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 2jb3_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 0.000 176.273 176.300 -0.044 0.000 2.045 4 D CA 0.000 53.977 54.000 -0.039 0.000 0.868 4 D CB 0.000 40.773 40.800 -0.044 0.000 0.688 5 L N 0.681 121.875 121.223 -0.050 0.000 2.027 5 L HA 0.303 4.643 4.340 -0.000 0.000 0.206 5 L C 0.364 177.173 176.870 -0.102 0.000 1.074 5 L CA 1.636 56.441 54.840 -0.058 0.000 0.745 5 L CB -0.273 41.761 42.059 -0.043 0.000 0.898 5 L HN 0.675 nan 8.230 nan 0.000 0.433 6 I N -3.908 116.564 120.570 -0.163 0.000 2.894 6 I HA 0.646 4.816 4.170 -0.000 0.000 0.302 6 I C 0.453 176.440 176.117 -0.217 0.000 1.188 6 I CA -0.851 60.282 61.300 -0.279 0.000 1.014 6 I CB 1.174 38.783 38.000 -0.652 0.000 1.242 6 I HN -0.004 nan 8.210 nan 0.000 0.430 7 G N 2.585 111.323 108.800 -0.103 0.000 2.683 7 G HA2 0.213 4.173 3.960 -0.000 0.000 0.260 7 G HA3 0.213 4.173 3.960 -0.000 0.000 0.260 7 G C -0.269 174.656 174.900 0.041 0.000 1.238 7 G CA -0.626 44.483 45.100 0.015 0.000 0.934 7 G HN 0.595 nan 8.290 nan 0.000 0.534 8 K N -0.053 120.384 120.400 0.063 0.000 2.416 8 K HA 0.130 4.450 4.320 -0.000 0.000 0.283 8 K C 0.256 176.926 176.600 0.117 0.000 1.037 8 K CA -0.304 56.019 56.287 0.061 0.000 0.995 8 K CB 1.342 33.854 32.500 0.020 0.000 0.938 8 K HN 0.181 nan 8.250 nan 0.000 0.475 9 V N 3.222 123.193 119.914 0.095 0.000 2.843 9 V HA -0.023 4.096 4.120 -0.000 0.000 0.305 9 V C 0.028 176.079 176.094 -0.073 0.000 1.065 9 V CA 0.010 62.279 62.300 -0.052 0.000 1.116 9 V CB 0.556 32.091 31.823 -0.480 0.000 0.968 9 V HN 0.575 nan 8.190 nan 0.000 0.487 10 K N 4.042 124.401 120.400 -0.068 0.000 2.156 10 K HA 0.736 5.056 4.320 -0.000 0.000 0.271 10 K C 0.366 177.028 176.600 0.104 0.000 0.995 10 K CA 0.762 57.049 56.287 -0.001 0.000 0.890 10 K CB 1.115 33.612 32.500 -0.006 0.000 1.073 10 K HN 1.234 nan 8.250 nan 0.000 0.454 11 G N 0.709 109.543 108.800 0.056 0.000 2.542 11 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.235 11 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.235 11 G C -0.868 173.983 174.900 -0.083 0.000 1.286 11 G CA -0.272 44.836 45.100 0.013 0.000 0.904 11 G HN 0.612 nan 8.290 nan 0.000 0.577 12 S N 0.294 115.795 115.700 -0.332 0.000 2.530 12 S HA 0.727 5.197 4.470 -0.000 0.000 0.322 12 S C -0.739 173.466 174.600 -0.658 0.000 1.085 12 S CA -0.263 57.737 58.200 -0.333 0.000 1.096 12 S CB 0.499 63.574 63.200 -0.208 0.000 0.988 12 S HN 0.871 nan 8.310 nan 0.000 0.466 13 H N 1.121 120.169 119.070 -0.035 0.000 2.865 13 H HA 0.547 5.103 4.556 -0.000 0.000 0.362 13 H C -0.597 174.834 175.328 0.172 0.000 1.114 13 H CA -0.678 55.408 56.048 0.065 0.000 1.208 13 H CB 1.941 31.725 29.762 0.036 0.000 1.727 13 H HN 0.586 nan 8.280 nan 0.000 0.534 14 S N 1.680 117.550 115.700 0.283 0.000 2.566 14 S HA 0.864 5.333 4.470 -0.000 0.000 0.298 14 S C -1.094 173.653 174.600 0.245 0.000 1.083 14 S CA -0.736 57.595 58.200 0.218 0.000 0.978 14 S CB 1.780 65.037 63.200 0.096 0.000 1.073 14 S HN 0.338 nan 8.310 nan 0.000 0.491 15 V N 1.515 121.530 119.914 0.168 0.000 2.733 15 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 15 V C -0.839 175.283 176.094 0.046 0.000 1.084 15 V CA -0.827 61.541 62.300 0.114 0.000 0.905 15 V CB 1.775 33.619 31.823 0.034 0.000 1.010 15 V HN 0.889 nan 8.190 nan 0.000 0.424 16 V N 6.186 126.119 119.914 0.032 0.000 2.370 16 V HA 0.614 4.734 4.120 -0.000 0.000 0.283 16 V C -0.448 175.628 176.094 -0.030 0.000 1.023 16 V CA -0.126 62.170 62.300 -0.007 0.000 0.857 16 V CB 1.774 33.596 31.823 -0.000 0.000 0.985 16 V HN 0.669 nan 8.190 nan 0.000 0.443 17 V N 8.221 128.095 119.914 -0.067 0.000 2.394 17 V HA 0.433 4.552 4.120 -0.000 0.000 0.282 17 V C -0.296 175.733 176.094 -0.108 0.000 1.031 17 V CA -0.574 61.675 62.300 -0.084 0.000 0.881 17 V CB 1.378 33.139 31.823 -0.103 0.000 0.982 17 V HN 0.709 nan 8.190 nan 0.000 0.451 18 L N 5.004 126.178 121.223 -0.082 0.000 2.264 18 L HA 0.820 5.160 4.340 -0.000 0.000 0.287 18 L C 0.626 177.439 176.870 -0.094 0.000 1.039 18 L CA 0.423 55.208 54.840 -0.091 0.000 0.829 18 L CB 0.841 42.874 42.059 -0.043 0.000 1.211 18 L HN 0.954 nan 8.230 nan 0.000 0.427 19 G N 1.832 110.545 108.800 -0.145 0.000 3.225 19 G HA2 0.156 4.115 3.960 -0.000 0.000 0.686 19 G HA3 0.156 4.115 3.960 -0.000 0.000 0.686 19 G C 0.050 174.852 174.900 -0.163 0.000 1.105 19 G CA -0.564 44.448 45.100 -0.146 0.000 0.831 19 G HN 0.899 nan 8.290 nan 0.000 0.578 20 G N 0.878 109.571 108.800 -0.177 0.000 4.125 20 G HA2 0.688 4.648 3.960 -0.000 0.000 0.301 20 G HA3 0.688 4.648 3.960 -0.000 0.000 0.301 20 G C 0.872 175.687 174.900 -0.142 0.000 1.273 20 G CA 0.925 45.925 45.100 -0.167 0.000 1.095 20 G HN 1.291 nan 8.290 nan 0.000 0.582 21 G N 0.508 109.206 108.800 -0.171 0.000 2.508 21 G HA2 0.437 4.397 3.960 -0.000 0.000 0.278 21 G HA3 0.437 4.397 3.960 -0.000 0.000 0.278 21 G C -1.065 173.636 174.900 -0.332 0.000 1.389 21 G CA -0.894 44.056 45.100 -0.249 0.000 1.050 21 G HN 0.001 nan 8.290 nan 0.000 0.522 22 P HA -0.102 nan 4.420 nan 0.000 0.215 22 P C 2.095 179.241 177.300 -0.257 0.000 1.157 22 P CA 2.383 65.252 63.100 -0.386 0.000 0.868 22 P CB 0.077 31.576 31.700 -0.335 0.000 0.788 23 A N -0.486 122.219 122.820 -0.191 0.000 1.898 23 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 23 A C 2.462 179.938 177.584 -0.179 0.000 1.181 23 A CA 2.013 53.959 52.037 -0.152 0.000 0.620 23 A CB -1.790 17.166 19.000 -0.073 0.000 0.819 23 A HN 0.274 nan 8.150 nan 0.000 0.442 24 G N -0.176 108.519 108.800 -0.175 0.000 2.404 24 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 24 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 24 G C 1.555 176.324 174.900 -0.219 0.000 1.174 24 G CA 0.952 45.949 45.100 -0.171 0.000 0.780 24 G HN 0.409 nan 8.290 nan 0.000 0.537 25 L N 0.007 121.057 121.223 -0.288 0.000 2.083 25 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 25 L C 2.995 179.485 176.870 -0.633 0.000 1.083 25 L CA 0.896 55.504 54.840 -0.386 0.000 0.752 25 L CB -0.598 41.246 42.059 -0.359 0.000 0.899 25 L HN 0.400 nan 8.230 nan 0.000 0.433 26 C N -0.630 118.207 119.300 -0.771 0.000 2.429 26 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 26 C C 3.189 178.072 174.990 -0.179 0.000 1.262 26 C CA 1.380 60.028 59.018 -0.617 0.000 1.733 26 C CB -0.536 26.895 27.740 -0.516 0.000 2.010 26 C HN 0.516 nan 8.230 nan 0.000 0.483 27 S N 0.742 116.331 115.700 -0.184 0.000 2.353 27 S HA -0.136 4.334 4.470 -0.000 0.000 0.222 27 S C 2.196 176.738 174.600 -0.097 0.000 1.035 27 S CA 1.658 59.777 58.200 -0.135 0.000 1.025 27 S CB -0.628 62.481 63.200 -0.152 0.000 0.902 27 S HN 0.845 nan 8.310 nan 0.000 0.440 28 A N 0.751 123.520 122.820 -0.084 0.000 1.902 28 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 28 A C 1.908 179.528 177.584 0.059 0.000 1.181 28 A CA 1.405 53.424 52.037 -0.031 0.000 0.623 28 A CB -0.867 18.110 19.000 -0.038 0.000 0.818 28 A HN 0.496 nan 8.150 nan 0.000 0.443 29 F N 0.990 120.912 119.950 -0.047 0.000 2.095 29 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 29 F C 2.288 178.137 175.800 0.081 0.000 1.104 29 F CA 2.258 60.305 58.000 0.079 0.000 1.232 29 F CB -0.025 39.108 39.000 0.221 0.000 0.987 29 F HN 0.222 nan 8.300 nan 0.000 0.475 30 E N 0.573 120.819 120.200 0.077 0.000 2.072 30 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 30 E C 2.457 178.990 176.600 -0.112 0.000 0.982 30 E CA 1.206 57.574 56.400 -0.054 0.000 0.803 30 E CB -0.734 28.997 29.700 0.053 0.000 0.755 30 E HN 0.463 nan 8.360 nan 0.000 0.453 31 L N 0.948 122.103 121.223 -0.112 0.000 2.042 31 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 31 L C 2.852 179.770 176.870 0.080 0.000 1.076 31 L CA 1.428 56.202 54.840 -0.110 0.000 0.749 31 L CB -0.422 41.493 42.059 -0.239 0.000 0.893 31 L HN 0.165 nan 8.230 nan 0.000 0.432 32 Q N 0.422 120.230 119.800 0.012 0.000 2.124 32 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 32 Q C 2.280 178.264 176.000 -0.025 0.000 0.977 32 Q CA 1.670 57.486 55.803 0.021 0.000 0.850 32 Q CB 0.035 28.772 28.738 -0.002 0.000 0.901 32 Q HN 0.339 nan 8.270 nan 0.000 0.429 33 K N -0.462 119.860 120.400 -0.131 0.000 2.097 33 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 33 K C 1.632 178.191 176.600 -0.069 0.000 1.049 33 K CA 1.162 57.349 56.287 -0.166 0.000 0.933 33 K CB -0.111 32.195 32.500 -0.322 0.000 0.717 33 K HN 0.240 nan 8.250 nan 0.000 0.442 34 A N -0.118 122.698 122.820 -0.006 0.000 2.208 34 A HA 0.178 4.497 4.320 -0.000 0.000 0.209 34 A C 1.255 178.875 177.584 0.060 0.000 1.161 34 A CA 0.913 52.979 52.037 0.048 0.000 0.782 34 A CB -0.191 18.867 19.000 0.097 0.000 0.816 34 A HN 0.553 nan 8.150 nan 0.000 0.477 35 G N -2.467 106.374 108.800 0.068 0.000 2.134 35 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.209 35 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.209 35 G C -0.069 174.823 174.900 -0.012 0.000 0.993 35 G CA -0.052 45.053 45.100 0.010 0.000 0.669 35 G HN 0.389 nan 8.290 nan 0.000 0.519 36 Y N 0.251 120.577 120.300 0.044 0.000 2.379 36 Y HA 0.451 5.000 4.550 -0.000 0.000 0.337 36 Y C 0.984 176.910 175.900 0.043 0.000 1.238 36 Y CA 0.237 58.379 58.100 0.070 0.000 1.405 36 Y CB 0.694 39.193 38.460 0.064 0.000 1.310 36 Y HN 0.124 nan 8.280 nan 0.000 0.569 37 K N 2.799 123.313 120.400 0.191 0.000 2.349 37 K HA 0.451 4.770 4.320 -0.000 0.000 0.288 37 K C -1.455 175.224 176.600 0.132 0.000 1.058 37 K CA -0.367 55.992 56.287 0.121 0.000 0.953 37 K CB 0.153 32.700 32.500 0.079 0.000 0.997 37 K HN 0.470 nan 8.250 nan 0.000 0.477 38 V N 0.793 120.755 119.914 0.081 0.000 2.709 38 V HA 0.721 4.841 4.120 -0.000 0.000 0.308 38 V C -0.983 175.116 176.094 0.008 0.000 1.062 38 V CA -0.525 61.802 62.300 0.045 0.000 0.901 38 V CB 2.000 33.840 31.823 0.029 0.000 1.003 38 V HN 0.729 nan 8.190 nan 0.000 0.425 39 T N 3.703 118.246 114.554 -0.018 0.000 2.879 39 T HA 0.642 4.992 4.350 -0.000 0.000 0.290 39 T C -0.507 174.129 174.700 -0.108 0.000 0.993 39 T CA -0.455 61.610 62.100 -0.057 0.000 0.975 39 T CB 1.617 70.460 68.868 -0.043 0.000 0.981 39 T HN 0.750 nan 8.240 nan 0.000 0.439 40 V N 4.631 124.449 119.914 -0.161 0.000 2.472 40 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 40 V C -0.353 175.546 176.094 -0.325 0.000 1.037 40 V CA -0.818 61.349 62.300 -0.222 0.000 0.908 40 V CB 1.382 33.067 31.823 -0.231 0.000 0.985 40 V HN 0.718 nan 8.190 nan 0.000 0.454 41 L N 4.176 125.196 121.223 -0.338 0.000 2.345 41 L HA 0.609 4.948 4.340 -0.000 0.000 0.274 41 L C -0.507 176.136 176.870 -0.378 0.000 0.999 41 L CA -0.418 54.157 54.840 -0.442 0.000 0.849 41 L CB 1.584 43.345 42.059 -0.496 0.000 1.220 41 L HN 0.586 nan 8.230 nan 0.000 0.422 42 E N 2.082 122.030 120.200 -0.419 0.000 2.158 42 E HA 0.534 4.884 4.350 -0.000 0.000 0.271 42 E C 0.358 176.784 176.600 -0.290 0.000 0.911 42 E CA -0.318 55.885 56.400 -0.328 0.000 0.767 42 E CB 2.116 31.626 29.700 -0.316 0.000 1.120 42 E HN 0.544 nan 8.360 nan 0.000 0.405 43 A N 5.302 127.886 122.820 -0.393 0.000 1.969 43 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 43 A C 1.045 178.376 177.584 -0.422 0.000 1.169 43 A CA 0.839 52.524 52.037 -0.586 0.000 0.635 43 A CB -0.156 18.031 19.000 -1.354 0.000 0.810 43 A HN 0.584 nan 8.150 nan 0.000 0.445 44 R N -0.198 120.146 120.500 -0.260 0.000 2.583 44 R HA 0.412 4.752 4.340 -0.000 0.000 0.268 44 R C 0.660 177.004 176.300 0.073 0.000 1.101 44 R CA 0.384 56.452 56.100 -0.054 0.000 1.180 44 R CB 0.409 30.686 30.300 -0.039 0.000 1.128 44 R HN 0.451 nan 8.270 nan 0.000 0.568 45 T N -1.278 113.299 114.554 0.038 0.000 0.000 45 T HA 0.799 5.149 4.350 -0.000 0.000 0.000 45 T C 0.144 174.759 174.700 -0.140 0.000 0.000 45 T CA -0.626 61.474 62.100 -0.001 0.000 0.000 45 T CB 1.026 69.890 68.868 -0.006 0.000 0.000 45 T HN 0.948 nan 8.240 nan 0.000 0.000 46 R N -0.559 nan 120.500 nan 0.000 0.000 46 R HA 0.587 4.927 4.340 -0.000 0.000 0.000 46 R C -3.292 172.992 176.300 -0.026 0.000 0.000 46 R CA -1.759 54.251 56.100 -0.150 0.000 0.000 46 R CB -0.428 29.866 30.300 -0.010 0.000 0.000 46 R HN 0.543 nan 8.270 nan 0.000 0.000 47 P HA 0.313 nan 4.420 nan 0.000 0.284 47 P C -0.015 177.248 177.300 -0.062 0.000 1.258 47 P CA 0.837 63.945 63.100 0.014 0.000 0.824 47 P CB 1.837 33.512 31.700 -0.043 0.000 1.038 48 G N 0.164 108.923 108.800 -0.069 0.000 2.428 48 G HA2 0.047 4.007 3.960 -0.000 0.000 0.199 48 G HA3 0.047 4.007 3.960 -0.000 0.000 0.199 48 G C 0.660 175.434 174.900 -0.209 0.000 1.005 48 G CA 0.377 45.362 45.100 -0.190 0.000 0.671 48 G HN 0.926 nan 8.290 nan 0.000 0.485 49 G N 0.547 109.300 108.800 -0.078 0.000 2.557 49 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.292 49 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.292 49 G C 0.911 175.848 174.900 0.062 0.000 1.162 49 G CA 1.218 46.295 45.100 -0.038 0.000 0.964 49 G HN 1.091 nan 8.290 nan 0.000 0.541 50 R N 0.120 120.586 120.500 -0.057 0.000 2.323 50 R HA 0.246 4.585 4.340 -0.000 0.000 0.198 50 R C 0.593 176.845 176.300 -0.079 0.000 0.988 50 R CA 0.599 56.549 56.100 -0.250 0.000 1.041 50 R CB 0.040 30.034 30.300 -0.511 0.000 0.926 50 R HN 0.266 nan 8.270 nan 0.000 0.476 51 V N 1.537 121.454 119.914 0.005 0.000 2.356 51 V HA 0.085 4.205 4.120 -0.000 0.000 0.258 51 V C -0.827 175.476 176.094 0.348 0.000 1.065 51 V CA -0.410 61.974 62.300 0.140 0.000 0.935 51 V CB 0.189 32.056 31.823 0.072 0.000 1.061 51 V HN 0.210 nan 8.190 nan 0.000 0.484 52 W N 4.634 126.066 121.300 0.218 0.000 2.830 52 W HA 0.631 5.291 4.660 -0.000 0.000 0.335 52 W C -0.502 176.111 176.519 0.156 0.000 1.043 52 W CA -0.785 56.694 57.345 0.224 0.000 1.239 52 W CB 1.911 31.576 29.460 0.341 0.000 1.378 52 W HN 0.409 nan 8.180 nan 0.000 0.456 53 T N 5.124 119.750 114.554 0.119 0.000 2.772 53 T HA 0.653 5.003 4.350 -0.000 0.000 0.288 53 T C -0.046 174.473 174.700 -0.301 0.000 0.994 53 T CA -0.387 61.651 62.100 -0.103 0.000 0.951 53 T CB 1.083 69.968 68.868 0.029 0.000 0.933 53 T HN 0.554 nan 8.240 nan 0.000 0.447 54 A N 4.794 127.268 122.820 -0.578 0.000 2.354 54 A HA 0.663 4.983 4.320 -0.000 0.000 0.281 54 A C 0.390 177.876 177.584 -0.163 0.000 1.174 54 A CA -0.369 51.283 52.037 -0.641 0.000 0.828 54 A CB 0.275 18.673 19.000 -1.003 0.000 1.099 54 A HN 0.817 nan 8.150 nan 0.000 0.516 55 R N 1.359 121.753 120.500 -0.176 0.000 2.867 55 R HA 0.539 4.879 4.340 -0.000 0.000 0.268 55 R C 0.396 176.625 176.300 -0.118 0.000 1.014 55 R CA -0.566 55.549 56.100 0.024 0.000 0.946 55 R CB 1.714 32.037 30.300 0.039 0.000 1.208 55 R HN 0.868 nan 8.270 nan 0.000 0.477 56 G N -0.324 108.480 108.800 0.007 0.000 2.178 56 G HA2 0.268 4.227 3.960 -0.000 0.000 0.244 56 G HA3 0.268 4.227 3.960 -0.000 0.000 0.244 56 G C 0.912 175.766 174.900 -0.077 0.000 1.213 56 G CA 0.914 45.986 45.100 -0.047 0.000 0.912 56 G HN 0.825 nan 8.290 nan 0.000 0.474 57 G N 1.384 110.120 108.800 -0.107 0.000 2.213 57 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 57 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 57 G C 0.728 175.581 174.900 -0.080 0.000 0.991 57 G CA 0.378 45.434 45.100 -0.073 0.000 0.629 57 G HN 1.214 nan 8.290 nan 0.000 0.517 58 S N 0.862 116.468 115.700 -0.157 0.000 2.533 58 S HA 0.479 4.949 4.470 -0.000 0.000 0.282 58 S C 0.062 174.629 174.600 -0.055 0.000 1.304 58 S CA 0.338 58.462 58.200 -0.127 0.000 1.063 58 S CB 1.679 64.690 63.200 -0.315 0.000 0.881 58 S HN 0.564 nan 8.310 nan 0.000 0.493 59 E N 1.677 121.931 120.200 0.091 0.000 2.272 59 E HA 0.484 4.834 4.350 -0.000 0.000 0.269 59 E C -1.308 175.417 176.600 0.209 0.000 0.877 59 E CA -0.561 55.932 56.400 0.154 0.000 0.755 59 E CB 1.354 31.099 29.700 0.074 0.000 1.192 59 E HN 0.517 nan 8.360 nan 0.000 0.422 60 E N 1.949 122.294 120.200 0.242 0.000 2.304 60 E HA 0.326 4.676 4.350 -0.000 0.000 0.277 60 E C -1.817 174.815 176.600 0.053 0.000 0.898 60 E CA -0.512 55.982 56.400 0.157 0.000 0.764 60 E CB 2.019 31.911 29.700 0.320 0.000 1.216 60 E HN 0.323 nan 8.360 nan 0.000 0.419 61 T N 4.210 118.762 114.554 -0.002 0.000 2.756 61 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 61 T C -0.596 174.067 174.700 -0.063 0.000 0.985 61 T CA -0.819 61.264 62.100 -0.029 0.000 0.955 61 T CB 0.520 69.374 68.868 -0.024 0.000 0.930 61 T HN 0.543 nan 8.240 nan 0.000 0.451 62 D N 2.386 122.745 120.400 -0.068 0.000 2.478 62 D HA 0.179 4.819 4.640 -0.000 0.000 0.274 62 D C 1.211 177.463 176.300 -0.080 0.000 1.234 62 D CA -0.903 53.046 54.000 -0.086 0.000 1.069 62 D CB 0.546 41.298 40.800 -0.080 0.000 1.113 62 D HN 0.318 nan 8.370 nan 0.000 0.571 63 L N -0.526 120.649 121.223 -0.080 0.000 2.551 63 L HA -0.041 4.298 4.340 -0.000 0.000 0.228 63 L C 1.896 178.736 176.870 -0.050 0.000 1.153 63 L CA 0.937 55.733 54.840 -0.074 0.000 0.851 63 L CB -0.421 41.596 42.059 -0.071 0.000 0.959 63 L HN 0.488 nan 8.230 nan 0.000 0.451 64 S N -1.410 114.266 115.700 -0.040 0.000 2.575 64 S HA 0.169 4.639 4.470 -0.000 0.000 0.215 64 S C 1.513 176.098 174.600 -0.026 0.000 