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 2oa1_1_B DATA FIRST_RESID 2 DATA SEQUENCE SGKIDKILIV GGGTAGWMAA SYLGKALQGT ADITLLQAPD IPTLGVGEAT DATA SEQUENCE IPNLQTAFFD FLGIPEDEWM RECNASYKVA IKFINWRTAG EGTSEARELD DATA SEQUENCE GGPDHFYHSF GLLKYHEQIP LSHYWFDRSY RGKTVEPFDY ACYKEPVILD DATA SEQUENCE ANRSPRRLDG SKVTNYAWHF DAHLVADFLR RFATEKLGVR HVEDRVEHVQ DATA SEQUENCE RDANGNIESV RTATGRVFDA DLFVDCSGFR GLLINKAMEE PFLDMSDHLL DATA SEQUENCE NDSAVATQVP HDDDANGVEP FTSAIAMKSG WTWKIPMLGR FGTGYVYSSR DATA SEQUENCE FATEDEAVRE FCEMWHLDPE TQPLNRIRFR VGRNRRAWVG NCVSIGTSSC DATA SEQUENCE FVEPLESTGI YFVYAALYQL VKHFPDKSLN PVLTARFNRE IETMFDDTRD DATA SEQUENCE FIQAHFYFSP RTDTPFWRAN KELRLADGMQ EKIDMYRAGM AINAPASDDA DATA SEQUENCE QLYYGNFEEE FRNFWNNSNY YCVLAGLGLV PDAPSPRLAH MPQATESVDE DATA SEQUENCE VFGAVKDRQR NLLETLPSLH EFLRQQH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.612 174.600 0.019 0.000 1.055 2 S CA 0.000 58.210 58.200 0.017 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 G N 2.715 111.528 108.800 0.022 0.000 2.555 3 G HA2 0.062 4.023 3.960 0.001 0.000 0.686 3 G HA3 0.062 4.023 3.960 0.001 0.000 0.686 3 G C -0.744 174.176 174.900 0.033 0.000 1.275 3 G CA -0.555 44.560 45.100 0.025 0.000 0.871 3 G HN 0.632 nan 8.290 nan 0.000 0.603 4 K N -0.142 120.282 120.400 0.040 0.000 2.258 4 K HA 0.578 4.899 4.320 0.001 0.000 0.264 4 K C 0.680 177.316 176.600 0.060 0.000 1.007 4 K CA -0.815 55.510 56.287 0.062 0.000 0.941 4 K CB 0.729 33.269 32.500 0.067 0.000 0.966 4 K HN 0.376 nan 8.250 nan 0.000 0.480 5 I N 3.325 123.948 120.570 0.089 0.000 2.742 5 I HA -0.114 4.056 4.170 0.001 0.000 0.287 5 I C 0.509 176.665 176.117 0.066 0.000 1.186 5 I CA 0.525 61.870 61.300 0.075 0.000 1.417 5 I CB -0.007 38.070 38.000 0.129 0.000 1.377 5 I HN 0.796 nan 8.210 nan 0.000 0.556 6 D N 5.501 125.916 120.400 0.025 0.000 2.379 6 D HA 0.097 4.737 4.640 0.001 0.000 0.218 6 D C 0.387 176.682 176.300 -0.008 0.000 1.006 6 D CA 0.860 54.866 54.000 0.011 0.000 0.893 6 D CB 0.711 41.514 40.800 0.006 0.000 1.019 6 D HN 0.483 nan 8.370 nan 0.000 0.503 7 K N 0.558 120.938 120.400 -0.032 0.000 2.427 7 K HA 0.584 4.905 4.320 0.001 0.000 0.252 7 K C -0.745 175.772 176.600 -0.139 0.000 0.931 7 K CA -0.452 55.793 56.287 -0.070 0.000 0.793 7 K CB 3.000 35.459 32.500 -0.069 0.000 1.211 7 K HN -0.169 nan 8.250 nan 0.000 0.426 8 I N 3.339 123.821 120.570 -0.147 0.000 2.465 8 I HA 0.315 4.486 4.170 0.001 0.000 0.291 8 I C -1.207 174.755 176.117 -0.257 0.000 1.014 8 I CA -1.134 60.037 61.300 -0.216 0.000 1.093 8 I CB 1.712 39.647 38.000 -0.108 0.000 1.267 8 I HN 0.327 nan 8.210 nan 0.000 0.431 9 L N 7.872 128.849 121.223 -0.411 0.000 2.305 9 L HA 0.585 4.925 4.340 0.001 0.000 0.284 9 L C -0.789 175.964 176.870 -0.195 0.000 1.013 9 L CA -0.062 54.598 54.840 -0.299 0.000 0.819 9 L CB 1.090 42.966 42.059 -0.304 0.000 1.227 9 L HN 0.402 nan 8.230 nan 0.000 0.417 10 I N 5.712 126.177 120.570 -0.175 0.000 2.331 10 I HA 0.352 4.523 4.170 0.001 0.000 0.292 10 I C -0.619 175.401 176.117 -0.161 0.000 0.998 10 I CA -0.757 60.442 61.300 -0.168 0.000 1.267 10 I CB 1.626 39.484 38.000 -0.237 0.000 1.386 10 I HN 0.240 nan 8.210 nan 0.000 0.476 11 V N 5.679 125.532 119.914 -0.102 0.000 2.347 11 V HA 0.801 4.922 4.120 0.001 0.000 0.280 11 V C 0.346 176.377 176.094 -0.104 0.000 1.021 11 V CA -0.342 61.906 62.300 -0.087 0.000 0.847 11 V CB 0.913 32.723 31.823 -0.022 0.000 0.990 11 V HN 1.063 nan 8.190 nan 0.000 0.444 12 G N 3.607 112.333 108.800 -0.122 0.000 3.069 12 G HA2 0.269 4.230 3.960 0.001 0.000 0.686 12 G HA3 0.269 4.230 3.960 0.001 0.000 0.686 12 G C 0.059 174.829 174.900 -0.216 0.000 1.161 12 G CA -0.305 44.725 45.100 -0.116 0.000 0.804 12 G HN 1.110 nan 8.290 nan 0.000 0.608 13 G N 0.588 109.302 108.800 -0.144 0.000 3.372 13 G HA2 0.933 4.893 3.960 0.001 0.000 0.178 13 G HA3 0.933 4.893 3.960 0.001 0.000 0.178 13 G C 1.541 176.437 174.900 -0.006 0.000 1.817 13 G CA 1.345 46.324 45.100 -0.202 0.000 0.996 13 G HN 2.651 nan 8.290 nan 0.000 0.559 14 G N -1.496 107.428 108.800 0.207 0.000 2.633 14 G HA2 -0.207 3.754 3.960 0.001 0.000 0.263 14 G HA3 -0.207 3.754 3.960 0.001 0.000 0.263 14 G C 1.087 176.138 174.900 0.251 0.000 1.310 14 G CA 0.945 46.184 45.100 0.231 0.000 0.914 14 G HN 1.014 nan 8.290 nan 0.000 0.569 15 T N 0.996 115.663 114.554 0.189 0.000 2.652 15 T HA 0.036 4.387 4.350 0.001 0.000 0.267 15 T C 2.926 177.679 174.700 0.087 0.000 1.039 15 T CA 3.274 65.468 62.100 0.157 0.000 1.153 15 T CB -0.722 68.219 68.868 0.121 0.000 0.863 15 T HN 1.539 nan 8.240 nan 0.000 0.428 16 A N 1.468 124.306 122.820 0.030 0.000 1.883 16 A HA 0.082 4.403 4.320 0.001 0.000 0.217 16 A C 2.658 180.215 177.584 -0.045 0.000 1.186 16 A CA 1.978 54.004 52.037 -0.018 0.000 0.624 16 A CB -1.445 17.538 19.000 -0.027 0.000 0.822 16 A HN 0.521 nan 8.150 nan 0.000 0.444 17 G N -1.777 106.959 108.800 -0.106 0.000 2.418 17 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 17 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 17 G C 1.408 176.091 174.900 -0.362 0.000 1.158 17 G CA 0.894 45.820 45.100 -0.289 0.000 0.771 17 G HN 0.680 nan 8.290 nan 0.000 0.545 18 W N 0.288 121.604 121.300 0.027 0.000 2.518 18 W HA 0.244 4.905 4.660 0.001 0.000 0.273 18 W C 2.833 179.433 176.519 0.136 0.000 1.247 18 W CA -0.008 57.370 57.345 0.056 0.000 1.288 18 W CB -0.081 29.407 29.460 0.048 0.000 1.107 18 W HN 0.095 nan 8.180 nan 0.000 0.586 19 M N 0.092 119.860 119.600 0.281 0.000 2.086 19 M HA -0.193 4.288 4.480 0.001 0.000 0.261 19 M C 2.489 178.978 176.300 0.314 0.000 1.067 19 M CA 2.008 57.481 55.300 0.288 0.000 1.116 19 M CB -0.903 31.656 32.600 -0.069 0.000 1.348 19 M HN 0.064 nan 8.290 nan 0.000 0.407 20 A N 0.543 123.441 122.820 0.130 0.000 1.883 20 A HA -0.146 4.175 4.320 0.001 0.000 0.217 20 A C 2.378 180.033 177.584 0.117 0.000 1.186 20 A CA 2.226 54.314 52.037 0.085 0.000 0.624 20 A CB -1.117 17.864 19.000 -0.032 0.000 0.822 20 A HN 0.520 nan 8.150 nan 0.000 0.444 21 A N -0.746 122.114 122.820 0.067 0.000 1.883 21 A HA -0.093 4.227 4.320 0.001 0.000 0.217 21 A C 2.480 180.180 177.584 0.194 0.000 1.186 21 A CA 2.252 54.337 52.037 0.081 0.000 0.624 21 A CB -0.915 18.108 19.000 0.038 0.000 0.822 21 A HN 0.476 nan 8.150 nan 0.000 0.444 22 S N -1.984 113.905 115.700 0.315 0.000 2.345 22 S HA -0.123 4.347 4.470 0.001 0.000 0.220 22 S C 1.878 176.639 174.600 0.269 0.000 1.031 22 S CA 1.400 59.804 58.200 0.340 0.000 0.996 22 S CB -0.573 62.894 63.200 0.444 0.000 0.882 22 S HN 0.642 nan 8.310 nan 0.000 0.445 23 Y N 2.160 122.583 120.300 0.205 0.000 2.114 23 Y HA -0.093 4.458 4.550 0.001 0.000 0.284 23 Y C 2.038 178.030 175.900 0.153 0.000 1.143 23 Y CA 1.426 59.640 58.100 0.190 0.000 1.135 23 Y CB -0.321 38.243 38.460 0.174 0.000 0.980 23 Y HN 0.128 nan 8.280 nan 0.000 0.499 24 L N -1.072 120.311 121.223 0.266 0.000 2.046 24 L HA -0.178 4.163 4.340 0.001 0.000 0.208 24 L C 2.701 179.576 176.870 0.008 0.000 1.077 24 L CA 1.230 56.126 54.840 0.092 0.000 0.747 24 L CB -1.297 40.794 42.059 0.053 0.000 0.896 24 L HN 0.367 nan 8.230 nan 0.000 0.432 25 G N 0.212 109.030 108.800 0.029 0.000 2.440 25 G HA2 -0.323 3.638 3.960 0.001 0.000 0.218 25 G HA3 -0.323 3.638 3.960 0.001 0.000 0.218 25 G C 1.680 176.539 174.900 -0.067 0.000 1.154 25 G CA 1.068 46.151 45.100 -0.027 0.000 0.767 25 G HN 0.207 nan 8.290 nan 0.000 0.552 26 K N 0.940 121.312 120.400 -0.047 0.000 2.007 26 K HA 0.217 4.538 4.320 0.001 0.000 0.206 26 K C 2.745 179.243 176.600 -0.169 0.000 1.047 26 K CA 1.494 57.698 56.287 -0.138 0.000 0.937 26 K CB -0.694 31.692 32.500 -0.190 0.000 0.718 26 K HN 0.145 nan 8.250 nan 0.000 0.438 27 A N 0.384 123.177 122.820 -0.046 0.000 1.940 27 A HA -0.056 4.265 4.320 0.001 0.000 0.219 27 A C 1.742 179.252 177.584 -0.123 0.000 1.176 27 A CA 1.650 53.685 52.037 -0.003 0.000 0.631 27 A CB -0.499 18.523 19.000 0.037 0.000 0.814 27 A HN 0.331 nan 8.150 nan 0.000 0.446 28 L N -0.765 120.366 121.223 -0.154 0.000 2.818 28 L HA 0.192 4.533 4.340 0.001 0.000 0.243 28 L C 0.719 177.514 176.870 -0.125 0.000 1.185 28 L CA -0.413 54.321 54.840 -0.177 0.000 0.988 28 L CB -0.269 41.650 42.059 -0.233 0.000 1.292 28 L HN 0.417 nan 8.230 nan 0.000 0.519 29 Q N 1.654 121.382 119.800 -0.120 0.000 2.687 29 Q HA -0.015 4.326 4.340 0.001 0.000 0.341 29 Q C 1.361 177.307 176.000 -0.089 0.000 1.074 29 Q CA 1.317 57.056 55.803 -0.108 0.000 1.115 29 Q CB 0.193 28.857 28.738 -0.124 0.000 0.996 29 Q HN 0.507 nan 8.270 nan 0.000 0.397 30 G N 2.546 111.300 108.800 -0.076 0.000 2.184 30 G HA2 -0.319 3.642 3.960 0.001 0.000 0.264 30 G HA3 -0.319 3.642 3.960 0.001 0.000 0.264 30 G C 0.472 175.342 174.900 -0.050 0.000 0.975 30 G CA 0.727 45.791 45.100 -0.060 0.000 0.642 30 G HN 0.874 nan 8.290 nan 0.000 0.536 31 T N -3.677 110.844 114.554 -0.055 0.000 3.091 31 T HA 0.749 5.099 4.350 0.001 0.000 0.277 31 T C 0.395 175.076 174.700 -0.031 0.000 0.996 31 T CA 1.024 63.099 62.100 -0.041 0.000 0.897 31 T CB 0.997 69.838 68.868 -0.045 0.000 1.109 31 T HN 1.882 nan 8.240 nan 0.000 0.534 32 A N 0.768 123.565 122.820 -0.038 0.000 2.517 32 A HA 0.615 4.935 4.320 0.001 0.000 0.297 32 A C -1.789 175.777 177.584 -0.030 0.000 1.050 32 A CA -0.785 51.238 52.037 -0.024 0.000 0.694 32 A CB 1.238 20.226 19.000 -0.019 0.000 1.277 32 A HN 0.173 nan 8.150 nan 0.000 0.400 33 D N 1.932 122.318 120.400 -0.023 0.000 2.295 33 D HA 0.466 5.107 4.640 0.001 0.000 0.248 33 D C -0.364 175.918 176.300 -0.031 0.000 1.154 33 D CA 0.622 54.608 54.000 -0.022 0.000 0.857 33 D CB 1.020 41.813 40.800 -0.011 0.000 1.117 33 D HN 0.432 nan 8.370 nan 0.000 0.468 34 I N 1.777 122.329 120.570 -0.030 0.000 2.378 34 I HA 0.207 4.378 4.170 0.001 0.000 0.291 34 I C 0.140 176.236 176.117 -0.034 0.000 0.992 34 I CA -0.430 60.843 61.300 -0.045 0.000 1.154 34 I CB 1.828 39.803 38.000 -0.041 0.000 1.315 34 I HN 0.017 nan 8.210 nan 0.000 0.448 35 T N 6.984 121.499 114.554 -0.064 0.000 2.829 35 T HA 0.513 4.864 4.350 0.001 0.000 0.280 35 T C -0.599 174.013 174.700 -0.146 0.000 0.999 35 T CA -0.459 61.601 62.100 -0.068 0.000 0.983 35 T CB 1.872 70.710 68.868 -0.050 0.000 0.968 35 T HN 0.349 nan 8.240 nan 0.000 0.446 36 L N 4.068 125.201 121.223 -0.151 0.000 2.313 36 L HA 0.695 5.036 4.340 0.001 0.000 0.283 36 L C -1.370 175.407 176.870 -0.154 0.000 1.013 36 L CA -1.044 53.637 54.840 -0.265 0.000 0.816 36 L CB 1.018 42.705 42.059 -0.621 0.000 1.236 36 L HN 0.450 nan 8.230 nan 0.000 0.419 37 L N 5.569 126.668 121.223 -0.207 0.000 2.287 37 L HA 0.518 4.859 4.340 0.001 0.000 0.287 37 L C -0.770 176.048 176.870 -0.086 0.000 1.022 37 L CA 0.219 54.946 54.840 -0.188 0.000 0.814 37 L CB 1.492 43.367 42.059 -0.307 0.000 1.217 37 L HN 0.766 nan 8.230 nan 0.000 0.420 38 Q N 4.602 124.410 119.800 0.014 0.000 2.309 38 Q HA 0.840 5.181 4.340 0.001 0.000 0.273 38 Q C -1.647 174.397 176.000 0.074 0.000 1.040 38 Q CA -0.891 54.948 55.803 0.059 0.000 0.834 38 Q CB 1.583 30.406 28.738 0.142 0.000 1.345 38 Q HN 0.766 nan 8.270 nan 0.000 0.414 39 A N 3.399 126.250 122.820 0.051 0.000 2.331 39 A HA 0.648 4.969 4.320 0.001 0.000 0.283 39 A C -2.294 175.332 177.584 0.070 0.000 1.142 39 A CA -1.452 50.615 52.037 0.050 0.000 0.812 39 A CB -0.114 18.908 19.000 0.036 0.000 1.074 39 A HN 0.625 nan 8.150 nan 0.000 0.497 40 P HA 0.276 nan 4.420 nan 0.000 0.271 40 P C -0.912 176.417 177.300 0.049 0.000 1.220 40 P CA 0.239 63.378 63.100 0.066 0.000 0.768 40 P CB 0.692 32.424 31.700 0.053 0.000 0.848 41 D N 1.746 122.175 120.400 0.048 0.000 2.423 41 D HA 0.304 4.945 4.640 0.001 0.000 0.235 41 D C 0.398 176.716 176.300 0.029 0.000 1.011 41 D CA -0.546 53.477 54.000 0.038 0.000 0.963 41 D CB 1.257 42.082 40.800 0.042 0.000 1.349 41 D HN 0.136 nan 8.370 nan 0.000 0.508 42 I N 2.803 123.389 120.570 0.026 0.000 2.828 42 I HA -0.019 4.152 4.170 0.001 0.000 0.292 42 I C -1.651 174.476 176.117 0.017 0.000 1.206 42 I CA -0.541 60.771 61.300 0.021 0.000 1.420 42 I CB -0.933 37.082 38.000 0.024 0.000 1.368 42 I HN 0.058 nan 8.210 nan 0.000 0.556 43 P HA 0.271 nan 4.420 nan 0.000 0.276 43 P C -0.386 176.910 177.300 -0.006 0.000 1.244 43 P CA -0.320 62.754 63.100 -0.044 0.000 0.801 43 P CB 0.823 32.469 31.700 -0.090 0.000 1.006 44 T N -1.178 113.382 114.554 0.012 0.000 2.925 44 T HA 0.506 4.856 4.350 0.001 0.000 0.285 44 T C 0.508 175.317 174.700 0.182 0.000 1.021 44 T CA -0.988 61.186 62.100 0.125 0.000 1.042 44 T CB 0.451 69.448 68.868 0.216 0.000 1.037 44 T HN 0.186 nan 8.240 nan 0.000 0.481 45 L N 1.618 122.945 121.223 0.173 0.000 2.573 45 L HA 0.302 4.643 4.340 0.001 0.000 0.290 45 L C 1.398 178.443 176.870 0.292 0.000 1.247 45 L CA 0.122 55.075 54.840 0.188 0.000 0.876 45 L CB 0.054 42.195 42.059 0.137 0.000 1.123 45 L HN 1.026 nan 8.230 nan 0.000 0.505 46 G N 2.335 111.298 108.800 0.273 0.000 2.444 46 G HA2 0.360 4.321 3.960 0.001 0.000 0.303 46 G HA3 0.360 4.321 3.960 0.001 0.000 0.303 46 G C 0.736 175.741 174.900 0.174 0.000 1.032 46 G CA -0.219 45.013 45.100 0.220 0.000 1.137 46 G HN 0.659 nan 8.290 nan 0.000 0.430 47 V N 0.979 121.016 119.914 0.205 0.000 3.647 47 V HA 0.619 4.740 4.120 0.001 0.000 0.279 47 V C 1.055 177.378 176.094 0.381 0.000 1.314 47 V CA 0.121 62.616 62.300 0.325 0.000 1.125 47 V CB -1.030 31.071 31.823 0.464 0.000 0.907 47 V HN 1.673 nan 8.190 nan 0.000 0.434 48 G N 0.142 109.048 108.800 0.176 0.000 2.712 48 G HA2 -0.013 3.948 3.960 0.001 0.000 0.686 48 G HA3 -0.013 3.948 3.960 0.001 0.000 0.686 48 G C -0.939 173.899 174.900 -0.104 0.000 1.181 48 G CA -0.439 44.706 45.100 0.076 0.000 0.762 48 G HN 0.467 nan 8.290 nan 0.000 0.641 49 E N -0.229 119.856 120.200 -0.191 0.000 2.272 49 E HA 0.671 5.022 4.350 0.001 0.000 0.269 49 E C 0.130 176.543 176.600 -0.311 0.000 0.877 49 E CA -0.326 55.891 56.400 -0.305 0.000 0.755 49 E CB 2.296 31.792 29.700 -0.341 0.000 1.192 49 E HN 1.286 nan 8.360 nan 0.000 0.422 50 A N 1.666 124.406 122.820 -0.134 0.000 2.340 50 A HA 0.810 5.131 4.320 0.001 0.000 0.331 50 A C 0.040 177.676 177.584 0.087 0.000 1.140 50 A CA -0.394 51.702 52.037 0.099 0.000 0.801 50 A CB 1.235 20.361 19.000 0.210 0.000 1.234 50 A HN 0.635 nan 8.150 nan 0.000 0.469 51 T N -1.369 113.312 114.554 0.212 0.000 2.742 51 T HA 0.786 5.136 4.350 0.001 0.000 0.282 51 T C -0.194 174.692 174.700 0.311 0.000 1.025 51 T CA -0.234 62.047 62.100 0.300 0.000 1.020 51 T CB 0.798 69.957 68.868 0.484 0.000 1.317 51 T HN 1.319 nan 8.240 nan 0.000 0.538 52 I N -2.854 117.878 120.570 0.271 0.000 2.892 52 I HA 0.591 4.762 4.170 0.001 0.000 0.306 52 I C -2.577 173.480 176.117 -0.099 0.000 1.078 52 I CA -3.354 57.924 61.300 -0.037 0.000 1.032 52 I CB 2.245 40.311 38.000 0.111 0.000 1.229 52 I HN 0.280 nan 8.210 nan 0.000 0.435 53 P HA -0.152 nan 4.420 nan 0.000 0.218 53 P C 0.829 178.150 177.300 0.035 0.000 1.148 53 P CA 1.545 64.353 63.100 -0.486 0.000 0.822 53 P CB -0.209 30.771 31.700 -1.200 0.000 0.784 54 N N -0.320 118.464 118.700 0.140 0.000 2.573 54 N HA -0.122 4.619 4.740 0.001 0.000 0.187 54 N C 1.433 177.062 175.510 0.198 0.000 1.107 54 N CA 0.478 53.705 53.050 0.296 0.000 0.918 54 N CB -1.460 37.328 38.487 0.500 0.000 0.966 54 N HN 0.063 nan 8.380 nan 0.000 0.448 55 L N 0.225 121.591 121.223 0.239 0.000 2.013 55 L HA -0.234 4.107 4.340 0.001 0.000 0.212 55 L C 2.449 179.256 176.870 -0.105 0.000 1.073 55 L CA 1.957 56.752 54.840 -0.075 0.000 0.753 55 L CB -0.992 41.180 42.059 0.187 0.000 0.890 55 L HN 0.262 nan 8.230 nan 0.000 0.432 56 Q N -0.941 118.908 119.800 0.082 0.000 2.049 56 Q HA -0.139 4.202 4.340 0.001 0.000 0.198 56 Q C 2.213 178.281 176.000 0.114 0.000 0.971 56 Q CA 2.565 58.447 55.803 0.132 0.000 0.833 56 Q CB -0.504 28.379 28.738 0.242 0.000 0.896 56 Q HN 0.709 nan 8.270 nan 0.000 0.434 57 T N -2.662 111.964 114.554 0.121 0.000 2.942 57 T HA 0.165 4.516 4.350 0.001 0.000 0.265 57 T C 1.657 176.402 174.700 0.075 0.000 1.062 57 T CA 0.893 63.063 62.100 0.117 0.000 1.139 57 T CB -0.186 68.777 68.868 0.157 0.000 0.883 57 T HN 0.248 nan 8.240 nan 0.000 0.468 58 A N -0.867 121.944 122.820 -0.015 0.000 2.140 58 A HA 0.550 4.871 4.320 0.001 0.000 0.209 58 A C 1.585 179.070 177.584 -0.166 0.000 1.181 58 A CA -0.098 51.845 52.037 -0.157 0.000 0.824 58 A CB -0.322 18.424 19.000 -0.423 0.000 0.879 58 A HN 0.446 nan 8.150 nan 0.000 0.480 59 F N -1.513 118.161 119.950 -0.459 0.000 2.515 59 F HA 0.307 4.834 4.527 0.001 0.000 0.267 59 F C 1.609 177.217 175.800 -0.321 0.000 0.923 59 F CA 0.375 58.072 58.000 -0.505 0.000 1.107 59 F CB -0.289 38.088 39.000 -1.039 0.000 1.175 59 F HN 0.109 nan 8.300 nan 0.000 0.742 60 F N 1.529 121.289 119.950 -0.318 0.000 2.171 60 F HA -0.151 4.377 4.527 0.001 0.000 0.300 60 F C 2.221 177.881 175.800 -0.233 0.000 1.090 60 F CA 1.586 59.356 58.000 -0.383 0.000 1.293 60 F CB -0.893 37.889 39.000 -0.364 0.000 1.013 60 F HN 0.052 nan 8.300 nan 0.000 0.486 61 D N -0.597 119.832 120.400 0.049 0.000 2.144 61 D HA -0.198 4.443 4.640 0.001 0.000 0.199 61 D C 2.093 178.386 176.300 -0.012 0.000 0.984 61 D CA 0.919 54.940 54.000 0.034 0.000 0.834 61 D CB -0.620 40.221 40.800 0.070 0.000 0.955 61 D HN 0.232 nan 8.370 nan 0.000 0.465 62 F N 1.087 120.931 119.950 -0.177 0.000 2.134 62 F HA -0.085 4.443 4.527 0.001 0.000 0.299 62 F C 1.977 177.606 175.800 -0.285 0.000 1.097 62 F CA 1.081 58.942 58.000 -0.231 0.000 1.264 62 F CB -0.117 38.714 39.000 -0.282 0.000 1.001 62 F HN -0.104 nan 8.300 nan 0.000 0.479 63 L N -0.230 120.815 121.223 -0.296 0.000 2.376 63 L HA 0.094 4.435 4.340 0.001 0.000 0.219 63 L C 1.750 178.494 176.870 -0.210 0.000 1.133 63 L CA 0.829 55.479 54.840 -0.316 0.000 0.816 63 L CB -1.118 40.647 42.059 -0.490 0.000 0.933 63 L HN 0.461 nan 8.230 nan 0.000 0.449 64 G N 0.984 109.679 108.800 -0.174 0.000 2.137 64 G HA2 -0.272 3.689 3.960 0.001 0.000 0.237 64 G HA3 -0.272 3.689 3.960 0.001 0.000 0.237 64 G C 0.059 174.921 174.900 -0.063 0.000 1.002 64 G CA -0.248 44.795 45.100 -0.095 0.000 0.702 64 G HN 0.300 nan 8.290 nan 0.000 0.515 65 I N 1.671 122.201 120.570 -0.066 0.000 2.307 65 I HA 0.295 4.465 4.170 0.001 0.000 0.289 65 I C -1.954 174.192 176.117 0.047 0.000 1.021 65 I CA -2.443 58.850 61.300 -0.012 0.000 1.224 65 I CB 1.556 39.556 38.000 0.001 0.000 1.376 65 I HN -0.152 nan 8.210 nan 0.000 0.470 66 P HA -0.032 nan 4.420 nan 0.000 0.266 66 P C 0.760 178.038 177.300 -0.038 0.000 1.195 66 P CA 0.027 63.132 63.100 0.008 0.000 0.768 66 P CB 0.730 32.421 31.700 -0.016 0.000 0.838 67 E N 1.961 122.140 120.200 -0.034 0.000 