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 2jae_1_B DATA FIRST_RESID 4 DATA SEQUENCE DLIGKVKGSH SVVVLGGGPA GLCSAFELQK AGYKVTVLEA RTRPGGRVWT DATA SEQUENCE ARGGSEETDL SGETQKCTFS EGHFYNVGAT RIPQSHITLD YCRELGVEIQ DATA SEQUENCE GFGNQNANTF VNYQSDTSLS GQSVTYRAAK ADTFGYMSEL LKKATDQGAL DATA SEQUENCE DQVLSREDKD ALSEFLSDFG DLSDDGRYLG SSRRGYDSEP GAGLNFGTEK DATA SEQUENCE KPFAMQEVIR SGIGRNFSFD FGYDQAMMMF TPVGGMDRIY YAFQDRIGTD DATA SEQUENCE NIVFGAEVTS MKNVSEGVTV EYTAGGSKKS ITADYAICTI PPHLVGRLQN DATA SEQUENCE NLPGDVLTAL KAAKPSSSGK LGIEYSRRWW ETEDRIYGGA SNTDKDISQI DATA SEQUENCE MFPYDHYNSD RGVVVAYYSS GKRQEAFESL THRQRLAKAI AEGSEIHGEK DATA SEQUENCE YTRDISSSFS GSWRRTKYSE SAWANWAGXX XXXXXXATPE YEKLLEPVDK DATA SEQUENCE IYFAGDHLSN AIAWQHGALT SARDVVTHIH ERVAQ 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.277 176.300 -0.038 0.000 2.045 4 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 4 D CB 0.000 40.777 40.800 -0.038 0.000 0.688 5 L N 2.485 123.683 121.223 -0.042 0.000 2.027 5 L HA 0.241 4.581 4.340 -0.000 0.000 0.206 5 L C 0.488 177.306 176.870 -0.087 0.000 1.074 5 L CA 1.762 56.572 54.840 -0.050 0.000 0.745 5 L CB -0.095 41.941 42.059 -0.037 0.000 0.898 5 L HN 0.611 nan 8.230 nan 0.000 0.433 6 I N -4.311 116.173 120.570 -0.144 0.000 3.074 6 I HA 0.672 4.842 4.170 -0.000 0.000 0.310 6 I C 0.442 176.444 176.117 -0.193 0.000 1.153 6 I CA -0.840 60.320 61.300 -0.233 0.000 0.993 6 I CB 1.135 38.785 38.000 -0.583 0.000 1.237 6 I HN -0.026 nan 8.210 nan 0.000 0.443 7 G N 1.905 110.646 108.800 -0.098 0.000 2.588 7 G HA2 0.286 4.246 3.960 -0.000 0.000 0.278 7 G HA3 0.286 4.246 3.960 -0.000 0.000 0.278 7 G C -0.395 174.513 174.900 0.013 0.000 1.307 7 G CA -0.680 44.426 45.100 0.009 0.000 1.016 7 G HN 0.576 nan 8.290 nan 0.000 0.503 8 K N -0.221 120.211 120.400 0.054 0.000 2.350 8 K HA 0.184 4.504 4.320 -0.000 0.000 0.279 8 K C 0.083 176.758 176.600 0.125 0.000 1.027 8 K CA -0.365 55.954 56.287 0.053 0.000 0.969 8 K CB 1.716 34.225 32.500 0.016 0.000 0.954 8 K HN 0.174 nan 8.250 nan 0.000 0.474 9 V N 3.010 122.976 119.914 0.087 0.000 2.775 9 V HA 0.046 4.166 4.120 -0.000 0.000 0.299 9 V C -0.214 175.847 176.094 -0.055 0.000 1.062 9 V CA -0.241 62.043 62.300 -0.027 0.000 1.063 9 V CB 0.656 32.203 31.823 -0.459 0.000 0.994 9 V HN 0.579 nan 8.190 nan 0.000 0.483 10 K N 4.470 124.846 120.400 -0.040 0.000 2.183 10 K HA 0.729 5.049 4.320 -0.000 0.000 0.274 10 K C 0.343 177.004 176.600 0.102 0.000 1.009 10 K CA 0.700 56.995 56.287 0.013 0.000 0.888 10 K CB 1.110 33.614 32.500 0.007 0.000 1.078 10 K HN 1.261 nan 8.250 nan 0.000 0.459 11 G N 0.946 109.768 108.800 0.037 0.000 2.632 11 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.224 11 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.224 11 G C -0.810 174.022 174.900 -0.112 0.000 1.341 11 G CA -0.357 44.727 45.100 -0.027 0.000 0.880 11 G HN 0.591 nan 8.290 nan 0.000 0.566 12 S N 0.307 115.805 115.700 -0.337 0.000 2.438 12 S HA 0.715 5.185 4.470 -0.000 0.000 0.316 12 S C -0.500 173.727 174.600 -0.622 0.000 1.084 12 S CA -0.235 57.773 58.200 -0.320 0.000 1.107 12 S CB 0.320 63.398 63.200 -0.204 0.000 0.981 12 S HN 0.857 nan 8.310 nan 0.000 0.466 13 H N 1.282 120.336 119.070 -0.027 0.000 2.865 13 H HA 0.521 5.077 4.556 -0.000 0.000 0.362 13 H C -0.621 174.824 175.328 0.195 0.000 1.114 13 H CA -0.716 55.384 56.048 0.086 0.000 1.208 13 H CB 1.916 31.734 29.762 0.093 0.000 1.727 13 H HN 0.597 nan 8.280 nan 0.000 0.534 14 S N 1.736 117.620 115.700 0.307 0.000 2.536 14 S HA 0.836 5.306 4.470 -0.000 0.000 0.298 14 S C -0.979 173.770 174.600 0.248 0.000 1.083 14 S CA -0.738 57.600 58.200 0.230 0.000 0.995 14 S CB 1.708 64.972 63.200 0.107 0.000 1.058 14 S HN 0.328 nan 8.310 nan 0.000 0.488 15 V N 1.806 121.822 119.914 0.170 0.000 2.760 15 V HA 0.656 4.776 4.120 -0.000 0.000 0.309 15 V C -0.678 175.442 176.094 0.043 0.000 1.077 15 V CA -0.848 61.518 62.300 0.110 0.000 0.910 15 V CB 1.843 33.679 31.823 0.022 0.000 1.008 15 V HN 0.880 nan 8.190 nan 0.000 0.424 16 V N 5.654 125.585 119.914 0.028 0.000 2.435 16 V HA 0.663 4.783 4.120 -0.000 0.000 0.290 16 V C -0.613 175.459 176.094 -0.036 0.000 1.030 16 V CA -0.180 62.112 62.300 -0.014 0.000 0.881 16 V CB 1.926 33.743 31.823 -0.009 0.000 0.983 16 V HN 0.663 nan 8.190 nan 0.000 0.445 17 V N 8.005 127.873 119.914 -0.076 0.000 2.384 17 V HA 0.450 4.570 4.120 -0.000 0.000 0.287 17 V C -0.424 175.602 176.094 -0.114 0.000 1.020 17 V CA -0.606 61.640 62.300 -0.090 0.000 0.850 17 V CB 1.410 33.167 31.823 -0.111 0.000 0.987 17 V HN 0.717 nan 8.190 nan 0.000 0.436 18 L N 4.934 126.107 121.223 -0.084 0.000 2.255 18 L HA 0.816 5.156 4.340 -0.000 0.000 0.289 18 L C 0.698 177.510 176.870 -0.096 0.000 1.046 18 L CA 0.510 55.295 54.840 -0.093 0.000 0.816 18 L CB 0.787 42.821 42.059 -0.042 0.000 1.197 18 L HN 0.950 nan 8.230 nan 0.000 0.427 19 G N 1.975 110.686 108.800 -0.147 0.000 3.225 19 G HA2 0.157 4.117 3.960 -0.000 0.000 0.686 19 G HA3 0.157 4.117 3.960 -0.000 0.000 0.686 19 G C 0.036 174.834 174.900 -0.170 0.000 1.105 19 G CA -0.563 44.448 45.100 -0.148 0.000 0.831 19 G HN 0.936 nan 8.290 nan 0.000 0.578 20 G N 0.905 109.593 108.800 -0.186 0.000 4.291 20 G HA2 0.698 4.658 3.960 -0.000 0.000 0.304 20 G HA3 0.698 4.658 3.960 -0.000 0.000 0.304 20 G C 0.848 175.656 174.900 -0.154 0.000 1.264 20 G CA 0.920 45.912 45.100 -0.181 0.000 1.039 20 G HN 1.305 nan 8.290 nan 0.000 0.578 21 G N 0.538 109.229 108.800 -0.181 0.000 2.508 21 G HA2 0.450 4.410 3.960 -0.000 0.000 0.278 21 G HA3 0.450 4.410 3.960 -0.000 0.000 0.278 21 G C -0.997 173.695 174.900 -0.346 0.000 1.389 21 G CA -0.914 44.031 45.100 -0.259 0.000 1.050 21 G HN 0.008 nan 8.290 nan 0.000 0.522 22 P HA -0.120 nan 4.420 nan 0.000 0.215 22 P C 2.098 179.235 177.300 -0.271 0.000 1.157 22 P CA 2.405 65.269 63.100 -0.393 0.000 0.874 22 P CB 0.058 31.567 31.700 -0.318 0.000 0.790 23 A N -0.380 122.323 122.820 -0.196 0.000 1.902 23 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 23 A C 2.496 179.966 177.584 -0.191 0.000 1.181 23 A CA 2.086 54.027 52.037 -0.160 0.000 0.623 23 A CB -1.846 17.108 19.000 -0.077 0.000 0.818 23 A HN 0.283 nan 8.150 nan 0.000 0.443 24 G N -0.293 108.397 108.800 -0.183 0.000 2.402 24 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 24 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 24 G C 1.563 176.327 174.900 -0.227 0.000 1.162 24 G CA 0.974 45.967 45.100 -0.177 0.000 0.777 24 G HN 0.416 nan 8.290 nan 0.000 0.539 25 L N -0.075 120.968 121.223 -0.300 0.000 2.056 25 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 25 L C 2.995 179.492 176.870 -0.622 0.000 1.078 25 L CA 0.810 55.417 54.840 -0.388 0.000 0.749 25 L CB -0.597 41.240 42.059 -0.369 0.000 0.901 25 L HN 0.390 nan 8.230 nan 0.000 0.433 26 C N -0.495 118.325 119.300 -0.799 0.000 2.429 26 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 26 C C 3.187 178.051 174.990 -0.210 0.000 1.262 26 C CA 1.434 60.049 59.018 -0.671 0.000 1.733 26 C CB -0.549 26.846 27.740 -0.575 0.000 2.010 26 C HN 0.521 nan 8.230 nan 0.000 0.483 27 S N 0.832 116.411 115.700 -0.202 0.000 2.353 27 S HA -0.145 4.325 4.470 -0.000 0.000 0.222 27 S C 2.213 176.749 174.600 -0.106 0.000 1.035 27 S CA 1.678 59.790 58.200 -0.145 0.000 1.025 27 S CB -0.684 62.420 63.200 -0.158 0.000 0.902 27 S HN 0.854 nan 8.310 nan 0.000 0.440 28 A N 0.850 123.615 122.820 -0.093 0.000 1.902 28 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 28 A C 1.918 179.531 177.584 0.048 0.000 1.181 28 A CA 1.489 53.502 52.037 -0.040 0.000 0.623 28 A CB -0.878 18.096 19.000 -0.043 0.000 0.818 28 A HN 0.495 nan 8.150 nan 0.000 0.443 29 F N 0.987 120.906 119.950 -0.052 0.000 2.095 29 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 29 F C 2.270 178.111 175.800 0.069 0.000 1.104 29 F CA 2.228 60.271 58.000 0.072 0.000 1.232 29 F CB -0.050 39.081 39.000 0.219 0.000 0.987 29 F HN 0.224 nan 8.300 nan 0.000 0.475 30 E N 0.546 120.787 120.200 0.068 0.000 2.107 30 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 30 E C 2.455 178.982 176.600 -0.120 0.000 0.982 30 E CA 1.131 57.497 56.400 -0.058 0.000 0.809 30 E CB -0.628 29.096 29.700 0.039 0.000 0.756 30 E HN 0.471 nan 8.360 nan 0.000 0.459 31 L N 0.870 122.020 121.223 -0.121 0.000 2.046 31 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 31 L C 2.857 179.763 176.870 0.061 0.000 1.077 31 L CA 1.291 56.054 54.840 -0.128 0.000 0.747 31 L CB -0.376 41.530 42.059 -0.254 0.000 0.896 31 L HN 0.152 nan 8.230 nan 0.000 0.432 32 Q N 0.388 120.187 119.800 -0.001 0.000 2.084 32 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 32 Q C 2.203 178.177 176.000 -0.043 0.000 0.978 32 Q CA 1.537 57.345 55.803 0.008 0.000 0.844 32 Q CB 0.088 28.818 28.738 -0.013 0.000 0.898 32 Q HN 0.374 nan 8.270 nan 0.000 0.426 33 K N -0.352 119.954 120.400 -0.156 0.000 2.113 33 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 33 K C 1.758 178.312 176.600 -0.075 0.000 1.047 33 K CA 1.267 57.448 56.287 -0.176 0.000 0.928 33 K CB -0.109 32.218 32.500 -0.288 0.000 0.716 33 K HN 0.247 nan 8.250 nan 0.000 0.446 34 A N -0.279 122.532 122.820 -0.015 0.000 2.251 34 A HA 0.188 4.507 4.320 -0.000 0.000 0.209 34 A C 1.250 178.863 177.584 0.048 0.000 1.187 34 A CA 0.914 52.969 52.037 0.029 0.000 0.823 34 A CB 0.026 19.063 19.000 0.061 0.000 0.846 34 A HN 0.438 nan 8.150 nan 0.000 0.486 35 G N -2.385 106.449 108.800 0.055 0.000 2.148 35 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.203 35 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.203 35 G C -0.058 174.832 174.900 -0.017 0.000 0.993 35 G CA -0.033 45.066 45.100 -0.002 0.000 0.661 35 G HN 0.394 nan 8.290 nan 0.000 0.518 36 Y N 0.378 120.700 120.300 0.035 0.000 2.336 36 Y HA 0.469 5.019 4.550 -0.000 0.000 0.331 36 Y C 0.964 176.887 175.900 0.039 0.000 1.211 36 Y CA 0.117 58.255 58.100 0.063 0.000 1.346 36 Y CB 0.747 39.239 38.460 0.054 0.000 1.271 36 Y HN 0.118 nan 8.280 nan 0.000 0.538 37 K N 2.872 123.389 120.400 0.194 0.000 2.339 37 K HA 0.430 4.750 4.320 -0.000 0.000 0.286 37 K C -1.372 175.306 176.600 0.130 0.000 1.050 37 K CA -0.327 56.034 56.287 0.123 0.000 0.956 37 K CB 0.141 32.691 32.500 0.083 0.000 0.990 37 K HN 0.473 nan 8.250 nan 0.000 0.475 38 V N 0.663 120.623 119.914 0.076 0.000 2.789 38 V HA 0.733 4.853 4.120 -0.000 0.000 0.311 38 V C -0.930 175.166 176.094 0.003 0.000 1.073 38 V CA -0.557 61.765 62.300 0.037 0.000 0.921 38 V CB 2.066 33.899 31.823 0.017 0.000 1.009 38 V HN 0.738 nan 8.190 nan 0.000 0.426 39 T N 3.314 117.853 114.554 -0.026 0.000 2.879 39 T HA 0.636 4.986 4.350 -0.000 0.000 0.290 39 T C -0.587 174.042 174.700 -0.118 0.000 0.993 39 T CA -0.450 61.610 62.100 -0.066 0.000 0.975 39 T CB 1.645 70.480 68.868 -0.056 0.000 0.981 39 T HN 0.758 nan 8.240 nan 0.000 0.439 40 V N 4.639 124.451 119.914 -0.169 0.000 2.427 40 V HA 0.493 4.612 4.120 -0.000 0.000 0.286 40 V C -0.312 175.583 176.094 -0.332 0.000 1.034 40 V CA -0.804 61.358 62.300 -0.230 0.000 0.893 40 V CB 1.298 32.976 31.823 -0.241 0.000 0.982 40 V HN 0.715 nan 8.190 nan 0.000 0.452 41 L N 4.388 125.407 121.223 -0.341 0.000 2.298 41 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 41 L C -0.403 176.244 176.870 -0.373 0.000 1.013 41 L CA -0.392 54.185 54.840 -0.438 0.000 0.824 41 L CB 1.598 43.357 42.059 -0.499 0.000 1.221 41 L HN 0.620 nan 8.230 nan 0.000 0.418 42 E N 2.208 122.163 120.200 -0.408 0.000 2.199 42 E HA 0.525 4.875 4.350 -0.000 0.000 0.265 42 E C 0.211 176.644 176.600 -0.279 0.000 0.882 42 E CA -0.346 55.859 56.400 -0.326 0.000 0.759 42 E CB 2.099 31.596 29.700 -0.339 0.000 1.148 42 E HN 0.548 nan 8.360 nan 0.000 0.412 43 A N 5.327 127.916 122.820 -0.385 0.000 1.930 43 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 43 A C 1.070 178.400 177.584 -0.425 0.000 1.175 43 A CA 0.908 52.590 52.037 -0.592 0.000 0.627 43 A CB -0.189 17.975 19.000 -1.393 0.000 0.815 43 A HN 0.598 nan 8.150 nan 0.000 0.443 44 R N -0.717 119.620 120.500 -0.272 0.000 2.652 44 R HA 0.319 4.659 4.340 -0.000 0.000 0.271 44 R C 0.872 177.217 176.300 0.074 0.000 1.129 44 R CA 0.571 56.637 56.100 -0.056 0.000 1.200 44 R CB 0.083 30.359 30.300 -0.041 0.000 1.146 44 R HN 0.353 nan 8.270 nan 0.000 0.581 45 T N -1.729 112.844 114.554 0.031 0.000 3.244 45 T HA 0.171 4.521 4.350 -0.000 0.000 0.254 45 T C 0.167 174.751 174.700 -0.193 0.000 1.024 45 T CA -0.500 61.586 62.100 -0.022 0.000 0.920 45 T CB -0.435 68.421 68.868 -0.019 0.000 1.042 45 T HN 0.601 nan 8.240 nan 0.000 0.572 46 R N -0.488 119.934 120.500 -0.129 0.000 2.740 46 R HA 0.713 5.053 4.340 -0.000 0.000 0.273 46 R C -3.468 172.807 176.300 -0.042 0.000 0.998 46 R CA -2.181 53.801 56.100 -0.195 0.000 0.900 46 R CB 0.826 31.100 30.300 -0.043 0.000 1.223 46 R HN -0.080 nan 8.270 nan 0.000 0.466 47 P HA 0.253 nan 4.420 nan 0.000 0.284 47 P C 0.143 177.392 177.300 -0.084 0.000 1.258 47 P CA 0.321 63.426 63.100 0.008 0.000 0.824 47 P CB 1.617 33.281 31.700 -0.060 0.000 1.038 48 G N 0.348 109.092 108.800 -0.093 0.000 2.380 48 G HA2 0.024 3.984 3.960 -0.000 0.000 0.197 48 G HA3 0.024 3.984 3.960 -0.000 0.000 0.197 48 G C 0.672 175.443 174.900 -0.215 0.000 1.001 48 G CA 0.347 45.307 45.100 -0.233 0.000 0.668 48 G HN 0.906 nan 8.290 nan 0.000 0.483 49 G N 0.553 109.299 108.800 -0.090 0.000 2.602 49 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.310 49 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.310 49 G C 0.954 175.886 174.900 0.053 0.000 1.183 49 G CA 1.355 46.430 45.100 -0.041 0.000 0.979 49 G HN 1.073 nan 8.290 nan 0.000 0.545 50 R N -0.041 120.416 120.500 -0.071 0.000 2.316 50 R HA 0.216 4.556 4.340 -0.000 0.000 0.202 50 R C 0.644 176.890 176.300 -0.090 0.000 1.029 50 R CA 0.572 56.504 56.100 -0.280 0.000 1.018 50 R CB -0.052 29.939 30.300 -0.516 0.000 0.888 50 R HN 0.251 nan 8.270 nan 0.000 0.471 51 V N 1.581 121.498 119.914 0.004 0.000 2.356 51 V HA 0.081 4.200 4.120 -0.000 0.000 0.258 51 V C -0.796 175.500 176.094 0.337 0.000 1.065 51 V CA -0.344 62.039 62.300 0.138 0.000 0.935 51 V CB 0.368 32.223 31.823 0.054 0.000 1.061 51 V HN 0.213 nan 8.190 nan 0.000 0.484 52 W N 4.655 126.081 121.300 0.211 0.000 2.830 52 W HA 0.618 5.278 4.660 -0.000 0.000 0.335 52 W C -0.595 176.012 176.519 0.148 0.000 1.043 52 W CA -0.871 56.606 57.345 0.219 0.000 1.239 52 W CB 1.896 31.566 29.460 0.351 0.000 1.378 52 W HN 0.407 nan 8.180 nan 0.000 0.456 53 T N 5.017 119.661 114.554 0.150 0.000 2.786 53 T HA 0.676 5.026 4.350 -0.000 0.000 0.283 53 T C -0.103 174.426 174.700 -0.285 0.000 0.992 53 T CA -0.359 61.688 62.100 -0.088 0.000 0.954 53 T CB 1.115 69.990 68.868 0.012 0.000 0.934 53 T HN 0.539 nan 8.240 nan 0.000 0.440 54 A N 4.792 127.276 122.820 -0.559 0.000 2.320 54 A HA 0.713 5.033 4.320 -0.000 0.000 0.287 54 A C 0.344 177.835 177.584 -0.155 0.000 1.181 54 A CA -0.482 51.178 52.037 -0.629 0.000 0.831 54 A CB 0.364 18.753 19.000 -1.018 0.000 1.102 54 A HN 0.831 nan 8.150 nan 0.000 0.513 55 R N 1.384 121.785 120.500 -0.164 0.000 2.855 55 R HA 0.562 4.901 4.340 -0.000 0.000 0.266 55 R C 0.354 176.585 176.300 -0.114 0.000 1.034 55 R CA -0.641 55.484 56.100 0.043 0.000 0.944 55 R CB 1.435 31.768 30.300 0.056 0.000 1.219 55 R HN 0.844 nan 8.270 nan 0.000 0.474 56 G N -0.372 108.430 108.800 0.004 0.000 2.178 56 G HA2 0.272 4.232 3.960 -0.000 0.000 0.244 56 G HA3 0.272 4.232 3.960 -0.000 0.000 0.244 56 G C 0.922 175.775 174.900 -0.080 0.000 1.213 56 G CA 0.884 45.950 45.100 -0.057 0.000 0.912 56 G HN 0.829 nan 8.290 nan 0.000 0.474 57 G N 1.395 110.130 108.800 -0.108 0.000 2.241 57 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 57 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 57 G C 0.794 175.645 174.900 -0.082 0.000 0.998 57 G CA 0.407 45.462 45.100 -0.074 0.000 0.621 57 G HN 1.249 nan 8.290 nan 0.000 0.519 58 S N 1.046 116.652 115.700 -0.156 0.000 2.537 58 S HA 0.435 4.905 4.470 -0.000 0.000 0.286 58 S C 0.116 174.683 174.600 -0.056 0.000 1.299 58 S CA 0.570 58.694 58.200 -0.127 0.000 1.067 58 S CB 1.481 64.482 63.200 -0.333 0.000 0.864 58 S HN 0.580 nan 8.310 nan 0.000 0.494 59 E N 1.699 121.952 120.200 0.090 0.000 2.248 59 E HA 0.481 4.831 4.350 -0.000 0.000 0.267 59 E C -1.216 175.513 176.600 0.215 0.000 0.877 59 E CA -0.578 55.913 56.400 0.151 0.000 0.759 59 E CB 1.318 31.062 29.700 0.073 0.000 1.182 59 E HN 0.520 nan 8.360 nan 0.000 0.418 60 E N 1.916 122.267 120.200 0.252 0.000 2.290 60 E HA 0.322 4.672 4.350 -0.000 0.000 0.274 60 E C -1.797 174.838 176.600 0.059 0.000 0.889 60 E CA -0.509 55.990 56.400 0.165 0.000 0.760 60 E CB 2.027 31.926 29.700 0.331 0.000 1.206 60 E HN 0.315 nan 8.360 nan 0.000 0.419 61 T N 4.214 118.769 114.554 0.002 0.000 2.758 61 T HA 0.353 4.703 4.350 -0.000 0.000 0.285 61 T C -0.636 174.029 174.700 -0.058 0.000 0.981 61 T CA -0.807 61.278 62.100 -0.025 0.000 0.965 61 T CB 0.501 69.356 68.868 -0.021 0.000 0.927 61 T HN 0.543 nan 8.240 nan 0.000 0.448 62 D N 2.447 122.810 120.400 -0.062 0.000 2.451 62 D HA 0.161 4.801 4.640 -0.000 0.000 0.259 62 D C 