0.760 490 L CB -0.843 41.153 42.059 -0.106 0.000 0.910 490 L HN 0.233 nan 8.230 nan 0.000 0.437 491 A N -0.226 122.618 122.820 0.041 0.000 1.898 491 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 491 A C 2.228 179.917 177.584 0.174 0.000 1.181 491 A CA 1.464 53.558 52.037 0.096 0.000 0.620 491 A CB -0.868 18.201 19.000 0.113 0.000 0.819 491 A HN 0.495 nan 8.150 nan 0.000 0.442 492 Y N 0.953 121.308 120.300 0.091 0.000 2.165 492 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 492 Y C 2.189 178.149 175.900 0.100 0.000 1.155 492 Y CA 2.162 60.354 58.100 0.153 0.000 1.164 492 Y CB -0.198 38.407 38.460 0.242 0.000 0.978 492 Y HN 0.334 nan 8.280 nan 0.000 0.513 493 E N 0.403 120.505 120.200 -0.163 0.000 2.051 493 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 493 E C 1.796 178.285 176.600 -0.185 0.000 0.991 493 E CA 1.550 57.765 56.400 -0.307 0.000 0.799 493 E CB -0.344 29.239 29.700 -0.195 0.000 0.748 493 E HN 0.634 nan 8.360 nan 0.000 0.449 494 D N -0.344 120.009 120.400 -0.079 0.000 2.149 494 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 494 D C 1.950 178.233 176.300 -0.028 0.000 0.972 494 D CA 0.986 54.954 54.000 -0.053 0.000 0.835 494 D CB -0.494 40.295 40.800 -0.018 0.000 0.966 494 D HN 0.290 nan 8.370 nan 0.000 0.476 495 H N 1.171 120.200 119.070 -0.068 0.000 2.387 495 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 495 H C 1.742 177.014 175.328 -0.093 0.000 1.090 495 H CA 1.774 57.794 56.048 -0.047 0.000 1.332 495 H CB -0.099 29.675 29.762 0.020 0.000 1.386 495 H HN 0.004 nan 8.280 nan 0.000 0.516 496 N N 0.126 118.707 118.700 -0.200 0.000 2.084 496 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 496 N C 1.907 177.234 175.510 -0.306 0.000 1.030 496 N CA 1.672 54.549 53.050 -0.289 0.000 0.849 496 N CB -0.157 38.151 38.487 -0.298 0.000 1.012 496 N HN 0.310 nan 8.380 nan 0.000 0.423 497 V N 1.858 121.629 119.914 -0.238 0.000 2.295 497 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 497 V C 1.932 177.894 176.094 -0.220 0.000 1.049 497 V CA 1.885 64.062 62.300 -0.205 0.000 1.024 497 V CB -0.666 31.071 31.823 -0.143 0.000 0.648 497 V HN 0.266 nan 8.190 nan 0.000 0.447 498 D N 0.607 120.886 120.400 -0.202 0.000 2.104 498 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 498 D C 2.221 178.371 176.300 -0.249 0.000 0.994 498 D CA 1.845 55.736 54.000 -0.182 0.000 0.830 498 D CB -0.432 40.294 40.800 -0.123 0.000 0.959 498 D HN 0.453 nan 8.370 nan 0.000 0.452 499 A N 0.732 123.334 122.820 -0.363 0.000 1.902 499 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 499 A C 2.388 179.706 177.584 -0.444 0.000 1.181 499 A CA 2.130 53.940 52.037 -0.378 0.000 0.623 499 A CB -1.062 17.669 19.000 -0.449 0.000 0.818 499 A HN 0.310 nan 8.150 nan 0.000 0.443 500 G N -0.121 108.326 108.800 -0.589 0.000 2.421 500 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 500 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 500 G C 1.548 176.145 174.900 -0.505 0.000 1.171 500 G CA 1.019 45.493 45.100 -1.043 0.000 0.775 500 G HN 0.421 nan 8.290 nan 0.000 0.543 501 L N 0.665 121.730 121.223 -0.264 0.000 2.093 501 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 501 L C 3.375 180.185 176.870 -0.101 0.000 1.085 501 L CA 0.980 55.758 54.840 -0.104 0.000 0.755 501 L CB -0.469 41.537 42.059 -0.088 0.000 0.904 501 L HN 0.315 nan 8.230 nan 0.000 0.435 502 A N 0.111 122.833 122.820 -0.163 0.000 2.019 502 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 502 A C 2.307 179.763 177.584 -0.213 0.000 1.164 502 A CA 1.483 53.423 52.037 -0.161 0.000 0.644 502 A CB -0.460 18.437 19.000 -0.172 0.000 0.805 502 A HN 0.390 nan 8.150 nan 0.000 0.449 503 A N -1.660 121.016 122.820 -0.240 0.000 2.238 503 A HA 0.425 4.745 4.320 -0.000 0.000 0.208 503 A C 1.639 179.233 177.584 0.016 0.000 1.177 503 A CA 1.060 52.930 52.037 -0.277 0.000 0.804 503 A CB -0.942 17.943 19.000 -0.191 0.000 0.823 503 A HN 1.850 nan 8.150 nan 0.000 0.482 504 G N -1.827 107.009 108.800 0.061 0.000 2.149 504 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.235 504 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.235 504 G C 0.422 175.446 174.900 0.207 0.000 1.018 504 G CA 0.358 45.519 45.100 0.101 0.000 0.728 504 G HN 0.293 nan 8.290 nan 0.000 0.508 505 F N 1.464 121.400 119.950 -0.023 0.000 2.171 505 F HA 0.103 4.629 4.527 -0.000 0.000 0.300 505 F C 2.159 177.970 175.800 0.019 0.000 1.090 505 F CA 1.257 59.266 58.000 0.015 0.000 1.293 505 F CB -0.451 38.562 39.000 0.021 0.000 1.013 505 F HN 0.264 nan 8.300 nan 0.000 0.486 506 S N -0.282 115.532 115.700 0.188 0.000 2.571 506 S HA 0.329 4.798 4.470 -0.000 0.000 0.297 506 S C 1.114 175.751 174.600 0.062 0.000 1.234 506 S CA 0.745 59.005 58.200 0.100 0.000 1.120 506 S CB -0.474 62.761 63.200 0.058 0.000 0.923 506 S HN 0.797 nan 8.310 nan 0.000 0.504 507 G N 5.057 113.886 108.800 0.048 0.000 2.195 507 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 507 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 507 G C 0.806 175.716 174.900 0.017 0.000 0.984 507 G CA 0.464 45.581 45.100 0.027 0.000 0.633 507 G HN 0.665 nan 8.290 nan 0.000 0.525 508 R N -0.399 120.105 120.500 0.007 0.000 2.444 508 R HA 0.645 4.985 4.340 -0.000 0.000 0.201 508 R C 0.775 177.022 176.300 -0.087 0.000 0.861 508 R CA 0.866 56.944 56.100 -0.038 0.000 1.034 508 R CB 0.870 31.133 30.300 -0.062 0.000 1.347 508 R HN 0.907 nan 8.270 nan 0.000 0.659 509 A N 0.971 123.720 122.820 -0.118 0.000 2.606 509 A HA 0.432 4.752 4.320 -0.000 0.000 0.293 509 A C -1.446 176.208 177.584 0.117 0.000 1.082 509 A CA -0.733 51.222 52.037 -0.137 0.000 0.685 509 A CB 1.481 20.078 19.000 -0.672 0.000 1.284 509 A HN 0.039 nan 8.150 nan 0.000 0.408 510 Q N 0.082 120.031 119.800 0.248 0.000 2.340 510 Q HA 0.482 4.822 4.340 -0.000 0.000 0.249 510 Q C -0.864 175.364 176.000 0.380 0.000 0.957 510 Q CA -0.300 55.673 55.803 0.283 0.000 0.882 510 Q CB 1.620 30.501 28.738 0.237 0.000 1.235 510 Q HN 0.415 nan 8.270 nan 0.000 0.439 511 V N 2.138 122.185 119.914 0.221 0.000 2.304 511 V HA 0.508 4.628 4.120 -0.000 0.000 0.278 511 V C 0.222 176.317 176.094 0.002 0.000 1.018 511 V CA -0.509 61.860 62.300 0.116 0.000 0.814 511 V CB 1.162 33.015 31.823 0.050 0.000 1.021 511 V HN 0.855 nan 8.190 nan 0.000 0.440 512 G N 4.117 112.856 108.800 -0.102 0.000 2.489 512 G HA2 0.746 4.706 3.960 -0.000 0.000 0.327 512 G HA3 0.746 4.706 3.960 -0.000 0.000 0.327 512 G C -0.876 173.892 174.900 -0.220 0.000 1.189 512 G CA -0.647 44.344 45.100 -0.181 0.000 0.962 512 G HN 0.534 nan 8.290 nan 0.000 0.486 513 K N -0.610 119.678 120.400 -0.187 0.000 2.378 513 K HA 0.606 4.926 4.320 -0.000 0.000 0.244 513 K C 0.563 177.013 176.600 -0.250 0.000 1.039 513 K CA -0.764 55.405 56.287 -0.197 0.000 0.863 513 K CB 2.017 34.447 32.500 -0.115 0.000 1.326 513 K HN 0.618 nan 8.250 nan 0.000 0.460 514 G N 0.509 109.230 108.800 -0.131 0.000 2.712 514 G HA2 0.168 4.128 3.960 -0.000 0.000 0.258 514 G HA3 0.168 4.128 3.960 -0.000 0.000 0.258 514 G C -0.256 174.748 174.900 0.173 0.000 1.241 514 G CA -0.266 44.843 45.100 0.015 0.000 0.923 514 G HN 0.454 nan 8.290 nan 0.000 0.548 515 M N 0.240 120.062 119.600 0.370 0.000 2.255 515 M HA 0.363 4.843 4.480 -0.000 0.000 0.336 515 M C -0.557 175.981 176.300 0.397 0.000 1.135 515 M CA -0.966 54.591 55.300 0.428 0.000 1.145 515 M CB 0.921 33.778 32.600 0.428 0.000 1.473 515 M HN 0.568 nan 8.290 nan 0.000 0.462 516 W N 6.053 127.439 121.300 0.143 0.000 2.291 516 W HA 0.282 4.942 4.660 -0.000 0.000 0.312 516 W C -0.023 176.555 176.519 0.099 0.000 1.061 516 W CA -0.077 57.317 57.345 0.082 0.000 1.296 516 W CB 1.269 30.736 29.460 0.011 0.000 1.223 516 W HN 0.911 nan 8.180 nan 0.000 0.421 517 T N 1.796 116.251 114.554 -0.165 0.000 3.100 517 T HA 0.108 4.458 4.350 -0.000 0.000 0.253 517 T C 0.890 175.520 174.700 -0.117 0.000 1.118 517 T CA 0.205 62.259 62.100 -0.077 0.000 1.058 517 T CB 0.007 68.841 68.868 -0.056 0.000 0.953 517 T HN 0.440 nan 8.240 nan 0.000 0.515 518 M N 3.777 123.180 119.600 -0.329 0.000 3.213 518 M HA 0.215 4.695 4.480 -0.000 0.000 0.275 518 M C 1.714 178.151 176.300 0.229 0.000 1.424 518 M CA -0.312 54.938 55.300 -0.083 0.000 1.561 518 M CB 0.368 32.866 32.600 -0.171 0.000 1.109 518 M HN 0.344 nan 8.290 nan 0.000 