2.086 67 E HA -0.323 4.028 4.350 0.001 0.000 0.200 67 E C 0.892 177.148 176.600 -0.573 0.000 1.012 67 E CA 1.708 57.965 56.400 -0.237 0.000 0.812 67 E CB -0.136 29.574 29.700 0.017 0.000 0.743 67 E HN 0.393 nan 8.360 nan 0.000 0.453 68 D N 0.164 120.389 120.400 -0.291 0.000 2.158 68 D HA -0.204 4.437 4.640 0.001 0.000 0.197 68 D C 1.773 177.856 176.300 -0.362 0.000 0.995 68 D CA 1.270 55.092 54.000 -0.296 0.000 0.846 68 D CB -0.229 40.479 40.800 -0.153 0.000 0.941 68 D HN 0.410 nan 8.370 nan 0.000 0.456 69 E N 0.115 120.143 120.200 -0.287 0.000 2.015 69 E HA -0.131 4.220 4.350 0.001 0.000 0.191 69 E C 2.337 178.711 176.600 -0.376 0.000 0.991 69 E CA 1.101 57.382 56.400 -0.199 0.000 0.802 69 E CB -0.297 29.385 29.700 -0.030 0.000 0.759 69 E HN 0.492 nan 8.360 nan 0.000 0.447 70 W N 1.584 122.473 121.300 -0.686 0.000 2.388 70 W HA -0.161 4.499 4.660 0.001 0.000 0.294 70 W C 1.947 177.943 176.519 -0.871 0.000 1.212 70 W CA 1.183 57.766 57.345 -1.269 0.000 1.271 70 W CB -0.695 27.716 29.460 -1.749 0.000 1.126 70 W HN 0.151 nan 8.180 nan 0.000 0.535 71 M N 1.384 120.083 119.600 -1.501 0.000 2.229 71 M HA 0.091 4.571 4.480 0.001 0.000 0.264 71 M C 2.132 178.170 176.300 -0.436 0.000 1.063 71 M CA 1.780 56.333 55.300 -1.245 0.000 1.114 71 M CB -0.792 30.979 32.600 -1.382 0.000 1.387 71 M HN -0.189 nan 8.290 nan 0.000 0.420 72 R N 0.399 120.674 120.500 -0.374 0.000 2.119 72 R HA 0.028 4.369 4.340 0.001 0.000 0.222 72 R C 2.101 178.366 176.300 -0.058 0.000 1.088 72 R CA 1.200 57.227 56.100 -0.121 0.000 0.984 72 R CB -0.284 29.916 30.300 -0.166 0.000 0.884 72 R HN 0.535 nan 8.270 nan 0.000 0.447 73 E N -0.084 120.027 120.200 -0.148 0.000 2.204 73 E HA -0.132 4.219 4.350 0.001 0.000 0.194 73 E C 1.352 177.926 176.600 -0.043 0.000 0.989 73 E CA 0.935 57.297 56.400 -0.062 0.000 0.824 73 E CB 0.136 29.802 29.700 -0.058 0.000 0.756 73 E HN 0.345 nan 8.360 nan 0.000 0.477 74 C N 1.058 120.298 119.300 -0.100 0.000 2.974 74 C HA 0.190 4.651 4.460 0.001 0.000 0.282 74 C C 0.278 175.294 174.990 0.044 0.000 1.292 74 C CA -0.778 58.232 59.018 -0.014 0.000 1.710 74 C CB -1.059 26.652 27.740 -0.048 0.000 2.036 74 C HN 0.335 nan 8.230 nan 0.000 0.629 75 N N 1.348 120.048 118.700 0.001 0.000 2.714 75 N HA -0.169 4.572 4.740 0.001 0.000 0.252 75 N C 0.004 175.476 175.510 -0.063 0.000 1.014 75 N CA 1.131 54.116 53.050 -0.108 0.000 0.735 75 N CB -1.070 37.365 38.487 -0.087 0.000 0.924 75 N HN 0.729 nan 8.380 nan 0.000 0.540 76 A N -0.665 122.198 122.820 0.072 0.000 2.322 76 A HA 0.650 4.970 4.320 0.001 0.000 0.269 76 A C 0.778 178.433 177.584 0.118 0.000 1.094 76 A CA 0.126 52.284 52.037 0.202 0.000 0.807 76 A CB 1.070 20.205 19.000 0.226 0.000 1.047 76 A HN 0.298 nan 8.150 nan 0.000 0.487 77 S N -0.886 114.905 115.700 0.151 0.000 2.798 77 S HA 0.757 5.228 4.470 0.001 0.000 0.312 77 S C -1.351 173.200 174.600 -0.082 0.000 1.122 77 S CA -0.425 57.765 58.200 -0.018 0.000 0.949 77 S CB 0.409 63.675 63.200 0.110 0.000 1.235 77 S HN 0.455 nan 8.310 nan 0.000 0.552 78 Y N 1.448 121.757 120.300 0.016 0.000 2.420 78 Y HA 0.574 5.125 4.550 0.002 0.000 0.334 78 Y C 0.325 176.032 175.900 -0.322 0.000 1.094 78 Y CA -0.818 57.162 58.100 -0.199 0.000 1.126 78 Y CB 1.141 39.407 38.460 -0.323 0.000 1.217 78 Y HN 0.506 nan 8.280 nan 0.000 0.462 79 K N 1.665 121.961 120.400 -0.173 0.000 2.463 79 K HA 0.562 4.882 4.320 0.001 0.000 0.255 79 K C -0.954 175.719 176.600 0.121 0.000 0.942 79 K CA -0.340 55.840 56.287 -0.178 0.000 0.814 79 K CB 1.373 33.680 32.500 -0.321 0.000 1.122 79 K HN 0.593 nan 8.250 nan 0.000 0.425 80 V N 1.971 121.957 119.914 0.120 0.000 3.621 80 V HA 0.339 4.460 4.120 0.001 0.000 0.263 80 V C 0.162 176.198 176.094 -0.098 0.000 1.272 80 V CA 0.677 63.047 62.300 0.117 0.000 1.080 80 V CB 0.444 32.285 31.823 0.030 0.000 0.816 80 V HN 0.839 nan 8.190 nan 0.000 0.451 81 A N -0.424 122.315 122.820 -0.136 0.000 2.544 81 A HA 0.699 5.019 4.320 0.001 0.000 0.291 81 A C -1.556 175.967 177.584 -0.101 0.000 1.055 81 A CA -0.554 51.307 52.037 -0.293 0.000 0.651 81 A CB 0.828 19.748 19.000 -0.134 0.000 1.296 81 A HN 0.068 nan 8.150 nan 0.000 0.431 82 I N 1.099 121.570 120.570 -0.165 0.000 2.336 82 I HA 0.369 4.540 4.170 0.001 0.000 0.292 82 I C 0.282 176.230 176.117 -0.280 0.000 0.991 82 I CA -0.362 60.820 61.300 -0.197 0.000 1.227 82 I CB 1.668 39.452 38.000 -0.361 0.000 1.366 82 I HN 0.603 nan 8.210 nan 0.000 0.466 83 K N 6.907 127.089 120.400 -0.363 0.000 2.281 83 K HA 0.406 4.727 4.320 0.001 0.000 0.272 83 K C -1.287 174.925 176.600 -0.647 0.000 1.048 83 K CA -0.500 55.401 56.287 -0.643 0.000 0.898 83 K CB 0.603 32.573 32.500 -0.883 0.000 1.128 83 K HN 0.321 nan 8.250 nan 0.000 0.460 84 F N 5.744 125.270 119.950 -0.707 0.000 2.421 84 F HA 0.326 4.854 4.527 0.001 0.000 0.358 84 F C 0.283 175.890 175.800 -0.322 0.000 1.115 84 F CA -0.492 57.075 58.000 -0.721 0.000 1.160 84 F CB 0.610 38.574 39.000 -1.726 0.000 1.123 84 F HN 0.256 nan 8.300 nan 0.000 0.508 85 I N 4.601 125.336 120.570 0.274 0.000 2.362 85 I HA 0.262 4.433 4.170 0.001 0.000 0.289 85 I C -0.261 176.055 176.117 0.331 0.000 0.994 85 I CA -0.627 60.824 61.300 0.253 0.000 1.158 85 I CB 1.111 39.192 38.000 0.136 0.000 1.315 85 I HN 0.614 nan 8.210 nan 0.000 0.451 86 N N 3.850 122.692 118.700 0.237 0.000 2.869 86 N HA -0.203 4.538 4.740 0.001 0.000 0.249 86 N C 0.049 175.561 175.510 0.003 0.000 1.104 86 N CA 0.796 53.897 53.050 0.084 0.000 0.760 86 N CB -1.209 37.277 38.487 -0.002 0.000 1.108 86 N HN 0.719 nan 8.380 nan 0.000 0.555 87 W N 0.480 121.789 121.300 0.016 0.000 2.937 87 W HA 0.156 4.817 4.660 0.002 0.000 0.245 87 W C 1.862 178.274 176.519 -0.178 0.000 1.306 87 W CA 0.425 57.733 57.345 -0.062 0.000 1.470 87 W CB 0.150 29.683 29.460 0.122 0.000 1.132 87 W HN 0.115 nan 8.180 nan 0.000 0.675 88 R N -0.909 119.637 120.500 0.076 0.000 2.476 88 R HA 0.142 4.483 4.340 0.001 0.000 0.276 88 R C 0.285 176.543 176.300 -0.069 0.000 0.941 88 R CA 0.430 56.529 56.100 -0.002 0.000 1.088 88 R CB 0.440 30.772 30.300 0.054 0.000 1.216 88 R HN -0.093 nan 8.270 nan 0.000 0.533 89 T N -2.044 112.449 114.554 -0.101 0.000 2.900 89 T HA 0.718 5.069 4.350 0.001 0.000 0.295 89 T C -0.190 174.424 174.700 -0.144 0.000 1.044 89 T CA -0.968 61.075 62.100 -0.094 0.000 0.995 89 T CB 2.305 71.146 68.868 -0.045 0.000 1.072 89 T HN 0.056 nan 8.240 nan 0.000 0.473 90 A N 1.281 124.036 122.820 -0.110 0.000 2.425 90 A HA 0.858 5.179 4.320 0.001 0.000 0.249 90 A C 0.952 178.499 177.584 -0.062 0.000 1.084 90 A CA 0.383 52.363 52.037 -0.094 0.000 0.781 90 A CB -0.432 18.536 19.000 -0.054 0.000 1.019 90 A HN 2.056 nan 8.150 nan 0.000 0.490 91 G N 0.738 109.512 108.800 -0.042 0.000 2.362 91 G HA2 0.336 4.297 3.960 0.001 0.000 0.288 91 G HA3 0.336 4.297 3.960 0.001 0.000 0.288 91 G C -1.070 173.820 174.900 -0.016 0.000 1.305 91 G CA -0.866 44.219 45.100 -0.024 0.000 0.910 91 G HN 0.694 nan 8.290 nan 0.000 0.518 92 E N -0.226 119.956 120.200 -0.029 0.000 2.409 92 E HA 0.412 4.763 4.350 0.001 0.000 0.257 92 E C 1.033 177.579 176.600 -0.089 0.000 1.150 92 E CA 0.449 56.819 56.400 -0.049 0.000 0.942 92 E CB 0.459 30.122 29.700 -0.061 0.000 0.979 92 E HN 0.979 nan 8.360 nan 0.000 0.447 93 G N 0.762 109.477 108.800 -0.141 0.000 2.346 93 G HA2 0.210 4.171 3.960 0.001 0.000 0.275 93 G HA3 0.210 4.171 3.960 0.001 0.000 0.275 93 G C -0.087 174.650 174.900 -0.271 0.000 1.190 93 G CA 0.188 45.150 45.100 -0.229 0.000 1.015 93 G HN 0.239 nan 8.290 nan 0.000 0.441 94 T N 0.002 114.408 114.554 -0.246 0.000 2.909 94 T HA 0.437 4.787 4.350 0.001 0.000 0.299 94 T C 1.490 176.015 174.700 -0.292 0.000 1.073 94 T CA 0.124 62.064 62.100 -0.268 0.000 0.999 94 T CB 1.452 70.228 68.868 -0.153 0.000 1.098 94 T HN 0.593 nan 8.240 nan 0.000 0.477 95 S N 2.113 117.588 115.700 -0.375 0.000 2.489 95 S HA 0.094 4.565 4.470 0.001 0.000 0.228 95 S C 0.396 174.946 174.600 -0.084 0.000 0.995 95 S CA 0.139 58.158 58.200 -0.303 0.000 0.934 95 S CB -0.125 62.836 63.200 -0.399 0.000 0.771 95 S HN 0.718 nan 8.310 nan 0.000 0.522 96 E N 2.290 122.454 120.200 -0.060 0.000 2.229 96 E HA 0.539 4.889 4.350 0.001 0.000 0.283 96 E C -0.217 176.388 176.600 0.009 0.000 1.030 96 E CA -0.204 56.196 56.400 -0.000 0.000 0.836 96 E CB 1.137 30.841 29.700 0.007 0.000 1.068 96 E HN 0.400 nan 8.360 nan 0.000 0.401 97 A N 4.777 127.624 122.820 0.045 0.000 2.520 97 A HA 0.063 4.384 4.320 0.001 0.000 0.245 97 A C 0.601 178.209 177.584 0.041 0.000 1.072 97 A CA 0.021 52.094 52.037 0.061 0.000 0.761 97 A CB 0.108 19.178 19.000 0.117 0.000 1.004 97 A HN 0.503 nan 8.150 nan 0.000 0.499 98 R N 0.995 121.510 120.500 0.025 0.000 2.726 98 R HA 0.177 4.517 4.340 0.001 0.000 0.272 98 R C 0.442 176.752 176.300 0.016 0.000 1.097 98 R CA -0.461 55.646 56.100 0.011 0.000 1.198 98 R CB 0.460 30.757 30.300 -0.004 0.000 1.114 98 R HN 0.832 nan 8.270 nan 0.000 0.550 99 E N 1.811 122.015 120.200 0.006 0.000 2.301 99 E HA 0.173 4.524 4.350 0.001 0.000 0.275 99 E C -1.450 175.147 176.600 -0.005 0.000 1.030 99 E CA -0.462 55.939 56.400 0.001 0.000 0.852 99 E CB 1.171 30.870 29.700 -0.001 0.000 1.060 99 E HN 0.231 nan 8.360 nan 0.000 0.401 100 L N 4.293 125.510 121.223 -0.011 0.000 2.516 100 L HA 0.281 4.622 4.340 0.001 0.000 0.267 100 L C -1.117 175.742 176.870 -0.018 0.000 0.957 100 L CA -0.183 54.650 54.840 -0.011 0.000 0.860 100 L CB 1.475 43.532 42.059 -0.004 0.000 1.265 100 L HN 0.543 nan 8.230 nan 0.000 0.403 101 D N 4.494 124.885 120.400 -0.015 0.000 2.708 101 D HA -0.181 4.460 4.640 0.001 0.000 0.236 101 D C 1.102 177.387 176.300 -0.025 0.000 1.146 101 D CA 1.830 55.819 54.000 -0.017 0.000 0.662 101 D CB -1.075 39.718 40.800 -0.011 0.000 1.059 101 D HN 1.408 nan 8.370 nan 0.000 0.428 102 G N -1.986 106.800 108.800 -0.024 0.000 2.176 102 G HA2 -0.047 3.913 3.960 0.001 0.000 0.253 102 G HA3 -0.047 3.913 3.960 0.001 0.000 0.253 102 G C 0.565 175.444 174.900 -0.034 0.000 0.979 102 G CA 0.435 45.519 45.100 -0.026 0.000 0.641 102 G HN 1.135 nan 8.290 nan 0.000 0.530 103 G N -0.855 107.919 108.800 -0.044 0.000 2.788 103 G HA2 0.815 4.775 3.960 0.001 0.000 0.293 103 G HA3 0.815 4.775 3.960 0.001 0.000 0.293 103 G C -3.131 171.739 174.900 -0.049 0.000 1.392 103 G CA -0.435 44.631 45.100 -0.055 0.000 0.810 103 G HN 0.234 nan 8.290 nan 0.000 0.508 104 P HA 0.167 nan 4.420 nan 0.000 0.271 104 P C -0.853 176.407 177.300 -0.067 0.000 1.218 104 P CA -0.100 63.002 63.100 0.004 0.000 0.780 104 P CB 1.133 32.922 31.700 0.148 0.000 0.901 105 D N 2.766 123.174 120.400 0.014 0.000 2.498 105 D HA 0.024 4.665 4.640 0.001 0.000 0.229 105 D C -0.180 176.185 176.300 0.109 0.000 1.188 105 D CA 0.176 54.202 54.000 0.042 0.000 1.028 105 D CB -0.769 40.069 40.800 0.064 0.000 1.087 105 D HN 0.429 nan 8.370 nan 0.000 0.510 106 H N 0.607 119.721 119.070 0.073 0.000 2.961 106 H HA 0.550 5.106 4.556 0.001 0.000 0.371 106 H C -1.278 174.091 175.328 0.069 0.000 1.190 106 H CA -1.064 54.959 56.048 -0.041 0.000 1.138 106 H CB 0.841 30.468 29.762 -0.225 0.000 1.816 106 H HN 0.127 nan 8.280 nan 0.000 0.551 107 F N -0.236 119.732 119.950 0.030 0.000 2.643 107 F HA 0.635 5.163 4.527 0.001 0.000 0.314 107 F C -2.128 173.607 175.800 -0.108 0.000 1.096 107 F CA -1.369 56.635 58.000 0.007 0.000 0.953 107 F CB 1.292 40.290 39.000 -0.004 0.000 1.345 107 F HN 0.361 nan 8.300 nan 0.000 0.468 108 Y N 0.317 120.709 120.300 0.154 0.000 2.360 108 Y HA 0.346 4.897 4.550 0.002 0.000 0.337 108 Y C -0.319 175.621 175.900 0.066 0.000 1.039 108 Y CA -0.673 57.405 58.100 -0.037 0.000 1.109 108 Y CB 1.239 39.558 38.460 -0.235 0.000 1.201 108 Y HN 0.776 nan 8.280 nan 0.000 0.458 109 H N 2.621 121.768 119.070 0.129 0.000 2.724 109 H HA 0.441 4.998 4.556 0.001 0.000 0.278 109 H C -0.754 174.453 175.328 -0.201 0.000 1.159 109 H CA -0.493 55.572 56.048 0.028 0.000 1.254 109 H CB 0.428 30.329 29.762 0.233 0.000 1.412 109 H HN 0.705 nan 8.280 nan 0.000 0.488 110 S N 3.767 119.295 115.700 -0.288 0.000 2.672 110 S HA 0.226 4.697 4.470 0.001 0.000 0.276 110 S C -0.324 174.081 174.600 -0.326 0.000 1.207 110 S CA -0.761 57.182 58.200 -0.429 0.000 1.002 110 S CB 0.726 63.699 63.200 -0.378 0.000 0.998 110 S HN 0.337 nan 8.310 nan 0.000 0.542 111 F N 1.337 121.282 119.950 -0.009 0.000 2.435 111 F HA 0.566 5.094 4.527 0.001 0.000 0.316 111 F C 1.493 177.436 175.800 0.238 0.000 1.220 111 F CA 0.684 58.743 58.000 0.099 0.000 1.241 111 F CB -0.405 38.578 39.000 -0.028 0.000 1.234 111 F HN 0.899 nan 8.300 nan 0.000 0.569 112 G N -0.100 109.047 108.800 0.578 0.000 2.566 112 G HA2 -0.007 3.954 3.960 0.001 0.000 0.599 112 G HA3 -0.007 3.954 3.960 0.001 0.000 0.599 112 G C -1.875 173.090 174.900 0.109 0.000 1.292 112 G CA -1.000 44.305 45.100 0.341 0.000 0.922 112 G HN 0.664 nan 8.290 nan 0.000 0.514 113 L N -0.382 120.795 121.223 -0.076 0.000 2.370 113 L HA 0.626 4.966 4.340 0.001 0.000 0.266 113 L C 0.698 177.408 176.870 -0.268 0.000 1.002 113 L CA -1.061 53.651 54.840 -0.213 0.000 0.818 113 L CB 1.905 43.759 42.059 -0.342 0.000 1.325 113 L HN 0.602 nan 8.230 nan 0.000 0.418 114 L N 2.292 123.336 121.223 -0.299 0.000 2.485 114 L HA 0.113 4.454 4.340 0.001 0.000 0.275 114 L C 0.699 177.341 176.870 -0.380 0.000 1.207 114 L CA 0.167 54.785 54.840 -0.370 0.000 0.855 114 L CB 0.063 41.964 42.059 -0.263 0.000 1.114 114 L HN 0.536 nan 8.230 nan 0.000 0.485 115 K N 2.438 122.643 120.400 -0.326 0.000 2.382 115 K HA 0.103 4.424 4.320 0.001 0.000 0.275 115 K C -0.912 175.545 176.600 -0.239 0.000 1.009 115 K CA -0.155 55.986 56.287 -0.242 0.000 0.970 115 K CB 0.409 32.787 32.500 -0.202 0.000 0.934 115 K HN 0.314 nan 8.250 nan 0.000 0.479 116 Y N 1.853 122.114 120.300 -0.064 0.000 2.319 116 Y HA 0.068 4.618 4.550 0.001 0.000 0.328 116 Y C 0.137 176.050 175.900 0.021 0.000 1.133 116 Y CA -0.149 57.939 58.100 -0.020 0.000 1.265 116 Y CB 0.856 39.296 38.460 -0.034 0.000 1.218 116 Y HN 0.599 nan 8.280 nan 0.000 0.508 117 H N 3.440 122.588 119.070 0.131 0.000 2.658 117 H HA 0.245 4.801 4.556 0.000 0.000 0.337 117 H C -0.655 174.739 175.328 0.110 0.000 1.009 117 H CA -0.993 55.041 56.048 -0.024 0.000 1.231 117 H CB 0.669 30.206 29.762 -0.375 0.000 1.508 117 H HN 0.637 nan 8.280 nan 0.000 0.517 118 E N 4.792 124.796 120.200 -0.326 0.000 2.269 118 E HA -0.335 4.016 4.350 0.001 0.000 0.223 118 E C 0.005 176.580 176.600 -0.040 0.000 1.244 118 E CA 1.228 57.506 56.400 -0.204 0.000 0.713 118 E CB -1.410 28.137 29.700 -0.254 0.000 1.178 118 E HN 1.024 nan 8.360 nan 0.000 0.370 119 Q N -2.890 116.890 119.800 -0.035 0.000 2.342 119 Q HA -0.214 4.127 4.340 0.001 0.000 0.196 119 Q C 0.077 176.104 176.000 0.045 0.000 0.629 119 Q CA 1.564 57.297 55.803 -0.118 0.000 1.365 119 Q CB -0.947 27.713 28.738 -0.130 0.000 1.406 119 Q HN 0.558 nan 8.270 nan 0.000 0.840 120 I N 0.918 121.639 120.570 0.252 0.000 2.433 120 I HA 0.373 4.543 4.170 0.001 0.000 0.292 120 I C -2.311 173.964 176.117 0.263 0.000 1.001 120 I CA -2.496 58.924 61.300 0.200 0.000 1.119 120 I CB 1.799 39.816 38.000 0.030 0.000 1.289 120 I HN -0.259 nan 8.210 nan 0.000 0.438 121 P HA -0.009 nan 4.420 nan 0.000 0.267 121 P C 0.570 177.884 177.300 0.024 0.000 1.200 121 P CA -0.304 62.646 63.100 -0.250 0.000 0.772 121 P CB 0.707 32.188 31.700 -0.364 0.000 0.855 122 L N 3.510 124.750 121.223 0.029 0.000 2.127 122 L HA -0.228 4.112 4.340 0.001 0.000 0.211 122 L C 2.143 179.241 176.870 0.380 0.000 1.089 122 L CA 2.281 57.215 54.840 0.157 0.000 0.757 122 L CB -1.523 40.460 42.059 -0.126 0.000 0.899 122 L HN 0.426 nan 8.230 nan 0.000 0.434 123 S N -1.537 114.319 115.700 0.261 0.000 2.380 123 S HA -0.323 4.148 4.470 0.001 0.000 0.229 123 S C 1.907 176.690 174.600 0.304 0.000 1.043 123 S CA 1.775 60.082 58.200 0.179 0.000 1.038 123 S CB -1.026 61.723 63.200 -0.752 0.000 0.872 123 S HN 0.615 nan 8.310 nan 0.000 0.456 124 H N 0.094 119.178 119.070 0.022 0.000 2.428 124 H HA 0.179 4.736 4.556 0.002 0.000 0.296 124 H C 1.733 177.087 175.328 0.043 0.000 1.062 124 H CA 1.228 57.279 56.048 0.005 0.000 1.350 124 H CB -0.651 29.021 29.762 -0.149 0.000 1.403 124 H HN 0.559 nan 8.280 nan 0.000 0.533 125 Y N -1.468 119.062 120.300 0.383 0.000 2.243 125 Y HA -0.163 4.388 4.550 0.002 0.000 0.293 125 Y C 2.348 178.496 175.900 0.412 0.000 1.124 125 Y CA 0.805 59.126 58.100 0.368 0.000 1.159 125 Y CB -0.593 38.104 38.460 0.395 0.000 1.008 125 Y HN 0.268 nan 8.280 nan 0.000 0.527 126 W N 0.230 121.893 121.300 0.605 0.000 2.335 126 W HA -0.322 4.338 4.660 0.000 0.000 0.311 126 W C 2.110 178.781 176.519 0.252 0.000 1.213 126 W CA 1.876 59.450 57.345 0.381 0.000 1.274 126 W CB -0.901 28.855 29.460 0.493 0.000 1.148 126 W HN 0.109 nan 8.180 nan 0.000 0.498 127 F N 1.725 121.615 119.950 -0.100 0.000 2.206 127 F HA -0.101 4.426 4.527 0.001 0.000 0.298 127 F C 2.129 177.728 175.800 -0.336 0.000 1.090 127 F CA 2.310 60.000 58.000 -0.517 0.000 1.323 127 F CB -1.051 37.867 39.000 -0.136 0.000 1.028 127 F HN -0.028 nan 8.300 nan 0.000 0.492 128 D N 0.069 120.280 120.400 -0.314 0.000 2.116 128 D HA -0.231 4.410 4.640 0.001 0.000 0.193 128 D C 2.307 178.417 176.300 -0.317 0.000 0.998 128 D CA 1.816 55.630 54.000 -0.310 0.000 0.836 128 D CB -0.091 40.649 40.800 -0.099 0.000 0.951 128 D HN 0.230 nan 8.370 nan 0.000 0.449 129 R N -0.254 120.082 120.500 -0.272 0.000 2.075 129 R HA -0.039 4.301 4.340 0.001 0.000 0.232 129 R C 2.555 178.627 176.300 -0.380 0.000 1.126 129 R CA 1.273 57.213 56.100 -0.267 0.000 0.963 129 R CB -0.504 29.652 30.300 -0.241 0.000 0.858 129 R HN 0.087 nan 8.270 nan 0.000 0.435 130 S N -0.267 115.063 115.700 -0.618 0.000 2.348 130 S HA -0.213 4.258 4.470 0.001 0.000 0.221 130 S C 1.814 176.125 174.600 -0.483 0.000 1.033 130 S CA 1.175 59.013 58.200 -0.603 0.000 1.010 130 S CB -0.363 62.261 63.200 -0.960 0.000 0.891 130 S HN 0.456 nan 8.310 nan 0.000 0.442 131 Y N 1.875 121.671 120.300 -0.839 0.000 2.207 131 Y HA -0.026 4.525 4.550 0.001 0.000 0.287 131 Y C 2.156 177.820 175.900 -0.393 0.000 1.156 131 Y CA 1.776 59.457 58.100 -0.697 0.000 1.182 131 Y CB -0.052 37.766 38.460 -1.070 0.000 0.979 131 Y HN 0.213 nan 8.280 nan 0.000 0.521 132 R N -0.340 120.015 120.500 -0.240 0.000 2.334 132 R HA 0.177 4.518 4.340 0.001 0.000 0.220 132 R C 1.209 177.387 176.300 -0.203 0.000 0.917 132 R CA 0.541 56.527 56.100 -0.190 0.000 1.073 132 R CB -0.061 30.185 30.300 -0.089 0.000 1.056 132 R HN 0.501 nan 8.270 nan 0.000 0.506 133 G N 1.925 110.584 108.800 -0.235 0.000 2.198 133 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 