0.966 64 S CA 0.356 58.539 58.200 -0.028 0.000 0.911 64 S CB 0.547 63.736 63.200 -0.019 0.000 0.780 64 S HN 0.483 nan 8.310 nan 0.000 0.514 65 G N 1.001 109.782 108.800 -0.033 0.000 2.176 65 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 65 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 65 G C -0.198 174.689 174.900 -0.021 0.000 0.979 65 G CA 0.186 45.270 45.100 -0.027 0.000 0.641 65 G HN 0.723 nan 8.290 nan 0.000 0.530 66 E N 1.274 121.461 120.200 -0.023 0.000 2.290 66 E HA 0.472 4.822 4.350 -0.000 0.000 0.277 66 E C -0.220 176.362 176.600 -0.030 0.000 1.035 66 E CA -0.018 56.371 56.400 -0.020 0.000 0.873 66 E CB 0.353 30.045 29.700 -0.013 0.000 1.029 66 E HN 0.131 nan 8.360 nan 0.000 0.419 67 T N 5.189 119.730 114.554 -0.021 0.000 2.749 67 T HA 0.216 4.566 4.350 -0.000 0.000 0.287 67 T C -0.427 174.256 174.700 -0.028 0.000 0.970 67 T CA -0.543 61.547 62.100 -0.015 0.000 0.980 67 T CB 1.133 70.002 68.868 0.002 0.000 0.924 67 T HN 0.470 nan 8.240 nan 0.000 0.456 68 Q N 2.133 121.908 119.800 -0.041 0.000 2.266 68 Q HA 0.456 4.796 4.340 -0.000 0.000 0.261 68 Q C -0.498 175.574 176.000 0.120 0.000 0.985 68 Q CA -0.823 54.942 55.803 -0.063 0.000 0.873 68 Q CB 1.949 30.464 28.738 -0.371 0.000 1.306 68 Q HN 0.446 nan 8.270 nan 0.000 0.447 69 K N 1.399 121.857 120.400 0.097 0.000 2.559 69 K HA 0.271 4.591 4.320 -0.000 0.000 0.249 69 K C -1.033 175.572 176.600 0.008 0.000 0.958 69 K CA -0.499 55.833 56.287 0.075 0.000 0.901 69 K CB 1.492 34.002 32.500 0.017 0.000 1.124 69 K HN 0.584 nan 8.250 nan 0.000 0.437 70 C N 3.131 122.344 119.300 -0.144 0.000 2.648 70 C HA 0.143 4.603 4.460 -0.000 0.000 0.419 70 C C 1.391 176.178 174.990 -0.339 0.000 1.352 70 C CA 0.286 59.016 59.018 -0.480 0.000 1.816 70 C CB -0.887 26.196 27.740 -1.096 0.000 2.598 70 C HN 0.920 nan 8.230 nan 0.000 0.598 71 T N 2.955 117.323 114.554 -0.309 0.000 3.355 71 T HA 0.324 4.674 4.350 -0.000 0.000 0.276 71 T C -0.255 174.453 174.700 0.014 0.000 1.003 71 T CA -0.401 61.629 62.100 -0.117 0.000 0.943 71 T CB -0.630 68.209 68.868 -0.048 0.000 1.158 71 T HN 0.444 nan 8.240 nan 0.000 0.513 72 F N 2.608 122.530 119.950 -0.048 0.000 2.518 72 F HA 0.426 4.953 4.527 -0.000 0.000 0.359 72 F C 1.340 177.125 175.800 -0.025 0.000 1.118 72 F CA -1.013 56.964 58.000 -0.039 0.000 1.287 72 F CB -0.003 38.990 39.000 -0.011 0.000 1.132 72 F HN 0.128 nan 8.300 nan 0.000 0.587 73 S N 0.769 116.551 115.700 0.137 0.000 2.549 73 S HA -0.094 4.376 4.470 -0.000 0.000 0.278 73 S C 0.228 174.923 174.600 0.159 0.000 1.344 73 S CA -0.589 57.653 58.200 0.070 0.000 1.025 73 S CB 0.016 63.175 63.200 -0.069 0.000 0.851 73 S HN 0.639 nan 8.310 nan 0.000 0.530 74 E N 0.305 120.579 120.200 0.122 0.000 2.493 74 E HA 0.253 4.603 4.350 -0.000 0.000 0.255 74 E C 1.198 177.890 176.600 0.154 0.000 0.999 74 E CA 0.666 57.136 56.400 0.117 0.000 0.934 74 E CB -0.398 29.347 29.700 0.075 0.000 0.940 74 E HN 0.867 nan 8.360 nan 0.000 0.473 75 G N 3.872 112.755 108.800 0.138 0.000 2.195 75 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 75 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 75 G C -0.250 174.708 174.900 0.098 0.000 0.984 75 G CA 0.361 45.538 45.100 0.128 0.000 0.633 75 G HN 0.722 nan 8.290 nan 0.000 0.525 76 H N -0.225 118.894 119.070 0.083 0.000 2.463 76 H HA 0.712 5.267 4.556 -0.000 0.000 0.332 76 H C 0.133 175.509 175.328 0.079 0.000 1.127 76 H CA 0.232 56.240 56.048 -0.066 0.000 1.238 76 H CB 1.045 30.640 29.762 -0.278 0.000 1.478 76 H HN 0.651 nan 8.280 nan 0.000 0.499 77 F N 0.409 120.339 119.950 -0.035 0.000 2.773 77 F HA 0.502 5.029 4.527 -0.000 0.000 0.314 77 F C -2.100 173.709 175.800 0.016 0.000 1.160 77 F CA -1.459 56.559 58.000 0.030 0.000 0.920 77 F CB 1.180 40.199 39.000 0.031 0.000 1.323 77 F HN 0.496 nan 8.300 nan 0.000 0.457 78 Y N -0.327 119.997 120.300 0.040 0.000 2.544 78 Y HA 0.578 5.127 4.550 -0.000 0.000 0.342 78 Y C -1.878 174.164 175.900 0.236 0.000 1.062 78 Y CA -1.592 56.526 58.100 0.030 0.000 1.023 78 Y CB 1.344 39.735 38.460 -0.115 0.000 1.308 78 Y HN 0.734 nan 8.280 nan 0.000 0.457 79 N N 2.392 121.248 118.700 0.261 0.000 2.416 79 N HA 0.217 4.957 4.740 -0.000 0.000 0.265 79 N C 0.427 175.955 175.510 0.031 0.000 1.195 79 N CA -0.300 52.833 53.050 0.139 0.000 0.943 79 N CB 1.679 40.334 38.487 0.281 0.000 1.115 79 N HN 0.593 nan 8.380 nan 0.000 0.481 80 V N 1.466 121.270 119.914 -0.183 0.000 2.667 80 V HA -0.017 4.103 4.120 -0.000 0.000 0.252 80 V C 1.574 177.965 176.094 0.496 0.000 1.065 80 V CA 1.669 63.982 62.300 0.022 0.000 1.083 80 V CB -0.649 30.970 31.823 -0.339 0.000 0.692 80 V HN 0.800 nan 8.190 nan 0.000 0.468 81 G N -0.872 108.202 108.800 0.456 0.000 3.434 81 G HA2 0.536 4.496 3.960 -0.000 0.000 0.197 81 G HA3 0.536 4.496 3.960 -0.000 0.000 0.197 81 G C 0.289 175.228 174.900 0.065 0.000 1.559 81 G CA 0.096 45.346 45.100 0.249 0.000 0.852 81 G HN 0.473 nan 8.290 nan 0.000 0.682 82 A N -0.684 122.154 122.820 0.030 0.000 2.567 82 A HA 0.461 4.781 4.320 -0.000 0.000 0.240 82 A C 0.901 178.527 177.584 0.070 0.000 1.053 82 A CA 1.503 53.553 52.037 0.021 0.000 0.755 82 A CB 0.282 19.325 19.000 0.072 0.000 0.978 82 A HN 0.698 nan 8.150 nan 0.000 0.507 83 T N 1.066 115.621 114.554 0.002 0.000 3.029 83 T HA 0.190 4.540 4.350 -0.000 0.000 0.256 83 T C 0.389 174.939 174.700 -0.248 0.000 0.914 83 T CA 0.475 62.577 62.100 0.003 0.000 0.880 83 T CB -0.020 68.909 68.868 0.102 0.000 1.246 83 T HN 0.937 nan 8.240 nan 0.000 0.523 84 R N 0.848 121.160 120.500 -0.314 0.000 2.673 84 R HA 0.740 5.080 4.340 -0.000 0.000 0.281 84 R C -1.707 174.595 176.300 0.003 0.000 0.991 84 R CA -0.855 54.968 56.100 -0.461 0.000 0.896 84 R CB 1.394 31.104 30.300 -0.984 0.000 1.201 84 R HN 0.181 nan 8.270 nan 0.000 0.457 85 I N 2.699 123.271 120.570 0.004 0.000 2.466 85 I HA 0.431 4.601 4.170 -0.000 0.000 0.289 85 I C -2.350 173.736 176.117 -0.052 0.000 1.026 85 I CA -2.574 58.773 61.300 0.079 0.000 1.078 85 I CB 2.641 40.737 38.000 0.161 0.000 1.249 85 I HN 0.477 nan 8.210 nan 0.000 0.429 86 P HA 0.244 nan 4.420 nan 0.000 0.281 86 P C -0.353 176.789 177.300 -0.265 0.000 1.264 86 P CA -0.447 62.415 63.100 -0.397 0.000 0.824 86 P CB 1.057 32.274 31.700 -0.805 0.000 1.092 87 Q N 0.264 119.971 119.800 -0.156 0.000 2.291 87 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 87 Q C 1.852 177.788 176.000 -0.107 0.000 0.976 87 Q CA 1.954 57.709 55.803 -0.080 0.000 0.875 87 Q CB -0.362 28.352 28.738 -0.040 0.000 0.927 87 Q HN 0.568 nan 8.270 nan 0.000 0.450 88 S N -1.136 114.454 115.700 -0.184 0.000 2.496 88 S HA -0.035 4.434 4.470 -0.000 0.000 0.224 88 S C 0.383 174.999 174.600 0.028 0.000 0.996 88 S CA -0.190 57.964 58.200 -0.077 0.000 0.927 88 S CB -0.213 62.940 63.200 -0.080 0.000 0.774 88 S HN 0.348 nan 8.310 nan 0.000 0.524 89 H N 0.485 119.462 119.070 -0.154 0.000 2.732 89 H HA 0.274 4.830 4.556 -0.000 0.000 0.351 89 H C 0.911 176.359 175.328 0.200 0.000 1.090 89 H CA -0.061 55.967 56.048 -0.035 0.000 1.431 89 H CB 1.038 30.810 29.762 0.018 0.000 1.447 89 H HN 0.143 nan 8.280 nan 0.000 0.582 90 I N 2.304 123.216 120.570 0.570 0.000 3.001 90 I HA -0.196 3.973 4.170 -0.000 0.000 0.268 90 I C 1.415 177.763 176.117 0.385 0.000 1.267 90 I CA 0.631 62.154 61.300 0.372 0.000 1.472 90 I CB 0.028 38.220 38.000 0.319 0.000 1.089 90 I HN 0.663 nan 8.210 nan 0.000 0.468 91 T N 1.240 116.026 114.554 0.386 0.000 2.759 91 T HA -0.204 4.145 4.350 -0.000 0.000 0.269 91 T C 1.816 176.650 174.700 0.223 0.000 1.042 91 T CA 1.368 63.664 62.100 0.327 0.000 1.140 91 T CB -0.256 68.812 68.868 0.334 0.000 0.864 91 T HN 0.353 nan 8.240 nan 0.000 0.455 92 L N 0.686 122.011 121.223 0.170 0.000 2.109 92 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 92 L C 2.325 179.206 176.870 0.018 0.000 1.086 92 L CA 1.310 56.188 54.840 0.064 0.000 0.760 92 L CB -0.698 41.364 42.059 0.006 0.000 0.910 92 L HN 0.210 nan 8.230 nan 0.000 0.437 93 D N -0.568 119.848 120.400 0.028 0.000 2.117 93 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 93 D C 1.980 178.200 176.300 -0.133 0.000 0.987 93 D CA 1.430 55.388 54.000 -0.070 0.000 0.829 93 D CB -0.263 40.473 40.800 -0.107 0.000 0.961 93 D HN 0.235 nan 8.370 nan 0.000 0.460 94 Y N 0.286 120.564 120.300 -0.037 0.000 2.293 94 Y HA -0.147 4.402 4.550 -0.000 0.000 0.291 94 Y C 2.422 178.179 175.900 -0.239 0.000 1.137 94 Y CA 0.449 58.459 58.100 -0.149 0.000 1.202 94 Y CB -0.398 37.982 38.460 -0.133 0.000 0.990 94 Y HN 0.087 nan 8.280 nan 0.000 0.537 95 C N -0.561 118.724 119.300 -0.026 0.000 2.425 95 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 95 C C 2.855 177.788 174.990 -0.094 0.000 1.280 95 C CA 0.997 59.964 59.018 -0.085 0.000 1.744 95 C CB -0.946 26.770 27.740 -0.040 0.000 1.989 95 C HN 0.489 nan 8.230 nan 0.000 0.491 96 R N 1.093 121.543 120.500 -0.083 0.000 2.066 96 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 96 R C 2.171 178.419 176.300 -0.087 0.000 1.131 96 R CA 1.881 57.932 56.100 -0.082 0.000 0.955 96 R CB -0.354 29.898 30.300 -0.080 0.000 0.851 96 R HN 0.468 nan 8.270 nan 0.000 0.432 97 E N 0.814 120.948 120.200 -0.109 0.000 2.110 97 E HA -0.156 4.193 4.350 -0.000 0.000 0.193 97 E C 1.765 178.314 176.600 -0.086 0.000 0.988 97 E CA 1.452 57.801 56.400 -0.085 0.000 0.804 97 E CB -0.194 29.442 29.700 -0.106 0.000 0.745 97 E HN 0.458 nan 8.360 nan 0.000 0.458 98 L N -1.203 119.917 121.223 -0.172 0.000 2.509 98 L HA 0.266 4.606 4.340 -0.000 0.000 0.222 98 L C 1.328 178.119 176.870 -0.131 0.000 1.123 98 L CA 0.304 55.017 54.840 -0.212 0.000 0.856 98 L CB -0.072 41.741 42.059 -0.411 0.000 0.985 98 L HN 0.391 nan 8.230 nan 0.000 0.456 99 G N 0.823 109.564 108.800 -0.098 0.000 2.182 99 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 99 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 99 G C -0.056 174.803 174.900 -0.069 0.000 1.042 99 G CA -0.015 45.045 45.100 -0.067 0.000 0.775 99 G HN 0.104 nan 8.290 nan 0.000 0.501 100 V N 0.865 120.727 119.914 -0.086 0.000 2.318 100 V HA 0.329 4.449 4.120 -0.000 0.000 0.271 100 V C 0.846 176.914 176.094 -0.045 0.000 1.030 100 V CA -0.696 61.559 62.300 -0.076 0.000 0.844 100 V CB 1.492 33.247 31.823 -0.113 0.000 1.015 100 V HN 0.499 nan 8.190 nan 0.000 0.460 101 E N 4.957 125.142 120.200 -0.026 0.000 2.465 101 E HA 0.186 4.536 4.350 -0.000 0.000 0.260 101 E C -0.312 176.302 176.600 0.024 0.000 0.980 101 E CA -0.108 56.290 56.400 -0.003 0.000 0.927 101 E CB 0.667 30.368 29.700 0.002 0.000 0.934 101 E HN 0.759 nan 8.360 nan 0.000 0.459 102 I N 0.763 121.359 120.570 0.043 0.000 2.750 102 I HA 0.485 4.655 4.170 -0.000 0.000 0.308 102 I C -0.663 175.547 176.117 0.156 0.000 1.016 102 I CA -0.933 60.429 61.300 0.103 0.000 1.098 102 I CB 1.836 39.900 38.000 0.108 0.000 1.279 102 I HN 0.538 nan 8.210 nan 0.000 0.454 103 Q N 2.485 122.421 119.800 0.226 0.000 2.544 103 Q HA 0.663 5.003 4.340 -0.000 0.000 0.291 103 Q C -0.516 175.646 176.000 0.270 0.000 1.068 103 Q CA -1.131 54.816 55.803 0.240 0.000 0.785 103 Q CB 1.494 30.337 28.738 0.176 0.000 1.481 103 Q HN 0.896 nan 8.270 nan 0.000 0.430 104 G N 0.362 109.259 108.800 0.162 0.000 2.441 104 G HA2 0.336 4.296 3.960 -0.000 0.000 0.243 104 G HA3 0.336 4.296 3.960 -0.000 0.000 0.243 104 G C -1.521 173.326 174.900 -0.089 0.000 1.281 104 G CA -0.303 44.721 45.100 -0.127 0.000 0.854 104 G HN 0.458 nan 8.290 nan 0.000 0.560 105 F N 1.811 121.552 119.950 -0.349 0.000 2.443 105 F HA 0.582 5.109 4.527 -0.000 0.000 0.335 105 F C 0.717 176.452 175.800 -0.108 0.000 1.104 105 F CA -0.901 56.946 58.000 -0.256 0.000 1.013 105 F CB 1.856 40.684 39.000 -0.286 0.000 1.136 105 F HN 0.526 nan 8.300 nan 0.000 0.470 106 G N 3.975 112.468 108.800 -0.512 0.000 2.770 106 G HA2 0.029 3.989 3.960 -0.000 0.000 0.307 106 G HA3 0.029 3.989 3.960 -0.000 0.000 0.307 106 G C 0.099 174.922 174.900 -0.128 0.000 0.863 106 G CA -0.369 44.599 45.100 -0.220 0.000 1.595 106 G HN 0.677 nan 8.290 nan 0.000 0.496 107 N N 0.608 119.402 118.700 0.157 0.000 2.268 107 N HA 0.074 4.814 4.740 -0.000 0.000 0.204 107 N C 0.213 175.853 175.510 0.217 0.000 1.124 107 N CA 0.078 53.333 53.050 0.342 0.000 0.838 107 N CB 0.259 39.003 38.487 0.429 0.000 0.994 107 N HN 0.643 nan 8.380 nan 0.000 0.489 108 Q N 0.090 119.942 119.800 0.086 0.000 2.378 108 Q HA 0.308 4.648 4.340 -0.000 0.000 0.262 108 Q C -2.193 173.788 176.000 -0.030 0.000 0.978 108 Q CA -0.693 55.104 55.803 -0.009 0.000 0.918 108 Q CB 1.006 29.737 28.738 -0.012 0.000 1.415 108 Q HN 0.029 nan 8.270 nan 0.000 0.409 109 N N 1.562 120.215 118.700 -0.079 0.000 2.369 109 N HA 0.440 5.180 4.740 -0.000 0.000 0.287 109 N C -0.530 175.002 175.510 0.036 0.000 1.067 109 N CA 0.372 53.425 53.050 0.005 0.000 0.888 109 N CB 2.120 40.647 38.487 0.066 0.000 1.616 109 N HN 0.640 nan 8.380 nan 0.000 0.482 110 A N 2.966 125.828 122.820 0.070 0.000 2.066 110 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 110 A C 1.259 178.967 177.584 0.206 0.000 1.157 110 A CA 1.109 53.222 52.037 0.127 0.000 0.670 110 A CB -0.291 18.760 19.000 0.085 0.000 0.804 110 A HN 0.833 nan 8.150 nan 0.000 0.453 111 N N -0.715 118.093 118.700 0.181 0.000 2.282 111 N HA 0.007 4.747 4.740 -0.000 0.000 0.185 111 N C 0.298 175.919 175.510 0.185 0.000 1.099 111 N CA 0.475 53.639 53.050 0.190 0.000 0.878 111 N CB 0.303 38.867 38.487 0.128 0.000 0.993 111 N HN 0.571 nan 8.380 nan 0.000 0.481 112 T N -0.881 113.798 114.554 0.209 0.000 2.813 112 T HA 0.231 4.581 4.350 -0.000 0.000 0.297 112 T C -0.124 174.785 174.700 0.349 0.000 1.036 112 T CA -0.208 61.994 62.100 0.169 0.000 1.044 112 T CB 0.547 69.603 68.868 0.313 0.000 0.993 112 T HN -0.175 nan 8.240 nan 0.000 0.535 113 F N 0.431 120.477 119.950 0.160 0.000 2.470 113 F HA 0.577 5.104 4.527 -0.000 0.000 0.329 113 F C 0.400 176.035 175.800 -0.275 0.000 1.072 113 F CA -1.975 55.974 58.000 -0.085 0.000 0.989 113 F CB 1.374 40.273 39.000 -0.170 0.000 1.193 113 F HN 0.644 nan 8.300 nan 0.000 0.481 114 V N 0.515 120.270 119.914 -0.264 0.000 2.630 114 V HA 0.678 4.798 4.120 -0.000 0.000 0.305 114 V C -0.732 175.013 176.094 -0.580 0.000 1.046 114 V CA -0.549 61.426 62.300 -0.541 0.000 0.934 114 V CB 1.825 33.309 31.823 -0.565 0.000 1.003 114 V HN 0.829 nan 8.190 nan 0.000 0.451 115 N N 2.537 120.687 118.700 -0.917 0.000 2.699 115 N HA 0.388 5.128 4.740 -0.000 0.000 0.271 115 N C -2.202 172.947 175.510 -0.602 0.000 1.216 115 N CA -0.184 52.514 53.050 -0.588 0.000 0.844 115 N CB 1.534 39.848 38.487 -0.289 0.000 1.462 115 N HN 0.794 nan 8.380 nan 0.000 0.555 116 Y N 0.190 120.439 120.300 -0.085 0.000 2.536 116 Y HA 0.426 4.976 4.550 -0.000 0.000 0.347 116 Y C 0.360 176.213 175.900 -0.078 0.000 1.000 116 Y CA -0.862 57.191 58.100 -0.078 0.000 1.051 116 Y CB 1.131 39.535 38.460 -0.093 0.000 1.259 116 Y HN 0.204 nan 8.280 nan 0.000 0.468 117 Q N 1.840 121.703 119.800 0.105 0.000 2.288 117 Q HA 0.563 4.903 4.340 -0.000 0.000 0.254 117 Q C -0.418 175.589 176.000 0.011 0.000 0.932 117 Q CA -0.258 55.563 55.803 0.029 0.000 0.902 117 Q CB 1.659 30.405 28.738 0.013 0.000 1.203 117 Q HN 0.876 nan 8.270 nan 0.000 0.415 118 S N -0.460 115.231 115.700 -0.015 0.000 2.656 118 S HA 0.215 4.685 4.470 -0.000 0.000 0.273 118 S C -0.590 173.989 174.600 -0.036 0.000 1.168 118 S CA -0.928 57.252 58.200 -0.033 0.000 0.817 118 S CB 1.183 64.353 63.200 -0.049 0.000 1.146 118 S HN 0.419 nan 8.310 nan 0.000 0.475 119 D N 1.616 121.993 120.400 -0.039 0.000 2.870 119 D HA 0.315 4.955 4.640 -0.000 0.000 0.241 119 D C 0.420 176.696 176.300 -0.039 0.000 1.234 119 D CA 0.314 54.293 54.000 -0.034 0.000 0.844 119 D CB -0.604 40.178 40.800 -0.031 0.000 1.051 119 D HN 0.730 nan 8.370 nan 0.000 0.469 120 T N -4.451 110.075 114.554 -0.046 0.000 2.831 120 T HA 0.317 4.666 4.350 -0.000 0.000 0.287 120 T C 1.256 175.929 174.700 -0.045 0.000 1.070 120 T CA -0.181 61.888 62.100 -0.052 0.000 1.010 120 T CB 1.125 69.944 68.868 -0.081 0.000 1.264 120 T HN -0.109 nan 8.240 nan 0.000 0.532 121 S N -0.226 115.452 115.700 -0.037 0.000 2.555 121 S HA 0.017 4.487 4.470 -0.000 0.000 0.230 121 S C 1.475 176.055 174.600 -0.034 0.000 0.978 121 S CA 0.209 58.398 58.200 -0.019 0.000 0.934 121 S CB -0.756 62.451 63.200 0.012 0.000 0.766 121 S HN 0.504 nan 8.310 nan 0.000 0.533 122 L N 1.849 123.019 121.223 -0.090 0.000 2.599 122 L HA 0.310 4.650 4.340 -0.000 0.000 0.230 122 L C 1.265 178.074 176.870 -0.100 0.000 1.141 122 L CA 0.268 55.022 54.840 -0.143 0.000 0.877 122 L CB -0.674 41.195 42.059 -0.315 0.000 1.009 122 L HN 0.232 nan 8.230 nan 0.000 0.447 123 S N 0.367 116.027 115.700 -0.066 0.000 2.509 123 S HA 0.322 4.792 4.470 -0.000 0.000 0.287 123 S C 1.410 175.981 174.600 -0.048 0.000 1.248 123 S CA 0.512 58.685 58.200 -0.046 0.000 1.089 123 S CB -0.247 62.932 63.200 -0.034 0.000 0.900 123 S HN 0.696 nan 8.310 nan 0.000 0.496 124 G N 3.355 112.124 108.800 -0.052 0.000 2.153 124 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.252 124 