1.179 177.434 176.300 -0.074 0.000 1.201 62 D CA -0.944 53.009 54.000 -0.079 0.000 1.028 62 D CB 0.606 41.362 40.800 -0.073 0.000 1.095 62 D HN 0.327 nan 8.370 nan 0.000 0.539 63 L N -0.296 120.882 121.223 -0.076 0.000 2.551 63 L HA -0.059 4.281 4.340 -0.000 0.000 0.228 63 L C 2.046 178.887 176.870 -0.048 0.000 1.153 63 L CA 0.959 55.757 54.840 -0.071 0.000 0.851 63 L CB -0.463 41.554 42.059 -0.071 0.000 0.959 63 L HN 0.493 nan 8.230 nan 0.000 0.451 64 S N -0.997 114.680 115.700 -0.038 0.000 2.562 64 S HA 0.112 4.582 4.470 -0.000 0.000 0.221 64 S C 1.576 176.161 174.600 -0.025 0.000 0.975 64 S CA 0.432 58.616 58.200 -0.027 0.000 0.918 64 S CB 0.332 63.521 63.200 -0.018 0.000 0.772 64 S HN 0.507 nan 8.310 nan 0.000 0.531 65 G N 0.797 109.578 108.800 -0.031 0.000 2.157 65 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 65 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 65 G C -0.211 174.677 174.900 -0.021 0.000 0.979 65 G CA 0.205 45.289 45.100 -0.026 0.000 0.650 65 G HN 0.724 nan 8.290 nan 0.000 0.529 66 E N 1.070 121.257 120.200 -0.023 0.000 2.259 66 E HA 0.495 4.845 4.350 -0.000 0.000 0.281 66 E C -0.238 176.344 176.600 -0.030 0.000 1.037 66 E CA -0.069 56.319 56.400 -0.020 0.000 0.854 66 E CB 0.433 30.125 29.700 -0.014 0.000 1.051 66 E HN 0.113 nan 8.360 nan 0.000 0.409 67 T N 4.956 119.497 114.554 -0.022 0.000 2.767 67 T HA 0.239 4.589 4.350 -0.000 0.000 0.284 67 T C -0.547 174.135 174.700 -0.031 0.000 0.973 67 T CA -0.547 61.544 62.100 -0.016 0.000 0.996 67 T CB 1.196 70.064 68.868 0.001 0.000 0.927 67 T HN 0.463 nan 8.240 nan 0.000 0.456 68 Q N 2.123 121.899 119.800 -0.040 0.000 2.309 68 Q HA 0.464 4.804 4.340 -0.000 0.000 0.264 68 Q C -0.652 175.421 176.000 0.123 0.000 1.008 68 Q CA -0.840 54.922 55.803 -0.068 0.000 0.853 68 Q CB 2.136 30.651 28.738 -0.372 0.000 1.314 68 Q HN 0.441 nan 8.270 nan 0.000 0.448 69 K N 1.342 121.795 120.400 0.090 0.000 2.483 69 K HA 0.310 4.630 4.320 -0.000 0.000 0.256 69 K C -1.021 175.586 176.600 0.012 0.000 0.961 69 K CA -0.515 55.814 56.287 0.070 0.000 0.873 69 K CB 1.591 34.099 32.500 0.013 0.000 1.107 69 K HN 0.563 nan 8.250 nan 0.000 0.432 70 C N 2.959 122.178 119.300 -0.135 0.000 2.637 70 C HA 0.226 4.686 4.460 -0.000 0.000 0.418 70 C C 1.385 176.175 174.990 -0.334 0.000 1.319 70 C CA 0.176 58.923 59.018 -0.452 0.000 1.949 70 C CB -0.722 26.397 27.740 -1.035 0.000 2.639 70 C HN 0.958 nan 8.230 nan 0.000 0.594 71 T N 2.579 116.940 114.554 -0.321 0.000 3.339 71 T HA 0.300 4.649 4.350 -0.000 0.000 0.292 71 T C -0.107 174.587 174.700 -0.010 0.000 1.012 71 T CA -0.373 61.651 62.100 -0.127 0.000 0.937 71 T CB -0.569 68.264 68.868 -0.058 0.000 1.164 71 T HN 0.456 nan 8.240 nan 0.000 0.509 72 F N 2.941 122.866 119.950 -0.042 0.000 2.595 72 F HA 0.354 4.881 4.527 -0.000 0.000 0.359 72 F C 1.351 177.141 175.800 -0.017 0.000 1.147 72 F CA -0.922 57.059 58.000 -0.031 0.000 1.341 72 F CB -0.120 38.881 39.000 0.001 0.000 1.104 72 F HN 0.112 nan 8.300 nan 0.000 0.603 73 S N 0.864 116.659 115.700 0.159 0.000 2.569 73 S HA -0.040 4.430 4.470 -0.000 0.000 0.274 73 S C 0.196 174.903 174.600 0.178 0.000 1.353 73 S CA -0.691 57.558 58.200 0.082 0.000 1.023 73 S CB 0.114 63.269 63.200 -0.075 0.000 0.876 73 S HN 0.593 nan 8.310 nan 0.000 0.540 74 E N 0.302 120.582 120.200 0.134 0.000 2.558 74 E HA 0.215 4.565 4.350 -0.000 0.000 0.255 74 E C 1.213 177.914 176.600 0.168 0.000 0.968 74 E CA 0.749 57.226 56.400 0.127 0.000 0.939 74 E CB -0.270 29.478 29.700 0.080 0.000 0.921 74 E HN 0.879 nan 8.360 nan 0.000 0.477 75 G N 3.738 112.626 108.800 0.146 0.000 2.199 75 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 75 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 75 G C -0.247 174.723 174.900 0.115 0.000 0.982 75 G CA 0.466 45.648 45.100 0.137 0.000 0.632 75 G HN 0.730 nan 8.290 nan 0.000 0.529 76 H N -0.282 118.864 119.070 0.126 0.000 2.463 76 H HA 0.701 5.257 4.556 -0.000 0.000 0.332 76 H C 0.142 175.545 175.328 0.125 0.000 1.127 76 H CA 0.222 56.259 56.048 -0.019 0.000 1.238 76 H CB 1.022 30.645 29.762 -0.232 0.000 1.478 76 H HN 0.616 nan 8.280 nan 0.000 0.499 77 F N 0.442 120.383 119.950 -0.016 0.000 2.773 77 F HA 0.513 5.040 4.527 -0.000 0.000 0.314 77 F C -2.005 173.807 175.800 0.020 0.000 1.160 77 F CA -1.476 56.551 58.000 0.046 0.000 0.920 77 F CB 1.108 40.133 39.000 0.041 0.000 1.323 77 F HN 0.491 nan 8.300 nan 0.000 0.457 78 Y N -0.444 119.938 120.300 0.137 0.000 2.588 78 Y HA 0.606 5.156 4.550 -0.000 0.000 0.343 78 Y C -1.823 174.234 175.900 0.261 0.000 1.065 78 Y CA -1.652 56.502 58.100 0.089 0.000 1.038 78 Y CB 1.421 39.821 38.460 -0.100 0.000 1.297 78 Y HN 0.723 nan 8.280 nan 0.000 0.467 79 N N 1.756 120.616 118.700 0.266 0.000 2.401 79 N HA 0.262 5.001 4.740 -0.000 0.000 0.255 79 N C 0.346 175.872 175.510 0.026 0.000 1.110 79 N CA -0.391 52.737 53.050 0.131 0.000 0.949 79 N CB 1.797 40.454 38.487 0.282 0.000 1.110 79 N HN 0.583 nan 8.380 nan 0.000 0.490 80 V N 1.472 121.271 119.914 -0.190 0.000 2.719 80 V HA -0.007 4.113 4.120 -0.000 0.000 0.252 80 V C 1.546 177.940 176.094 0.499 0.000 1.065 80 V CA 1.642 63.948 62.300 0.009 0.000 1.086 80 V CB -0.614 30.986 31.823 -0.372 0.000 0.700 80 V HN 0.794 nan 8.190 nan 0.000 0.467 81 G N -0.886 108.198 108.800 0.472 0.000 3.434 81 G HA2 0.540 4.500 3.960 -0.000 0.000 0.197 81 G HA3 0.540 4.500 3.960 -0.000 0.000 0.197 81 G C 0.264 175.208 174.900 0.073 0.000 1.559 81 G CA 0.110 45.358 45.100 0.246 0.000 0.852 81 G HN 0.473 nan 8.290 nan 0.000 0.682 82 A N -0.663 122.180 122.820 0.038 0.000 2.567 82 A HA 0.472 4.792 4.320 -0.000 0.000 0.240 82 A C 0.890 178.521 177.584 0.078 0.000 1.053 82 A CA 1.439 53.493 52.037 0.028 0.000 0.755 82 A CB 0.347 19.391 19.000 0.072 0.000 0.978 82 A HN 0.688 nan 8.150 nan 0.000 0.507 83 T N 1.079 115.641 114.554 0.013 0.000 3.029 83 T HA 0.197 4.547 4.350 -0.000 0.000 0.256 83 T C 0.434 174.998 174.700 -0.228 0.000 0.914 83 T CA 0.469 62.582 62.100 0.021 0.000 0.880 83 T CB -0.053 68.885 68.868 0.117 0.000 1.246 83 T HN 0.938 nan 8.240 nan 0.000 0.523 84 R N 0.582 120.911 120.500 -0.286 0.000 2.771 84 R HA 0.762 5.102 4.340 -0.000 0.000 0.274 84 R C -1.764 174.542 176.300 0.010 0.000 0.987 84 R CA -0.915 54.908 56.100 -0.460 0.000 0.908 84 R CB 1.414 31.104 30.300 -1.016 0.000 1.213 84 R HN 0.177 nan 8.270 nan 0.000 0.468 85 I N 2.022 122.599 120.570 0.011 0.000 2.512 85 I HA 0.386 4.556 4.170 -0.000 0.000 0.287 85 I C -2.444 173.648 176.117 -0.042 0.000 1.069 85 I CA -2.478 58.877 61.300 0.091 0.000 1.056 85 I CB 2.794 40.893 38.000 0.166 0.000 1.229 85 I HN 0.489 nan 8.210 nan 0.000 0.429 86 P HA 0.214 nan 4.420 nan 0.000 0.276 86 P C -0.282 176.853 177.300 -0.275 0.000 1.252 86 P CA -0.300 62.557 63.100 -0.406 0.000 0.802 86 P CB 1.053 32.253 31.700 -0.833 0.000 1.035 87 Q N 0.212 119.911 119.800 -0.168 0.000 2.291 87 Q HA -0.095 4.245 4.340 -0.000 0.000 0.205 87 Q C 1.880 177.810 176.000 -0.116 0.000 0.970 87 Q CA 1.904 57.657 55.803 -0.083 0.000 0.876 87 Q CB -0.344 28.375 28.738 -0.031 0.000 0.935 87 Q HN 0.564 nan 8.270 nan 0.000 0.455 88 S N -1.198 114.381 115.700 -0.202 0.000 2.528 88 S HA -0.016 4.454 4.470 -0.000 0.000 0.219 88 S C 0.292 174.894 174.600 0.003 0.000 0.985 88 S CA -0.236 57.912 58.200 -0.087 0.000 0.914 88 S CB -0.170 62.991 63.200 -0.065 0.000 0.776 88 S HN 0.333 nan 8.310 nan 0.000 0.526 89 H N 0.512 119.472 119.070 -0.183 0.000 2.652 89 H HA 0.295 4.850 4.556 -0.000 0.000 0.349 89 H C 0.982 176.400 175.328 0.151 0.000 1.099 89 H CA -0.173 55.808 56.048 -0.112 0.000 1.417 89 H CB 1.104 30.828 29.762 -0.064 0.000 1.457 89 H HN 0.132 nan 8.280 nan 0.000 0.568 90 I N 2.364 123.253 120.570 0.531 0.000 2.756 90 I HA -0.229 3.941 4.170 -0.000 0.000 0.262 90 I C 1.496 177.830 176.117 0.362 0.000 1.225 90 I CA 0.795 62.310 61.300 0.358 0.000 1.472 90 I CB 0.022 38.216 38.000 0.323 0.000 1.094 90 I HN 0.683 nan 8.210 nan 0.000 0.454 91 T N 1.370 116.155 114.554 0.383 0.000 2.699 91 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 91 T C 1.805 176.635 174.700 0.216 0.000 1.036 91 T CA 1.552 63.849 62.100 0.328 0.000 1.147 91 T CB -0.339 68.727 68.868 0.331 0.000 0.862 91 T HN 0.365 nan 8.240 nan 0.000 0.446 92 L N 0.654 121.969 121.223 0.153 0.000 2.093 92 L HA -0.085 4.254 4.340 -0.000 0.000 0.208 92 L C 2.335 179.206 176.870 0.002 0.000 1.085 92 L CA 1.321 56.188 54.840 0.045 0.000 0.755 92 L CB -0.717 41.331 42.059 -0.018 0.000 0.904 92 L HN 0.213 nan 8.230 nan 0.000 0.435 93 D N -0.651 119.753 120.400 0.008 0.000 2.117 93 D HA -0.207 4.432 4.640 -0.000 0.000 0.197 93 D C 1.980 178.184 176.300 -0.159 0.000 0.987 93 D CA 1.370 55.314 54.000 -0.093 0.000 0.829 93 D CB -0.225 40.492 40.800 -0.138 0.000 0.961 93 D HN 0.233 nan 8.370 nan 0.000 0.460 94 Y N 0.375 120.655 120.300 -0.033 0.000 2.293 94 Y HA -0.145 4.405 4.550 0.000 0.000 0.291 94 Y C 2.462 178.220 175.900 -0.237 0.000 1.137 94 Y CA 0.404 58.420 58.100 -0.139 0.000 1.202 94 Y CB -0.509 37.889 38.460 -0.102 0.000 0.990 94 Y HN 0.079 nan 8.280 nan 0.000 0.537 95 C N -0.433 118.848 119.300 -0.031 0.000 2.413 95 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 95 C C 2.861 177.789 174.990 -0.102 0.000 1.248 95 C CA 1.258 60.219 59.018 -0.094 0.000 1.742 95 C CB -1.019 26.689 27.740 -0.052 0.000 2.017 95 C HN 0.494 nan 8.230 nan 0.000 0.481 96 R N 1.026 121.472 120.500 -0.090 0.000 2.070 96 R HA -0.178 4.161 4.340 -0.000 0.000 0.233 96 R C 2.186 178.432 176.300 -0.089 0.000 1.137 96 R CA 2.115 58.163 56.100 -0.087 0.000 0.945 96 R CB -0.424 29.825 30.300 -0.085 0.000 0.845 96 R HN 0.495 nan 8.270 nan 0.000 0.430 97 E N 0.680 120.815 120.200 -0.108 0.000 2.118 97 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 97 E C 1.726 178.273 176.600 -0.087 0.000 0.992 97 E CA 1.434 57.786 56.400 -0.080 0.000 0.804 97 E CB -0.162 29.484 29.700 -0.089 0.000 0.741 97 E HN 0.468 nan 8.360 nan 0.000 0.458 98 L N -1.246 119.872 121.223 -0.176 0.000 2.567 98 L HA 0.275 4.615 4.340 -0.000 0.000 0.225 98 L C 1.304 178.091 176.870 -0.139 0.000 1.119 98 L CA 0.267 54.972 54.840 -0.225 0.000 0.871 98 L CB 0.004 41.799 42.059 -0.439 0.000 1.036 98 L HN 0.383 nan 8.230 nan 0.000 0.459 99 G N 0.843 109.581 108.800 -0.103 0.000 2.198 99 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.257 99 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.257 99 G C -0.003 174.854 174.900 -0.073 0.000 1.042 99 G CA 0.022 45.079 45.100 -0.071 0.000 0.791 99 G HN 0.110 nan 8.290 nan 0.000 0.502 100 V N 0.819 120.678 119.914 -0.093 0.000 2.348 100 V HA 0.334 4.454 4.120 -0.000 0.000 0.270 100 V C 0.859 176.923 176.094 -0.049 0.000 1.037 100 V CA -0.556 61.695 62.300 -0.080 0.000 0.872 100 V CB 1.554 33.305 31.823 -0.119 0.000 1.002 100 V HN 0.504 nan 8.190 nan 0.000 0.464 101 E N 5.177 125.360 120.200 -0.029 0.000 2.384 101 E HA 0.267 4.617 4.350 -0.000 0.000 0.266 101 E C -0.344 176.267 176.600 0.019 0.000 1.012 101 E CA -0.254 56.142 56.400 -0.007 0.000 0.901 101 E CB 0.741 30.443 29.700 0.002 0.000 0.967 101 E HN 0.739 nan 8.360 nan 0.000 0.435 102 I N 0.726 121.316 120.570 0.033 0.000 2.863 102 I HA 0.485 4.655 4.170 -0.000 0.000 0.311 102 I C -0.714 175.491 176.117 0.147 0.000 1.026 102 I CA -0.935 60.418 61.300 0.089 0.000 1.077 102 I CB 1.816 39.863 38.000 0.078 0.000 1.262 102 I HN 0.556 nan 8.210 nan 0.000 0.461 103 Q N 2.426 122.361 119.800 0.224 0.000 2.553 103 Q HA 0.645 4.985 4.340 -0.000 0.000 0.293 103 Q C -0.480 175.701 176.000 0.302 0.000 1.038 103 Q CA -1.141 54.812 55.803 0.250 0.000 0.777 103 Q CB 1.491 30.338 28.738 0.182 0.000 1.487 103 Q HN 0.914 nan 8.270 nan 0.000 0.426 104 G N 0.491 109.408 108.800 0.196 0.000 2.432 104 G HA2 0.290 4.250 3.960 -0.000 0.000 0.239 104 G HA3 0.290 4.250 3.960 -0.000 0.000 0.239 104 G C -1.468 173.395 174.900 -0.061 0.000 1.291 104 G CA -0.251 44.790 45.100 -0.098 0.000 0.863 104 G HN 0.471 nan 8.290 nan 0.000 0.560 105 F N 2.275 122.031 119.950 -0.323 0.000 2.427 105 F HA 0.572 5.099 4.527 -0.000 0.000 0.346 105 F C 0.701 176.444 175.800 -0.095 0.000 1.120 105 F CA -0.951 56.905 58.000 -0.240 0.000 1.033 105 F CB 1.662 40.497 39.000 -0.275 0.000 1.126 105 F HN 0.552 nan 8.300 nan 0.000 0.462 106 G N 4.185 112.718 108.800 -0.445 0.000 2.508 106 G HA2 0.020 3.980 3.960 -0.000 0.000 0.301 106 G HA3 0.020 3.980 3.960 -0.000 0.000 0.301 106 G C 0.139 174.970 174.900 -0.115 0.000 0.965 106 G CA -0.333 44.655 45.100 -0.188 0.000 1.339 106 G HN 0.722 nan 8.290 nan 0.000 0.455 107 N N 0.713 119.512 118.700 0.166 0.000 2.230 107 N HA 0.069 4.809 4.740 -0.000 0.000 0.202 107 N C 0.247 175.896 175.510 0.231 0.000 1.119 107 N CA 0.052 53.314 53.050 0.353 0.000 0.851 107 N CB 0.376 39.130 38.487 0.445 0.000 0.990 107 N HN 0.644 nan 8.380 nan 0.000 0.497 108 Q N 0.151 120.008 119.800 0.095 0.000 2.295 108 Q HA 0.344 4.684 4.340 -0.000 0.000 0.268 108 Q C -2.134 173.852 176.000 -0.024 0.000 1.010 108 Q CA -0.698 55.104 55.803 -0.001 0.000 0.856 108 Q CB 1.140 29.876 28.738 -0.004 0.000 1.349 108 Q HN 0.010 nan 8.270 nan 0.000 0.412 109 N N 1.667 120.324 118.700 -0.072 0.000 2.478 109 N HA 0.374 5.114 4.740 -0.000 0.000 0.291 109 N C -0.391 175.150 175.510 0.050 0.000 1.090 109 N CA 0.360 53.418 53.050 0.013 0.000 0.911 109 N CB 2.040 40.573 38.487 0.076 0.000 1.546 109 N HN 0.669 nan 8.380 nan 0.000 0.500 110 A N 3.170 126.035 122.820 0.076 0.000 2.070 110 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 110 A C 1.318 179.039 177.584 0.228 0.000 1.159 110 A CA 1.269 53.391 52.037 0.141 0.000 0.656 110 A CB -0.302 18.753 19.000 0.092 0.000 0.800 110 A HN 0.838 nan 8.150 nan 0.000 0.453 111 N N -0.792 118.031 118.700 0.205 0.000 2.325 111 N HA 0.006 4.746 4.740 -0.000 0.000 0.182 111 N C 0.382 176.057 175.510 0.274 0.000 1.088 111 N CA 0.478 53.668 53.050 0.232 0.000 0.879 111 N CB 0.251 38.833 38.487 0.158 0.000 0.983 111 N HN 0.602 nan 8.380 nan 0.000 0.471 112 T N -1.007 113.718 114.554 0.286 0.000 2.788 112 T HA 0.243 4.593 4.350 -0.000 0.000 0.287 112 T C -0.134 174.867 174.700 0.501 0.000 1.007 112 T CA -0.222 62.041 62.100 0.272 0.000 1.005 112 T CB 0.588 69.669 68.868 0.355 0.000 1.012 112 T HN -0.185 nan 8.240 nan 0.000 0.530 113 F N 0.307 120.366 119.950 0.182 0.000 2.470 113 F HA 0.601 5.128 4.527 -0.000 0.000 0.329 113 F C 0.368 176.016 175.800 -0.254 0.000 1.072 113 F CA -2.103 55.855 58.000 -0.070 0.000 0.989 113 F CB 1.428 40.330 39.000 -0.163 0.000 1.193 113 F HN 0.657 nan 8.300 nan 0.000 0.481 114 V N 0.446 120.214 119.914 -0.244 0.000 2.732 114 V HA 0.689 4.808 4.120 -0.000 0.000 0.310 114 V C -0.746 175.019 176.094 -0.549 0.000 1.053 114 V CA -0.543 61.457 62.300 -0.499 0.000 0.957 114 V CB 1.897 33.394 31.823 -0.543 0.000 1.018 114 V HN 0.820 nan 8.190 nan 0.000 0.452 115 N N 2.141 120.313 118.700 -0.881 0.000 2.655 115 N HA 0.410 5.150 4.740 -0.000 0.000 0.277 115 N C -2.267 172.849 175.510 -0.656 0.000 1.177 115 N CA -0.182 52.519 53.050 -0.582 0.000 0.882 115 N CB 1.678 39.999 38.487 -0.277 0.000 1.481 115 N HN 0.796 nan 8.380 nan 0.000 0.547 116 Y N 0.226 120.478 120.300 -0.080 0.000 2.545 116 Y HA 0.407 4.957 4.550 -0.000 0.000 0.348 116 Y C 0.330 176.185 175.900 -0.075 0.000 1.002 116 Y CA -0.839 57.217 58.100 -0.074 0.000 1.039 116 Y CB 1.158 39.564 38.460 -0.091 0.000 1.271 116 Y HN 0.225 nan 8.280 nan 0.000 0.467 117 Q N 1.732 121.597 119.800 0.109 0.000 2.340 117 Q HA 0.602 4.942 4.340 -0.000 0.000 0.249 117 Q C -0.313 175.698 176.000 0.019 0.000 0.957 117 Q CA -0.200 55.623 55.803 0.035 0.000 0.882 117 Q CB 1.698 30.447 28.738 0.018 0.000 1.235 117 Q HN 0.881 nan 8.270 nan 0.000 0.439 118 S N -0.695 114.999 115.700 -0.010 0.000 2.615 118 S HA 0.157 4.627 4.470 -0.000 0.000 0.268 118 S C -0.917 173.664 174.600 -0.032 0.000 1.146 118 S CA -0.945 57.238 58.200 -0.028 0.000 0.818 118 S CB 1.027 64.201 63.200 -0.043 0.000 1.111 118 S HN 0.419 nan 8.310 nan 0.000 0.465 119 D N 1.551 121.930 120.400 -0.036 0.000 3.134 119 D HA 0.391 5.031 4.640 -0.000 0.000 0.248 119 D C 0.283 176.561 176.300 -0.037 0.000 1.273 119 D CA 0.395 54.375 54.000 -0.032 0.000 0.904 119 D CB -0.493 40.289 40.800 -0.029 0.000 1.089 119 D HN 0.778 nan 8.370 nan 0.000 0.478 120 T N -4.134 110.394 114.554 -0.043 0.000 2.838 120 T HA 0.306 4.656 4.350 -0.000 0.000 0.292 120 T C 1.143 175.817 174.700 -0.043 0.000 1.113 120 T CA -0.249 61.822 62.100 -0.049 0.000 1.008 120 T CB 1.116 69.938 68.868 -0.077 0.000 1.259 120 T HN -0.111 nan 8.240 nan 0.000 0.520 121 S N -0.016 115.664 115.700 -0.033 0.000 2.555 121 S HA 0.015 4.485 4.470 -0.000 0.000 0.230 121 S C 1.483 176.064 174.600 -0.031 0.000 0.978 121 S CA 0.207 58.397 58.200 -0.016 0.000 0.934 121 S CB -0.780 62.428 63.200 0.014 0.000 0.766 121 S HN 0.522 nan 8.310 nan 0.000 0.533 122 L N 1.823 122.993 121.223 -0.089 0.000 2.554 122 L HA 0.286 4.626 4.340 -0.000 0.000 0.226 122 L C 1.349 178.159 176.870 -0.099 0.000 1.137 122 L CA 0.296 55.050 54.840 -0.144 0.000 0.863 122 L CB -0.807 41.056 