133 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 133 G C 0.802 175.616 174.900 -0.144 0.000 1.025 133 G CA 0.270 45.260 45.100 -0.184 0.000 0.769 133 G HN 0.193 nan 8.290 nan 0.000 0.507 134 K N -0.660 119.648 120.400 -0.153 0.000 2.365 134 K HA 0.132 4.453 4.320 0.001 0.000 0.197 134 K C 1.098 177.623 176.600 -0.125 0.000 1.042 134 K CA 1.103 57.316 56.287 -0.123 0.000 0.987 134 K CB 0.374 32.806 32.500 -0.113 0.000 0.779 134 K HN 0.475 nan 8.250 nan 0.000 0.484 135 T N -0.552 113.912 114.554 -0.150 0.000 2.900 135 T HA 0.337 4.688 4.350 0.001 0.000 0.303 135 T C 0.020 174.677 174.700 -0.073 0.000 1.142 135 T CA -0.658 61.378 62.100 -0.107 0.000 1.007 135 T CB 1.744 70.541 68.868 -0.118 0.000 1.156 135 T HN -0.124 nan 8.240 nan 0.000 0.490 136 V N 0.522 120.429 119.914 -0.012 0.000 3.380 136 V HA 0.526 4.647 4.120 0.001 0.000 0.307 136 V C 0.572 176.732 176.094 0.110 0.000 1.434 136 V CA -0.258 62.060 62.300 0.031 0.000 1.075 136 V CB -0.224 31.600 31.823 0.002 0.000 0.954 136 V HN 0.855 nan 8.190 nan 0.000 0.444 137 E N 2.532 122.820 120.200 0.145 0.000 2.376 137 E HA 0.233 4.583 4.350 0.001 0.000 0.266 137 E C -2.274 174.560 176.600 0.389 0.000 1.009 137 E CA -1.681 54.838 56.400 0.198 0.000 0.902 137 E CB 0.815 30.612 29.700 0.161 0.000 0.972 137 E HN 0.340 nan 8.360 nan 0.000 0.439 138 P HA -0.062 nan 4.420 nan 0.000 0.269 138 P C 0.056 177.395 177.300 0.066 0.000 1.215 138 P CA -0.046 63.220 63.100 0.277 0.000 0.780 138 P CB 0.338 32.181 31.700 0.240 0.000 0.898 139 F N 3.282 122.904 119.950 -0.547 0.000 2.065 139 F HA -0.305 4.222 4.527 0.001 0.000 0.298 139 F C 1.783 177.346 175.800 -0.394 0.000 1.112 139 F CA 2.501 59.751 58.000 -1.250 0.000 1.212 139 F CB -0.658 37.530 39.000 -1.353 0.000 0.975 139 F HN 0.346 nan 8.300 nan 0.000 0.476 140 D N -0.725 119.455 120.400 -0.366 0.000 2.123 140 D HA -0.293 4.348 4.640 0.001 0.000 0.196 140 D C 2.090 178.240 176.300 -0.250 0.000 0.992 140 D CA 1.893 55.676 54.000 -0.361 0.000 0.833 140 D CB -1.583 39.150 40.800 -0.112 0.000 0.954 140 D HN 0.488 nan 8.370 nan 0.000 0.455 141 Y N 1.122 121.373 120.300 -0.082 0.000 2.352 141 Y HA 0.097 4.647 4.550 0.001 0.000 0.292 141 Y C 2.866 178.757 175.900 -0.015 0.000 1.136 141 Y CA 1.082 59.175 58.100 -0.011 0.000 1.227 141 Y CB -0.237 38.246 38.460 0.039 0.000 0.991 141 Y HN 0.106 nan 8.280 nan 0.000 0.545 142 A N -1.607 121.253 122.820 0.067 0.000 1.930 142 A HA -0.114 4.207 4.320 0.001 0.000 0.215 142 A C 1.919 179.596 177.584 0.154 0.000 1.176 142 A CA 1.580 53.694 52.037 0.128 0.000 0.632 142 A CB -0.983 18.113 19.000 0.159 0.000 0.819 142 A HN 0.520 nan 8.150 nan 0.000 0.445 143 C N -2.676 116.551 119.300 -0.120 0.000 3.065 143 C HA 0.400 4.861 4.460 0.001 0.000 0.285 143 C C 0.077 174.850 174.990 -0.362 0.000 1.257 143 C CA -0.581 58.299 59.018 -0.231 0.000 1.691 143 C CB -1.306 26.155 27.740 -0.464 0.000 2.089 143 C HN 0.502 nan 8.230 nan 0.000 0.630 144 Y N 1.315 121.444 120.300 -0.285 0.000 2.409 144 Y HA 0.274 4.826 4.550 0.002 0.000 0.343 144 Y C 1.336 177.118 175.900 -0.197 0.000 0.973 144 Y CA -0.834 57.126 58.100 -0.234 0.000 1.064 144 Y CB 1.110 39.407 38.460 -0.271 0.000 1.207 144 Y HN 0.041 nan 8.280 nan 0.000 0.452 145 K N 0.041 120.432 120.400 -0.016 0.000 2.288 145 K HA -0.099 4.221 4.320 0.001 0.000 0.201 145 K C 0.459 177.003 176.600 -0.095 0.000 1.048 145 K CA 1.644 57.905 56.287 -0.044 0.000 0.956 145 K CB 0.177 32.653 32.500 -0.040 0.000 0.746 145 K HN 0.624 nan 8.250 nan 0.000 0.461 146 E N 1.630 121.759 120.200 -0.118 0.000 2.047 146 E HA -0.070 4.280 4.350 0.001 0.000 0.191 146 E C -0.930 175.401 176.600 -0.450 0.000 0.987 146 E CA 1.142 57.401 56.400 -0.235 0.000 0.799 146 E CB -1.095 28.473 29.700 -0.220 0.000 0.752 146 E HN 0.311 nan 8.360 nan 0.000 0.449 147 P HA -0.200 nan 4.420 nan 0.000 0.216 147 P C 1.276 178.307 177.300 -0.448 0.000 1.154 147 P CA 1.121 63.638 63.100 -0.971 0.000 0.865 147 P CB 0.070 30.967 31.700 -1.339 0.000 0.789 148 V N 0.251 120.044 119.914 -0.202 0.000 2.295 148 V HA -0.226 3.895 4.120 0.001 0.000 0.246 148 V C 2.370 178.464 176.094 0.001 0.000 1.049 148 V CA 2.062 64.388 62.300 0.044 0.000 1.024 148 V CB -1.334 30.541 31.823 0.086 0.000 0.648 148 V HN 0.141 nan 8.190 nan 0.000 0.447 149 I N -2.249 118.280 120.570 -0.068 0.000 2.617 149 I HA -0.087 4.083 4.170 0.001 0.000 0.256 149 I C 2.098 178.195 176.117 -0.034 0.000 1.167 149 I CA 1.439 62.714 61.300 -0.041 0.000 1.469 149 I CB -0.410 37.558 38.000 -0.054 0.000 1.098 149 I HN 0.157 nan 8.210 nan 0.000 0.436 150 L N 0.949 122.094 121.223 -0.131 0.000 2.156 150 L HA -0.066 4.275 4.340 0.001 0.000 0.208 150 L C 1.948 178.886 176.870 0.113 0.000 1.095 150 L CA 0.883 55.691 54.840 -0.054 0.000 0.770 150 L CB -0.794 41.011 42.059 -0.422 0.000 0.914 150 L HN 0.222 nan 8.230 nan 0.000 0.439 151 D N 0.790 121.229 120.400 0.066 0.000 2.218 151 D HA -0.107 4.534 4.640 0.001 0.000 0.204 151 D C 1.763 178.160 176.300 0.161 0.000 0.976 151 D CA 1.301 55.400 54.000 0.166 0.000 0.853 151 D CB 0.214 41.148 40.800 0.223 0.000 0.939 151 D HN 0.294 nan 8.370 nan 0.000 0.481 152 A N 0.098 122.993 122.820 0.125 0.000 2.423 152 A HA 0.105 4.426 4.320 0.001 0.000 0.246 152 A C 0.316 177.967 177.584 0.112 0.000 1.278 152 A CA -0.245 51.858 52.037 0.109 0.000 0.903 152 A CB -0.044 19.005 19.000 0.080 0.000 0.997 152 A HN -0.012 nan 8.150 nan 0.000 0.510 153 N N 0.461 119.252 118.700 0.151 0.000 2.721 153 N HA -0.128 4.613 4.740 0.001 0.000 0.249 153 N C -0.428 175.135 175.510 0.088 0.000 1.072 153 N CA 0.761 53.892 53.050 0.135 0.000 0.710 153 N CB -0.877 37.673 38.487 0.106 0.000 0.993 153 N HN 0.476 nan 8.380 nan 0.000 0.547 154 R N 0.299 120.836 120.500 0.062 0.000 2.641 154 R HA 0.199 4.540 4.340 0.001 0.000 0.269 154 R C 0.926 177.218 176.300 -0.013 0.000 1.074 154 R CA -0.182 55.931 56.100 0.023 0.000 1.133 154 R CB 0.521 30.820 30.300 -0.003 0.000 1.029 154 R HN 0.218 nan 8.270 nan 0.000 0.488 155 S N 2.484 118.158 115.700 -0.043 0.000 2.576 155 S HA 0.152 4.622 4.470 0.001 0.000 0.276 155 S C -1.314 173.122 174.600 -0.274 0.000 1.339 155 S CA -1.288 56.822 58.200 -0.149 0.000 1.039 155 S CB 0.612 63.718 63.200 -0.156 0.000 0.902 155 S HN 0.386 nan 8.310 nan 0.000 0.516 156 P HA 0.058 nan 4.420 nan 0.000 0.241 156 P C -0.300 176.669 177.300 -0.552 0.000 1.191 156 P CA 0.476 63.293 63.100 -0.471 0.000 0.771 156 P CB 0.183 31.495 31.700 -0.646 0.000 0.929 157 R N 0.048 120.082 120.500 -0.777 0.000 2.599 157 R HA 0.433 4.774 4.340 0.001 0.000 0.295 157 R C 0.445 176.415 176.300 -0.549 0.000 0.963 157 R CA -0.836 54.806 56.100 -0.765 0.000 0.883 157 R CB 2.118 31.687 30.300 -1.218 0.000 1.171 157 R HN -0.034 nan 8.270 nan 0.000 0.450 158 R N 1.594 121.946 120.500 -0.246 0.000 2.707 158 R HA 0.094 4.435 4.340 0.001 0.000 0.270 158 R C 1.320 177.680 176.300 0.100 0.000 1.083 158 R CA -0.251 55.811 56.100 -0.063 0.000 1.182 158 R CB 0.497 30.781 30.300 -0.027 0.000 1.084 158 R HN 0.528 nan 8.270 nan 0.000 0.528 159 L N 1.142 122.464 121.223 0.166 0.000 2.191 159 L HA -0.208 4.133 4.340 0.001 0.000 0.212 159 L C 1.576 178.551 176.870 0.175 0.000 1.103 159 L CA 1.317 56.297 54.840 0.234 0.000 0.769 159 L CB -0.571 41.559 42.059 0.119 0.000 0.908 159 L HN 0.737 nan 8.230 nan 0.000 0.438 160 D N -0.546 119.919 120.400 0.109 0.000 2.378 160 D HA -0.016 4.625 4.640 0.001 0.000 0.227 160 D C 1.467 177.827 176.300 0.100 0.000 1.012 160 D CA 0.887 54.934 54.000 0.079 0.000 0.905 160 D CB 0.062 40.889 40.800 0.043 0.000 0.895 160 D HN 0.313 nan 8.370 nan 0.000 0.532 161 G N -0.120 108.781 108.800 0.168 0.000 2.213 161 G HA2 -0.282 3.679 3.960 0.001 0.000 0.236 161 G HA3 -0.282 3.679 3.960 0.001 0.000 0.236 161 G C 0.396 175.316 174.900 0.033 0.000 0.991 161 G CA 0.270 45.471 45.100 0.168 0.000 0.629 161 G HN 0.902 nan 8.290 nan 0.000 0.517 162 S N 0.299 116.001 115.700 0.003 0.000 2.549 162 S HA 0.502 4.973 4.470 0.001 0.000 0.279 162 S C 0.154 174.705 174.600 -0.081 0.000 1.321 162 S CA 0.370 58.557 58.200 -0.022 0.000 1.054 162 S CB 1.819 65.013 63.200 -0.010 0.000 0.899 162 S HN 0.627 nan 8.310 nan 0.000 0.497 163 K N 2.016 122.383 120.400 -0.055 0.000 2.258 163 K HA 0.353 4.674 4.320 0.001 0.000 0.284 163 K C 0.696 177.264 176.600 -0.052 0.000 1.051 163 K CA -0.505 55.744 56.287 -0.063 0.000 0.923 163 K CB 0.907 33.419 32.500 0.021 0.000 1.046 163 K HN 0.705 nan 8.250 nan 0.000 0.474 164 V N 0.032 119.898 119.914 -0.080 0.000 3.643 164 V HA 0.233 4.354 4.120 0.001 0.000 0.280 164 V C 0.290 176.364 176.094 -0.032 0.000 1.351 164 V CA 0.193 62.460 62.300 -0.056 0.000 1.073 164 V CB 0.552 32.332 31.823 -0.072 0.000 0.863 164 V HN 0.729 nan 8.190 nan 0.000 0.436 165 T N 0.559 115.104 114.554 -0.015 0.000 2.769 165 T HA 0.348 4.699 4.350 0.001 0.000 0.306 165 T C -1.427 173.305 174.700 0.053 0.000 1.400 165 T CA -0.629 61.483 62.100 0.020 0.000 1.007 165 T CB 1.760 70.630 68.868 0.004 0.000 1.392 165 T HN 0.348 nan 8.240 nan 0.000 0.500 166 N N 2.172 120.904 118.700 0.054 0.000 2.520 166 N HA 0.416 5.157 4.740 0.001 0.000 0.273 166 N C -0.990 174.504 175.510 -0.025 0.000 1.155 166 N CA 0.167 53.180 53.050 -0.062 0.000 0.967 166 N CB 0.769 39.250 38.487 -0.010 0.000 1.092 166 N HN 0.657 nan 8.380 nan 0.000 0.457 167 Y N -1.039 119.039 120.300 -0.370 0.000 2.625 167 Y HA 0.787 5.338 4.550 0.001 0.000 0.338 167 Y C -1.057 174.307 175.900 -0.893 0.000 1.123 167 Y CA -1.164 56.683 58.100 -0.423 0.000 1.046 167 Y CB 0.653 38.855 38.460 -0.430 0.000 1.299 167 Y HN 0.512 nan 8.280 nan 0.000 0.464 168 A N 0.771 123.191 122.820 -0.667 0.000 3.423 168 A HA 0.856 5.177 4.320 0.001 0.000 0.226 168 A C -1.788 175.327 177.584 -0.782 0.000 1.055 168 A CA -0.856 50.469 52.037 -1.187 0.000 0.786 168 A CB 0.972 19.638 19.000 -0.556 0.000 1.400 168 A HN 0.793 nan 8.150 nan 0.000 0.673 169 W N -0.733 120.740 121.300 0.288 0.000 2.950 169 W HA 0.528 5.189 4.660 0.001 0.000 0.340 169 W C -1.175 175.418 176.519 0.123 0.000 1.139 169 W CA -0.227 57.316 57.345 0.329 0.000 1.188 169 W CB 1.025 30.932 29.460 0.745 0.000 1.426 169 W HN 0.741 nan 8.180 nan 0.000 0.531 170 H N 1.302 120.599 119.070 0.378 0.000 2.489 170 H HA 0.519 5.076 4.556 0.002 0.000 0.343 170 H C -0.675 174.793 175.328 0.233 0.000 1.086 170 H CA -0.510 55.614 56.048 0.126 0.000 1.198 170 H CB 1.810 31.638 29.762 0.111 0.000 1.490 170 H HN 0.249 nan 8.280 nan 0.000 0.504 171 F N -0.864 119.298 119.950 0.353 0.000 2.773 171 F HA 0.227 4.755 4.527 0.001 0.000 0.314 171 F C -1.483 174.420 175.800 0.172 0.000 1.160 171 F CA -1.470 56.682 58.000 0.253 0.000 0.920 171 F CB 0.786 39.972 39.000 0.310 0.000 1.323 171 F HN 0.269 nan 8.300 nan 0.000 0.457 172 D N 1.401 122.081 120.400 0.466 0.000 2.365 172 D HA 0.448 5.089 4.640 0.001 0.000 0.237 172 D C 1.113 177.645 176.300 0.386 0.000 1.190 172 D CA 0.406 54.584 54.000 0.296 0.000 0.867 172 D CB 1.681 42.613 40.800 0.220 0.000 1.050 172 D HN 0.884 nan 8.370 nan 0.000 0.491 173 A N 4.133 127.126 122.820 0.289 0.000 2.032 173 A HA -0.249 4.072 4.320 0.001 0.000 0.221 173 A C 1.658 179.353 177.584 0.185 0.000 1.165 173 A CA 1.574 53.792 52.037 0.303 0.000 0.645 173 A CB -0.837 18.254 19.000 0.151 0.000 0.807 173 A HN 0.848 nan 8.150 nan 0.000 0.453 174 H N -0.470 118.735 119.070 0.226 0.000 2.387 174 H HA -0.039 4.517 4.556 0.001 0.000 0.299 174 H C 1.892 177.310 175.328 0.151 0.000 1.090 174 H CA 1.362 57.512 56.048 0.170 0.000 1.332 174 H CB -0.160 29.689 29.762 0.144 0.000 1.386 174 H HN 0.415 nan 8.280 nan 0.000 0.516 175 L N -0.055 121.328 121.223 0.266 0.000 2.093 175 L HA -0.135 4.206 4.340 0.001 0.000 0.208 175 L C 2.321 179.291 176.870 0.166 0.000 1.085 175 L CA 0.558 55.512 54.840 0.190 0.000 0.755 175 L CB -0.278 41.877 42.059 0.160 0.000 0.904 175 L HN 0.176 nan 8.230 nan 0.000 0.435 176 V N 0.262 120.240 119.914 0.107 0.000 2.358 176 V HA -0.251 3.870 4.120 0.001 0.000 0.246 176 V C 2.805 179.022 176.094 0.206 0.000 1.047 176 V CA 1.729 64.072 62.300 0.072 0.000 1.035 176 V CB -0.879 30.819 31.823 -0.207 0.000 0.658 176 V HN 0.458 nan 8.190 nan 0.000 0.452 177 A N 0.001 122.945 122.820 0.206 0.000 1.902 177 A HA -0.310 4.011 4.320 0.001 0.000 0.217 177 A C 2.039 179.673 177.584 0.083 0.000 1.181 177 A CA 2.332 54.503 52.037 0.223 0.000 0.623 177 A CB -0.676 18.494 19.000 0.283 0.000 0.818 177 A HN 0.573 nan 8.150 nan 0.000 0.443 178 D N -1.718 118.735 120.400 0.090 0.000 2.123 178 D HA -0.112 4.529 4.640 0.001 0.000 0.200 178 D C 1.612 177.907 176.300 -0.010 0.000 0.976 178 D CA 1.171 55.160 54.000 -0.017 0.000 0.831 178 D CB -0.228 40.602 40.800 0.050 0.000 0.974 178 D HN 0.367 nan 8.370 nan 0.000 0.469 179 F N 0.794 120.736 119.950 -0.014 0.000 2.095 179 F HA -0.143 4.384 4.527 0.001 0.000 0.298 179 F C 1.850 177.678 175.800 0.047 0.000 1.104 179 F CA 1.400 59.414 58.000 0.024 0.000 1.232 179 F CB -0.272 38.766 39.000 0.064 0.000 0.987 179 F HN -0.015 nan 8.300 nan 0.000 0.475 180 L N -0.110 121.201 121.223 0.148 0.000 2.141 180 L HA -0.166 4.174 4.340 0.001 0.000 0.209 180 L C 2.717 179.538 176.870 -0.081 0.000 1.094 180 L CA 1.344 56.269 54.840 0.143 0.000 0.763 180 L CB -0.706 41.568 42.059 0.359 0.000 0.908 180 L HN 0.131 nan 8.230 nan 0.000 0.437 181 R N 0.608 120.793 120.500 -0.524 0.000 2.073 181 R HA -0.174 4.166 4.340 0.001 0.000 0.234 181 R C 2.477 178.360 176.300 -0.695 0.000 1.134 181 R CA 1.504 56.813 56.100 -1.319 0.000 0.952 181 R CB -0.087 29.171 30.300 -1.737 0.000 0.850 181 R HN 0.288 nan 8.270 nan 0.000 0.433 182 R N -0.467 119.778 120.500 -0.425 0.000 2.080 182 R HA -0.189 4.152 4.340 0.001 0.000 0.236 182 R C 2.295 178.460 176.300 -0.226 0.000 1.137 182 R CA 1.875 57.807 56.100 -0.279 0.000 0.943 182 R CB -0.706 29.462 30.300 -0.220 0.000 0.846 182 R HN 0.236 nan 8.270 nan 0.000 0.431 183 F N 1.564 121.276 119.950 -0.396 0.000 2.046 183 F HA -0.247 4.281 4.527 0.001 0.000 0.297 183 F C 2.380 178.082 175.800 -0.162 0.000 1.123 183 F CA 1.674 59.489 58.000 -0.310 0.000 1.199 183 F CB -0.571 38.210 39.000 -0.365 0.000 0.972 183 F HN 0.021 nan 8.300 nan 0.000 0.474 184 A N -0.372 122.365 122.820 -0.138 0.000 1.902 184 A HA -0.195 4.126 4.320 0.001 0.000 0.217 184 A C 2.232 179.744 177.584 -0.121 0.000 1.181 184 A CA 2.613 54.586 52.037 -0.107 0.000 0.623 184 A CB -1.602 17.552 19.000 0.257 0.000 0.818 184 A HN 0.565 nan 8.150 nan 0.000 0.443 185 T N -2.393 112.093 114.554 -0.113 0.000 2.857 185 T HA -0.041 4.310 4.350 0.001 0.000 0.266 185 T C 1.626 176.256 174.700 -0.116 0.000 1.048 185 T CA 1.478 63.537 62.100 -0.069 0.000 1.139 185 T CB -0.225 68.602 68.868 -0.068 0.000 0.874 185 T HN 0.585 nan 8.240 nan 0.000 0.455 186 E N 0.438 120.533 120.200 -0.175 0.000 2.140 186 E HA 0.076 4.427 4.350 0.001 0.000 0.191 186 E C 2.206 178.681 176.600 -0.209 0.000 0.973 186 E CA 0.458 56.762 56.400 -0.161 0.000 0.829 186 E CB 0.235 29.851 29.700 -0.139 0.000 0.781 186 E HN 0.256 nan 8.360 nan 0.000 0.466 187 K N -0.068 120.117 120.400 -0.359 0.000 2.335 187 K HA 0.175 4.496 4.320 0.001 0.000 0.195 187 K C 1.595 177.950 176.600 -0.408 0.000 1.058 187 K CA 0.410 56.444 56.287 -0.423 0.000 0.988 187 K CB 0.695 32.795 32.500 -0.667 0.000 0.880 187 K HN 0.128 nan 8.250 nan 0.000 0.513 188 L N -0.102 120.866 121.223 -0.425 0.000 2.766 188 L HA 0.252 4.593 4.340 0.001 0.000 0.242 188 L C 0.702 177.475 176.870 -0.162 0.000 1.136 188 L CA 0.127 54.788 54.840 -0.299 0.000 0.933 188 L CB 0.298 42.163 42.059 -0.323 0.000 1.241 188 L HN 0.254 nan 8.230 nan 0.000 0.522 189 G N 1.252 109.972 108.800 -0.132 0.000 2.225 189 G HA2 -0.256 3.705 3.960 0.001 0.000 0.267 189 G HA3 -0.256 3.705 3.960 0.001 0.000 0.267 189 G C 0.232 175.116 174.900 -0.027 0.000 1.024 189 G CA 0.192 45.251 45.100 -0.069 0.000 0.784 189 G HN 0.133 nan 8.290 nan 0.000 0.507 190 V N 0.401 120.313 119.914 -0.004 0.000 2.572 190 V HA 0.248 4.368 4.120 0.001 0.000 0.291 190 V C 1.279 177.436 176.094 0.105 0.000 1.039 190 V CA -0.080 62.255 62.300 0.058 0.000 1.055 190 V CB 1.236 33.135 31.823 0.128 0.000 0.969 190 V HN 0.505 nan 8.190 nan 0.000 0.482 191 R N 3.837 124.393 120.500 0.093 0.000 2.265 191 R HA 0.233 4.574 4.340 0.001 0.000 0.314 191 R C -0.095 176.325 176.300 0.200 0.000 1.053 191 R CA -0.384 55.791 56.100 0.124 0.000 0.931 191 R CB 0.300 30.652 30.300 0.087 0.000 1.024 191 R HN 0.903 nan 8.270 nan 0.000 0.457 192 H N 4.140 123.291 119.070 0.135 0.000 2.519 192 H HA 0.321 4.877 4.556 0.001 0.000 0.316 192 H C -1.205 174.177 175.328 0.090 0.000 1.065 192 H CA -0.876 55.283 56.048 0.185 0.000 1.264 192 H CB 1.088 31.031 29.762 0.302 0.000 1.413 192 H HN 0.248 nan 8.280 nan 0.000 0.465 193 V N 6.172 126.105 119.914 0.031 0.000 2.448 193 V HA 0.103 4.224 4.120 0.001 0.000 0.295 193 V C -0.200 175.796 176.094 -0.162 0.000 1.025 193 V CA -0.813 61.417 62.300 -0.115 0.000 0.859 193 V CB 1.636 33.367 31.823 -0.152 0.000 0.988 193 V HN 0.826 nan 8.190 nan 0.000 0.431 194 E N 4.120 124.202 120.200 -0.198 0.000 1.963 194 E HA 0.463 4.814 4.350 0.001 0.000 0.274 194 E C -1.035 175.547 176.600 -0.030 0.000 1.061 194 E CA -0.179 56.154 56.400 -0.112 0.000 0.847 194 E CB 1.231 30.852 29.700 -0.131 0.000 1.083 194 E HN 0.603 nan 8.360 nan 0.000 0.402 195 D N 1.483 121.876 120.400 -0.011 0.000 2.671 195 D HA 0.195 4.836 4.640 0.001 0.000 0.273 195 D C -1.269 175.043 176.300 0.020 0.000 1.264 195 D CA -0.657 53.355 54.000 0.022 0.000 0.788 195 D CB 1.802 42.638 40.800 0.060 0.000 1.324 195 D HN 0.174 nan 8.370 nan 0.000 0.424 196 R N 1.514 122.038 120.500 0.040 0.000 2.343 196 R HA 0.515 4.856 4.340 0.001 0.000 0.320 196 R C -0.735 175.595 176.300 0.050 0.000 0.956 196 R CA -0.631 55.491 56.100 0.037 0.000 0.836 196 R CB 1.095 31.417 30.300 0.038 0.000 1.151 196 R HN 0.195 nan 8.270 nan 0.000 0.450 197 V N 4.637 124.575 119.914 0.039 0.000 2.557 197 V HA -0.071 4.049 4.120 0.001 0.000 0.301 197 V C 1.289 177.419 176.094 0.060 0.000 1.026 197 V CA 0.730 63.062 62.300 0.054 0.000 1.137 197 V CB 1.070 32.911 31.823 0.029 0.000 0.917 197 V HN 0.919 nan 8.190 nan 0.000 0.484 198 E N 3.084 123.337 120.200 0.088 0.000 2.330 198 E HA 0.061 4.412 4.350 0.001 0.000 0.200 198 E C 0.004 176.692 176.600 0.147 0.000 0.922 198 E CA 0.143 56.600 56.400 0.096 0.000 0.935 198 E CB 0.610 30.366 29.700 0.093 0.000 0.917 198 E HN 0.871 nan 8.360 nan 0.000 0.491 199 H N -0.888 118.197 119.070 0.025 