0.552 519 T N -2.000 112.654 114.554 0.166 0.000 2.802 519 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 519 T C 1.219 176.009 174.700 0.151 0.000 1.062 519 T CA 1.423 63.627 62.100 0.173 0.000 1.133 519 T CB -0.062 68.860 68.868 0.089 0.000 0.852 519 T HN 0.491 nan 8.240 nan 0.000 0.485 520 E N 0.787 121.069 120.200 0.137 0.000 2.460 520 E HA 0.272 4.622 4.350 -0.000 0.000 0.200 520 E C 0.853 177.526 176.600 0.121 0.000 1.011 520 E CA 0.024 56.484 56.400 0.100 0.000 0.912 520 E CB 0.070 29.811 29.700 0.068 0.000 0.953 520 E HN 0.556 nan 8.360 nan 0.000 0.494 521 L N 1.950 123.302 121.223 0.215 0.000 2.423 521 L HA 0.199 4.539 4.340 -0.000 0.000 0.249 521 L C 1.291 178.280 176.870 0.198 0.000 1.276 521 L CA -0.259 54.722 54.840 0.235 0.000 1.199 521 L CB -0.143 42.115 42.059 0.333 0.000 1.407 521 L HN -0.127 nan 8.230 nan 0.000 0.410 522 M N 0.171 119.801 119.600 0.049 0.000 2.349 522 M HA -0.042 4.438 4.480 -0.000 0.000 0.266 522 M C 2.390 178.621 176.300 -0.115 0.000 1.076 522 M CA 1.009 56.261 55.300 -0.080 0.000 1.126 522 M CB -0.699 31.859 32.600 -0.071 0.000 1.392 522 M HN 0.600 nan 8.290 nan 0.000 0.440 523 A N 0.575 123.367 122.820 -0.047 0.000 1.898 523 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 523 A C 1.918 179.482 177.584 -0.034 0.000 1.181 523 A CA 1.700 53.717 52.037 -0.034 0.000 0.620 523 A CB -0.611 18.386 19.000 -0.005 0.000 0.819 523 A HN 0.394 nan 8.150 nan 0.000 0.442 524 D N -0.715 119.690 120.400 0.008 0.000 2.117 524 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 524 D C 1.932 178.085 176.300 -0.245 0.000 0.982 524 D CA 1.493 55.523 54.000 0.049 0.000 0.828 524 D CB -0.293 40.687 40.800 0.300 0.000 0.967 524 D HN 0.528 nan 8.370 nan 0.000 0.464 525 M N 0.740 119.929 119.600 -0.685 0.000 2.117 525 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 525 M C 2.050 178.052 176.300 -0.496 0.000 1.065 525 M CA 1.216 55.653 55.300 -1.439 0.000 1.114 525 M CB 0.064 31.674 32.600 -1.650 0.000 1.361 525 M HN -0.173 nan 8.290 nan 0.000 0.408 526 V N 0.979 120.762 119.914 -0.218 0.000 2.407 526 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 526 V C 1.958 178.170 176.094 0.196 0.000 1.055 526 V CA 2.116 64.469 62.300 0.088 0.000 1.049 526 V CB -0.835 30.997 31.823 0.015 0.000 0.662 526 V HN 0.557 nan 8.190 nan 0.000 0.455 527 E N 0.135 120.345 120.200 0.016 0.000 2.158 527 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 527 E C 2.220 178.785 176.600 -0.058 0.000 0.982 527 E CA 1.657 58.061 56.400 0.005 0.000 0.823 527 E CB -0.131 29.575 29.700 0.011 0.000 0.766 527 E HN 0.788 nan 8.360 nan 0.000 0.468 528 T N -1.650 112.845 114.554 -0.098 0.000 2.978 528 T HA 0.113 4.463 4.350 -0.000 0.000 0.248 528 T C 1.709 176.321 174.700 -0.147 0.000 1.018 528 T CA -0.079 61.971 62.100 -0.083 0.000 1.026 528 T CB 0.089 68.994 68.868 0.062 0.000 1.032 528 T HN -0.119 nan 8.240 nan 0.000 0.485 529 K N 0.832 121.095 120.400 -0.227 0.000 2.515 529 K HA 0.225 4.545 4.320 -0.000 0.000 0.196 529 K C 1.876 178.264 176.600 -0.352 0.000 1.038 529 K CA 0.394 56.573 56.287 -0.181 0.000 0.967 529 K CB -0.402 32.011 32.500 -0.146 0.000 0.780 529 K HN 0.502 nan 8.250 nan 0.000 0.483 530 I N 0.110 120.227 120.570 -0.754 0.000 2.756 530 I HA -0.195 3.975 4.170 -0.000 0.000 0.262 530 I C 1.793 177.711 176.117 -0.331 0.000 1.225 530 I CA 0.779 61.617 61.300 -0.771 0.000 1.472 530 I CB -0.070 37.531 38.000 -0.666 0.000 1.094 530 I HN 0.196 nan 8.210 nan 0.000 0.454 531 A N 0.232 122.914 122.820 -0.230 0.000 1.978 531 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 531 A C 2.157 179.664 177.584 -0.127 0.000 1.170 531 A CA 1.668 53.616 52.037 -0.148 0.000 0.636 531 A CB -0.470 18.462 19.000 -0.113 0.000 0.810 531 A HN 0.608 nan 8.150 nan 0.000 0.448 532 Q N -0.570 119.163 119.800 -0.112 0.000 1.990 532 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 532 Q C -0.506 175.442 176.000 -0.087 0.000 0.980 532 Q CA 1.606 57.366 55.803 -0.072 0.000 0.832 532 Q CB -0.964 27.773 28.738 -0.001 0.000 0.897 532 Q HN 0.539 nan 8.270 nan 0.000 0.427 533 P HA -0.146 nan 4.420 nan 0.000 0.220 533 P C 0.666 177.881 177.300 -0.142 0.000 1.148 533 P CA 1.257 64.236 63.100 -0.202 0.000 0.803 533 P CB -0.060 31.329 31.700 -0.517 0.000 0.782 534 R N -0.056 120.358 120.500 -0.143 0.000 2.189 534 R HA 0.039 4.379 4.340 -0.000 0.000 0.223 534 R C 2.008 178.255 176.300 -0.088 0.000 1.092 534 R CA 1.116 57.151 56.100 -0.108 0.000 0.989 534 R CB -0.515 29.720 30.300 -0.109 0.000 0.876 534 R HN 0.127 nan 8.270 nan 0.000 0.457 535 A N -0.100 122.666 122.820 -0.089 0.000 2.337 535 A HA 0.271 4.591 4.320 -0.000 0.000 0.227 535 A C 1.157 178.698 177.584 -0.072 0.000 1.259 535 A CA 0.555 52.544 52.037 -0.081 0.000 0.870 535 A CB 0.042 18.988 19.000 -0.091 0.000 0.927 535 A HN 0.390 nan 8.150 nan 0.000 0.497 536 G N -1.774 106.988 108.800 -0.062 0.000 2.136 536 G HA2 0.090 4.050 3.960 -0.000 0.000 0.242 536 G HA3 0.090 4.050 3.960 -0.000 0.000 0.242 536 G C 0.308 175.194 174.900 -0.022 0.000 0.989 536 G CA 0.223 45.297 45.100 -0.044 0.000 0.682 536 G HN 1.613 nan 8.290 nan 0.000 0.522 537 A N 0.534 123.347 122.820 -0.013 0.000 2.309 537 A HA 0.734 5.054 4.320 -0.000 0.000 0.290 537 A C 1.466 179.120 177.584 0.118 0.000 1.206 537 A CA 0.911 52.965 52.037 0.027 0.000 0.850 537 A CB 0.544 19.554 19.000 0.017 0.000 1.118 537 A HN 1.557 nan 8.150 nan 0.000 0.523 538 S N 1.448 117.220 115.700 0.120 0.000 2.561 538 S HA 0.181 4.651 4.470 -0.000 0.000 0.225 538 S C 0.684 175.388 174.600 0.173 0.000 0.977 538 S CA 0.799 59.093 58.200 0.158 0.000 0.926 538 S CB -0.224 63.036 63.200 0.100 0.000 0.769 538 S HN 1.017 nan 8.310 nan 0.000 0.533 539 T N -0.310 114.356 114.554 0.186 0.000 2.786 539 T HA 0.627 4.977 4.350 -0.000 0.000 0.316 539 T C -2.081 172.762 174.700 0.239 0.000 1.503 539 T CA 0.044 62.246 62.100 0.170 0.000 1.019 539 T CB 1.396 70.282 68.868 0.030 0.000 1.415 539 T HN 0.674 nan 8.240 nan 0.000 0.496 540 A N 1.327 124.361 122.820 0.357 0.000 2.612 540 A HA 0.687 5.007 4.320 -0.000 0.000 0.293 540 A C -2.101 175.744 177.584 0.435 0.000 1.075 540 A CA -0.786 51.443 52.037 0.321 0.000 0.680 540 A CB 0.914 20.116 19.000 0.336 0.000 1.279 540 A HN 0.630 nan 8.150 nan 0.000 0.411 541 W N 1.234 122.560 121.300 0.044 0.000 2.272 541 W HA 0.491 5.151 4.660 -0.000 0.000 0.318 541 W C 0.191 176.742 176.519 0.052 0.000 1.255 541 W CA -0.485 56.885 57.345 0.041 0.000 1.200 541 W CB 1.066 30.552 29.460 0.044 0.000 1.170 541 W HN 0.745 nan 8.180 nan 0.000 0.549 542 V N 2.175 122.226 119.914 0.229 0.000 2.769 542 V HA 0.570 4.690 4.120 -0.000 0.000 0.312 542 V C -1.878 174.279 176.094 0.105 0.000 1.061 542 V CA -2.305 60.085 62.300 0.149 0.000 0.931 542 V CB 2.520 34.407 31.823 0.107 0.000 1.010 542 V HN 0.397 nan 8.190 nan 0.000 0.433 543 P HA 0.111 nan 4.420 nan 0.000 0.240 543 P C 0.349 177.645 177.300 -0.007 0.000 1.190 543 P CA 0.864 64.003 63.100 0.065 0.000 0.781 543 P CB 0.569 32.335 31.700 0.110 0.000 0.931 544 S N -2.935 112.760 115.700 -0.008 0.000 2.611 544 S HA 0.451 4.921 4.470 -0.000 0.000 0.268 544 S C -2.701 171.880 174.600 -0.031 0.000 1.156 544 S CA -1.228 56.941 58.200 -0.052 0.000 0.817 544 S CB 1.403 64.565 63.200 -0.063 0.000 1.122 544 S HN -0.338 nan 8.310 nan 0.000 0.466 545 P HA -0.013 nan 4.420 nan 0.000 0.216 545 P C 1.377 178.670 177.300 -0.012 0.000 1.153 545 P CA 1.719 64.808 63.100 -0.018 0.000 0.848 545 P CB -0.251 31.441 31.700 -0.013 0.000 0.787 546 T N -0.455 114.089 114.554 -0.016 0.000 2.708 546 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 546 T C 1.901 176.587 174.700 -0.022 0.000 1.037 546 T CA 1.738 63.829 62.100 -0.016 0.000 1.146 546 T CB -1.018 67.841 68.868 -0.015 0.000 0.865 546 T HN 0.041 nan 8.240 nan 0.000 0.435 547 A N 1.276 124.089 122.820 -0.013 0.000 1.972 547 A HA 0.169 4.489 4.320 -0.000 0.000 0.219 547 A C 2.594 180.190 177.584 0.020 0.000 1.169 547 A CA 1.770 53.800 52.037 -0.012 0.000 0.635 547 A CB -0.958 18.053 19.000 0.019 0.000 0.810 547 A HN 0.511 nan 8.150 nan 0.000 0.446 548 A N -1.010 121.826 122.820 0.025 0.000 1.898 548 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 548 A C 2.291 179.883 177.584 0.014 0.000 1.181 548 A CA 2.179 54.243 52.037 