42.059 -0.327 0.000 0.985 122 L HN 0.248 nan 8.230 nan 0.000 0.451 123 S N 0.373 116.034 115.700 -0.065 0.000 2.546 123 S HA 0.291 4.761 4.470 -0.000 0.000 0.290 123 S C 1.458 176.031 174.600 -0.045 0.000 1.262 123 S CA 0.593 58.766 58.200 -0.043 0.000 1.083 123 S CB -0.257 62.924 63.200 -0.031 0.000 0.859 123 S HN 0.713 nan 8.310 nan 0.000 0.495 124 G N 3.316 112.086 108.800 -0.050 0.000 2.168 124 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.263 124 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.263 124 G C -0.020 174.831 174.900 -0.083 0.000 0.977 124 G CA 0.613 45.677 45.100 -0.060 0.000 0.659 124 G HN 0.824 nan 8.290 nan 0.000 0.533 125 Q N 0.686 120.428 119.800 -0.097 0.000 2.257 125 Q HA 0.599 4.938 4.340 -0.000 0.000 0.255 125 Q C -0.062 175.839 176.000 -0.165 0.000 0.920 125 Q CA -0.363 55.377 55.803 -0.104 0.000 0.927 125 Q CB 0.751 29.453 28.738 -0.059 0.000 1.229 125 Q HN 0.207 nan 8.270 nan 0.000 0.433 126 S N 2.274 117.844 115.700 -0.217 0.000 2.523 126 S HA 0.379 4.849 4.470 -0.000 0.000 0.275 126 S C -0.744 173.622 174.600 -0.390 0.000 1.281 126 S CA -0.565 57.426 58.200 -0.349 0.000 1.050 126 S CB 1.000 63.891 63.200 -0.515 0.000 0.937 126 S HN 0.464 nan 8.310 nan 0.000 0.492 127 V N 3.182 122.907 119.914 -0.315 0.000 2.709 127 V HA 0.427 4.547 4.120 -0.000 0.000 0.308 127 V C 0.480 176.495 176.094 -0.131 0.000 1.062 127 V CA -1.111 61.089 62.300 -0.167 0.000 0.901 127 V CB 2.072 33.901 31.823 0.011 0.000 1.003 127 V HN 0.985 nan 8.190 nan 0.000 0.425 128 T N 0.708 115.236 114.554 -0.044 0.000 2.900 128 T HA 0.171 4.521 4.350 -0.000 0.000 0.307 128 T C 0.926 175.715 174.700 0.149 0.000 1.065 128 T CA 0.240 62.437 62.100 0.161 0.000 1.105 128 T CB 0.383 69.373 68.868 0.203 0.000 0.979 128 T HN 0.480 nan 8.240 nan 0.000 0.544 129 Y N 1.700 122.112 120.300 0.186 0.000 2.165 129 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 129 Y C 2.958 178.876 175.900 0.031 0.000 1.155 129 Y CA 2.114 60.290 58.100 0.128 0.000 1.164 129 Y CB -0.253 38.270 38.460 0.105 0.000 0.978 129 Y HN 0.726 nan 8.280 nan 0.000 0.513 130 R N 0.083 120.704 120.500 0.202 0.000 2.092 130 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 130 R C 2.290 178.625 176.300 0.059 0.000 1.119 130 R CA 1.263 57.419 56.100 0.093 0.000 0.970 130 R CB -0.869 29.482 30.300 0.086 0.000 0.864 130 R HN 0.199 nan 8.270 nan 0.000 0.440 131 A N 1.678 124.548 122.820 0.083 0.000 1.873 131 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 131 A C 2.557 180.218 177.584 0.129 0.000 1.186 131 A CA 1.437 53.523 52.037 0.082 0.000 0.616 131 A CB -0.766 18.279 19.000 0.075 0.000 0.823 131 A HN 0.525 nan 8.150 nan 0.000 0.442 132 A N -0.189 122.727 122.820 0.160 0.000 1.902 132 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 132 A C 2.127 179.820 177.584 0.181 0.000 1.181 132 A CA 1.856 54.032 52.037 0.232 0.000 0.623 132 A CB -0.413 18.770 19.000 0.305 0.000 0.818 132 A HN 0.539 nan 8.150 nan 0.000 0.443 133 K N -0.414 119.943 120.400 -0.072 0.000 2.025 133 K HA -0.009 4.311 4.320 -0.000 0.000 0.207 133 K C 2.359 178.748 176.600 -0.352 0.000 1.049 133 K CA 1.040 57.010 56.287 -0.528 0.000 0.933 133 K CB -0.326 31.867 32.500 -0.512 0.000 0.714 133 K HN 0.423 nan 8.250 nan 0.000 0.438 134 A N 1.970 124.706 122.820 -0.140 0.000 1.908 134 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 134 A C 1.603 178.993 177.584 -0.324 0.000 1.181 134 A CA 2.080 54.036 52.037 -0.135 0.000 0.627 134 A CB -0.472 18.524 19.000 -0.007 0.000 0.818 134 A HN 0.188 nan 8.150 nan 0.000 0.445 135 D N -0.821 119.488 120.400 -0.152 0.000 2.117 135 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 135 D C 2.092 178.271 176.300 -0.203 0.000 0.982 135 D CA 1.793 55.687 54.000 -0.177 0.000 0.828 135 D CB -0.705 40.247 40.800 0.254 0.000 0.967 135 D HN 0.392 nan 8.370 nan 0.000 0.464 136 T N 0.600 115.097 114.554 -0.095 0.000 2.674 136 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 136 T C 1.664 176.351 174.700 -0.022 0.000 1.039 136 T CA 0.846 62.922 62.100 -0.039 0.000 1.150 136 T CB -0.353 68.488 68.868 -0.044 0.000 0.864 136 T HN 0.047 nan 8.240 nan 0.000 0.427 137 F N 1.487 121.423 119.950 -0.023 0.000 2.259 137 F HA 0.210 4.737 4.527 -0.000 0.000 0.298 137 F C 2.578 178.239 175.800 -0.232 0.000 1.088 137 F CA -0.001 57.963 58.000 -0.060 0.000 1.358 137 F CB -1.454 37.388 39.000 -0.264 0.000 1.040 137 F HN 0.206 nan 8.300 nan 0.000 0.505 138 G N -0.681 107.841 108.800 -0.462 0.000 2.459 138 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 138 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 138 G C 1.483 176.116 174.900 -0.446 0.000 1.183 138 G CA 0.845 45.395 45.100 -0.916 0.000 0.776 138 G HN 0.279 nan 8.290 nan 0.000 0.552 139 Y N -0.106 120.059 120.300 -0.226 0.000 2.242 139 Y HA 0.075 4.625 4.550 0.000 0.000 0.291 139 Y C 2.843 178.786 175.900 0.073 0.000 1.137 139 Y CA 1.058 59.170 58.100 0.019 0.000 1.181 139 Y CB -0.486 38.006 38.460 0.053 0.000 0.989 139 Y HN 0.172 nan 8.280 nan 0.000 0.527 140 M N -0.796 118.951 119.600 0.245 0.000 2.108 140 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 140 M C 2.093 178.526 176.300 0.222 0.000 1.066 140 M CA 2.063 57.511 55.300 0.248 0.000 1.107 140 M CB -0.143 32.658 32.600 0.336 0.000 1.356 140 M HN 0.133 nan 8.290 nan 0.000 0.406 141 S N 0.296 116.124 115.700 0.213 0.000 2.368 141 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 141 S C 1.669 176.358 174.600 0.148 0.000 1.029 141 S CA 1.635 59.945 58.200 0.183 0.000 0.988 141 S CB -0.417 62.878 63.200 0.159 0.000 0.838 141 S HN 0.605 nan 8.310 nan 0.000 0.462 142 E N 1.146 121.439 120.200 0.154 0.000 2.058 142 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 142 E C 1.976 178.667 176.600 0.151 0.000 0.997 142 E CA 1.037 57.535 56.400 0.164 0.000 0.801 142 E CB -0.191 29.647 29.700 0.229 0.000 0.746 142 E HN 0.426 nan 8.360 nan 0.000 0.450 143 L N 0.345 121.666 121.223 0.162 0.000 2.017 143 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 143 L C 2.696 179.631 176.870 0.109 0.000 1.073 143 L CA 0.577 55.494 54.840 0.129 0.000 0.745 143 L CB -0.391 41.744 42.059 0.128 0.000 0.894 143 L HN 0.277 nan 8.230 nan 0.000 0.432 144 L N 0.184 121.478 121.223 0.119 0.000 2.093 144 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 144 L C 2.506 179.431 176.870 0.093 0.000 1.085 144 L CA 1.742 56.644 54.840 0.103 0.000 0.755 144 L CB -0.621 41.507 42.059 0.116 0.000 0.904 144 L HN 0.133 nan 8.230 nan 0.000 0.435 145 K N -0.348 120.113 120.400 0.101 0.000 2.057 145 K HA -0.259 4.061 4.320 -0.000 0.000 0.207 145 K C 2.294 178.939 176.600 0.074 0.000 1.049 145 K CA 1.713 58.052 56.287 0.087 0.000 0.931 145 K CB -0.126 32.428 32.500 0.090 0.000 0.714 145 K HN 0.324 nan 8.250 nan 0.000 0.440 146 K N 0.215 120.662 120.400 0.078 0.000 2.009 146 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 146 K C 1.984 178.618 176.600 0.056 0.000 1.049 146 K CA 1.441 57.768 56.287 0.067 0.000 0.929 146 K CB -0.267 32.276 32.500 0.073 0.000 0.714 146 K HN 0.208 nan 8.250 nan 0.000 0.440 147 A N 0.593 123.448 122.820 0.058 0.000 1.908 147 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 147 A C 2.201 179.810 177.584 0.043 0.000 1.181 147 A CA 2.237 54.302 52.037 0.048 0.000 0.627 147 A CB -1.076 17.953 19.000 0.049 0.000 0.818 147 A HN 0.499 nan 8.150 nan 0.000 0.445 148 T N 0.240 114.823 114.554 0.048 0.000 2.674 148 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 148 T C 1.521 176.243 174.700 0.038 0.000 1.039 148 T CA 1.559 63.684 62.100 0.042 0.000 1.150 148 T CB -0.446 68.452 68.868 0.049 0.000 0.864 148 T HN 0.461 nan 8.240 nan 0.000 0.427 149 D N 1.214 121.639 120.400 0.041 0.000 2.178 149 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 149 D C 2.225 178.544 176.300 0.031 0.000 0.980 149 D CA 0.918 54.940 54.000 0.036 0.000 0.842 149 D CB -0.289 40.535 40.800 0.040 0.000 0.948 149 D HN 0.456 nan 8.370 nan 0.000 0.472 150 Q N -0.765 119.054 119.800 0.032 0.000 2.436 150 Q HA 0.085 4.425 4.340 -0.000 0.000 0.209 150 Q C 1.169 177.183 176.000 0.024 0.000 0.965 150 Q CA 0.800 56.620 55.803 0.028 0.000 0.910 150 Q CB 0.324 29.080 28.738 0.029 0.000 0.980 150 Q HN 0.366 nan 8.270 nan 0.000 0.491 151 G N -0.470 108.345 108.800 0.024 0.000 2.157 151 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.239 151 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.239 151 G C 0.780 175.692 174.900 0.019 0.000 0.982 151 G CA 0.254 45.366 45.100 0.020 0.000 0.650 151 G HN 0.438 nan 8.290 nan 0.000 0.527 152 A N -0.414 122.419 122.820 0.022 0.000 2.070 152 A HA 0.387 4.707 4.320 -0.000 0.000 0.220 152 A C 1.985 179.580 177.584 0.019 0.000 1.159 152 A CA 1.660 53.709 52.037 0.021 0.000 0.656 152 A CB -0.167 18.848 19.000 0.025 0.000 0.800 152 A HN 0.938 nan 8.150 nan 0.000 0.453 153 L N -0.817 120.418 121.223 0.019 0.000 2.910 153 L HA 0.153 4.492 4.340 -0.000 0.000 0.252 153 L C 0.517 177.394 176.870 0.012 0.000 1.195 153 L CA -0.246 54.604 54.840 0.016 0.000 1.003 153 L CB 0.205 42.275 42.059 0.018 0.000 1.328 153 L HN 0.074 nan 8.230 nan 0.000 0.540 154 D N 0.485 120.892 120.400 0.012 0.000 2.263 154 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 154 D C 1.983 178.287 176.300 0.007 0.000 0.971 154 D CA 1.101 55.107 54.000 0.010 0.000 0.867 154 D CB 0.212 41.018 40.800 0.010 0.000 0.929 154 D HN 0.392 nan 8.370 nan 0.000 0.492 155 Q N -0.212 119.591 119.800 0.006 0.000 2.378 155 Q HA -0.018 4.322 4.340 -0.000 0.000 0.205 155 Q C 1.827 177.827 176.000 0.001 0.000 0.954 155 Q CA 0.703 56.508 55.803 0.004 0.000 0.901 155 Q CB 0.693 29.433 28.738 0.004 0.000 0.981 155 Q HN 0.351 nan 8.270 nan 0.000 0.483 156 V N -3.915 116.000 119.914 0.001 0.000 3.604 156 V HA 0.317 4.437 4.120 -0.000 0.000 0.277 156 V C 0.409 176.500 176.094 -0.004 0.000 1.399 156 V CA -0.073 62.225 62.300 -0.003 0.000 1.034 156 V CB 0.288 32.109 31.823 -0.003 0.000 0.824 156 V HN -0.017 nan 8.190 nan 0.000 0.439 157 L N 2.369 123.592 121.223 -0.001 0.000 2.381 157 L HA 0.672 5.012 4.340 -0.000 0.000 0.274 157 L C 0.412 177.283 176.870 0.002 0.000 0.988 157 L CA -0.385 54.454 54.840 -0.001 0.000 0.824 157 L CB 2.239 44.300 42.059 0.003 0.000 1.263 157 L HN 0.320 nan 8.230 nan 0.000 0.410 158 S N 2.165 117.865 115.700 -0.001 0.000 2.617 158 S HA 0.212 4.682 4.470 -0.000 0.000 0.259 158 S C 1.104 175.707 174.600 0.005 0.000 1.301 158 S CA -0.344 57.857 58.200 0.001 0.000 0.984 158 S CB 1.254 64.453 63.200 -0.001 0.000 0.954 158 S HN 0.769 nan 8.310 nan 0.000 0.572 159 R N 0.563 121.067 120.500 0.006 0.000 2.103 159 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 159 R C 1.855 178.161 176.300 0.010 0.000 1.142 159 R CA 2.170 58.275 56.100 0.010 0.000 0.960 159 R CB -0.540 29.765 30.300 0.009 0.000 0.858 159 R HN 0.820 nan 8.270 nan 0.000 0.439 160 E N 0.360 120.564 120.200 0.007 0.000 2.106 160 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 160 E C 1.627 178.231 176.600 0.006 0.000 0.984 160 E CA 1.469 57.873 56.400 0.007 0.000 0.806 160 E CB -0.096 29.606 29.700 0.003 0.000 0.750 160 E HN 0.400 nan 8.360 nan 0.000 0.458 161 D N 0.623 121.024 120.400 0.002 0.000 2.097 161 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 161 D C 1.641 177.946 176.300 0.008 0.000 0.989 161 D CA 1.079 55.078 54.000 -0.002 0.000 0.827 161 D CB -0.146 40.650 40.800 -0.007 0.000 0.966 161 D HN 0.132 nan 8.370 nan 0.000 0.456 162 K N 0.414 120.823 120.400 0.014 0.000 2.057 162 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 162 K C 1.656 178.277 176.600 0.034 0.000 1.049 162 K CA 1.192 57.493 56.287 0.025 0.000 0.931 162 K CB 0.030 32.544 32.500 0.023 0.000 0.714 162 K HN 0.055 nan 8.250 nan 0.000 0.440 163 D N 0.544 120.961 120.400 0.029 0.000 2.117 163 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 163 D C 1.851 178.177 176.300 0.044 0.000 0.987 163 D CA 1.353 55.374 54.000 0.034 0.000 0.829 163 D CB -0.235 40.581 40.800 0.026 0.000 0.961 163 D HN 0.213 nan 8.370 nan 0.000 0.460 164 A N 0.685 123.527 122.820 0.036 0.000 1.898 164 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 164 A C 2.142 179.770 177.584 0.074 0.000 1.181 164 A CA 0.985 53.048 52.037 0.043 0.000 0.620 164 A CB -0.716 18.293 19.000 0.015 0.000 0.819 164 A HN 0.240 nan 8.150 nan 0.000 0.442 165 L N 0.055 121.315 121.223 0.061 0.000 2.046 165 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 165 L C 2.486 179.449 176.870 0.156 0.000 1.077 165 L CA 2.605 57.504 54.840 0.097 0.000 0.747 165 L CB -0.758 41.335 42.059 0.056 0.000 0.896 165 L HN 0.287 nan 8.230 nan 0.000 0.432 166 S N -0.558 115.205 115.700 0.106 0.000 2.370 166 S HA -0.259 4.211 4.470 -0.000 0.000 0.226 166 S C 1.869 176.529 174.600 0.100 0.000 1.033 166 S CA 1.521 59.778 58.200 0.096 0.000 1.011 166 S CB -0.375 62.865 63.200 0.068 0.000 0.852 166 S HN 0.619 nan 8.310 nan 0.000 0.457 167 E N 0.187 120.448 120.200 0.102 0.000 2.051 167 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 167 E C 1.880 178.552 176.600 0.120 0.000 0.991 167 E CA 1.161 57.618 56.400 0.095 0.000 0.799 167 E CB -0.223 29.531 29.700 0.089 0.000 0.748 167 E HN 0.528 nan 8.360 nan 0.000 0.449 168 F N 1.275 121.243 119.950 0.030 0.000 2.102 168 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 168 F C 1.880 177.730 175.800 0.085 0.000 1.105 168 F CA 1.397 59.418 58.000 0.036 0.000 1.239 168 F CB -0.203 38.787 39.000 -0.016 0.000 0.991 168 F HN 0.003 nan 8.300 nan 0.000 0.474 169 L N -0.618 120.617 121.223 0.020 0.000 2.093 169 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 169 L C 2.543 179.391 176.870 -0.036 0.000 1.085 169 L CA 1.320 56.143 54.840 -0.028 0.000 0.755 169 L CB -0.948 41.181 42.059 0.117 0.000 0.904 169 L HN 0.099 nan 8.230 nan 0.000 0.435 170 S N -0.381 115.316 115.700 -0.005 0.000 2.368 170 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 170 S C 1.588 176.169 174.600 -0.032 0.000 1.030 170 S CA 1.652 59.854 58.200 0.003 0.000 0.999 170 S CB -0.246 62.967 63.200 0.022 0.000 0.844 170 S HN 0.504 nan 8.310 nan 0.000 0.459 171 D N 0.671 121.029 120.400 -0.069 0.000 2.084 171 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 171 D C 1.719 177.939 176.300 -0.133 0.000 0.985 171 D CA 0.966 54.917 54.000 -0.081 0.000 0.826 171 D CB -0.400 40.364 40.800 -0.061 0.000 0.978 171 D HN 0.284 nan 8.370 nan 0.000 0.456 172 F N 0.600 120.271 119.950 -0.465 0.000 2.161 172 F HA 0.053 4.580 4.527 -0.000 0.000 0.300 172 F C 2.140 177.799 175.800 -0.234 0.000 1.089 172 F CA 1.998 59.705 58.000 -0.488 0.000 1.282 172 F CB -0.286 38.123 39.000 -0.985 0.000 1.010 172 F HN 0.086 nan 8.300 nan 0.000 0.485 173 G N -1.354 107.359 108.800 -0.144 0.000 3.042 173 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.212 173 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.212 173 G C -0.053 174.809 174.900 -0.063 0.000 1.166 173 G CA 0.537 45.557 45.100 -0.132 0.000 0.767 173 G HN 0.322 nan 8.290 nan 0.000 0.546 174 D N -0.326 120.047 120.400 -0.045 0.000 2.697 174 D HA -0.160 4.480 4.640 -0.000 0.000 0.238 174 D C 0.478 176.824 176.300 0.076 0.000 1.152 174 D CA 0.310 54.320 54.000 0.016 0.000 0.666 174 D CB -1.447 39.370 40.800 0.028 0.000 1.037 174 D HN 0.286 nan 8.370 nan 0.000 0.423 175 L N 0.199 121.458 121.223 0.060 0.000 2.453 175 L HA 0.281 4.621 4.340 -0.000 0.000 0.261 175 L C 1.622 178.513 176.870 0.034 0.000 1.179 175 L CA -0.390 54.495 54.840 0.075 0.000 0.813 175 L CB 0.876 42.978 42.059 0.071 0.000 1.110 175 L HN 0.257 nan 8.230 nan 0.000 0.466 176 S N -0.387 115.326 115.700 0.022 0.000 2.596 176 S HA 0.002 4.472 4.470 -0.000 0.000 0.260 176 S C 0.626 175.234 174.600 0.013 0.000 1.336 176 S CA -0.553 57.649 58.200 0.003 0.000 0.993 176 S CB 0.716 63.912 63.200 -0.008 0.000 0.923 176 S HN 0.605 nan 8.310 nan 0.000 0.567 177 D N 1.101 121.505 120.400 0.006 0.000 2.182 177 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 177 D C 1.118 177.428 176.300 0.017 0.000 0.986 177 D CA 1.675 55.682 54.000 0.011 0.000 0.847 177 D CB -0.428 40.375 40.800 0.005 0.000 0.942 177 D HN 0.865 nan 8.370 nan 0.000 0.467 178 D N -1.394 119.016 120.400 0.018 0.000 2.325 178 D HA 0.188 4.828 4.640 -0.000 0.000 0.225 178 D C 1.268 177.590 176.300 0.037 0.000 1.096 178 D CA 0.388 54.403 54.000 0.025 0.000 0.844 178 D CB -0.136 40.676 40.800 0.020 0.000 0.925 178 D HN 0.163 nan 8.370 nan 0.000 0.513 179 G N 0.348 109.174 108.800 0.042 0.000 2.132 179 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.234 179 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.234 179 G C 0.038 174.986 174.900 0.079 0.000 0.989 179 G CA -0.331 44.804 45.100 0.059 0.000 0.676 179 G HN 0.437 nan 8.290 nan 0.000 0.522 180 R N -0.884 119.659 120.500 0.073 0.000 2.604 180 R HA 0.503 4.843 4.340 -0.000 0.000 0.287 180 R C -0.689 175.674 176.300 0.105 0.000 0.970 180 R CA -0.961 55.198 56.100 0.098 0.000 0.946 180 R CB 1.370 31.711 30.300 0.067 0.000 1.127 180 R HN 0.180 nan 8.270 nan 0.000 