0.000 3.029 199 H HA 0.361 4.917 4.556 0.001 0.000 0.358 199 H C -1.785 173.545 175.328 0.003 0.000 1.129 199 H CA -0.593 55.462 56.048 0.011 0.000 1.230 199 H CB 1.572 31.341 29.762 0.012 0.000 1.827 199 H HN -0.196 nan 8.280 nan 0.000 0.530 200 V N 4.919 124.475 119.914 -0.596 0.000 2.357 200 V HA 0.260 4.381 4.120 0.001 0.000 0.284 200 V C -0.163 175.526 176.094 -0.676 0.000 1.018 200 V CA -0.730 61.280 62.300 -0.484 0.000 0.841 200 V CB 1.121 32.764 31.823 -0.300 0.000 0.991 200 V HN 0.733 nan 8.190 nan 0.000 0.437 201 Q N 4.991 124.533 119.800 -0.430 0.000 2.303 201 Q HA 0.469 4.810 4.340 0.001 0.000 0.257 201 Q C -0.366 175.533 176.000 -0.168 0.000 0.941 201 Q CA 0.062 55.731 55.803 -0.224 0.000 0.931 201 Q CB 0.841 29.574 28.738 -0.008 0.000 1.215 201 Q HN 0.681 nan 8.270 nan 0.000 0.437 202 R N 2.336 122.763 120.500 -0.123 0.000 2.668 202 R HA 0.398 4.739 4.340 0.001 0.000 0.279 202 R C -0.489 175.786 176.300 -0.042 0.000 0.976 202 R CA -0.793 55.248 56.100 -0.098 0.000 0.978 202 R CB 0.922 31.166 30.300 -0.093 0.000 1.133 202 R HN 0.800 nan 8.270 nan 0.000 0.484 203 D N 0.486 120.867 120.400 -0.031 0.000 2.506 203 D HA 0.200 4.840 4.640 0.001 0.000 0.272 203 D C 0.502 176.797 176.300 -0.007 0.000 1.214 203 D CA -0.641 53.354 54.000 -0.008 0.000 1.067 203 D CB 0.466 41.268 40.800 0.003 0.000 1.117 203 D HN 0.408 nan 8.370 nan 0.000 0.578 204 A N -0.686 122.134 122.820 -0.000 0.000 2.167 204 A HA -0.070 4.250 4.320 0.001 0.000 0.214 204 A C 1.383 178.966 177.584 -0.002 0.000 1.151 204 A CA 0.657 52.694 52.037 -0.000 0.000 0.735 204 A CB -1.072 17.930 19.000 0.003 0.000 0.802 204 A HN 0.633 nan 8.150 nan 0.000 0.467 205 N N -0.723 117.977 118.700 -0.001 0.000 2.461 205 N HA 0.265 5.006 4.740 0.001 0.000 0.188 205 N C 1.049 176.556 175.510 -0.005 0.000 1.134 205 N CA 0.521 53.570 53.050 -0.001 0.000 0.878 205 N CB 0.165 38.654 38.487 0.003 0.000 0.972 205 N HN 0.546 nan 8.380 nan 0.000 0.456 206 G N 0.242 109.036 108.800 -0.010 0.000 2.179 206 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 206 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 206 G C -0.197 174.689 174.900 -0.024 0.000 0.977 206 G CA -0.329 44.761 45.100 -0.017 0.000 0.641 206 G HN 0.269 nan 8.290 nan 0.000 0.533 207 N N 0.061 118.752 118.700 -0.016 0.000 2.483 207 N HA 0.479 5.220 4.740 0.001 0.000 0.269 207 N C 0.748 176.211 175.510 -0.078 0.000 1.209 207 N CA -0.298 52.742 53.050 -0.017 0.000 0.969 207 N CB 0.772 39.275 38.487 0.027 0.000 1.173 207 N HN 0.290 nan 8.380 nan 0.000 0.475 208 I N 1.101 121.572 120.570 -0.165 0.000 2.496 208 I HA -0.005 4.166 4.170 0.001 0.000 0.285 208 I C 1.724 177.698 176.117 -0.240 0.000 1.080 208 I CA 0.184 61.250 61.300 -0.390 0.000 1.404 208 I CB 0.813 38.250 38.000 -0.937 0.000 1.403 208 I HN 0.581 nan 8.210 nan 0.000 0.539 209 E N 3.548 123.655 120.200 -0.155 0.000 2.099 209 E HA 0.005 4.356 4.350 0.001 0.000 0.191 209 E C 0.105 176.785 176.600 0.133 0.000 0.962 209 E CA 0.493 56.908 56.400 0.025 0.000 0.826 209 E CB 0.528 30.235 29.700 0.012 0.000 0.788 209 E HN 0.788 nan 8.360 nan 0.000 0.461 210 S N -0.795 114.918 115.700 0.022 0.000 2.588 210 S HA 0.436 4.907 4.470 0.001 0.000 0.269 210 S C -0.858 173.769 174.600 0.045 0.000 1.157 210 S CA -0.752 57.544 58.200 0.160 0.000 0.824 210 S CB 1.698 64.983 63.200 0.142 0.000 1.126 210 S HN 0.140 nan 8.310 nan 0.000 0.464 211 V N -0.360 119.672 119.914 0.197 0.000 2.513 211 V HA 0.799 4.920 4.120 0.001 0.000 0.299 211 V C -0.326 175.900 176.094 0.221 0.000 1.035 211 V CA -0.817 61.565 62.300 0.137 0.000 0.889 211 V CB 1.505 33.397 31.823 0.114 0.000 0.988 211 V HN 1.123 nan 8.190 nan 0.000 0.440 212 R N 3.225 123.833 120.500 0.179 0.000 2.346 212 R HA 0.638 4.979 4.340 0.001 0.000 0.311 212 R C 0.286 176.698 176.300 0.187 0.000 0.983 212 R CA 0.134 56.349 56.100 0.191 0.000 0.880 212 R CB 1.556 31.967 30.300 0.185 0.000 1.100 212 R HN 1.102 nan 8.270 nan 0.000 0.453 213 T N 0.462 115.138 114.554 0.203 0.000 2.862 213 T HA 0.349 4.699 4.350 0.001 0.000 0.276 213 T C 1.330 176.099 174.700 0.115 0.000 0.974 213 T CA -0.261 61.942 62.100 0.170 0.000 0.966 213 T CB 1.568 70.573 68.868 0.229 0.000 1.072 213 T HN 0.590 nan 8.240 nan 0.000 0.538 214 A N 0.494 123.368 122.820 0.090 0.000 2.070 214 A HA 0.010 4.331 4.320 0.001 0.000 0.220 214 A C 2.311 179.928 177.584 0.056 0.000 1.159 214 A CA 1.823 53.898 52.037 0.063 0.000 0.656 214 A CB -1.529 17.502 19.000 0.051 0.000 0.800 214 A HN 1.063 nan 8.150 nan 0.000 0.453 215 T N -4.959 109.636 114.554 0.068 0.000 3.100 215 T HA 0.404 4.755 4.350 0.001 0.000 0.253 215 T C 1.385 176.110 174.700 0.041 0.000 1.118 215 T CA 1.059 63.191 62.100 0.053 0.000 1.058 215 T CB 0.212 69.118 68.868 0.063 0.000 0.953 215 T HN 1.603 nan 8.240 nan 0.000 0.515 216 G N 1.529 110.359 108.800 0.049 0.000 2.176 216 G HA2 -0.225 3.735 3.960 0.001 0.000 0.232 216 G HA3 -0.225 3.735 3.960 0.001 0.000 0.232 216 G C 0.133 175.036 174.900 0.005 0.000 0.986 216 G CA -0.391 44.725 45.100 0.027 0.000 0.643 216 G HN 0.628 nan 8.290 nan 0.000 0.522 217 R N -0.109 120.399 120.500 0.013 0.000 2.491 217 R HA 0.469 4.809 4.340 0.001 0.000 0.283 217 R C -0.101 176.106 176.300 -0.155 0.000 1.072 217 R CA -0.105 55.924 56.100 -0.118 0.000 1.048 217 R CB 1.309 31.544 30.300 -0.108 0.000 0.983 217 R HN 0.082 nan 8.270 nan 0.000 0.450 218 V N 5.082 124.808 119.914 -0.314 0.000 2.384 218 V HA 0.329 4.450 4.120 0.001 0.000 0.287 218 V C -0.763 175.104 176.094 -0.378 0.000 1.020 218 V CA -0.535 61.662 62.300 -0.171 0.000 0.850 218 V CB 1.162 32.946 31.823 -0.064 0.000 0.987 218 V HN 0.535 nan 8.190 nan 0.000 0.436 219 F N 3.467 123.466 119.950 0.082 0.000 2.347 219 F HA 0.444 4.972 4.527 0.001 0.000 0.366 219 F C 0.471 176.358 175.800 0.145 0.000 1.107 219 F CA -0.967 57.085 58.000 0.087 0.000 1.058 219 F CB 1.051 40.099 39.000 0.079 0.000 1.236 219 F HN 0.667 nan 8.300 nan 0.000 0.456 220 D N 1.832 122.360 120.400 0.214 0.000 2.340 220 D HA 0.831 5.472 4.640 0.001 0.000 0.251 220 D C -0.578 175.776 176.300 0.090 0.000 1.080 220 D CA -0.598 53.538 54.000 0.226 0.000 0.971 220 D CB 1.827 42.709 40.800 0.137 0.000 1.137 220 D HN 0.646 nan 8.370 nan 0.000 0.475 221 A N 0.244 123.070 122.820 0.010 0.000 2.544 221 A HA 0.345 4.666 4.320 0.001 0.000 0.291 221 A C -0.552 176.930 177.584 -0.169 0.000 1.055 221 A CA -0.743 51.123 52.037 -0.286 0.000 0.651 221 A CB 1.019 19.520 19.000 -0.832 0.000 1.296 221 A HN 0.556 nan 8.150 nan 0.000 0.431 222 D N -0.745 119.556 120.400 -0.166 0.000 2.271 222 D HA 0.186 4.826 4.640 0.001 0.000 0.206 222 D C -0.201 176.067 176.300 -0.053 0.000 0.967 222 D CA 1.160 55.133 54.000 -0.045 0.000 0.867 222 D CB 0.535 41.317 40.800 -0.031 0.000 0.960 222 D HN 0.246 nan 8.370 nan 0.000 0.509 223 L N 0.139 121.218 121.223 -0.239 0.000 2.464 223 L HA 0.381 4.722 4.340 0.001 0.000 0.266 223 L C -1.794 174.847 176.870 -0.382 0.000 0.965 223 L CA -0.598 54.127 54.840 -0.192 0.000 0.833 223 L CB 1.976 43.895 42.059 -0.233 0.000 1.296 223 L HN -0.308 nan 8.230 nan 0.000 0.405 224 F N 4.272 124.146 119.950 -0.127 0.000 2.482 224 F HA 0.651 5.179 4.527 0.001 0.000 0.331 224 F C -0.191 175.515 175.800 -0.157 0.000 1.115 224 F CA -0.916 57.017 58.000 -0.110 0.000 0.955 224 F CB 2.082 41.038 39.000 -0.073 0.000 1.136 224 F HN 0.054 nan 8.300 nan 0.000 0.452 225 V N 2.399 122.303 119.914 -0.017 0.000 2.357 225 V HA 0.203 4.323 4.120 0.001 0.000 0.284 225 V C -0.660 175.412 176.094 -0.037 0.000 1.018 225 V CA -0.700 61.553 62.300 -0.079 0.000 0.841 225 V CB 1.392 33.143 31.823 -0.121 0.000 0.991 225 V HN 0.585 nan 8.190 nan 0.000 0.437 226 D N 3.972 124.356 120.400 -0.026 0.000 2.411 226 D HA 0.233 4.874 4.640 0.001 0.000 0.225 226 D C 0.048 176.331 176.300 -0.030 0.000 1.156 226 D CA -0.194 53.797 54.000 -0.014 0.000 0.874 226 D CB 1.005 41.809 40.800 0.007 0.000 1.034 226 D HN 0.573 nan 8.370 nan 0.000 0.502 227 C N 2.918 122.186 119.300 -0.053 0.000 2.557 227 C HA 0.132 4.593 4.460 0.001 0.000 0.281 227 C C 1.848 176.801 174.990 -0.062 0.000 1.490 227 C CA -0.334 58.645 59.018 -0.064 0.000 1.771 227 C CB -1.473 26.205 27.740 -0.104 0.000 2.887 227 C HN 0.656 nan 8.230 nan 0.000 0.527 228 S N 0.155 115.829 115.700 -0.043 0.000 2.603 228 S HA 0.403 4.873 4.470 0.001 0.000 0.220 228 S C 1.149 175.720 174.600 -0.049 0.000 0.967 228 S CA 0.696 58.874 58.200 -0.037 0.000 0.920 228 S CB -0.124 63.064 63.200 -0.021 0.000 0.773 228 S HN 1.171 nan 8.310 nan 0.000 0.529 229 G N 1.229 109.983 108.800 -0.077 0.000 2.584 229 G HA2 -0.232 3.729 3.960 0.001 0.000 0.229 229 G HA3 -0.232 3.729 3.960 0.001 0.000 0.229 229 G C 0.055 174.893 174.900 -0.102 0.000 1.320 229 G CA -0.174 44.819 45.100 -0.178 0.000 0.891 229 G HN 0.228 nan 8.290 nan 0.000 0.573 230 F N 1.053 120.975 119.950 -0.046 0.000 2.236 230 F HA -0.041 4.487 4.527 0.001 0.000 0.302 230 F C 2.945 178.674 175.800 -0.119 0.000 1.073 230 F CA 1.973 59.908 58.000 -0.108 0.000 1.336 230 F CB -0.418 38.504 39.000 -0.130 0.000 1.040 230 F HN 0.389 nan 8.300 nan 0.000 0.507 231 R N -0.044 120.510 120.500 0.090 0.000 2.152 231 R HA -0.050 4.291 4.340 0.001 0.000 0.232 231 R C 1.602 177.909 176.300 0.011 0.000 1.117 231 R CA 0.814 56.933 56.100 0.031 0.000 0.981 231 R CB -0.910 29.403 30.300 0.021 0.000 0.870 231 R HN 0.356 nan 8.270 nan 0.000 0.451 232 G N 1.671 110.481 108.800 0.017 0.000 2.395 232 G HA2 -0.276 3.685 3.960 0.001 0.000 0.300 232 G HA3 -0.276 3.685 3.960 0.001 0.000 0.300 232 G C 0.599 175.504 174.900 0.008 0.000 0.998 232 G CA 0.310 45.422 45.100 0.021 0.000 1.046 232 G HN 0.260 nan 8.290 nan 0.000 0.513 233 L N -1.193 120.030 121.223 -0.001 0.000 2.034 233 L HA -0.201 4.139 4.340 0.001 0.000 0.217 233 L C 2.918 179.774 176.870 -0.024 0.000 1.077 233 L CA 2.686 57.520 54.840 -0.011 0.000 0.769 233 L CB -0.175 41.877 42.059 -0.012 0.000 0.890 233 L HN 0.571 nan 8.230 nan 0.000 0.435 234 L N -2.584 118.626 121.223 -0.022 0.000 2.185 234 L HA -0.048 4.293 4.340 0.001 0.000 0.198 234 L C 2.323 179.181 176.870 -0.020 0.000 1.079 234 L CA 0.410 55.225 54.840 -0.042 0.000 0.780 234 L CB -0.528 41.507 42.059 -0.039 0.000 0.955 234 L HN 0.135 nan 8.230 nan 0.000 0.462 235 I N 0.798 121.375 120.570 0.012 0.000 2.252 235 I HA -0.240 3.931 4.170 0.001 0.000 0.245 235 I C 1.801 177.944 176.117 0.043 0.000 1.102 235 I CA 1.887 63.211 61.300 0.040 0.000 1.385 235 I CB -0.271 37.772 38.000 0.072 0.000 1.064 235 I HN 0.265 nan 8.210 nan 0.000 0.414 236 N N -0.503 118.222 118.700 0.041 0.000 2.333 236 N HA -0.025 4.716 4.740 0.001 0.000 0.183 236 N C 1.636 177.157 175.510 0.018 0.000 1.030 236 N CA 0.536 53.611 53.050 0.043 0.000 0.867 236 N CB -0.110 38.407 38.487 0.049 0.000 1.027 236 N HN 0.105 nan 8.380 nan 0.000 0.435 237 K N 1.106 121.508 120.400 0.003 0.000 2.001 237 K HA 0.062 4.383 4.320 0.001 0.000 0.208 237 K C 2.041 178.628 176.600 -0.022 0.000 1.048 237 K CA 1.236 57.519 56.287 -0.008 0.000 0.932 237 K CB -0.321 32.172 32.500 -0.011 0.000 0.715 237 K HN 0.154 nan 8.250 nan 0.000 0.437 238 A N 1.557 124.352 122.820 -0.042 0.000 1.843 238 A HA -0.029 4.291 4.320 0.001 0.000 0.213 238 A C 2.148 179.701 177.584 -0.053 0.000 1.202 238 A CA 1.049 53.044 52.037 -0.070 0.000 0.607 238 A CB -0.216 18.712 19.000 -0.121 0.000 0.847 238 A HN 0.094 nan 8.150 nan 0.000 0.445 239 M N -0.659 118.919 119.600 -0.037 0.000 2.562 239 M HA 0.039 4.520 4.480 0.001 0.000 0.257 239 M C 0.086 176.387 176.300 0.001 0.000 1.099 239 M CA 0.804 56.093 55.300 -0.018 0.000 1.099 239 M CB -1.233 31.368 32.600 0.001 0.000 1.427 239 M HN 0.586 nan 8.290 nan 0.000 0.489 240 E N 0.189 120.392 120.200 0.006 0.000 2.971 240 E HA -0.214 4.137 4.350 0.001 0.000 0.278 240 E C 0.003 176.621 176.600 0.031 0.000 1.009 240 E CA 0.490 56.900 56.400 0.017 0.000 0.862 240 E CB -1.636 28.070 29.700 0.009 0.000 1.436 240 E HN 0.426 nan 8.360 nan 0.000 0.434 241 E N 1.501 121.726 120.200 0.042 0.000 2.366 241 E HA 0.129 4.480 4.350 0.001 0.000 0.266 241 E C -2.447 174.198 176.600 0.076 0.000 1.015 241 E CA -1.966 54.466 56.400 0.053 0.000 0.906 241 E CB 0.644 30.382 29.700 0.064 0.000 0.979 241 E HN -0.109 nan 8.360 nan 0.000 0.443 242 P HA 0.024 nan 4.420 nan 0.000 0.268 242 P C -1.124 176.245 177.300 0.116 0.000 1.205 242 P CA 0.128 63.276 63.100 0.080 0.000 0.771 242 P CB 0.259 31.982 31.700 0.039 0.000 0.858 243 F N 3.548 123.500 119.950 0.004 0.000 2.420 243 F HA 0.393 4.920 4.527 0.001 0.000 0.342 243 F C -0.524 175.277 175.800 0.002 0.000 1.113 243 F CA -0.708 57.292 58.000 -0.001 0.000 1.059 243 F CB 0.632 39.636 39.000 0.006 0.000 1.128 243 F HN 0.058 nan 8.300 nan 0.000 0.475 244 L N 5.588 126.414 121.223 -0.662 0.000 2.259 244 L HA 0.237 4.578 4.340 0.001 0.000 0.288 244 L C -0.505 176.102 176.870 -0.438 0.000 1.051 244 L CA -0.739 53.867 54.840 -0.390 0.000 0.824 244 L CB 0.692 42.581 42.059 -0.284 0.000 1.206 244 L HN 0.586 nan 8.230 nan 0.000 0.429 245 D N 4.131 124.504 120.400 -0.045 0.000 2.390 245 D HA 0.126 4.767 4.640 0.001 0.000 0.249 245 D C 0.408 176.765 176.300 0.096 0.000 1.144 245 D CA 0.031 54.110 54.000 0.132 0.000 0.880 245 D CB 0.855 41.761 40.800 0.176 0.000 1.182 245 D HN 0.347 nan 8.370 nan 0.000 0.451 246 M N 2.987 122.688 119.600 0.169 0.000 2.778 246 M HA 0.051 4.532 4.480 0.001 0.000 0.359 246 M C 1.145 177.563 176.300 0.197 0.000 1.216 246 M CA -0.095 55.335 55.300 0.216 0.000 0.935 246 M CB 0.036 32.830 32.600 0.323 0.000 1.330 246 M HN 0.485 nan 8.290 nan 0.000 0.516 247 S N 0.014 115.795 115.700 0.135 0.000 2.555 247 S HA -0.106 4.365 4.470 0.001 0.000 0.230 247 S C 1.112 175.728 174.600 0.027 0.000 0.978 247 S CA 0.956 59.215 58.200 0.099 0.000 0.934 247 S CB -0.487 62.765 63.200 0.086 0.000 0.766 247 S HN 0.534 nan 8.310 nan 0.000 0.533 248 D N 0.470 120.843 120.400 -0.046 0.000 2.371 248 D HA -0.125 4.515 4.640 0.001 0.000 0.221 248 D C 1.243 177.303 176.300 -0.400 0.000 0.986 248 D CA 0.828 54.706 54.000 -0.205 0.000 0.899 248 D CB -0.517 40.135 40.800 -0.246 0.000 0.902 248 D HN 0.580 nan 8.370 nan 0.000 0.530 249 H N -0.602 118.505 119.070 0.062 0.000 2.927 249 H HA 0.368 4.925 4.556 0.001 0.000 0.255 249 H C 0.202 175.571 175.328 0.068 0.000 0.974 249 H CA -0.024 56.057 56.048 0.055 0.000 1.199 249 H CB 1.532 31.328 29.762 0.056 0.000 1.447 249 H HN 0.058 nan 8.280 nan 0.000 0.467 250 L N 1.939 123.272 121.223 0.184 0.000 2.406 250 L HA 0.253 4.594 4.340 0.001 0.000 0.270 250 L C 0.781 177.719 176.870 0.113 0.000 0.982 250 L CA -0.156 54.773 54.840 0.149 0.000 0.843 250 L CB 2.680 44.867 42.059 0.213 0.000 1.225 250 L HN -0.051 nan 8.230 nan 0.000 0.412 251 L N 0.987 122.241 121.223 0.052 0.000 2.341 251 L HA 0.086 4.427 4.340 0.001 0.000 0.214 251 L C 0.602 177.559 176.870 0.144 0.000 1.115 251 L CA 0.383 55.292 54.840 0.116 0.000 0.820 251 L CB -0.199 41.948 42.059 0.147 0.000 0.944 251 L HN 0.625 nan 8.230 nan 0.000 0.452 252 N N 1.621 120.396 118.700 0.125 0.000 2.470 252 N HA 0.052 4.793 4.740 0.001 0.000 0.268 252 N C -0.079 175.546 175.510 0.191 0.000 1.136 252 N CA 0.220 53.346 53.050 0.126 0.000 0.961 252 N CB 1.122 39.728 38.487 0.199 0.000 1.067 252 N HN 0.203 nan 8.380 nan 0.000 0.468 253 D N -1.733 118.706 120.400 0.065 0.000 2.538 253 D HA 0.152 4.793 4.640 0.001 0.000 0.241 253 D C -0.586 175.634 176.300 -0.133 0.000 1.297 253 D CA -0.168 53.895 54.000 0.105 0.000 0.804 253 D CB 0.071 40.868 40.800 -0.005 0.000 1.122 253 D HN 0.125 nan 8.370 nan 0.000 0.519 254 S N -0.713 114.733 115.700 -0.424 0.000 2.570 254 S HA 0.898 5.368 4.470 0.001 0.000 0.270 254 S C -1.421 172.649 174.600 -0.884 0.000 1.149 254 S CA -0.539 57.087 58.200 -0.956 0.000 0.837 254 S CB 2.068 64.450 63.200 -1.362 0.000 1.124 254 S HN 0.489 nan 8.310 nan 0.000 0.465 255 A N 0.708 123.093 122.820 -0.726 0.000 2.574 255 A HA 0.849 5.170 4.320 0.001 0.000 0.297 255 A C -1.520 175.944 177.584 -0.201 0.000 1.062 255 A CA -0.744 51.106 52.037 -0.312 0.000 0.686 255 A CB 1.593 20.532 19.000 -0.102 0.000 1.285 255 A HN 1.106 nan 8.150 nan 0.000 0.403 256 V N 0.881 120.621 119.914 -0.291 0.000 2.540 256 V HA 0.907 5.028 4.120 0.001 0.000 0.302 256 V C -0.239 175.392 176.094 -0.772 0.000 1.035 256 V CA 0.326 62.390 62.300 -0.394 0.000 0.873 256 V CB 1.218 32.843 31.823 -0.330 0.000 0.992 256 V HN 2.206 nan 8.190 nan 0.000 0.428 257 A N 4.341 126.905 122.820 -0.426 0.000 2.539 257 A HA 0.938 5.259 4.320 0.001 0.000 0.296 257 A C -0.453 177.158 177.584 0.045 0.000 1.073 257 A CA -0.075 51.781 52.037 -0.302 0.000 0.700 257 A CB 2.333 21.294 19.000 -0.065 0.000 1.296 257 A HN 1.176 nan 8.150 nan 0.000 0.405 258 T N -0.525 114.137 114.554 0.181 0.000 2.645 258 T HA 0.577 4.928 4.350 0.001 0.000 0.300 258 T C -1.703 173.028 174.700 0.052 0.000 1.210 258 T CA -0.322 61.864 62.100 0.144 0.000 1.034 258 T CB 1.568 70.538 68.868 0.170 0.000 1.537 258 T HN 0.855 nan 8.240 nan 0.000 0.492 259 Q N 1.399 121.176 119.800 -0.039 0.000 2.356 259 Q HA 0.695 5.035 4.340 0.001 0.000 0.270 259 Q C -1.881 173.933 176.000 -0.309 0.000 1.058 259 Q CA -0.687 55.029 55.803 -0.146 0.000 0.802 259 Q CB 1.986 30.699 28.738 -0.042 0.000 1.303 259 Q HN 0.510 nan 8.270 nan 0.000 0.444 260 V N 5.139 124.680 119.914 -0.621 0.000 2.448 260 V HA 0.421 4.542 4.120 0.001 0.000 0.295 260 V C -2.289 173.493 176.094 -0.520 0.000 1.025 260 V CA -1.958 59.914 62.300 -0.712 0.000 0.859 260 V CB 1.453 32.463 31.823 -1.356 0.000 0.988 260 V HN 0.795 nan 8.190 nan 0.000 0.431 261 P HA 0.090 nan 4.420 nan 0.000 0.267 261 P C -0.689 176.598 177.300 -0.021 0.000 1.200 261 P CA 0.347 63.381 63.100 -0.110 0.000 0.772 261 P CB 0.241 31.898 31.700 -0.071 0.000 0.855 262 H N 1.872 120.918 119.070 -0.041 0.000 2.759 262 H HA 0.188 4.744 4.556 0.001 0.000 0.354 262 H C -1.113 174.225 175.328 0.016 0.000 1.074 262 H CA -0.586 55.486 56.048 0.040 0.000 1.226 262 H CB 1.537 31.384 29.762 0.143 0.000 1.648 262 H HN 0.265 nan 8.280 nan 0.000 0.529 263 D N 3.578 123.725 120.400 -0.423 0.000 2.422 263 D HA 0.049 4.690 4.640 0.001 0.000 0.227 263 D C 0.296 176.407 176.300 -0.316 0.000 1.190 263 D CA -0.064 53.772 54.000 -0.273 0.000 0.905 263 D CB 0.572 41.245 40.800 -0.213 0.000 1.034 263 D HN 0.490 nan 8.370 nan 0.000 0.507 264 D N 2.361 122.706 120.400 -0.091 0.000 2.224 264 D HA -0.111 4.530 4.640 0.001 0.000 0.205 264 D C 1.010 177.000 176.300 -0.516 0.000 0.965 264 D CA 0.559 54.487 54.000 -0.119 