0.044 0.000 0.620 548 A CB -1.159 17.846 19.000 0.007 0.000 0.819 548 A HN 0.411 nan 8.150 nan 0.000 0.442 549 T N 0.443 114.987 114.554 -0.016 0.000 2.821 549 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 549 T C 1.768 176.425 174.700 -0.072 0.000 1.046 549 T CA 1.383 63.459 62.100 -0.040 0.000 1.139 549 T CB -0.307 68.541 68.868 -0.033 0.000 0.871 549 T HN 0.357 nan 8.240 nan 0.000 0.454 550 L N -0.039 121.136 121.223 -0.079 0.000 2.109 550 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 550 L C 2.585 179.338 176.870 -0.195 0.000 1.086 550 L CA 1.168 55.923 54.840 -0.141 0.000 0.760 550 L CB -0.499 41.472 42.059 -0.146 0.000 0.910 550 L HN 0.279 nan 8.230 nan 0.000 0.437 551 H N 0.489 119.427 119.070 -0.221 0.000 2.462 551 H HA -0.027 4.529 4.556 -0.000 0.000 0.292 551 H C 2.060 177.369 175.328 -0.031 0.000 1.049 551 H CA 0.899 56.813 56.048 -0.223 0.000 1.334 551 H CB 0.144 29.923 29.762 0.027 0.000 1.404 551 H HN 0.236 nan 8.280 nan 0.000 0.544 552 A N 0.845 123.647 122.820 -0.031 0.000 1.940 552 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 552 A C 2.538 180.208 177.584 0.143 0.000 1.176 552 A CA 1.505 53.559 52.037 0.029 0.000 0.631 552 A CB -0.973 18.029 19.000 0.003 0.000 0.814 552 A HN 0.495 nan 8.150 nan 0.000 0.446 553 L N -1.386 119.849 121.223 0.020 0.000 2.043 553 L HA -0.309 4.031 4.340 -0.000 0.000 0.212 553 L C 2.506 179.501 176.870 0.209 0.000 1.075 553 L CA 2.042 56.956 54.840 0.123 0.000 0.752 553 L CB -0.944 41.077 42.059 -0.063 0.000 0.891 553 L HN 0.579 nan 8.230 nan 0.000 0.432 554 H N -1.978 117.129 119.070 0.061 0.000 2.387 554 H HA -0.204 4.352 4.556 -0.000 0.000 0.299 554 H C 1.944 177.153 175.328 -0.198 0.000 1.099 554 H CA 1.519 57.505 56.048 -0.104 0.000 1.315 554 H CB -0.086 29.527 29.762 -0.249 0.000 1.380 554 H HN 0.319 nan 8.280 nan 0.000 0.513 555 Y N -0.601 119.706 120.300 0.012 0.000 2.561 555 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 555 Y C 2.148 178.050 175.900 0.003 0.000 1.141 555 Y CA 0.562 58.635 58.100 -0.045 0.000 1.303 555 Y CB 0.048 38.397 38.460 -0.185 0.000 1.015 555 Y HN 0.404 nan 8.280 nan 0.000 0.547 556 H N -0.724 118.483 119.070 0.229 0.000 2.497 556 H HA 0.033 4.589 4.556 -0.000 0.000 0.282 556 H C 1.442 176.777 175.328 0.012 0.000 1.003 556 H CA 1.025 57.105 56.048 0.052 0.000 1.307 556 H CB 0.319 30.172 29.762 0.152 0.000 1.437 556 H HN 0.512 nan 8.280 nan 0.000 0.544 557 Q N 0.400 120.331 119.800 0.218 0.000 2.250 557 Q HA 0.087 4.427 4.340 -0.000 0.000 0.200 557 Q C 0.230 176.322 176.000 0.153 0.000 0.941 557 Q CA 0.381 56.275 55.803 0.152 0.000 0.872 557 Q CB 0.965 29.784 28.738 0.135 0.000 0.965 557 Q HN 0.017 nan 8.270 nan 0.000 0.480 558 V N 1.861 121.854 119.914 0.132 0.000 2.417 558 V HA 0.121 4.241 4.120 -0.000 0.000 0.291 558 V C -0.513 175.595 176.094 0.022 0.000 1.024 558 V CA -0.811 61.516 62.300 0.045 0.000 0.861 558 V CB 1.707 33.482 31.823 -0.080 0.000 0.985 558 V HN 0.057 nan 8.190 nan 0.000 0.436 559 D N 4.055 124.378 120.400 -0.127 0.000 2.517 559 D HA 0.158 4.797 4.640 -0.000 0.000 0.220 559 D C 1.106 177.280 176.300 -0.211 0.000 1.158 559 D CA 0.014 53.753 54.000 -0.435 0.000 0.992 559 D CB 1.268 41.810 40.800 -0.429 0.000 1.058 559 D HN 0.278 nan 8.370 nan 0.000 0.516 560 V N 3.492 123.329 119.914 -0.127 0.000 2.317 560 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 560 V C 2.584 178.644 176.094 -0.056 0.000 1.065 560 V CA 2.235 64.503 62.300 -0.054 0.000 1.049 560 V CB -0.741 31.105 31.823 0.038 0.000 0.651 560 V HN 0.620 nan 8.190 nan 0.000 0.450 561 A N -0.191 122.584 122.820 -0.076 0.000 1.940 561 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 561 A C 2.396 179.944 177.584 -0.060 0.000 1.176 561 A CA 2.299 54.302 52.037 -0.056 0.000 0.631 561 A CB -0.704 18.258 19.000 -0.064 0.000 0.814 561 A HN 0.618 nan 8.150 nan 0.000 0.446 562 A N -0.839 121.927 122.820 -0.089 0.000 1.929 562 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 562 A C 2.194 179.745 177.584 -0.056 0.000 1.176 562 A CA 1.463 53.457 52.037 -0.071 0.000 0.628 562 A CB -0.761 18.188 19.000 -0.085 0.000 0.816 562 A HN 0.352 nan 8.150 nan 0.000 0.444 563 V N 0.294 120.171 119.914 -0.062 0.000 2.343 563 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 563 V C 2.629 178.698 176.094 -0.043 0.000 1.051 563 V CA 2.274 64.542 62.300 -0.052 0.000 1.036 563 V CB -0.910 30.878 31.823 -0.058 0.000 0.654 563 V HN 0.644 nan 8.190 nan 0.000 0.451 564 Q N -0.647 119.131 119.800 -0.036 0.000 2.119 564 Q HA -0.244 4.096 4.340 -0.000 0.000 0.201 564 Q C 2.344 178.328 176.000 -0.026 0.000 0.972 564 Q CA 1.490 57.276 55.803 -0.027 0.000 0.847 564 Q CB -0.203 28.529 28.738 -0.010 0.000 0.903 564 Q HN 0.684 nan 8.270 nan 0.000 0.433 565 Q N -0.199 119.585 119.800 -0.026 0.000 2.124 565 Q HA -0.122 4.217 4.340 -0.000 0.000 0.202 565 Q C 2.108 178.093 176.000 -0.025 0.000 0.977 565 Q CA 1.265 57.054 55.803 -0.023 0.000 0.850 565 Q CB -0.204 28.520 28.738 -0.023 0.000 0.901 565 Q HN 0.485 nan 8.270 nan 0.000 0.429 566 G N 0.063 108.845 108.800 -0.029 0.000 2.534 566 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 566 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 566 G C 1.237 176.120 174.900 -0.029 0.000 1.128 566 G CA 0.221 45.305 45.100 -0.028 0.000 0.784 566 G HN 0.168 nan 8.290 nan 0.000 0.542 567 L N 0.362 121.565 121.223 -0.033 0.000 2.416 567 L HA 0.326 4.666 4.340 -0.000 0.000 0.216 567 L C 1.876 178.723 176.870 -0.038 0.000 1.098 567 L CA -0.208 54.609 54.840 -0.038 0.000 0.840 567 L CB -0.125 41.906 42.059 -0.046 0.000 0.981 567 L HN 0.164 nan 8.230 nan 0.000 0.462 568 A N 0.554 123.353 122.820 -0.035 0.000 2.591 568 A HA 0.268 4.588 4.320 -0.000 0.000 0.244 568 A C 1.480 179.044 177.584 -0.033 0.000 1.031 568 A CA 1.003 53.019 52.037 -0.035 0.000 0.767 568 A CB -0.505 18.479 19.000 -0.026 0.000 0.942 568 A HN 0.645 nan 8.150 nan 0.000 0.514 569 G N 1.985 110.762 108.800 -0.039 0.000 2.253 569 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.251 569 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.251 569 G C 0.401 175.284 174.900 -0.028 0.000 0.998 569 G CA 0.653 45.734 45.100 -0.032 0.000 0.621 569 G HN 0.874 nan 8.290 nan 0.000 0.524 570 K N 0.602 120.985 120.400 -0.030 0.000 2.298 570 K HA 0.426 4.746 4.320 -0.000 0.000 0.280 570 K C 0.373 176.960 176.600 -0.021 0.000 1.032 570 K CA -0.347 55.926 56.287 -0.023 0.000 0.958 570 K CB 0.922 33.408 32.500 -0.024 0.000 0.978 570 K HN 0.278 nan 8.250 nan 0.000 0.472 571 R N 3.205 123.702 120.500 -0.006 0.000 2.310 571 R HA 0.166 4.506 4.340 -0.000 0.000 0.316 571 R C 0.032 176.342 176.300 0.018 0.000 1.004 571 R CA -0.327 55.779 56.100 0.011 0.000 0.900 571 R CB 0.505 30.817 30.300 0.020 0.000 1.152 571 R HN 0.603 nan 8.270 nan 0.000 0.513 572 R N 2.037 122.550 120.500 0.021 0.000 2.362 572 R HA 0.314 4.654 4.340 -0.000 0.000 0.227 572 R C -0.281 176.039 176.300 0.035 0.000 0.905 572 R CA 0.231 56.342 56.100 0.019 0.000 1.067 572 R CB 1.348 31.649 30.300 0.001 0.000 1.078 572 R HN 0.387 nan 8.270 nan 0.000 0.516 573 A N 0.907 123.765 122.820 0.062 0.000 2.393 573 A HA 0.486 4.806 4.320 -0.000 0.000 0.306 573 A C -0.168 177.444 177.584 0.047 0.000 1.050 573 A CA -0.677 51.397 52.037 0.062 0.000 0.724 573 A CB 1.241 20.297 19.000 0.093 0.000 1.248 573 A HN 0.127 nan 8.150 nan 0.000 0.424 574 T N -0.457 114.113 114.554 0.027 0.000 2.927 574 T HA 0.441 4.791 4.350 -0.000 0.000 0.281 574 T C 1.027 175.723 174.700 -0.007 0.000 0.998 574 T CA -0.213 61.897 62.100 0.017 0.000 1.019 574 T CB 0.826 69.709 68.868 0.025 0.000 1.061 574 T HN 0.839 nan 8.240 nan 0.000 0.518 575 I N 0.722 121.285 120.570 -0.011 0.000 2.454 575 I HA -0.023 4.147 4.170 -0.000 0.000 0.254 575 I C 1.976 178.108 176.117 0.024 0.000 1.156 575 I CA 1.515 62.803 61.300 -0.020 0.000 1.433 575 I CB -0.720 37.274 38.000 -0.009 0.000 1.082 575 I HN 0.760 nan 8.210 nan 0.000 0.432 576 E N 0.331 120.555 120.200 0.040 0.000 2.072 576 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 576 E C 2.197 178.844 176.600 0.078 0.000 0.985 576 E CA 1.439 57.878 56.400 0.065 0.000 0.801 576 E CB -0.365 29.369 29.700 0.057 0.000 0.750 576 E HN 0.606 nan 8.360 nan 0.000 0.452 577 Q N 0.051 119.890 