0.473 181 Y N 3.326 123.621 120.300 -0.008 0.000 2.404 181 Y HA 0.168 4.717 4.550 -0.000 0.000 0.344 181 Y C 0.103 175.940 175.900 -0.105 0.000 0.995 181 Y CA -0.207 57.818 58.100 -0.125 0.000 1.201 181 Y CB 0.390 38.648 38.460 -0.338 0.000 1.151 181 Y HN 0.519 nan 8.280 nan 0.000 0.517 182 L N 6.111 126.952 121.223 -0.638 0.000 2.959 182 L HA 0.469 4.809 4.340 -0.000 0.000 0.259 182 L C 0.767 177.233 176.870 -0.673 0.000 1.185 182 L CA 0.213 54.750 54.840 -0.506 0.000 0.998 182 L CB -0.247 41.669 42.059 -0.239 0.000 1.337 182 L HN 0.958 nan 8.230 nan 0.000 0.555 183 G N 0.105 108.138 108.800 -1.277 0.000 2.525 183 G HA2 0.025 3.985 3.960 -0.000 0.000 0.685 183 G HA3 0.025 3.985 3.960 -0.000 0.000 0.685 183 G C -0.874 173.823 174.900 -0.337 0.000 1.290 183 G CA -0.162 44.503 45.100 -0.726 0.000 0.915 183 G HN 0.113 nan 8.290 nan 0.000 0.548 184 S N -1.885 113.728 115.700 -0.144 0.000 2.558 184 S HA 0.655 5.125 4.470 -0.000 0.000 0.277 184 S C 1.290 175.817 174.600 -0.122 0.000 1.143 184 S CA 0.813 58.976 58.200 -0.061 0.000 0.865 184 S CB 0.999 64.242 63.200 0.070 0.000 1.102 184 S HN 2.417 nan 8.310 nan 0.000 0.454 185 S N 3.307 118.937 115.700 -0.115 0.000 2.440 185 S HA -0.120 4.350 4.470 -0.000 0.000 0.238 185 S C 1.507 176.042 174.600 -0.108 0.000 1.010 185 S CA 0.920 59.019 58.200 -0.170 0.000 0.972 185 S CB -0.456 62.760 63.200 0.026 0.000 0.774 185 S HN 0.751 nan 8.310 nan 0.000 0.501 186 R N 1.101 121.574 120.500 -0.044 0.000 2.193 186 R HA 0.102 4.442 4.340 -0.000 0.000 0.229 186 R C 2.462 178.748 176.300 -0.023 0.000 1.110 186 R CA 1.145 57.236 56.100 -0.015 0.000 0.988 186 R CB -0.275 30.017 30.300 -0.014 0.000 0.871 186 R HN 0.493 nan 8.270 nan 0.000 0.458 187 R N 0.310 120.772 120.500 -0.063 0.000 2.235 187 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 187 R C 0.963 177.217 176.300 -0.076 0.000 1.059 187 R CA 0.591 56.657 56.100 -0.057 0.000 0.997 187 R CB -0.015 30.235 30.300 -0.082 0.000 0.884 187 R HN 0.323 nan 8.270 nan 0.000 0.462 188 G N -0.097 108.619 108.800 -0.141 0.000 2.660 188 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.247 188 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.247 188 G C -1.245 173.471 174.900 -0.306 0.000 1.328 188 G CA -0.783 44.272 45.100 -0.074 0.000 0.884 188 G HN 0.207 nan 8.290 nan 0.000 0.531 189 Y N -0.445 119.864 120.300 0.014 0.000 2.442 189 Y HA 0.511 5.061 4.550 -0.000 0.000 0.344 189 Y C 1.008 176.912 175.900 0.007 0.000 0.976 189 Y CA 0.003 58.108 58.100 0.008 0.000 1.040 189 Y CB 2.316 40.785 38.460 0.016 0.000 1.228 189 Y HN 0.764 nan 8.280 nan 0.000 0.451 190 D N 0.732 121.207 120.400 0.126 0.000 2.117 190 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 190 D C 0.274 176.631 176.300 0.094 0.000 0.982 190 D CA 1.209 55.256 54.000 0.078 0.000 0.828 190 D CB 0.378 41.198 40.800 0.033 0.000 0.967 190 D HN 0.259 nan 8.370 nan 0.000 0.464 191 S N -0.554 115.219 115.700 0.122 0.000 2.478 191 S HA 0.316 4.786 4.470 -0.000 0.000 0.312 191 S C -1.010 173.634 174.600 0.073 0.000 1.094 191 S CA -0.757 57.492 58.200 0.081 0.000 1.081 191 S CB 1.396 64.628 63.200 0.055 0.000 1.007 191 S HN 0.146 nan 8.310 nan 0.000 0.475 192 E N 4.684 124.888 120.200 0.006 0.000 2.366 192 E HA 0.296 4.646 4.350 -0.000 0.000 0.266 192 E C -2.427 174.065 176.600 -0.179 0.000 1.015 192 E CA -1.466 54.874 56.400 -0.100 0.000 0.906 192 E CB 0.459 30.122 29.700 -0.061 0.000 0.979 192 E HN 0.285 nan 8.360 nan 0.000 0.443 193 P HA 0.102 nan 4.420 nan 0.000 0.262 193 P C -0.332 176.873 177.300 -0.159 0.000 1.182 193 P CA 0.247 63.195 63.100 -0.254 0.000 0.761 193 P CB 1.181 32.660 31.700 -0.368 0.000 0.795 194 G N 1.407 110.136 108.800 -0.118 0.000 3.302 194 G HA2 0.694 4.654 3.960 -0.000 0.000 0.170 194 G HA3 0.694 4.654 3.960 -0.000 0.000 0.170 194 G C -1.046 173.795 174.900 -0.098 0.000 1.119 194 G CA -0.268 44.772 45.100 -0.100 0.000 0.826 194 G HN 0.602 nan 8.290 nan 0.000 0.646 195 A N -1.901 120.859 122.820 -0.100 0.000 2.256 195 A HA 0.775 5.095 4.320 -0.000 0.000 0.318 195 A C 1.209 178.709 177.584 -0.140 0.000 1.103 195 A CA 0.892 52.873 52.037 -0.094 0.000 0.860 195 A CB 0.258 19.215 19.000 -0.071 0.000 1.182 195 A HN 2.540 nan 8.150 nan 0.000 0.501 196 G N -0.768 107.959 108.800 -0.121 0.000 2.622 196 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.307 196 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.307 196 G C 0.572 175.284 174.900 -0.314 0.000 1.226 196 G CA 0.680 45.688 45.100 -0.153 0.000 0.997 196 G HN 1.245 nan 8.290 nan 0.000 0.551 197 L N 1.330 122.301 121.223 -0.419 0.000 2.629 197 L HA 0.240 4.580 4.340 -0.000 0.000 0.230 197 L C 1.102 177.346 176.870 -1.043 0.000 1.151 197 L CA 0.095 54.410 54.840 -0.875 0.000 0.924 197 L CB -0.225 41.567 42.059 -0.444 0.000 1.137 197 L HN 0.388 nan 8.230 nan 0.000 0.457 198 N N 0.487 118.828 118.700 -0.600 0.000 2.895 198 N HA 0.030 4.770 4.740 -0.000 0.000 0.277 198 N C 0.695 176.026 175.510 -0.299 0.000 1.185 198 N CA -0.114 52.716 53.050 -0.367 0.000 1.106 198 N CB 0.016 38.382 38.487 -0.201 0.000 1.422 198 N HN 0.014 nan 8.380 nan 0.000 0.521 199 F N 0.967 120.902 119.950 -0.025 0.000 2.502 199 F HA 0.211 4.738 4.527 -0.000 0.000 0.298 199 F C 1.996 177.774 175.800 -0.036 0.000 1.111 199 F CA 0.680 58.665 58.000 -0.025 0.000 1.445 199 F CB -0.777 38.225 39.000 0.004 0.000 1.081 199 F HN 0.418 nan 8.300 nan 0.000 0.558 200 G N 0.203 109.071 108.800 0.114 0.000 2.829 200 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.628 200 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.628 200 G C -0.348 174.690 174.900 0.230 0.000 1.412 200 G CA -0.504 44.655 45.100 0.098 0.000 0.864 200 G HN 0.539 nan 8.290 nan 0.000 0.544 201 T N -1.750 112.979 114.554 0.291 0.000 2.906 201 T HA 0.650 5.000 4.350 -0.000 0.000 0.302 201 T C -0.233 174.583 174.700 0.194 0.000 1.002 201 T CA -0.427 61.799 62.100 0.209 0.000 0.988 201 T CB 1.897 70.830 68.868 0.110 0.000 0.972 201 T HN 0.719 nan 8.240 nan 0.000 0.447 202 E N 2.355 122.574 120.200 0.031 0.000 2.413 202 E HA 0.097 4.447 4.350 -0.000 0.000 0.263 202 E C 0.037 176.520 176.600 -0.195 0.000 1.015 202 E CA -0.164 56.054 56.400 -0.303 0.000 0.916 202 E CB 0.756 30.272 29.700 -0.306 0.000 0.947 202 E HN 0.501 nan 8.360 nan 0.000 0.440 203 K N 3.164 123.422 120.400 -0.236 0.000 2.368 203 K HA 0.090 4.410 4.320 -0.000 0.000 0.282 203 K C -0.115 176.370 176.600 -0.192 0.000 1.035 203 K CA 0.152 56.334 56.287 -0.174 0.000 0.973 203 K CB 0.636 33.043 32.500 -0.156 0.000 0.957 203 K HN 0.219 nan 8.250 nan 0.000 0.474 204 K N 3.804 124.091 120.400 -0.190 0.000 2.185 204 K HA 0.197 4.517 4.320 -0.000 0.000 0.271 204 K C -2.103 174.354 176.600 -0.239 0.000 1.013 204 K CA -1.652 54.520 56.287 -0.192 0.000 0.943 204 K CB 0.413 32.818 32.500 -0.159 0.000 0.998 204 K HN 0.415 nan 8.250 nan 0.000 0.468 205 P HA 0.083 nan 4.420 nan 0.000 0.274 205 P C -0.672 176.584 177.300 -0.074 0.000 1.231 205 P CA -0.208 62.837 63.100 -0.091 0.000 0.790 205 P CB 0.434 32.108 31.700 -0.042 0.000 0.951 206 F N 0.491 120.528 119.950 0.144 0.000 2.440 206 F HA 0.331 4.857 4.527 -0.000 0.000 0.323 206 F C 1.511 177.460 175.800 0.249 0.000 1.192 206 F CA 0.024 58.113 58.000 0.148 0.000 1.252 206 F CB -0.107 38.969 39.000 0.126 0.000 1.214 206 F HN 0.326 nan 8.300 nan 0.000 0.578 207 A N 2.467 125.498 122.820 0.352 0.000 2.351 207 A HA 0.271 4.591 4.320 -0.000 0.000 0.257 207 A C 1.280 178.813 177.584 -0.085 0.000 1.087 207 A CA -0.530 51.602 52.037 0.157 0.000 0.798 207 A CB 0.244 19.285 19.000 0.068 0.000 1.033 207 A HN 1.022 nan 8.150 nan 0.000 0.488 208 M N 0.296 119.522 119.600 -0.622 0.000 2.082 208 M HA -0.264 4.216 4.480 -0.000 0.000 0.258 208 M C 1.982 178.080 176.300 -0.336 0.000 1.069 208 M CA 2.227 56.963 55.300 -0.941 0.000 1.102 208 M CB -0.255 31.761 32.600 -0.973 0.000 1.336 208 M HN 0.943 nan 8.290 nan 0.000 0.404 209 Q N 0.287 119.965 119.800 -0.203 0.000 2.084 209 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 209 Q C 1.771 177.718 176.000 -0.089 0.000 0.978 209 Q CA 2.190 57.925 55.803 -0.113 0.000 0.844 209 Q CB -0.148 28.546 28.738 -0.075 0.000 0.898 209 Q HN 0.616 nan 8.270 nan 0.000 0.426 210 E N -0.686 119.473 120.200 -0.067 0.000 2.058 210 E HA -0.182 4.167 4.350 -0.000 0.000 0.194 210 E C 1.984 178.504 176.600 -0.133 0.000 0.997 210 E CA 1.468 57.819 56.400 -0.082 0.000 0.801 210 E CB -0.037 29.649 29.700 -0.023 0.000 0.746 210 E HN 0.146 nan 8.360 nan 0.000 0.450 211 V N 1.450 121.318 119.914 -0.078 0.000 2.261 211 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 211 V C 2.276 178.323 176.094 -0.078 0.000 1.047 211 V CA 1.678 63.945 62.300 -0.055 0.000 1.015 211 V CB -0.399 31.491 31.823 0.113 0.000 0.642 211 V HN 0.262 nan 8.190 nan 0.000 0.446 212 I N -0.481 120.046 120.570 -0.071 0.000 2.179 212 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 212 I C 2.676 178.745 176.117 -0.079 0.000 1.088 212 I CA 1.638 62.899 61.300 -0.066 0.000 1.357 212 I CB -0.381 37.585 38.000 -0.057 0.000 1.051 212 I HN 0.196 nan 8.210 nan 0.000 0.409 213 R N 0.431 120.881 120.500 -0.082 0.000 2.236 213 R HA -0.056 4.284 4.340 -0.000 0.000 0.208 213 R C 2.333 178.580 176.300 -0.089 0.000 1.036 213 R CA 1.293 57.347 56.100 -0.077 0.000 1.001 213 R CB -0.191 30.069 30.300 -0.066 0.000 0.896 213 R HN 0.433 nan 8.270 nan 0.000 0.464 214 S N -0.463 115.170 115.700 -0.112 0.000 2.496 214 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 214 S C 1.495 176.028 174.600 -0.111 0.000 0.996 214 S CA 0.390 58.520 58.200 -0.115 0.000 0.927 214 S CB 0.254 63.351 63.200 -0.172 0.000 0.774 214 S HN 0.424 nan 8.310 nan 0.000 0.524 215 G N 1.596 110.311 108.800 -0.142 0.000 2.283 215 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.280 215 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.280 215 G C 0.365 175.107 174.900 -0.263 0.000 1.029 215 G CA 0.499 45.474 45.100 -0.209 0.000 0.840 215 G HN 0.649 nan 8.290 nan 0.000 0.505 216 I N -0.227 120.241 120.570 -0.169 0.000 2.756 216 I HA 0.060 4.230 4.170 -0.000 0.000 0.262 216 I C 2.213 178.122 176.117 -0.348 0.000 1.225 216 I CA 1.591 62.844 61.300 -0.079 0.000 1.472 216 I CB -0.030 37.923 38.000 -0.079 0.000 1.094 216 I HN 0.253 nan 8.210 nan 0.000 0.454 217 G N 0.709 109.116 108.800 -0.654 0.000 3.189 217 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.225 217 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.225 217 G C 1.480 175.830 174.900 -0.916 0.000 1.159 217 G CA -0.105 44.084 45.100 -1.518 0.000 0.763 217 G HN 0.471 nan 8.290 nan 0.000 0.549 218 R N -0.032 120.147 120.500 -0.535 0.000 2.193 218 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 218 R C 1.538 177.742 176.300 -0.160 0.000 1.110 218 R CA 1.504 57.403 56.100 -0.335 0.000 0.988 218 R CB -0.297 29.741 30.300 -0.436 0.000 0.871 218 R HN 0.223 nan 8.270 nan 0.000 0.458 219 N N -0.555 118.104 118.700 -0.069 0.000 2.236 219 N HA 0.060 4.800 4.740 -0.000 0.000 0.196 219 N C 0.428 176.180 175.510 0.404 0.000 1.114 219 N CA -0.042 53.130 53.050 0.203 0.000 0.859 219 N CB 0.143 38.824 38.487 0.323 0.000 0.982 219 N HN 0.059 nan 8.380 nan 0.000 0.493 220 F N 0.797 120.862 119.950 0.192 0.000 2.171 220 F HA -0.082 4.445 4.527 0.000 0.000 0.300 220 F C 2.585 178.350 175.800 -0.058 0.000 1.090 220 F CA 0.896 58.979 58.000 0.138 0.000 1.293 220 F CB -1.302 37.800 39.000 0.168 0.000 1.013 220 F HN 0.114 nan 8.300 nan 0.000 0.486 221 S N -0.228 115.586 115.700 0.190 0.000 2.507 221 S HA -0.218 4.252 4.470 -0.000 0.000 0.235 221 S C 1.964 176.598 174.600 0.058 0.000 0.988 221 S CA 0.311 58.536 58.200 0.042 0.000 0.944 221 S CB -1.562 61.796 63.200 0.264 0.000 0.762 221 S HN 0.321 nan 8.310 nan 0.000 0.526 222 F N 3.364 123.335 119.950 0.035 0.000 2.154 222 F HA -0.165 4.362 4.527 -0.000 0.000 0.301 222 F C 1.484 177.289 175.800 0.009 0.000 1.087 222 F CA 1.979 60.018 58.000 0.066 0.000 1.274 222 F CB -0.493 38.575 39.000 0.114 0.000 1.009 222 F HN 0.141 nan 8.300 nan 0.000 0.485 223 D N -0.168 120.208 120.400 -0.041 0.000 2.265 223 D HA -0.174 4.466 4.640 -0.000 0.000 0.208 223 D C 1.737 177.979 176.300 -0.098 0.000 0.977 223 D CA 1.188 55.105 54.000 -0.139 0.000 0.871 223 D CB -0.413 40.248 40.800 -0.231 0.000 0.925 223 D HN 0.328 nan 8.370 nan 0.000 0.485 224 F N 0.424 120.386 119.950 0.019 0.000 2.776 224 F HA 0.283 4.810 4.527 -0.000 0.000 0.300 224 F C 1.822 177.601 175.800 -0.035 0.000 1.116 224 F CA -0.725 57.281 58.000 0.011 0.000 1.375 224 F CB -0.786 38.250 39.000 0.061 0.000 1.109 224 F HN -0.254 nan 8.300 nan 0.000 0.585 225 G N -0.429 108.382 108.800 0.019 0.000 2.321 225 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.237 225 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.237 225 G C 0.663 175.549 174.900 -0.023 0.000 1.282 225 G CA -0.143 44.940 45.100 -0.029 0.000 0.886 225 G HN 0.325 nan 8.290 nan 0.000 0.528 226 Y N 1.153 121.399 120.300 -0.089 0.000 2.151 226 Y HA -0.177 4.373 4.550 -0.000 0.000 0.284 226 Y C 2.019 177.777 175.900 -0.237 0.000 1.166 226 Y CA 2.319 60.342 58.100 -0.129 0.000 1.163 226 Y CB 0.347 38.737 38.460 -0.116 0.000 0.974 226 Y HN 0.529 nan 8.280 nan 0.000 0.511 227 D N -0.882 119.286 120.400 -0.386 0.000 2.339 227 D HA -0.033 4.607 4.640 -0.000 0.000 0.217 227 D C 1.282 177.281 176.300 -0.502 0.000 1.050 227 D CA 0.422 53.989 54.000 -0.723 0.000 0.856 227 D CB 0.299 40.507 40.800 -0.985 0.000 0.922 227 D HN 0.518 nan 8.370 nan 0.000 0.518 228 Q N -0.245 119.357 119.800 -0.330 0.000 2.288 228 Q HA 0.227 4.567 4.340 -0.000 0.000 0.256 228 Q C 0.648 176.520 176.000 -0.214 0.000 0.835 228 Q CA 0.004 55.643 55.803 -0.274 0.000 0.958 228 Q CB 0.714 29.080 28.738 -0.619 0.000 1.125 228 Q HN 0.071 nan 8.270 nan 0.000 0.513 229 A N 2.241 124.947 122.820 -0.190 0.000 2.531 229 A HA 0.173 4.493 4.320 -0.000 0.000 0.236 229 A C 0.618 178.162 177.584 -0.068 0.000 1.062 229 A CA 0.061 52.047 52.037 -0.084 0.000 0.760 229 A CB 0.083 19.069 19.000 -0.024 0.000 0.995 229 A HN 0.120 nan 8.150 nan 0.000 0.501 230 M N 2.400 121.989 119.600 -0.017 0.000 2.252 230 M HA 0.108 4.588 4.480 -0.000 0.000 0.333 230 M C 0.311 176.605 176.300 -0.011 0.000 1.111 230 M CA 0.516 55.802 55.300 -0.023 0.000 1.140 230 M CB 0.066 32.664 32.600 -0.003 0.000 1.538 230 M HN 0.569 nan 8.290 nan 0.000 0.448 231 M N 3.027 122.628 119.600 0.002 0.000 2.235 231 M HA 0.397 4.877 4.480 -0.000 0.000 0.351 231 M C -0.212 175.988 176.300 -0.167 0.000 1.178 231 M CA 0.117 55.367 55.300 -0.082 0.000 1.143 231 M CB 1.025 33.652 32.600 0.045 0.000 1.530 231 M HN 0.508 nan 8.290 nan 0.000 0.461 232 M N 2.401 121.754 119.600 -0.411 0.000 2.664 232 M HA 0.622 5.102 4.480 -0.000 0.000 0.314 232 M C -1.101 174.704 176.300 -0.825 0.000 1.200 232 M CA -0.347 54.751 55.300 -0.337 0.000 0.916 232 M CB 1.973 34.537 32.600 -0.060 0.000 1.717 232 M HN 0.469 nan 8.290 nan 0.000 0.470 233 F N -0.751 119.222 119.950 0.038 0.000 2.629 233 F HA 0.734 5.261 4.527 -0.000 0.000 0.316 233 F C 0.195 175.998 175.800 0.004 0.000 1.081 233 F CA -0.593 57.432 58.000 0.041 0.000 0.954 233 F CB 2.254 41.262 39.000 0.014 0.000 1.337 233 F HN 0.472 nan 8.300 nan 0.000 0.474 234 T N 1.432 116.093 114.554 0.177 0.000 2.942 234 T HA 0.485 4.835 4.350 -0.000 0.000 0.327 234 T C -3.136 171.632 174.700 0.112 0.000 1.360 234 T CA -1.831 60.315 62.100 0.077 0.000 1.055 234 T CB 1.998 70.820 68.868 -0.078 0.000 1.261 234 T HN 0.129 nan 8.240 nan 0.000 0.485 235 P HA 0.236 nan 4.420 nan 0.000 0.271 235 P C -0.559 176.816 177.300 0.124 0.000 1.216 235 P CA -0.387 62.766 63.100 0.089 0.000 0.771 235 P CB 0.403 32.131 31.700 0.047 0.000 0.864 236 V N 3.663 123.639 119.914 0.103 0.000 2.540 236 V HA 0.220 4.340 4.120 -0.000 0.000 0.297 236 V C 1.660 177.779 176.094 0.040 0.000 1.024 236 V CA 1.786 64.157 62.300 0.118 0.000 1.105 236 V CB -0.573 31.291 31.823 0.067 0.000 0.938 236 V HN 1.035 nan 8.190 nan 0.000 0.482 237 G N 3.212 112.048 108.800 0.061 0.000 2.159 237 G HA2 0.181 4.141 3.960 -0.000 0.000 0.256 237 G HA3 0.181 4.141 3.960 -0.000 0.000 0.256 237 G C 0.653 175.037 174.900 -0.861 0.000 0.977 237 G CA -0.106 44.828 45.100 -0.277 0.000 0.652 237 G HN 2.391 nan 8.290 nan 0.000 0.531 238 G N -2.312 106.123 108.800 -0.610 0.000 2.528 238 G HA2 0.322 4.282 3.960 -0.000 0.000 0.681 238 G HA3 0.322 4.282 3.960 -0.000 0.000 0.681 238 G C 0.234 175.099 174.900 -0.058 0.000 1.340 238 G CA 0.308 45.111 45.100 -0.496 0.000 0.855 238 G HN 1.281 nan 8.290 nan 0.000 0.649 239 M N 1.384 121.043 119.600 0.098 0.000 2.296 239 M HA 0.031 4.511 4.480 -0.000 0.000 0.265 239 M C 2.266 178.696 176.300 0.216 0.000 1.064 239 M CA 2.611 58.011 55.300 0.167 0.000 1.109 239 M CB -0.327 32.404 32.600 0.219 0.000 1.396 239 M HN 0.736 nan 8.290 nan 0.000 0.430 240 D N -0.758 119.785 120.400 0.239 0.000 2.309 240 D HA -0.208 4.432 4.640 -0.000 0.000 0.212 240 D C 1.678 178.187 176.300 0.348 0.000 0.968 240 D CA 1.095 55.316 54.000 0.368 0.000 0.882 240 