0.000 0.852 264 D CB 0.307 41.121 40.800 0.024 0.000 0.947 264 D HN 0.478 nan 8.370 nan 0.000 0.494 265 D N 0.490 120.707 120.400 -0.304 0.000 2.178 265 D HA -0.063 4.578 4.640 0.001 0.000 0.202 265 D C 1.935 178.144 176.300 -0.152 0.000 0.974 265 D CA 0.965 54.841 54.000 -0.207 0.000 0.841 265 D CB -0.036 40.755 40.800 -0.016 0.000 0.953 265 D HN 0.163 nan 8.370 nan 0.000 0.478 266 A N 0.257 122.992 122.820 -0.141 0.000 1.975 266 A HA -0.017 4.303 4.320 0.001 0.000 0.215 266 A C 1.685 179.221 177.584 -0.080 0.000 1.170 266 A CA 0.958 52.939 52.037 -0.094 0.000 0.656 266 A CB -0.203 18.741 19.000 -0.094 0.000 0.821 266 A HN 0.204 nan 8.150 nan 0.000 0.449 267 N N -1.935 116.703 118.700 -0.104 0.000 2.210 267 N HA 0.397 5.138 4.740 0.001 0.000 0.203 267 N C 0.707 176.239 175.510 0.037 0.000 1.175 267 N CA 0.417 53.463 53.050 -0.007 0.000 0.894 267 N CB 0.967 39.472 38.487 0.029 0.000 1.041 267 N HN 0.614 nan 8.380 nan 0.000 0.506 268 G N 0.535 109.297 108.800 -0.063 0.000 2.796 268 G HA2 -0.205 3.756 3.960 0.001 0.000 0.226 268 G HA3 -0.205 3.756 3.960 0.001 0.000 0.226 268 G C -0.839 174.100 174.900 0.066 0.000 1.381 268 G CA -0.545 44.536 45.100 -0.031 0.000 0.867 268 G HN 0.066 nan 8.290 nan 0.000 0.552 269 V N 0.377 120.330 119.914 0.066 0.000 2.588 269 V HA 0.510 4.631 4.120 0.001 0.000 0.304 269 V C 0.185 176.229 176.094 -0.083 0.000 1.042 269 V CA -0.701 61.594 62.300 -0.009 0.000 0.877 269 V CB 1.767 33.636 31.823 0.077 0.000 0.996 269 V HN 0.791 nan 8.190 nan 0.000 0.425 270 E N 6.142 126.185 120.200 -0.261 0.000 2.259 270 E HA 0.208 4.559 4.350 0.001 0.000 0.281 270 E C -2.016 174.327 176.600 -0.427 0.000 1.037 270 E CA -1.604 54.476 56.400 -0.534 0.000 0.854 270 E CB 1.096 30.122 29.700 -1.123 0.000 1.051 270 E HN 0.470 nan 8.360 nan 0.000 0.409 271 P HA 0.014 nan 4.420 nan 0.000 0.254 271 P C -1.200 176.185 177.300 0.141 0.000 1.631 271 P CA 0.203 63.304 63.100 0.003 0.000 0.861 271 P CB -0.684 31.055 31.700 0.065 0.000 1.663 272 F N -4.148 115.915 119.950 0.188 0.000 2.665 272 F HA 0.502 5.030 4.527 0.001 0.000 0.308 272 F C -0.587 175.386 175.800 0.289 0.000 1.112 272 F CA -1.317 56.796 58.000 0.189 0.000 0.972 272 F CB 0.232 39.307 39.000 0.124 0.000 1.295 272 F HN -0.465 nan 8.300 nan 0.000 0.440 273 T N 1.810 116.657 114.554 0.489 0.000 2.884 273 T HA 0.443 4.794 4.350 0.001 0.000 0.298 273 T C -0.152 174.730 174.700 0.303 0.000 0.998 273 T CA -0.340 61.936 62.100 0.292 0.000 1.124 273 T CB 0.852 69.878 68.868 0.263 0.000 0.931 273 T HN 0.655 nan 8.240 nan 0.000 0.531 274 S N 1.947 117.813 115.700 0.276 0.000 2.541 274 S HA 0.649 5.119 4.470 0.001 0.000 0.283 274 S C -0.071 174.678 174.600 0.248 0.000 1.196 274 S CA -0.929 57.410 58.200 0.231 0.000 1.062 274 S CB 1.336 64.704 63.200 0.280 0.000 1.009 274 S HN 0.869 nan 8.310 nan 0.000 0.502 275 A N 3.375 126.249 122.820 0.090 0.000 2.323 275 A HA 0.674 4.995 4.320 0.001 0.000 0.305 275 A C -0.560 177.389 177.584 0.608 0.000 1.275 275 A CA -0.601 51.656 52.037 0.366 0.000 0.804 275 A CB 0.048 18.909 19.000 -0.232 0.000 1.152 275 A HN 0.825 nan 8.150 nan 0.000 0.487 276 I N 2.798 123.762 120.570 0.657 0.000 2.355 276 I HA 0.421 4.591 4.170 0.001 0.000 0.288 276 I C 0.845 177.150 176.117 0.313 0.000 0.999 276 I CA -0.416 61.123 61.300 0.399 0.000 1.163 276 I CB 1.767 39.897 38.000 0.217 0.000 1.316 276 I HN 0.709 nan 8.210 nan 0.000 0.454 277 A N 8.393 131.214 122.820 0.000 0.000 2.511 277 A HA 0.515 4.835 4.320 0.001 0.000 0.242 277 A C 0.127 177.716 177.584 0.008 0.000 1.069 277 A CA 0.188 52.085 52.037 -0.233 0.000 0.763 277 A CB 0.260 18.819 19.000 -0.736 0.000 1.001 277 A HN 0.667 nan 8.150 nan 0.000 0.498 278 M N 1.252 120.941 119.600 0.147 0.000 2.852 278 M HA 0.356 4.836 4.480 0.001 0.000 0.301 278 M C 0.883 177.326 176.300 0.238 0.000 1.229 278 M CA -0.617 54.689 55.300 0.011 0.000 0.832 278 M CB 1.080 33.479 32.600 -0.335 0.000 1.726 278 M HN 0.759 nan 8.290 nan 0.000 0.497 279 K N 0.102 120.581 120.400 0.133 0.000 2.148 279 K HA 0.023 4.344 4.320 0.001 0.000 0.204 279 K C 0.690 177.337 176.600 0.077 0.000 1.050 279 K CA 1.128 57.557 56.287 0.236 0.000 0.942 279 K CB 0.130 32.712 32.500 0.137 0.000 0.724 279 K HN 0.445 nan 8.250 nan 0.000 0.446 280 S N -0.255 115.373 115.700 -0.119 0.000 2.902 280 S HA 0.321 4.792 4.470 0.001 0.000 0.250 280 S C 0.002 173.915 174.600 -1.145 0.000 1.046 280 S CA -0.166 57.646 58.200 -0.646 0.000 1.069 280 S CB 1.514 64.629 63.200 -0.141 0.000 0.967 280 S HN 0.523 nan 8.310 nan 0.000 0.530 281 G N 1.454 109.733 108.800 -0.868 0.000 2.564 281 G HA2 0.338 4.298 3.960 0.001 0.000 0.139 281 G HA3 0.338 4.298 3.960 0.001 0.000 0.139 281 G C -2.128 172.985 174.900 0.355 0.000 1.147 281 G CA -0.235 44.651 45.100 -0.357 0.000 1.031 281 G HN 0.389 nan 8.290 nan 0.000 0.482 282 W N -0.559 120.970 121.300 0.381 0.000 3.074 282 W HA 0.755 5.415 4.660 0.002 0.000 0.332 282 W C -1.628 175.155 176.519 0.440 0.000 1.253 282 W CA -0.891 56.669 57.345 0.358 0.000 1.180 282 W CB 0.754 30.520 29.460 0.510 0.000 1.445 282 W HN 0.697 nan 8.180 nan 0.000 0.573 283 T N 2.523 117.289 114.554 0.354 0.000 2.824 283 T HA 0.376 4.726 4.350 0.001 0.000 0.282 283 T C -0.750 174.213 174.700 0.439 0.000 0.993 283 T CA -0.204 61.986 62.100 0.150 0.000 0.967 283 T CB 0.984 69.944 68.868 0.154 0.000 0.960 283 T HN 0.398 nan 8.240 nan 0.000 0.441 284 W N 3.096 124.540 121.300 0.241 0.000 2.237 284 W HA 0.718 5.379 4.660 0.001 0.000 0.335 284 W C -0.360 176.382 176.519 0.370 0.000 1.230 284 W CA -1.099 56.498 57.345 0.420 0.000 1.253 284 W CB 0.482 30.160 29.460 0.363 0.000 1.129 284 W HN 0.472 nan 8.180 nan 0.000 0.590 285 K N 4.200 124.939 120.400 0.564 0.000 2.507 285 K HA 0.498 4.819 4.320 0.001 0.000 0.252 285 K C -1.699 175.025 176.600 0.206 0.000 0.943 285 K CA -0.710 55.786 56.287 0.349 0.000 0.808 285 K CB 1.013 33.603 32.500 0.151 0.000 1.142 285 K HN 0.809 nan 8.250 nan 0.000 0.426 286 I N 6.586 127.257 120.570 0.169 0.000 2.537 286 I HA 0.251 4.422 4.170 0.001 0.000 0.276 286 I C -2.344 173.666 176.117 -0.180 0.000 1.063 286 I CA -2.421 58.760 61.300 -0.199 0.000 1.144 286 I CB 1.772 39.721 38.000 -0.084 0.000 1.252 286 I HN 0.369 nan 8.210 nan 0.000 0.480 287 P HA 0.197 nan 4.420 nan 0.000 0.267 287 P C -0.407 176.912 177.300 0.032 0.000 1.205 287 P CA 0.401 63.445 63.100 -0.093 0.000 0.765 287 P CB 0.693 32.301 31.700 -0.154 0.000 0.828 288 M N 1.896 121.535 119.600 0.065 0.000 2.561 288 M HA 0.408 4.888 4.480 0.001 0.000 0.266 288 M C -0.241 176.092 176.300 0.055 0.000 0.983 288 M CA -1.027 54.329 55.300 0.093 0.000 1.080 288 M CB 0.624 33.285 32.600 0.103 0.000 1.554 288 M HN -0.002 nan 8.290 nan 0.000 0.604 289 L N 1.375 122.609 121.223 0.017 0.000 2.261 289 L HA 0.413 4.754 4.340 0.001 0.000 0.289 289 L C 0.828 177.718 176.870 0.034 0.000 1.059 289 L CA -0.249 54.589 54.840 -0.004 0.000 0.816 289 L CB 0.169 42.152 42.059 -0.127 0.000 1.191 289 L HN 1.052 nan 8.230 nan 0.000 0.431 290 G N 2.887 111.740 108.800 0.088 0.000 2.155 290 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 290 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 290 G C 0.178 175.138 174.900 0.101 0.000 0.983 290 G CA 0.604 45.763 45.100 0.099 0.000 0.676 290 G HN 0.843 nan 8.290 nan 0.000 0.528 291 R N -1.523 119.041 120.500 0.107 0.000 2.709 291 R HA 0.622 4.963 4.340 0.001 0.000 0.270 291 R C -1.079 175.261 176.300 0.067 0.000 1.038 291 R CA -0.746 55.377 56.100 0.037 0.000 0.872 291 R CB 0.518 30.805 30.300 -0.022 0.000 1.259 291 R HN 0.868 nan 8.270 nan 0.000 0.473 292 F N -0.700 119.197 119.950 -0.088 0.000 2.551 292 F HA 0.827 5.355 4.527 0.001 0.000 0.316 292 F C -0.136 175.613 175.800 -0.085 0.000 1.089 292 F CA -0.972 56.948 58.000 -0.134 0.000 0.915 292 F CB 1.993 40.846 39.000 -0.244 0.000 1.186 292 F HN 0.691 nan 8.300 nan 0.000 0.456 293 G N 0.476 109.391 108.800 0.191 0.000 2.400 293 G HA2 0.515 4.476 3.960 0.001 0.000 0.301 293 G HA3 0.515 4.476 3.960 0.001 0.000 0.301 293 G C -1.304 173.826 174.900 0.383 0.000 1.154 293 G CA -0.616 44.630 45.100 0.244 0.000 0.852 293 G HN 0.947 nan 8.290 nan 0.000 0.511 294 T N -0.633 114.046 114.554 0.209 0.000 2.982 294 T HA 0.690 5.041 4.350 0.001 0.000 0.321 294 T C -0.433 173.965 174.700 -0.503 0.000 1.229 294 T CA 0.058 62.116 62.100 -0.071 0.000 1.044 294 T CB 1.458 70.374 68.868 0.080 0.000 1.184 294 T HN 1.331 nan 8.240 nan 0.000 0.477 295 G N 2.644 110.531 108.800 -1.521 0.000 2.753 295 G HA2 0.488 4.449 3.960 0.001 0.000 0.295 295 G HA3 0.488 4.449 3.960 0.001 0.000 0.295 295 G C -2.034 172.202 174.900 -1.106 0.000 1.437 295 G CA -0.555 43.507 45.100 -1.731 0.000 1.094 295 G HN 0.631 nan 8.290 nan 0.000 0.540 296 Y N 3.729 123.449 120.300 -0.967 0.000 2.504 296 Y HA 0.474 5.025 4.550 0.001 0.000 0.351 296 Y C -0.012 175.688 175.900 -0.333 0.000 0.988 296 Y CA -1.263 56.534 58.100 -0.504 0.000 1.239 296 Y CB 0.832 39.084 38.460 -0.347 0.000 1.128 296 Y HN 0.280 nan 8.280 nan 0.000 0.525 297 V N 9.705 129.486 119.914 -0.222 0.000 2.455 297 V HA 0.173 4.294 4.120 0.001 0.000 0.273 297 V C -0.469 175.504 176.094 -0.202 0.000 1.045 297 V CA -0.100 62.103 62.300 -0.160 0.000 0.976 297 V CB -0.821 30.879 31.823 -0.206 0.000 0.993 297 V HN 0.683 nan 8.190 nan 0.000 0.475 298 Y N 2.067 122.112 120.300 -0.425 0.000 2.644 298 Y HA 0.746 5.297 4.550 0.001 0.000 0.338 298 Y C -0.240 175.498 175.900 -0.270 0.000 1.119 298 Y CA -1.275 56.489 58.100 -0.560 0.000 1.060 298 Y CB 1.803 39.640 38.460 -1.038 0.000 1.294 298 Y HN 0.340 nan 8.280 nan 0.000 0.472 299 S N 1.012 116.626 115.700 -0.143 0.000 2.422 299 S HA 0.220 4.690 4.470 0.001 0.000 0.298 299 S C 0.936 175.564 174.600 0.047 0.000 1.118 299 S CA -0.051 58.153 58.200 0.006 0.000 1.083 299 S CB 0.348 63.763 63.200 0.359 0.000 0.971 299 S HN 0.986 nan 8.310 nan 0.000 0.478 300 S N 5.350 120.980 115.700 -0.116 0.000 2.465 300 S HA -0.092 4.379 4.470 0.001 0.000 0.241 300 S C 1.616 176.187 174.600 -0.048 0.000 1.000 300 S CA 0.543 58.719 58.200 -0.041 0.000 0.964 300 S CB -0.285 62.846 63.200 -0.115 0.000 0.763 300 S HN 0.807 nan 8.310 nan 0.000 0.512 301 R N -0.677 119.764 120.500 -0.098 0.000 2.235 301 R HA 0.125 4.465 4.340 0.001 0.000 0.213 301 R C 0.663 176.587 176.300 -0.627 0.000 1.059 301 R CA 1.190 57.065 56.100 -0.376 0.000 0.997 301 R CB -0.177 29.819 30.300 -0.508 0.000 0.884 301 R HN 0.559 nan 8.270 nan 0.000 0.462 302 F N -1.569 118.415 119.950 0.057 0.000 2.784 302 F HA 0.386 4.914 4.527 0.001 0.000 0.323 302 F C 0.322 176.145 175.800 0.039 0.000 1.085 302 F CA -0.378 57.661 58.000 0.065 0.000 1.196 302 F CB 0.897 39.974 39.000 0.128 0.000 1.053 302 F HN -0.196 nan 8.300 nan 0.000 0.578 303 A N 0.166 123.082 122.820 0.161 0.000 2.520 303 A HA 0.601 4.921 4.320 0.001 0.000 0.298 303 A C -0.035 177.577 177.584 0.048 0.000 1.051 303 A CA -0.464 51.611 52.037 0.063 0.000 0.690 303 A CB 0.413 19.390 19.000 -0.038 0.000 1.281 303 A HN 0.061 nan 8.150 nan 0.000 0.402 304 T N -1.091 113.454 114.554 -0.016 0.000 2.788 304 T HA 0.287 4.638 4.350 0.001 0.000 0.287 304 T C 0.967 175.619 174.700 -0.080 0.000 1.007 304 T CA 0.468 62.560 62.100 -0.013 0.000 1.005 304 T CB 0.943 69.796 68.868 -0.026 0.000 1.012 304 T HN 0.755 nan 8.240 nan 0.000 0.530 305 E N 0.276 120.461 120.200 -0.025 0.000 2.085 305 E HA -0.230 4.121 4.350 0.001 0.000 0.194 305 E C 1.302 177.817 176.600 -0.142 0.000 0.994 305 E CA 1.596 57.953 56.400 -0.073 0.000 0.801 305 E CB -0.132 29.569 29.700 0.001 0.000 0.743 305 E HN 0.697 nan 8.360 nan 0.000 0.453 306 D N 0.492 120.843 120.400 -0.083 0.000 2.097 306 D HA -0.162 4.479 4.640 0.001 0.000 0.195 306 D C 1.807 178.060 176.300 -0.079 0.000 0.989 306 D CA 1.163 55.125 54.000 -0.064 0.000 0.827 306 D CB -0.236 40.543 40.800 -0.036 0.000 0.966 306 D HN 0.306 nan 8.370 nan 0.000 0.456 307 E N 0.486 120.631 120.200 -0.092 0.000 2.070 307 E HA -0.201 4.149 4.350 0.001 0.000 0.197 307 E C 2.078 178.604 176.600 -0.123 0.000 1.004 307 E CA 1.253 57.601 56.400 -0.086 0.000 0.805 307 E CB -0.117 29.542 29.700 -0.069 0.000 0.744 307 E HN 0.223 nan 8.360 nan 0.000 0.451 308 A N 0.888 123.512 122.820 -0.327 0.000 1.902 308 A HA -0.148 4.173 4.320 0.001 0.000 0.217 308 A C 2.528 180.048 177.584 -0.106 0.000 1.181 308 A CA 1.208 52.978 52.037 -0.444 0.000 0.623 308 A CB -0.728 17.294 19.000 -1.631 0.000 0.818 308 A HN 0.123 nan 8.150 nan 0.000 0.443 309 V N 0.257 120.096 119.914 -0.124 0.000 2.252 309 V HA -0.341 3.780 4.120 0.001 0.000 0.249 309 V C 2.710 178.863 176.094 0.097 0.000 1.056 309 V CA 2.474 64.796 62.300 0.036 0.000 1.022 309 V CB -0.834 30.991 31.823 0.004 0.000 0.641 309 V HN 0.547 nan 8.190 nan 0.000 0.445 310 R N -0.347 120.171 120.500 0.030 0.000 2.070 310 R HA -0.183 4.157 4.340 0.001 0.000 0.233 310 R C 2.333 178.638 176.300 0.007 0.000 1.137 310 R CA 1.849 57.959 56.100 0.017 0.000 0.945 310 R CB -0.422 29.875 30.300 -0.005 0.000 0.845 310 R HN 0.622 nan 8.270 nan 0.000 0.430 311 E N 0.009 120.219 120.200 0.016 0.000 2.058 311 E HA -0.226 4.125 4.350 0.001 0.000 0.194 311 E C 1.766 178.316 176.600 -0.082 0.000 0.997 311 E CA 1.360 57.733 56.400 -0.045 0.000 0.801 311 E CB -0.217 29.472 29.700 -0.019 0.000 0.746 311 E HN 0.203 nan 8.360 nan 0.000 0.450 312 F N 0.959 120.841 119.950 -0.115 0.000 2.102 312 F HA -0.215 4.313 4.527 0.001 0.000 0.298 312 F C 2.178 177.948 175.800 -0.049 0.000 1.105 312 F CA 1.145 59.086 58.000 -0.099 0.000 1.239 312 F CB -0.476 38.570 39.000 0.077 0.000 0.991 312 F HN 0.027 nan 8.300 nan 0.000 0.474 313 C N 0.642 119.895 119.300 -0.079 0.000 2.440 313 C HA -0.109 4.352 4.460 0.001 0.000 0.278 313 C C 2.655 177.532 174.990 -0.188 0.000 1.295 313 C CA 1.105 60.031 59.018 -0.152 0.000 1.738 313 C CB -1.132 26.605 27.740 -0.006 0.000 1.987 313 C HN 0.523 nan 8.230 nan 0.000 0.492 314 E N 0.198 120.292 120.200 -0.177 0.000 2.077 314 E HA -0.247 4.103 4.350 0.001 0.000 0.193 314 E C 2.128 178.462 176.600 -0.445 0.000 0.989 314 E CA 1.090 57.362 56.400 -0.213 0.000 0.800 314 E CB -0.297 29.322 29.700 -0.135 0.000 0.746 314 E HN 0.644 nan 8.360 nan 0.000 0.452 315 M N -0.538 118.748 119.600 -0.523 0.000 2.106 315 M HA -0.196 4.284 4.480 0.001 0.000 0.259 315 M C 0.987 176.720 176.300 -0.945 0.000 1.068 315 M CA 1.846 56.678 55.300 -0.779 0.000 1.100 315 M CB -0.046 31.990 32.600 -0.940 0.000 1.351 315 M HN 0.179 nan 8.290 nan 0.000 0.404 316 W N -1.156 119.843 121.300 -0.502 0.000 3.220 316 W HA 0.170 4.831 4.660 0.001 0.000 0.328 316 W C -0.092 176.287 176.519 -0.234 0.000 1.205 316 W CA -0.509 56.633 57.345 -0.338 0.000 1.773 316 W CB 0.238 29.504 29.460 -0.324 0.000 1.086 316 W HN 0.296 nan 8.180 nan 0.000 0.622 317 H N -0.259 118.848 119.070 0.062 0.000 2.756 317 H HA -0.152 4.405 4.556 0.001 0.000 0.315 317 H C -0.306 175.040 175.328 0.030 0.000 1.210 317 H CA 0.862 56.931 56.048 0.034 0.000 1.150 317 H CB -2.153 27.635 29.762 0.044 0.000 1.463 317 H HN 0.206 nan 8.280 nan 0.000 0.427 318 L N 0.359 121.612 121.223 0.050 0.000 2.334 318 L HA 0.346 4.687 4.340 0.001 0.000 0.272 318 L C 0.943 177.826 176.870 0.021 0.000 1.020 318 L CA -0.819 54.036 54.840 0.026 0.000 0.812 318 L CB 1.436 43.483 42.059 -0.020 0.000 1.264 318 L HN -0.022 nan 8.230 nan 0.000 0.439 319 D N 3.198 123.612 120.400 0.023 0.000 2.336 319 D HA 0.127 4.767 4.640 0.001 0.000 0.249 319 D C -1.566 174.750 176.300 0.025 0.000 1.213 319 D CA -1.957 52.057 54.000 0.023 0.000 0.870 319 D CB 1.395 42.208 40.800 0.020 0.000 1.076 319 D HN 0.207 nan 8.370 nan 0.000 0.483 320 P HA -0.131 nan 4.420 nan 0.000 0.222 320 P C 0.922 178.241 177.300 0.032 0.000 1.147 320 P CA 0.683 63.806 63.100 0.038 0.000 0.790 320 P CB 0.563 32.282 31.700 0.032 0.000 0.780 321 E N 0.034 120.248 120.200 0.023 0.000 2.371 321 E HA -0.056 4.294 4.350 0.001 0.000 0.194 321 E C 1.448 178.060 176.600 0.020 0.000 1.012 321 E CA 1.379 57.790 56.400 0.019 0.000 0.860 321 E CB -0.392 29.316 29.700 0.014 0.000 0.811 321 E HN 0.312 nan 8.360 nan 0.000 0.502 322 T N -3.916 110.651 114.554 0.022 0.000 3.046 322 T HA 0.131 4.482 4.350 0.001 0.000 0.270 322 T C 0.505 175.218 174.700 0.022 0.000 0.920 322 T CA -0.426 61.686 62.100 0.020 0.000 0.874 322 T CB -0.169 68.708 68.868 0.015 0.000 1.214 322 T HN -0.037 nan 8.240 nan 0.000 0.536 323 Q N 3.500 123.317 119.800 0.029 0.000 2.300 323 Q HA 0.333 4.674 4.340 0.001 0.000 0.280 323 Q C -2.722 173.303 176.000 0.043 0.000 1.033 323 Q CA -1.385 54.437 55.803 0.032 0.000 0.903 323 Q CB 0.371 29.132 28.738 0.039 0.000 1.195 323 Q HN 0.165 nan 8.270 nan 0.000 0.386 324 P HA 0.077 nan 4.420 nan 0.000 0.265 324 P C -1.228 176.113 177.300 0.070 0.000 1.222 324 P CA 0.470 63.597 63.100 0.045 0.000 0.767 324 P CB 0.335 32.056 31.700 0.035 0.000 0.801 325 L N 3.595 124.861 121.223 0.071 0.000 2.381 325 L HA 0.449 4.790 4.340 0.001 0.000 0.268 325 L C 0.089 176.991 176.870 0.054 0.000 0.997 325 L CA -0.906 53.983 54.840 0.081 0.000 0.818 325 L CB 1.940 44.051 42.059 0.086 0.000 1.310 325 L HN 0.170 nan 8.230 nan 0.000 0.416 326 N N 2.239 120.968 118.700 0.048 0.000 2.426 326 N HA 0.339 5.080 4.740 0.001 0.000 0.257 326 N C -0.765 174.735 175.510 -0.016 0.000 1.002 326 N CA -0.464 52.609 53.050 0.038 0.000 0.942 326 N CB 1.288 39.826 38.487 0.084 0.000 1.112 326 N HN 0.415 nan 8.380 nan 0.000 0.499 327 R N 2.246 122.732 120.500 -0.023 0.000 2.207 327 R HA 0.515 4.855 4.340 0.001 0.000 0.334 327 R C -0.251 175.994 176.300 -0.090 0.000 1.013 327 R CA -0.299 55.765 56.100 -0.059 0.000 0.858 327 R CB 0.758 31.036 30.300 -0.037 0.000 1.094 327 R HN 0.476 nan 8.270 nan 0.000 0.457 328 I N 2.207 122.666 120.570 -0.186 0.000 2.465 328 I HA 0.398 4.569 4.170 0.001 0.000 0.291 328 I C -0.186 175.646 176.117 -0.475 0.000 1.014 328 I CA -1.004 60.129 61.300 -0.277 0.000 1.093 328 I CB 1.890 39.702 38.000 -0.314 0.000 1.267 328 I HN 0.303 nan 8.210 nan 0.000 0.431 329 R N 5.518 125.796 120.500 -0.369 0.000 2.255 329 R HA 0.544 4.884 4.340 0.001 0.000 0.326 329 R C -1.489 174.531 176.300 -0.466 0.000 0.986 329 R CA -0.281 55.564 56.100 -0.425 0.000 0.847 329 R CB 0.402 30.541 30.300 -0.269 0.000 1.111 329 R HN 0.269 nan 8.270 nan 0.000 0.452 330 F N 2.411 122.116 119.950 -0.408 0.000 2.370 330 F HA 0.443 4.970 4.527 0.001 0.000 0.324 330 F C 1.000 176.268 175.800 -0.888 0.000 1.116 330 F CA -0.609 56.916 58.000 -0.792 0.000 1.123 330 F CB 0.802 39.547 39.000 -0.425 