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.252 124 G C -0.079 174.767 174.900 -0.089 0.000 0.994 124 G CA 0.653 45.715 45.100 -0.064 0.000 0.698 124 G HN 0.847 nan 8.290 nan 0.000 0.521 125 Q N 0.418 120.154 119.800 -0.106 0.000 2.256 125 Q HA 0.637 4.977 4.340 -0.000 0.000 0.257 125 Q C -0.215 175.675 176.000 -0.183 0.000 0.936 125 Q CA -0.485 55.247 55.803 -0.118 0.000 0.903 125 Q CB 1.036 29.732 28.738 -0.070 0.000 1.263 125 Q HN 0.158 nan 8.270 nan 0.000 0.440 126 S N 2.451 118.000 115.700 -0.251 0.000 2.499 126 S HA 0.396 4.866 4.470 -0.000 0.000 0.275 126 S C -0.781 173.574 174.600 -0.407 0.000 1.257 126 S CA -0.547 57.411 58.200 -0.402 0.000 1.050 126 S CB 0.946 63.750 63.200 -0.661 0.000 0.937 126 S HN 0.461 nan 8.310 nan 0.000 0.490 127 V N 3.442 123.187 119.914 -0.282 0.000 2.656 127 V HA 0.440 4.560 4.120 -0.000 0.000 0.307 127 V C 0.523 176.595 176.094 -0.037 0.000 1.051 127 V CA -1.113 61.121 62.300 -0.111 0.000 0.893 127 V CB 2.059 33.912 31.823 0.049 0.000 0.999 127 V HN 0.959 nan 8.190 nan 0.000 0.426 128 T N 0.672 115.269 114.554 0.072 0.000 2.900 128 T HA 0.162 4.512 4.350 -0.000 0.000 0.307 128 T C 0.922 175.734 174.700 0.187 0.000 1.065 128 T CA 0.194 62.441 62.100 0.245 0.000 1.105 128 T CB 0.330 69.352 68.868 0.256 0.000 0.979 128 T HN 0.479 nan 8.240 nan 0.000 0.544 129 Y N 1.562 121.979 120.300 0.194 0.000 2.193 129 Y HA -0.194 4.356 4.550 -0.000 0.000 0.285 129 Y C 2.923 178.849 175.900 0.044 0.000 1.166 129 Y CA 2.029 60.209 58.100 0.133 0.000 1.181 129 Y CB -0.285 38.236 38.460 0.101 0.000 0.976 129 Y HN 0.718 nan 8.280 nan 0.000 0.520 130 R N -0.185 120.441 120.500 0.210 0.000 2.148 130 R HA 0.026 4.365 4.340 -0.000 0.000 0.223 130 R C 2.216 178.560 176.300 0.075 0.000 1.088 130 R CA 1.054 57.217 56.100 0.105 0.000 0.985 130 R CB -0.655 29.702 30.300 0.095 0.000 0.880 130 R HN 0.171 nan 8.270 nan 0.000 0.451 131 A N 1.742 124.624 122.820 0.104 0.000 1.872 131 A HA 0.124 4.443 4.320 -0.000 0.000 0.214 131 A C 2.534 180.206 177.584 0.147 0.000 1.187 131 A CA 1.220 53.318 52.037 0.102 0.000 0.614 131 A CB -0.752 18.308 19.000 0.101 0.000 0.826 131 A HN 0.478 nan 8.150 nan 0.000 0.442 132 A N -0.072 122.858 122.820 0.183 0.000 1.902 132 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 132 A C 2.134 179.841 177.584 0.206 0.000 1.181 132 A CA 1.899 54.086 52.037 0.250 0.000 0.623 132 A CB -0.440 18.755 19.000 0.325 0.000 0.818 132 A HN 0.530 nan 8.150 nan 0.000 0.443 133 K N -0.474 119.911 120.400 -0.025 0.000 2.025 133 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 133 K C 2.385 178.789 176.600 -0.327 0.000 1.049 133 K CA 1.072 57.059 56.287 -0.500 0.000 0.933 133 K CB -0.363 31.846 32.500 -0.485 0.000 0.714 133 K HN 0.422 nan 8.250 nan 0.000 0.438 134 A N 2.011 124.762 122.820 -0.116 0.000 1.917 134 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 134 A C 1.636 179.033 177.584 -0.312 0.000 1.182 134 A CA 2.214 54.187 52.037 -0.108 0.000 0.633 134 A CB -0.538 18.471 19.000 0.015 0.000 0.819 134 A HN 0.211 nan 8.150 nan 0.000 0.448 135 D N -0.990 119.314 120.400 -0.161 0.000 2.103 135 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 135 D C 2.129 178.307 176.300 -0.203 0.000 0.978 135 D CA 1.800 55.677 54.000 -0.205 0.000 0.829 135 D CB -0.697 40.252 40.800 0.247 0.000 0.981 135 D HN 0.387 nan 8.370 nan 0.000 0.464 136 T N 0.444 114.950 114.554 -0.080 0.000 2.708 136 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 136 T C 1.623 176.323 174.700 0.001 0.000 1.037 136 T CA 0.912 62.997 62.100 -0.025 0.000 1.146 136 T CB -0.347 68.510 68.868 -0.018 0.000 0.865 136 T HN 0.064 nan 8.240 nan 0.000 0.435 137 F N 1.276 121.220 119.950 -0.009 0.000 2.367 137 F HA 0.254 4.781 4.527 -0.000 0.000 0.298 137 F C 2.569 178.238 175.800 -0.219 0.000 1.094 137 F CA -0.048 57.931 58.000 -0.036 0.000 1.409 137 F CB -1.347 37.531 39.000 -0.203 0.000 1.064 137 F HN 0.197 nan 8.300 nan 0.000 0.528 138 G N -0.755 107.779 108.800 -0.443 0.000 2.421 138 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 138 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 138 G C 1.439 176.049 174.900 -0.482 0.000 1.171 138 G CA 0.760 45.332 45.100 -0.880 0.000 0.775 138 G HN 0.282 nan 8.290 nan 0.000 0.543 139 Y N -0.213 119.939 120.300 -0.246 0.000 2.263 139 Y HA 0.131 4.681 4.550 -0.000 0.000 0.292 139 Y C 2.809 178.753 175.900 0.073 0.000 1.130 139 Y CA 0.969 59.074 58.100 0.007 0.000 1.179 139 Y CB -0.411 38.071 38.460 0.036 0.000 0.998 139 Y HN 0.158 nan 8.280 nan 0.000 0.532 140 M N -0.807 118.940 119.600 0.244 0.000 2.117 140 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 140 M C 2.023 178.460 176.300 0.228 0.000 1.065 140 M CA 1.983 57.433 55.300 0.251 0.000 1.114 140 M CB -0.100 32.704 32.600 0.339 0.000 1.361 140 M HN 0.123 nan 8.290 nan 0.000 0.408 141 S N 0.211 116.045 115.700 0.222 0.000 2.383 141 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 141 S C 1.664 176.358 174.600 0.157 0.000 1.026 141 S CA 1.498 59.816 58.200 0.196 0.000 0.981 141 S CB -0.374 62.932 63.200 0.177 0.000 0.818 141 S HN 0.593 nan 8.310 nan 0.000 0.472 142 E N 1.209 121.505 120.200 0.160 0.000 2.051 142 E HA -0.139 4.210 4.350 -0.000 0.000 0.192 142 E C 1.932 178.624 176.600 0.153 0.000 0.991 142 E CA 0.958 57.458 56.400 0.166 0.000 0.799 142 E CB -0.159 29.678 29.700 0.227 0.000 0.748 142 E HN 0.426 nan 8.360 nan 0.000 0.449 143 L N 0.419 121.741 121.223 0.164 0.000 2.093 143 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 143 L C 2.629 179.565 176.870 0.111 0.000 1.085 143 L CA 0.367 55.286 54.840 0.131 0.000 0.755 143 L CB -0.318 41.819 42.059 0.131 0.000 0.904 143 L HN 0.269 nan 8.230 nan 0.000 0.435 144 L N 0.163 121.459 121.223 0.122 0.000 2.109 144 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 144 L C 2.459 179.387 176.870 0.097 0.000 1.086 144 L CA 1.736 56.640 54.840 0.107 0.000 0.760 144 L CB -0.632 41.500 42.059 0.122 0.000 0.910 144 L HN 0.117 nan 8.230 nan 0.000 0.437 145 K N -0.479 119.985 120.400 0.106 0.000 2.097 145 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 145 K C 2.277 178.923 176.600 0.077 0.000 1.049 145 K CA 1.469 57.811 56.287 0.092 0.000 0.933 145 K CB -0.065 32.492 32.500 0.095 0.000 0.717 145 K HN 0.297 nan 8.250 nan 0.000 0.442 146 K N 0.165 120.613 120.400 0.081 0.000 2.026 146 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 146 K C 1.986 178.620 176.600 0.057 0.000 1.048 146 K CA 1.268 57.596 56.287 0.068 0.000 0.929 146 K CB -0.190 32.354 32.500 0.074 0.000 0.713 146 K HN 0.183 nan 8.250 nan 0.000 0.439 147 A N 0.689 123.544 122.820 0.059 0.000 1.902 147 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 147 A C 2.189 179.799 177.584 0.044 0.000 1.181 147 A CA 2.241 54.307 52.037 0.049 0.000 0.623 147 A CB -1.063 17.967 19.000 0.051 0.000 0.818 147 A HN 0.466 nan 8.150 nan 0.000 0.443 148 T N 0.278 114.862 114.554 0.049 0.000 2.708 148 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 148 T C 1.502 176.226 174.700 0.039 0.000 1.037 148 T CA 1.612 63.738 62.100 0.044 0.000 1.146 148 T CB -0.451 68.449 68.868 0.052 0.000 0.865 148 T HN 0.471 nan 8.240 nan 0.000 0.435 149 D N 1.288 121.714 120.400 0.043 0.000 2.144 149 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 149 D C 2.209 178.529 176.300 0.032 0.000 0.984 149 D CA 0.923 54.946 54.000 0.037 0.000 0.834 149 D CB -0.292 40.533 40.800 0.041 0.000 0.955 149 D HN 0.462 nan 8.370 nan 0.000 0.465 150 Q N -0.710 119.109 119.800 0.033 0.000 2.472 150 Q HA 0.143 4.483 4.340 -0.000 0.000 0.208 150 Q C 1.109 177.123 176.000 0.024 0.000 0.958 150 Q CA 0.660 56.480 55.803 0.028 0.000 0.932 150 Q CB 0.419 29.175 28.738 0.030 0.000 1.007 150 Q HN 0.342 nan 8.270 nan 0.000 0.508 151 G N -0.086 108.729 108.800 0.024 0.000 2.157 151 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.248 151 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.248 151 G C 0.827 175.738 174.900 0.019 0.000 0.979 151 G CA 0.280 45.393 45.100 0.021 0.000 0.650 151 G HN 0.444 nan 8.290 nan 0.000 0.529 152 A N -0.387 122.447 122.820 0.022 0.000 1.978 152 A HA 0.275 4.595 4.320 -0.000 0.000 0.220 152 A C 2.017 179.613 177.584 0.019 0.000 1.170 152 A CA 1.733 53.783 52.037 0.021 0.000 0.636 152 A CB -0.185 18.830 19.000 0.025 0.000 0.810 152 A HN 0.977 nan 8.150 nan 0.000 0.448 153 L N -0.512 120.723 121.223 0.020 0.000 2.872 153 L HA 0.144 4.484 4.340 -0.000 0.000 0.245 153 L C 0.444 177.322 176.870 0.012 0.000 1.211 153 L CA -0.251 54.598 54.840 0.016 0.000 1.013 153 L CB 0.150 42.220 42.059 0.019 0.000 1.326 153 L HN 0.103 nan 8.230 nan 0.000 0.525 154 D N 0.203 120.611 120.400 0.013 0.000 2.310 154 D HA -0.153 4.487 4.640 -0.000 0.000 0.212 154 D C 1.968 178.272 176.300 0.007 0.000 0.965 154 D CA 0.984 54.990 54.000 0.010 0.000 0.879 154 D CB 0.232 41.038 40.800 0.011 0.000 0.921 154 D HN 0.359 nan 8.370 nan 0.000 0.510 155 Q N -0.291 119.513 119.800 0.006 0.000 2.398 155 Q HA 0.004 4.343 4.340 -0.000 0.000 0.204 155 Q C 1.635 177.636 176.000 0.001 0.000 0.932 155 Q CA 0.521 56.326 55.803 0.004 0.000 0.916 155 Q CB 0.828 29.569 28.738 0.004 0.000 1.024 155 Q HN 0.333 nan 8.270 nan 0.000 0.504 156 V N -3.834 116.081 119.914 0.001 0.000 3.604 156 V HA 0.329 4.449 4.120 -0.000 0.000 0.277 156 V C 0.405 176.496 176.094 -0.004 0.000 1.399 156 V CA -0.083 62.215 62.300 -0.003 0.000 1.034 156 V CB 0.336 32.157 31.823 -0.003 0.000 0.824 156 V HN -0.042 nan 8.190 nan 0.000 0.439 157 L N 2.157 123.379 121.223 -0.001 0.000 2.386 157 L HA 0.699 5.039 4.340 -0.000 0.000 0.271 157 L C 0.431 177.302 176.870 0.002 0.000 0.993 157 L CA -0.398 54.442 54.840 -0.001 0.000 0.819 157 L CB 2.302 44.362 42.059 0.003 0.000 1.294 157 L HN 0.307 nan 8.230 nan 0.000 0.414 158 S N 1.768 117.468 115.700 -0.000 0.000 2.634 158 S HA 0.224 4.694 4.470 -0.000 0.000 0.261 158 S C 1.046 175.650 174.600 0.006 0.000 1.271 158 S CA -0.333 57.869 58.200 0.002 0.000 0.985 158 S CB 1.169 64.369 63.200 -0.000 0.000 0.968 158 S HN 0.770 nan 8.310 nan 0.000 0.568 159 R N 0.575 121.080 120.500 0.007 0.000 2.091 159 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 159 R C 1.797 178.103 176.300 0.011 0.000 1.136 159 R CA 2.011 58.117 56.100 0.010 0.000 0.959 159 R CB -0.631 29.675 30.300 0.010 0.000 0.856 159 R HN 0.786 nan 8.270 nan 0.000 0.437 160 E N 0.734 120.939 120.200 0.008 0.000 2.077 160 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 160 E C 1.680 178.285 176.600 0.007 0.000 0.989 160 E CA 1.682 58.086 56.400 0.007 0.000 0.800 160 E CB -0.186 29.516 29.700 0.003 0.000 0.746 160 E HN 0.425 nan 8.360 nan 0.000 0.452 161 D N 0.558 120.960 120.400 0.003 0.000 2.104 161 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 161 D C 1.684 177.989 176.300 0.009 0.000 0.994 161 D CA 1.126 55.126 54.000 -0.001 0.000 0.830 161 D CB -0.192 40.604 40.800 -0.007 0.000 0.959 161 D HN 0.141 nan 8.370 nan 0.000 0.452 162 K N 0.330 120.739 120.400 0.015 0.000 2.103 162 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 162 K C 1.604 178.225 176.600 0.035 0.000 1.048 162 K CA 1.203 57.505 56.287 0.026 0.000 0.930 162 K CB 0.037 32.551 32.500 0.024 0.000 0.716 162 K HN 0.054 nan 8.250 nan 0.000 0.444 163 D N 0.268 120.686 120.400 0.030 0.000 2.149 163 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 163 D C 1.770 178.097 176.300 0.044 0.000 0.972 163 D CA 1.128 55.149 54.000 0.035 0.000 0.835 163 D CB -0.104 40.712 40.800 0.027 0.000 0.966 163 D HN 0.208 nan 8.370 nan 0.000 0.476 164 A N 0.548 123.390 122.820 0.037 0.000 1.897 164 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 164 A C 2.084 179.712 177.584 0.073 0.000 1.181 164 A CA 0.801 52.864 52.037 0.043 0.000 0.620 164 A CB -0.667 18.342 19.000 0.016 0.000 0.821 164 A HN 0.242 nan 8.150 nan 0.000 0.443 165 L N 0.049 121.309 121.223 0.061 0.000 2.046 165 L HA -0.086 4.253 4.340 -0.000 0.000 0.208 165 L C 2.420 179.383 176.870 0.154 0.000 1.077 165 L CA 2.566 57.464 54.840 0.097 0.000 0.747 165 L CB -0.709 41.383 42.059 0.057 0.000 0.896 165 L HN 0.273 nan 8.230 nan 0.000 0.432 166 S N -0.555 115.209 115.700 0.107 0.000 2.368 166 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 166 S C 1.868 176.531 174.600 0.104 0.000 1.030 166 S CA 1.444 59.704 58.200 0.100 0.000 0.999 166 S CB -0.332 62.910 63.200 0.070 0.000 0.844 166 S HN 0.596 nan 8.310 nan 0.000 0.459 167 E N 0.104 120.368 120.200 0.105 0.000 2.085 167 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 167 E C 1.820 178.498 176.600 0.131 0.000 0.994 167 E CA 1.208 57.668 56.400 0.100 0.000 0.801 167 E CB -0.183 29.573 29.700 0.093 0.000 0.743 167 E HN 0.551 nan 8.360 nan 0.000 0.453 168 F N 0.939 120.912 119.950 0.040 0.000 2.146 168 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 168 F C 1.802 177.666 175.800 0.107 0.000 1.096 168 F CA 1.134 59.165 58.000 0.052 0.000 1.275 168 F CB -0.120 38.880 39.000 0.001 0.000 1.008 168 F HN -0.010 nan 8.300 nan 0.000 0.480 169 L N -0.461 120.800 121.223 0.064 0.000 2.046 169 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 169 L C 2.512 179.376 176.870 -0.009 0.000 1.077 169 L CA 1.472 56.325 54.840 0.023 0.000 0.747 169 L CB -0.912 41.232 42.059 0.143 0.000 0.896 169 L HN 0.105 nan 8.230 nan 0.000 0.432 170 S N -0.531 115.174 115.700 0.008 0.000 2.383 170 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 170 S C 1.563 176.144 174.600 -0.031 0.000 1.026 170 S CA 1.506 59.710 58.200 0.007 0.000 0.981 170 S CB -0.270 62.944 63.200 0.023 0.000 0.818 170 S HN 0.496 nan 8.310 nan 0.000 0.472 171 D N 0.897 121.258 120.400 -0.066 0.000 2.091 171 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 171 D C 1.685 177.892 176.300 -0.154 0.000 0.980 171 D CA 0.899 54.847 54.000 -0.086 0.000 0.831 171 D CB -0.385 40.379 40.800 -0.061 0.000 0.987 171 D HN 0.277 nan 8.370 nan 0.000 0.460 172 F N 0.540 120.218 119.950 -0.454 0.000 2.171 172 F HA 0.102 4.629 4.527 -0.000 0.000 0.300 172 F C 2.129 177.789 175.800 -0.234 0.000 1.090 172 F CA 1.852 59.553 58.000 -0.500 0.000 1.293 172 F CB -0.219 38.173 39.000 -1.014 0.000 1.013 172 F HN 0.082 nan 8.300 nan 0.000 0.486 173 G N -1.351 107.341 108.800 -0.179 0.000 3.088 173 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.217 173 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.217 173 G C 0.002 174.875 174.900 -0.044 0.000 1.159 173 G CA 0.512 45.535 45.100 -0.129 0.000 0.760 173 G HN 0.291 nan 8.290 nan 0.000 0.550 174 D N -0.199 120.171 120.400 -0.050 0.000 2.686 174 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 174 D C 0.557 176.893 176.300 0.060 0.000 1.160 174 D CA 0.315 54.319 54.000 0.008 0.000 0.645 174 D CB -1.440 39.370 40.800 0.018 0.000 1.039 174 D HN 0.291 nan 8.370 nan 0.000 0.423 175 L N 0.157 121.411 121.223 0.052 0.000 2.464 175 L HA 0.217 4.556 4.340 -0.000 0.000 0.264 175 L C 1.661 178.544 176.870 0.022 0.000 1.199 175 L CA -0.252 54.626 54.840 0.063 0.000 0.818 175 L CB 0.683 42.783 42.059 0.068 0.000 1.102 175 L HN 0.254 nan 8.230 nan 0.000 0.473 176 S N -0.293 115.412 115.700 0.008 0.000 2.587 176 S HA -0.019 4.451 4.470 -0.000 0.000 0.260 176 S C 0.639 175.243 174.600 0.007 0.000 1.353 176 S CA -0.479 57.717 58.200 -0.006 0.000 0.995 176 S CB 0.634 63.826 63.200 -0.014 0.000 0.912 176 S HN 0.611 nan 8.310 nan 0.000 0.568 177 D N 0.987 121.389 120.400 0.002 0.000 2.221 177 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 177 D C 1.125 177.434 176.300 0.016 0.000 0.982 177 D CA 1.602 55.607 54.000 0.008 0.000 0.857 177 D CB -0.427 40.376 40.800 0.004 0.000 0.934 177 D HN 0.864 nan 8.370 nan 0.000 0.475 178 D N -1.161 119.249 120.400 0.016 0.000 2.325 178 D HA 0.170 4.810 4.640 -0.000 0.000 0.225 178 D C 1.217 177.539 176.300 0.035 0.000 1.096 178 D CA 0.331 54.345 54.000 0.023 0.000 0.844 178 D CB -0.240 40.572 40.800 0.019 0.000 0.925 178 D HN 0.141 nan 8.370 nan 0.000 0.513 179 G N 0.499 109.323 108.800 0.040 0.000 2.149 179 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.235 179 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.235 179 G C -0.064 174.882 174.900 0.077 0.000 1.018 179 G CA -0.291 44.844 45.100 0.058 0.000 0.728 179 G HN 0.455 nan 8.290 nan 0.000 0.508 180 R N -0.968 119.573 120.500 0.068 0.000 2.637 180 R HA 0.464 4.804 4.340 -0.000 0.000 0.291 180 R C -0.716 175.637 176.300 0.089 0.000 0.963 180 R CA -1.025 55.130 56.100 0.092 0.000 0.901 180 R CB 1.505 31.844 30.300 0.064 0.000 1.160 180 R HN 0.179 nan 8.270 nan 0.000 0.457 181 Y N 3.681 123.976 120.300 -0.008 0.000 2.486 181 Y HA 0.132 4.682 4.550 -0.000 0.000 0.348 181 Y C 0.099 175.940 175.900 -0.099 0.000 1.000 181 Y CA -0.083 57.941 58.100 -0.126 0.000 1.253 181 Y CB 0.306 38.550 38.460 -0.359 0.000 1.140 181 Y HN 0.529 nan 8.280 nan 0.000 0.526 182 L N 6.204 127.035 121.223 -0.654 0.000 3.014 182 L HA 0.452 4.792 4.340 -0.000 0.000 0.263 182 L C 0.800 177.278 176.870 -0.653 0.000 1.207 182 L CA 0.152 54.688 54.840 -0.506 0.000 1.017 182 L CB -0.362 41.553 42.059 -0.240 0.000 1.360 182 L HN 0.957 nan 8.230 nan 0.000 0.560 183 G N 0.126 108.174 108.800 -1.254 0.000 2.592 183 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.684 183 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.684 183 G C -0.775 173.903 174.900 -0.369 0.000 1.291 183 G CA -0.179 44.491 45.100 -0.717 0.000 0.891 183 G HN 0.164 nan 8.290 nan 0.000 0.544 184 S N -1.888 113.711 115.700 -0.169 0.000 2.558 184 S HA 0.659 5.129 4.470 -0.000 0.000 0.277 184 S C 1.238 175.760 174.600 -0.131 0.000 1.143 184 S CA 0.793 58.947 58.200 -0.078 0.000 0.865 184 S CB 0.994 64.229 63.200 0.059 0.000 1.102 184 S HN 2.428 nan 8.310 nan 0.000 0.454 185 S N 3.283 118.910 115.700 -0.120 0.000 2.469 185 S HA -0.089 4.380 4.470 -0.000 0.000 0.238 185 S C 1.493 176.031 174.600 -0.102 0.000 0.998 185 S CA 0.795 58.890 58.200 -0.174 0.000 0.957 185 S CB -0.426 62.792 63.200 0.030 0.000 0.764 185 S HN 0.745 nan 8.310 nan 0.000 0.514 186 R N 1.127 121.603 120.500 -0.041 0.000 2.193 186 R HA 0.092 4.432 4.340 -0.000 0.000 0.229 186 R C 2.498 178.789 176.300 -0.015 0.000 1.110 186 R CA 1.189 57.283 56.100 -0.009 0.000 0.988 186 R CB -0.286 30.010 30.300 -0.007 0.000 0.871 186 R HN 0.504 nan 8.270 nan 0.000 0.458 187 R N 0.304 120.772 120.500 -0.053 0.000 2.189 187 R HA 0.034 4.374 4.340 -0.000 0.000 0.223 187 R C 0.995 177.263 176.300 -0.053 0.000 1.092 187 R CA 0.676 56.750 56.100 -0.044 0.000 0.989 187 R CB -0.079 30.179 30.300 -0.069 0.000 0.876 187 R HN 0.330 nan 8.270 nan 0.000 0.457 188 G N -0.355 108.374 108.800 -0.118 0.000 2.610 188 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.304 188 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.304 188 G C -1.374 173.371 174.900 -0.259 0.000 1.309 188 G CA -0.853 44.217 45.100 -0.050 0.000 0.906 188 G HN 0.180 nan 8.290 nan 0.000 0.521 189 Y N -0.308 120.003 120.300 0.019 0.000 2.442 189 Y HA 0.507 5.057 4.550 -0.000 0.000 0.344 189 Y C 1.056 176.962 175.900 0.011 0.000 0.976 189 Y CA 0.024 58.132 58.100 0.012 0.000 1.040 189 Y CB 2.304 40.775 38.460 0.019 0.000 1.228 189 Y HN 0.776 nan 8.280 nan 0.000 0.451 190 D N 0.814 121.287 120.400 0.121 0.000 2.117 190 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 190 D C 0.278 176.635 176.300 0.094 0.000 0.982 190 D CA 1.314 55.359 54.000 0.076 0.000 0.828 190 D CB 0.353 41.173 40.800 0.034 0.000 0.967 190 D HN 0.258 nan 8.370 nan 0.000 0.464 191 S N -0.487 115.286 115.700 0.121 0.000 2.498 191 S HA 0.300 4.770 4.470 -0.000 0.000 0.317 191 S C -0.969 173.677 174.600 0.077 0.000 1.090 191 S CA -0.747 57.503 58.200 0.083 0.000 1.089 191 S CB 1.283 64.518 63.200 0.058 0.000 0.997 191 S HN 0.160 nan 8.310 nan 0.000 0.470 192 E N 4.657 124.870 120.200 0.022 0.000 2.414 192 E HA 0.228 4.578 4.350 -0.000 0.000 0.263 192 E C -2.425 174.084 176.600 -0.151 0.000 1.000 192 E CA -1.208 55.150 56.400 -0.070 0.000 0.914 192 E CB 0.425 30.099 29.700 -0.044 0.000 0.948 192 E HN 0.275 nan 8.360 nan 0.000 0.444 193 P HA 0.165 nan 4.420 nan 0.000 0.271 193 P C -0.330 176.880 177.300 -0.150 0.000 1.226 193 P CA 0.029 62.984 63.100 -0.241 0.000 0.765 193 P CB 1.428 32.908 31.700 -0.367 0.000 0.835 194 G N 1.875 110.607 108.800 -0.113 0.000 3.194 194 G HA2 0.674 4.634 3.960 -0.000 0.000 0.160 194 G HA3 0.674 4.634 3.960 -0.000 0.000 0.160 194 G C -0.798 174.046 174.900 -0.094 0.000 1.267 194 G CA -0.308 44.734 45.100 -0.096 0.000 0.962 194 G HN 0.600 nan 8.290 nan 0.000 0.612 195 A N -2.233 120.528 122.820 -0.098 0.000 2.269 195 A HA 0.772 5.091 4.320 -0.000 0.000 0.327 195 A C 1.156 178.658 177.584 -0.138 0.000 1.112 195 A CA 0.795 52.776 52.037 -0.092 0.000 0.865 195 A CB 0.374 19.332 19.000 -0.069 0.000 1.227 195 A HN 2.462 nan 8.150 nan 0.000 0.498 196 G N -0.791 107.938 108.800 -0.118 0.000 2.622 196 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.307 196 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.307 196 G C 0.635 175.356 174.900 -0.299 0.000 1.226 196 G CA 0.712 45.723 45.100 -0.149 0.000 0.997 196 G HN 1.204 nan 8.290 nan 0.000 0.551 197 L N 1.384 122.357 121.223 -0.417 0.000 2.611 197 L HA 0.222 4.561 4.340 -0.000 0.000 0.229 197 L C 1.122 177.367 176.870 -1.041 0.000 1.137 197 L CA 0.214 54.531 54.840 -0.872 0.000 0.901 197 L CB -0.222 41.573 42.059 -0.440 0.000 1.098 197 L HN 0.426 nan 8.230 nan 0.000 0.456 198 N N 0.460 118.811 118.700 -0.582 0.000 2.895 198 N HA 0.011 4.751 4.740 -0.000 0.000 0.277 198 N C 0.690 176.019 175.510 -0.300 0.000 1.185 198 N CA -0.063 52.769 53.050 -0.362 0.000 1.106 198 N CB 0.021 38.389 38.487 -0.198 0.000 1.422 198 N HN -0.017 nan 8.380 nan 0.000 0.521 199 F N 1.322 121.256 119.950 -0.026 0.000 2.407 199 F HA 0.225 4.752 4.527 -0.000 0.000 0.299 199 F C 1.987 177.762 175.800 -0.043 0.000 1.097 199 F CA 0.789 58.773 58.000 -0.027 0.000 1.422 199 F CB -0.756 38.244 39.000 0.001 0.000 1.067 199 F HN 0.470 nan 8.300 nan 0.000 0.539 200 G N 0.156 109.020 108.800 0.106 0.000 2.795 200 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.664 200 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.664 200 G C -0.372 174.660 174.900 0.220 0.000 1.381 200 G CA -0.512 44.642 45.100 0.090 0.000 0.853 200 G HN 0.525 nan 8.290 nan 0.000 0.545 201 T N -1.681 113.038 114.554 0.275 0.000 2.906 201 T HA 0.644 4.993 4.350 -0.000 0.000 0.302 201 T C -0.234 174.583 174.700 0.194 0.000 1.002 201 T CA -0.443 61.782 62.100 0.207 0.000 0.988 201 T CB 1.876 70.808 68.868 0.107 0.000 0.972 201 T HN 0.722 nan 8.240 nan 0.000 0.447 202 E N 2.426 122.658 120.200 0.053 0.000 2.414 202 E HA 0.065 4.415 4.350 -0.000 0.000 0.263 202 E C 0.039 176.528 176.600 -0.184 0.000 1.000 202 E CA -0.062 56.168 56.400 -0.283 0.000 0.914 202 E CB 0.695 30.214 29.700 -0.301 0.000 0.948 202 E HN 0.497 nan 8.360 nan 0.000 0.444 203 K N 3.513 123.779 120.400 -0.223 0.000 2.416 203 K HA 0.052 4.372 4.320 -0.000 0.000 0.283 203 K C -0.075 176.413 176.600 -0.187 0.000 1.037 203 K CA 0.276 56.462 56.287 -0.168 0.000 0.995 203 K CB 0.521 32.933 32.500 -0.147 0.000 0.938 203 K HN 0.214 nan 8.250 nan 0.000 0.475 204 K N 4.104 124.395 120.400 -0.182 0.000 2.237 204 K HA 0.173 4.493 4.320 -0.000 0.000 0.270 204 K C -2.092 174.372 176.600 -0.227 0.000 1.015 204 K CA -1.636 54.541 56.287 -0.182 0.000 0.949 204 K CB 0.341 32.752 32.500 -0.148 0.000 0.976 204 K HN 0.413 nan 8.250 nan 0.000 0.472 205 P HA 0.068 nan 4.420 nan 0.000 0.275 205 P C -0.625 176.658 177.300 -0.028 0.000 1.228 205 P CA -0.157 62.910 63.100 -0.056 0.000 0.786 205 P CB 0.405 32.111 31.700 0.009 0.000 0.927 206 F N 0.671 120.715 119.950 0.156 0.000 2.480 206 F HA 0.321 4.848 4.527 -0.000 0.000 0.319 206 F C 1.581 177.529 175.800 0.247 0.000 1.230 206 F CA 0.027 58.117 58.000 0.151 0.000 1.285 206 F CB -0.194 38.880 39.000 0.123 0.000 1.208 206 F HN 0.339 nan 8.300 nan 0.000 0.579 207 A N 1.832 124.866 122.820 0.357 0.000 2.313 207 A HA 0.331 4.651 4.320 -0.000 0.000 0.261 207 A C 1.131 178.650 177.584 -0.108 0.000 1.090 207 A CA -0.587 51.545 52.037 0.159 0.000 0.807 207 A CB 0.258 19.298 19.000 0.066 0.000 1.055 207 A HN 0.864 nan 8.150 nan 0.000 0.492 208 M N -0.112 119.124 119.600 -0.608 0.000 2.073 208 M HA -0.256 4.224 4.480 -0.000 0.000 0.258 208 M C 2.066 178.146 176.300 -0.367 0.000 1.070 208 M CA 2.116 56.824 55.300 -0.985 0.000 1.103 208 M CB -0.864 31.259 32.600 -0.795 0.000 1.321 208 M HN 0.856 nan 8.290 nan 0.000 0.405 209 Q N 0.440 120.114 119.800 -0.210 0.000 2.050 209 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 209 Q C 1.998 177.938 176.000 -0.099 0.000 0.980 209 Q CA 1.550 57.281 55.803 -0.120 0.000 0.840 209 Q CB -0.212 28.479 28.738 -0.078 0.000 0.898 209 Q HN 0.592 nan 8.270 nan 0.000 0.424 210 E N -0.018 120.134 120.200 -0.081 0.000 2.058 210 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 210 E C 2.135 178.645 176.600 -0.149 0.000 0.997 210 E CA 1.538 57.878 56.400 -0.099 0.000 0.801 210 E CB -0.071 29.594 29.700 -0.058 0.000 0.746 210 E HN 0.129 nan 8.360 nan 0.000 0.450 211 V N 1.487 121.340 119.914 -0.101 0.000 2.255 211 V HA -0.286 3.833 4.120 -0.000 0.000 0.247 211 V C 2.294 178.335 176.094 -0.088 0.000 1.051 211 V CA 1.757 64.014 62.300 -0.071 0.000 1.018 211 V CB -0.431 31.444 31.823 0.087 0.000 0.641 211 V HN 0.266 nan 8.190 nan 0.000 0.445 212 I N -0.527 119.994 120.570 -0.082 0.000 2.179 212 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 212 I C 2.649 178.714 176.117 -0.086 0.000 1.088 212 I CA 1.669 62.924 61.300 -0.074 0.000 1.357 212 I CB -0.372 37.590 38.000 -0.063 0.000 1.051 212 I HN 0.193 nan 8.210 nan 0.000 0.409 213 R N 0.354 120.800 120.500 -0.089 0.000 2.276 213 R HA -0.038 4.301 4.340 -0.000 0.000 0.203 213 R C 2.299 178.542 176.300 -0.094 0.000 1.017 213 R CA 1.191 57.242 56.100 -0.082 0.000 1.010 213 R CB -0.120 30.138 30.300 -0.070 0.000 0.900 213 R HN 0.436 nan 8.270 nan 0.000 0.469 214 S N -0.637 114.993 115.700 -0.118 0.000 2.501 214 S HA 0.056 4.526 4.470 -0.000 0.000 0.220 214 S C 1.450 175.980 174.600 -0.115 0.000 0.997 214 S CA 0.334 58.463 58.200 -0.118 0.000 0.919 214 S CB 0.352 63.451 63.200 -0.168 0.000 0.778 214 S HN 0.389 nan 8.310 nan 0.000 0.523 215 G N 1.663 110.376 108.800 -0.145 0.000 2.323 215 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.292 215 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.292 215 G C 0.323 175.064 174.900 -0.265 0.000 1.040 215 G CA 0.490 45.464 45.100 -0.210 0.000 0.942 215 G HN 0.626 nan 8.290 nan 0.000 0.506 216 I N -0.408 120.059 120.570 -0.172 0.000 2.756 216 I HA 0.061 4.231 4.170 -0.000 0.000 0.262 216 I C 2.195 178.105 176.117 -0.345 0.000 1.225 216 I CA 1.598 62.847 61.300 -0.085 0.000 1.472 216 I CB 0.024 37.974 38.000 -0.084 0.000 1.094 216 I HN 0.292 nan 8.210 nan 0.000 0.454 217 G N 0.494 108.905 108.800 -0.648 0.000 3.233 217 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.234 217 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.234 217 G C 1.470 175.828 174.900 -0.904 0.000 1.137 217 G CA -0.146 44.044 45.100 -1.517 0.000 0.763 217 G HN 0.437 nan 8.290 nan 0.000 0.549 218 R N 0.075 120.263 120.500 -0.520 0.000 2.159 218 R HA -0.040 4.299 4.340 -0.000 0.000 0.237 218 R C 1.556 177.772 176.300 -0.139 0.000 1.131 218 R CA 1.580 57.491 56.100 -0.315 0.000 0.982 218 R CB -0.298 29.753 30.300 -0.415 0.000 0.868 218 R HN 0.221 nan 8.270 nan 0.000 0.453 219 N N -0.544 118.124 118.700 -0.054 0.000 2.236 219 N HA 0.056 4.796 4.740 -0.000 0.000 0.196 219 N C 0.481 176.235 175.510 0.408 0.000 1.114 219 N CA -0.031 53.143 53.050 0.207 0.000 0.859 219 N CB 0.134 38.810 38.487 0.314 0.000 0.982 219 N HN 0.066 nan 8.380 nan 0.000 0.493 220 F N 0.913 120.977 119.950 0.190 0.000 2.161 220 F HA -0.107 4.420 4.527 -0.000 0.000 0.300 220 F C 2.569 178.333 175.800 -0.061 0.000 1.089 220 F CA 0.942 59.018 58.000 0.126 0.000 1.282 220 F CB -1.364 37.737 39.000 0.169 0.000 1.010 220 F HN 0.103 nan 8.300 nan 0.000 0.485 221 S N -0.322 115.504 115.700 0.211 0.000 2.507 221 S HA -0.213 4.257 4.470 -0.000 0.000 0.235 221 S C 1.947 176.597 174.600 0.082 0.000 0.988 221 S CA 0.328 58.582 58.200 0.089 0.000 0.944 221 S CB -1.522 61.846 63.200 0.280 0.000 0.762 221 S HN 0.309 nan 8.310 nan 0.000 0.526 222 F N 3.503 123.476 119.950 0.037 0.000 2.120 222 F HA -0.162 4.364 4.527 -0.000 0.000 0.300 222 F C 1.639 177.444 175.800 0.008 0.000 1.095 222 F CA 2.011 60.050 58.000 0.066 0.000 1.249 222 F CB -0.529 38.539 39.000 0.113 0.000 0.995 222 F HN 0.133 nan 8.300 nan 0.000 0.480 223 D N 0.035 120.422 120.400 -0.022 0.000 2.190 223 D HA -0.217 4.423 4.640 -0.000 0.000 0.200 223 D C 1.937 178.188 176.300 -0.082 0.000 0.992 223 D CA 1.447 55.368 54.000 -0.131 0.000 0.854 223 D CB -0.536 40.112 40.800 -0.252 0.000 0.936 223 D HN 0.333 nan 8.370 nan 0.000 0.462 224 F N 0.730 120.699 119.950 0.032 0.000 2.743 224 F HA 0.241 4.768 4.527 -0.000 0.000 0.297 224 F C 1.906 177.686 175.800 -0.033 0.000 1.131 224 F CA -0.587 57.422 58.000 0.015 0.000 1.426 224 F CB -0.988 38.049 39.000 0.061 0.000 1.116 224 F HN -0.239 nan 8.300 nan 0.000 0.583 225 G N -0.461 108.357 108.800 0.031 0.000 2.321 225 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.237 225 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.237 225 G C 0.644 175.529 174.900 -0.025 0.000 1.282 225 G CA -0.183 44.906 45.100 -0.020 0.000 0.886 225 G HN 0.314 nan 8.290 nan 0.000 0.528 226 Y N 1.087 121.335 120.300 -0.087 0.000 2.151 226 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 226 Y C 2.045 177.807 175.900 -0.230 0.000 1.166 226 Y CA 2.352 60.376 58.100 -0.126 0.000 1.163 226 Y CB 0.341 38.732 38.460 -0.115 0.000 0.974 226 Y HN 0.556 nan 8.280 nan 0.000 0.511 227 D N -0.995 119.188 120.400 -0.362 0.000 2.339 227 D HA -0.029 4.610 4.640 -0.000 0.000 0.217 227 D C 1.281 177.274 176.300 -0.512 0.000 1.050 227 D CA 0.345 53.929 54.000 -0.693 0.000 0.856 227 D CB 0.338 40.570 40.800 -0.947 0.000 0.922 227 D HN 0.506 nan 8.370 nan 0.000 0.518 228 Q N -0.010 119.589 119.800 -0.335 0.000 2.342 228 Q HA 0.206 4.546 4.340 -0.000 0.000 0.261 228 Q C 0.731 176.607 176.000 -0.207 0.000 0.841 228 Q CA 0.025 55.658 55.803 -0.283 0.000 0.969 228 Q CB 0.423 28.793 28.738 -0.613 0.000 1.136 228 Q HN 0.077 nan 8.270 nan 0.000 0.528 229 A N 2.628 125.340 122.820 -0.181 0.000 2.584 229 A HA 0.031 4.351 4.320 -0.000 0.000 0.239 229 A C 0.607 178.154 177.584 -0.063 0.000 1.043 229 A CA 0.272 52.263 52.037 -0.078 0.000 0.756 229 A CB -0.045 18.941 19.000 -0.024 0.000 0.963 229 A HN 0.152 nan 8.150 nan 0.000 0.511 230 M N 2.871 122.464 119.600 -0.013 0.000 2.249 230 M HA 0.086 4.566 4.480 -0.000 0.000 0.340 230 M C 0.285 176.587 176.300 0.003 0.000 1.166 230 M CA 0.638 55.930 55.300 -0.014 0.000 1.115 230 M CB 0.020 32.622 32.600 0.003 0.000 1.606 230 M HN 0.571 nan 8.290 nan 0.000 0.448 231 M N 3.452 123.067 119.600 0.025 0.000 2.249 231 M HA 0.426 4.906 4.480 -0.000 0.000 0.351 231 M C -0.224 176.011 176.300 -0.107 0.000 1.180 231 M CA 0.017 55.298 55.300 -0.031 0.000 1.127 231 M CB 1.142 33.813 32.600 0.118 0.000 1.546 231 M HN 0.511 nan 8.290 nan 0.000 0.461 232 M N 2.560 121.939 119.600 -0.368 0.000 2.598 232 M HA 0.607 5.086 4.480 -0.000 0.000 0.317 232 M C -1.076 174.705 176.300 -0.865 0.000 1.179 232 M CA -0.342 54.756 55.300 -0.337 0.000 0.936 232 M CB 1.820 34.382 32.600 -0.063 0.000 1.713 232 M HN 0.458 nan 8.290 nan 0.000 0.460 233 F N -0.583 119.390 119.950 0.038 0.000 2.620 233 F HA 0.747 5.273 4.527 -0.000 0.000 0.320 233 F C 0.282 176.089 175.800 0.012 0.000 1.069 233 F CA -0.614 57.413 58.000 0.045 0.000 0.953 233 F CB 2.229 41.240 39.000 0.017 0.000 1.322 233 F HN 0.463 nan 8.300 nan 0.000 0.479 234 T N 1.536 116.178 114.554 0.147 0.000 2.942 234 T HA 0.476 4.826 4.350 -0.000 0.000 0.327 234 T C -3.092 171.676 174.700 0.115 0.000 1.360 234 T CA -1.871 60.272 62.100 0.072 0.000 1.055 234 T CB 1.931 70.757 68.868 -0.070 0.000 1.261 234 T HN 0.113 nan 8.240 nan 0.000 0.485 235 P HA 0.175 nan 4.420 nan 0.000 0.268 235 P C -0.638 176.733 177.300 0.118 0.000 1.205 235 P CA -0.334 62.818 63.100 0.087 0.000 0.771 235 P CB 0.385 32.114 31.700 0.047 0.000 0.858 236 V N 3.694 123.663 119.914 0.092 0.000 2.485 236 V HA 0.283 4.403 4.120 -0.000 0.000 0.287 236 V C 1.597 177.700 176.094 0.014 0.000 1.022 236 V CA 1.769 64.130 62.300 0.102 0.000 1.067 236 V CB -0.405 31.454 31.823 0.060 0.000 0.967 236 V HN 1.028 nan 8.190 nan 0.000 0.479 237 G N 3.429 112.235 108.800 0.011 0.000 2.175 237 G HA2 0.154 4.114 3.960 -0.000 0.000 0.244 237 G HA3 0.154 4.114 3.960 -0.000 0.000 0.244 237 G C 0.619 174.952 174.900 -0.944 0.000 0.982 237 G CA -0.221 44.676 45.100 -0.339 0.000 0.641 237 G HN 2.249 nan 8.290 nan 0.000 0.527 238 G N -2.150 106.285 108.800 -0.608 0.000 2.379 238 G HA2 0.385 4.344 3.960 -0.000 0.000 0.609 238 G HA3 0.385 4.344 3.960 -0.000 0.000 0.609 238 G C 0.192 175.058 174.900 -0.056 0.000 1.484 238 G CA 0.266 45.083 45.100 -0.471 0.000 0.921 238 G HN 1.190 nan 8.290 nan 0.000 0.658 239 M N 1.308 120.966 119.600 0.096 0.000 2.229 239 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 239 M C 2.276 178.703 176.300 0.212 0.000 1.063 239 M CA 2.640 58.039 55.300 0.165 0.000 1.114 239 M CB -0.353 32.378 32.600 0.218 0.000 1.387 239 M HN 0.727 nan 8.290 nan 0.000 0.420 240 D N -0.761 119.783 120.400 0.239 0.000 2.263 240 D HA -0.211 4.429 4.640 -0.000 0.000 0.208 240 D C 1.701 178.205 176.300 0.339 0.000 0.971 240 D CA 1.148 55.370 54.000 0.369 0.000 0.867 240 D CB -0.734 40.314 40.800 0.412 0.000 0.929 240 D HN 0.436 nan 8.370 nan 0.000 0.492 241 R N 0.069 120.673 120.500 0.173 0.000 2.159 241 R HA -0.002 4.338 4.340 -0.000 0.000 0.237 241 R C 2.462 178.753 176.300 -0.015 0.000 1.131 241 R CA 0.913 57.074 56.100 0.102 0.000 0.982 241 R CB -0.351 29.940 30.300 -0.015 0.000 0.868 241 R HN 0.319 nan 8.270 nan 0.000 0.453 242 I N -0.419 120.050 120.570 -0.169 0.000 2.208 242 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 242 I C 1.481 177.236 176.117 -0.604 0.000 1.097 242 I CA 1.534 62.533 61.300 -0.503 0.000 1.363 242 I CB -0.213 37.334 38.000 -0.754 0.000 1.051 242 I HN 0.149 nan 8.210 nan 0.000 0.413 243 Y N -1.426 118.957 120.300 0.140 0.000 2.503 243 Y HA -0.016 4.534 4.550 -0.000 0.000 0.278 243 Y C 2.117 178.020 175.900 0.006 0.000 1.111 243 Y CA 0.178 58.358 58.100 0.133 0.000 1.270 243 Y CB -0.727 37.755 38.460 0.036 0.000 1.063 243 Y HN 0.042 nan 8.280 nan 0.000 0.548 244 Y N -0.372 120.000 120.300 0.120 0.000 2.293 244 Y HA -0.138 4.412 4.550 -0.000 0.000 0.291 244 Y C 2.494 178.418 175.900 0.039 0.000 1.137 244 Y CA 0.977 59.124 58.100 0.077 0.000 1.202 244 Y CB -0.644 37.833 38.460 0.028 0.000 0.990 244 Y HN 0.094 nan 8.280 nan 0.000 0.537 245 A N -0.383 122.488 122.820 0.084 0.000 1.898 245 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 245 A C 1.929 179.488 177.584 -0.041 0.000 1.181 245 A CA 1.306 53.321 52.037 -0.038 0.000 0.620 245 A CB -1.144 17.745 19.000 -0.184 0.000 0.819 245 A HN 0.366 nan 8.150 nan 0.000 0.442 246 F N 0.185 120.063 119.950 -0.121 0.000 2.069 246 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 246 F C 2.661 178.481 175.800 0.034 0.000 1.113 246 F CA 1.910 59.841 58.000 -0.115 0.000 1.214 246 F CB -0.731 38.195 39.000 -0.125 0.000 0.978 246 F HN 0.402 nan 8.300 nan 0.000 0.474 247 Q N 0.336 120.291 119.800 0.258 0.000 2.096 247 Q HA -0.272 4.067 4.340 -0.000 0.000 0.208 247 Q C 1.622 177.742 176.000 0.200 0.000 0.993 247 Q CA 2.303 58.237 55.803 0.219 0.000 0.862 247 Q CB -0.255 28.609 28.738 0.209 0.000 0.915 247 Q HN 0.318 nan 8.270 nan 0.000 0.416 248 D N -0.451 120.055 120.400 0.177 0.000 2.149 248 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 248 D C 2.031 178.421 176.300 0.150 0.000 0.972 248 D CA 0.708 54.795 54.000 0.146 0.000 0.835 248 D CB -0.080 40.789 40.800 0.114 0.000 0.966 248 D HN 0.209 nan 8.370 nan 0.000 0.476 249 R N 0.371 120.981 120.500 0.183 0.000 2.075 249 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 249 R C 2.512 178.963 176.300 0.252 0.000 1.126 249 R CA 0.474 56.721 56.100 0.246 0.000 0.963 249 R CB -0.733 29.800 30.300 0.389 0.000 0.858 249 R HN 0.317 nan 8.270 nan 0.000 0.435 250 I N -0.000 120.733 120.570 0.272 0.000 2.252 250 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 250 I C 0.854 177.050 176.117 0.133 0.000 1.102 250 I CA 1.185 62.607 61.300 0.203 0.000 1.385 250 I CB -0.354 37.754 38.000 0.180 0.000 1.064 250 I HN 0.330 nan 8.210 nan 0.000 0.414 251 G N 0.606 109.487 108.800 0.134 0.000 3.209 251 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.686 251 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.686 251 G C 0.494 175.457 174.900 0.105 0.000 1.065 251 G CA -0.141 45.024 45.100 0.109 0.000 0.812 251 G HN 0.258 nan 8.290 nan 0.000 0.573 252 T N -1.409 113.220 114.554 0.125 0.000 3.098 252 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 252 T C 1.361 176.119 174.700 0.096 0.000 1.145 252 T CA 1.814 64.004 62.100 0.151 0.000 1.092 252 T CB 0.058 69.041 68.868 0.192 0.000 0.908 252 T HN 0.430 nan 8.240 nan 0.000 0.526 253 D N 1.844 122.286 120.400 0.070 0.000 2.312 253 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 253 D C 1.321 177.635 176.300 0.023 0.000 0.964 253 D CA 0.547 54.575 54.000 0.047 0.000 0.877 253 D CB -0.133 40.693 40.800 0.044 0.000 0.924 253 D HN 0.469 nan 8.370 nan 0.000 0.515 254 N N 0.135 118.844 118.700 0.015 0.000 2.214 254 N HA 0.151 4.891 4.740 -0.000 0.000 0.214 254 N C -0.082 175.382 175.510 -0.076 0.000 1.132 254 N CA 0.066 53.108 53.050 -0.014 0.000 0.856 254 N CB 1.687 40.180 38.487 0.010 0.000 1.020 254 N HN 0.210 nan 8.380 nan 0.000 0.509 255 I N 0.894 121.396 120.570 -0.113 0.000 2.478 255 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 255 I C -0.627 175.281 176.117 -0.348 0.000 1.042 255 I CA -0.894 60.222 61.300 -0.306 0.000 1.067 255 I CB 2.601 40.337 38.000 -0.439 0.000 1.233 255 I HN -0.368 nan 8.210 nan 0.000 0.431 256 V N 6.480 126.152 119.914 -0.404 0.000 2.348 256 V HA 0.346 4.465 4.120 -0.000 0.000 0.270 256 V C -0.127 175.700 176.094 -0.444 0.000 1.037 256 V CA -0.320 61.795 62.300 -0.309 0.000 0.872 256 V CB 0.237 31.885 31.823 -0.292 0.000 1.002 256 V HN 0.360 nan 8.190 nan 0.000 0.464 257 F N 1.926 121.826 119.950 -0.083 0.000 2.370 257 F HA 0.635 5.162 4.527 -0.000 0.000 0.324 257 F C 1.453 177.211 175.800 -0.069 0.000 1.116 257 F CA 0.389 58.337 58.000 -0.087 0.000 1.123 257 F CB 1.048 40.017 39.000 -0.052 0.000 1.238 257 F HN 0.686 nan 8.300 nan 0.000 0.536 258 G N 0.911 109.779 108.800 0.113 0.000 2.198 258 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.260 258 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.260 258 G C -0.135 174.769 174.900 0.007 0.000 1.025 258 G CA 0.039 45.168 45.100 0.049 0.000 0.769 258 G HN 1.100 nan 8.290 nan 0.000 0.507 259 A N 0.261 123.028 122.820 -0.090 0.000 2.690 259 A HA 0.657 4.977 4.320 -0.000 0.000 0.342 259 A C 0.313 177.817 177.584 -0.133 0.000 1.410 259 A CA 0.083 52.051 52.037 -0.114 0.000 0.958 259 A CB 0.322 19.067 19.000 -0.425 0.000 1.153 259 A HN 0.548 nan 8.150 nan 0.000 0.497 260 E N 2.628 122.819 120.200 -0.015 0.000 2.217 260 E HA 0.330 4.680 4.350 -0.000 0.000 0.279 260 E C -0.590 176.053 176.600 0.072 0.000 1.068 260 E CA -0.269 56.119 56.400 -0.019 0.000 0.882 260 E CB 0.635 30.384 29.700 0.081 0.000 1.039 260 E HN 0.399 nan 8.360 nan 0.000 0.418 261 V N 4.507 124.433 119.914 0.020 0.000 2.637 261 V HA 0.037 4.156 4.120 -0.000 0.000 0.296 261 V C 1.305 177.445 176.094 0.077 0.000 1.046 261 V CA 0.786 63.129 62.300 0.073 0.000 1.066 261 V CB 1.233 33.069 31.823 0.022 0.000 0.968 261 V HN 0.967 nan 8.190 nan 0.000 0.483 262 T N -0.901 113.703 114.554 0.083 0.000 2.986 262 T HA 0.268 4.618 4.350 -0.000 0.000 0.264 262 T C 0.414 175.143 174.700 0.048 0.000 0.964 262 T CA 0.322 62.459 62.100 0.061 0.000 0.895 262 T CB 0.486 69.386 68.868 0.053 0.000 1.163 262 T HN 0.587 nan 8.240 nan 0.000 0.517 263 S N 0.379 116.110 115.700 0.051 0.000 2.537 263 S HA 0.730 5.200 4.470 -0.000 0.000 0.270 263 S C -1.846 172.781 174.600 0.045 0.000 1.142 263 S CA -0.804 57.421 58.200 0.041 0.000 0.870 263 S CB 1.835 65.052 63.200 0.029 0.000 1.112 263 S HN 0.492 nan 8.310 nan 0.000 0.466 264 M N 4.045 123.668 119.600 0.039 0.000 2.234 264 M HA 0.501 4.980 4.480 -0.000 0.000 0.267 264 M C -2.250 174.065 176.300 0.025 0.000 1.022 264 M CA -0.246 55.075 55.300 0.034 0.000 0.993 264 M CB 1.160 33.784 32.600 0.040 0.000 1.836 264 M HN 0.657 nan 8.290 nan 0.000 0.479 265 K N 3.210 123.619 120.400 0.015 0.000 2.501 265 K HA 0.434 4.754 4.320 -0.000 0.000 0.252 265 K C -1.240 175.358 176.600 -0.004 0.000 0.934 265 K CA -0.766 55.525 56.287 0.008 0.000 0.797 265 K CB 2.288 34.793 32.500 0.008 0.000 1.270 265 K HN 0.691 nan 8.250 nan 0.000 0.431 266 N N 1.369 120.063 118.700 -0.008 0.000 2.475 266 N HA 0.179 4.919 4.740 -0.000 0.000 0.267 266 N C -0.601 174.900 175.510 -0.015 0.000 1.169 266 N CA -0.247 52.793 53.050 -0.017 0.000 0.947 266 N CB 0.797 39.272 38.487 -0.019 0.000 1.061 266 N HN 0.279 nan 8.380 nan 0.000 0.466 267 V N -0.474 119.427 119.914 -0.022 0.000 3.141 267 V HA 0.464 4.584 4.120 -0.000 0.000 0.312 267 V C 1.140 177.218 176.094 -0.027 0.000 1.157 267 V CA -0.701 61.587 62.300 -0.020 0.000 1.041 267 V CB 1.461 33.274 31.823 -0.017 0.000 1.071 267 V HN 0.680 nan 8.190 nan 0.000 0.441 268 S N 0.140 115.827 115.700 -0.022 0.000 2.400 268 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 268 S C 1.196 175.776 174.600 -0.033 0.000 1.025 268 S CA 1.854 60.040 58.200 -0.024 0.000 0.993 268 S CB -0.690 62.499 63.200 -0.018 0.000 0.808 268 S HN 0.949 nan 8.310 nan 0.000 0.478 269 E N 1.176 121.356 120.200 -0.034 0.000 2.435 269 E HA 0.455 4.804 4.350 -0.000 0.000 0.195 269 E C 1.304 177.866 176.600 -0.063 0.000 1.029 269 E CA 0.415 56.790 56.400 -0.042 0.000 0.865 269 E CB 0.013 29.693 29.700 -0.033 0.000 0.833 269 E HN 0.655 nan 8.360 nan 0.000 0.510 270 G N -0.640 108.118 108.800 -0.070 0.000 2.011 270 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.054 270 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.054 270 G C -1.262 173.594 174.900 -0.074 0.000 0.853 270 G CA -0.363 44.672 45.100 -0.107 0.000 1.135 270 G HN 0.012 nan 8.290 nan 0.000 0.372 271 V N 1.263 121.143 119.914 -0.056 0.000 2.638 271 V HA 0.711 4.831 4.120 -0.000 0.000 0.306 271 V C -0.416 175.673 176.094 -0.009 0.000 1.052 271 V CA -0.389 61.896 62.300 -0.025 0.000 0.885 271 V CB 1.661 33.478 31.823 -0.011 0.000 0.999 271 V HN 0.758 nan 8.190 nan 0.000 0.424 272 T N 4.105 118.658 114.554 -0.001 0.000 2.797 272 T HA 0.665 5.015 4.350 -0.000 0.000 0.279 272 T C -0.516 174.199 174.700 0.025 0.000 0.991 272 T CA -0.374 61.732 62.100 0.010 0.000 0.979 272 T CB 1.596 70.465 68.868 0.003 0.000 0.943 272 T HN 0.389 nan 8.240 nan 0.000 0.444 273 V N 3.767 123.710 119.914 0.048 0.000 2.487 273 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 273 V C -0.140 176.020 176.094 0.109 0.000 1.028 273 V CA -0.939 61.406 62.300 0.076 0.000 0.860 273 V CB 1.857 33.729 31.823 0.082 0.000 0.991 273 V HN 0.842 nan 8.190 nan 0.000 0.427 274 E N 4.035 124.286 120.200 0.084 0.000 2.191 274 E HA 0.671 5.021 4.350 -0.000 0.000 0.274 274 E C -1.568 175.108 176.600 0.126 0.000 0.948 274 E CA -0.568 55.854 56.400 0.037 0.000 0.802 274 E CB 2.340 32.036 29.700 -0.007 0.000 1.137 274 E HN 0.744 nan 8.360 nan 0.000 0.397 275 Y N -1.995 118.296 120.300 -0.014 0.000 2.597 275 Y HA 0.507 5.057 4.550 -0.000 0.000 0.340 275 Y C -0.952 174.941 175.900 -0.011 0.000 1.097 275 Y CA -1.170 56.919 58.100 -0.018 0.000 1.037 275 Y CB 1.194 39.633 38.460 -0.036 0.000 1.305 275 Y HN 0.149 nan 8.280 nan 0.000 0.463 276 T N 2.541 117.196 114.554 0.168 0.000 2.758 276 T HA 0.798 5.148 4.350 -0.000 0.000 0.285 276 T C -0.702 174.108 174.700 0.185 0.000 0.981 276 T CA -0.309 61.848 62.100 0.094 0.000 0.965 276 T CB 0.837 69.742 68.868 0.062 0.000 0.927 276 T HN 0.950 nan 8.240 nan 0.000 0.448 277 A N 1.949 124.864 122.820 0.159 0.000 2.375 277 A HA 0.741 5.061 4.320 -0.000 0.000 0.295 277 A C 0.905 178.546 177.584 0.095 0.000 1.066 277 A CA -0.263 51.875 52.037 0.168 0.000 0.722 277 A CB 0.598 19.770 19.000 0.287 0.000 1.206 277 A HN 1.404 nan 8.150 nan 0.000 0.435 278 G N 1.238 110.085 108.800 0.078 0.000 2.221 278 G HA2 0.153 4.113 3.960 -0.000 0.000 0.265 278 G HA3 0.153 4.113 3.960 -0.000 0.000 0.265 278 G C 1.629 176.554 174.900 0.041 0.000 1.041 278 G CA 1.240 46.374 45.100 0.056 0.000 0.807 278 G HN 2.846 nan 8.290 nan 0.000 0.502 279 G N -1.999 106.826 108.800 0.041 0.000 2.168 279 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.263 279 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.263 279 G C 0.447 175.354 174.900 0.012 0.000 0.977 279 G CA 1.249 46.366 45.100 0.027 0.000 0.659 279 G HN 2.041 nan 8.290 nan 0.000 0.533 280 S N -0.015 115.690 115.700 0.008 0.000 2.472 280 S HA 0.635 5.105 4.470 -0.000 0.000 0.303 280 S C 0.051 174.615 174.600 -0.060 0.000 1.099 280 S CA -0.786 57.402 58.200 -0.020 0.000 1.077 280 S CB 0.773 63.965 63.200 -0.015 0.000 1.031 280 S HN 0.229 nan 8.310 nan 0.000 0.487 281 K N 4.112 124.462 120.400 -0.083 0.000 2.297 281 K HA 0.428 4.748 4.320 -0.000 0.000 0.286 281 K C -0.233 176.228 176.600 -0.232 0.000 1.053 281 K CA -0.358 55.846 56.287 -0.138 0.000 0.940 281 K CB 0.626 33.070 32.500 -0.093 0.000 1.019 281 K HN 0.485 nan 8.250 nan 0.000 0.475 282 K N 0.554 120.682 120.400 -0.455 0.000 2.400 282 K HA 0.482 4.801 4.320 -0.000 0.000 0.246 282 K C -0.547 175.698 176.600 -0.593 0.000 0.995 282 K CA -0.799 55.120 56.287 -0.614 0.000 0.840 282 K CB 2.385 34.271 32.500 -1.024 0.000 1.293 282 K HN 0.508 nan 8.250 nan 0.000 0.445 283 S N 0.742 116.235 115.700 -0.344 0.000 2.536 283 S HA 0.697 5.167 4.470 -0.000 0.000 0.271 283 S C -1.527 173.069 174.600 -0.007 0.000 1.134 283 S CA -0.804 57.314 58.200 -0.138 0.000 0.897 283 S CB 0.921 64.070 63.200 -0.084 0.000 1.094 283 S HN 0.585 nan 8.310 nan 0.000 0.473 284 I N 3.048 123.665 120.570 0.078 0.000 2.619 284 I HA 0.607 4.777 4.170 -0.000 0.000 0.292 284 I C -1.262 174.886 176.117 0.051 0.000 1.100 284 I CA -0.147 61.206 61.300 0.089 0.000 1.043 284 I CB 2.278 40.372 38.000 0.156 0.000 1.239 284 I HN 0.638 nan 8.210 nan 0.000 0.420 285 T N 6.463 121.034 114.554 0.028 0.000 2.807 285 T HA 0.831 5.180 4.350 -0.000 0.000 0.279 285 T C -0.519 174.185 174.700 0.006 0.000 0.993 285 T CA -0.520 61.586 62.100 0.010 0.000 0.970 285 T CB 1.570 70.435 68.868 -0.004 0.000 0.950 285 T HN 0.705 nan 8.240 nan 0.000 0.441 286 A N 1.700 124.520 122.820 0.000 0.000 2.479 286 A HA 0.682 5.002 4.320 -0.000 0.000 0.296 286 A C 0.521 178.077 177.584 -0.047 0.000 1.121 286 A CA -0.736 51.302 52.037 0.002 0.000 0.743 286 A CB 1.011 20.030 19.000 0.033 0.000 1.323 286 A HN 0.683 nan 8.150 nan 0.000 0.415 287 D N -0.640 119.722 120.400 -0.064 0.000 2.178 287 D HA -0.001 4.639 4.640 -0.000 0.000 0.201 287 D C -0.463 175.493 176.300 -0.574 0.000 0.980 287 D CA 2.195 56.037 54.000 -0.262 0.000 0.842 287 D CB -0.076 40.628 40.800 -0.161 0.000 0.948 287 D HN 0.496 nan 8.370 nan 0.000 0.472 288 Y N -1.118 119.230 120.300 0.079 0.000 2.562 288 Y HA 0.566 5.116 4.550 -0.000 0.000 0.345 288 Y C -0.313 175.613 175.900 0.043 0.000 1.045 288 Y CA -1.401 56.749 58.100 0.083 0.000 1.028 288 Y CB 1.910 40.415 38.460 0.076 0.000 1.297 288 Y HN -0.224 nan 8.280 nan 0.000 0.463 289 A N 2.290 125.233 122.820 0.204 0.000 2.350 289 A HA 0.872 5.192 4.320 -0.000 0.000 0.324 289 A C -1.305 176.334 177.584 0.092 0.000 1.118 289 A CA -0.694 51.400 52.037 0.094 0.000 0.783 289 A CB 0.732 19.751 19.000 0.032 0.000 1.236 289 A HN 0.689 nan 8.150 nan 0.000 0.457 290 I N 1.608 122.189 120.570 0.018 0.000 2.382 290 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 290 I C -0.608 175.506 176.117 -0.005 0.000 1.002 290 I CA -0.332 60.967 61.300 -0.001 0.000 1.135 290 I CB 1.557 39.522 38.000 -0.058 0.000 1.288 290 I HN 0.643 nan 8.210 nan 0.000 0.448 291 C N 5.603 124.911 119.300 0.012 0.000 2.239 291 C HA 0.405 4.865 4.460 -0.000 0.000 0.323 291 C C 1.536 176.633 174.990 0.178 0.000 1.205 291 C CA -0.190 58.873 59.018 0.076 0.000 1.584 291 C CB -0.406 27.388 27.740 0.089 0.000 2.201 291 C HN 0.923 nan 8.230 nan 0.000 0.475 292 T N 3.082 117.696 114.554 0.100 0.000 3.069 292 T HA 0.276 4.626 4.350 -0.000 0.000 0.252 292 T C 0.558 175.304 174.700 0.075 0.000 1.053 292 T CA -0.132 62.035 62.100 0.111 0.000 0.964 292 T CB -0.355 68.529 68.868 0.027 0.000 1.005 292 T HN 0.662 nan 8.240 nan 0.000 0.532 293 I N 3.164 123.764 120.570 0.049 0.000 2.826 293 I HA 0.121 4.291 4.170 -0.000 0.000 0.295 293 I C -2.019 174.052 176.117 -0.077 0.000 1.213 293 I CA -1.720 59.573 61.300 -0.012 0.000 1.436 293 I CB 0.123 38.120 38.000 -0.005 0.000 1.348 293 I HN 0.048 nan 8.210 nan 0.000 0.570 294 P HA -0.056 nan 4.420 nan 0.000 0.264 294 P C -1.822 175.228 177.300 -0.416 0.000 1.179 294 P CA -0.772 62.141 63.100 -0.311 0.000 0.763 294 P CB -0.015 31.506 31.700 -0.298 0.000 0.806 295 P HA -0.199 nan 4.420 nan 0.000 0.217 295 P C 1.129 178.301 177.300 -0.214 0.000 1.150 295 P CA 1.867 64.772 63.100 -0.324 0.000 0.832 295 P CB -0.520 30.956 31.700 -0.373 0.000 0.787 296 H N -1.255 117.696 119.070 -0.198 0.000 2.521 296 H HA 0.062 4.618 4.556 -0.000 0.000 0.286 296 H C 1.858 177.140 175.328 -0.078 0.000 1.034 296 H CA 0.504 56.474 56.048 -0.129 0.000 1.278 296 H CB -1.241 28.444 29.762 -0.129 0.000 1.386 296 H HN 0.099 nan 8.280 nan 0.000 0.567 297 L N 0.376 121.323 121.223 -0.460 0.000 2.446 297 L HA 0.043 4.383 4.340 -0.000 0.000 0.219 297 L C 1.850 178.653 176.870 -0.112 0.000 1.116 297 L CA 0.016 54.700 54.840 -0.259 0.000 0.844 297 L CB 0.149 42.028 42.059 -0.301 0.000 0.970 297 L HN 0.235 nan 8.230 nan 0.000 0.457 298 V N 0.543 120.396 119.914 -0.100 0.000 2.515 298 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 298 V C 2.576 178.679 176.094 0.015 0.000 1.058 298 V CA 1.909 64.203 62.300 -0.010 0.000 1.064 298 V CB -0.938 30.895 31.823 0.016 0.000 0.675 298 V HN 0.562 nan 8.190 nan 0.000 0.461 299 G N -0.142 108.654 108.800 -0.006 0.000 2.443 299 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 299 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 299 G C 1.709 176.619 174.900 0.015 0.000 1.131 299 G CA 0.270 45.377 45.100 0.011 0.000 0.775 299 G HN 0.448 nan 8.290 nan 0.000 0.547 300 R N -0.498 120.007 120.500 0.008 0.000 2.189 300 R HA 0.158 4.498 4.340 -0.000 0.000 0.218 300 R C 0.600 176.914 176.300 0.023 0.000 1.074 300 R CA -0.098 56.010 56.100 0.013 0.000 0.991 300 R CB -0.244 30.061 30.300 0.008 0.000 0.883 