D CB -0.699 40.346 40.800 0.409 0.000 0.918 240 D HN 0.438 nan 8.370 nan 0.000 0.503 241 R N 0.019 120.624 120.500 0.174 0.000 2.152 241 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 241 R C 2.435 178.728 176.300 -0.012 0.000 1.117 241 R CA 0.868 57.032 56.100 0.107 0.000 0.981 241 R CB -0.310 29.984 30.300 -0.010 0.000 0.870 241 R HN 0.309 nan 8.270 nan 0.000 0.451 242 I N -0.447 120.022 120.570 -0.167 0.000 2.208 242 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 242 I C 1.506 177.265 176.117 -0.598 0.000 1.097 242 I CA 1.516 62.512 61.300 -0.507 0.000 1.363 242 I CB -0.215 37.322 38.000 -0.773 0.000 1.051 242 I HN 0.144 nan 8.210 nan 0.000 0.413 243 Y N -1.220 119.163 120.300 0.137 0.000 2.448 243 Y HA -0.068 4.482 4.550 0.000 0.000 0.289 243 Y C 2.226 178.141 175.900 0.025 0.000 1.114 243 Y CA 0.490 58.673 58.100 0.138 0.000 1.235 243 Y CB -0.810 37.673 38.460 0.038 0.000 1.045 243 Y HN 0.030 nan 8.280 nan 0.000 0.554 244 Y N -0.239 120.146 120.300 0.141 0.000 2.224 244 Y HA -0.203 4.347 4.550 -0.000 0.000 0.289 244 Y C 2.536 178.462 175.900 0.043 0.000 1.146 244 Y CA 1.050 59.202 58.100 0.087 0.000 1.182 244 Y CB -0.751 37.730 38.460 0.034 0.000 0.983 244 Y HN 0.103 nan 8.280 nan 0.000 0.524 245 A N -0.304 122.566 122.820 0.083 0.000 1.873 245 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 245 A C 1.960 179.513 177.584 -0.051 0.000 1.186 245 A CA 1.424 53.435 52.037 -0.043 0.000 0.616 245 A CB -1.200 17.684 19.000 -0.193 0.000 0.823 245 A HN 0.374 nan 8.150 nan 0.000 0.442 246 F N 0.229 120.110 119.950 -0.115 0.000 2.095 246 F HA -0.241 4.286 4.527 0.000 0.000 0.298 246 F C 2.659 178.480 175.800 0.035 0.000 1.104 246 F CA 1.882 59.811 58.000 -0.118 0.000 1.232 246 F CB -0.678 38.247 39.000 -0.125 0.000 0.987 246 F HN 0.414 nan 8.300 nan 0.000 0.475 247 Q N 0.341 120.303 119.800 0.270 0.000 2.077 247 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 247 Q C 1.655 177.779 176.000 0.207 0.000 0.989 247 Q CA 2.200 58.142 55.803 0.232 0.000 0.853 247 Q CB -0.240 28.638 28.738 0.233 0.000 0.907 247 Q HN 0.312 nan 8.270 nan 0.000 0.418 248 D N -0.323 120.185 120.400 0.180 0.000 2.178 248 D HA -0.117 4.523 4.640 -0.000 0.000 0.202 248 D C 1.972 178.363 176.300 0.151 0.000 0.974 248 D CA 0.716 54.804 54.000 0.147 0.000 0.841 248 D CB -0.090 40.778 40.800 0.113 0.000 0.953 248 D HN 0.210 nan 8.370 nan 0.000 0.478 249 R N 0.252 120.865 120.500 0.188 0.000 2.090 249 R HA 0.068 4.408 4.340 -0.000 0.000 0.228 249 R C 2.457 178.915 176.300 0.263 0.000 1.110 249 R CA 0.283 56.535 56.100 0.254 0.000 0.973 249 R CB -0.466 30.076 30.300 0.403 0.000 0.869 249 R HN 0.315 nan 8.270 nan 0.000 0.440 250 I N -0.084 120.650 120.570 0.274 0.000 2.353 250 I HA -0.056 4.113 4.170 -0.000 0.000 0.248 250 I C 0.722 176.917 176.117 0.130 0.000 1.119 250 I CA 0.975 62.396 61.300 0.203 0.000 1.417 250 I CB -0.220 37.890 38.000 0.184 0.000 1.078 250 I HN 0.269 nan 8.210 nan 0.000 0.421 251 G N 0.919 109.799 108.800 0.133 0.000 3.338 251 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 251 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 251 G C 0.560 175.523 174.900 0.104 0.000 1.053 251 G CA -0.110 45.054 45.100 0.107 0.000 0.852 251 G HN 0.254 nan 8.290 nan 0.000 0.545 252 T N -0.952 113.678 114.554 0.126 0.000 2.977 252 T HA -0.070 4.280 4.350 -0.000 0.000 0.271 252 T C 1.513 176.269 174.700 0.093 0.000 1.105 252 T CA 1.939 64.129 62.100 0.150 0.000 1.116 252 T CB -0.040 68.942 68.868 0.191 0.000 0.878 252 T HN 0.438 nan 8.240 nan 0.000 0.509 253 D N 1.893 122.335 120.400 0.070 0.000 2.309 253 D HA -0.034 4.606 4.640 -0.000 0.000 0.212 253 D C 1.470 177.785 176.300 0.024 0.000 0.968 253 D CA 0.684 54.713 54.000 0.048 0.000 0.882 253 D CB -0.223 40.603 40.800 0.044 0.000 0.918 253 D HN 0.487 nan 8.370 nan 0.000 0.503 254 N N -0.146 118.564 118.700 0.016 0.000 2.203 254 N HA 0.151 4.891 4.740 -0.000 0.000 0.207 254 N C -0.087 175.378 175.510 -0.075 0.000 1.130 254 N CA 0.047 53.088 53.050 -0.014 0.000 0.861 254 N CB 1.670 40.162 38.487 0.009 0.000 1.005 254 N HN 0.213 nan 8.380 nan 0.000 0.507 255 I N 0.815 121.321 120.570 -0.108 0.000 2.533 255 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 255 I C -0.663 175.269 176.117 -0.309 0.000 1.056 255 I CA -0.968 60.160 61.300 -0.286 0.000 1.057 255 I CB 2.695 40.450 38.000 -0.409 0.000 1.240 255 I HN -0.381 nan 8.210 nan 0.000 0.423 256 V N 6.128 125.808 119.914 -0.390 0.000 2.328 256 V HA 0.391 4.511 4.120 -0.000 0.000 0.278 256 V C -0.237 175.617 176.094 -0.400 0.000 1.021 256 V CA -0.430 61.704 62.300 -0.277 0.000 0.838 256 V CB 0.710 32.386 31.823 -0.245 0.000 0.999 256 V HN 0.372 nan 8.190 nan 0.000 0.447 257 F N 1.885 121.795 119.950 -0.067 0.000 2.370 257 F HA 0.634 5.161 4.527 -0.000 0.000 0.319 257 F C 1.489 177.254 175.800 -0.057 0.000 1.129 257 F CA 0.524 58.480 58.000 -0.075 0.000 1.109 257 F CB 1.072 40.046 39.000 -0.044 0.000 1.262 257 F HN 0.703 nan 8.300 nan 0.000 0.534 258 G N 0.907 109.787 108.800 0.134 0.000 2.225 258 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.267 258 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.267 258 G C -0.172 174.746 174.900 0.030 0.000 1.024 258 G CA 0.111 45.248 45.100 0.062 0.000 0.784 258 G HN 1.064 nan 8.290 nan 0.000 0.507 259 A N 0.179 122.967 122.820 -0.053 0.000 2.412 259 A HA 0.669 4.989 4.320 -0.000 0.000 0.334 259 A C 0.234 177.763 177.584 -0.092 0.000 1.419 259 A CA 0.031 52.046 52.037 -0.038 0.000 0.930 259 A CB 0.453 19.264 19.000 -0.315 0.000 1.149 259 A HN 0.541 nan 8.150 nan 0.000 0.515 260 E N 3.192 123.401 120.200 0.014 0.000 2.052 260 E HA 0.366 4.716 4.350 -0.000 0.000 0.283 260 E C -0.672 175.977 176.600 0.081 0.000 1.071 260 E CA -0.387 56.008 56.400 -0.009 0.000 0.851 260 E CB 0.656 30.409 29.700 0.089 0.000 1.066 260 E HN 0.419 nan 8.360 nan 0.000 0.396 261 V N 4.685 124.618 119.914 0.031 0.000 2.585 261 V HA -0.022 4.098 4.120 -0.000 0.000 0.296 261 V C 1.364 177.506 176.094 0.079 0.000 1.035 261 V CA 1.065 63.412 62.300 0.078 0.000 1.084 261 V CB 1.040 32.874 31.823 0.019 0.000 0.953 261 V HN 0.947 nan 8.190 nan 0.000 0.483 262 T N -0.423 114.183 114.554 0.086 0.000 2.958 262 T HA 0.249 4.599 4.350 -0.000 0.000 0.256 262 T C 0.517 175.247 174.700 0.050 0.000 0.983 262 T CA 0.361 62.499 62.100 0.063 0.000 0.924 262 T CB 0.517 69.417 68.868 0.053 0.000 1.136 262 T HN 0.589 nan 8.240 nan 0.000 0.506 263 S N 0.380 116.113 115.700 0.055 0.000 2.533 263 S HA 0.713 5.183 4.470 -0.000 0.000 0.271 263 S C -1.730 172.899 174.600 0.048 0.000 1.143 263 S CA -0.833 57.393 58.200 0.044 0.000 0.891 263 S CB 1.777 64.996 63.200 0.032 0.000 1.105 263 S HN 0.481 nan 8.310 nan 0.000 0.468 264 M N 4.422 124.047 119.600 0.042 0.000 2.182 264 M HA 0.509 4.989 4.480 -0.000 0.000 0.266 264 M C -2.201 174.116 176.300 0.027 0.000 0.989 264 M CA -0.251 55.071 55.300 0.036 0.000 1.003 264 M CB 1.143 33.768 32.600 0.042 0.000 1.812 264 M HN 0.641 nan 8.290 nan 0.000 0.472 265 K N 3.390 123.800 120.400 0.016 0.000 2.468 265 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 265 K C -1.206 175.393 176.600 -0.003 0.000 0.932 265 K CA -0.797 55.495 56.287 0.009 0.000 0.794 265 K CB 2.190 34.696 32.500 0.010 0.000 1.241 265 K HN 0.700 nan 8.250 nan 0.000 0.428 266 N N 1.338 120.032 118.700 -0.009 0.000 2.454 266 N HA 0.132 4.872 4.740 -0.000 0.000 0.260 266 N C -0.463 175.038 175.510 -0.015 0.000 1.218 266 N CA -0.065 52.974 53.050 -0.018 0.000 0.904 266 N CB 0.660 39.134 38.487 -0.021 0.000 1.065 266 N HN 0.296 nan 8.380 nan 0.000 0.462 267 V N -0.788 119.113 119.914 -0.021 0.000 3.160 267 V HA 0.456 4.576 4.120 -0.000 0.000 0.310 267 V C 1.076 177.155 176.094 -0.026 0.000 1.181 267 V CA -0.733 61.556 62.300 -0.019 0.000 1.047 267 V CB 1.457 33.270 31.823 -0.016 0.000 1.068 267 V HN 0.682 nan 8.190 nan 0.000 0.441 268 S N -0.033 115.654 115.700 -0.022 0.000 2.400 268 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 268 S C 1.192 175.772 174.600 -0.033 0.000 1.025 268 S CA 1.823 60.008 58.200 -0.024 0.000 0.993 268 S CB -0.761 62.428 63.200 -0.018 0.000 0.808 268 S HN 0.931 nan 8.310 nan 0.000 0.478 269 E N 1.239 121.418 120.200 -0.035 0.000 2.481 269 E HA 0.425 4.775 4.350 -0.000 0.000 0.195 269 E C 1.298 177.860 176.600 -0.065 0.000 1.047 269 E CA 0.206 56.581 56.400 -0.042 0.000 0.867 269 E CB -0.025 29.655 29.700 -0.032 0.000 0.858 269 E HN 0.648 nan 8.360 nan 0.000 0.513 270 G N 0.295 109.052 108.800 -0.073 0.000 2.061 270 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.059 270 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.059 270 G C -1.226 173.631 174.900 -0.072 0.000 1.013 270 G CA -0.414 44.620 45.100 -0.110 0.000 1.185 270 G HN 0.036 nan 8.290 nan 0.000 0.410 271 V N 1.257 121.140 119.914 -0.052 0.000 2.531 271 V HA 0.702 4.822 4.120 -0.000 0.000 0.301 271 V C -0.283 175.808 176.094 -0.006 0.000 1.034 271 V CA -0.367 61.920 62.300 -0.021 0.000 0.865 271 V CB 1.599 33.418 31.823 -0.006 0.000 0.995 271 V HN 0.795 nan 8.190 nan 0.000 0.424 272 T N 4.199 118.754 114.554 0.002 0.000 2.794 272 T HA 0.632 4.982 4.350 -0.000 0.000 0.280 272 T C -0.452 174.266 174.700 0.029 0.000 0.987 272 T CA -0.345 61.764 62.100 0.015 0.000 0.993 272 T CB 1.531 70.404 68.868 0.008 0.000 0.939 272 T HN 0.380 nan 8.240 nan 0.000 0.449 273 V N 4.042 123.988 119.914 0.053 0.000 2.444 273 V HA 0.390 4.510 4.120 -0.000 0.000 0.294 273 V C -0.081 176.091 176.094 0.130 0.000 1.022 273 V CA -0.902 61.447 62.300 0.081 0.000 0.850 273 V CB 1.764 33.633 31.823 0.078 0.000 0.992 273 V HN 0.846 nan 8.190 nan 0.000 0.426 274 E N 4.199 124.460 120.200 0.102 0.000 2.204 274 E HA 0.686 5.036 4.350 -0.000 0.000 0.276 274 E C -1.487 175.206 176.600 0.155 0.000 0.974 274 E CA -0.555 55.885 56.400 0.067 0.000 0.815 274 E CB 2.191 31.895 29.700 0.007 0.000 1.119 274 E HN 0.739 nan 8.360 nan 0.000 0.393 275 Y N -2.093 118.199 120.300 -0.012 0.000 2.609 275 Y HA 0.506 5.056 4.550 -0.000 0.000 0.336 275 Y C -1.019 174.876 175.900 -0.009 0.000 1.129 275 Y CA -1.163 56.927 58.100 -0.016 0.000 1.040 275 Y CB 1.198 39.638 38.460 -0.033 0.000 1.310 275 Y HN 0.174 nan 8.280 nan 0.000 0.460 276 T N 2.483 117.109 114.554 0.121 0.000 2.771 276 T HA 0.818 5.168 4.350 -0.000 0.000 0.281 276 T C -0.755 174.032 174.700 0.146 0.000 0.982 276 T CA -0.288 61.840 62.100 0.048 0.000 0.978 276 T CB 0.945 69.841 68.868 0.047 0.000 0.930 276 T HN 0.966 nan 8.240 nan 0.000 0.447 277 A N 1.765 124.648 122.820 0.104 0.000 2.408 277 A HA 0.744 5.064 4.320 -0.000 0.000 0.295 277 A C 0.848 178.479 177.584 0.078 0.000 1.040 277 A CA -0.252 51.871 52.037 0.143 0.000 0.707 277 A CB 0.780 19.939 19.000 0.263 0.000 1.235 277 A HN 1.410 nan 8.150 nan 0.000 0.418 278 G N 1.027 109.870 108.800 0.071 0.000 2.249 278 G HA2 0.137 4.097 3.960 -0.000 0.000 0.273 278 G HA3 0.137 4.097 3.960 -0.000 0.000 0.273 278 G C 1.704 176.624 174.900 0.034 0.000 1.036 278 G CA 1.451 46.581 45.100 0.051 0.000 0.824 278 G HN 2.878 nan 8.290 nan 0.000 0.504 279 G N -1.950 106.870 108.800 0.034 0.000 2.212 279 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.266 279 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.266 279 G C 0.636 175.539 174.900 0.004 0.000 0.978 279 G CA 1.363 46.475 45.100 0.021 0.000 0.632 279 G HN 2.086 nan 8.290 nan 0.000 0.537 280 S N 0.269 115.965 115.700 -0.006 0.000 2.565 280 S HA 0.628 5.098 4.470 -0.000 0.000 0.290 280 S C 0.127 174.680 174.600 -0.078 0.000 1.150 280 S CA -0.647 57.533 58.200 -0.034 0.000 1.058 280 S CB 0.759 63.941 63.200 -0.030 0.000 1.032 280 S HN 0.224 nan 8.310 nan 0.000 0.510 281 K N 3.901 124.243 120.400 -0.096 0.000 2.258 281 K HA 0.431 4.751 4.320 -0.000 0.000 0.284 281 K C -0.365 176.096 176.600 -0.231 0.000 1.051 281 K CA -0.458 55.742 56.287 -0.146 0.000 0.923 281 K CB 0.917 33.361 32.500 -0.094 0.000 1.046 281 K HN 0.502 nan 8.250 nan 0.000 0.474 282 K N 0.605 120.745 120.400 -0.432 0.000 2.400 282 K HA 0.469 4.788 4.320 -0.000 0.000 0.246 282 K C -0.557 175.733 176.600 -0.516 0.000 0.995 282 K CA -0.776 55.160 56.287 -0.585 0.000 0.840 282 K CB 2.382 34.219 32.500 -1.105 0.000 1.293 282 K HN 0.516 nan 8.250 nan 0.000 0.445 283 S N 0.796 116.327 115.700 -0.281 0.000 2.546 283 S HA 0.714 5.184 4.470 -0.000 0.000 0.274 283 S C -1.509 173.116 174.600 0.042 0.000 1.121 283 S CA -0.803 57.348 58.200 -0.081 0.000 0.887 283 S CB 1.006 64.174 63.200 -0.053 0.000 1.094 283 S HN 0.585 nan 8.310 nan 0.000 0.474 284 I N 2.667 123.307 120.570 0.117 0.000 2.686 284 I HA 0.602 4.772 4.170 -0.000 0.000 0.295 284 I C -1.208 174.945 176.117 0.060 0.000 1.114 284 I CA -0.149 61.214 61.300 0.105 0.000 1.038 284 I CB 2.320 40.413 38.000 0.155 0.000 1.238 284 I HN 0.627 nan 8.210 nan 0.000 0.420 285 T N 6.209 120.783 114.554 0.034 0.000 2.829 285 T HA 0.851 5.201 4.350 -0.000 0.000 0.280 285 T C -0.601 174.106 174.700 0.011 0.000 0.999 285 T CA -0.477 61.632 62.100 0.015 0.000 0.983 285 T CB 1.610 70.479 68.868 0.001 0.000 0.968 285 T HN 0.724 nan 8.240 nan 0.000 0.446 286 A N 1.611 124.433 122.820 0.003 0.000 2.532 286 A HA 0.681 5.000 4.320 -0.000 0.000 0.290 286 A C 0.359 177.918 177.584 -0.041 0.000 1.143 286 A CA -0.700 51.340 52.037 0.005 0.000 0.728 286 A CB 1.005 20.026 19.000 0.035 0.000 1.317 286 A HN 0.664 nan 8.150 nan 0.000 0.414 287 D N -0.678 119.687 120.400 -0.058 0.000 2.144 287 D HA 0.030 4.670 4.640 -0.000 0.000 0.200 287 D C -0.381 175.582 176.300 -0.561 0.000 0.978 287 D CA 2.188 56.022 54.000 -0.277 0.000 0.833 287 D CB -0.090 40.580 40.800 -0.217 0.000 0.961 287 D HN 0.490 nan 8.370 nan 0.000 0.470 288 Y N -1.055 119.290 120.300 0.075 0.000 2.581 288 Y HA 0.595 5.145 4.550 -0.000 0.000 0.345 288 Y C -0.310 175.613 175.900 0.038 0.000 1.036 288 Y CA -1.460 56.685 58.100 0.076 0.000 1.042 288 Y CB 1.906 40.407 38.460 0.069 0.000 1.289 288 Y HN -0.221 nan 8.280 nan 0.000 0.471 289 A N 1.924 124.874 122.820 0.217 0.000 2.386 289 A HA 0.848 5.168 4.320 -0.000 0.000 0.311 289 A C -1.393 176.245 177.584 0.090 0.000 1.068 289 A CA -0.684 51.410 52.037 0.096 0.000 0.743 289 A CB 0.760 19.782 19.000 0.035 0.000 1.258 289 A HN 0.686 nan 8.150 nan 0.000 0.429 290 I N 1.707 122.289 120.570 0.020 0.000 2.354 290 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 290 I C -0.473 175.646 176.117 0.004 0.000 1.007 290 I CA -0.355 60.947 61.300 0.004 0.000 1.167 290 I CB 1.442 39.410 38.000 -0.053 0.000 1.320 290 I HN 0.633 nan 8.210 nan 0.000 0.458 291 C N 5.669 124.987 119.300 0.030 0.000 2.239 291 C HA 0.404 4.864 4.460 -0.000 0.000 0.325 291 C C 1.542 176.645 174.990 0.189 0.000 1.231 291 C CA -0.184 58.894 59.018 0.100 0.000 1.652 291 C CB -0.375 27.454 27.740 0.149 0.000 2.284 291 C HN 0.920 nan 8.230 nan 0.000 0.499 292 T N 3.211 117.827 114.554 0.103 0.000 3.092 292 T HA 0.294 4.644 4.350 -0.000 0.000 0.258 292 T C 0.487 175.231 174.700 0.074 0.000 1.031 292 T CA -0.135 62.030 62.100 0.108 0.000 0.925 292 T CB -0.335 68.547 68.868 0.023 0.000 1.036 292 T HN 0.644 nan 8.240 nan 0.000 0.544 293 I N 3.153 123.753 120.570 0.051 0.000 2.683 293 I HA 0.172 4.342 4.170 -0.000 0.000 0.286 293 I C -2.047 174.018 176.117 -0.087 0.000 1.175 293 I CA -2.042 59.248 61.300 -0.017 0.000 1.429 293 I CB 0.379 38.373 38.000 -0.010 0.000 1.371 293 I HN 0.046 nan 8.210 nan 0.000 0.569 294 P HA -0.042 nan 4.420 nan 0.000 0.265 294 P C -1.865 175.159 177.300 -0.460 0.000 1.187 294 P CA -0.801 62.093 63.100 -0.344 0.000 0.766 294 P CB -0.012 31.485 31.700 -0.340 0.000 0.820 295 P HA -0.208 nan 4.420 nan 0.000 0.216 295 P C 1.103 178.264 177.300 -0.231 0.000 1.150 295 P CA 1.869 64.762 63.100 -0.345 0.000 0.837 295 P CB -0.518 30.950 31.700 -0.387 0.000 0.786 296 H N -1.235 117.710 119.070 -0.208 0.000 2.518 296 H HA 0.054 4.610 4.556 -0.000 0.000 0.289 296 H C 1.862 177.139 175.328 -0.084 0.000 1.051 296 H CA 0.519 56.485 56.048 -0.136 0.000 1.280 296 H CB -1.229 28.453 29.762 -0.132 0.000 1.380 296 H HN 0.115 nan 8.280 nan 0.000 0.566 297 L N 0.276 121.232 121.223 -0.445 0.000 2.477 297 L HA 0.052 4.392 4.340 -0.000 0.000 0.220 297 L C 1.966 178.769 176.870 -0.113 0.000 1.106 297 L CA -0.027 54.666 54.840 -0.246 0.000 0.851 297 L CB 0.152 42.039 42.059 -0.287 0.000 0.994 297 L HN 0.204 nan 8.230 nan 0.000 0.462 298 V N 0.733 120.582 119.914 -0.109 0.000 2.407 298 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 298 V C 2.616 178.715 176.094 0.007 0.000 1.055 298 V CA 2.074 64.362 62.300 -0.021 0.000 1.049 298 V CB -1.131 30.691 31.823 -0.002 0.000 0.662 298 V HN 0.572 nan 8.190 nan 0.000 0.455 299 G N -0.151 108.643 108.800 -0.009 0.000 2.470 299 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 299 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 299 G C 1.678 176.587 174.900 0.014 0.000 1.121 299 G CA 0.387 45.493 45.100 0.010 0.000 0.766 299 G HN 0.483 nan 8.290 nan 0.000 0.553 300 R N -0.582 119.922 120.500 0.007 0.000 2.236 300 R HA 0.188 4.528 4.340 -0.000 