0.000 1.238 330 F HN 0.329 nan 8.300 nan 0.000 0.536 331 R N 1.823 121.544 120.500 -1.298 0.000 2.233 331 R HA 0.536 4.877 4.340 0.001 0.000 0.334 331 R C -1.808 174.469 176.300 -0.039 0.000 1.037 331 R CA -0.322 55.374 56.100 -0.672 0.000 0.920 331 R CB 0.465 30.252 30.300 -0.855 0.000 1.137 331 R HN 0.515 nan 8.270 nan 0.000 0.492 332 V N 4.898 124.980 119.914 0.280 0.000 2.406 332 V HA 0.688 4.809 4.120 0.001 0.000 0.272 332 V C 0.912 177.371 176.094 0.609 0.000 1.043 332 V CA 0.424 63.059 62.300 0.558 0.000 0.915 332 V CB 0.776 32.874 31.823 0.459 0.000 0.988 332 V HN 1.093 nan 8.190 nan 0.000 0.466 333 G N 5.317 114.456 108.800 0.565 0.000 2.291 333 G HA2 0.249 4.210 3.960 0.001 0.000 0.249 333 G HA3 0.249 4.210 3.960 0.001 0.000 0.249 333 G C -0.966 173.534 174.900 -0.668 0.000 1.340 333 G CA -0.323 44.796 45.100 0.032 0.000 1.017 333 G HN 1.005 nan 8.290 nan 0.000 0.470 334 R N -0.656 119.156 120.500 -1.147 0.000 2.739 334 R HA 0.641 4.982 4.340 0.001 0.000 0.271 334 R C -0.793 174.989 176.300 -0.863 0.000 1.010 334 R CA -1.060 54.476 56.100 -0.940 0.000 0.897 334 R CB 0.764 30.455 30.300 -1.015 0.000 1.236 334 R HN 0.455 nan 8.270 nan 0.000 0.466 335 N N 1.323 119.836 118.700 -0.312 0.000 2.441 335 N HA -0.031 4.710 4.740 0.001 0.000 0.251 335 N C 0.606 176.021 175.510 -0.159 0.000 1.242 335 N CA 0.034 53.011 53.050 -0.122 0.000 0.898 335 N CB 0.791 39.314 38.487 0.060 0.000 1.100 335 N HN 0.652 nan 8.380 nan 0.000 0.443 336 R N 1.506 121.946 120.500 -0.099 0.000 2.096 336 R HA -0.119 4.222 4.340 0.001 0.000 0.240 336 R C -0.152 176.125 176.300 -0.038 0.000 1.139 336 R CA 1.523 57.583 56.100 -0.068 0.000 0.952 336 R CB 0.248 30.528 30.300 -0.033 0.000 0.854 336 R HN 0.523 nan 8.270 nan 0.000 0.436 337 R N -1.693 118.807 120.500 -0.001 0.000 2.575 337 R HA 0.331 4.672 4.340 0.001 0.000 0.293 337 R C 0.164 176.520 176.300 0.092 0.000 0.983 337 R CA 0.030 56.150 56.100 0.034 0.000 0.887 337 R CB 1.873 32.194 30.300 0.034 0.000 1.184 337 R HN 0.125 nan 8.270 nan 0.000 0.445 338 A N 2.867 125.771 122.820 0.139 0.000 1.930 338 A HA -0.094 4.227 4.320 0.001 0.000 0.217 338 A C 0.039 177.845 177.584 0.369 0.000 1.175 338 A CA 1.053 53.232 52.037 0.236 0.000 0.627 338 A CB -0.023 19.134 19.000 0.260 0.000 0.815 338 A HN 0.682 nan 8.150 nan 0.000 0.443 339 W N -0.317 121.083 121.300 0.167 0.000 2.683 339 W HA 0.567 5.227 4.660 0.001 0.000 0.329 339 W C -1.939 174.592 176.519 0.021 0.000 1.037 339 W CA -1.711 55.666 57.345 0.054 0.000 1.232 339 W CB 1.286 30.714 29.460 -0.054 0.000 1.390 339 W HN -0.076 nan 8.180 nan 0.000 0.465 340 V N 7.670 127.824 119.914 0.399 0.000 2.623 340 V HA 0.714 4.835 4.120 0.001 0.000 0.304 340 V C 0.792 177.006 176.094 0.200 0.000 1.054 340 V CA 0.075 62.468 62.300 0.156 0.000 0.882 340 V CB 0.942 32.821 31.823 0.094 0.000 1.002 340 V HN 1.115 nan 8.190 nan 0.000 0.424 341 G N 5.021 113.869 108.800 0.079 0.000 2.634 341 G HA2 -0.343 3.618 3.960 0.001 0.000 0.318 341 G HA3 -0.343 3.618 3.960 0.001 0.000 0.318 341 G C 0.483 175.544 174.900 0.268 0.000 1.207 341 G CA 0.884 46.044 45.100 0.100 0.000 0.987 341 G HN 1.326 nan 8.290 nan 0.000 0.547 342 N N 0.275 119.114 118.700 0.232 0.000 2.328 342 N HA 0.331 5.071 4.740 0.001 0.000 0.247 342 N C -0.110 175.507 175.510 0.179 0.000 1.165 342 N CA 0.624 53.825 53.050 0.251 0.000 0.873 342 N CB 0.042 38.653 38.487 0.207 0.000 1.125 342 N HN 0.929 nan 8.380 nan 0.000 0.513 343 C N 1.095 120.498 119.300 0.172 0.000 2.322 343 C HA 0.674 5.134 4.460 0.001 0.000 0.324 343 C C -0.664 174.318 174.990 -0.014 0.000 1.249 343 C CA -0.417 58.644 59.018 0.071 0.000 1.453 343 C CB -0.192 27.585 27.740 0.062 0.000 2.145 343 C HN 0.179 nan 8.230 nan 0.000 0.466 344 V N 6.903 126.679 119.914 -0.230 0.000 2.384 344 V HA 0.511 4.632 4.120 0.001 0.000 0.287 344 V C 0.460 176.499 176.094 -0.092 0.000 1.020 344 V CA -0.201 61.910 62.300 -0.315 0.000 0.850 344 V CB 1.705 33.081 31.823 -0.745 0.000 0.987 344 V HN 0.985 nan 8.190 nan 0.000 0.436 345 S N 6.116 121.840 115.700 0.041 0.000 2.537 345 S HA 0.734 5.204 4.470 0.001 0.000 0.275 345 S C -0.637 174.006 174.600 0.071 0.000 1.272 345 S CA -0.609 57.625 58.200 0.057 0.000 1.050 345 S CB 1.083 64.338 63.200 0.092 0.000 0.961 345 S HN 0.471 nan 8.310 nan 0.000 0.496 346 I N 2.477 123.065 120.570 0.030 0.000 2.512 346 I HA 0.667 4.837 4.170 0.001 0.000 0.287 346 I C 0.832 176.959 176.117 0.016 0.000 1.069 346 I CA 0.283 61.596 61.300 0.022 0.000 1.056 346 I CB 0.715 38.704 38.000 -0.018 0.000 1.229 346 I HN 1.165 nan 8.210 nan 0.000 0.429 347 G N 5.029 113.854 108.800 0.042 0.000 2.451 347 G HA2 -0.233 3.728 3.960 0.001 0.000 0.208 347 G HA3 -0.233 3.728 3.960 0.001 0.000 0.208 347 G C 0.576 175.538 174.900 0.103 0.000 1.248 347 G CA 0.095 45.229 45.100 0.056 0.000 0.989 347 G HN 0.725 nan 8.290 nan 0.000 0.559 348 T N -1.248 113.339 114.554 0.054 0.000 3.085 348 T HA 0.156 4.507 4.350 0.001 0.000 0.263 348 T C 2.532 177.305 174.700 0.123 0.000 1.127 348 T CA 2.103 64.259 62.100 0.094 0.000 1.103 348 T CB -0.366 68.320 68.868 -0.303 0.000 0.921 348 T HN 1.867 nan 8.240 nan 0.000 0.510 349 S N 0.978 116.713 115.700 0.058 0.000 2.447 349 S HA -0.060 4.411 4.470 0.001 0.000 0.233 349 S C 2.177 176.860 174.600 0.138 0.000 1.006 349 S CA 0.994 59.243 58.200 0.081 0.000 0.957 349 S CB -0.532 62.689 63.200 0.035 0.000 0.773 349 S HN 0.510 nan 8.310 nan 0.000 0.507 350 S N 0.321 116.104 115.700 0.137 0.000 2.398 350 S HA 0.234 4.705 4.470 0.001 0.000 0.220 350 S C 0.743 175.413 174.600 0.117 0.000 1.046 350 S CA 0.563 58.834 58.200 0.119 0.000 0.953 350 S CB -0.345 62.898 63.200 0.072 0.000 0.856 350 S HN 1.035 nan 8.310 nan 0.000 0.506 351 C N -0.639 118.753 119.300 0.154 0.000 3.284 351 C HA 0.825 5.286 4.460 0.001 0.000 0.338 351 C C -1.329 173.925 174.990 0.439 0.000 1.237 351 C CA -1.600 57.462 59.018 0.073 0.000 1.276 351 C CB 0.268 27.759 27.740 -0.415 0.000 1.601 351 C HN 0.475 nan 8.230 nan 0.000 0.494 352 F N 1.362 121.538 119.950 0.376 0.000 2.628 352 F HA 0.757 5.285 4.527 0.001 0.000 0.309 352 F C -1.399 174.800 175.800 0.665 0.000 1.108 352 F CA -0.574 57.754 58.000 0.546 0.000 0.971 352 F CB 1.594 40.921 39.000 0.546 0.000 1.279 352 F HN 0.916 nan 8.300 nan 0.000 0.441 353 V N 5.573 125.320 119.914 -0.278 0.000 2.925 353 V HA 0.396 4.516 4.120 0.001 0.000 0.311 353 V C -0.971 174.518 176.094 -1.008 0.000 1.104 353 V CA -0.633 61.482 62.300 -0.307 0.000 0.954 353 V CB 2.048 33.892 31.823 0.035 0.000 1.022 353 V HN 0.871 nan 8.190 nan 0.000 0.427 354 E N 6.901 126.846 120.200 -0.425 0.000 2.604 354 E HA -0.017 4.334 4.350 0.001 0.000 0.267 354 E C -2.013 174.591 176.600 0.006 0.000 0.970 354 E CA -0.721 55.619 56.400 -0.100 0.000 0.956 354 E CB 0.243 30.217 29.700 0.458 0.000 0.939 354 E HN 0.548 nan 8.360 nan 0.000 0.465 355 P HA -0.056 nan 4.420 nan 0.000 0.269 355 P C 0.826 178.325 177.300 0.331 0.000 1.461 355 P CA 0.013 63.203 63.100 0.150 0.000 0.809 355 P CB -0.014 31.700 31.700 0.025 0.000 1.503 356 L N 0.455 121.837 121.223 0.267 0.000 2.131 356 L HA -0.052 4.289 4.340 0.001 0.000 0.210 356 L C 1.440 178.236 176.870 -0.125 0.000 1.092 356 L CA 1.957 56.652 54.840 -0.242 0.000 0.759 356 L CB -0.500 41.260 42.059 -0.497 0.000 0.903 356 L HN -0.111 nan 8.230 nan 0.000 0.435 357 E N -0.671 119.549 120.200 0.034 0.000 2.685 357 E HA 0.223 4.574 4.350 0.001 0.000 0.208 357 E C 0.088 176.841 176.600 0.254 0.000 0.996 357 E CA 0.242 56.782 56.400 0.233 0.000 1.054 357 E CB 0.277 30.233 29.700 0.425 0.000 1.075 357 E HN 0.295 nan 8.360 nan 0.000 0.460 358 S N 0.356 116.141 115.700 0.142 0.000 3.628 358 S HA -0.159 4.312 4.470 0.001 0.000 0.373 358 S C 1.100 175.752 174.600 0.086 0.000 0.968 358 S CA 1.184 59.454 58.200 0.116 0.000 1.215 358 S CB -1.773 61.537 63.200 0.184 0.000 0.912 358 S HN 0.532 nan 8.310 nan 0.000 0.495 359 T N -3.353 111.172 114.554 -0.048 0.000 3.001 359 T HA 0.348 4.698 4.350 0.001 0.000 0.251 359 T C 1.924 176.334 174.700 -0.483 0.000 1.040 359 T CA 0.600 62.549 62.100 -0.252 0.000 0.985 359 T CB 0.245 68.811 68.868 -0.504 0.000 1.011 359 T HN 0.530 nan 8.240 nan 0.000 0.509 360 G N 2.256 110.885 108.800 -0.284 0.000 2.421 360 G HA2 -0.063 3.898 3.960 0.001 0.000 0.216 360 G HA3 -0.063 3.898 3.960 0.001 0.000 0.216 360 G C 1.382 176.238 174.900 -0.073 0.000 1.171 360 G CA 0.753 45.753 45.100 -0.166 0.000 0.775 360 G HN 0.532 nan 8.290 nan 0.000 0.543 361 I N -0.719 119.829 120.570 -0.037 0.000 2.252 361 I HA -0.101 4.069 4.170 0.001 0.000 0.245 361 I C 2.439 178.407 176.117 -0.249 0.000 1.102 361 I CA 0.956 62.239 61.300 -0.028 0.000 1.385 361 I CB -0.270 37.799 38.000 0.115 0.000 1.064 361 I HN 0.247 nan 8.210 nan 0.000 0.414 362 Y N 1.561 121.628 120.300 -0.388 0.000 2.114 362 Y HA -0.335 4.215 4.550 0.001 0.000 0.282 362 Y C 2.220 177.785 175.900 -0.558 0.000 1.165 362 Y CA 1.606 59.238 58.100 -0.781 0.000 1.148 362 Y CB -0.521 37.745 38.460 -0.322 0.000 0.972 362 Y HN 0.018 nan 8.280 nan 0.000 0.504 363 F N -0.522 119.114 119.950 -0.523 0.000 2.202 363 F HA -0.207 4.320 4.527 0.001 0.000 0.301 363 F C 2.448 177.996 175.800 -0.421 0.000 1.082 363 F CA 1.033 58.758 58.000 -0.459 0.000 1.313 363 F CB -1.362 37.573 39.000 -0.108 0.000 1.024 363 F HN 0.006 nan 8.300 nan 0.000 0.495 364 V N -0.042 119.754 119.914 -0.198 0.000 2.229 364 V HA -0.311 3.809 4.120 0.001 0.000 0.243 364 V C 2.267 178.182 176.094 -0.298 0.000 1.042 364 V CA 2.260 64.441 62.300 -0.198 0.000 1.000 364 V CB -1.312 30.417 31.823 -0.157 0.000 0.637 364 V HN 0.430 nan 8.190 nan 0.000 0.446 365 Y N 0.937 121.034 120.300 -0.337 0.000 2.439 365 Y HA 0.295 4.846 4.550 0.001 0.000 0.292 365 Y C 2.310 177.939 175.900 -0.452 0.000 1.130 365 Y CA 0.632 58.471 58.100 -0.434 0.000 1.254 365 Y CB -1.279 36.950 38.460 -0.386 0.000 1.000 365 Y HN 0.071 nan 8.280 nan 0.000 0.554 366 A N 1.682 124.168 122.820 -0.557 0.000 1.883 366 A HA -0.086 4.234 4.320 0.001 0.000 0.217 366 A C 2.520 180.028 177.584 -0.128 0.000 1.186 366 A CA 2.252 54.138 52.037 -0.250 0.000 0.624 366 A CB -1.379 17.290 19.000 -0.552 0.000 0.822 366 A HN 0.626 nan 8.150 nan 0.000 0.444 367 A N -0.584 122.137 122.820 -0.166 0.000 1.930 367 A HA 0.054 4.374 4.320 0.001 0.000 0.217 367 A C 2.160 179.785 177.584 0.068 0.000 1.175 367 A CA 1.360 53.385 52.037 -0.020 0.000 0.627 367 A CB -0.530 18.473 19.000 0.004 0.000 0.815 367 A HN 0.463 nan 8.150 nan 0.000 0.443 368 L N -2.132 118.999 121.223 -0.153 0.000 2.056 368 L HA -0.176 4.164 4.340 0.001 0.000 0.207 368 L C 2.559 179.193 176.870 -0.393 0.000 1.078 368 L CA 1.735 56.385 54.840 -0.317 0.000 0.749 368 L CB -0.669 41.039 42.059 -0.584 0.000 0.901 368 L HN 0.603 nan 8.230 nan 0.000 0.433 369 Y N 0.645 120.594 120.300 -0.585 0.000 2.165 369 Y HA -0.303 4.248 4.550 0.001 0.000 0.286 369 Y C 2.732 178.605 175.900 -0.046 0.000 1.155 369 Y CA 1.596 59.501 58.100 -0.326 0.000 1.164 369 Y CB -0.026 38.215 38.460 -0.366 0.000 0.978 369 Y HN 0.164 nan 8.280 nan 0.000 0.513 370 Q N -0.131 119.746 119.800 0.128 0.000 2.167 370 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 370 Q C 2.314 178.632 176.000 0.530 0.000 0.970 370 Q CA 1.309 57.276 55.803 0.272 0.000 0.855 370 Q CB -0.658 28.173 28.738 0.155 0.000 0.911 370 Q HN 0.552 nan 8.270 nan 0.000 0.438 371 L N 0.137 121.591 121.223 0.385 0.000 1.994 371 L HA -0.125 4.216 4.340 0.001 0.000 0.208 371 L C 2.184 179.189 176.870 0.224 0.000 1.071 371 L CA 1.434 56.353 54.840 0.130 0.000 0.745 371 L CB -0.743 41.246 42.059 -0.115 0.000 0.892 371 L HN -0.065 nan 8.230 nan 0.000 0.431 372 V N -0.031 119.969 119.914 0.143 0.000 2.332 372 V HA -0.329 3.791 4.120 0.001 0.000 0.248 372 V C 2.670 178.791 176.094 0.045 0.000 1.055 372 V CA 2.146 64.497 62.300 0.084 0.000 1.038 372 V CB -0.785 31.035 31.823 -0.005 0.000 0.651 372 V HN 0.533 nan 8.190 nan 0.000 0.450 373 K N -0.255 120.095 120.400 -0.082 0.000 2.063 373 K HA -0.192 4.128 4.320 0.001 0.000 0.208 373 K C 1.487 177.998 176.600 -0.148 0.000 1.048 373 K CA 1.772 57.938 56.287 -0.202 0.000 0.928 373 K CB -0.123 32.165 32.500 -0.354 0.000 0.713 373 K HN 0.639 nan 8.250 nan 0.000 0.442 374 H N -1.337 117.836 119.070 0.171 0.000 2.524 374 H HA 0.153 4.710 4.556 0.001 0.000 0.299 374 H C -0.959 174.526 175.328 0.261 0.000 1.074 374 H CA -0.616 55.573 56.048 0.236 0.000 1.115 374 H CB -0.206 29.774 29.762 0.363 0.000 1.522 374 H HN 0.015 nan 8.280 nan 0.000 0.543 375 F N 4.207 124.236 119.950 0.132 0.000 2.602 375 F HA 0.104 4.631 4.527 0.001 0.000 0.385 375 F C -1.763 174.115 175.800 0.130 0.000 1.063 375 F CA -2.271 55.775 58.000 0.076 0.000 1.233 375 F CB 0.586 39.587 39.000 0.001 0.000 1.067 375 F HN 0.149 nan 8.300 nan 0.000 0.564 376 P HA 0.231 nan 4.420 nan 0.000 0.280 376 P C -1.352 175.895 177.300 -0.089 0.000 1.272 376 P CA -0.491 62.553 63.100 -0.093 0.000 0.819 376 P CB 1.282 32.975 31.700 -0.012 0.000 1.122 377 D N -0.741 119.661 120.400 0.003 0.000 2.567 377 D HA 0.187 4.827 4.640 0.001 0.000 0.275 377 D C 0.814 177.115 176.300 0.002 0.000 1.195 377 D CA -0.532 53.481 54.000 0.021 0.000 1.087 377 D CB 0.397 41.226 40.800 0.047 0.000 1.165 377 D HN 0.160 nan 8.370 nan 0.000 0.609 378 K N -0.781 119.628 120.400 0.015 0.000 2.365 378 K HA -0.044 4.277 4.320 0.001 0.000 0.199 378 K C 1.761 178.373 176.600 0.020 0.000 1.045 378 K CA 0.921 57.218 56.287 0.017 0.000 0.962 378 K CB -0.135 32.378 32.500 0.022 0.000 0.759 378 K HN 0.487 nan 8.250 nan 0.000 0.469 379 S N 0.852 116.562 115.700 0.017 0.000 2.515 379 S HA -0.050 4.421 4.470 0.001 0.000 0.231 379 S C 0.792 175.397 174.600 0.008 0.000 0.987 379 S CA 0.090 58.297 58.200 0.012 0.000 0.936 379 S CB -0.667 62.539 63.200 0.010 0.000 0.766 379 S HN 0.343 nan 8.310 nan 0.000 0.528 380 L N 1.603 122.836 121.223 0.016 0.000 3.823 380 L HA -0.164 4.176 4.340 0.001 0.000 0.525 380 L C 0.175 177.022 176.870 -0.038 0.000 1.247 380 L CA 0.044 54.894 54.840 0.017 0.000 0.776 380 L CB -2.081 40.002 42.059 0.040 0.000 1.443 380 L HN 0.446 nan 8.230 nan 0.000 0.831 381 N N 2.909 121.591 118.700 -0.031 0.000 2.365 381 N HA 0.018 4.759 4.740 0.001 0.000 0.265 381 N C -0.889 174.552 175.510 -0.115 0.000 1.288 381 N CA -1.024 51.997 53.050 -0.049 0.000 0.869 381 N CB 1.029 39.506 38.487 -0.017 0.000 1.071 381 N HN 0.169 nan 8.380 nan 0.000 0.480 382 P HA -0.093 nan 4.420 nan 0.000 0.225 382 P C 1.322 178.517 177.300 -0.175 0.000 1.148 382 P CA 0.560 63.555 63.100 -0.175 0.000 0.779 382 P CB 0.381 32.010 31.700 -0.118 0.000 0.780 383 V N -0.050 119.801 119.914 -0.105 0.000 2.453 383 V HA -0.185 3.935 4.120 0.001 0.000 0.247 383 V C 2.655 178.719 176.094 -0.049 0.000 1.048 383 V CA 1.340 63.605 62.300 -0.059 0.000 1.049 383 V CB -1.114 30.701 31.823 -0.014 0.000 0.672 383 V HN 0.026 nan 8.190 nan 0.000 0.457 384 L N -0.188 120.999 121.223 -0.061 0.000 1.994 384 L HA -0.176 4.164 4.340 0.001 0.000 0.208 384 L C 2.667 179.396 176.870 -0.236 0.000 1.071 384 L CA 2.085 56.930 54.840 0.008 0.000 0.745 384 L CB -1.297 40.800 42.059 0.063 0.000 0.892 384 L HN 0.317 nan 8.230 nan 0.000 0.431 385 T N 0.084 114.220 114.554 -0.696 0.000 2.684 385 T HA -0.196 4.154 4.350 0.001 0.000 0.267 385 T C 2.037 176.482 174.700 -0.426 0.000 1.036 385 T CA 1.433 62.847 62.100 -1.143 0.000 1.148 385 T CB -0.323 67.748 68.868 -1.329 0.000 0.863 385 T HN 0.451 nan 8.240 nan 0.000 0.436 386 A N 1.894 124.553 122.820 -0.270 0.000 1.902 386 A HA -0.117 4.204 4.320 0.001 0.000 0.217 386 A C 2.432 179.969 177.584 -0.078 0.000 1.181 386 A CA 1.125 53.082 52.037 -0.133 0.000 0.623 386 A CB -0.349 18.593 19.000 -0.096 0.000 0.818 386 A HN 0.196 nan 8.150 nan 0.000 0.443 387 R N -1.467 118.999 120.500 -0.056 0.000 2.075 387 R HA -0.076 4.265 4.340 0.001 0.000 0.232 387 R C 1.952 178.114 176.300 -0.230 0.000 1.126 387 R CA 1.402 57.484 56.100 -0.029 0.000 0.963 387 R CB -1.269 29.127 30.300 0.161 0.000 0.858 387 R HN 0.650 nan 8.270 nan 0.000 0.435 388 F N 2.781 122.391 119.950 -0.566 0.000 2.095 388 F HA -0.228 4.300 4.527 0.001 0.000 0.298 388 F C 1.826 177.531 175.800 -0.157 0.000 1.104 388 F CA 1.557 59.250 58.000 -0.511 0.000 1.232 388 F CB -0.292 38.655 39.000 -0.089 0.000 0.987 388 F HN -0.020 nan 8.300 nan 0.000 0.475 389 N N 0.605 119.305 118.700 0.000 0.000 2.149 389 N HA -0.221 4.519 4.740 0.001 0.000 0.188 389 N C 1.968 177.404 175.510 -0.124 0.000 1.019 389 N CA 1.493 54.512 53.050 -0.051 0.000 0.857 389 N CB -0.552 37.950 38.487 0.025 0.000 0.997 389 N HN 0.318 nan 8.380 nan 0.000 0.426 390 R N 1.405 121.848 120.500 -0.094 0.000 2.081 390 R HA -0.046 4.295 4.340 0.001 0.000 0.235 390 R C 1.699 177.970 176.300 -0.047 0.000 1.131 390 R CA 1.182 57.252 56.100 -0.051 0.000 0.960 390 R CB 0.001 30.293 30.300 -0.013 0.000 0.856 390 R HN 0.145 nan 8.270 nan 0.000 0.436 391 E N 0.441 120.590 120.200 -0.084 0.000 2.072 391 E HA -0.162 4.188 4.350 0.001 0.000 0.191 391 E C 1.972 178.556 176.600 -0.026 0.000 0.985 391 E CA 0.958 57.378 56.400 0.033 0.000 0.801 391 E CB -0.143 29.569 29.700 0.020 0.000 0.750 391 E HN 0.354 nan 8.360 nan 0.000 0.452 392 I N 1.524 121.932 120.570 -0.270 0.000 2.202 392 I HA -0.184 3.987 4.170 0.001 0.000 0.242 392 I C 2.225 178.265 176.117 -0.129 0.000 1.091 392 I CA 1.008 62.146 61.300 -0.269 0.000 1.368 392 I CB -1.258 36.489 38.000 -0.423 0.000 1.058 392 I HN 0.129 nan 8.210 nan 0.000 0.410 393 E N 0.442 120.589 120.200 -0.089 0.000 2.070 393 E HA -0.223 4.128 4.350 0.001 0.000 0.197 393 E C 2.123 178.742 176.600 0.033 0.000 1.004 393 E CA 2.216 58.607 56.400 -0.016 0.000 0.805 393 E CB -0.125 29.566 29.700 -0.014 0.000 0.744 393 E HN 0.459 nan 8.360 nan 0.000 0.451 394 T N 1.155 115.716 114.554 0.011 0.000 2.812 394 T HA -0.134 4.216 4.350 0.001 0.000 0.264 394 T C 1.814 176.519 174.700 0.009 0.000 1.042 394 T CA 1.151 63.263 62.100 0.021 0.000 1.140 394 T CB -0.156 68.724 68.868 0.020 0.000 0.870 394 T HN 0.212 nan 8.240 nan 0.000 0.445 395 M N 0.223 119.797 119.600 -0.044 0.000 2.082 395 M HA -0.135 4.346 4.480 0.001 0.000 0.258 395 M C 2.055 178.347 176.300 -0.013 0.000 1.069 395 M CA 1.901 57.145 55.300 -0.092 0.000 1.102 395 M CB -0.319 32.204 32.600 -0.128 0.000 1.336 395 M HN 0.286 nan 8.290 nan 0.000 0.404 396 F N 1.344 121.159 119.950 -0.225 0.000 2.098 396 F HA -0.195 4.333 4.527 0.001 0.000 0.294 396 F C 1.732 177.555 175.800 0.038 0.000 1.107 396 F CA 2.071 59.957 58.000 -0.190 0.000 