300 R HN 0.295 nan 8.270 nan 0.000 0.457 301 L N 2.069 123.310 121.223 0.030 0.000 2.439 301 L HA 0.033 4.373 4.340 -0.000 0.000 0.269 301 L C 0.529 177.421 176.870 0.036 0.000 1.179 301 L CA -0.362 54.501 54.840 0.038 0.000 0.828 301 L CB 0.352 42.440 42.059 0.049 0.000 1.106 301 L HN 0.046 nan 8.230 nan 0.000 0.467 302 Q N 4.430 124.250 119.800 0.033 0.000 2.289 302 Q HA 0.153 4.493 4.340 -0.000 0.000 0.273 302 Q C -0.564 175.456 176.000 0.034 0.000 1.029 302 Q CA 0.297 56.118 55.803 0.029 0.000 0.896 302 Q CB 0.595 29.347 28.738 0.023 0.000 1.182 302 Q HN 0.741 nan 8.270 nan 0.000 0.385 303 N N 0.810 119.530 118.700 0.034 0.000 2.825 303 N HA 0.232 4.972 4.740 -0.000 0.000 0.253 303 N C -0.993 174.538 175.510 0.035 0.000 1.426 303 N CA -0.656 52.418 53.050 0.040 0.000 0.851 303 N CB 0.908 39.431 38.487 0.060 0.000 1.470 303 N HN 0.337 nan 8.380 nan 0.000 0.517 304 N N 0.248 118.969 118.700 0.035 0.000 2.571 304 N HA 0.249 4.988 4.740 -0.000 0.000 0.298 304 N C -0.936 174.596 175.510 0.036 0.000 1.671 304 N CA -0.366 52.701 53.050 0.029 0.000 0.900 304 N CB -0.006 38.491 38.487 0.018 0.000 1.365 304 N HN 0.458 nan 8.380 nan 0.000 0.493 305 L N 0.285 121.541 121.223 0.057 0.000 2.397 305 L HA 0.431 4.771 4.340 -0.000 0.000 0.271 305 L C -1.810 175.097 176.870 0.062 0.000 1.148 305 L CA -1.723 53.163 54.840 0.077 0.000 0.825 305 L CB 0.292 42.429 42.059 0.130 0.000 1.117 305 L HN -0.046 nan 8.230 nan 0.000 0.456 306 P HA 0.007 nan 4.420 nan 0.000 0.269 306 P C 0.761 178.091 177.300 0.050 0.000 1.209 306 P CA -0.010 63.119 63.100 0.047 0.000 0.776 306 P CB 0.786 32.512 31.700 0.044 0.000 0.876 307 G N 2.666 111.489 108.800 0.039 0.000 2.513 307 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 307 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 307 G C 1.076 176.001 174.900 0.041 0.000 1.160 307 G CA 1.114 46.236 45.100 0.037 0.000 0.767 307 G HN 0.636 nan 8.290 nan 0.000 0.571 308 D N 0.518 120.943 120.400 0.042 0.000 2.264 308 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 308 D C 2.358 178.691 176.300 0.056 0.000 0.966 308 D CA 0.918 54.946 54.000 0.046 0.000 0.864 308 D CB -0.595 40.230 40.800 0.040 0.000 0.933 308 D HN 0.285 nan 8.370 nan 0.000 0.499 309 V N 0.743 120.696 119.914 0.066 0.000 2.488 309 V HA -0.110 4.010 4.120 -0.000 0.000 0.246 309 V C 2.737 178.864 176.094 0.055 0.000 1.046 309 V CA 0.827 63.176 62.300 0.083 0.000 1.053 309 V CB -0.424 31.482 31.823 0.139 0.000 0.679 309 V HN 0.189 nan 8.190 nan 0.000 0.458 310 L N -0.314 120.941 121.223 0.053 0.000 2.201 310 L HA -0.127 4.212 4.340 -0.000 0.000 0.212 310 L C 2.502 179.390 176.870 0.030 0.000 1.105 310 L CA 1.503 56.364 54.840 0.036 0.000 0.775 310 L CB -0.740 41.342 42.059 0.039 0.000 0.913 310 L HN 0.353 nan 8.230 nan 0.000 0.440 311 T N -0.371 114.207 114.554 0.041 0.000 2.851 311 T HA -0.020 4.329 4.350 -0.000 0.000 0.262 311 T C 2.046 176.787 174.700 0.067 0.000 1.043 311 T CA 1.060 63.188 62.100 0.047 0.000 1.140 311 T CB -0.029 68.867 68.868 0.048 0.000 0.872 311 T HN 0.400 nan 8.240 nan 0.000 0.446 312 A N 1.442 124.310 122.820 0.079 0.000 1.902 312 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 312 A C 2.235 179.913 177.584 0.157 0.000 1.181 312 A CA 1.170 53.288 52.037 0.135 0.000 0.623 312 A CB -0.896 18.175 19.000 0.119 0.000 0.818 312 A HN 0.468 nan 8.150 nan 0.000 0.443 313 L N -0.886 120.363 121.223 0.042 0.000 2.127 313 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 313 L C 2.237 179.086 176.870 -0.035 0.000 1.089 313 L CA 1.540 56.357 54.840 -0.037 0.000 0.757 313 L CB -0.324 41.663 42.059 -0.120 0.000 0.899 313 L HN 0.334 nan 8.230 nan 0.000 0.434 314 K N -0.252 120.152 120.400 0.005 0.000 2.486 314 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 314 K C 1.908 178.509 176.600 0.001 0.000 1.033 314 K CA 0.612 56.898 56.287 -0.001 0.000 1.004 314 K CB 0.046 32.555 32.500 0.014 0.000 0.798 314 K HN 0.246 nan 8.250 nan 0.000 0.495 315 A N 1.127 123.981 122.820 0.057 0.000 2.123 315 A HA 0.158 4.478 4.320 -0.000 0.000 0.214 315 A C 1.257 178.815 177.584 -0.042 0.000 1.152 315 A CA 0.411 52.519 52.037 0.118 0.000 0.728 315 A CB 0.080 19.273 19.000 0.322 0.000 0.814 315 A HN 0.201 nan 8.150 nan 0.000 0.464 316 A N 1.597 124.183 122.820 -0.390 0.000 2.922 316 A HA 0.427 4.747 4.320 -0.000 0.000 0.298 316 A C -0.118 177.192 177.584 -0.457 0.000 1.588 316 A CA -0.514 50.986 52.037 -0.896 0.000 1.288 316 A CB -0.250 17.982 19.000 -1.280 0.000 1.130 316 A HN 0.172 nan 8.150 nan 0.000 0.557 317 K N 3.164 123.379 120.400 -0.308 0.000 2.368 317 K HA 0.263 4.583 4.320 -0.000 0.000 0.282 317 K C -2.626 173.808 176.600 -0.276 0.000 1.035 317 K CA -2.060 54.094 56.287 -0.223 0.000 0.973 317 K CB 0.595 33.024 32.500 -0.118 0.000 0.957 317 K HN 0.394 nan 8.250 nan 0.000 0.474 318 P HA 0.069 nan 4.420 nan 0.000 0.272 318 P C -0.713 176.417 177.300 -0.284 0.000 1.223 318 P CA -0.192 62.642 63.100 -0.442 0.000 0.784 318 P CB 0.723 32.047 31.700 -0.627 0.000 0.923 319 S N 0.226 115.728 115.700 -0.331 0.000 2.542 319 S HA 0.488 4.958 4.470 -0.000 0.000 0.293 319 S C -0.330 174.054 174.600 -0.360 0.000 1.089 319 S CA -0.648 57.351 58.200 -0.334 0.000 0.961 319 S CB 1.298 64.209 63.200 -0.482 0.000 1.062 319 S HN 0.550 nan 8.310 nan 0.000 0.483 320 S N 0.985 116.550 115.700 -0.225 0.000 2.525 320 S HA 0.819 5.289 4.470 -0.000 0.000 0.278 320 S C -0.266 174.247 174.600 -0.144 0.000 1.234 320 S CA -0.614 57.507 58.200 -0.132 0.000 1.058 320 S CB 1.271 64.451 63.200 -0.034 0.000 0.983 320 S HN 0.627 nan 8.310 nan 0.000 0.495 321 S N 0.880 116.569 115.700 -0.019 0.000 2.543 321 S HA 0.802 5.271 4.470 -0.000 0.000 0.274 321 S C -0.577 174.273 174.600 0.415 0.000 1.149 321 S CA -0.136 58.167 58.200 0.172 0.000 0.866 321 S CB 1.178 64.418 63.200 0.067 0.000 1.111 321 S HN 1.555 nan 8.310 nan 0.000 0.457 322 G N 2.199 111.281 108.800 0.470 0.000 2.608 322 G HA2 0.678 4.638 3.960 -0.000 0.000 0.291 322 G HA3 0.678 4.638 3.960 -0.000 0.000 0.291 322 G C -2.254 172.959 174.900 0.521 0.000 1.425 322 G CA -0.758 44.616 45.100 0.456 0.000 0.787 322 G HN 0.690 nan 8.290 nan 0.000 0.484 323 K N -0.812 119.784 120.400 0.327 0.000 2.509 323 K HA 0.738 5.058 4.320 -0.000 0.000 0.266 323 K C -1.688 174.674 176.600 -0.397 0.000 0.987 323 K CA -0.836 55.487 56.287 0.061 0.000 0.868 323 K CB 3.210 35.821 32.500 0.185 0.000 1.421 323 K HN 0.415 nan 8.250 nan 0.000 0.444 324 L N 0.470 121.148 121.223 -0.908 0.000 2.516 324 L HA 0.544 4.883 4.340 -0.000 0.000 0.267 324 L C -0.965 175.465 176.870 -0.733 0.000 0.957 324 L CA -0.325 54.035 54.840 -0.801 0.000 0.860 324 L CB 1.886 43.251 42.059 -1.156 0.000 1.265 324 L HN 0.824 nan 8.230 nan 0.000 0.403 325 G N 5.351 113.742 108.800 -0.681 0.000 2.356 325 G HA2 0.675 4.634 3.960 -0.000 0.000 0.322 325 G HA3 0.675 4.634 3.960 -0.000 0.000 0.322 325 G C -1.002 173.818 174.900 -0.133 0.000 1.125 325 G CA -0.475 44.225 45.100 -0.667 0.000 0.885 325 G HN 0.519 nan 8.290 nan 0.000 0.467 326 I N 1.087 121.513 120.570 -0.240 0.000 2.418 326 I HA 0.259 4.429 4.170 -0.000 0.000 0.287 326 I C -0.045 175.892 176.117 -0.300 0.000 1.008 326 I CA -0.628 60.538 61.300 -0.223 0.000 1.104 326 I CB 2.390 40.154 38.000 -0.393 0.000 1.264 326 I HN 0.485 nan 8.210 nan 0.000 0.438 327 E N 6.023 126.097 120.200 -0.211 0.000 2.229 327 E HA 0.291 4.641 4.350 -0.000 0.000 0.283 327 E C -1.604 174.874 176.600 -0.204 0.000 1.030 327 E CA -0.343 55.923 56.400 -0.222 0.000 0.836 327 E CB 0.812 30.424 29.700 -0.146 0.000 1.068 327 E HN 0.396 nan 8.360 nan 0.000 0.401 328 Y N 1.461 121.749 120.300 -0.020 0.000 2.420 328 Y HA 0.107 4.656 4.550 -0.000 0.000 0.334 328 Y C 1.321 177.217 175.900 -0.007 0.000 1.094 328 Y CA -0.493 57.649 58.100 0.070 0.000 1.126 328 Y CB 2.029 40.650 38.460 0.268 0.000 1.217 328 Y HN 0.597 nan 8.280 nan 0.000 0.462 329 S N 1.321 117.116 115.700 0.158 0.000 2.671 329 S HA 0.241 4.711 4.470 -0.000 0.000 0.220 329 S C 0.304 174.919 174.600 0.025 0.000 0.951 329 S CA -0.324 57.901 58.200 0.042 0.000 0.932 329 S CB -0.112 63.105 63.200 0.030 0.000 0.777 329 S HN 0.693 nan 8.310 nan 0.000 0.508 330 R N 0.695 121.230 120.500 0.057 0.000 2.535 330 R HA 0.336 4.676 4.340 -0.000 0.000 0.274 330 R C -1.341 174.781 176.300 -0.296 0.000 1.090 330 R CA -0.572 55.497 56.100 -0.052 0.000 0.930 330 R CB 1.073 31.408 30.300 0.058 0.000 1.223 330 R HN 0.135 nan 8.270 nan 0.000 0.441 331 R N 5.173 125.294 120.500 -0.632 0.000 4.138 331 R HA 0.078 4.418 4.340 -0.000 0.000 0.206 331 R C 0.869 176.354 176.300 -1.359 0.000 1.667 331 R CA -0.170 54.999 56.100 -1.552 0.000 1.481 331 R CB 0.062 29.582 30.300 -1.300 0.000 1.388 331 R HN 0.650 nan 8.270 nan 0.000 0.776 332 W N 0.835 121.679 121.300 -0.760 0.000 2.425 332 W HA -0.181 4.479 4.660 -0.000 0.000 0.277 332 W C 0.677 177.009 176.519 -0.312 0.000 1.231 332 W CA 0.235 57.354 57.345 -0.377 0.000 1.248 332 W CB -0.859 28.494 29.460 -0.178 0.000 1.117 332 W HN 0.483 nan 8.180 nan 0.000 0.568 333 W N 1.777 122.530 121.300 -0.913 0.000 2.388 333 W HA 0.007 4.667 4.660 -0.000 0.000 0.294 333 W C 1.813 177.981 176.519 -0.586 0.000 1.212 333 W CA 1.739 58.572 57.345 -0.854 0.000 1.271 333 W CB -1.229 27.319 29.460 -1.520 0.000 1.126 333 W HN -0.112 nan 8.180 nan 0.000 0.535 334 E N 0.518 120.125 120.200 -0.988 0.000 2.033 334 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 334 E C 2.457 178.777 176.600 -0.466 0.000 0.979 334 E CA 2.090 57.928 56.400 -0.937 0.000 0.802 334 E CB -0.405 28.502 29.700 -1.321 0.000 0.763 334 E HN 0.383 nan 8.360 nan 0.000 0.449 335 T N -0.855 113.455 114.554 -0.407 0.000 2.857 335 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 335 T C 1.699 176.359 174.700 -0.066 0.000 1.048 335 T CA 1.146 63.135 62.100 -0.185 0.000 1.139 335 T CB -0.094 68.672 68.868 -0.170 0.000 0.874 335 T HN 0.071 nan 8.240 nan 0.000 0.455 336 E N 0.694 120.883 120.200 -0.019 0.000 2.110 336 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 336 E C 1.678 178.338 176.600 0.100 0.000 0.950 336 E CA 0.673 57.116 56.400 0.071 0.000 0.840 336 E CB 0.200 29.986 29.700 0.142 0.000 0.809 336 E HN 0.402 nan 8.360 nan 0.000 0.465 337 D N 0.279 120.747 120.400 0.113 0.000 2.349 337 D HA 0.018 4.658 4.640 -0.000 0.000 0.215 337 D C -0.058 176.288 176.300 0.076 0.000 1.016 337 D CA 0.186 54.275 54.000 0.148 0.000 0.870 337 D CB 0.353 41.260 40.800 0.178 0.000 0.917 337 D HN -0.044 nan 8.370 nan 0.000 0.524 338 R N 0.198 120.710 120.500 0.020 0.000 3.422 338 R HA -0.184 4.155 4.340 -0.000 0.000 0.267 338 R C -0.400 175.943 176.300 0.071 0.000 1.074 338 R CA 0.317 56.462 56.100 0.074 0.000 0.718 338 R CB -2.886 27.484 30.300 0.116 0.000 1.157 338 R HN 0.334 nan 8.270 nan 0.000 0.440 339 I N 1.083 121.594 120.570 -0.099 0.000 2.330 339 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 339 I C 0.042 176.078 176.117 -0.136 0.000 1.001 339 I CA -0.616 60.602 61.300 -0.136 0.000 1.193 339 I CB 0.827 38.556 38.000 -0.452 0.000 1.345 339 I HN -0.008 nan 8.210 nan 0.000 0.461 340 Y N 5.130 125.402 120.300 -0.047 0.000 2.575 340 Y HA 0.551 5.100 4.550 -0.000 0.000 0.326 340 Y C 0.915 176.861 175.900 0.077 0.000 0.979 340 Y CA -0.348 57.758 58.100 0.010 0.000 1.286 340 Y CB 1.433 39.757 38.460 -0.228 0.000 1.093 340 Y HN 0.826 nan 8.280 nan 0.000 0.501 341 G N 1.486 110.474 108.800 0.313 0.000 2.796 341 G HA2 0.264 4.224 3.960 -0.000 0.000 0.226 341 G HA3 0.264 4.224 3.960 -0.000 0.000 0.226 341 G C 0.152 175.148 174.900 0.161 0.000 1.381 341 G CA -0.229 45.010 45.100 0.231 0.000 0.867 341 G HN 1.605 nan 8.290 nan 0.000 0.552 342 G N -1.746 107.101 108.800 0.079 0.000 2.660 342 G HA2 0.500 4.460 3.960 -0.000 0.000 0.215 342 G HA3 0.500 4.460 3.960 -0.000 0.000 0.215 342 G C 0.141 175.156 174.900 0.191 0.000 1.345 342 G CA 1.017 46.183 45.100 0.110 0.000 0.877 342 G HN 2.964 nan 8.290 nan 0.000 0.549 343 A N -1.022 121.930 122.820 0.221 0.000 2.486 343 A HA 0.883 5.203 4.320 -0.000 0.000 0.300 343 A C -0.011 177.766 177.584 0.322 0.000 1.048 343 A CA 0.720 52.886 52.037 0.215 0.000 0.696 343 A CB 1.696 20.787 19.000 0.152 0.000 1.278 343 A HN 1.868 nan 8.150 nan 0.000 0.405 344 S N 1.381 117.272 115.700 0.319 0.000 2.586 344 S HA 0.435 4.904 4.470 -0.000 0.000 0.274 344 S C 0.005 174.726 174.600 0.202 0.000 1.281 344 S CA -0.666 57.727 58.200 0.322 0.000 1.035 344 S CB 0.707 64.156 63.200 0.415 0.000 0.962 344 S HN 0.720 nan 8.310 nan 0.000 0.512 345 N N 0.598 119.377 118.700 0.133 0.000 2.272 345 N HA 0.541 5.281 4.740 -0.000 0.000 0.305 345 N C -1.255 174.238 175.510 -0.029 0.000 1.103 345 N CA -0.108 52.997 53.050 0.092 0.000 0.791 345 N CB 2.090 40.690 38.487 0.189 0.000 1.356 345 N HN 0.578 nan 8.380 nan 0.000 0.486 346 T N -0.244 114.354 114.554 0.072 0.000 2.802 346 T HA 0.147 4.497 4.350 -0.000 0.000 0.311 346 T C -0.467 174.359 174.700 0.210 0.000 1.405 346 T CA -0.496 61.631 62.100 0.046 0.000 1.016 346 T CB 0.887 69.747 68.868 -0.014 0.000 1.352 346 T HN 0.619 nan 8.240 nan 0.000 0.498 347 D N 0.963 121.518 120.400 0.258 0.000 2.349 347 D HA 0.119 4.759 4.640 -0.000 0.000 0.215 347 D C 0.431 176.785 176.300 0.090 0.000 1.016 347 D CA 0.176 54.278 54.000 0.170 0.000 0.870 347 D CB -0.058 40.840 40.800 0.163 0.000 0.917 347 D HN 0.450 nan 8.370 nan 0.000 0.524 348 K N 0.754 121.198 120.400 0.074 0.000 2.286 348 K HA -0.001 4.319 4.320 -0.000 0.000 0.256 348 K C 0.644 177.288 176.600 0.073 0.000 0.999 348 K CA -0.201 56.118 56.287 0.053 0.000 0.908 348 K CB 0.607 33.134 32.500 0.045 0.000 0.981 348 K HN -0.174 nan 8.250 nan 0.000 0.500 349 D N 1.332 121.769 120.400 0.061 0.000 2.149 349 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 349 D C 1.758 178.221 176.300 0.271 0.000 0.990 349 D CA 1.430 55.489 54.000 0.100 0.000 0.839 349 D CB -0.301 40.445 40.800 -0.090 0.000 0.948 349 D HN 0.586 nan 8.370 nan 0.000 0.460 350 I N -1.686 119.051 120.570 0.279 0.000 2.248 350 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 350 I C 1.300 177.503 176.117 0.144 0.000 1.107 350 I CA 1.168 62.597 61.300 0.216 0.000 1.373 350 I CB -0.176 37.952 38.000 0.214 0.000 1.055 350 I HN -0.167 nan 8.210 nan 0.000 0.418 351 S N 0.079 115.850 115.700 0.118 0.000 1.537 351 S HA -0.297 4.173 4.470 -0.000 0.000 0.241 351 S C 0.382 175.027 174.600 0.075 0.000 0.763 351 S CA 1.684 59.935 58.200 0.084 0.000 1.304 351 S CB -1.136 62.096 63.200 0.052 0.000 1.584 351 S HN 0.970 nan 8.310 nan 0.000 0.514 352 Q N -0.320 119.533 119.800 0.088 0.000 2.479 352 Q HA 0.754 5.094 4.340 -0.000 0.000 0.276 352 Q C -1.758 174.284 176.000 0.070 0.000 0.989 352 Q CA -0.896 54.956 55.803 0.082 0.000 0.864 352 Q CB 1.425 30.204 28.738 0.068 0.000 1.444 352 Q HN 0.447 nan 8.270 nan 0.000 0.388 353 I N 2.535 123.113 120.570 0.014 0.000 2.362 353 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 353 I C -0.526 175.357 176.117 -0.389 0.000 0.994 353 I CA -0.787 60.413 61.300 -0.166 0.000 1.158 353 I CB 1.535 39.447 38.000 -0.147 0.000 1.315 353 I HN 0.531 nan 8.210 nan 0.000 0.451 354 M N 6.244 125.567 119.600 -0.462 0.000 2.227 354 M HA 0.494 4.974 4.480 -0.000 0.000 0.335 354 M C -1.120 174.751 176.300 -0.714 0.000 1.053 354 M CA -0.402 54.667 55.300 -0.384 0.000 0.973 354 M CB 1.446 34.018 32.600 -0.046 0.000 1.623 354 M HN 0.259 nan 8.290 nan 0.000 0.434 355 F N 3.600 123.374 119.950 -0.294 0.000 2.422 355 F HA 0.546 5.073 4.527 -0.000 0.000 0.333 355 F C -1.815 173.779 175.800 -0.344 0.000 1.095 355 F CA -2.183 55.498 58.000 -0.532 0.000 1.038 355 F CB 0.647 39.298 39.000 -0.581 0.000 1.156 355 F HN 0.339 nan 8.300 nan 0.000 0.483 356 P HA 0.013 nan 4.420 nan 0.000 0.271 356 P C -0.690 176.500 177.300 -0.183 0.000 1.218 356 P CA -0.090 62.806 63.100 -0.338 0.000 0.780 356 P CB 0.363 31.849 31.700 -0.357 0.000 0.901 357 Y N -0.455 119.752 120.300 -0.154 0.000 2.625 357 Y HA 0.397 4.947 4.550 -0.000 0.000 0.285 357 Y C -0.341 175.258 175.900 -0.500 0.000 1.168 357 Y CA -1.098 56.897 58.100 -0.176 0.000 1.250 357 Y CB -0.580 37.800 38.460 -0.134 0.000 1.130 357 Y HN 0.214 nan 8.280 nan 0.000 0.526 358 D N -3.333 116.649 120.400 -0.696 0.000 2.626 358 D HA 0.209 4.849 4.640 -0.000 0.000 0.278 358 D C -0.189 175.801 176.300 -0.516 0.000 1.211 358 D CA -0.880 52.725 54.000 -0.658 0.000 0.903 358 D CB 0.310 40.868 40.800 -0.403 0.000 1.408 358 D HN 0.136 nan 8.370 nan 0.000 0.454 359 H N -1.335 117.529 119.070 -0.343 0.000 2.776 359 H HA -0.200 4.356 4.556 -0.000 0.000 0.300 359 H C -0.624 174.668 175.328 -0.059 0.000 1.161 359 H CA 0.630 56.578 56.048 -0.167 0.000 1.147 359 H CB -1.982 27.695 29.762 -0.143 0.000 1.366 359 H HN 0.352 nan 8.280 nan 0.000 0.397 360 Y N 1.060 121.431 120.300 0.117 0.000 2.712 360 Y HA -0.085 4.465 4.550 -0.000 0.000 0.333 360 Y C 1.672 177.644 175.900 0.119 0.000 1.225 360 Y CA 0.485 58.678 58.100 0.156 0.000 1.499 360 Y CB 0.232 38.825 