0.000 0.208 300 R C 0.564 176.878 176.300 0.023 0.000 1.036 300 R CA -0.160 55.948 56.100 0.013 0.000 1.001 300 R CB -0.184 30.121 30.300 0.008 0.000 0.896 300 R HN 0.295 nan 8.270 nan 0.000 0.464 301 L N 2.146 123.386 121.223 0.029 0.000 2.439 301 L HA 0.035 4.375 4.340 -0.000 0.000 0.269 301 L C 0.588 177.480 176.870 0.036 0.000 1.179 301 L CA -0.364 54.499 54.840 0.038 0.000 0.828 301 L CB 0.388 42.476 42.059 0.048 0.000 1.106 301 L HN 0.032 nan 8.230 nan 0.000 0.467 302 Q N 4.405 124.225 119.800 0.033 0.000 2.300 302 Q HA 0.139 4.478 4.340 -0.000 0.000 0.280 302 Q C -0.554 175.467 176.000 0.035 0.000 1.033 302 Q CA 0.364 56.185 55.803 0.030 0.000 0.903 302 Q CB 0.605 29.358 28.738 0.024 0.000 1.195 302 Q HN 0.755 nan 8.270 nan 0.000 0.386 303 N N 0.658 119.378 118.700 0.035 0.000 2.927 303 N HA 0.191 4.931 4.740 -0.000 0.000 0.248 303 N C -0.973 174.558 175.510 0.035 0.000 1.443 303 N CA -0.627 52.448 53.050 0.041 0.000 0.870 303 N CB 0.794 39.317 38.487 0.060 0.000 1.444 303 N HN 0.365 nan 8.380 nan 0.000 0.519 304 N N 0.254 118.974 118.700 0.034 0.000 2.497 304 N HA 0.229 4.969 4.740 -0.000 0.000 0.284 304 N C -0.878 174.653 175.510 0.035 0.000 1.459 304 N CA -0.367 52.700 53.050 0.028 0.000 0.899 304 N CB -0.071 38.426 38.487 0.017 0.000 1.316 304 N HN 0.475 nan 8.380 nan 0.000 0.500 305 L N 0.481 121.738 121.223 0.056 0.000 2.416 305 L HA 0.379 4.719 4.340 -0.000 0.000 0.272 305 L C -1.770 175.136 176.870 0.061 0.000 1.161 305 L CA -1.611 53.274 54.840 0.076 0.000 0.845 305 L CB 0.129 42.266 42.059 0.130 0.000 1.119 305 L HN -0.042 nan 8.230 nan 0.000 0.464 306 P HA 0.002 nan 4.420 nan 0.000 0.269 306 P C 0.788 178.117 177.300 0.049 0.000 1.217 306 P CA -0.072 63.055 63.100 0.044 0.000 0.783 306 P CB 0.665 32.389 31.700 0.040 0.000 0.898 307 G N 1.927 110.750 108.800 0.039 0.000 2.442 307 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 307 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 307 G C 0.982 175.907 174.900 0.042 0.000 1.141 307 G CA 0.966 46.088 45.100 0.037 0.000 0.763 307 G HN 0.623 nan 8.290 nan 0.000 0.554 308 D N 0.606 121.031 120.400 0.043 0.000 2.219 308 D HA -0.072 4.567 4.640 -0.000 0.000 0.205 308 D C 2.371 178.706 176.300 0.058 0.000 0.970 308 D CA 0.818 54.846 54.000 0.047 0.000 0.851 308 D CB -0.698 40.127 40.800 0.041 0.000 0.943 308 D HN 0.265 nan 8.370 nan 0.000 0.488 309 V N 0.857 120.813 119.914 0.069 0.000 2.323 309 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 309 V C 2.790 178.919 176.094 0.059 0.000 1.041 309 V CA 1.078 63.430 62.300 0.087 0.000 1.025 309 V CB -0.556 31.352 31.823 0.143 0.000 0.656 309 V HN 0.193 nan 8.190 nan 0.000 0.451 310 L N -0.217 121.040 121.223 0.057 0.000 2.042 310 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 310 L C 2.619 179.508 176.870 0.031 0.000 1.076 310 L CA 2.004 56.867 54.840 0.038 0.000 0.749 310 L CB -1.087 40.996 42.059 0.040 0.000 0.893 310 L HN 0.358 nan 8.230 nan 0.000 0.432 311 T N -0.137 114.443 114.554 0.042 0.000 2.746 311 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 311 T C 2.038 176.779 174.700 0.068 0.000 1.039 311 T CA 1.275 63.404 62.100 0.048 0.000 1.142 311 T CB -0.225 68.673 68.868 0.049 0.000 0.866 311 T HN 0.449 nan 8.240 nan 0.000 0.444 312 A N 1.288 124.157 122.820 0.081 0.000 1.902 312 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 312 A C 2.285 179.965 177.584 0.160 0.000 1.181 312 A CA 1.212 53.331 52.037 0.136 0.000 0.623 312 A CB -0.899 18.174 19.000 0.122 0.000 0.818 312 A HN 0.477 nan 8.150 nan 0.000 0.443 313 L N -0.679 120.573 121.223 0.048 0.000 2.079 313 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 313 L C 2.383 179.229 176.870 -0.039 0.000 1.081 313 L CA 1.655 56.476 54.840 -0.032 0.000 0.752 313 L CB -0.365 41.624 42.059 -0.116 0.000 0.896 313 L HN 0.347 nan 8.230 nan 0.000 0.433 314 K N -0.148 120.251 120.400 -0.000 0.000 2.442 314 K HA -0.041 4.279 4.320 -0.000 0.000 0.198 314 K C 2.023 178.618 176.600 -0.009 0.000 1.042 314 K CA 0.859 57.141 56.287 -0.008 0.000 0.958 314 K CB -0.095 32.413 32.500 0.012 0.000 0.766 314 K HN 0.284 nan 8.250 nan 0.000 0.474 315 A N 1.410 124.260 122.820 0.050 0.000 2.119 315 A HA 0.093 4.412 4.320 -0.000 0.000 0.216 315 A C 1.290 178.837 177.584 -0.061 0.000 1.152 315 A CA 0.638 52.741 52.037 0.111 0.000 0.708 315 A CB -0.045 19.147 19.000 0.320 0.000 0.805 315 A HN 0.220 nan 8.150 nan 0.000 0.460 316 A N 1.550 124.110 122.820 -0.433 0.000 2.671 316 A HA 0.438 4.758 4.320 -0.000 0.000 0.306 316 A C -0.128 177.183 177.584 -0.454 0.000 1.473 316 A CA -0.493 50.985 52.037 -0.933 0.000 1.155 316 A CB -0.188 18.028 19.000 -1.306 0.000 1.123 316 A HN 0.174 nan 8.150 nan 0.000 0.545 317 K N 2.720 122.937 120.400 -0.305 0.000 2.298 317 K HA 0.320 4.640 4.320 -0.000 0.000 0.280 317 K C -2.759 173.686 176.600 -0.259 0.000 1.032 317 K CA -2.286 53.876 56.287 -0.209 0.000 0.958 317 K CB 0.302 32.738 32.500 -0.107 0.000 0.978 317 K HN 0.303 nan 8.250 nan 0.000 0.472 318 P HA 0.081 nan 4.420 nan 0.000 0.269 318 P C -0.682 176.457 177.300 -0.268 0.000 1.215 318 P CA 0.032 62.874 63.100 -0.431 0.000 0.780 318 P CB 0.639 32.014 31.700 -0.542 0.000 0.898 319 S N 0.025 115.537 115.700 -0.314 0.000 2.542 319 S HA 0.530 5.000 4.470 -0.000 0.000 0.293 319 S C -0.626 173.754 174.600 -0.366 0.000 1.089 319 S CA -0.699 57.307 58.200 -0.323 0.000 0.961 319 S CB 1.285 64.206 63.200 -0.465 0.000 1.062 319 S HN 0.486 nan 8.310 nan 0.000 0.483 320 S N 1.064 116.621 115.700 -0.238 0.000 2.499 320 S HA 0.800 5.269 4.470 -0.000 0.000 0.279 320 S C -0.278 174.227 174.600 -0.159 0.000 1.219 320 S CA -0.571 57.544 58.200 -0.142 0.000 1.062 320 S CB 1.170 64.343 63.200 -0.045 0.000 0.978 320 S HN 0.581 nan 8.310 nan 0.000 0.489 321 S N 1.257 116.927 115.700 -0.050 0.000 2.547 321 S HA 0.847 5.317 4.470 -0.000 0.000 0.270 321 S C -0.593 174.230 174.600 0.373 0.000 1.150 321 S CA -0.138 58.136 58.200 0.125 0.000 0.850 321 S CB 1.303 64.479 63.200 -0.040 0.000 1.118 321 S HN 1.560 nan 8.310 nan 0.000 0.461 322 G N 2.073 111.150 108.800 0.462 0.000 2.623 322 G HA2 0.643 4.602 3.960 -0.000 0.000 0.290 322 G HA3 0.643 4.602 3.960 -0.000 0.000 0.290 322 G C -2.281 172.934 174.900 0.525 0.000 1.437 322 G CA -0.697 44.669 45.100 0.443 0.000 0.798 322 G HN 0.669 nan 8.290 nan 0.000 0.488 323 K N -0.661 119.931 120.400 0.320 0.000 2.512 323 K HA 0.723 5.043 4.320 -0.000 0.000 0.263 323 K C -1.638 174.722 176.600 -0.400 0.000 0.966 323 K CA -0.822 55.496 56.287 0.051 0.000 0.851 323 K CB 3.217 35.839 32.500 0.204 0.000 1.395 323 K HN 0.420 nan 8.250 nan 0.000 0.440 324 L N 0.281 120.952 121.223 -0.919 0.000 2.464 324 L HA 0.623 4.963 4.340 -0.000 0.000 0.266 324 L C -0.970 175.457 176.870 -0.739 0.000 0.965 324 L CA -0.338 54.040 54.840 -0.770 0.000 0.833 324 L CB 1.988 43.382 42.059 -1.109 0.000 1.296 324 L HN 0.795 nan 8.230 nan 0.000 0.405 325 G N 5.276 113.685 108.800 -0.652 0.000 2.415 325 G HA2 0.664 4.624 3.960 -0.000 0.000 0.327 325 G HA3 0.664 4.624 3.960 -0.000 0.000 0.327 325 G C -1.099 173.701 174.900 -0.167 0.000 1.182 325 G CA -0.503 44.172 45.100 -0.710 0.000 0.924 325 G HN 0.522 nan 8.290 nan 0.000 0.470 326 I N 1.202 121.610 120.570 -0.270 0.000 2.389 326 I HA 0.257 4.427 4.170 -0.000 0.000 0.288 326 I C -0.000 175.920 176.117 -0.328 0.000 0.999 326 I CA -0.623 60.527 61.300 -0.251 0.000 1.129 326 I CB 2.286 40.025 38.000 -0.436 0.000 1.288 326 I HN 0.496 nan 8.210 nan 0.000 0.444 327 E N 6.192 126.267 120.200 -0.208 0.000 2.194 327 E HA 0.259 4.609 4.350 -0.000 0.000 0.284 327 E C -1.588 174.878 176.600 -0.224 0.000 1.035 327 E CA -0.364 55.897 56.400 -0.232 0.000 0.836 327 E CB 0.754 30.373 29.700 -0.135 0.000 1.070 327 E HN 0.374 nan 8.360 nan 0.000 0.401 328 Y N 1.664 121.953 120.300 -0.018 0.000 2.361 328 Y HA 0.096 4.646 4.550 -0.000 0.000 0.332 328 Y C 1.328 177.232 175.900 0.006 0.000 1.101 328 Y CA -0.418 57.730 58.100 0.080 0.000 1.137 328 Y CB 2.016 40.650 38.460 0.289 0.000 1.207 328 Y HN 0.600 nan 8.280 nan 0.000 0.463 329 S N 1.754 117.552 115.700 0.163 0.000 2.671 329 S HA 0.244 4.714 4.470 -0.000 0.000 0.220 329 S C 0.309 174.927 174.600 0.030 0.000 0.951 329 S CA -0.347 57.880 58.200 0.045 0.000 0.932 329 S CB -0.153 63.063 63.200 0.028 0.000 0.777 329 S HN 0.700 nan 8.310 nan 0.000 0.508 330 R N 0.615 121.153 120.500 0.063 0.000 2.535 330 R HA 0.342 4.682 4.340 -0.000 0.000 0.274 330 R C -1.289 174.831 176.300 -0.301 0.000 1.090 330 R CA -0.576 55.490 56.100 -0.056 0.000 0.930 330 R CB 1.076 31.406 30.300 0.051 0.000 1.223 330 R HN 0.150 nan 8.270 nan 0.000 0.441 331 R N 5.171 125.285 120.500 -0.644 0.000 4.138 331 R HA 0.075 4.415 4.340 -0.000 0.000 0.206 331 R C 0.942 176.389 176.300 -1.422 0.000 1.667 331 R CA -0.190 54.948 56.100 -1.603 0.000 1.481 331 R CB 0.060 29.577 30.300 -1.306 0.000 1.388 331 R HN 0.655 nan 8.270 nan 0.000 0.776 332 W N 0.828 121.643 121.300 -0.808 0.000 2.392 332 W HA -0.216 4.444 4.660 0.000 0.000 0.279 332 W C 0.682 176.991 176.519 -0.350 0.000 1.225 332 W CA 0.456 57.556 57.345 -0.408 0.000 1.233 332 W CB -0.896 28.447 29.460 -0.196 0.000 1.122 332 W HN 0.475 nan 8.180 nan 0.000 0.561 333 W N 1.765 122.533 121.300 -0.886 0.000 2.388 333 W HA 0.003 4.663 4.660 -0.000 0.000 0.294 333 W C 1.846 178.019 176.519 -0.575 0.000 1.212 333 W CA 1.732 58.557 57.345 -0.867 0.000 1.271 333 W CB -1.290 27.236 29.460 -1.555 0.000 1.126 333 W HN -0.102 nan 8.180 nan 0.000 0.535 334 E N 0.523 120.110 120.200 -1.023 0.000 2.046 334 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 334 E C 2.418 178.756 176.600 -0.437 0.000 0.982 334 E CA 2.208 58.070 56.400 -0.897 0.000 0.800 334 E CB -0.456 28.460 29.700 -1.307 0.000 0.756 334 E HN 0.414 nan 8.360 nan 0.000 0.449 335 T N -0.968 113.354 114.554 -0.386 0.000 2.857 335 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 335 T C 1.707 176.374 174.700 -0.056 0.000 1.048 335 T CA 1.056 63.054 62.100 -0.171 0.000 1.139 335 T CB -0.055 68.717 68.868 -0.160 0.000 0.874 335 T HN 0.074 nan 8.240 nan 0.000 0.455 336 E N 0.644 120.839 120.200 -0.009 0.000 2.110 336 E HA 0.032 4.381 4.350 -0.000 0.000 0.193 336 E C 1.549 178.215 176.600 0.111 0.000 0.950 336 E CA 0.615 57.062 56.400 0.078 0.000 0.840 336 E CB 0.202 29.989 29.700 0.144 0.000 0.809 336 E HN 0.369 nan 8.360 nan 0.000 0.465 337 D N 0.145 120.621 120.400 0.127 0.000 2.349 337 D HA 0.028 4.668 4.640 -0.000 0.000 0.215 337 D C -0.066 176.290 176.300 0.093 0.000 1.016 337 D CA 0.174 54.270 54.000 0.161 0.000 0.870 337 D CB 0.364 41.266 40.800 0.169 0.000 0.917 337 D HN -0.060 nan 8.370 nan 0.000 0.524 338 R N 0.045 120.568 120.500 0.039 0.000 3.422 338 R HA -0.186 4.154 4.340 -0.000 0.000 0.267 338 R C -0.456 175.908 176.300 0.108 0.000 1.074 338 R CA 0.299 56.460 56.100 0.102 0.000 0.718 338 R CB -2.909 27.467 30.300 0.127 0.000 1.157 338 R HN 0.326 nan 8.270 nan 0.000 0.440 339 I N 1.055 121.592 120.570 -0.055 0.000 2.330 339 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 339 I C 0.006 176.067 176.117 -0.094 0.000 1.001 339 I CA -0.610 60.626 61.300 -0.107 0.000 1.193 339 I CB 0.837 38.566 38.000 -0.450 0.000 1.345 339 I HN -0.020 nan 8.210 nan 0.000 0.461 340 Y N 5.081 125.355 120.300 -0.044 0.000 2.464 340 Y HA 0.559 5.109 4.550 0.000 0.000 0.326 340 Y C 0.922 176.875 175.900 0.089 0.000 0.969 340 Y CA -0.367 57.748 58.100 0.024 0.000 1.270 340 Y CB 1.513 39.839 38.460 -0.223 0.000 1.103 340 Y HN 0.825 nan 8.280 nan 0.000 0.491 341 G N 1.624 110.613 108.800 0.314 0.000 2.750 341 G HA2 0.251 4.211 3.960 -0.000 0.000 0.228 341 G HA3 0.251 4.211 3.960 -0.000 0.000 0.228 341 G C 0.166 175.157 174.900 0.152 0.000 1.367 341 G CA -0.209 45.024 45.100 0.222 0.000 0.871 341 G HN 1.620 nan 8.290 nan 0.000 0.560 342 G N -1.819 107.022 108.800 0.069 0.000 2.741 342 G HA2 0.486 4.446 3.960 -0.000 0.000 0.222 342 G HA3 0.486 4.446 3.960 -0.000 0.000 0.222 342 G C 0.157 175.182 174.900 0.209 0.000 1.364 342 G CA 0.991 46.157 45.100 0.110 0.000 0.866 342 G HN 2.934 nan 8.290 nan 0.000 0.555 343 A N -0.861 122.098 122.820 0.232 0.000 2.486 343 A HA 0.877 5.197 4.320 -0.000 0.000 0.300 343 A C 0.042 177.830 177.584 0.339 0.000 1.048 343 A CA 0.691 52.868 52.037 0.233 0.000 0.696 343 A CB 1.666 20.756 19.000 0.150 0.000 1.278 343 A HN 1.882 nan 8.150 nan 0.000 0.405 344 S N 1.521 117.429 115.700 0.348 0.000 2.584 344 S HA 0.401 4.871 4.470 -0.000 0.000 0.273 344 S C 0.033 174.762 174.600 0.214 0.000 1.311 344 S CA -0.619 57.786 58.200 0.341 0.000 1.034 344 S CB 0.598 64.053 63.200 0.425 0.000 0.939 344 S HN 0.710 nan 8.310 nan 0.000 0.513 345 N N 0.692 119.482 118.700 0.151 0.000 2.269 345 N HA 0.502 5.242 4.740 -0.000 0.000 0.304 345 N C -1.350 174.149 175.510 -0.019 0.000 1.072 345 N CA -0.109 53.008 53.050 0.111 0.000 0.802 345 N CB 2.090 40.709 38.487 0.219 0.000 1.348 345 N HN 0.572 nan 8.380 nan 0.000 0.484 346 T N -0.006 114.592 114.554 0.072 0.000 2.821 346 T HA 0.163 4.513 4.350 -0.000 0.000 0.306 346 T C -0.308 174.517 174.700 0.208 0.000 1.313 346 T CA -0.509 61.613 62.100 0.036 0.000 1.012 346 T CB 0.957 69.816 68.868 -0.015 0.000 1.298 346 T HN 0.615 nan 8.240 nan 0.000 0.502 347 D N 1.159 121.716 120.400 0.262 0.000 2.349 347 D HA 0.107 4.747 4.640 -0.000 0.000 0.215 347 D C 0.424 176.779 176.300 0.092 0.000 1.016 347 D CA 0.187 54.295 54.000 0.179 0.000 0.870 347 D CB -0.028 40.880 40.800 0.180 0.000 0.917 347 D HN 0.425 nan 8.370 nan 0.000 0.524 348 K N 0.725 121.169 120.400 0.074 0.000 2.286 348 K HA 0.002 4.322 4.320 -0.000 0.000 0.256 348 K C 0.638 177.278 176.600 0.067 0.000 0.999 348 K CA -0.253 56.064 56.287 0.050 0.000 0.908 348 K CB 0.612 33.137 32.500 0.043 0.000 0.981 348 K HN -0.194 nan 8.250 nan 0.000 0.500 349 D N 1.356 121.784 120.400 0.047 0.000 2.158 349 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 349 D C 1.724 178.165 176.300 0.236 0.000 0.995 349 D CA 1.439 55.481 54.000 0.070 0.000 0.846 349 D CB -0.306 40.423 40.800 -0.118 0.000 0.941 349 D HN 0.593 nan 8.370 nan 0.000 0.456 350 I N -1.857 118.872 120.570 0.266 0.000 2.315 350 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 350 I C 1.253 177.472 176.117 0.171 0.000 1.125 350 I CA 1.072 62.519 61.300 0.245 0.000 1.392 350 I CB -0.160 37.983 38.000 0.240 0.000 1.065 350 I HN -0.171 nan 8.210 nan 0.000 0.424 351 S N 0.223 116.000 115.700 0.129 0.000 1.703 351 S HA -0.318 4.152 4.470 -0.000 0.000 0.232 351 S C 0.422 175.074 174.600 0.086 0.000 0.865 351 S CA 1.874 60.130 58.200 0.094 0.000 1.462 351 S CB -1.156 62.081 63.200 0.062 0.000 1.879 351 S HN 0.973 nan 8.310 nan 0.000 0.532 352 Q N -0.404 119.455 119.800 0.099 0.000 2.527 352 Q HA 0.768 5.108 4.340 -0.000 0.000 0.280 352 Q C -1.797 174.245 176.000 0.070 0.000 0.977 352 Q CA -0.950 54.906 55.803 0.088 0.000 0.837 352 Q CB 1.449 30.232 28.738 0.075 0.000 1.454 352 Q HN 0.440 nan 8.270 nan 0.000 0.387 353 I N 2.171 122.745 120.570 0.006 0.000 2.389 353 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 353 I C -0.633 175.244 176.117 -0.400 0.000 0.999 353 I CA -0.817 60.371 61.300 -0.186 0.000 1.129 353 I CB 1.673 39.565 38.000 -0.180 0.000 1.288 353 I HN 0.526 nan 8.210 nan 0.000 0.444 354 M N 6.306 125.633 119.600 -0.454 0.000 2.167 354 M HA 0.486 4.966 4.480 -0.000 0.000 0.333 354 M C -1.082 174.819 176.300 -0.665 0.000 1.030 354 M CA -0.434 54.651 55.300 -0.358 0.000 0.963 354 M CB 1.337 33.914 32.600 -0.037 0.000 1.589 354 M HN 0.250 nan 8.290 nan 0.000 0.431 355 F N 3.784 123.548 119.950 -0.309 0.000 2.379 355 F HA 0.509 5.036 4.527 -0.000 0.000 0.332 355 F C -1.736 173.836 175.800 -0.381 0.000 1.096 355 F CA -2.031 55.639 58.000 -0.550 0.000 1.105 355 F CB 0.372 39.025 39.000 -0.579 0.000 1.189 355 F HN 0.346 nan 8.300 nan 0.000 0.515 356 P HA 0.014 nan 4.420 nan 0.000 0.272 356 P C -0.679 176.487 177.300 -0.224 0.000 1.230 356 P CA -0.046 62.824 63.100 -0.383 0.000 0.788 356 P CB 0.399 31.860 31.700 -0.398 0.000 0.949 357 Y N -1.141 119.034 120.300 -0.207 0.000 2.555 357 Y HA 0.374 4.924 4.550 -0.000 0.000 0.259 357 Y C -0.065 175.472 175.900 -0.604 0.000 1.179 357 Y CA -0.988 56.970 58.100 -0.236 0.000 1.230 357 Y CB -0.291 38.073 38.460 -0.160 0.000 1.146 357 Y HN 0.166 nan 8.280 nan 0.000 0.526 358 D N -2.282 117.673 120.400 -0.743 0.000 2.592 358 D HA 0.177 4.817 4.640 -0.000 0.000 0.263 358 D C -0.069 175.901 176.300 -0.549 0.000 1.132 358 D CA -0.823 52.774 54.000 -0.671 0.000 0.996 358 D CB 0.359 40.883 40.800 -0.461 0.000 1.442 358 D HN 0.205 nan 8.370 nan 0.000 0.486 359 H N -1.306 117.564 119.070 -0.333 0.000 2.741 359 H HA -0.200 4.356 4.556 -0.000 0.000 0.305 359 H C -0.573 174.718 175.328 -0.062 0.000 1.169 359 H CA 0.571 56.523 56.048 -0.161 0.000 1.144 359 H CB -2.165 27.518 29.762 -0.132 0.000 1.397 359 H HN 0.357 nan 8.280 nan 0.000 0.409 360 Y N 1.080 121.448 120.300 0.112 0.000 2.712 360 Y HA -0.078 4.472 4.550 -0.000 0.000 0.333 360 Y C 1.707 177.674 175.900 0.112 0.000 1.225 360 Y CA 