1.234 396 F CB -0.484 38.356 39.000 -0.268 0.000 1.002 396 F HN 0.223 nan 8.300 nan 0.000 0.472 397 D N 0.416 120.868 120.400 0.087 0.000 2.149 397 D HA -0.181 4.460 4.640 0.001 0.000 0.198 397 D C 1.839 178.115 176.300 -0.039 0.000 0.990 397 D CA 1.552 55.556 54.000 0.007 0.000 0.839 397 D CB -0.604 40.235 40.800 0.066 0.000 0.948 397 D HN 0.333 nan 8.370 nan 0.000 0.460 398 D N -0.197 120.241 120.400 0.064 0.000 2.144 398 D HA -0.087 4.553 4.640 0.001 0.000 0.199 398 D C 1.966 178.353 176.300 0.146 0.000 0.984 398 D CA 1.076 55.170 54.000 0.157 0.000 0.834 398 D CB -0.409 40.582 40.800 0.318 0.000 0.955 398 D HN 0.178 nan 8.370 nan 0.000 0.465 399 T N 0.620 115.340 114.554 0.276 0.000 2.737 399 T HA -0.145 4.205 4.350 0.001 0.000 0.265 399 T C 1.902 176.550 174.700 -0.087 0.000 1.038 399 T CA 0.900 63.154 62.100 0.257 0.000 1.144 399 T CB -0.001 69.227 68.868 0.599 0.000 0.866 399 T HN 0.155 nan 8.240 nan 0.000 0.434 400 R N 1.141 121.450 120.500 -0.318 0.000 2.096 400 R HA -0.190 4.151 4.340 0.001 0.000 0.240 400 R C 1.738 177.955 176.300 -0.137 0.000 1.139 400 R CA 2.157 58.078 56.100 -0.299 0.000 0.952 400 R CB -0.431 29.643 30.300 -0.377 0.000 0.854 400 R HN 0.283 nan 8.270 nan 0.000 0.436 401 D N -0.153 120.170 120.400 -0.128 0.000 2.097 401 D HA -0.166 4.474 4.640 0.001 0.000 0.195 401 D C 1.594 177.886 176.300 -0.012 0.000 0.989 401 D CA 1.052 55.002 54.000 -0.083 0.000 0.827 401 D CB -0.445 40.323 40.800 -0.053 0.000 0.966 401 D HN 0.189 nan 8.370 nan 0.000 0.456 402 F N 1.303 121.092 119.950 -0.269 0.000 2.102 402 F HA -0.096 4.432 4.527 0.002 0.000 0.298 402 F C 2.179 177.879 175.800 -0.167 0.000 1.105 402 F CA 0.920 58.694 58.000 -0.376 0.000 1.239 402 F CB -0.448 37.938 39.000 -1.023 0.000 0.991 402 F HN -0.113 nan 8.300 nan 0.000 0.474 403 I N -0.004 120.415 120.570 -0.252 0.000 2.179 403 I HA -0.353 3.817 4.170 0.001 0.000 0.242 403 I C 2.581 178.709 176.117 0.019 0.000 1.088 403 I CA 1.750 62.865 61.300 -0.307 0.000 1.357 403 I CB -0.675 37.219 38.000 -0.176 0.000 1.051 403 I HN 0.257 nan 8.210 nan 0.000 0.409 404 Q N 1.141 121.004 119.800 0.105 0.000 2.112 404 Q HA -0.277 4.064 4.340 0.001 0.000 0.206 404 Q C 2.256 178.383 176.000 0.212 0.000 0.987 404 Q CA 2.198 58.133 55.803 0.221 0.000 0.858 404 Q CB -0.171 28.645 28.738 0.129 0.000 0.905 404 Q HN 0.560 nan 8.270 nan 0.000 0.420 405 A N -0.065 122.810 122.820 0.091 0.000 2.024 405 A HA -0.223 4.098 4.320 0.001 0.000 0.220 405 A C 1.446 179.069 177.584 0.065 0.000 1.164 405 A CA 1.700 53.813 52.037 0.126 0.000 0.643 405 A CB -0.807 18.234 19.000 0.068 0.000 0.806 405 A HN 0.566 nan 8.150 nan 0.000 0.451 406 H N -1.476 117.409 119.070 -0.308 0.000 2.387 406 H HA -0.058 4.499 4.556 0.001 0.000 0.299 406 H C 1.505 176.755 175.328 -0.130 0.000 1.090 406 H CA 1.985 57.739 56.048 -0.490 0.000 1.332 406 H CB -0.359 28.843 29.762 -0.933 0.000 1.386 406 H HN 0.617 nan 8.280 nan 0.000 0.516 407 F N -1.847 118.359 119.950 0.427 0.000 2.262 407 F HA -0.010 4.518 4.527 0.001 0.000 0.292 407 F C 2.267 178.211 175.800 0.241 0.000 1.081 407 F CA 0.405 58.668 58.000 0.439 0.000 1.355 407 F CB -0.835 38.285 39.000 0.200 0.000 1.069 407 F HN 0.052 nan 8.300 nan 0.000 0.506 408 Y N -0.397 119.975 120.300 0.120 0.000 2.224 408 Y HA -0.225 4.326 4.550 0.001 0.000 0.289 408 Y C 1.516 177.205 175.900 -0.353 0.000 1.146 408 Y CA 1.658 59.634 58.100 -0.208 0.000 1.182 408 Y CB -0.443 37.754 38.460 -0.437 0.000 0.983 408 Y HN -0.016 nan 8.280 nan 0.000 0.524 409 F N -0.783 119.264 119.950 0.162 0.000 2.727 409 F HA 0.212 4.740 4.527 0.002 0.000 0.302 409 F C 1.278 177.068 175.800 -0.017 0.000 1.097 409 F CA 0.102 58.109 58.000 0.013 0.000 1.330 409 F CB -0.462 38.506 39.000 -0.054 0.000 1.084 409 F HN -0.206 nan 8.300 nan 0.000 0.578 410 S N 3.135 118.956 115.700 0.203 0.000 2.552 410 S HA 0.033 4.503 4.470 0.001 0.000 0.289 410 S C -1.053 173.574 174.600 0.045 0.000 1.304 410 S CA -1.050 57.241 58.200 0.152 0.000 1.063 410 S CB 0.700 64.046 63.200 0.243 0.000 0.848 410 S HN 0.032 nan 8.310 nan 0.000 0.499 411 P HA 0.024 nan 4.420 nan 0.000 0.245 411 P C -0.109 177.147 177.300 -0.073 0.000 1.212 411 P CA 0.213 63.292 63.100 -0.036 0.000 0.774 411 P CB 0.074 31.754 31.700 -0.034 0.000 0.999 412 R N 0.521 120.930 120.500 -0.151 0.000 2.537 412 R HA 0.225 4.566 4.340 0.001 0.000 0.280 412 R C 1.037 177.322 176.300 -0.025 0.000 1.058 412 R CA 0.914 56.883 56.100 -0.217 0.000 1.057 412 R CB 0.006 29.881 30.300 -0.709 0.000 0.973 412 R HN 0.111 nan 8.270 nan 0.000 0.438 413 T N -3.272 111.281 114.554 -0.002 0.000 3.332 413 T HA 0.002 4.352 4.350 0.001 0.000 0.304 413 T C 0.540 175.284 174.700 0.073 0.000 0.971 413 T CA -0.432 61.699 62.100 0.051 0.000 0.954 413 T CB 0.121 68.996 68.868 0.012 0.000 1.175 413 T HN 0.649 nan 8.240 nan 0.000 0.519 414 D N 1.781 122.232 120.400 0.084 0.000 2.305 414 D HA 0.000 4.641 4.640 0.001 0.000 0.206 414 D C 0.942 177.328 176.300 0.144 0.000 0.974 414 D CA 0.589 54.639 54.000 0.084 0.000 0.871 414 D CB -0.017 40.805 40.800 0.037 0.000 0.947 414 D HN 0.576 nan 8.370 nan 0.000 0.516 415 T N -3.574 111.126 114.554 0.244 0.000 2.916 415 T HA 0.424 4.775 4.350 0.001 0.000 0.292 415 T C -2.329 172.458 174.700 0.144 0.000 1.055 415 T CA -1.793 60.439 62.100 0.220 0.000 1.009 415 T CB 2.530 71.575 68.868 0.295 0.000 1.118 415 T HN -0.412 nan 8.240 nan 0.000 0.497 416 P HA -0.075 nan 4.420 nan 0.000 0.216 416 P C 1.224 178.329 177.300 -0.325 0.000 1.154 416 P CA 0.824 63.961 63.100 0.061 0.000 0.865 416 P CB -0.138 31.737 31.700 0.291 0.000 0.789 417 F N -1.033 118.500 119.950 -0.694 0.000 2.069 417 F HA -0.193 4.335 4.527 0.001 0.000 0.298 417 F C 1.913 177.272 175.800 -0.735 0.000 1.113 417 F CA 1.535 58.826 58.000 -1.182 0.000 1.214 417 F CB -1.119 37.373 39.000 -0.847 0.000 0.978 417 F HN -0.120 nan 8.300 nan 0.000 0.474 418 W N 0.757 121.892 121.300 -0.276 0.000 2.363 418 W HA -0.083 4.577 4.660 0.001 0.000 0.296 418 W C 2.612 178.957 176.519 -0.290 0.000 1.212 418 W CA 1.304 58.486 57.345 -0.271 0.000 1.260 418 W CB -0.426 29.025 29.460 -0.015 0.000 1.131 418 W HN -0.109 nan 8.180 nan 0.000 0.530 419 R N -0.140 120.327 120.500 -0.054 0.000 2.090 419 R HA -0.027 4.314 4.340 0.001 0.000 0.228 419 R C 2.335 178.542 176.300 -0.155 0.000 1.110 419 R CA 1.289 57.346 56.100 -0.072 0.000 0.973 419 R CB -0.829 29.459 30.300 -0.020 0.000 0.869 419 R HN 0.149 nan 8.270 nan 0.000 0.440 420 A N 1.437 124.092 122.820 -0.276 0.000 1.969 420 A HA -0.153 4.168 4.320 0.001 0.000 0.218 420 A C 1.676 179.125 177.584 -0.226 0.000 1.169 420 A CA 1.380 53.294 52.037 -0.204 0.000 0.635 420 A CB -0.544 18.326 19.000 -0.216 0.000 0.810 420 A HN 0.337 nan 8.150 nan 0.000 0.445 421 N N -0.165 118.297 118.700 -0.397 0.000 2.205 421 N HA -0.158 4.583 4.740 0.001 0.000 0.186 421 N C 1.477 176.907 175.510 -0.134 0.000 1.015 421 N CA 1.530 54.413 53.050 -0.278 0.000 0.862 421 N CB -0.150 38.123 38.487 -0.356 0.000 0.986 421 N HN 0.528 nan 8.380 nan 0.000 0.429 422 K N 0.208 120.483 120.400 -0.209 0.000 2.366 422 K HA 0.012 4.332 4.320 0.001 0.000 0.198 422 K C 0.829 177.328 176.600 -0.168 0.000 1.044 422 K CA 0.638 56.718 56.287 -0.344 0.000 0.973 422 K CB 0.301 32.601 32.500 -0.332 0.000 0.767 422 K HN 0.186 nan 8.250 nan 0.000 0.475 423 E N 0.646 120.803 120.200 -0.071 0.000 2.442 423 E HA 0.070 4.421 4.350 0.001 0.000 0.195 423 E C 0.565 177.186 176.600 0.035 0.000 1.030 423 E CA 0.221 56.614 56.400 -0.011 0.000 0.869 423 E CB 0.131 29.826 29.700 -0.008 0.000 0.857 423 E HN 0.272 nan 8.360 nan 0.000 0.505 424 L N 1.867 123.124 121.223 0.057 0.000 2.452 424 L HA 0.144 4.485 4.340 0.001 0.000 0.267 424 L C 0.867 177.807 176.870 0.118 0.000 1.188 424 L CA -0.243 54.631 54.840 0.058 0.000 0.821 424 L CB 0.441 42.524 42.059 0.039 0.000 1.102 424 L HN -0.228 nan 8.230 nan 0.000 0.470 425 R N 2.299 122.812 120.500 0.021 0.000 2.404 425 R HA 0.463 4.804 4.340 0.001 0.000 0.291 425 R C -0.529 175.765 176.300 -0.010 0.000 1.025 425 R CA -0.770 55.334 56.100 0.007 0.000 0.991 425 R CB 0.869 31.174 30.300 0.008 0.000 1.053 425 R HN 0.486 nan 8.270 nan 0.000 0.479 426 L N 1.885 123.004 121.223 -0.174 0.000 2.439 426 L HA 0.191 4.531 4.340 0.001 0.000 0.269 426 L C 1.052 177.936 176.870 0.024 0.000 1.179 426 L CA -0.319 54.434 54.840 -0.145 0.000 0.828 426 L CB 0.471 42.326 42.059 -0.340 0.000 1.106 426 L HN 0.624 nan 8.230 nan 0.000 0.467 427 A N 1.668 124.482 122.820 -0.011 0.000 2.466 427 A HA 0.027 4.348 4.320 0.001 0.000 0.238 427 A C 0.863 178.432 177.584 -0.026 0.000 1.074 427 A CA -0.367 51.658 52.037 -0.020 0.000 0.774 427 A CB 0.134 19.027 19.000 -0.177 0.000 1.015 427 A HN 0.868 nan 8.150 nan 0.000 0.498 428 D N 1.843 122.241 120.400 -0.003 0.000 2.133 428 D HA -0.160 4.481 4.640 0.001 0.000 0.192 428 D C 2.043 178.331 176.300 -0.020 0.000 1.001 428 D CA 2.221 56.217 54.000 -0.007 0.000 0.844 428 D CB -0.568 40.234 40.800 0.004 0.000 0.944 428 D HN 0.708 nan 8.370 nan 0.000 0.447 429 G N 0.062 108.848 108.800 -0.024 0.000 2.422 429 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 429 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 429 G C 1.558 176.434 174.900 -0.040 0.000 1.146 429 G CA 0.938 46.023 45.100 -0.025 0.000 0.769 429 G HN 0.151 nan 8.290 nan 0.000 0.547 430 M N 0.129 119.699 119.600 -0.050 0.000 2.123 430 M HA 0.064 4.545 4.480 0.001 0.000 0.263 430 M C 2.468 178.733 176.300 -0.058 0.000 1.069 430 M CA 1.620 56.886 55.300 -0.056 0.000 1.133 430 M CB -0.510 32.052 32.600 -0.064 0.000 1.356 430 M HN 0.242 nan 8.290 nan 0.000 0.415 431 Q N 0.509 120.278 119.800 -0.052 0.000 2.112 431 Q HA -0.254 4.086 4.340 0.001 0.000 0.206 431 Q C 1.960 177.944 176.000 -0.028 0.000 0.987 431 Q CA 2.536 58.320 55.803 -0.031 0.000 0.858 431 Q CB -0.483 28.241 28.738 -0.023 0.000 0.905 431 Q HN 0.729 nan 8.270 nan 0.000 0.420 432 E N -0.266 119.914 120.200 -0.034 0.000 2.085 432 E HA -0.244 4.107 4.350 0.001 0.000 0.194 432 E C 1.713 178.276 176.600 -0.062 0.000 0.994 432 E CA 1.407 57.785 56.400 -0.037 0.000 0.801 432 E CB -0.022 29.660 29.700 -0.030 0.000 0.743 432 E HN 0.348 nan 8.360 nan 0.000 0.453 433 K N 0.158 120.500 120.400 -0.097 0.000 2.063 433 K HA -0.152 4.169 4.320 0.001 0.000 0.208 433 K C 2.165 178.671 176.600 -0.158 0.000 1.048 433 K CA 1.355 57.538 56.287 -0.173 0.000 0.928 433 K CB -0.109 32.215 32.500 -0.293 0.000 0.713 433 K HN 0.242 nan 8.250 nan 0.000 0.442 434 I N 2.011 122.508 120.570 -0.121 0.000 2.226 434 I HA -0.240 3.931 4.170 0.001 0.000 0.245 434 I C 1.649 177.747 176.117 -0.031 0.000 1.100 434 I CA 1.535 62.776 61.300 -0.098 0.000 1.374 434 I CB -1.082 36.909 38.000 -0.015 0.000 1.057 434 I HN 0.160 nan 8.210 nan 0.000 0.413 435 D N 0.657 121.042 120.400 -0.024 0.000 2.104 435 D HA -0.190 4.451 4.640 0.001 0.000 0.194 435 D C 2.381 178.659 176.300 -0.037 0.000 0.994 435 D CA 1.294 55.282 54.000 -0.020 0.000 0.830 435 D CB -0.193 40.597 40.800 -0.016 0.000 0.959 435 D HN 0.286 nan 8.370 nan 0.000 0.452 436 M N -0.791 118.785 119.600 -0.041 0.000 2.086 436 M HA -0.191 4.290 4.480 0.001 0.000 0.261 436 M C 2.216 178.484 176.300 -0.054 0.000 1.067 436 M CA 1.260 56.534 55.300 -0.043 0.000 1.116 436 M CB -0.407 32.167 32.600 -0.043 0.000 1.348 436 M HN 0.063 nan 8.290 nan 0.000 0.407 437 Y N 1.127 121.301 120.300 -0.210 0.000 2.145 437 Y HA -0.229 4.321 4.550 0.001 0.000 0.286 437 Y C 2.330 178.048 175.900 -0.302 0.000 1.145 437 Y CA 1.769 59.695 58.100 -0.290 0.000 1.148 437 Y CB -0.149 38.071 38.460 -0.400 0.000 0.981 437 Y HN 0.051 nan 8.280 nan 0.000 0.507 438 R N -0.083 120.320 120.500 -0.161 0.000 2.152 438 R HA -0.080 4.261 4.340 0.001 0.000 0.232 438 R C 2.167 178.329 176.300 -0.230 0.000 1.117 438 R CA 0.899 56.862 56.100 -0.228 0.000 0.981 438 R CB -0.453 29.790 30.300 -0.094 0.000 0.870 438 R HN 0.401 nan 8.270 nan 0.000 0.451 439 A N 0.141 122.858 122.820 -0.171 0.000 2.235 439 A HA 0.208 4.529 4.320 0.001 0.000 0.208 439 A C 1.424 178.907 177.584 -0.168 0.000 1.172 439 A CA 0.763 52.719 52.037 -0.136 0.000 0.786 439 A CB -0.133 18.819 19.000 -0.080 0.000 0.804 439 A HN 0.449 nan 8.150 nan 0.000 0.479 440 G N -1.645 106.988 108.800 -0.278 0.000 2.157 440 G HA2 -0.246 3.715 3.960 0.001 0.000 0.248 440 G HA3 -0.246 3.715 3.960 0.001 0.000 0.248 440 G C 0.175 174.939 174.900 -0.226 0.000 0.979 440 G CA 0.324 45.235 45.100 -0.314 0.000 0.650 440 G HN 0.414 nan 8.290 nan 0.000 0.529 441 M N 0.980 120.515 119.600 -0.109 0.000 2.255 441 M HA 0.584 5.064 4.480 0.001 0.000 0.336 441 M C 1.059 177.469 176.300 0.183 0.000 1.135 441 M CA 0.113 55.451 55.300 0.064 0.000 1.145 441 M CB 1.102 33.721 32.600 0.031 0.000 1.473 441 M HN 0.457 nan 8.290 nan 0.000 0.462 442 A N 3.102 126.155 122.820 0.387 0.000 2.483 442 A HA 0.394 4.715 4.320 0.001 0.000 0.238 442 A C -0.271 177.414 177.584 0.169 0.000 1.070 442 A CA -0.088 52.159 52.037 0.349 0.000 0.770 442 A CB -0.201 18.937 19.000 0.231 0.000 1.008 442 A HN 0.808 nan 8.150 nan 0.000 0.497 443 I N 2.318 122.968 120.570 0.133 0.000 2.330 443 I HA 0.188 4.358 4.170 0.001 0.000 0.289 443 I C -0.235 175.910 176.117 0.046 0.000 1.001 443 I CA -0.409 60.861 61.300 -0.050 0.000 1.193 443 I CB 0.762 38.515 38.000 -0.411 0.000 1.345 443 I HN 0.750 nan 8.210 nan 0.000 0.461 444 N N 4.085 122.818 118.700 0.055 0.000 2.725 444 N HA -0.180 4.561 4.740 0.001 0.000 0.251 444 N C 0.016 175.603 175.510 0.128 0.000 1.031 444 N CA 0.837 53.954 53.050 0.111 0.000 0.720 444 N CB -0.984 37.612 38.487 0.182 0.000 0.930 444 N HN 0.781 nan 8.380 nan 0.000 0.543 445 A N 0.444 123.338 122.820 0.123 0.000 2.565 445 A HA 0.267 4.588 4.320 0.001 0.000 0.237 445 A C -1.307 176.351 177.584 0.124 0.000 1.053 445 A CA -0.410 51.706 52.037 0.132 0.000 0.755 445 A CB 0.045 19.159 19.000 0.191 0.000 0.980 445 A HN 0.221 nan 8.150 nan 0.000 0.506 446 P HA 0.162 nan 4.420 nan 0.000 0.269 446 P C 0.717 178.118 177.300 0.169 0.000 1.209 446 P CA 0.507 63.639 63.100 0.052 0.000 0.776 446 P CB 0.980 32.600 31.700 -0.134 0.000 0.876 447 A N 2.257 125.148 122.820 0.118 0.000 2.019 447 A HA -0.040 4.280 4.320 0.001 0.000 0.219 447 A C 1.282 178.913 177.584 0.078 0.000 1.164 447 A CA 1.529 53.616 52.037 0.082 0.000 0.644 447 A CB -0.478 18.561 19.000 0.065 0.000 0.805 447 A HN 0.622 nan 8.150 nan 0.000 0.449 448 S N -1.384 114.396 115.700 0.133 0.000 2.564 448 S HA 0.419 4.890 4.470 0.001 0.000 0.274 448 S C -0.455 174.241 174.600 0.158 0.000 1.124 448 S CA -0.016 58.267 58.200 0.138 0.000 0.869 448 S CB 1.494 64.739 63.200 0.075 0.000 1.105 448 S HN 0.367 nan 8.310 nan 0.000 0.472 449 D N 1.204 121.717 120.400 0.190 0.000 2.328 449 D HA 0.097 4.738 4.640 0.001 0.000 0.221 449 D C -0.053 176.232 176.300 -0.026 0.000 1.072 449 D CA -0.113 53.897 54.000 0.017 0.000 0.850 449 D CB -0.044 40.753 40.800 -0.005 0.000 0.922 449 D HN 0.352 nan 8.370 nan 0.000 0.516 450 D N 0.576 120.983 120.400 0.012 0.000 2.352 450 D HA 0.285 4.926 4.640 0.001 0.000 0.245 450 D C 1.042 177.354 176.300 0.020 0.000 1.224 450 D CA -0.192 53.821 54.000 0.020 0.000 0.879 450 D CB 1.364 42.189 40.800 0.042 0.000 1.057 450 D HN 0.106 nan 8.370 nan 0.000 0.491 451 A N 4.105 126.936 122.820 0.019 0.000 2.014 451 A HA -0.162 4.158 4.320 0.001 0.000 0.218 451 A C 1.964 179.641 177.584 0.155 0.000 1.163 451 A CA 1.021 53.085 52.037 0.045 0.000 0.652 451 A CB -0.245 18.832 19.000 0.129 0.000 0.808 451 A HN 0.687 nan 8.150 nan 0.000 0.449 452 Q N -0.444 119.439 119.800 0.138 0.000 2.084 452 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 452 Q C 2.003 178.082 176.000 0.132 0.000 0.978 452 Q CA 1.513 57.402 55.803 0.144 0.000 0.844 452 Q CB -0.260 28.538 28.738 0.100 0.000 0.898 452 Q HN 0.725 nan 8.270 nan 0.000 0.426 453 L N -0.871 120.416 121.223 0.107 0.000 2.046 453 L HA -0.211 4.130 4.340 0.001 0.000 0.208 453 L C 2.294 179.234 176.870 0.116 0.000 1.077 453 L CA 1.197 56.099 54.840 0.102 0.000 0.747 453 L CB -0.629 41.482 42.059 0.088 0.000 0.896 453 L HN 0.295 nan 8.230 nan 0.000 0.432 454 Y N 0.106 120.368 120.300 -0.062 0.000 2.089 454 Y HA -0.310 4.241 4.550 0.001 0.000 0.282 454 Y C 2.398 178.225 175.900 -0.121 0.000 1.139 454 Y CA 1.731 59.731 58.100 -0.167 0.000 1.123 454 Y CB -0.439 37.808 38.460 -0.355 0.000 0.980 454 Y HN 0.021 nan 8.280 nan 0.000 0.493 455 Y N -0.665 119.702 120.300 0.112 0.000 2.561 455 Y HA 0.136 4.686 4.550 0.001 0.000 0.291 455 Y C 2.326 178.260 175.900 0.056 0.000 1.141 455 Y CA 0.727 58.845 58.100 0.030 0.000 1.303 455 Y CB -0.629 37.869 38.460 0.063 0.000 1.015 455 Y HN 0.220 nan 8.280 nan 0.000 0.547 456 G N -0.940 107.976 108.800 0.193 0.000 3.088 456 G HA2 -0.044 3.917 3.960 0.001 0.000 0.217 456 G HA3 -0.044 3.917 3.960 0.001 0.000 0.217 456 G C 0.073 175.054 174.900 0.136 0.000 1.159 456 G CA -0.010 45.184 45.100 0.158 0.000 0.760 456 G HN 0.119 nan 8.290 nan 0.000 0.550 457 N N -0.313 118.454 118.700 0.111 0.000 2.609 457 N HA 0.182 4.923 4.740 0.001 0.000 0.268 457 N C -0.011 175.547 175.510 0.080 0.000 1.106 457 N CA -0.987 52.126 53.050 0.105 0.000 0.823 457 N CB 0.805 39.341 38.487 0.081 0.000 1.263 457 N HN -0.101 nan 8.380 nan 0.000 0.533 458 F N 2.605 122.528 119.950 -0.046 0.000 2.161 458 F HA -0.064 4.464 4.527 0.001 0.000 0.300 458 F C 1.891 177.622 175.800 -0.116 0.000 1.089 458 F CA 1.522 59.437 58.000 -0.141 0.000 1.282 458 F CB 0.430 39.211 39.000 -0.365 0.000 1.010 458 F HN 0.487 nan 8.300 nan 0.000 0.485 459 E N 0.303 120.494 120.200 -0.015 0.000 2.051 459 E HA -0.258 4.093 4.350 0.001 0.000 0.192 459 E C 2.161 178.763 176.600 0.003 0.000 0.991 459 E CA 1.482 57.903 56.400 0.034 0.000 0.799 459 E CB -0.512 29.279 29.700 0.151 0.000 0.748 459 E HN 0.464 nan 8.360 nan 0.000 0.449 460 E N 0.989 121.186 120.200 -0.005 0.000 2.070 460 E HA -0.211 4.140 4.350 0.001 0.000 0.197 460 E C 1.997 178.532 176.600 -0.108 0.000 1.004 460 E CA 1.770 58.166 56.400 -0.006 0.000 0.805 460 E CB -0.088 29.625 29.700 0.021 0.000 0.744 460 E HN 0.298 nan 8.360 nan 0.000 0.451 461 E N -1.292 118.709 120.200 -0.331 0.000 2.072 461 E HA -0.154 4.197 4.350 0.001 0.000 0.190 461 E C 1.897 178.321 176.600 -0.293 0.000 0.982 461 E CA 0.788 56.833 56.400 -0.593 0.000 0.803 461 E CB -0.275 28.964 29.700 -0.768 0.000 0.755 461 E HN 0.367 nan 8.360 nan 0.000 0.453 462 F N 1.692 121.327 119.950 -0.525 0.000 2.171 462 F HA -0.102 4.426 4.527 0.001 0.000 0.300 462 