38.460 0.222 0.000 1.288 360 Y HN 0.286 nan 8.280 nan 0.000 0.575 361 N N -0.472 118.378 118.700 0.250 0.000 2.800 361 N HA -0.235 4.505 4.740 -0.000 0.000 0.250 361 N C 0.099 175.635 175.510 0.044 0.000 1.078 361 N CA 1.038 54.158 53.050 0.116 0.000 0.804 361 N CB -1.066 37.513 38.487 0.152 0.000 1.135 361 N HN 0.512 nan 8.380 nan 0.000 0.565 362 S N 0.012 115.736 115.700 0.041 0.000 2.646 362 S HA 0.242 4.711 4.470 -0.000 0.000 0.273 362 S C 1.106 175.677 174.600 -0.049 0.000 1.168 362 S CA 0.205 58.426 58.200 0.035 0.000 1.013 362 S CB 0.697 63.969 63.200 0.119 0.000 1.098 362 S HN 0.311 nan 8.310 nan 0.000 0.544 363 D N -0.103 120.273 120.400 -0.040 0.000 2.339 363 D HA 0.073 4.713 4.640 -0.000 0.000 0.217 363 D C 0.541 176.771 176.300 -0.117 0.000 1.050 363 D CA 0.075 54.028 54.000 -0.079 0.000 0.856 363 D CB -0.093 40.679 40.800 -0.048 0.000 0.922 363 D HN 0.590 nan 8.370 nan 0.000 0.518 364 R N -2.099 118.322 120.500 -0.132 0.000 2.728 364 R HA 0.646 4.986 4.340 -0.000 0.000 0.274 364 R C -0.971 175.243 176.300 -0.144 0.000 1.030 364 R CA -0.900 55.093 56.100 -0.177 0.000 0.876 364 R CB 1.080 31.215 30.300 -0.276 0.000 1.259 364 R HN -0.018 nan 8.270 nan 0.000 0.468 365 G N 0.208 108.966 108.800 -0.070 0.000 2.489 365 G HA2 0.411 4.371 3.960 -0.000 0.000 0.291 365 G HA3 0.411 4.371 3.960 -0.000 0.000 0.291 365 G C -1.877 173.013 174.900 -0.016 0.000 1.487 365 G CA -0.646 44.492 45.100 0.064 0.000 0.795 365 G HN 0.363 nan 8.290 nan 0.000 0.513 366 V N 0.619 120.398 119.914 -0.225 0.000 2.370 366 V HA 0.517 4.637 4.120 -0.000 0.000 0.279 366 V C 0.220 176.017 176.094 -0.496 0.000 1.029 366 V CA -0.644 61.390 62.300 -0.443 0.000 0.870 366 V CB 1.236 32.626 31.823 -0.722 0.000 0.984 366 V HN 0.602 nan 8.190 nan 0.000 0.451 367 V N 5.668 125.277 119.914 -0.508 0.000 2.439 367 V HA 0.284 4.404 4.120 -0.000 0.000 0.282 367 V C 0.216 175.987 176.094 -0.539 0.000 1.039 367 V CA -0.596 61.317 62.300 -0.644 0.000 0.913 367 V CB 1.900 33.350 31.823 -0.621 0.000 0.983 367 V HN 0.614 nan 8.190 nan 0.000 0.460 368 V N 5.420 125.004 119.914 -0.550 0.000 2.276 368 V HA 0.159 4.279 4.120 -0.000 0.000 0.249 368 V C 1.430 177.316 176.094 -0.346 0.000 1.160 368 V CA 0.556 62.560 62.300 -0.492 0.000 1.042 368 V CB 0.225 31.854 31.823 -0.324 0.000 1.224 368 V HN 1.086 nan 8.190 nan 0.000 0.496 369 A N 5.086 127.728 122.820 -0.296 0.000 2.024 369 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 369 A C 0.758 178.356 177.584 0.024 0.000 1.164 369 A CA 1.521 53.527 52.037 -0.052 0.000 0.643 369 A CB -0.220 18.793 19.000 0.022 0.000 0.806 369 A HN 1.036 nan 8.150 nan 0.000 0.451 370 Y N -5.226 115.002 120.300 -0.120 0.000 2.558 370 Y HA 0.592 5.142 4.550 -0.000 0.000 0.333 370 Y C -1.349 174.565 175.900 0.022 0.000 1.125 370 Y CA -2.552 55.490 58.100 -0.097 0.000 1.039 370 Y CB 0.485 38.772 38.460 -0.289 0.000 1.331 370 Y HN 0.131 nan 8.280 nan 0.000 0.456 371 Y N 3.390 123.821 120.300 0.219 0.000 2.373 371 Y HA 0.710 5.260 4.550 -0.000 0.000 0.327 371 Y C -1.446 174.583 175.900 0.216 0.000 1.036 371 Y CA -1.199 57.039 58.100 0.230 0.000 1.265 371 Y CB 1.280 39.849 38.460 0.181 0.000 1.108 371 Y HN 0.916 nan 8.280 nan 0.000 0.471 372 S N 3.182 119.056 115.700 0.290 0.000 2.548 372 S HA 0.956 5.426 4.470 -0.000 0.000 0.286 372 S C -1.140 173.541 174.600 0.134 0.000 1.098 372 S CA -0.654 57.597 58.200 0.085 0.000 0.930 372 S CB 2.098 65.343 63.200 0.076 0.000 1.070 372 S HN 0.435 nan 8.310 nan 0.000 0.480 373 S N 0.628 116.379 115.700 0.086 0.000 2.595 373 S HA 0.937 5.407 4.470 -0.000 0.000 0.281 373 S C 0.690 175.351 174.600 0.102 0.000 1.117 373 S CA -0.047 58.230 58.200 0.127 0.000 0.873 373 S CB 1.055 64.389 63.200 0.222 0.000 1.108 373 S HN 2.036 nan 8.310 nan 0.000 0.477 374 G N 2.545 111.395 108.800 0.083 0.000 2.556 374 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.283 374 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.283 374 G C 0.851 175.777 174.900 0.043 0.000 1.177 374 G CA 0.842 45.978 45.100 0.061 0.000 0.978 374 G HN 0.765 nan 8.290 nan 0.000 0.554 375 K N 0.674 121.095 120.400 0.035 0.000 2.074 375 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 375 K C 2.536 179.143 176.600 0.013 0.000 1.048 375 K CA 1.911 58.207 56.287 0.015 0.000 0.926 375 K CB -0.209 32.297 32.500 0.010 0.000 0.713 375 K HN 0.488 nan 8.250 nan 0.000 0.444 376 R N -0.299 120.224 120.500 0.038 0.000 2.313 376 R HA -0.050 4.290 4.340 -0.000 0.000 0.199 376 R C 1.954 178.335 176.300 0.136 0.000 0.958 376 R CA 0.526 56.658 56.100 0.054 0.000 1.047 376 R CB 0.152 30.494 30.300 0.070 0.000 0.955 376 R HN 0.220 nan 8.270 nan 0.000 0.481 377 Q N 1.078 120.951 119.800 0.123 0.000 2.349 377 Q HA -0.013 4.327 4.340 -0.000 0.000 0.209 377 Q C 1.227 177.305 176.000 0.131 0.000 0.920 377 Q CA 1.151 57.061 55.803 0.179 0.000 0.901 377 Q CB 0.407 29.231 28.738 0.144 0.000 1.021 377 Q HN 0.213 nan 8.270 nan 0.000 0.519 378 E N 0.208 120.439 120.200 0.052 0.000 2.147 378 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 378 E C 1.720 178.299 176.600 -0.036 0.000 1.005 378 E CA 1.218 57.623 56.400 0.008 0.000 0.810 378 E CB -0.239 29.454 29.700 -0.013 0.000 0.736 378 E HN 0.497 nan 8.360 nan 0.000 0.460 379 A N 0.032 122.793 122.820 -0.098 0.000 2.024 379 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 379 A C 1.620 178.942 177.584 -0.437 0.000 1.164 379 A CA 1.210 53.075 52.037 -0.287 0.000 0.643 379 A CB -0.358 18.393 19.000 -0.415 0.000 0.806 379 A HN 0.206 nan 8.150 nan 0.000 0.451 380 F N -1.518 118.364 119.950 -0.113 0.000 2.559 380 F HA 0.181 4.708 4.527 -0.000 0.000 0.286 380 F C 2.053 177.835 175.800 -0.029 0.000 1.108 380 F CA 0.452 58.390 58.000 -0.102 0.000 1.436 380 F CB -0.236 38.629 39.000 -0.226 0.000 1.130 380 F HN 0.188 nan 8.300 nan 0.000 0.584 381 E N 0.335 120.622 120.200 0.146 0.000 2.086 381 E HA -0.216 4.134 4.350 -0.000 0.000 0.200 381 E C 1.753 178.386 176.600 0.054 0.000 1.012 381 E CA 1.860 58.316 56.400 0.093 0.000 0.812 381 E CB -0.089 29.644 29.700 0.054 0.000 0.743 381 E HN 0.196 nan 8.360 nan 0.000 0.453 382 S N -0.230 115.485 115.700 0.025 0.000 2.548 382 S HA 0.132 4.601 4.470 -0.000 0.000 0.215 382 S C 0.528 175.135 174.600 0.011 0.000 0.976 382 S CA -0.189 58.016 58.200 0.008 0.000 0.908 382 S CB 0.186 63.379 63.200 -0.011 0.000 0.781 382 S HN 0.115 nan 8.310 nan 0.000 0.519 383 L N 2.528 123.768 121.223 0.027 0.000 2.436 383 L HA 0.233 4.573 4.340 -0.000 0.000 0.265 383 L C 1.192 178.093 176.870 0.052 0.000 1.168 383 L CA -0.629 54.230 54.840 0.032 0.000 0.815 383 L CB 0.212 42.297 42.059 0.043 0.000 1.109 383 L HN 0.160 nan 8.230 nan 0.000 0.462 384 T N -3.102 111.475 114.554 0.038 0.000 2.802 384 T HA -0.034 4.315 4.350 -0.000 0.000 0.305 384 T C 1.027 175.769 174.700 0.070 0.000 1.053 384 T CA -0.113 62.017 62.100 0.049 0.000 1.058 384 T CB 0.657 69.546 68.868 0.034 0.000 0.988 384 T HN 0.687 nan 8.240 nan 0.000 0.539 385 H N 0.978 120.050 119.070 0.003 0.000 2.352 385 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 385 H C 2.360 177.704 175.328 0.026 0.000 1.097 385 H CA 1.936 57.982 56.048 -0.003 0.000 1.311 385 H CB -0.074 29.649 29.762 -0.066 0.000 1.377 385 H HN 0.641 nan 8.280 nan 0.000 0.504 386 R N -0.107 120.326 120.500 -0.112 0.000 2.091 386 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 386 R C 2.530 178.771 176.300 -0.097 0.000 1.136 386 R CA 2.021 58.048 56.100 -0.123 0.000 0.959 386 R CB -0.175 30.116 30.300 -0.016 0.000 0.856 386 R HN 0.578 nan 8.270 nan 0.000 0.437 387 Q N -0.242 119.534 119.800 -0.039 0.000 2.119 387 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 387 Q C 2.148 178.174 176.000 0.045 0.000 0.972 387 Q CA 1.154 56.956 55.803 -0.001 0.000 0.847 387 Q CB 0.004 28.747 28.738 0.007 0.000 0.903 387 Q HN 0.301 nan 8.270 nan 0.000 0.433 388 R N 0.188 120.728 120.500 0.067 0.000 2.073 388 R HA -0.151 4.188 4.340 -0.000 0.000 0.234 388 R C 2.284 178.695 176.300 0.186 0.000 1.134 388 R CA 1.076 57.329 56.100 0.256 0.000 0.952 388 R CB -0.424 30.038 30.300 0.270 0.000 0.850 388 R HN 0.159 nan 8.270 nan 0.000 0.433 389 L N 1.135 122.302 121.223 -0.094 0.000 1.994 389 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 389 L C 1.079 177.973 176.870 0.041 0.000 1.071 389 L CA 1.616 56.403 54.840 -0.089 0.000 0.745 389 L CB -0.869 41.038 42.059 -0.253 0.000 0.892 389 L HN 0.140 nan 8.230 nan 0.000 0.431 390 A N 0.012 122.846 122.820 0.023 0.000 0.000 390 A HA 0.440 4.760 4.320 -0.000 0.000 0.000 390 A C 0.381 178.026 177.584 0.101 0.000 0.000 390 A CA 1.276 53.345 52.037 0.052 0.000 0.000 390 A CB -0.398 18.617 19.000 0.025 0.000 0.000 390 A HN 0.722 nan 8.150 nan 0.000 0.000 391 K N -2.702 nan 120.400 nan 0.000 0.000 391 K HA 0.567 4.887 4.320 -0.000 0.000 0.000 391 K C 0.509 177.271 176.600 0.270 0.000 0.000 391 K CA -0.136 56.252 56.287 0.169 0.000 0.000 391 K CB -0.482 32.097 32.500 0.131 0.000 0.000 391 K HN 1.079 nan 8.250 nan 0.000 0.000 392 A N 0.516 123.554 122.820 0.364 0.000 1.933 392 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 392 A C 1.963 179.740 177.584 0.322 0.000 1.175 392 A CA 1.851 54.109 52.037 0.368 0.000 0.628 392 A CB -0.633 18.573 19.000 0.343 0.000 0.814 392 A HN 0.495 nan 8.150 nan 0.000 0.444 393 I N -0.468 120.279 120.570 0.294 0.000 2.252 393 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 393 I C 2.988 179.252 176.117 0.245 0.000 1.102 393 I CA 0.918 62.436 61.300 0.362 0.000 1.385 393 I CB -0.377 37.763 38.000 0.234 0.000 1.064 393 I HN 0.351 nan 8.210 nan 0.000 0.414 394 A N 0.787 123.698 122.820 0.152 0.000 1.865 394 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 394 A C 2.224 179.839 177.584 0.052 0.000 1.191 394 A CA 1.861 53.952 52.037 0.089 0.000 0.623 394 A CB -0.669 18.368 19.000 0.063 0.000 0.826 394 A HN 0.452 nan 8.150 nan 0.000 0.444 395 E N -0.817 119.419 120.200 0.060 0.000 2.072 395 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 395 E C 2.138 178.693 176.600 -0.075 0.000 0.985 395 E CA 0.748 57.160 56.400 0.020 0.000 0.801 395 E CB -0.402 29.342 29.700 0.073 0.000 0.750 395 E HN 0.611 nan 8.360 nan 0.000 0.452 396 G N 1.518 110.205 108.800 -0.188 0.000 2.432 396 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 396 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 396 G C 1.740 176.249 174.900 -0.653 0.000 1.135 396 G CA 1.163 45.815 45.100 -0.747 0.000 0.767 396 G HN 0.383 nan 8.290 nan 0.000 0.550 397 S N 0.348 115.912 115.700 -0.226 0.000 2.453 397 S HA -0.006 4.464 4.470 -0.000 0.000 0.231 397 S C 1.839 176.414 174.600 -0.043 0.000 1.005 397 S CA 1.365 59.547 58.200 -0.031 0.000 0.949 397 S CB -0.169 63.080 63.200 0.080 0.000 0.774 397 S HN 0.537 nan 8.310 nan 0.000 0.510 398 E N 0.428 120.591 120.200 -0.062 0.000 2.418 398 E HA 0.155 4.505 4.350 -0.000 0.000 0.197 398 E C 1.466 178.026 176.600 -0.067 0.000 1.026 398 E CA 0.811 57.181 56.400 -0.051 0.000 0.862 398 E CB -0.080 29.595 29.700 -0.041 0.000 0.799 398 E HN 0.661 nan 8.360 nan 0.000 0.518 399 I N -0.943 119.583 120.570 -0.073 0.000 3.565 399 I HA -0.020 4.150 4.170 -0.000 0.000 0.287 399 I C 1.498 177.575 176.117 -0.067 0.000 1.193 399 I CA 0.278 61.540 61.300 -0.065 0.000 1.402 399 I CB 0.373 38.368 38.000 -0.009 0.000 1.284 399 I HN 0.117 nan 8.210 nan 0.000 0.454 400 H N 0.876 120.010 119.070 0.107 0.000 2.784 400 H HA 0.366 4.921 4.556 -0.000 0.000 0.273 400 H C 0.748 176.105 175.328 0.049 0.000 1.112 400 H CA 0.787 56.960 56.048 0.208 0.000 1.162 400 H CB 0.886 30.796 29.762 0.247 0.000 1.586 400 H HN 0.367 nan 8.280 nan 0.000 0.548 401 G N 1.240 110.080 108.800 0.065 0.000 2.698 401 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.225 401 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.225 401 G C 0.659 175.561 174.900 0.004 0.000 1.345 401 G CA -0.181 44.930 45.100 0.019 0.000 0.871 401 G HN 0.201 nan 8.290 nan 0.000 0.540 402 E N 0.509 120.700 120.200 -0.014 0.000 2.204 402 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 402 E C 2.519 179.083 176.600 -0.061 0.000 0.989 402 E CA 1.537 57.929 56.400 -0.013 0.000 0.824 402 E CB -0.232 29.462 29.700 -0.010 0.000 0.756 402 E HN 0.763 nan 8.360 nan 0.000 0.477 403 K N -0.163 120.138 120.400 -0.164 0.000 2.281 403 K HA -0.187 4.133 4.320 -0.000 0.000 0.203 403 K C 1.963 178.230 176.600 -0.555 0.000 1.046 403 K CA 1.068 57.143 56.287 -0.353 0.000 0.938 403 K CB -0.502 31.724 32.500 -0.458 0.000 0.737 403 K HN 0.055 nan 8.250 nan 0.000 0.458 404 Y N 3.288 123.267 120.300 -0.535 0.000 2.333 404 Y HA -0.192 4.358 4.550 -0.000 0.000 0.290 404 Y C 2.473 178.432 175.900 0.099 0.000 1.144 404 Y CA 1.940 59.861 58.100 -0.297 0.000 1.228 404 Y CB -0.175 38.232 38.460 -0.090 0.000 0.985 404 Y HN 0.387 nan 8.280 nan 0.000 0.542 405 T N -1.880 112.742 114.554 0.113 0.000 3.081 405 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 405 T C 0.757 175.510 174.700 0.087 0.000 1.113 405 T CA -0.121 62.049 62.100 0.116 0.000 1.082 405 T CB -0.058 68.865 68.868 0.092 0.000 0.939 405 T HN 0.055 nan 8.240 nan 0.000 0.506 406 R N 1.164 121.712 120.500 0.081 0.000 2.720 406 R HA 0.407 4.747 4.340 -0.000 0.000 0.272 406 R C -0.460 175.960 176.300 0.200 0.000 0.991 406 R CA -0.588 55.564 56.100 0.087 0.000 1.010 406 R CB 0.564 30.884 30.300 0.033 0.000 1.141 406 R HN 0.127 nan 8.270 nan 0.000 0.494 407 D N 0.620 121.111 120.400 0.151 0.000 2.870 407 D HA -0.172 4.468 4.640 -0.000 0.000 0.228 407 D C -0.494 175.913 176.300 0.179 0.000 1.147 407 D CA 0.956 55.071 54.000 0.191 0.000 0.757 407 D CB -1.015 39.949 40.800 0.272 0.000 1.091 407 D HN 0.427 nan 8.370 nan 0.000 0.429 408 I N 0.794 121.376 120.570 0.020 0.000 2.352 408 I HA 0.036 4.205 4.170 -0.000 0.000 0.290 408 I C 1.616 177.675 176.117 -0.098 0.000 1.036 408 I CA -0.109 61.076 61.300 -0.191 0.000 1.336 408 I CB 1.469 39.327 38.000 -0.237 0.000 1.407 408 I HN -0.175 nan 8.210 nan 0.000 0.497 409 S N 3.273 118.911 115.700 -0.104 0.000 2.370 409 S HA 0.089 4.559 4.470 -0.000 0.000 0.214 409 S C 0.563 175.156 174.600 -0.011 0.000 1.033 409 S CA 0.492 58.671 58.200 -0.036 0.000 0.941 409 S CB 0.228 63.414 63.200 -0.023 0.000 0.886 409 S HN 0.838 nan 8.310 nan 0.000 0.521 410 S N 0.128 115.836 115.700 0.012 0.000 2.688 410 S HA 0.750 5.219 4.470 -0.000 0.000 0.275 410 S C -1.006 173.673 174.600 0.132 0.000 1.175 410 S CA -0.412 57.830 58.200 0.070 0.000 0.818 410 S CB 1.776 65.031 63.200 0.091 0.000 1.157 410 S HN 0.573 nan 8.310 nan 0.000 0.482 411 S N 0.015 115.812 115.700 0.162 0.000 2.588 411 S HA 0.853 5.323 4.470 -0.000 0.000 0.269 411 S C -1.651 173.049 174.600 0.168 0.000 1.157 411 S CA -0.842 57.504 58.200 0.243 0.000 0.824 411 S CB 1.435 64.764 63.200 0.215 0.000 1.126 411 S HN 1.607 nan 8.310 nan 0.000 0.464 412 F N 1.485 121.441 119.950 0.009 0.000 2.622 412 F HA 0.627 5.154 4.527 -0.000 0.000 0.318 412 F C -0.774 175.030 175.800 0.006 0.000 1.135 412 F CA 0.118 57.994 58.000 -0.207 0.000 1.015 412 F CB 1.880 40.658 39.000 -0.370 0.000 1.275 412 F HN 1.087 nan 8.300 nan 0.000 0.457 413 S N 3.572 118.952 115.700 -0.533 0.000 2.566 413 S HA 1.005 5.475 4.470 -0.000 0.000 0.298 413 S C -0.677 173.674 174.600 -0.415 0.000 1.083 413 S CA -0.386 57.662 58.200 -0.253 0.000 0.978 413 S CB 1.975 65.200 63.200 0.042 0.000 1.073 413 S HN 1.204 nan 8.310 nan 0.000 0.491 414 G N -0.187 108.512 108.800 -0.169 0.000 2.620 414 G HA2 0.597 4.557 3.960 -0.000 0.000 0.301 414 G HA3 0.597 4.557 3.960 -0.000 0.000 0.301 414 G C -1.447 173.370 174.900 -0.139 0.000 1.347 414 G CA -0.702 44.285 45.100 -0.189 0.000 0.971 414 G HN 0.857 nan 8.290 nan 0.000 0.488 415 S N 0.572 116.163 115.700 -0.182 0.000 2.774 415 S HA 0.297 4.767 4.470 -0.000 0.000 0.297 415 S C 0.364 174.869 174.600 -0.158 0.000 1.143 415 S CA -0.710 57.443 58.200 -0.077 0.000 1.090 415 S CB 0.312 63.534 63.200 0.037 0.000 1.019 415 S HN 0.575 nan 8.310 nan 0.000 0.482 416 W N 3.482 124.830 121.300 0.080 0.000 2.342 416 W HA -0.025 4.635 4.660 -0.000 0.000 0.297 416 W C 2.485 178.998 176.519 -0.010 0.000 1.213 416 W CA 0.734 58.102 57.345 0.039 0.000 1.251 416 W CB -0.044 29.412 29.460 -0.008 0.000 1.136 416 W HN 0.585 nan 8.180 nan 0.000 0.526 417 R N 0.356 120.933 120.500 0.128 0.000 2.148 417 R HA -0.067 4.272 4.340 -0.000 0.000 0.227 417 R C 1.583 177.895 176.300 0.021 0.000 1.103 417 R CA 0.817 56.945 56.100 0.048 0.000 0.983 417 R CB -0.046 30.253 30.300 -0.002 0.000 0.874 417 R HN 0.011 nan 8.270 nan 0.000 0.451 418 R N -0.552 119.947 120.500 -0.001 0.000 2.359 418 R HA 0.084 4.424 4.340 -0.000 0.000 0.231 418 R C -0.048 176.215 176.300 -0.061 0.000 0.913 418 R CA 0.196 56.278 56.100 -0.030 0.000 1.075 418 R CB 0.768 31.050 30.300 -0.030 0.000 1.087 418 R HN -0.071 nan 8.270 nan 0.000 0.515 419 T N 2.239 116.761 114.554 -0.052 0.000 2.840 419 T HA 0.106 4.456 4.350 -0.000 0.000 0.287 419 T C -0.818 