0.507 58.693 58.100 0.144 0.000 1.499 360 Y CB 0.255 38.852 38.460 0.230 0.000 1.288 360 Y HN 0.287 nan 8.280 nan 0.000 0.575 361 N N -0.617 118.217 118.700 0.222 0.000 2.828 361 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 361 N C 0.250 175.782 175.510 0.037 0.000 1.044 361 N CA 1.067 54.178 53.050 0.102 0.000 0.851 361 N CB -1.045 37.535 38.487 0.155 0.000 1.136 361 N HN 0.519 nan 8.380 nan 0.000 0.572 362 S N 0.116 115.840 115.700 0.041 0.000 2.632 362 S HA 0.214 4.684 4.470 -0.000 0.000 0.267 362 S C 1.099 175.671 174.600 -0.048 0.000 1.193 362 S CA 0.375 58.595 58.200 0.034 0.000 1.003 362 S CB 0.602 63.868 63.200 0.111 0.000 1.073 362 S HN 0.322 nan 8.310 nan 0.000 0.553 363 D N -0.337 120.036 120.400 -0.044 0.000 2.349 363 D HA 0.104 4.744 4.640 -0.000 0.000 0.214 363 D C 0.558 176.787 176.300 -0.119 0.000 1.063 363 D CA 0.028 53.979 54.000 -0.082 0.000 0.847 363 D CB -0.112 40.656 40.800 -0.052 0.000 0.933 363 D HN 0.579 nan 8.370 nan 0.000 0.513 364 R N -2.040 118.379 120.500 -0.135 0.000 2.728 364 R HA 0.672 5.012 4.340 -0.000 0.000 0.274 364 R C -0.972 175.252 176.300 -0.126 0.000 1.030 364 R CA -0.983 55.013 56.100 -0.173 0.000 0.876 364 R CB 1.084 31.208 30.300 -0.293 0.000 1.259 364 R HN -0.013 nan 8.270 nan 0.000 0.468 365 G N 0.285 109.067 108.800 -0.030 0.000 2.489 365 G HA2 0.414 4.374 3.960 -0.000 0.000 0.291 365 G HA3 0.414 4.374 3.960 -0.000 0.000 0.291 365 G C -1.841 173.054 174.900 -0.009 0.000 1.487 365 G CA -0.672 44.487 45.100 0.098 0.000 0.795 365 G HN 0.349 nan 8.290 nan 0.000 0.513 366 V N 0.604 120.376 119.914 -0.237 0.000 2.407 366 V HA 0.531 4.651 4.120 -0.000 0.000 0.278 366 V C 0.190 175.970 176.094 -0.524 0.000 1.037 366 V CA -0.602 61.419 62.300 -0.465 0.000 0.900 366 V CB 1.273 32.657 31.823 -0.733 0.000 0.983 366 V HN 0.590 nan 8.190 nan 0.000 0.459 367 V N 5.621 125.215 119.914 -0.533 0.000 2.472 367 V HA 0.321 4.441 4.120 -0.000 0.000 0.290 367 V C 0.101 175.855 176.094 -0.566 0.000 1.037 367 V CA -0.652 61.248 62.300 -0.668 0.000 0.908 367 V CB 2.029 33.449 31.823 -0.672 0.000 0.985 367 V HN 0.611 nan 8.190 nan 0.000 0.454 368 V N 5.181 124.755 119.914 -0.566 0.000 2.352 368 V HA 0.183 4.303 4.120 -0.000 0.000 0.253 368 V C 1.303 177.178 176.094 -0.366 0.000 1.083 368 V CA 0.576 62.572 62.300 -0.507 0.000 0.993 368 V CB 0.433 32.054 31.823 -0.335 0.000 1.111 368 V HN 1.079 nan 8.190 nan 0.000 0.490 369 A N 5.372 127.999 122.820 -0.322 0.000 2.066 369 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 369 A C 0.694 178.282 177.584 0.006 0.000 1.157 369 A CA 1.157 53.148 52.037 -0.076 0.000 0.670 369 A CB -0.090 18.909 19.000 -0.001 0.000 0.804 369 A HN 1.001 nan 8.150 nan 0.000 0.453 370 Y N -4.893 115.335 120.300 -0.120 0.000 2.552 370 Y HA 0.614 5.164 4.550 -0.000 0.000 0.337 370 Y C -1.378 174.543 175.900 0.035 0.000 1.094 370 Y CA -2.759 55.289 58.100 -0.086 0.000 1.028 370 Y CB 0.562 38.868 38.460 -0.257 0.000 1.321 370 Y HN 0.103 nan 8.280 nan 0.000 0.456 371 Y N 3.225 123.658 120.300 0.223 0.000 2.373 371 Y HA 0.704 5.254 4.550 -0.000 0.000 0.327 371 Y C -1.400 174.643 175.900 0.238 0.000 1.036 371 Y CA -1.273 56.972 58.100 0.241 0.000 1.265 371 Y CB 1.219 39.791 38.460 0.187 0.000 1.108 371 Y HN 0.917 nan 8.280 nan 0.000 0.471 372 S N 3.041 118.919 115.700 0.297 0.000 2.599 372 S HA 0.970 5.440 4.470 -0.000 0.000 0.294 372 S C -1.018 173.665 174.600 0.138 0.000 1.094 372 S CA -0.668 57.591 58.200 0.098 0.000 0.931 372 S CB 2.241 65.504 63.200 0.106 0.000 1.093 372 S HN 0.427 nan 8.310 nan 0.000 0.488 373 S N 0.024 115.778 115.700 0.091 0.000 2.627 373 S HA 0.934 5.404 4.470 -0.000 0.000 0.283 373 S C 0.588 175.247 174.600 0.098 0.000 1.127 373 S CA -0.047 58.229 58.200 0.126 0.000 0.863 373 S CB 1.020 64.359 63.200 0.232 0.000 1.121 373 S HN 2.039 nan 8.310 nan 0.000 0.479 374 G N 2.255 111.101 108.800 0.076 0.000 2.574 374 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.286 374 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.286 374 G C 0.790 175.713 174.900 0.038 0.000 1.212 374 G CA 0.911 46.046 45.100 0.058 0.000 0.979 374 G HN 0.803 nan 8.290 nan 0.000 0.557 375 K N 0.473 120.891 120.400 0.030 0.000 2.074 375 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 375 K C 2.564 179.166 176.600 0.003 0.000 1.048 375 K CA 2.004 58.296 56.287 0.009 0.000 0.926 375 K CB -0.213 32.290 32.500 0.005 0.000 0.713 375 K HN 0.474 nan 8.250 nan 0.000 0.444 376 R N -0.258 120.258 120.500 0.026 0.000 2.307 376 R HA -0.072 4.268 4.340 -0.000 0.000 0.199 376 R C 2.011 178.372 176.300 0.103 0.000 1.000 376 R CA 0.742 56.863 56.100 0.035 0.000 1.023 376 R CB 0.088 30.423 30.300 0.058 0.000 0.908 376 R HN 0.253 nan 8.270 nan 0.000 0.473 377 Q N 1.009 120.872 119.800 0.104 0.000 2.349 377 Q HA -0.022 4.318 4.340 -0.000 0.000 0.209 377 Q C 1.210 177.271 176.000 0.103 0.000 0.920 377 Q CA 1.139 57.037 55.803 0.159 0.000 0.901 377 Q CB 0.409 29.228 28.738 0.135 0.000 1.021 377 Q HN 0.225 nan 8.270 nan 0.000 0.519 378 E N 0.051 120.271 120.200 0.033 0.000 2.171 378 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 378 E C 1.604 178.174 176.600 -0.051 0.000 0.997 378 E CA 1.142 57.539 56.400 -0.005 0.000 0.810 378 E CB -0.198 29.489 29.700 -0.021 0.000 0.738 378 E HN 0.487 nan 8.360 nan 0.000 0.467 379 A N -0.226 122.521 122.820 -0.122 0.000 2.121 379 A HA -0.099 4.220 4.320 -0.000 0.000 0.218 379 A C 1.452 178.746 177.584 -0.484 0.000 1.154 379 A CA 0.960 52.812 52.037 -0.308 0.000 0.679 379 A CB -0.226 18.520 19.000 -0.423 0.000 0.795 379 A HN 0.192 nan 8.150 nan 0.000 0.458 380 F N -1.660 118.215 119.950 -0.125 0.000 2.680 380 F HA 0.194 4.721 4.527 0.000 0.000 0.290 380 F C 1.971 177.747 175.800 -0.039 0.000 1.114 380 F CA 0.399 58.329 58.000 -0.117 0.000 1.333 380 F CB -0.045 38.804 39.000 -0.252 0.000 1.091 380 F HN 0.246 nan 8.300 nan 0.000 0.606 381 E N 0.371 120.653 120.200 0.137 0.000 2.085 381 E HA -0.179 4.170 4.350 -0.000 0.000 0.194 381 E C 1.652 178.283 176.600 0.053 0.000 0.994 381 E CA 1.701 58.155 56.400 0.090 0.000 0.801 381 E CB -0.014 29.718 29.700 0.052 0.000 0.743 381 E HN 0.194 nan 8.360 nan 0.000 0.453 382 S N -0.115 115.599 115.700 0.024 0.000 2.548 382 S HA 0.153 4.623 4.470 -0.000 0.000 0.215 382 S C 0.496 175.103 174.600 0.011 0.000 0.976 382 S CA -0.200 58.005 58.200 0.007 0.000 0.908 382 S CB 0.167 63.360 63.200 -0.013 0.000 0.781 382 S HN 0.147 nan 8.310 nan 0.000 0.519 383 L N 2.556 123.795 121.223 0.028 0.000 2.418 383 L HA 0.247 4.587 4.340 -0.000 0.000 0.265 383 L C 1.162 178.063 176.870 0.052 0.000 1.143 383 L CA -0.656 54.203 54.840 0.033 0.000 0.809 383 L CB 0.388 42.474 42.059 0.046 0.000 1.124 383 L HN 0.165 nan 8.230 nan 0.000 0.456 384 T N -3.006 111.571 114.554 0.038 0.000 2.802 384 T HA -0.050 4.299 4.350 -0.000 0.000 0.305 384 T C 1.050 175.792 174.700 0.070 0.000 1.053 384 T CA -0.077 62.052 62.100 0.049 0.000 1.058 384 T CB 0.632 69.521 68.868 0.035 0.000 0.988 384 T HN 0.688 nan 8.240 nan 0.000 0.539 385 H N 1.167 120.237 119.070 0.001 0.000 2.352 385 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 385 H C 2.374 177.715 175.328 0.022 0.000 1.097 385 H CA 1.984 58.028 56.048 -0.007 0.000 1.311 385 H CB -0.043 29.676 29.762 -0.072 0.000 1.377 385 H HN 0.655 nan 8.280 nan 0.000 0.504 386 R N -0.137 120.323 120.500 -0.067 0.000 2.091 386 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 386 R C 2.555 178.805 176.300 -0.083 0.000 1.136 386 R CA 1.935 57.979 56.100 -0.093 0.000 0.959 386 R CB -0.156 30.143 30.300 -0.002 0.000 0.856 386 R HN 0.566 nan 8.270 nan 0.000 0.437 387 Q N -0.166 119.616 119.800 -0.031 0.000 2.119 387 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 387 Q C 2.138 178.166 176.000 0.047 0.000 0.972 387 Q CA 1.214 57.019 55.803 0.003 0.000 0.847 387 Q CB -0.006 28.738 28.738 0.010 0.000 0.903 387 Q HN 0.290 nan 8.270 nan 0.000 0.433 388 R N 0.210 120.752 120.500 0.069 0.000 2.083 388 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 388 R C 2.298 178.708 176.300 0.182 0.000 1.137 388 R CA 1.217 57.471 56.100 0.256 0.000 0.951 388 R CB -0.452 29.995 30.300 0.245 0.000 0.851 388 R HN 0.172 nan 8.270 nan 0.000 0.434 389 L N 0.769 121.934 121.223 -0.098 0.000 2.017 389 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 389 L C 2.269 179.162 176.870 0.038 0.000 1.073 389 L CA 2.043 56.826 54.840 -0.094 0.000 0.745 389 L CB -0.705 41.203 42.059 -0.252 0.000 0.894 389 L HN 0.149 nan 8.230 nan 0.000 0.432 390 A N -0.498 122.338 122.820 0.028 0.000 1.883 390 A HA -0.291 4.028 4.320 -0.000 0.000 0.217 390 A C 2.477 180.121 177.584 0.101 0.000 1.186 390 A CA 2.142 54.211 52.037 0.055 0.000 0.624 390 A CB -0.690 18.327 19.000 0.028 0.000 0.822 390 A HN 0.533 nan 8.150 nan 0.000 0.444 391 K N -0.418 120.062 120.400 0.133 0.000 2.057 391 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 391 K C 2.156 178.912 176.600 0.260 0.000 1.049 391 K CA 1.214 57.596 56.287 0.159 0.000 0.931 391 K CB -0.342 32.233 32.500 0.125 0.000 0.714 391 K HN 0.354 nan 8.250 nan 0.000 0.440 392 A N 1.270 124.307 122.820 0.361 0.000 1.902 392 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 392 A C 2.080 179.856 177.584 0.321 0.000 1.181 392 A CA 1.515 53.775 52.037 0.372 0.000 0.623 392 A CB -0.556 18.648 19.000 0.340 0.000 0.818 392 A HN 0.353 nan 8.150 nan 0.000 0.443 393 I N -0.377 120.364 120.570 0.285 0.000 2.252 393 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 393 I C 2.980 179.244 176.117 0.246 0.000 1.102 393 I CA 0.952 62.462 61.300 0.351 0.000 1.385 393 I CB -0.359 37.773 38.000 0.221 0.000 1.064 393 I HN 0.356 nan 8.210 nan 0.000 0.414 394 A N 0.669 123.580 122.820 0.152 0.000 1.858 394 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 394 A C 2.230 179.845 177.584 0.052 0.000 1.190 394 A CA 1.840 53.930 52.037 0.089 0.000 0.617 394 A CB -0.647 18.392 19.000 0.063 0.000 0.827 394 A HN 0.443 nan 8.150 nan 0.000 0.443 395 E N -0.843 119.394 120.200 0.063 0.000 2.106 395 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 395 E C 2.136 178.694 176.600 -0.071 0.000 0.984 395 E CA 0.710 57.124 56.400 0.023 0.000 0.806 395 E CB -0.364 29.383 29.700 0.078 0.000 0.750 395 E HN 0.615 nan 8.360 nan 0.000 0.458 396 G N 1.368 110.061 108.800 -0.179 0.000 2.422 396 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 396 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 396 G C 1.730 176.234 174.900 -0.660 0.000 1.146 396 G CA 1.132 45.790 45.100 -0.736 0.000 0.769 396 G HN 0.382 nan 8.290 nan 0.000 0.547 397 S N 0.586 116.135 115.700 -0.252 0.000 2.423 397 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 397 S C 1.882 176.458 174.600 -0.040 0.000 1.014 397 S CA 1.535 59.710 58.200 -0.040 0.000 0.965 397 S CB -0.251 62.992 63.200 0.071 0.000 0.785 397 S HN 0.561 nan 8.310 nan 0.000 0.495 398 E N 0.563 120.730 120.200 -0.055 0.000 2.347 398 E HA 0.119 4.469 4.350 -0.000 0.000 0.196 398 E C 1.620 178.189 176.600 -0.051 0.000 1.008 398 E CA 0.941 57.316 56.400 -0.041 0.000 0.852 398 E CB -0.138 29.541 29.700 -0.034 0.000 0.783 398 E HN 0.659 nan 8.360 nan 0.000 0.505 399 I N -0.615 119.919 120.570 -0.060 0.000 2.947 399 I HA -0.050 4.119 4.170 -0.000 0.000 0.263 399 I C 1.704 177.802 176.117 -0.031 0.000 1.130 399 I CA 0.461 61.733 61.300 -0.047 0.000 1.448 399 I CB 0.211 38.200 38.000 -0.018 0.000 1.222 399 I HN 0.131 nan 8.210 nan 0.000 0.453 400 H N 0.817 119.943 119.070 0.094 0.000 2.755 400 H HA 0.334 4.890 4.556 -0.000 0.000 0.273 400 H C 0.771 176.133 175.328 0.057 0.000 1.055 400 H CA 0.784 56.949 56.048 0.195 0.000 1.191 400 H CB 0.820 30.735 29.762 0.255 0.000 1.536 400 H HN 0.378 nan 8.280 nan 0.000 0.529 401 G N 1.310 110.157 108.800 0.080 0.000 2.728 401 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.294 401 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.294 401 G C 0.640 175.541 174.900 0.000 0.000 1.342 401 G CA -0.199 44.917 45.100 0.027 0.000 0.866 401 G HN 0.199 nan 8.290 nan 0.000 0.534 402 E N 0.470 120.661 120.200 -0.015 0.000 2.204 402 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 402 E C 2.509 179.065 176.600 -0.074 0.000 0.990 402 E CA 1.610 58.000 56.400 -0.017 0.000 0.821 402 E CB -0.255 29.437 29.700 -0.013 0.000 0.750 402 E HN 0.787 nan 8.360 nan 0.000 0.477 403 K N -0.182 120.111 120.400 -0.179 0.000 2.211 403 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 403 K C 1.982 178.225 176.600 -0.595 0.000 1.047 403 K CA 1.152 57.209 56.287 -0.384 0.000 0.935 403 K CB -0.563 31.636 32.500 -0.502 0.000 0.728 403 K HN 0.067 nan 8.250 nan 0.000 0.452 404 Y N 3.163 123.119 120.300 -0.573 0.000 2.403 404 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 404 Y C 2.357 178.297 175.900 0.067 0.000 1.143 404 Y CA 1.907 59.813 58.100 -0.323 0.000 1.257 404 Y CB -0.066 38.340 38.460 -0.091 0.000 0.984 404 Y HN 0.402 nan 8.280 nan 0.000 0.550 405 T N -2.220 112.397 114.554 0.106 0.000 3.081 405 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 405 T C 0.713 175.465 174.700 0.086 0.000 1.100 405 T CA -0.238 61.931 62.100 0.115 0.000 1.038 405 T CB 0.002 68.923 68.868 0.088 0.000 0.962 405 T HN 0.028 nan 8.240 nan 0.000 0.516 406 R N 1.187 121.732 120.500 0.075 0.000 2.720 406 R HA 0.402 4.742 4.340 -0.000 0.000 0.272 406 R C -0.405 176.014 176.300 0.198 0.000 0.991 406 R CA -0.557 55.592 56.100 0.082 0.000 1.010 406 R CB 0.580 30.893 30.300 0.023 0.000 1.141 406 R HN 0.143 nan 8.270 nan 0.000 0.494 407 D N 0.560 121.052 120.400 0.153 0.000 2.945 407 D HA -0.182 4.458 4.640 -0.000 0.000 0.225 407 D C -0.428 175.986 176.300 0.189 0.000 1.158 407 D CA 0.966 55.083 54.000 0.195 0.000 0.805 407 D CB -0.987 39.973 40.800 0.267 0.000 1.098 407 D HN 0.430 nan 8.370 nan 0.000 0.426 408 I N 0.873 121.467 120.570 0.040 0.000 2.352 408 I HA 0.019 4.189 4.170 -0.000 0.000 0.290 408 I C 1.591 177.655 176.117 -0.088 0.000 1.036 408 I CA -0.014 61.183 61.300 -0.170 0.000 1.336 408 I CB 1.403 39.274 38.000 -0.216 0.000 1.407 408 I HN -0.172 nan 8.210 nan 0.000 0.497 409 S N 3.216 118.858 115.700 -0.098 0.000 2.412 409 S HA 0.101 4.571 4.470 -0.000 0.000 0.223 409 S C 0.473 175.068 174.600 -0.009 0.000 1.048 409 S CA 0.371 58.551 58.200 -0.034 0.000 0.954 409 S CB 0.265 63.452 63.200 -0.022 0.000 0.840 409 S HN 0.846 nan 8.310 nan 0.000 0.503 410 S N 0.201 115.906 115.700 0.008 0.000 2.636 410 S HA 0.698 5.168 4.470 -0.000 0.000 0.268 410 S C -1.110 173.568 174.600 0.130 0.000 1.159 410 S CA -0.379 57.860 58.200 0.065 0.000 0.815 410 S CB 1.527 64.776 63.200 0.081 0.000 1.130 410 S HN 0.549 nan 8.310 nan 0.000 0.471 411 S N 0.149 115.942 115.700 0.155 0.000 2.625 411 S HA 0.879 5.349 4.470 -0.000 0.000 0.271 411 S C -1.616 173.092 174.600 0.181 0.000 1.161 411 S CA -0.868 57.475 58.200 0.239 0.000 0.820 411 S CB 1.472 64.796 63.200 0.206 0.000 1.137 411 S HN 1.774 nan 8.310 nan 0.000 0.470 412 F N 1.292 121.262 119.950 0.033 0.000 2.639 412 F HA 0.615 5.142 4.527 0.000 0.000 0.320 412 F C -0.881 174.935 175.800 0.027 0.000 1.128 412 F CA 0.106 57.999 58.000 -0.178 0.000 1.037 412 F CB 1.782 40.589 39.000 -0.323 0.000 1.288 412 F HN 1.094 nan 8.300 nan 0.000 0.463 413 S N 3.411 118.774 115.700 -0.563 0.000 2.599 413 S HA 0.998 5.468 4.470 -0.000 0.000 0.294 413 S C -0.665 173.682 174.600 -0.420 0.000 1.094 413 S CA -0.443 57.610 58.200 -0.244 0.000 0.931 413 S CB 1.966 65.185 63.200 0.032 0.000 1.093 413 S HN 1.181 nan 8.310 nan 0.000 0.488 414 G N -0.198 108.492 108.800 -0.183 0.000 2.591 414 G HA2 0.603 4.563 3.960 -0.000 0.000 0.306 414 G HA3 0.603 4.563 3.960 -0.000 0.000 0.306 414 G C -1.390 173.417 174.900 -0.156 0.000 1.334 414 G CA -0.712 44.260 45.100 -0.213 0.000 0.981 414 G HN 0.837 nan 8.290 nan 0.000 0.491 415 S N 0.677 116.268 115.700 -0.182 0.000 2.756 415 S HA 0.311 4.781 4.470 -0.000 0.000 0.303 415 S C 0.247 174.778 174.600 -0.115 0.000 1.135 415 S CA -0.731 57.431 58.200 -0.063 0.000 1.066 415 S CB 0.484 63.708 63.200 0.040 0.000 1.008 415 S HN 0.592 nan 8.310 nan 0.000 0.482 416 W N 3.472 124.812 121.300 0.067 0.000 2.374 416 W HA 0.050 4.710 4.660 -0.000 0.000 0.288 416 W C 2.422 178.930 176.519 -0.019 0.000 1.218 416 W CA 0.496 57.859 57.345 0.030 0.000 1.245 416 W CB -0.018 29.432 29.460 -0.017 0.000 1.126 416 W HN 0.607 nan 8.180 nan 0.000 0.545 417 R N 0.440 121.019 120.500 0.132 0.000 2.189 417 R HA -0.046 4.294 4.340 -0.000 0.000 0.223 417 R C 1.653 177.966 176.300 0.023 0.000 1.092 417 R CA 0.842 56.967 56.100 0.043 0.000 0.989 417 R CB -0.012 30.280 30.300 -0.013 0.000 0.876 417 R HN -0.080 nan 8.270 nan 0.000 0.457 418 R N -0.207 120.298 120.500 0.008 0.000 2.388 418 R HA 0.117 4.457 4.340 -0.000 0.000 0.247 418 R C -0.347 175.920 176.300 -0.056 0.000 0.931 418 R CA 0.247 56.333 56.100 -0.024 0.000 1.082 418 R CB 0.893 31.178 30.300 -0.025 0.000 1.135 418 R HN -0.002 nan 8.270 nan 0.000 0.525 419 T N 1.466 115.994 114.554 -0.043 0.000 2.758 419 T HA 0.183 4.533 4.350 -0.000 