119.800 0.066 0.000 2.084 577 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 577 Q C 2.294 178.370 176.000 0.127 0.000 0.978 577 Q CA 1.084 56.938 55.803 0.084 0.000 0.844 577 Q CB -0.218 28.559 28.738 0.064 0.000 0.898 577 Q HN 0.290 nan 8.270 nan 0.000 0.426 578 L N 0.285 121.568 121.223 0.100 0.000 2.083 578 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 578 L C 1.967 178.937 176.870 0.167 0.000 1.083 578 L CA 0.931 55.853 54.840 0.137 0.000 0.752 578 L CB -0.316 41.757 42.059 0.023 0.000 0.899 578 L HN 0.247 nan 8.230 nan 0.000 0.433 579 L N -0.827 120.480 121.223 0.140 0.000 2.612 579 L HA 0.035 4.375 4.340 -0.000 0.000 0.230 579 L C 0.484 177.440 176.870 0.144 0.000 1.140 579 L CA -0.163 54.782 54.840 0.174 0.000 0.896 579 L CB -0.554 41.642 42.059 0.229 0.000 1.065 579 L HN 0.070 nan 8.230 nan 0.000 0.447 580 T N 2.250 116.892 114.554 0.146 0.000 2.840 580 T HA 0.247 4.597 4.350 -0.000 0.000 0.276 580 T C 0.607 175.377 174.700 0.117 0.000 0.912 580 T CA -0.073 62.099 62.100 0.120 0.000 1.116 580 T CB -0.274 68.677 68.868 0.138 0.000 0.895 580 T HN 0.047 nan 8.240 nan 0.000 0.570 581 I N 6.556 127.131 120.570 0.009 0.000 2.668 581 I HA 0.072 4.242 4.170 -0.000 0.000 0.285 581 I C -1.088 175.046 176.117 0.028 0.000 1.168 581 I CA -1.594 59.675 61.300 -0.051 0.000 1.424 581 I CB 0.511 38.433 38.000 -0.130 0.000 1.377 581 I HN 0.351 nan 8.210 nan 0.000 0.560 582 P HA 0.046 nan 4.420 nan 0.000 0.249 582 P C -0.419 176.946 177.300 0.109 0.000 1.686 582 P CA -0.199 63.010 63.100 0.181 0.000 0.873 582 P CB -0.135 31.759 31.700 0.323 0.000 1.828 583 L N 1.179 122.423 121.223 0.035 0.000 2.416 583 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 583 L C 1.057 177.932 176.870 0.008 0.000 1.161 583 L CA -0.440 54.397 54.840 -0.005 0.000 0.845 583 L CB -0.052 41.964 42.059 -0.070 0.000 1.119 583 L HN 0.134 nan 8.230 nan 0.000 0.464 584 A N 4.981 127.805 122.820 0.006 0.000 2.371 584 A HA 0.423 4.743 4.320 -0.000 0.000 0.257 584 A C 0.349 177.797 177.584 -0.226 0.000 1.089 584 A CA -0.581 51.395 52.037 -0.103 0.000 0.794 584 A CB 0.150 19.037 19.000 -0.189 0.000 1.029 584 A HN 0.599 nan 8.150 nan 0.000 0.488 585 K N 1.199 121.438 120.400 -0.269 0.000 2.107 585 K HA 0.215 4.535 4.320 -0.000 0.000 0.251 585 K C 0.136 176.544 176.600 -0.320 0.000 1.012 585 K CA -0.455 55.689 56.287 -0.238 0.000 0.920 585 K CB 0.475 32.864 32.500 -0.185 0.000 1.033 585 K HN 0.797 nan 8.250 nan 0.000 0.478 586 E N 0.707 120.768 120.200 -0.230 0.000 2.442 586 E HA -0.033 4.316 4.350 -0.000 0.000 0.262 586 E C -0.433 176.019 176.600 -0.247 0.000 1.004 586 E CA 0.019 56.288 56.400 -0.219 0.000 0.928 586 E CB 0.054 29.666 29.700 -0.146 0.000 0.937 586 E HN 0.379 nan 8.360 nan 0.000 0.446 587 L N 2.310 123.389 121.223 -0.241 0.000 3.854 587 L HA -0.298 4.042 4.340 -0.000 0.000 0.460 587 L C 1.013 177.712 176.870 -0.285 0.000 1.228 587 L CA 1.381 56.094 54.840 -0.211 0.000 0.760 587 L CB -2.158 39.823 42.059 -0.130 0.000 1.597 587 L HN 0.640 nan 8.230 nan 0.000 0.852 588 A N -1.540 120.962 122.820 -0.530 0.000 1.935 588 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 588 A C 0.906 178.154 177.584 -0.560 0.000 1.178 588 A CA 0.921 52.536 52.037 -0.703 0.000 0.640 588 A CB 0.058 18.317 19.000 -1.234 0.000 0.825 588 A HN 0.487 nan 8.150 nan 0.000 0.447 589 W N -2.009 119.259 121.300 -0.054 0.000 2.736 589 W HA 0.723 5.383 4.660 0.000 0.000 0.355 589 W C -0.079 176.420 176.519 -0.032 0.000 1.102 589 W CA -1.131 56.197 57.345 -0.029 0.000 1.164 589 W CB 1.144 30.582 29.460 -0.037 0.000 1.422 589 W HN 0.204 nan 8.180 nan 0.000 0.572 590 A N 1.703 124.670 122.820 0.246 0.000 2.311 590 A HA 0.631 4.951 4.320 -0.000 0.000 0.334 590 A C -1.682 175.978 177.584 0.127 0.000 1.139 590 A CA -1.506 50.612 52.037 0.135 0.000 0.830 590 A CB 1.050 20.110 19.000 0.100 0.000 1.234 590 A HN 0.302 nan 8.150 nan 0.000 0.483 591 P HA -0.269 nan 4.420 nan 0.000 0.217 591 P C 0.741 178.079 177.300 0.065 0.000 1.158 591 P CA 2.251 65.390 63.100 0.064 0.000 0.887 591 P CB -0.020 31.707 31.700 0.045 0.000 0.792 592 D N -0.724 119.714 120.400 0.064 0.000 2.178 592 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 592 D C 1.617 177.958 176.300 0.068 0.000 0.980 592 D CA 1.149 55.184 54.000 0.058 0.000 0.842 592 D CB -0.899 39.934 40.800 0.055 0.000 0.948 592 D HN 0.248 nan 8.370 nan 0.000 0.472 593 E N -0.047 120.210 120.200 0.095 0.000 2.107 593 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 593 E C 2.199 178.844 176.600 0.075 0.000 0.982 593 E CA 0.616 57.080 56.400 0.106 0.000 0.809 593 E CB -0.019 29.791 29.700 0.184 0.000 0.756 593 E HN 0.447 nan 8.360 nan 0.000 0.459 594 I N 0.879 121.499 120.570 0.083 0.000 2.286 594 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 594 I C 2.721 178.911 176.117 0.122 0.000 1.104 594 I CA 0.754 62.118 61.300 0.107 0.000 1.397 594 I CB -0.263 37.759 38.000 0.037 0.000 1.072 594 I HN 0.049 nan 8.210 nan 0.000 0.417 595 R N 1.572 122.113 120.500 0.068 0.000 2.080 595 R HA -0.265 4.075 4.340 -0.000 0.000 0.236 595 R C 2.176 178.481 176.300 0.010 0.000 1.137 595 R CA 2.294 58.418 56.100 0.039 0.000 0.943 595 R CB -0.378 29.941 30.300 0.030 0.000 0.846 595 R HN 0.420 nan 8.270 nan 0.000 0.431 596 E N 0.128 120.333 120.200 0.007 0.000 2.085 596 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 596 E C 1.844 178.406 176.600 -0.064 0.000 0.994 596 E CA 1.739 58.123 56.400 -0.027 0.000 0.801 596 E CB -0.081 29.621 29.700 0.003 0.000 0.743 596 E HN 0.347 nan 8.360 nan 0.000 0.453 597 E N 0.044 120.204 120.200 -0.067 0.000 2.077 597 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 597 E C 1.960 178.428 176.600 -0.221 0.000 0.989 597 E CA 1.522 57.810 56.400 -0.186 0.000 0.800 597 E CB -0.150 29.361 29.700 -0.315 0.000 0.746 597 E HN 0.214 nan 8.360 nan 0.000 0.452 598 V N 1.213 121.051 119.914 -0.126 0.000 2.307 598 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 598 V C 1.817 177.853 176.094 -0.097 0.000 1.045 598 V CA 2.097 64.332 62.300 -0.109 0.000 1.024 598 V CB -0.636 31.177 31.823 -0.016 0.000 0.651 598 V HN 0.261 nan 8.190 nan 0.000 0.449 599 D N -0.031 120.325 120.400 -0.073 0.000 2.117 599 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 599 D C 2.086 178.334 176.300 -0.087 0.000 0.987 599 D CA 1.501 55.461 54.000 -0.067 0.000 0.829 599 D CB -0.523 40.243 40.800 -0.058 0.000 0.961 599 D HN 0.514 nan 8.370 nan 0.000 0.460 600 N N 0.361 118.994 118.700 -0.112 0.000 2.043 600 N HA -0.161 4.579 4.740 -0.000 0.000 0.193 600 N C 1.540 176.985 175.510 -0.108 0.000 1.037 600 N CA 0.834 53.813 53.050 -0.118 0.000 0.851 600 N CB 0.115 38.526 38.487 -0.127 0.000 1.027 600 N HN 0.042 nan 8.380 nan 0.000 0.422 601 N N 0.674 119.290 118.700 -0.140 0.000 2.166 601 N HA -0.097 4.642 4.740 -0.000 0.000 0.186 601 N C 1.854 177.299 175.510 -0.107 0.000 1.019 601 N CA 0.767 53.730 53.050 -0.144 0.000 0.856 601 N CB -0.559 37.801 38.487 -0.211 0.000 0.993 601 N HN 0.378 nan 8.380 nan 0.000 0.426 602 C N 0.605 119.846 119.300 -0.098 0.000 2.440 602 C HA -0.051 4.409 4.460 -0.000 0.000 0.278 602 C C 2.863 177.826 174.990 -0.045 0.000 1.295 602 C CA 0.405 59.377 59.018 -0.078 0.000 1.738 602 C CB -0.806 26.891 27.740 -0.073 0.000 1.987 602 C HN 0.474 nan 8.230 nan 0.000 0.492 603 Q N 1.724 121.502 119.800 -0.038 0.000 2.084 603 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 603 Q C 2.318 178.320 176.000 0.004 0.000 0.978 603 Q CA 2.613 58.409 55.803 -0.011 0.000 0.844 603 Q CB -0.651 28.071 28.738 -0.026 0.000 0.898 603 Q HN 0.610 nan 8.270 nan 0.000 0.426 604 S N -0.831 114.858 115.700 -0.017 0.000 2.368 604 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 604 S C 1.949 176.569 174.600 0.034 0.000 1.030 604 S CA 1.228 59.426 58.200 -0.003 0.000 0.999 604 S CB -0.385 62.789 63.200 -0.044 0.000 0.844 604 S HN 0.498 nan 8.310 nan 0.000 0.459 605 I N 0.982 121.554 120.570 0.004 0.000 2.202 605 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 605 I C 2.359 178.509 176.117 0.055 0.000 1.091 605 I CA 1.133 62.447 61.300 0.023 0.000 1.368 605 I CB -0.343 37.631 38.000 -0.044 0.000 1.058 605 I HN 0.311 nan 8.210 nan 0.000 0.410 606 L N 0.313 121.552 121.223 0.027 0.000 2.056 606 