173.833 174.700 -0.082 0.000 0.991 419 T CA -0.736 61.301 62.100 -0.105 0.000 0.964 419 T CB 0.596 69.344 68.868 -0.199 0.000 0.954 419 T HN 0.236 nan 8.240 nan 0.000 0.438 420 K N 5.583 125.876 120.400 -0.179 0.000 5.128 420 K HA -0.270 4.050 4.320 -0.000 0.000 0.371 420 K C -0.744 175.748 176.600 -0.180 0.000 0.786 420 K CA 1.161 57.264 56.287 -0.307 0.000 0.982 420 K CB -1.986 30.388 32.500 -0.210 0.000 1.986 420 K HN 0.980 nan 8.250 nan 0.000 0.340 421 Y N -0.930 119.358 120.300 -0.020 0.000 4.907 421 Y HA -0.346 4.204 4.550 -0.000 0.000 0.246 421 Y C 1.458 177.359 175.900 0.003 0.000 0.968 421 Y CA 1.328 59.413 58.100 -0.026 0.000 1.961 421 Y CB -2.082 36.353 38.460 -0.040 0.000 1.487 421 Y HN 0.683 nan 8.280 nan 0.000 0.575 422 S N -1.510 114.287 115.700 0.161 0.000 3.142 422 S HA 0.105 4.575 4.470 -0.000 0.000 0.223 422 S C 0.748 175.479 174.600 0.220 0.000 0.939 422 S CA 0.145 58.468 58.200 0.206 0.000 0.826 422 S CB 0.449 63.889 63.200 0.401 0.000 0.823 422 S HN 0.412 nan 8.310 nan 0.000 0.612 423 E N 1.098 121.417 120.200 0.198 0.000 2.440 423 E HA -0.160 4.190 4.350 -0.000 0.000 0.246 423 E C -0.490 176.204 176.600 0.157 0.000 1.165 423 E CA 0.633 57.142 56.400 0.181 0.000 0.726 423 E CB -1.367 28.450 29.700 0.194 0.000 1.271 423 E HN 0.271 nan 8.360 nan 0.000 0.397 424 S N -2.745 113.034 115.700 0.132 0.000 2.715 424 S HA 0.493 4.963 4.470 -0.000 0.000 0.290 424 S C 0.100 174.683 174.600 -0.030 0.000 1.008 424 S CA -0.029 58.143 58.200 -0.046 0.000 0.850 424 S CB 1.184 64.281 63.200 -0.171 0.000 1.059 424 S HN 0.341 nan 8.310 nan 0.000 0.455 425 A N 1.947 124.594 122.820 -0.290 0.000 1.935 425 A HA 0.549 4.869 4.320 -0.000 0.000 0.214 425 A C 0.273 177.676 177.584 -0.302 0.000 1.178 425 A CA 1.432 53.160 52.037 -0.515 0.000 0.640 425 A CB -0.389 17.950 19.000 -1.103 0.000 0.825 425 A HN 1.646 nan 8.150 nan 0.000 0.447 426 W N -4.549 116.718 121.300 -0.055 0.000 3.079 426 W HA 0.627 5.287 4.660 -0.000 0.000 0.329 426 W C -0.616 175.865 176.519 -0.063 0.000 1.181 426 W CA -1.189 56.128 57.345 -0.048 0.000 1.160 426 W CB 0.224 29.662 29.460 -0.036 0.000 1.423 426 W HN 0.224 nan 8.180 nan 0.000 0.566 427 A N 1.827 124.784 122.820 0.229 0.000 2.354 427 A HA 0.493 4.813 4.320 -0.000 0.000 0.269 427 A C -0.510 177.117 177.584 0.071 0.000 1.109 427 A CA -0.523 51.499 52.037 -0.025 0.000 0.800 427 A CB 0.340 19.212 19.000 -0.213 0.000 1.045 427 A HN 0.736 nan 8.150 nan 0.000 0.489 428 N N 2.214 120.876 118.700 -0.064 0.000 2.696 428 N HA 0.247 4.986 4.740 -0.000 0.000 0.246 428 N C -1.334 174.171 175.510 -0.008 0.000 1.057 428 N CA -0.523 52.560 53.050 0.055 0.000 0.867 428 N CB 0.427 38.972 38.487 0.095 0.000 1.141 428 N HN 0.672 nan 8.380 nan 0.000 0.517 429 W N 2.764 124.140 121.300 0.126 0.000 2.264 429 W HA 0.204 4.864 4.660 -0.000 0.000 0.331 429 W C 0.951 177.514 176.519 0.072 0.000 1.364 429 W CA -0.363 57.045 57.345 0.106 0.000 1.253 429 W CB 0.392 29.920 29.460 0.113 0.000 1.215 429 W HN 0.393 nan 8.180 nan 0.000 0.561 430 A N 4.331 127.319 122.820 0.280 0.000 2.548 430 A HA 0.468 4.788 4.320 -0.000 0.000 0.247 430 A C 0.912 178.606 177.584 0.184 0.000 1.067 430 A CA 0.789 52.938 52.037 0.186 0.000 0.757 430 A CB -0.805 18.285 19.000 0.150 0.000 0.996 430 A HN 1.543 nan 8.150 nan 0.000 0.504 441 T N 1.093 115.470 114.554 -0.295 0.000 2.860 441 T HA 0.523 4.873 4.350 -0.000 0.000 0.299 441 T C -1.314 173.342 174.700 -0.074 0.000 1.045 441 T CA -0.800 61.221 62.100 -0.132 0.000 1.071 441 T CB 0.563 69.386 68.868 -0.076 0.000 0.985 441 T HN 0.275 nan 8.240 nan 0.000 0.537 442 P HA -0.053 nan 4.420 nan 0.000 0.218 442 P C 1.103 178.413 177.300 0.017 0.000 1.148 442 P CA 1.078 64.182 63.100 0.007 0.000 0.822 442 P CB 0.086 31.800 31.700 0.024 0.000 0.784 443 E N -1.368 118.855 120.200 0.038 0.000 2.072 443 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 443 E C 2.097 178.678 176.600 -0.032 0.000 0.982 443 E CA 0.847 57.303 56.400 0.094 0.000 0.803 443 E CB -1.136 28.727 29.700 0.272 0.000 0.755 443 E HN 0.325 nan 8.360 nan 0.000 0.453 444 Y N 1.506 121.470 120.300 -0.560 0.000 2.128 444 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 444 Y C 2.358 178.040 175.900 -0.364 0.000 1.154 444 Y CA 2.056 59.609 58.100 -0.913 0.000 1.149 444 Y CB 0.089 37.821 38.460 -1.214 0.000 0.976 444 Y HN 0.046 nan 8.280 nan 0.000 0.505 445 E N 0.124 120.346 120.200 0.036 0.000 2.110 445 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 445 E C 2.120 178.706 176.600 -0.024 0.000 0.988 445 E CA 1.384 57.801 56.400 0.029 0.000 0.804 445 E CB -0.133 29.595 29.700 0.046 0.000 0.745 445 E HN 0.265 nan 8.360 nan 0.000 0.458 446 K N 0.707 121.102 120.400 -0.008 0.000 2.057 446 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 446 K C 1.830 178.448 176.600 0.030 0.000 1.049 446 K CA 1.298 57.596 56.287 0.017 0.000 0.931 446 K CB -0.284 32.240 32.500 0.040 0.000 0.714 446 K HN 0.198 nan 8.250 nan 0.000 0.440 447 L N 0.572 121.802 121.223 0.012 0.000 2.552 447 L HA 0.046 4.386 4.340 -0.000 0.000 0.227 447 L C 1.679 178.597 176.870 0.080 0.000 1.146 447 L CA 0.159 55.044 54.840 0.075 0.000 0.858 447 L CB -0.181 41.897 42.059 0.033 0.000 0.969 447 L HN 0.131 nan 8.230 nan 0.000 0.451 448 L N -0.891 120.308 121.223 -0.040 0.000 2.465 448 L HA -0.029 4.311 4.340 -0.000 0.000 0.224 448 L C 0.764 177.653 176.870 0.032 0.000 1.145 448 L CA 0.438 55.263 54.840 -0.024 0.000 0.834 448 L CB -0.262 41.752 42.059 -0.074 0.000 0.944 448 L HN 0.199 nan 8.230 nan 0.000 0.451 449 E N 1.089 121.299 120.200 0.017 0.000 2.266 449 E HA 0.279 4.629 4.350 -0.000 0.000 0.277 449 E C -2.072 174.465 176.600 -0.105 0.000 1.018 449 E CA -2.352 54.025 56.400 -0.038 0.000 0.840 449 E CB 0.521 30.202 29.700 -0.032 0.000 1.082 449 E HN -0.064 nan 8.360 nan 0.000 0.395 450 P HA 0.025 nan 4.420 nan 0.000 0.270 450 P C -0.225 176.892 177.300 -0.305 0.000 1.223 450 P CA -0.199 62.550 63.100 -0.585 0.000 0.785 450 P CB 0.569 31.715 31.700 -0.922 0.000 0.923 451 V N 2.332 122.063 119.914 -0.305 0.000 2.220 451 V HA 0.095 4.215 4.120 -0.000 0.000 0.265 451 V C 0.882 176.891 176.094 -0.142 0.000 1.078 451 V CA 0.228 62.438 62.300 -0.149 0.000 0.872 451 V CB -0.478 31.298 31.823 -0.079 0.000 1.121 451 V HN 0.780 nan 8.190 nan 0.000 0.460 452 D N 3.634 123.965 120.400 -0.115 0.000 4.471 452 D HA -0.318 4.322 4.640 -0.000 0.000 0.191 452 D C 1.302 177.562 176.300 -0.066 0.000 0.625 452 D CA 2.526 56.483 54.000 -0.071 0.000 1.190 452 D CB -0.314 40.464 40.800 -0.037 0.000 0.677 452 D HN 0.541 nan 8.370 nan 0.000 0.467 453 K N -0.171 120.221 120.400 -0.013 0.000 2.358 453 K HA 0.405 4.725 4.320 -0.000 0.000 0.200 453 K C -0.063 176.629 176.600 0.154 0.000 1.030 453 K CA -0.107 56.270 56.287 0.151 0.000 1.097 453 K CB 0.780 33.302 32.500 0.037 0.000 0.862 453 K HN 0.299 nan 8.250 nan 0.000 0.534 454 I N 1.656 122.177 120.570 -0.082 0.000 2.315 454 I HA 0.194 4.363 4.170 -0.000 0.000 0.291 454 I C -0.676 175.207 176.117 -0.389 0.000 1.006 454 I CA -0.757 60.444 61.300 -0.164 0.000 1.265 454 I CB 0.576 38.421 38.000 -0.258 0.000 1.387 454 I HN -0.041 nan 8.210 nan 0.000 0.475 455 Y N 5.414 125.545 120.300 -0.282 0.000 2.409 455 Y HA 0.494 5.044 4.550 -0.000 0.000 0.339 455 Y C -0.357 175.330 175.900 -0.354 0.000 1.033 455 Y CA -0.777 57.169 58.100 -0.256 0.000 1.094 455 Y CB 1.586 39.984 38.460 -0.102 0.000 1.210 455 Y HN 0.305 nan 8.280 nan 0.000 0.456 456 F N 1.869 121.908 119.950 0.149 0.000 2.420 456 F HA 0.724 5.251 4.527 -0.000 0.000 0.342 456 F C 0.235 176.074 175.800 0.064 0.000 1.113 456 F CA -0.650 57.416 58.000 0.110 0.000 1.059 456 F CB 1.295 40.362 39.000 0.112 0.000 1.128 456 F HN 0.478 nan 8.300 nan 0.000 0.475 457 A N 1.693 124.651 122.820 0.231 0.000 2.515 457 A HA 0.990 5.310 4.320 -0.000 0.000 0.296 457 A C -0.341 177.299 177.584 0.093 0.000 1.094 457 A CA -0.213 51.870 52.037 0.076 0.000 0.718 457 A CB 1.787 20.798 19.000 0.018 0.000 1.307 457 A HN 1.322 nan 8.150 nan 0.000 0.408 458 G N 0.035 108.824 108.800 -0.017 0.000 2.352 458 G HA2 0.423 4.383 3.960 -0.000 0.000 0.302 458 G HA3 0.423 4.383 3.960 -0.000 0.000 0.302 458 G C -0.248 174.663 174.900 0.019 0.000 1.370 458 G CA 0.385 45.535 45.100 0.082 0.000 0.918 458 G HN 1.099 nan 8.290 nan 0.000 0.610 459 D N -0.720 119.776 120.400 0.160 0.000 2.310 459 D HA -0.144 4.496 4.640 -0.000 0.000 0.212 459 D C 1.577 178.024 176.300 0.245 0.000 0.965 459 D CA 1.843 55.943 54.000 0.166 0.000 0.879 459 D CB -0.505 40.396 40.800 0.169 0.000 0.921 459 D HN 0.693 nan 8.370 nan 0.000 0.510 460 H N 0.140 119.360 119.070 0.251 0.000 2.547 460 H HA 0.119 4.675 4.556 -0.000 0.000 0.272 460 H C 0.870 176.563 175.328 0.608 0.000 0.989 460 H CA 0.075 56.379 56.048 0.427 0.000 1.214 460 H CB -0.401 29.527 29.762 0.277 0.000 1.389 460 H HN 0.186 nan 8.280 nan 0.000 0.577 461 L N 2.288 123.397 121.223 -0.189 0.000 3.047 461 L HA 0.262 4.602 4.340 -0.000 0.000 0.242 461 L C -0.115 176.712 176.870 -0.071 0.000 1.315 461 L CA -0.405 54.249 54.840 -0.310 0.000 1.042 461 L CB 0.390 42.162 42.059 -0.480 0.000 1.420 461 L HN 0.259 nan 8.230 nan 0.000 0.517 462 S N -2.735 113.121 115.700 0.260 0.000 2.671 462 S HA 0.388 4.858 4.470 -0.000 0.000 0.277 462 S C -0.152 174.628 174.600 0.300 0.000 1.165 462 S CA -0.883 57.464 58.200 0.246 0.000 0.822 462 S CB 1.475 64.761 63.200 0.143 0.000 1.150 462 S HN 0.217 nan 8.310 nan 0.000 0.479 463 N N 0.259 119.076 118.700 0.195 0.000 2.279 463 N HA 0.515 5.255 4.740 -0.000 0.000 0.226 463 N C -0.160 175.445 175.510 0.159 0.000 1.126 463 N CA 0.261 53.390 53.050 0.132 0.000 0.846 463 N CB 1.079 39.612 38.487 0.076 0.000 1.050 463 N HN 0.776 nan 8.380 nan 0.000 0.502 464 A N 0.570 123.520 122.820 0.216 0.000 3.234 464 A HA 0.313 4.633 4.320 -0.000 0.000 0.247 464 A C -0.153 177.650 177.584 0.365 0.000 0.938 464 A CA -0.547 51.664 52.037 0.289 0.000 1.039 464 A CB -0.297 18.845 19.000 0.237 0.000 1.197 464 A HN 0.148 nan 8.150 nan 0.000 0.498 465 I N 0.753 121.500 120.570 0.295 0.000 2.775 465 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 465 I C 1.418 177.583 176.117 0.081 0.000 1.203 465 I CA 1.232 62.674 61.300 0.237 0.000 1.433 465 I CB 0.686 38.846 38.000 0.267 0.000 1.354 465 I HN 0.912 nan 8.210 nan 0.000 0.579 466 A N 4.346 127.163 122.820 -0.005 0.000 3.061 466 A HA -0.178 4.142 4.320 -0.000 0.000 0.244 466 A C -0.649 176.585 177.584 -0.582 0.000 1.357 466 A CA 0.564 52.408 52.037 -0.321 0.000 0.889 466 A CB -2.104 16.351 19.000 -0.908 0.000 1.092 466 A HN 0.785 nan 8.150 nan 0.000 0.694 467 W N -0.949 120.381 121.300 0.050 0.000 2.957 467 W HA 0.588 5.248 4.660 -0.000 0.000 0.336 467 W C 1.007 177.577 176.519 0.086 0.000 1.087 467 W CA -0.379 57.026 57.345 0.099 0.000 1.235 467 W CB 0.882 30.430 29.460 0.148 0.000 1.399 467 W HN 0.277 nan 8.180 nan 0.000 0.480 468 Q N 0.776 120.765 119.800 0.315 0.000 2.173 468 Q HA -0.347 3.993 4.340 -0.000 0.000 0.208 468 Q C 2.032 178.151 176.000 0.197 0.000 0.989 468 Q CA 2.057 58.002 55.803 0.236 0.000 0.872 468 Q CB -0.293 28.625 28.738 0.300 0.000 0.909 468 Q HN 0.562 nan 8.270 nan 0.000 0.420 469 H N -0.264 118.878 119.070 0.120 0.000 2.390 469 H HA -0.141 4.415 4.556 -0.000 0.000 0.298 469 H C 1.898 177.211 175.328 -0.025 0.000 1.106 469 H CA 1.709 57.709 56.048 -0.079 0.000 1.297 469 H CB -0.056 29.293 29.762 -0.687 0.000 1.375 469 H HN 0.367 nan 8.280 nan 0.000 0.509 470 G N -0.306 108.522 108.800 0.047 0.000 2.403 470 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 470 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 470 G C 1.954 176.853 174.900 -0.002 0.000 1.154 470 G CA 0.810 45.938 45.100 0.046 0.000 0.784 470 G HN 0.546 nan 8.290 nan 0.000 0.538 471 A N 0.532 123.362 122.820 0.017 0.000 1.897 471 A HA 0.186 4.506 4.320 -0.000 0.000 0.215 471 A C 2.399 179.939 177.584 -0.073 0.000 1.181 471 A CA 1.029 53.056 52.037 -0.018 0.000 0.620 471 A CB -0.332 18.657 19.000 -0.018 0.000 0.821 471 A HN 0.333 nan 8.150 nan 0.000 0.443 472 L N -0.104 121.068 121.223 -0.085 0.000 2.109 472 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 472 L C 2.958 179.767 176.870 -0.101 0.000 1.086 472 L CA 1.720 56.494 54.840 -0.110 0.000 0.760 472 L CB -0.889 41.126 42.059 -0.074 0.000 0.910 472 L HN 0.623 nan 8.230 nan 0.000 0.437 473 T N -4.346 110.101 114.554 -0.179 0.000 2.904 473 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 473 T C 2.077 176.709 174.700 -0.114 0.000 1.059 473 T CA 1.226 63.225 62.100 -0.168 0.000 1.137 473 T CB -0.246 68.454 68.868 -0.281 0.000 0.879 473 T HN 0.194 nan 8.240 nan 0.000 0.467 474 S N 1.538 117.177 115.700 -0.101 0.000 2.368 474 S HA -0.003 4.466 4.470 -0.000 0.000 0.225 474 S C 2.462 177.001 174.600 -0.103 0.000 1.030 474 S CA 1.310 59.456 58.200 -0.089 0.000 0.999 474 S CB -0.954 62.200 63.200 -0.076 0.000 0.844 474 S HN 0.736 nan 8.310 nan 0.000 0.459 475 A N 1.483 124.240 122.820 -0.104 0.000 1.902 475 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 475 A C 2.238 179.743 177.584 -0.130 0.000 1.181 475 A CA 1.434 53.400 52.037 -0.119 0.000 0.623 475 A CB -0.585 18.335 19.000 -0.133 0.000 0.818 475 A HN 0.621 nan 8.150 nan 0.000 0.443 476 R N -0.368 120.073 120.500 -0.098 0.000 2.092 476 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 476 R C 1.574 177.767 176.300 -0.178 0.000 1.119 476 R CA 1.426 57.473 56.100 -0.088 0.000 0.970 476 R CB -0.331 29.961 30.300 -0.013 0.000 0.864 476 R HN 0.456 nan 8.270 nan 0.000 0.440 477 D N 0.022 120.291 120.400 -0.219 0.000 2.117 477 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 477 D C 1.937 177.852 176.300 -0.641 0.000 0.982 477 D CA 0.987 54.744 54.000 -0.405 0.000 0.828 477 D CB -0.182 40.439 40.800 -0.298 0.000 0.967 477 D HN -0.015 nan 8.370 nan 0.000 0.464 478 V N 0.590 120.291 119.914 -0.354 0.000 2.343 478 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 478 V C 2.602 178.459 176.094 -0.396 0.000 1.051 478 V CA 0.964 63.094 62.300 -0.284 0.000 1.036 478 V CB -0.338 31.394 31.823 -0.152 0.000 0.654 478 V HN 0.060 nan 8.190 nan 0.000 0.451 479 V N -0.245 119.466 119.914 -0.338 0.000 2.358 479 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 479 V C 2.578 178.500 176.094 -0.286 0.000 1.047 479 V CA 2.602 64.698 62.300 -0.341 0.000 1.035 479 V CB -0.938 30.729 31.823 -0.261 0.000 0.658 479 V HN 0.604 nan 8.190 nan 0.000 0.452 480 T N -1.072 113.332 114.554 -0.250 0.000 2.720 480 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 480 T C 1.680 176.360 174.700 -0.034 0.000 1.037 480 T CA 2.115 64.129 62.100 -0.144 0.000 1.144 480 T CB -0.394 68.379 68.868 -0.158 0.000 0.864 480 T HN 0.674 nan 8.240 nan 0.000 0.444 481 H N 0.098 119.093 119.070 -0.124 0.000 2.357 481 H HA 0.097 4.652 4.556 -0.000 0.000 0.301 481 H C 2.277 177.480 175.328 -0.208 0.000 1.082 481 H CA 0.931 56.919 56.048 -0.101 0.000 1.342 481 H CB -0.123 29.630 29.762 -0.016 0.000 1.389 481 H HN 0.248 nan 8.280 nan 0.000 0.511 482 I N 0.054 120.419 120.570 -0.342 0.000 2.286 482 I HA -0.299 3.870 4.170 -0.000 0.000 0.248 482 I C 2.463 178.405 176.117 -0.290 0.000 1.115 482 I CA 1.415 62.372 61.300 -0.572 0.000 1.392 482 I CB -0.186 37.314 38.000 -0.834 0.000 1.065 482 I HN 0.330 nan 8.210 nan 0.000 0.418 483 H N 1.138 120.067 119.070 -0.234 0.000 2.357 483 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 483 H C 2.083 177.383 175.328 -0.047 0.000 1.082 483 H CA 1.765 57.773 56.048 -0.067 0.000 1.342 483 H CB 0.092 29.833 29.762 -0.036 0.000 1.389 483 H HN 0.298 nan 8.280 nan 0.000 0.511 484 E N -0.010 120.196 120.200 0.009 0.000 2.110 484 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 484 E C 2.333 178.898 176.600 -0.058 0.000 0.988 484 E CA 0.864 57.251 56.400 -0.022 0.000 0.804 484 E CB -0.027 29.699 29.700 0.044 0.000 0.745 484 E HN 0.419 nan 8.360 nan 0.000 0.458 485 R N 0.993 121.460 120.500 -0.056 0.000 2.066 485 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 485 R C 2.257 178.537 176.300 -0.033 0.000 1.131 485 R CA 1.083 57.166 56.100 -0.028 0.000 0.955 485 R CB -0.134 30.155 30.300 -0.017 0.000 0.851 485 R HN 0.001 nan 8.270 nan 0.000 0.432 486 V N 1.259 121.112 119.914 -0.103 0.000 2.407 486 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 486 V C 2.426 178.412 176.094 -0.181 0.000 1.055 486 V CA 1.868 64.084 62.300 -0.141 0.000 1.049 486 V CB -0.665 30.979 31.823 -0.297 0.000 0.662 486 V HN 0.560 nan 8.190 nan 0.000 0.455 487 A N -1.026 121.662 122.820 -0.220 0.000 2.067 487 A HA -0.115 4.204 4.320 -0.000 0.000 0.219 487 A C 1.450 178.982 177.584 -0.087 0.000 1.158 487 A CA 0.903 52.830 52.037 -0.184 0.000 0.661 487 A CB -0.214 18.666 19.000 -0.200 0.000 0.801 487 A HN 0.659 nan 8.150 nan 0.000 0.452 488 Q N 0.000 119.767 119.800 -0.055 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 28.735 28.738 -0.006 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481