0.000 0.285 419 T C 0.097 174.751 174.700 -0.076 0.000 0.981 419 T CA -0.444 61.599 62.100 -0.095 0.000 0.965 419 T CB 2.180 70.951 68.868 -0.161 0.000 0.927 419 T HN -0.039 nan 8.240 nan 0.000 0.448 420 K N 2.479 122.772 120.400 -0.179 0.000 2.489 420 K HA -0.002 4.318 4.320 -0.000 0.000 0.278 420 K C -0.249 176.198 176.600 -0.255 0.000 1.000 420 K CA 0.267 56.341 56.287 -0.355 0.000 1.012 420 K CB 0.038 32.208 32.500 -0.550 0.000 0.903 420 K HN 0.698 nan 8.250 nan 0.000 0.485 421 Y N 0.288 120.581 120.300 -0.013 0.000 4.936 421 Y HA -0.337 4.213 4.550 -0.000 0.000 0.260 421 Y C 0.925 176.833 175.900 0.013 0.000 0.928 421 Y CA 1.049 59.137 58.100 -0.020 0.000 1.869 421 Y CB -2.130 36.309 38.460 -0.036 0.000 1.344 421 Y HN 0.624 nan 8.280 nan 0.000 0.521 422 S N -1.615 114.187 115.700 0.170 0.000 3.334 422 S HA 0.109 4.579 4.470 -0.000 0.000 0.224 422 S C 0.825 175.576 174.600 0.251 0.000 0.959 422 S CA 0.153 58.485 58.200 0.220 0.000 0.815 422 S CB 0.524 63.972 63.200 0.413 0.000 0.861 422 S HN 0.411 nan 8.310 nan 0.000 0.596 423 E N 0.978 121.304 120.200 0.210 0.000 2.660 423 E HA -0.171 4.179 4.350 -0.000 0.000 0.260 423 E C -0.449 176.212 176.600 0.102 0.000 1.122 423 E CA 0.712 57.216 56.400 0.173 0.000 0.755 423 E CB -1.256 28.559 29.700 0.191 0.000 1.345 423 E HN 0.272 nan 8.360 nan 0.000 0.421 424 S N -2.792 112.970 115.700 0.104 0.000 2.678 424 S HA 0.514 4.984 4.470 -0.000 0.000 0.290 424 S C 0.086 174.647 174.600 -0.065 0.000 1.047 424 S CA -0.024 58.126 58.200 -0.083 0.000 0.851 424 S CB 1.371 64.422 63.200 -0.249 0.000 1.058 424 S HN 0.290 nan 8.310 nan 0.000 0.451 425 A N 2.122 124.749 122.820 -0.322 0.000 1.975 425 A HA 0.534 4.854 4.320 -0.000 0.000 0.215 425 A C 0.231 177.615 177.584 -0.332 0.000 1.170 425 A CA 1.402 53.098 52.037 -0.568 0.000 0.656 425 A CB -0.395 17.912 19.000 -1.155 0.000 0.821 425 A HN 1.586 nan 8.150 nan 0.000 0.449 426 W N -4.624 116.637 121.300 -0.065 0.000 3.079 426 W HA 0.618 5.278 4.660 -0.000 0.000 0.329 426 W C -0.627 175.854 176.519 -0.064 0.000 1.181 426 W CA -1.216 56.098 57.345 -0.052 0.000 1.160 426 W CB 0.169 29.607 29.460 -0.037 0.000 1.423 426 W HN 0.221 nan 8.180 nan 0.000 0.566 427 A N 1.712 124.680 122.820 0.246 0.000 2.327 427 A HA 0.549 4.869 4.320 -0.000 0.000 0.283 427 A C -0.644 177.004 177.584 0.106 0.000 1.127 427 A CA -0.570 51.465 52.037 -0.002 0.000 0.810 427 A CB 0.420 19.291 19.000 -0.215 0.000 1.066 427 A HN 0.728 nan 8.150 nan 0.000 0.492 428 N N 1.881 120.575 118.700 -0.011 0.000 2.569 428 N HA 0.320 5.060 4.740 -0.000 0.000 0.254 428 N C -1.359 174.166 175.510 0.025 0.000 1.004 428 N CA -0.525 52.581 53.050 0.092 0.000 0.904 428 N CB 0.519 39.082 38.487 0.126 0.000 1.165 428 N HN 0.666 nan 8.380 nan 0.000 0.513 429 W N 3.022 124.395 121.300 0.122 0.000 2.253 429 W HA 0.323 4.982 4.660 -0.000 0.000 0.322 429 W C 0.817 177.379 176.519 0.071 0.000 1.342 429 W CA -0.481 56.927 57.345 0.105 0.000 1.218 429 W CB 0.511 30.040 29.460 0.115 0.000 1.205 429 W HN 0.407 nan 8.180 nan 0.000 0.551 430 A N 4.133 127.125 122.820 0.285 0.000 2.546 430 A HA 0.482 4.802 4.320 -0.000 0.000 0.243 430 A C 0.913 178.605 177.584 0.180 0.000 1.063 430 A CA 0.754 52.902 52.037 0.184 0.000 0.757 430 A CB -0.768 18.319 19.000 0.146 0.000 0.991 430 A HN 1.504 nan 8.150 nan 0.000 0.503 441 T N -2.183 112.213 114.554 -0.264 0.000 2.828 441 T HA 0.468 4.818 4.350 -0.000 0.000 0.290 441 T C -1.293 173.376 174.700 -0.052 0.000 1.019 441 T CA -0.725 61.311 62.100 -0.107 0.000 1.031 441 T CB 0.801 69.638 68.868 -0.052 0.000 1.001 441 T HN -0.071 nan 8.240 nan 0.000 0.531 442 P HA -0.070 nan 4.420 nan 0.000 0.216 442 P C 1.179 178.493 177.300 0.024 0.000 1.150 442 P CA 1.083 64.192 63.100 0.015 0.000 0.843 442 P CB 0.057 31.774 31.700 0.029 0.000 0.787 443 E N -1.868 118.361 120.200 0.049 0.000 2.072 443 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 443 E C 1.985 178.568 176.600 -0.029 0.000 0.982 443 E CA 0.840 57.301 56.400 0.102 0.000 0.803 443 E CB -1.111 28.756 29.700 0.279 0.000 0.755 443 E HN 0.331 nan 8.360 nan 0.000 0.453 444 Y N 1.610 121.587 120.300 -0.537 0.000 2.128 444 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 444 Y C 2.353 178.043 175.900 -0.349 0.000 1.154 444 Y CA 2.144 59.723 58.100 -0.867 0.000 1.149 444 Y CB 0.044 37.811 38.460 -1.155 0.000 0.976 444 Y HN 0.053 nan 8.280 nan 0.000 0.505 445 E N 0.176 120.383 120.200 0.011 0.000 2.077 445 E HA -0.299 4.051 4.350 -0.000 0.000 0.193 445 E C 2.171 178.748 176.600 -0.038 0.000 0.989 445 E CA 1.522 57.926 56.400 0.006 0.000 0.800 445 E CB -0.181 29.542 29.700 0.038 0.000 0.746 445 E HN 0.339 nan 8.360 nan 0.000 0.452 446 K N 0.607 120.998 120.400 -0.015 0.000 2.063 446 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 446 K C 1.834 178.449 176.600 0.024 0.000 1.048 446 K CA 1.354 57.648 56.287 0.012 0.000 0.928 446 K CB -0.242 32.280 32.500 0.038 0.000 0.713 446 K HN 0.198 nan 8.250 nan 0.000 0.442 447 L N 0.706 121.931 121.223 0.004 0.000 2.610 447 L HA 0.042 4.382 4.340 -0.000 0.000 0.232 447 L C 1.544 178.458 176.870 0.072 0.000 1.149 447 L CA 0.118 55.002 54.840 0.074 0.000 0.872 447 L CB -0.132 41.948 42.059 0.035 0.000 0.992 447 L HN 0.168 nan 8.230 nan 0.000 0.447 448 L N -1.130 120.062 121.223 -0.051 0.000 2.395 448 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 448 L C 0.803 177.679 176.870 0.010 0.000 1.130 448 L CA 0.306 55.124 54.840 -0.037 0.000 0.826 448 L CB -0.196 41.808 42.059 -0.092 0.000 0.941 448 L HN 0.178 nan 8.230 nan 0.000 0.451 449 E N 1.391 121.589 120.200 -0.003 0.000 2.301 449 E HA 0.264 4.614 4.350 -0.000 0.000 0.275 449 E C -2.108 174.419 176.600 -0.122 0.000 1.030 449 E CA -2.272 54.094 56.400 -0.056 0.000 0.852 449 E CB 0.499 30.172 29.700 -0.045 0.000 1.060 449 E HN -0.054 nan 8.360 nan 0.000 0.401 450 P HA 0.060 nan 4.420 nan 0.000 0.272 450 P C -0.289 176.821 177.300 -0.316 0.000 1.223 450 P CA -0.269 62.480 63.100 -0.585 0.000 0.784 450 P CB 0.611 31.709 31.700 -1.003 0.000 0.923 451 V N 2.974 122.699 119.914 -0.315 0.000 2.270 451 V HA 0.082 4.202 4.120 -0.000 0.000 0.263 451 V C 1.051 177.047 176.094 -0.162 0.000 1.066 451 V CA 0.234 62.436 62.300 -0.163 0.000 0.857 451 V CB -0.492 31.274 31.823 -0.095 0.000 1.099 451 V HN 0.777 nan 8.190 nan 0.000 0.476 452 D N 4.030 124.356 120.400 -0.125 0.000 4.450 452 D HA -0.323 4.317 4.640 -0.000 0.000 0.209 452 D C 1.307 177.563 176.300 -0.073 0.000 0.603 452 D CA 2.535 56.489 54.000 -0.077 0.000 1.127 452 D CB -0.243 40.532 40.800 -0.041 0.000 0.621 452 D HN 0.583 nan 8.370 nan 0.000 0.431 453 K N -0.117 120.272 120.400 -0.019 0.000 2.373 453 K HA 0.397 4.717 4.320 -0.000 0.000 0.202 453 K C -0.026 176.658 176.600 0.140 0.000 1.025 453 K CA -0.117 56.258 56.287 0.147 0.000 1.115 453 K CB 0.748 33.282 32.500 0.057 0.000 0.858 453 K HN 0.297 nan 8.250 nan 0.000 0.525 454 I N 1.517 122.023 120.570 -0.107 0.000 2.315 454 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 454 I C -0.746 175.111 176.117 -0.433 0.000 1.006 454 I CA -0.793 60.392 61.300 -0.191 0.000 1.265 454 I CB 0.657 38.485 38.000 -0.287 0.000 1.387 454 I HN -0.046 nan 8.210 nan 0.000 0.475 455 Y N 5.555 125.679 120.300 -0.293 0.000 2.352 455 Y HA 0.469 5.019 4.550 0.000 0.000 0.339 455 Y C -0.290 175.410 175.900 -0.334 0.000 0.992 455 Y CA -0.706 57.234 58.100 -0.268 0.000 1.100 455 Y CB 1.442 39.833 38.460 -0.116 0.000 1.192 455 Y HN 0.304 nan 8.280 nan 0.000 0.458 456 F N 2.097 122.124 119.950 0.129 0.000 2.385 456 F HA 0.709 5.236 4.527 -0.000 0.000 0.336 456 F C 0.314 176.149 175.800 0.057 0.000 1.100 456 F CA -0.686 57.372 58.000 0.097 0.000 1.116 456 F CB 1.159 40.217 39.000 0.098 0.000 1.166 456 F HN 0.483 nan 8.300 nan 0.000 0.511 457 A N 1.321 124.280 122.820 0.232 0.000 2.572 457 A HA 0.944 5.264 4.320 -0.000 0.000 0.295 457 A C -0.415 177.213 177.584 0.073 0.000 1.072 457 A CA -0.102 51.978 52.037 0.072 0.000 0.691 457 A CB 1.729 20.741 19.000 0.021 0.000 1.291 457 A HN 1.398 nan 8.150 nan 0.000 0.404 458 G N 0.258 109.039 108.800 -0.031 0.000 2.352 458 G HA2 0.444 4.404 3.960 -0.000 0.000 0.302 458 G HA3 0.444 4.404 3.960 -0.000 0.000 0.302 458 G C -0.139 174.774 174.900 0.022 0.000 1.370 458 G CA 0.475 45.615 45.100 0.067 0.000 0.918 458 G HN 1.170 nan 8.290 nan 0.000 0.610 459 D N -0.660 119.838 120.400 0.164 0.000 2.218 459 D HA -0.171 4.469 4.640 -0.000 0.000 0.204 459 D C 1.703 178.161 176.300 0.265 0.000 0.976 459 D CA 2.022 56.129 54.000 0.178 0.000 0.853 459 D CB -0.626 40.282 40.800 0.180 0.000 0.939 459 D HN 0.702 nan 8.370 nan 0.000 0.481 460 H N 0.578 119.799 119.070 0.251 0.000 2.491 460 H HA 0.008 4.564 4.556 -0.000 0.000 0.290 460 H C 1.324 177.018 175.328 0.610 0.000 1.050 460 H CA 0.380 56.687 56.048 0.431 0.000 1.309 460 H CB -0.654 29.280 29.762 0.286 0.000 1.392 460 H HN 0.219 nan 8.280 nan 0.000 0.554 461 L N 2.369 123.491 121.223 -0.169 0.000 3.036 461 L HA 0.212 4.552 4.340 -0.000 0.000 0.237 461 L C 0.188 177.018 176.870 -0.068 0.000 1.319 461 L CA -0.334 54.324 54.840 -0.302 0.000 1.112 461 L CB 0.093 41.877 42.059 -0.459 0.000 1.480 461 L HN 0.272 nan 8.230 nan 0.000 0.506 462 S N -2.933 112.925 115.700 0.264 0.000 2.685 462 S HA 0.352 4.822 4.470 -0.000 0.000 0.282 462 S C -0.008 174.783 174.600 0.318 0.000 1.159 462 S CA -0.877 57.479 58.200 0.260 0.000 0.833 462 S CB 1.408 64.697 63.200 0.148 0.000 1.151 462 S HN 0.217 nan 8.310 nan 0.000 0.485 463 N N 0.293 119.119 118.700 0.210 0.000 2.276 463 N HA 0.472 5.212 4.740 -0.000 0.000 0.212 463 N C -0.111 175.505 175.510 0.177 0.000 1.127 463 N CA 0.273 53.409 53.050 0.142 0.000 0.834 463 N CB 0.869 39.409 38.487 0.087 0.000 1.014 463 N HN 0.749 nan 8.380 nan 0.000 0.491 464 A N 0.654 123.616 122.820 0.236 0.000 3.365 464 A HA 0.311 4.631 4.320 -0.000 0.000 0.258 464 A C -0.124 177.693 177.584 0.387 0.000 0.964 464 A CA -0.550 51.681 52.037 0.324 0.000 0.988 464 A CB -0.219 18.949 19.000 0.279 0.000 1.193 464 A HN 0.138 nan 8.150 nan 0.000 0.508 465 I N 0.772 121.528 120.570 0.310 0.000 2.710 465 I HA 0.173 4.343 4.170 -0.000 0.000 0.286 465 I C 1.456 177.625 176.117 0.087 0.000 1.181 465 I CA 1.172 62.620 61.300 0.246 0.000 1.430 465 I CB 0.820 38.983 38.000 0.270 0.000 1.367 465 I HN 0.898 nan 8.210 nan 0.000 0.577 466 A N 4.210 127.033 122.820 0.006 0.000 2.945 466 A HA -0.190 4.130 4.320 -0.000 0.000 0.251 466 A C -0.585 176.665 177.584 -0.556 0.000 1.355 466 A CA 0.768 52.636 52.037 -0.282 0.000 0.905 466 A CB -2.142 16.379 19.000 -0.798 0.000 1.104 466 A HN 0.768 nan 8.150 nan 0.000 0.733 467 W N -1.058 120.280 121.300 0.064 0.000 2.883 467 W HA 0.621 5.281 4.660 -0.000 0.000 0.335 467 W C 1.068 177.642 176.519 0.092 0.000 1.083 467 W CA -0.359 57.049 57.345 0.104 0.000 1.233 467 W CB 0.912 30.456 29.460 0.140 0.000 1.412 467 W HN 0.248 nan 8.180 nan 0.000 0.490 468 Q N 0.590 120.603 119.800 0.355 0.000 2.152 468 Q HA -0.306 4.034 4.340 -0.000 0.000 0.206 468 Q C 2.037 178.168 176.000 0.219 0.000 0.985 468 Q CA 1.859 57.816 55.803 0.257 0.000 0.863 468 Q CB -0.264 28.665 28.738 0.318 0.000 0.904 468 Q HN 0.561 nan 8.270 nan 0.000 0.422 469 H N -0.099 119.035 119.070 0.107 0.000 2.357 469 H HA -0.153 4.403 4.556 -0.000 0.000 0.296 469 H C 1.927 177.245 175.328 -0.016 0.000 1.108 469 H CA 1.709 57.711 56.048 -0.077 0.000 1.273 469 H CB -0.075 29.291 29.762 -0.660 0.000 1.367 469 H HN 0.362 nan 8.280 nan 0.000 0.498 470 G N -0.013 108.832 108.800 0.074 0.000 2.421 470 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.216 470 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.216 470 G C 1.970 176.872 174.900 0.003 0.000 1.171 470 G CA 1.169 46.304 45.100 0.058 0.000 0.775 470 G HN 0.569 nan 8.290 nan 0.000 0.543 471 A N 0.442 123.281 122.820 0.030 0.000 1.898 471 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 471 A C 2.445 179.992 177.584 -0.062 0.000 1.181 471 A CA 1.262 53.295 52.037 -0.007 0.000 0.620 471 A CB -0.357 18.641 19.000 -0.004 0.000 0.819 471 A HN 0.354 nan 8.150 nan 0.000 0.442 472 L N -0.199 120.984 121.223 -0.067 0.000 2.072 472 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 472 L C 3.002 179.819 176.870 -0.089 0.000 1.079 472 L CA 1.741 56.529 54.840 -0.088 0.000 0.752 472 L CB -0.980 41.067 42.059 -0.020 0.000 0.906 472 L HN 0.623 nan 8.230 nan 0.000 0.436 473 T N -4.058 110.392 114.554 -0.173 0.000 2.821 473 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 473 T C 2.085 176.718 174.700 -0.112 0.000 1.046 473 T CA 1.359 63.357 62.100 -0.169 0.000 1.139 473 T CB -0.349 68.344 68.868 -0.293 0.000 0.871 473 T HN 0.221 nan 8.240 nan 0.000 0.454 474 S N 1.626 117.268 115.700 -0.097 0.000 2.356 474 S HA -0.006 4.463 4.470 -0.000 0.000 0.223 474 S C 2.516 177.058 174.600 -0.096 0.000 1.032 474 S CA 1.379 59.530 58.200 -0.082 0.000 1.005 474 S CB -1.043 62.115 63.200 -0.070 0.000 0.867 474 S HN 0.742 nan 8.310 nan 0.000 0.449 475 A N 1.709 124.469 122.820 -0.100 0.000 1.892 475 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 475 A C 2.250 179.755 177.584 -0.131 0.000 1.188 475 A CA 1.804 53.770 52.037 -0.119 0.000 0.631 475 A CB -0.731 18.186 19.000 -0.138 0.000 0.822 475 A HN 0.653 nan 8.150 nan 0.000 0.447 476 R N -0.579 119.862 120.500 -0.098 0.000 2.096 476 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 476 R C 1.684 177.876 176.300 -0.180 0.000 1.127 476 R CA 1.401 57.447 56.100 -0.090 0.000 0.968 476 R CB -0.357 29.934 30.300 -0.015 0.000 0.861 476 R HN 0.482 nan 8.270 nan 0.000 0.440 477 D N -0.013 120.261 120.400 -0.210 0.000 2.117 477 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 477 D C 1.932 177.863 176.300 -0.615 0.000 0.987 477 D CA 1.034 54.806 54.000 -0.380 0.000 0.829 477 D CB -0.155 40.496 40.800 -0.248 0.000 0.961 477 D HN -0.012 nan 8.370 nan 0.000 0.460 478 V N 0.551 120.261 119.914 -0.341 0.000 2.358 478 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 478 V C 2.620 178.472 176.094 -0.403 0.000 1.047 478 V CA 0.902 63.032 62.300 -0.283 0.000 1.035 478 V CB -0.322 31.418 31.823 -0.139 0.000 0.658 478 V HN 0.053 nan 8.190 nan 0.000 0.452 479 V N -0.062 119.647 119.914 -0.342 0.000 2.343 479 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 479 V C 2.577 178.489 176.094 -0.304 0.000 1.051 479 V CA 2.652 64.743 62.300 -0.349 0.000 1.036 479 V CB -0.996 30.665 31.823 -0.271 0.000 0.654 479 V HN 0.617 nan 8.190 nan 0.000 0.451 480 T N -1.069 113.317 114.554 -0.281 0.000 2.720 480 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 480 T C 1.657 176.296 174.700 -0.101 0.000 1.037 480 T CA 2.065 64.055 62.100 -0.183 0.000 1.144 480 T CB -0.399 68.343 68.868 -0.209 0.000 0.864 480 T HN 0.688 nan 8.240 nan 0.000 0.444 481 H N 0.212 119.198 119.070 -0.139 0.000 2.357 481 H HA 0.078 4.634 4.556 -0.000 0.000 0.301 481 H C 2.267 177.446 175.328 -0.248 0.000 1.082 481 H CA 0.964 56.936 56.048 -0.127 0.000 1.342 481 H CB -0.160 29.578 29.762 -0.041 0.000 1.389 481 H HN 0.246 nan 8.280 nan 0.000 0.511 482 I N 0.064 120.398 120.570 -0.394 0.000 2.179 482 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 482 I C 2.502 178.434 176.117 -0.308 0.000 1.088 482 I CA 1.494 62.432 61.300 -0.602 0.000 1.357 482 I CB -0.202 37.296 38.000 -0.837 0.000 1.051 482 I HN 0.317 nan 8.210 nan 0.000 0.409 483 H N 1.055 119.973 119.070 -0.254 0.000 2.353 483 H HA -0.158 4.398 4.556 -0.000 0.000 0.300 483 H C 2.094 177.388 175.328 -0.058 0.000 1.090 483 H CA 1.855 57.857 56.048 -0.076 0.000 1.327 483 H CB 0.078 29.815 29.762 -0.041 0.000 1.383 483 H HN 0.316 nan 8.280 nan 0.000 0.508 484 E N -0.152 120.033 120.200 -0.025 0.000 2.106 484 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 484 E C 2.361 178.918 176.600 -0.071 0.000 0.984 484 E CA 0.758 57.131 56.400 -0.046 0.000 0.806 484 E CB -0.015 29.704 29.700 0.033 0.000 0.750 484 E HN 0.393 nan 8.360 nan 0.000 0.458 485 R N 0.813 121.273 120.500 -0.067 0.000 2.073 485 R HA -0.128 4.211 4.340 -0.000 0.000 0.234 485 R C 2.262 178.537 176.300 -0.042 0.000 1.134 485 R CA 1.105 57.184 56.100 -0.035 0.000 0.952 485 R CB -0.148 30.138 30.300 -0.024 0.000 0.850 485 R HN 0.013 nan 8.270 nan 0.000 0.433 486 V N 1.159 121.003 119.914 -0.116 0.000 2.343 486 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 486 V C 2.460 178.447 176.094 -0.177 0.000 1.051 486 V CA 1.921 64.131 62.300 -0.151 0.000 1.036 486 V CB -0.728 30.911 31.823 -0.306 0.000 0.654 486 V HN 0.561 nan 8.190 nan 0.000 0.451 487 A N -0.998 121.688 122.820 -0.223 0.000 1.972 487 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 487 A C 1.545 179.079 177.584 -0.083 0.000 1.169 487 A CA 1.133 53.063 52.037 -0.178 0.000 0.635 487 A CB -0.297 18.584 19.000 -0.199 0.000 0.810 487 A HN 0.657 nan 8.150 nan 0.000 0.446 488 Q N 0.000 119.767 119.800 -0.054 0.000 2.315 488 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 488 Q CA 0.000 55.792 55.803 -0.019 0.000 1.022 488 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481