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 606 L C 2.690 179.625 176.870 0.108 0.000 1.078 606 L CA 1.533 56.405 54.840 0.054 0.000 0.749 606 L CB -1.099 40.998 42.059 0.064 0.000 0.901 606 L HN 0.307 nan 8.230 nan 0.000 0.433 607 G N -1.053 107.813 108.800 0.111 0.000 2.418 607 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.217 607 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.217 607 G C 1.472 176.473 174.900 0.168 0.000 1.158 607 G CA 0.813 45.987 45.100 0.123 0.000 0.771 607 G HN 0.310 nan 8.290 nan 0.000 0.545 608 Y N 1.098 121.436 120.300 0.063 0.000 2.153 608 Y HA -0.025 4.525 4.550 -0.000 0.000 0.289 608 Y C 2.860 178.846 175.900 0.142 0.000 1.127 608 Y CA 1.306 59.464 58.100 0.097 0.000 1.131 608 Y CB -0.431 38.071 38.460 0.071 0.000 0.995 608 Y HN 0.019 nan 8.280 nan 0.000 0.505 609 V N -0.656 119.272 119.914 0.024 0.000 2.407 609 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 609 V C 2.454 178.546 176.094 -0.002 0.000 1.055 609 V CA 1.635 63.900 62.300 -0.058 0.000 1.049 609 V CB -1.023 30.784 31.823 -0.028 0.000 0.662 609 V HN 0.417 nan 8.190 nan 0.000 0.455 610 V N 0.039 119.984 119.914 0.052 0.000 2.407 610 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 610 V C 2.606 178.724 176.094 0.039 0.000 1.055 610 V CA 2.177 64.526 62.300 0.080 0.000 1.049 610 V CB -0.423 31.532 31.823 0.221 0.000 0.662 610 V HN 0.492 nan 8.190 nan 0.000 0.455 611 R N -2.084 118.438 120.500 0.037 0.000 2.153 611 R HA -0.111 4.229 4.340 -0.000 0.000 0.218 611 R C 1.952 178.187 176.300 -0.107 0.000 1.072 611 R CA 1.577 57.666 56.100 -0.019 0.000 0.990 611 R CB -0.298 29.998 30.300 -0.008 0.000 0.889 611 R HN 0.695 nan 8.270 nan 0.000 0.452 612 W N 0.195 121.304 121.300 -0.318 0.000 2.413 612 W HA -0.164 4.496 4.660 -0.000 0.000 0.315 612 W C 1.909 178.263 176.519 -0.275 0.000 1.186 612 W CA 1.084 58.222 57.345 -0.344 0.000 1.326 612 W CB -0.135 29.045 29.460 -0.466 0.000 1.153 612 W HN -0.246 nan 8.180 nan 0.000 0.489 613 V N 0.369 120.361 119.914 0.130 0.000 2.323 613 V HA -0.278 3.842 4.120 -0.000 0.000 0.244 613 V C 1.553 177.319 176.094 -0.546 0.000 1.041 613 V CA 2.318 64.595 62.300 -0.038 0.000 1.025 613 V CB -0.863 30.945 31.823 -0.025 0.000 0.656 613 V HN 0.032 nan 8.190 nan 0.000 0.451 614 D N -0.530 119.464 120.400 -0.678 0.000 2.194 614 D HA -0.067 4.573 4.640 -0.000 0.000 0.204 614 D C 2.077 177.949 176.300 -0.712 0.000 0.964 614 D CA 0.958 54.221 54.000 -1.228 0.000 0.846 614 D CB 0.000 40.434 40.800 -0.610 0.000 0.962 614 D HN 0.498 nan 8.370 nan 0.000 0.490 615 Q N -1.020 118.567 119.800 -0.356 0.000 2.164 615 Q HA 0.314 4.654 4.340 -0.000 0.000 0.226 615 Q C 0.623 176.486 176.000 -0.230 0.000 0.813 615 Q CA 0.224 55.904 55.803 -0.205 0.000 0.978 615 Q CB 1.668 30.339 28.738 -0.112 0.000 1.149 615 Q HN 0.167 nan 8.270 nan 0.000 0.489 616 G N 1.402 110.011 108.800 -0.320 0.000 2.249 616 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.273 616 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.273 616 G C -0.075 174.525 174.900 -0.499 0.000 1.036 616 G CA 0.174 45.008 45.100 -0.444 0.000 0.824 616 G HN 0.213 nan 8.290 nan 0.000 0.504 617 V N 0.113 119.754 119.914 -0.455 0.000 2.347 617 V HA 0.630 4.750 4.120 -0.000 0.000 0.280 617 V C 1.426 177.242 176.094 -0.463 0.000 1.021 617 V CA 0.340 62.428 62.300 -0.354 0.000 0.847 617 V CB 1.337 33.053 31.823 -0.178 0.000 0.990 617 V HN 0.538 nan 8.190 nan 0.000 0.444 618 G N 2.658 111.213 108.800 -0.408 0.000 3.088 618 G HA2 0.107 4.067 3.960 -0.000 0.000 0.212 618 G HA3 0.107 4.067 3.960 -0.000 0.000 0.212 618 G C 0.240 175.341 174.900 0.336 0.000 1.173 618 G CA 0.267 45.265 45.100 -0.171 0.000 0.779 618 G HN 0.674 nan 8.290 nan 0.000 0.540 619 C N 0.620 120.067 119.300 0.244 0.000 2.705 619 C HA 0.733 5.193 4.460 -0.000 0.000 0.369 619 C C -0.618 174.527 174.990 0.258 0.000 1.069 619 C CA -0.546 58.676 59.018 0.340 0.000 1.260 619 C CB 0.551 28.424 27.740 0.223 0.000 1.764 619 C HN 0.162 nan 8.230 nan 0.000 0.469 620 S N 3.741 119.623 115.700 0.303 0.000 2.595 620 S HA 0.569 5.039 4.470 -0.000 0.000 0.281 620 S C -1.455 173.242 174.600 0.162 0.000 1.117 620 S CA -0.810 57.513 58.200 0.204 0.000 0.873 620 S CB 1.739 65.050 63.200 0.185 0.000 1.108 620 S HN 0.716 nan 8.310 nan 0.000 0.477 621 K N 1.704 122.170 120.400 0.111 0.000 2.262 621 K HA 0.537 4.857 4.320 -0.000 0.000 0.282 621 K C -1.283 175.358 176.600 0.069 0.000 1.066 621 K CA -0.372 55.962 56.287 0.077 0.000 0.901 621 K CB 1.018 33.553 32.500 0.058 0.000 1.089 621 K HN 0.267 nan 8.250 nan 0.000 0.476 622 V N 5.676 125.628 119.914 0.064 0.000 2.444 622 V HA 0.249 4.369 4.120 -0.000 0.000 0.294 622 V C -2.359 173.755 176.094 0.033 0.000 1.022 622 V CA -2.422 59.911 62.300 0.054 0.000 0.850 622 V CB 1.612 33.481 31.823 0.076 0.000 0.992 622 V HN 0.611 nan 8.190 nan 0.000 0.426 623 P HA 0.191 nan 4.420 nan 0.000 0.271 623 P C -0.766 176.540 177.300 0.010 0.000 1.216 623 P CA -0.192 62.920 63.100 0.021 0.000 0.771 623 P CB 0.539 32.250 31.700 0.019 0.000 0.864 624 D N 2.417 122.823 120.400 0.010 0.000 2.440 624 D HA 0.038 4.678 4.640 -0.000 0.000 0.269 624 D C 1.285 177.548 176.300 -0.062 0.000 1.249 624 D CA -0.429 53.561 54.000 -0.017 0.000 1.055 624 D CB -0.021 40.784 40.800 0.009 0.000 1.104 624 D HN 0.215 nan 8.370 nan 0.000 0.561 625 I N -0.761 119.711 120.570 -0.165 0.000 2.700 625 I HA -0.228 3.942 4.170 -0.000 0.000 0.261 625 I C 0.909 176.833 176.117 -0.322 0.000 1.219 625 I CA 0.999 62.139 61.300 -0.266 0.000 1.463 625 I CB -0.103 37.673 38.000 -0.374 0.000 1.092 625 I HN 0.293 nan 8.210 nan 0.000 0.452 626 H N -0.337 118.731 119.070 -0.004 0.000 2.529 626 H HA 0.067 4.623 4.556 -0.000 0.000 0.277 626 H C 0.472 175.802 175.328 0.004 0.000 1.004 626 H CA 0.383 56.431 56.048 0.001 0.000 1.167 626 H CB 0.068 29.829 29.762 -0.002 0.000 1.445 626 H HN 0.290 nan 8.280 nan 0.000 0.554 627 D N 0.302 120.741 120.400 0.064 0.000 3.076 627 D HA -0.167 4.473 4.640 -0.000 0.000 0.218 627 D C -0.436 175.897 176.300 0.056 0.000 1.156 627 D CA 0.301 54.329 54.000 0.048 0.000 0.921 627 D CB -1.418 39.408 40.800 0.044 0.000 1.113 627 D HN 0.087 nan 8.370 nan 0.000 0.418 628 V N 0.648 120.606 119.914 0.073 0.000 2.488 628 V HA 0.583 4.703 4.120 -0.000 0.000 0.277 628 V C 1.186 177.304 176.094 0.040 0.000 1.046 628 V CA -0.217 62.118 62.300 0.058 0.000 0.986 628 V CB 1.260 33.118 31.823 0.059 0.000 0.989 628 V HN 0.382 nan 8.190 nan 0.000 0.475 629 A N 7.417 130.261 122.820 0.040 0.000 2.476 629 A HA 0.472 4.792 4.320 -0.000 0.000 0.275 629 A C -0.254 177.346 177.584 0.027 0.000 1.133 629 A CA 0.077 52.135 52.037 0.036 0.000 0.797 629 A CB -0.457 18.568 19.000 0.042 0.000 1.081 629 A HN 0.787 nan 8.150 nan 0.000 0.510 630 L N 3.223 124.456 121.223 0.017 0.000 2.329 630 L HA 0.439 4.779 4.340 -0.000 0.000 0.279 630 L C 0.314 177.192 176.870 0.012 0.000 1.014 630 L CA -0.413 54.425 54.840 -0.003 0.000 0.814 630 L CB 1.870 43.917 42.059 -0.021 0.000 1.257 630 L HN 0.813 nan 8.230 nan 0.000 0.424 631 M N 3.677 123.283 119.600 0.009 0.000 2.146 631 M HA 0.183 4.663 4.480 -0.000 0.000 0.352 631 M C -0.605 175.688 176.300 -0.011 0.000 1.343 631 M CA -0.052 55.264 55.300 0.028 0.000 1.115 631 M CB 0.415 33.041 32.600 0.044 0.000 1.657 631 M HN 0.452 nan 8.290 nan 0.000 0.471 632 E N 4.463 124.663 120.200 -0.000 0.000 2.179 632 E HA 0.364 4.714 4.350 -0.000 0.000 0.275 632 E C -1.094 175.321 176.600 -0.308 0.000 0.945 632 E CA -0.307 55.990 56.400 -0.171 0.000 0.792 632 E CB 1.738 31.383 29.700 -0.093 0.000 1.125 632 E HN 0.754 nan 8.360 nan 0.000 0.397 633 D N 0.594 120.644 120.400 -0.584 0.000 2.744 633 D HA 0.219 4.859 4.640 -0.000 0.000 0.304 633 D C 0.613 176.571 176.300 -0.569 0.000 1.179 633 D CA -0.736 53.030 54.000 -0.391 0.000 1.024 633 D CB 0.854 41.632 40.800 -0.037 0.000 1.453 633 D HN 0.131 nan 8.370 nan 0.000 0.529 634 R N -0.404 120.061 120.500 -0.057 0.000 2.127 634 R HA -0.020 4.320 4.340 -0.000 0.000 0.238 634 R C 2.069 178.331 176.300 -0.064 0.000 1.134 634 R CA 2.036 58.144 56.100 0.013 0.000 0.975 634 R CB -0.449 29.952 30.300 0.169 0.000 0.865 634 R HN 0.550 nan 8.270 nan 0.000 0.447 635 A N -0.026 122.754 122.820 -0.066 0.000 1.898 635 