F C 2.103 177.825 175.800 -0.130 0.000 1.090 462 F CA 1.411 59.153 58.000 -0.430 0.000 1.293 462 F CB 0.105 38.714 39.000 -0.652 0.000 1.013 462 F HN -0.107 nan 8.300 nan 0.000 0.486 463 R N -0.308 120.225 120.500 0.055 0.000 2.237 463 R HA -0.099 4.241 4.340 0.001 0.000 0.219 463 R C 0.704 177.020 176.300 0.027 0.000 1.080 463 R CA 1.220 57.356 56.100 0.059 0.000 0.995 463 R CB -0.521 29.845 30.300 0.111 0.000 0.875 463 R HN 0.359 nan 8.270 nan 0.000 0.462 464 N N -0.228 118.489 118.700 0.030 0.000 2.628 464 N HA -0.009 4.731 4.740 0.001 0.000 0.299 464 N C -0.065 175.501 175.510 0.093 0.000 1.834 464 N CA -0.136 52.975 53.050 0.102 0.000 0.871 464 N CB 0.297 38.892 38.487 0.180 0.000 1.377 464 N HN -0.024 nan 8.380 nan 0.000 0.493 465 F N 0.851 120.669 119.950 -0.219 0.000 2.113 465 F HA 0.131 4.658 4.527 0.001 0.000 0.297 465 F C -0.035 175.465 175.800 -0.501 0.000 1.103 465 F CA 1.197 58.926 58.000 -0.451 0.000 1.248 465 F CB 0.138 38.709 39.000 -0.714 0.000 0.999 465 F HN 0.139 nan 8.300 nan 0.000 0.475 466 W N 2.518 123.680 121.300 -0.230 0.000 2.311 466 W HA 0.265 4.926 4.660 0.001 0.000 0.317 466 W C -0.221 176.203 176.519 -0.159 0.000 1.065 466 W CA -0.979 56.078 57.345 -0.480 0.000 1.364 466 W CB 0.111 29.165 29.460 -0.676 0.000 1.233 466 W HN 0.041 nan 8.180 nan 0.000 0.409 467 N N 0.408 119.126 118.700 0.030 0.000 2.525 467 N HA 0.255 4.996 4.740 0.001 0.000 0.288 467 N C 0.740 176.393 175.510 0.240 0.000 1.242 467 N CA -0.685 52.441 53.050 0.127 0.000 0.905 467 N CB 0.625 39.090 38.487 -0.036 0.000 1.258 467 N HN 0.305 nan 8.380 nan 0.000 0.551 468 N N -0.138 118.708 118.700 0.244 0.000 2.096 468 N HA -0.257 4.484 4.740 0.001 0.000 0.195 468 N C 0.834 176.534 175.510 0.316 0.000 1.017 468 N CA 2.160 55.398 53.050 0.313 0.000 0.870 468 N CB -0.203 38.421 38.487 0.228 0.000 1.024 468 N HN 0.557 nan 8.380 nan 0.000 0.434 469 S N -0.089 115.726 115.700 0.191 0.000 2.359 469 S HA -0.162 4.309 4.470 0.001 0.000 0.224 469 S C 1.572 176.359 174.600 0.311 0.000 1.035 469 S CA 1.692 60.059 58.200 0.280 0.000 1.018 469 S CB -0.764 62.556 63.200 0.202 0.000 0.876 469 S HN 0.573 nan 8.310 nan 0.000 0.448 470 N N 0.361 119.163 118.700 0.171 0.000 2.084 470 N HA -0.101 4.640 4.740 0.001 0.000 0.190 470 N C 1.587 176.992 175.510 -0.174 0.000 1.030 470 N CA 1.510 54.569 53.050 0.014 0.000 0.849 470 N CB -0.413 38.026 38.487 -0.080 0.000 1.012 470 N HN 0.363 nan 8.380 nan 0.000 0.423 471 Y N 0.075 120.350 120.300 -0.041 0.000 2.128 471 Y HA -0.238 4.312 4.550 0.001 0.000 0.284 471 Y C 2.044 177.766 175.900 -0.297 0.000 1.154 471 Y CA 1.326 59.357 58.100 -0.114 0.000 1.149 471 Y CB -0.780 37.581 38.460 -0.165 0.000 0.976 471 Y HN 0.128 nan 8.280 nan 0.000 0.505 472 Y N -1.468 118.770 120.300 -0.103 0.000 2.181 472 Y HA -0.291 4.260 4.550 0.002 0.000 0.288 472 Y C 2.716 178.283 175.900 -0.554 0.000 1.146 472 Y CA 1.343 59.186 58.100 -0.429 0.000 1.164 472 Y CB -0.803 37.249 38.460 -0.681 0.000 0.982 472 Y HN 0.159 nan 8.280 nan 0.000 0.515 473 C N -1.215 118.077 119.300 -0.013 0.000 2.398 473 C HA -0.185 4.276 4.460 0.001 0.000 0.276 473 C C 2.730 177.563 174.990 -0.261 0.000 1.222 473 C CA 1.218 60.279 59.018 0.073 0.000 1.746 473 C CB -1.156 26.623 27.740 0.065 0.000 2.039 473 C HN 0.361 nan 8.230 nan 0.000 0.470 474 V N 0.349 119.979 119.914 -0.473 0.000 2.331 474 V HA -0.106 4.015 4.120 0.001 0.000 0.242 474 V C 2.263 177.877 176.094 -0.799 0.000 1.034 474 V CA 1.598 63.444 62.300 -0.755 0.000 1.027 474 V CB -0.611 30.543 31.823 -1.116 0.000 0.667 474 V HN 0.502 nan 8.190 nan 0.000 0.457 475 L N 0.423 121.218 121.223 -0.713 0.000 1.994 475 L HA -0.122 4.219 4.340 0.001 0.000 0.208 475 L C 2.737 179.235 176.870 -0.619 0.000 1.071 475 L CA 1.781 56.163 54.840 -0.763 0.000 0.745 475 L CB -0.867 40.522 42.059 -1.116 0.000 0.892 475 L HN 0.344 nan 8.230 nan 0.000 0.431 476 A N 0.287 122.782 122.820 -0.542 0.000 1.969 476 A HA -0.073 4.248 4.320 0.001 0.000 0.218 476 A C 2.401 179.732 177.584 -0.422 0.000 1.169 476 A CA 1.493 53.327 52.037 -0.339 0.000 0.635 476 A CB -1.221 17.604 19.000 -0.292 0.000 0.810 476 A HN 0.450 nan 8.150 nan 0.000 0.445 477 G N 0.077 108.445 108.800 -0.720 0.000 2.446 477 G HA2 -0.210 3.751 3.960 0.001 0.000 0.217 477 G HA3 -0.210 3.751 3.960 0.001 0.000 0.217 477 G C 1.473 175.534 174.900 -1.399 0.000 1.168 477 G CA 1.138 45.401 45.100 -1.395 0.000 0.771 477 G HN 0.451 nan 8.290 nan 0.000 0.551 478 L N 0.066 120.642 121.223 -1.080 0.000 2.376 478 L HA 0.216 4.556 4.340 0.001 0.000 0.219 478 L C 2.225 178.925 176.870 -0.285 0.000 1.133 478 L CA 0.736 55.249 54.840 -0.544 0.000 0.816 478 L CB 0.048 41.886 42.059 -0.367 0.000 0.933 478 L HN 0.472 nan 8.230 nan 0.000 0.449 479 G N -0.049 108.583 108.800 -0.280 0.000 2.184 479 G HA2 -0.237 3.724 3.960 0.001 0.000 0.206 479 G HA3 -0.237 3.724 3.960 0.001 0.000 0.206 479 G C -0.094 174.747 174.900 -0.099 0.000 0.995 479 G CA -0.234 44.793 45.100 -0.121 0.000 0.651 479 G HN 0.109 nan 8.290 nan 0.000 0.511 480 L N 2.424 123.530 121.223 -0.195 0.000 2.369 480 L HA 0.651 4.992 4.340 0.001 0.000 0.279 480 L C 0.631 177.430 176.870 -0.118 0.000 1.108 480 L CA -0.351 54.361 54.840 -0.213 0.000 0.852 480 L CB 1.145 42.890 42.059 -0.523 0.000 1.169 480 L HN 0.707 nan 8.230 nan 0.000 0.452 481 V N 3.258 123.106 119.914 -0.109 0.000 3.046 481 V HA 0.777 4.898 4.120 0.001 0.000 0.316 481 V C -2.501 173.227 176.094 -0.610 0.000 1.104 481 V CA -2.397 59.696 62.300 -0.345 0.000 1.006 481 V CB 1.249 32.944 31.823 -0.213 0.000 1.058 481 V HN 0.637 nan 8.190 nan 0.000 0.440 482 P HA 0.187 nan 4.420 nan 0.000 0.270 482 P C -0.068 177.000 177.300 -0.387 0.000 1.227 482 P CA 0.064 62.641 63.100 -0.873 0.000 0.788 482 P CB 0.424 31.520 31.700 -1.006 0.000 0.926 483 D N -0.350 119.931 120.400 -0.199 0.000 2.178 483 D HA 0.040 4.681 4.640 0.001 0.000 0.202 483 D C 0.673 176.980 176.300 0.012 0.000 0.974 483 D CA 1.416 55.398 54.000 -0.031 0.000 0.841 483 D CB 0.023 40.800 40.800 -0.039 0.000 0.953 483 D HN 0.424 nan 8.370 nan 0.000 0.478 484 A N -0.316 122.435 122.820 -0.115 0.000 2.612 484 A HA 0.557 4.877 4.320 0.001 0.000 0.293 484 A C -2.790 174.670 177.584 -0.206 0.000 1.075 484 A CA -1.239 50.571 52.037 -0.379 0.000 0.680 484 A CB 1.071 19.884 19.000 -0.312 0.000 1.279 484 A HN -0.227 nan 8.150 nan 0.000 0.411 485 P HA 0.169 nan 4.420 nan 0.000 0.269 485 P C 0.179 177.403 177.300 -0.127 0.000 1.215 485 P CA 0.067 63.072 63.100 -0.158 0.000 0.780 485 P CB 0.560 32.083 31.700 -0.294 0.000 0.898 486 S N 2.847 118.498 115.700 -0.081 0.000 2.673 486 S HA -0.002 4.469 4.470 0.001 0.000 0.308 486 S C -1.335 173.242 174.600 -0.039 0.000 1.246 486 S CA -0.687 57.484 58.200 -0.049 0.000 1.077 486 S CB -0.600 62.617 63.200 0.028 0.000 0.814 486 S HN 0.251 nan 8.310 nan 0.000 0.503 487 P HA -0.043 nan 4.420 nan 0.000 0.222 487 P C 1.431 178.788 177.300 0.096 0.000 1.147 487 P CA 0.702 63.811 63.100 0.014 0.000 0.790 487 P CB 0.108 31.822 31.700 0.024 0.000 0.780 488 R N -0.304 120.243 120.500 0.079 0.000 2.091 488 R HA -0.096 4.244 4.340 0.001 0.000 0.238 488 R C 2.132 178.495 176.300 0.106 0.000 1.136 488 R CA 1.221 57.386 56.100 0.108 0.000 0.959 488 R CB -0.877 29.449 30.300 0.044 0.000 0.856 488 R HN 0.219 nan 8.270 nan 0.000 0.437 489 L N -0.281 120.955 121.223 0.022 0.000 2.131 489 L HA -0.134 4.207 4.340 0.001 0.000 0.210 489 L C 2.495 179.361 176.870 -0.008 0.000 1.092 489 L CA 1.043 55.878 54.840 -0.007 0.000 0.759 489 L CB -0.505 41.510 42.059 -0.073 0.000 0.903 489 L HN 0.276 nan 8.230 nan 0.000 0.435 490 A N -1.151 121.628 122.820 -0.068 0.000 2.125 490 A HA -0.191 4.130 4.320 0.001 0.000 0.219 490 A C 1.767 179.181 177.584 -0.283 0.000 1.156 490 A CA 1.167 53.096 52.037 -0.181 0.000 0.671 490 A CB -0.632 18.213 19.000 -0.257 0.000 0.794 490 A HN 0.475 nan 8.150 nan 0.000 0.459 491 H N -1.938 117.134 119.070 0.003 0.000 2.529 491 H HA 0.311 4.868 4.556 0.001 0.000 0.277 491 H C 0.053 175.390 175.328 0.016 0.000 1.004 491 H CA 0.278 56.329 56.048 0.006 0.000 1.167 491 H CB 0.153 29.914 29.762 -0.001 0.000 1.445 491 H HN 0.446 nan 8.280 nan 0.000 0.554 492 M N 1.651 121.305 119.600 0.090 0.000 3.101 492 M HA 0.158 4.639 4.480 0.001 0.000 0.307 492 M C -1.875 174.481 176.300 0.094 0.000 1.315 492 M CA -1.394 53.963 55.300 0.095 0.000 0.734 492 M CB 1.667 34.336 32.600 0.115 0.000 1.392 492 M HN -0.092 nan 8.290 nan 0.000 0.496 493 P HA -0.207 nan 4.420 nan 0.000 0.218 493 P C 1.292 178.638 177.300 0.077 0.000 1.149 493 P CA 1.336 64.472 63.100 0.060 0.000 0.817 493 P CB -0.028 31.691 31.700 0.031 0.000 0.785 494 Q N 0.997 120.839 119.800 0.070 0.000 2.084 494 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 494 Q C 2.083 178.148 176.000 0.109 0.000 0.978 494 Q CA 2.285 58.130 55.803 0.070 0.000 0.844 494 Q CB -1.661 27.106 28.738 0.047 0.000 0.898 494 Q HN 0.185 nan 8.270 nan 0.000 0.426 495 A N 1.620 124.521 122.820 0.136 0.000 1.930 495 A HA -0.117 4.203 4.320 0.001 0.000 0.217 495 A C 2.336 180.122 177.584 0.337 0.000 1.175 495 A CA 2.286 54.453 52.037 0.216 0.000 0.627 495 A CB -0.987 18.123 19.000 0.184 0.000 0.815 495 A HN 0.693 nan 8.150 nan 0.000 0.443 496 T N -2.861 111.882 114.554 0.315 0.000 3.023 496 T HA -0.026 4.324 4.350 0.001 0.000 0.266 496 T C 1.489 176.296 174.700 0.178 0.000 1.093 496 T CA 1.174 63.465 62.100 0.319 0.000 1.129 496 T CB -0.086 68.936 68.868 0.256 0.000 0.899 496 T HN 0.384 nan 8.240 nan 0.000 0.491 497 E N 2.213 122.490 120.200 0.129 0.000 2.028 497 E HA -0.058 4.293 4.350 0.001 0.000 0.190 497 E C 2.688 179.324 176.600 0.059 0.000 0.984 497 E CA 1.582 58.031 56.400 0.081 0.000 0.800 497 E CB -0.467 29.271 29.700 0.063 0.000 0.758 497 E HN 0.752 nan 8.360 nan 0.000 0.448 498 S N 0.579 116.328 115.700 0.082 0.000 2.515 498 S HA -0.032 4.439 4.470 0.001 0.000 0.231 498 S C 2.027 176.524 174.600 -0.171 0.000 0.987 498 S CA 0.633 58.858 58.200 0.041 0.000 0.936 498 S CB -0.032 63.251 63.200 0.139 0.000 0.766 498 S HN 0.057 nan 8.310 nan 0.000 0.528 499 V N 2.040 121.768 119.914 -0.310 0.000 2.913 499 V HA -0.110 4.011 4.120 0.001 0.000 0.260 499 V C 2.083 178.009 176.094 -0.280 0.000 1.098 499 V CA 2.013 63.866 62.300 -0.744 0.000 1.121 499 V CB -0.797 30.552 31.823 -0.789 0.000 0.714 499 V HN 0.461 nan 8.190 nan 0.000 0.487 500 D N 0.476 120.853 120.400 -0.040 0.000 2.149 500 D HA -0.211 4.429 4.640 0.001 0.000 0.198 500 D C 2.092 178.399 176.300 0.013 0.000 0.990 500 D CA 1.803 55.852 54.000 0.081 0.000 0.839 500 D CB -0.050 40.784 40.800 0.057 0.000 0.948 500 D HN 0.682 nan 8.370 nan 0.000 0.460 501 E N -0.604 119.549 120.200 -0.079 0.000 2.110 501 E HA -0.116 4.235 4.350 0.001 0.000 0.193 501 E C 2.291 178.807 176.600 -0.141 0.000 0.988 501 E CA 0.750 57.098 56.400 -0.086 0.000 0.804 501 E CB 0.140 29.790 29.700 -0.084 0.000 0.745 501 E HN 0.173 nan 8.360 nan 0.000 0.458 502 V N 0.680 120.421 119.914 -0.290 0.000 2.295 502 V HA -0.237 3.883 4.120 0.001 0.000 0.246 502 V C 1.899 177.798 176.094 -0.326 0.000 1.049 502 V CA 1.647 63.716 62.300 -0.385 0.000 1.024 502 V CB -0.544 30.892 31.823 -0.646 0.000 0.648 502 V HN 0.176 nan 8.190 nan 0.000 0.447 503 F N 1.556 121.430 119.950 -0.126 0.000 2.186 503 F HA 0.018 4.546 4.527 0.003 0.000 0.299 503 F C 2.444 178.218 175.800 -0.044 0.000 1.090 503 F CA 1.376 59.339 58.000 -0.062 0.000 1.307 503 F CB -1.341 37.648 39.000 -0.019 0.000 1.019 503 F HN 0.190 nan 8.300 nan 0.000 0.489 504 G N -0.523 108.348 108.800 0.118 0.000 2.422 504 G HA2 -0.165 3.795 3.960 0.001 0.000 0.218 504 G HA3 -0.165 3.795 3.960 0.001 0.000 0.218 504 G C 1.887 176.799 174.900 0.020 0.000 1.146 504 G CA 0.820 45.955 45.100 0.059 0.000 0.769 504 G HN 0.450 nan 8.290 nan 0.000 0.547 505 A N 0.171 122.980 122.820 -0.019 0.000 1.930 505 A HA 0.140 4.461 4.320 0.001 0.000 0.217 505 A C 2.585 180.151 177.584 -0.030 0.000 1.175 505 A CA 1.591 53.607 52.037 -0.035 0.000 0.627 505 A CB -0.551 18.409 19.000 -0.067 0.000 0.815 505 A HN 0.230 nan 8.150 nan 0.000 0.443 506 V N 0.644 120.539 119.914 -0.032 0.000 2.282 506 V HA -0.291 3.829 4.120 0.001 0.000 0.249 506 V C 2.570 178.675 176.094 0.017 0.000 1.057 506 V CA 2.278 64.568 62.300 -0.017 0.000 1.032 506 V CB -0.614 31.207 31.823 -0.002 0.000 0.645 506 V HN 0.433 nan 8.190 nan 0.000 0.447 507 K N -0.172 120.256 120.400 0.046 0.000 2.057 507 K HA -0.170 4.151 4.320 0.001 0.000 0.207 507 K C 1.899 178.518 176.600 0.032 0.000 1.049 507 K CA 1.561 57.880 56.287 0.052 0.000 0.931 507 K CB -0.634 31.904 32.500 0.063 0.000 0.714 507 K HN 0.506 nan 8.250 nan 0.000 0.440 508 D N 0.400 120.811 120.400 0.018 0.000 2.097 508 D HA -0.116 4.525 4.640 0.001 0.000 0.195 508 D C 2.099 178.401 176.300 0.004 0.000 0.989 508 D CA 1.015 55.021 54.000 0.009 0.000 0.827 508 D CB -0.110 40.690 40.800 0.001 0.000 0.966 508 D HN 0.166 nan 8.370 nan 0.000 0.456 509 R N 0.407 120.904 120.500 -0.004 0.000 2.081 509 R HA -0.080 4.261 4.340 0.001 0.000 0.235 509 R C 2.442 178.738 176.300 -0.006 0.000 1.131 509 R CA 0.953 57.047 56.100 -0.011 0.000 0.960 509 R CB -0.163 30.123 30.300 -0.024 0.000 0.856 509 R HN 0.324 nan 8.270 nan 0.000 0.436 510 Q N 0.125 119.927 119.800 0.003 0.000 2.045 510 Q HA -0.189 4.152 4.340 0.001 0.000 0.206 510 Q C 2.236 178.248 176.000 0.020 0.000 0.991 510 Q CA 1.595 57.406 55.803 0.013 0.000 0.851 510 Q CB -0.124 28.637 28.738 0.039 0.000 0.911 510 Q HN 0.302 nan 8.270 nan 0.000 0.418 511 R N 0.283 120.798 120.500 0.024 0.000 2.073 511 R HA -0.090 4.251 4.340 0.001 0.000 0.234 511 R C 2.018 178.327 176.300 0.016 0.000 1.134 511 R CA 1.331 57.446 56.100 0.024 0.000 0.952 511 R CB -0.287 30.027 30.300 0.023 0.000 0.850 511 R HN 0.336 nan 8.270 nan 0.000 0.433 512 N N 0.875 119.581 118.700 0.009 0.000 2.120 512 N HA -0.126 4.615 4.740 0.001 0.000 0.188 512 N C 1.980 177.491 175.510 0.001 0.000 1.024 512 N CA 1.123 54.176 53.050 0.004 0.000 0.852 512 N CB -0.216 38.271 38.487 0.000 0.000 1.003 512 N HN 0.199 nan 8.380 nan 0.000 0.424 513 L N 0.379 121.600 121.223 -0.005 0.000 2.056 513 L HA -0.088 4.253 4.340 0.001 0.000 0.207 513 L C 2.311 179.178 176.870 -0.004 0.000 1.078 513 L CA 0.427 55.260 54.840 -0.012 0.000 0.749 513 L CB -0.399 41.645 42.059 -0.024 0.000 0.901 513 L HN 0.103 nan 8.230 nan 0.000 0.433 514 L N 0.191 121.417 121.223 0.005 0.000 2.042 514 L HA -0.232 4.109 4.340 0.001 0.000 0.210 514 L C 2.332 179.214 176.870 0.021 0.000 1.076 514 L CA 1.868 56.719 54.840 0.018 0.000 0.749 514 L CB -0.419 41.658 42.059 0.030 0.000 0.893 514 L HN 0.233 nan 8.230 nan 0.000 0.432 515 E N -1.449 118.762 120.200 0.018 0.000 2.158 515 E HA -0.121 4.230 4.350 0.001 0.000 0.191 515 E C 1.739 178.349 176.600 0.016 0.000 0.982 515 E CA 1.422 57.833 56.400 0.019 0.000 0.823 515 E CB -0.077 29.633 29.700 0.017 0.000 0.766 515 E HN 0.724 nan 8.360 nan 0.000 0.468 516 T N -1.737 112.822 114.554 0.010 0.000 2.990 516 T HA 0.209 4.560 4.350 0.001 0.000 0.250 516 T C 0.798 175.502 174.700 0.007 0.000 1.041 516 T CA -0.303 61.802 62.100 0.008 0.000 1.010 516 T CB 0.051 68.921 68.868 0.003 0.000 1.003 516 T HN -0.113 nan 8.240 nan 0.000 0.499 517 L N 3.572 124.796 121.223 0.001 0.000 2.397 517 L HA 0.401 4.741 4.340 0.001 0.000 0.271 517 L C -1.865 175.015 176.870 0.016 0.000 1.148 517 L CA -2.233 52.603 54.840 -0.006 0.000 0.825 517 L CB 0.591 42.633 42.059 -0.028 0.000 1.117 517 L HN 0.116 nan 8.230 nan 0.000 0.456 518 P HA 0.113 nan 4.420 nan 0.000 0.276 518 P C -0.682 176.656 177.300 0.063 0.000 1.261 518 P CA -0.581 62.554 63.100 0.057 0.000 0.800 518 P CB 0.909 32.662 31.700 0.089 0.000 1.066 519 S N 0.371 116.123 115.700 0.088 0.000 2.584 519 S HA -0.001 4.470 4.470 0.001 0.000 0.270 519 S C 1.348 176.027 174.600 0.132 0.000 1.346 519 S CA -0.566 57.698 58.200 0.107 0.000 1.018 519 S CB -0.110 63.173 63.200 0.138 0.000 0.899 519 S HN 0.407 nan 8.310 nan 0.000 0.542 520 L N 1.260 122.561 121.223 0.129 0.000 2.013 520 L HA -0.117 4.223 4.340 0.001 0.000 0.212 520 L C 2.423 179.426 176.870 0.222 0.000 1.073 520 L CA 2.658 57.597 54.840 0.166 0.000 0.753 520 L CB -1.569 40.568 42.059 0.130 0.000 0.890 520 L HN 1.056 nan 8.230 nan 0.000 0.432 521 H N -0.520 118.619 119.070 0.114 0.000 2.352 521 H HA -0.202 4.355 4.556 0.001 0.000 0.299 521 H C 2.224 177.614 175.328 0.103 0.000 1.097 521 H CA 2.204 58.314 56.048 0.103 0.000 1.311 521 H CB -0.093 29.719 29.762 0.084 0.000 1.377 521 H HN 0.615 nan 8.280 nan 0.000 0.504 522 E N -0.959 119.222 120.200 -0.032 0.000 2.077 522 E HA -0.207 4.144 4.350 0.001 0.000 0.193 522 E C 1.924 178.505 176.600 -0.032 0.000 0.989 522 E CA 1.141 57.493 56.400 -0.081 0.000 0.800 522 E CB -0.314 29.406 29.700 0.033 0.000 0.746 522 E HN 0.537 nan 8.360 nan 0.000 0.452 523 F N 1.099 121.022 119.950 -0.044 0.000 2.146 523 F HA -0.126 4.402 4.527 0.001 0.000 0.298 523 F C 1.931 177.725 175.800 -0.011 0.000 1.096 523 F CA 1.157 59.146 58.000 -0.017 0.000 1.275 523 F CB -0.060 38.948 39.000 0.014 0.000 1.008 523 F HN -0.004 nan 8.300 nan 0.000 0.480 524 L N -0.137 121.133 121.223 0.078 0.000 2.083 524 L HA -0.220 4.121 4.340 0.001 0.000 0.209 524 L C 2.588 179.406 176.870 -0.087 0.000 1.083 524 L CA 1.366 56.227 54.840 0.036 0.000 0.752 524 L CB -0.659 41.480 42.059 0.134 0.000 0.899 524 L HN 0.056 nan 8.230 nan 0.000 0.433 525 R N -0.430 119.958 120.500 -0.187 0.000 2.083 525 R HA -0.241 4.100 4.340 0.001 0.000 0.237 525 R C 2.343 178.538 176.300 -0.175 0.000 1.137 525 R CA 1.772 57.763 56.100 -0.181 0.000 0.951 525 R CB -0.408 29.743 30.300 -0.248 0.000 0.851 525 R HN 0.421 nan 8.270 nan 0.000 0.434 526 Q N 0.503 120.149 119.800 -0.257 0.000 2.020 526 Q HA -0.275 4.066 4.340 0.001 0.000 0.202 526 Q C 2.228 178.012 176.000 -0.360 0.000 0.982 526 Q CA 1.905 57.528 55.803 -0.300 0.000 0.838 526 Q CB 0.046 28.563 28.738 -0.368 0.000 0.899 526 Q HN 0.172 nan 8.270 nan 0.000 0.423 527 Q N -0.128 119.348 119.800 -0.540 0.000 2.030 527 Q HA -0.121 4.219 4.340 0.001 0.000 0.204 527 Q C 0.311 176.061 176.000 -0.416 0.000 0.986 527 Q CA 1.429 56.918 55.803 -0.523 0.000 0.843 527 Q CB -0.081 28.314 28.738 -0.572 0.000 0.904 527 Q HN 0.441 nan 8.270 nan 0.000 0.420 528 H N 0.000 118.955 119.070 -0.192 0.000 2.539 528 H HA 0.000 4.557 4.556 0.001 0.000 0.296 528 H CA 0.000 55.966 56.048 -0.136 0.000 1.023 528 H CB 0.000 29.696 29.762 -0.111 0.000 1.292 528 H HN 0.000 nan 8.280 nan 0.000 0.496