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 635 A C 2.177 179.672 177.584 -0.148 0.000 1.181 635 A CA 1.948 53.937 52.037 -0.081 0.000 0.620 635 A CB -0.986 17.960 19.000 -0.089 0.000 0.819 635 A HN 0.519 nan 8.150 nan 0.000 0.442 636 T N -1.593 112.836 114.554 -0.208 0.000 2.788 636 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 636 T C 1.761 176.346 174.700 -0.193 0.000 1.044 636 T CA 1.495 63.469 62.100 -0.209 0.000 1.139 636 T CB -0.480 68.250 68.868 -0.229 0.000 0.867 636 T HN 0.236 nan 8.240 nan 0.000 0.454 637 L N 1.486 122.568 121.223 -0.236 0.000 2.056 637 L HA 0.187 4.527 4.340 -0.000 0.000 0.207 637 L C 2.805 179.618 176.870 -0.095 0.000 1.078 637 L CA 1.805 56.554 54.840 -0.151 0.000 0.749 637 L CB -0.788 41.207 42.059 -0.107 0.000 0.901 637 L HN 0.239 nan 8.230 nan 0.000 0.433 638 R N -0.255 120.197 120.500 -0.079 0.000 2.105 638 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 638 R C 2.187 178.444 176.300 -0.071 0.000 1.135 638 R CA 2.181 58.248 56.100 -0.055 0.000 0.967 638 R CB -0.471 29.816 30.300 -0.021 0.000 0.861 638 R HN 0.520 nan 8.270 nan 0.000 0.442 639 I N 0.154 120.673 120.570 -0.086 0.000 2.163 639 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 639 I C 2.243 178.296 176.117 -0.106 0.000 1.081 639 I CA 1.414 62.663 61.300 -0.085 0.000 1.353 639 I CB -0.315 37.636 38.000 -0.082 0.000 1.054 639 I HN 0.191 nan 8.210 nan 0.000 0.407 640 S N 0.867 116.496 115.700 -0.118 0.000 2.359 640 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 640 S C 2.187 176.704 174.600 -0.138 0.000 1.035 640 S CA 1.907 60.023 58.200 -0.141 0.000 1.018 640 S CB -0.488 62.638 63.200 -0.123 0.000 0.876 640 S HN 0.624 nan 8.310 nan 0.000 0.448 641 S N 1.407 117.045 115.700 -0.103 0.000 2.383 641 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 641 S C 1.842 176.399 174.600 -0.071 0.000 1.026 641 S CA 0.658 58.807 58.200 -0.085 0.000 0.981 641 S CB -0.416 62.744 63.200 -0.067 0.000 0.818 641 S HN 0.298 nan 8.310 nan 0.000 0.472 642 Q N 0.698 120.462 119.800 -0.061 0.000 2.123 642 Q HA 0.116 4.456 4.340 -0.000 0.000 0.199 642 Q C 2.265 178.234 176.000 -0.052 0.000 0.966 642 Q CA 0.670 56.458 55.803 -0.024 0.000 0.845 642 Q CB -0.647 28.088 28.738 -0.005 0.000 0.907 642 Q HN 0.468 nan 8.270 nan 0.000 0.439 643 L N 0.602 121.749 121.223 -0.127 0.000 1.994 643 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 643 L C 2.129 178.826 176.870 -0.288 0.000 1.071 643 L CA 1.528 56.225 54.840 -0.238 0.000 0.745 643 L CB -0.887 40.951 42.059 -0.368 0.000 0.892 643 L HN 0.236 nan 8.230 nan 0.000 0.431 644 L N -0.075 120.996 121.223 -0.254 0.000 2.083 644 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 644 L C 2.829 179.690 176.870 -0.016 0.000 1.083 644 L CA 1.118 55.861 54.840 -0.162 0.000 0.752 644 L CB -0.798 41.176 42.059 -0.143 0.000 0.899 644 L HN 0.318 nan 8.230 nan 0.000 0.433 645 A N 0.196 123.006 122.820 -0.017 0.000 1.933 645 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 645 A C 2.177 179.804 177.584 0.071 0.000 1.175 645 A CA 1.974 54.024 52.037 0.022 0.000 0.628 645 A CB -0.729 18.283 19.000 0.019 0.000 0.814 645 A HN 0.543 nan 8.150 nan 0.000 0.444 646 N N -1.451 117.314 118.700 0.108 0.000 2.216 646 N HA -0.168 4.572 4.740 -0.000 0.000 0.183 646 N C 1.614 177.376 175.510 0.419 0.000 1.017 646 N CA 1.422 54.613 53.050 0.236 0.000 0.861 646 N CB -0.240 38.377 38.487 0.216 0.000 0.986 646 N HN 0.574 nan 8.380 nan 0.000 0.428 647 W N 1.199 122.535 121.300 0.061 0.000 2.436 647 W HA 0.036 4.696 4.660 -0.000 0.000 0.284 647 W C 2.149 178.694 176.519 0.044 0.000 1.225 647 W CA -0.002 57.377 57.345 0.057 0.000 1.271 647 W CB -0.954 28.487 29.460 -0.033 0.000 1.114 647 W HN 0.116 nan 8.180 nan 0.000 0.559 648 L N 0.799 122.161 121.223 0.232 0.000 2.109 648 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 648 L C 2.520 179.414 176.870 0.040 0.000 1.086 648 L CA 1.788 56.693 54.840 0.108 0.000 0.760 648 L CB -0.876 41.221 42.059 0.063 0.000 0.910 648 L HN -0.157 nan 8.230 nan 0.000 0.437 649 R N -1.156 119.350 120.500 0.010 0.000 2.152 649 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 649 R C 1.357 177.447 176.300 -0.351 0.000 1.117 649 R CA 1.524 57.523 56.100 -0.170 0.000 0.981 649 R CB -0.306 29.861 30.300 -0.222 0.000 0.870 649 R HN 0.530 nan 8.270 nan 0.000 0.451 650 H N -1.665 117.430 119.070 0.041 0.000 2.486 650 H HA 0.278 4.834 4.556 -0.000 0.000 0.284 650 H C 0.653 175.978 175.328 -0.006 0.000 1.103 650 H CA 0.406 56.461 56.048 0.012 0.000 1.089 650 H CB 0.835 30.604 29.762 0.012 0.000 1.603 650 H HN 0.456 nan 8.280 nan 0.000 0.557 651 G N 0.982 109.814 108.800 0.053 0.000 2.168 651 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.263 651 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.263 651 G C 1.340 176.249 174.900 0.015 0.000 0.977 651 G CA 0.691 45.808 45.100 0.028 0.000 0.659 651 G HN 0.345 nan 8.290 nan 0.000 0.533 652 V N 0.613 120.531 119.914 0.006 0.000 2.407 652 V HA 0.113 4.233 4.120 -0.000 0.000 0.248 652 V C 1.615 177.684 176.094 -0.041 0.000 1.055 652 V CA 2.212 64.451 62.300 -0.102 0.000 1.049 652 V CB -0.543 31.038 31.823 -0.404 0.000 0.662 652 V HN 0.867 nan 8.190 nan 0.000 0.455 653 I N -3.069 117.531 120.570 0.051 0.000 3.074 653 I HA 0.689 4.859 4.170 -0.000 0.000 0.310 653 I C -0.220 175.932 176.117 0.057 0.000 1.153 653 I CA -0.636 60.709 61.300 0.074 0.000 0.993 653 I CB 2.297 40.387 38.000 0.150 0.000 1.237 653 I HN 0.063 nan 8.210 nan 0.000 0.443 654 T N -0.798 113.781 114.554 0.042 0.000 2.923 654 T HA 0.324 4.674 4.350 -0.000 0.000 0.281 654 T C 1.076 175.792 174.700 0.026 0.000 0.995 654 T CA 0.013 62.130 62.100 0.028 0.000 0.985 654 T CB 1.477 70.356 68.868 0.019 0.000 1.114 654 T HN 0.850 nan 8.240 nan 0.000 0.548 655 S N 0.090 115.800 115.700 0.017 0.000 2.447 655 S HA 0.023 4.493 4.470 -0.000 0.000 0.233 655 S C 2.257 176.864 174.600 0.010 0.000 1.006 655 S CA 0.450 58.658 58.200 0.012 0.000 0.957 655 S CB -0.988 62.218 63.200 0.010 0.000 0.773 655 S HN 0.990 nan 8.310 nan 0.000 0.507 656 A N 2.375 125.202 122.820 0.012 0.000 1.929 656 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 656 A C 1.956 179.544 177.584 0.007 0.000 1.176 656 A CA 1.365 53.407 52.037 0.009 0.000 0.628 656 A CB -0.670 18.335 19.000 0.010 0.000 0.816 656 A HN 0.444 nan 8.150 nan 0.000 0.444 657 D N -0.029 120.379 120.400 0.013 0.000 2.117 657 D HA -0.117 4.522 4.640 -0.000 0.000 0.197 657 D C 2.118 178.421 176.300 0.005 0.000 0.987 657 D CA 1.530 55.540 54.000 0.016 0.000 0.829 657 D CB -0.411 40.410 40.800 0.034 0.000 0.961 657 D HN 0.215 nan 8.370 nan 0.000 0.460 658 V N 1.008 120.924 119.914 0.003 0.000 2.261 658 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 658 V C 2.549 178.625 176.094 -0.029 0.000 1.047 658 V CA 1.602 63.892 62.300 -0.017 0.000 1.015 658 V CB -0.420 31.393 31.823 -0.018 0.000 0.642 658 V HN 0.040 nan 8.190 nan 0.000 0.446 659 R N 1.016 121.506 120.500 -0.016 0.000 2.083 659 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 659 R C 2.159 178.438 176.300 -0.035 0.000 1.137 659 R CA 2.076 58.169 56.100 -0.012 0.000 0.951 659 R CB -1.061 29.240 30.300 0.001 0.000 0.851 659 R HN 0.464 nan 8.270 nan 0.000 0.434 660 A N -0.892 121.910 122.820 -0.030 0.000 1.933 660 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 660 A C 2.305 179.868 177.584 -0.036 0.000 1.175 660 A CA 1.938 53.953 52.037 -0.036 0.000 0.628 660 A CB -0.956 18.035 19.000 -0.015 0.000 0.814 660 A HN 0.470 nan 8.150 nan 0.000 0.444 661 S N -0.511 115.172 115.700 -0.029 0.000 2.355 661 S HA -0.073 4.397 4.470 -0.000 0.000 0.222 661 S C 1.947 176.531 174.600 -0.028 0.000 1.031 661 S CA 1.316 59.499 58.200 -0.028 0.000 0.993 661 S CB -0.479 62.701 63.200 -0.034 0.000 0.859 661 S HN 0.494 nan 8.310 nan 0.000 0.453 662 L N 1.027 122.226 121.223 -0.040 0.000 2.042 662 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 662 L C 2.606 179.507 176.870 0.052 0.000 1.076 662 L CA 1.661 56.488 54.840 -0.023 0.000 0.749 662 L CB -0.528 41.463 42.059 -0.114 0.000 0.893 662 L HN 0.399 nan 8.230 nan 0.000 0.432 663 E N -0.817 119.317 120.200 -0.110 0.000 2.285 663 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 663 E C 2.238 178.785 176.600 -0.089 0.000 0.997 663 E CA 0.223 56.377 56.400 -0.410 0.000 0.845 663 E CB 0.123 29.440 29.700 -0.639 0.000 0.782 663 E HN 0.308 nan 8.360 nan 0.000 0.491 664 R N 0.185 120.673 120.500 -0.020 0.000 2.080 664 R HA -0.000 4.340 4.340 -0.000 0.000 0.222 664 R C 1.902 178.238 176.300 0.060 0.000 1.107 664 R CA 0.761 56.878 56.100 0.028 0.000 0.980 664 R CB 0.205 30.511 30.300 0.010 0.000 0.879 664 R HN 0.116 nan 8.270 nan 0.000 0.439 665 M N -0.151 119.482 119.600 0.056 0.000 2.388 665 M HA 0.100 4.580 4.480 -0.000 0.000 0.265 665 M C 2.297 178.674 176.300 0.129 0.000 1.088 665 M CA 0.854 56.194 55.300 0.068 0.000 1.134 665 M CB -0.977 31.643 32.600 0.034 0.000 1.384 665 M HN 0.100 nan 8.290 nan 0.000 0.447 666 A N 1.630 124.571 122.820 0.202 0.000 1.892 666 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 666 A C -0.210 177.542 177.584 0.280 0.000 1.188 666 A CA 1.815 54.045 52.037 0.322 0.000 0.631 666 A CB -2.118 17.216 19.000 0.558 0.000 0.822 666 A HN 0.308 nan 8.150 nan 0.000 0.447 667 P HA -0.106 nan 4.420 nan 0.000 0.218 667 P C 1.406 178.785 177.300 0.131 0.000 1.149 667 P CA 0.810 64.019 63.100 0.182 0.000 0.817 667 P CB -0.120 31.677 31.700 0.161 0.000 0.785 668 L N -1.436 119.853 121.223 0.110 0.000 2.056 668 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 668 L C 2.318 179.227 176.870 0.064 0.000 1.078 668 L CA 1.260 56.143 54.840 0.071 0.000 0.749 668 L CB -1.152 40.938 42.059 0.052 0.000 0.901 668 L HN -0.137 nan 8.230 nan 0.000 0.433 669 V N -0.228 119.742 119.914 0.094 0.000 2.407 669 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 669 V C 2.107 178.238 176.094 0.061 0.000 1.055 669 V CA 1.758 64.107 62.300 0.081 0.000 1.049 669 V CB -0.527 31.381 31.823 0.142 0.000 0.662 669 V HN 0.435 nan 8.190 nan 0.000 0.455 670 D N -0.319 120.191 120.400 0.182 0.000 2.144 670 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 670 D C 2.283 178.620 176.300 0.062 0.000 0.984 670 D CA 1.259 55.433 54.000 0.290 0.000 0.834 670 D CB -0.193 40.794 40.800 0.312 0.000 0.955 670 D HN 0.358 nan 8.370 nan 0.000 0.465 671 R N 0.682 121.207 120.500 0.042 0.000 2.070 671 R HA -0.115 4.225 4.340 -0.000 0.000 0.233 671 R C 2.193 178.463 176.300 -0.051 0.000 1.137 671 R CA 1.241 57.346 56.100 0.008 0.000 0.945 671 R CB -0.021 30.294 30.300 0.024 0.000 0.845 671 R HN 0.189 nan 8.270 nan 0.000 0.430 672 Q N -0.071 119.689 119.800 -0.066 0.000 2.297 672 Q HA -0.122 4.218 4.340 -0.000 0.000 0.208 672 Q C 0.023 175.922 176.000 -0.168 0.000 0.981 672 Q CA 1.020 56.771 55.803 -0.086 0.000 0.876 672 Q CB -0.076 28.626 28.738 -0.060 0.000 0.921 672 Q HN 0.365 nan 8.270 nan 0.000 0.446 679 Y N 1.957 122.268 120.300 0.018 0.000 2.304 679 Y HA 0.638 5.188 4.550 -0.000 0.000 0.328 679 Y C 0.397 176.318 175.900 0.035 0.000 1.123 679 Y CA -0.351 57.759 58.100 0.018 0.000 1.218 679 Y CB 0.607 39.075 38.460 0.014 0.000 1.207 679 Y HN 0.269 nan 8.280 nan 0.000 0.495 680 R N 7.290 127.401 120.500 -0.648 0.000 2.275 680 R HA 0.327 4.667 4.340 -0.000 0.000 0.326 680 R C -2.678 173.186 176.300 -0.726 0.000 0.973 680 R CA -1.929 53.897 56.100 -0.457 0.000 0.854 680 R CB 0.784 30.980 30.300 -0.173 0.000 1.156 680 R HN 0.516 nan 8.270 nan 0.000 0.487 681 P HA -0.030 nan 4.420 nan 0.000 0.264 681 P C 0.280 177.485 177.300 -0.158 0.000 1.183 681 P CA 0.478 63.454 63.100 -0.207 0.000 0.763 681 P CB 0.700 32.377 31.700 -0.038 0.000 0.807 682 M N 1.641 121.215 119.600 -0.044 0.000 2.357 682 M HA 0.051 4.531 4.480 -0.000 0.000 0.266 682 M C 0.999 177.153 176.300 -0.244 0.000 1.095 682 M CA 0.767 56.063 55.300 -0.006 0.000 1.156 682 M CB -0.080 32.679 32.600 0.264 0.000 1.365 682 M HN 0.337 nan 8.290 nan 0.000 0.447 683 A N 0.635 123.309 122.820 -0.244 0.000 2.302 683 A HA 0.382 4.702 4.320 -0.000 0.000 0.285 683 A C -1.852 175.485 177.584 -0.412 0.000 1.105 683 A CA -1.250 50.425 52.037 -0.603 0.000 0.816 683 A CB -0.210 18.667 19.000 -0.204 0.000 1.067 683 A HN 0.121 nan 8.150 nan 0.000 0.489 684 P HA 0.024 nan 4.420 nan 0.000 0.222 684 P C -0.058 176.621 177.300 -1.036 0.000 1.157 684 P CA 0.505 63.185 63.100 -0.699 0.000 0.816 684 P CB 0.155 31.668 31.700 -0.312 0.000 0.813 685 N N 0.591 118.912 118.700 -0.633 0.000 2.968 685 N HA 0.096 4.836 4.740 -0.000 0.000 0.271 685 N C 0.421 175.648 175.510 -0.472 0.000 1.174 685 N CA -0.031 52.751 53.050 -0.448 0.000 1.096 685 N CB -0.297 38.057 38.487 -0.223 0.000 1.403 685 N HN 0.109 nan 8.380 nan 0.000 0.522 686 F N 0.524 120.246 119.950 -0.381 0.000 2.126 686 F HA -0.139 4.388 4.527 0.000 0.000 0.299 686 F C 1.640 177.202 175.800 -0.396 0.000 1.096 686 F CA 0.801 58.353 58.000 -0.747 0.000 1.255 686 F CB -0.141 37.835 39.000 -1.706 0.000 0.997 686 F HN 0.168 nan 8.300 nan 0.000 0.479 687 D N -0.451 119.941 120.400 -0.014 0.000 2.378 687 D HA -0.075 4.565 4.640 -0.000 0.000 0.227 687 D C 1.167 177.506 176.300 0.065 0.000 1.012 687 D CA 0.696 54.749 54.000 0.089 0.000 0.905 687 D CB -0.371 40.481 40.800 0.087 0.000 0.895 687 D HN 0.251 nan 8.370 nan 0.000 0.532 688 D N -1.051 119.357 120.400 0.014 0.000 2.379 688 D HA 0.015 4.655 4.640 -0.000 0.000 0.208 688 D C 0.196 176.522 176.300 0.044 0.000 1.065 688 D CA 0.234 54.241 54.000 0.012 0.000 0.848 688 D CB 0.315 41.095 40.800 -0.033 0.000 0.949 688 D HN -0.057 nan 8.370 nan 0.000 0.509 689 S N 0.665 116.411 115.700 0.077 0.000 2.430 689 S HA 0.254 4.724 4.470 -0.000 0.000 0.289 689 S C 1.509 176.228 174.600 0.198 0.000 1.143 689 S CA -0.574 57.706 58.200 0.132 0.000 1.067 689 S CB 0.257 63.545 63.200 0.148 0.000 0.964 689 S HN 0.008 nan 8.310 nan 0.000 0.485 690 I N 4.563 125.246 120.570 0.189 0.000 2.286 690 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 690 I C 2.638 178.852 176.117 0.161 0.000 1.115 690 I CA 1.399 62.812 61.300 0.188 0.000 1.392 690 I CB -0.541 37.608 38.000 0.248 0.000 1.065 690 I HN 0.780 nan 8.210 nan 0.000 0.418 691 A N 0.711 123.618 122.820 0.143 0.000 1.902 691 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 691 A C 2.241 179.898 177.584 0.120 0.000 1.181 691 A CA 1.402 53.492 52.037 0.088 0.000 0.623 691 A CB -0.954 18.070 19.000 0.041 0.000 0.818 691 A HN 0.442 nan 8.150 nan 0.000 0.443 692 F N 0.565 120.557 119.950 0.070 0.000 2.134 692 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 692 F C 1.907 177.749 175.800 0.069 0.000 1.097 692 F CA 1.616 59.672 58.000 0.093 0.000 1.264 692 F CB -0.174 38.922 39.000 0.160 0.000 1.001 692 F HN 0.132 nan 8.300 nan 0.000 0.479 693 L N -0.224 121.148 121.223 0.249 0.000 2.083 693 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 693 L C 2.773 179.649 176.870 0.011 0.000 1.083 693 L CA 1.094 56.020 54.840 0.143 0.000 0.752 693 L CB -1.183 40.975 42.059 0.165 0.000 0.899 693 L HN 0.256 nan 8.230 nan 0.000 0.433 694 A N 0.072 122.895 122.820 0.006 0.000 1.898 694 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 694 A C 2.563 180.090 177.584 -0.094 0.000 1.181 694 A CA 1.637 53.654 52.037 -0.033 0.000 0.620 694 A CB -0.678 18.308 19.000 -0.024 0.000 0.819 694 A HN 0.386 nan 8.150 nan 0.000 0.442 695 A N -0.474 122.258 122.820 -0.146 0.000 1.883 695 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 695 A C 2.247 179.693 177.584 -0.230 0.000 1.186 695 A CA 2.010 53.927 52.037 -0.200 0.000 0.624 695 A CB -0.695 18.137 19.000 -0.280 0.000 0.822 695 A HN 0.700 nan 8.150 nan 0.000 0.444 696 Q N -0.555 119.061 119.800 -0.306 0.000 2.084 696 Q HA -0.233 4.106 4.340 -0.000 0.000 0.202 696 Q C 2.043 177.977 176.000 -0.110 0.000 0.978 696 Q CA 1.854 57.520 55.803 -0.228 0.000 0.844 696 Q CB -0.217 28.398 28.738 -0.206 0.000 0.898 696 Q HN 0.783 nan 8.270 nan 0.000 0.426 697 E N 0.139 120.292 120.200 -0.078 0.000 2.077 697 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 697 E C 2.107 178.679 176.600 -0.048 0.000 0.989 697 E CA 1.040 57.415 56.400 -0.042 0.000 0.800 697 E CB -0.095 29.592 29.700 -0.022 0.000 0.746 697 E HN 0.456 nan 8.360 nan 0.000 0.452 698 L N 0.575 121.758 121.223 -0.067 0.000 2.127 698 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 698 L C 2.330 179.167 176.870 -0.056 0.000 1.089 698 L CA 0.980 55.782 54.840 -0.064 0.000 0.757 698 L CB -0.270 41.742 42.059 -0.079 0.000 0.899 698 L HN 0.264 nan 8.230 nan 0.000 0.434 699 I N -0.952 119.578 120.570 -0.067 0.000 2.296 699 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 699 I C 2.227 178.324 176.117 -0.034 0.000 1.087 699 I CA 0.910 62.175 61.300 -0.058 0.000 1.393 699 I CB -0.171 37.782 38.000 -0.077 0.000 1.093 699 I HN 0.121 nan 8.210 nan 0.000 0.421 700 L N -0.122 121.081 121.223 -0.033 0.000 2.201 700 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 700 L C 1.857 178.724 176.870 -0.006 0.000 1.105 700 L CA 1.034 55.864 54.840 -0.016 0.000 0.775 700 L CB -0.398 41.653 42.059 -0.014 0.000 0.913 700 L HN 0.161 nan 8.230 nan 0.000 0.440 701 S N -0.644 115.052 115.700 -0.007 0.000 2.554 701 S HA 0.152 4.622 4.470 -0.000 0.000 0.226 701 S C 1.830 176.438 174.600 0.013 0.000 0.980 701 S CA 0.293 58.496 58.200 0.005 0.000 0.939 701 S CB 0.775 63.977 63.200 0.003 0.000 0.832 701 S HN 0.484 nan 8.310 nan 0.000 0.486 702 G N 2.349 111.154 108.800 0.008 0.000 2.469 702 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 702 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 702 G C 1.507 176.456 174.900 0.082 0.000 1.150 702 G CA 0.981 46.093 45.100 0.021 0.000 0.763 702 G HN 0.575 nan 8.290 nan 0.000 0.561 703 A N 0.091 122.958 122.820 0.078 0.000 2.019 703 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 703 A C 2.274 179.956 177.584 0.164 0.000 1.164 703 A CA 1.662 53.764 52.037 0.108 0.000 0.644 703 A CB -0.216 18.798 19.000 0.024 0.000 0.805 703 A HN 0.496 nan 8.150 nan 0.000 0.449 704 Q N -0.425 119.435 119.800 0.100 0.000 2.392 704 Q HA 0.041 4.380 4.340 -0.000 0.000 0.203 704 Q C -0.094 175.949 176.000 0.072 0.000 0.917 704 Q CA -0.003 55.852 55.803 0.086 0.000 0.939 704 Q CB 0.120 28.885 28.738 0.046 0.000 1.063 704 Q HN 0.581 nan 8.270 nan 0.000 0.516 705 Q N 2.214 122.040 119.800 0.043 0.000 2.352 705 Q HA 0.149 4.489 4.340 -0.000 0.000 0.260 705 Q C -2.188 173.737 176.000 -0.124 0.000 0.976 705 Q CA -2.022 53.763 55.803 -0.031 0.000 0.881 705 Q CB -0.046 28.656 28.738 -0.059 0.000 1.235 705 Q HN 0.090 nan 8.270 nan 0.000 0.419 706 P HA -0.121 nan 4.420 nan 0.000 0.260 706 P C -0.315 176.766 177.300 -0.365 0.000 1.207 706 P CA 0.256 63.300 63.100 -0.093 0.000 0.780 706 P CB 0.249 31.979 31.700 0.049 0.000 0.789 707 N N 2.891 121.254 118.700 -0.563 0.000 2.693 707 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 707 N C 1.012 175.792 175.510 -1.217 0.000 1.119 707 N CA 1.550 54.106 53.050 -0.822 0.000 0.717 707 N CB -1.723 36.354 38.487 -0.682 0.000 1.071 707 N HN 0.854 nan 8.380 nan 0.000 0.555 708 G N -0.955 107.020 108.800 -1.375 0.000 2.179 708 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.257 708 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.257 708 G C 0.017 174.711 174.900 -0.343 0.000 1.010 708 G CA 0.532 45.222 45.100 -0.683 0.000 0.736 708 G HN 0.631 nan 8.290 nan 0.000 0.513 709 Y N 0.415 120.602 120.300 -0.189 0.000 2.425 709 Y HA 0.271 4.821 4.550 -0.000 0.000 0.331 709 Y C 2.277 178.117 175.900 -0.099 0.000 1.157 709 Y CA 0.360 58.397 58.100 -0.105 0.000 1.372 709 Y CB 0.941 39.357 38.460 -0.073 0.000 1.253 709 Y HN 0.241 nan 8.280 nan 0.000 0.536 710 T N -2.139 112.477 114.554 0.103 0.000 3.067 710 T HA -0.021 4.329 4.350 -0.000 0.000 0.257 710 T C 1.138 175.791 174.700 -0.078 0.000 1.105 710 T CA 0.689 62.778 62.100 -0.019 0.000 1.104 710 T CB -0.010 68.828 68.868 -0.050 0.000 0.925 710 T HN 0.588 nan 8.240 nan 0.000 0.498 711 E N 2.552 122.714 120.200 -0.062 0.000 2.058 711 E HA -0.033 4.316 4.350 -0.000 0.000 0.194 711 E C -0.538 175.976 176.600 -0.143 0.000 0.997 711 E CA 1.618 57.932 56.400 -0.143 0.000 0.801 711 E CB -1.456 28.086 29.700 -0.264 0.000 0.746 711 E HN 0.440 nan 8.360 nan 0.000 0.450 712 P HA -0.207 nan 4.420 nan 0.000 0.215 712 P C 1.139 178.437 177.300 -0.003 0.000 1.163 712 P CA 1.342 64.420 63.100 -0.037 0.000 0.894 712 P CB 0.015 31.712 31.700 -0.005 0.000 0.791 713 I N -1.926 118.628 120.570 -0.027 0.000 2.233 713 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 713 I C 2.365 178.453 176.117 -0.048 0.000 1.093 713 I CA 1.140 62.423 61.300 -0.028 0.000 1.380 713 I CB -0.629 37.341 38.000 -0.050 0.000 1.067 713 I HN -0.110 nan 8.210 nan 0.000 0.413 714 L N -0.061 121.067 121.223 -0.158 0.000 2.012 714 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 714 L C 2.689 179.543 176.870 -0.028 0.000 1.073 714 L CA 1.650 56.274 54.840 -0.361 0.000 0.748 714 L CB -0.929 40.523 42.059 -1.012 0.000 0.891 714 L HN 0.369 nan 8.230 nan 0.000 0.431 715 H N -0.920 118.132 119.070 -0.029 0.000 2.357 715 H HA -0.176 4.380 4.556 -0.000 0.000 0.301 715 H C 2.467 177.876 175.328 0.136 0.000 1.082 715 H CA 1.354 57.505 56.048 0.172 0.000 1.342 715 H CB 0.156 30.010 29.762 0.153 0.000 1.389 715 H HN 0.245 nan 8.280 nan 0.000 0.511 716 R N 0.885 121.506 120.500 0.203 0.000 2.073 716 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 716 R C 2.345 178.722 176.300 0.129 0.000 1.134 716 R CA 1.050 57.232 56.100 0.136 0.000 0.952 716 R CB 0.145 30.499 30.300 0.090 0.000 0.850 716 R HN 0.115 nan 8.270 nan 0.000 0.433 717 R N 0.300 120.870 120.500 0.116 0.000 2.092 717 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 717 R C 2.261 178.673 176.300 0.185 0.000 1.119 717 R CA 1.212 57.387 56.100 0.125 0.000 0.970 717 R CB -0.626 29.722 30.300 0.081 0.000 0.864 717 R HN 0.155 nan 8.270 nan 0.000 0.440 718 R N 1.484 122.118 120.500 0.224 0.000 2.081 718 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 718 R C 2.103 178.532 176.300 0.215 0.000 1.131 718 R CA 1.587 57.836 56.100 0.249 0.000 0.960 718 R CB -0.303 30.206 30.300 0.349 0.000 0.856 718 R HN 0.124 nan 8.270 nan 0.000 0.436 719 R N 0.024 120.626 120.500 0.171 0.000 2.092 719 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 719 R C 2.268 178.641 176.300 0.123 0.000 1.119 719 R CA 1.499 57.676 56.100 0.128 0.000 0.970 719 R CB -0.364 30.002 30.300 0.110 0.000 0.864 719 R HN 0.447 nan 8.270 nan 0.000 0.440 720 E N 0.491 120.773 120.200 0.136 0.000 2.051 720 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 720 E C 1.681 178.351 176.600 0.116 0.000 0.991 720 E CA 1.116 57.581 56.400 0.110 0.000 0.799 720 E CB -0.093 29.676 29.700 0.114 0.000 0.748 720 E HN 0.244 nan 8.360 nan 0.000 0.449 721 F N 1.679 121.651 119.950 0.037 0.000 2.095 721 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 721 F C 2.144 177.950 175.800 0.011 0.000 1.104 721 F CA 1.684 59.699 58.000 0.024 0.000 1.232 721 F CB -0.022 38.996 39.000 0.031 0.000 0.987 721 F HN -0.126 nan 8.300 nan 0.000 0.475 722 K N 0.149 120.650 120.400 0.169 0.000 2.063 722 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 722 K C 2.297 178.861 176.600 -0.060 0.000 1.048 722 K CA 1.212 57.530 56.287 0.051 0.000 0.928 722 K CB -0.573 31.984 32.500 0.095 0.000 0.713 722 K HN 0.391 nan 8.250 nan 0.000 0.442 723 A N 1.751 124.553 122.820 -0.030 0.000 1.858 723 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 723 A C 2.071 179.599 177.584 -0.094 0.000 1.190 723 A CA 1.268 53.279 52.037 -0.042 0.000 0.617 723 A CB -0.337 18.658 19.000 -0.009 0.000 0.827 723 A HN 0.127 nan 8.150 nan 0.000 0.443 724 R N -0.270 120.148 120.500 -0.137 0.000 2.091 724 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 724 R C 2.353 178.509 176.300 -0.240 0.000 1.136 724 R CA 1.520 57.514 56.100 -0.177 0.000 0.959 724 R CB -1.363 28.815 30.300 -0.204 0.000 0.856 724 R HN 0.539 nan 8.270 nan 0.000 0.437 725 A N 0.896 123.490 122.820 -0.377 0.000 2.070 725 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 725 A C 2.248 179.727 177.584 -0.174 0.000 1.159 725 A CA 1.604 53.436 52.037 -0.343 0.000 0.656 725 A CB -0.329 18.396 19.000 -0.457 0.000 0.800 725 A HN 0.354 nan 8.150 nan 0.000 0.453 726 A N -0.015 122.726 122.820 -0.132 0.000 2.021 726 A HA 0.155 4.475 4.320 -0.000 0.000 0.216 726 A C 1.082 178.627 177.584 -0.065 0.000 1.163 726 A CA 0.860 52.850 52.037 -0.077 0.000 0.676 726 A CB -0.199 18.769 19.000 -0.054 0.000 0.818 726 A HN 0.765 nan 8.150 nan 0.000 0.453 727 E N 0.000 120.156 120.200 -0.074 0.000 2.725 727 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 727 E CA 0.000 56.366 56.400 -0.056 0.000 0.976 727 E CB 0.000 29.672 29.700 -0.048 0.000 0.812 727 E HN 0.000 nan 8.360 nan 0.000 0.440