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 2wap_1_A DATA FIRST_RESID 33 DATA SEQUENCE GRQKARGAAT RARQKQRASL ETMDKAVQRF RLQNPDLDSE ALLTLPLLQL DATA SEQUENCE VQKLQSGELS PEAVFFTYLG KAWEVNKGTN CVTSYLTDCE TQLSQAPRQG DATA SEQUENCE LLYGVPVSLK ECFSYKGHDS TLGLSLNEGM PSESDCVVVQ VLKLQGAVPF DATA SEQUENCE VHTNVPQSMF SYDCSNPLFG QTMNPWKSSK SPGGSSGGEG ALIGSGGSPL DATA SEQUENCE GLGTDIGGSI RFPSAFCGIC GLKPTGNRLS KSGLKGCVYG QTAVQLSLGP DATA SEQUENCE MARDVESLAL CLKALLCEHL FTLDPTVPPL PFREEVYRSS RPLRVGYYET DATA SEQUENCE DNYTMPSPAM RRALIETKQR LEAAGHTLIP FLPNNIPYAL EVLSTGGLFS DATA SEQUENCE DGGRSFLQNF KGDFVDPCLG DLILILRLPS WFKRLLSLLL KPLFPRLAAF DATA SEQUENCE LNNMRPRSAE KLWKLQHEIE MYRQSVIAQW KAMNLDVLLT PMLGPALDLN DATA SEQUENCE TPGRATGAVS YTMLYNCLDF PAGVVPVTTV TAEDDAQMEL YKGYFGDIWD DATA SEQUENCE IILKKAMKNS VGLPVAVQCV ALPWQEELCL RFMREVEQLM T 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 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.914 3.960 -0.077 0.000 0.244 33 G C 0.000 174.811 174.900 -0.149 0.000 0.946 33 G CA 0.000 45.047 45.100 -0.089 0.000 0.502 34 R N 0.583 120.980 120.500 -0.172 0.000 2.565 34 R HA 0.194 4.488 4.340 -0.077 0.000 0.347 34 R C 1.846 178.062 176.300 -0.140 0.000 1.010 34 R CA -0.285 55.635 56.100 -0.301 0.000 1.126 34 R CB 0.660 30.619 30.300 -0.568 0.000 1.331 34 R HN 0.450 nan 8.270 nan 0.000 0.552 35 Q N 0.725 120.484 119.800 -0.068 0.000 2.167 35 Q HA -0.064 4.230 4.340 -0.077 0.000 0.202 35 Q C 1.388 177.378 176.000 -0.017 0.000 0.970 35 Q CA 1.543 57.336 55.803 -0.018 0.000 0.855 35 Q CB 0.221 28.952 28.738 -0.012 0.000 0.911 35 Q HN -0.049 nan 8.270 nan 0.000 0.438 36 K N -0.393 119.981 120.400 -0.043 0.000 2.026 36 K HA -0.040 4.234 4.320 -0.077 0.000 0.208 36 K C 1.812 178.396 176.600 -0.027 0.000 1.048 36 K CA 1.356 57.621 56.287 -0.036 0.000 0.929 36 K CB -0.522 31.948 32.500 -0.049 0.000 0.713 36 K HN 0.240 nan 8.250 nan 0.000 0.439 37 A N 0.774 123.563 122.820 -0.052 0.000 1.908 37 A HA -0.206 4.068 4.320 -0.077 0.000 0.218 37 A C 2.076 179.740 177.584 0.134 0.000 1.181 37 A CA 1.703 53.741 52.037 0.003 0.000 0.627 37 A CB -0.445 18.475 19.000 -0.134 0.000 0.818 37 A HN 0.254 nan 8.150 nan 0.000 0.445 38 R N -1.082 119.517 120.500 0.164 0.000 2.075 38 R HA -0.089 4.205 4.340 -0.077 0.000 0.232 38 R C 2.474 178.809 176.300 0.058 0.000 1.126 38 R CA 1.088 57.285 56.100 0.161 0.000 0.963 38 R CB -0.686 29.707 30.300 0.156 0.000 0.858 38 R HN 0.541 nan 8.270 nan 0.000 0.435 39 G N 0.885 109.704 108.800 0.031 0.000 2.459 39 G HA2 -0.317 3.597 3.960 -0.077 0.000 0.217 39 G HA3 -0.317 3.597 3.960 -0.077 0.000 0.217 39 G C 1.556 176.451 174.900 -0.008 0.000 1.183 39 G CA 0.987 46.092 45.100 0.008 0.000 0.776 39 G HN 0.427 nan 8.290 nan 0.000 0.552 40 A N 1.074 123.886 122.820 -0.014 0.000 1.940 40 A HA 0.222 4.496 4.320 -0.077 0.000 0.219 40 A C 2.821 180.355 177.584 -0.083 0.000 1.176 40 A CA 2.401 54.413 52.037 -0.042 0.000 0.631 40 A CB -0.783 18.191 19.000 -0.043 0.000 0.814 40 A HN 0.867 nan 8.150 nan 0.000 0.446 41 A N -1.154 121.628 122.820 -0.063 0.000 1.902 41 A HA -0.072 4.202 4.320 -0.077 0.000 0.217 41 A C 2.315 179.837 177.584 -0.103 0.000 1.181 41 A CA 2.272 54.241 52.037 -0.114 0.000 0.623 41 A CB -1.234 17.730 19.000 -0.059 0.000 0.818 41 A HN 0.424 nan 8.150 nan 0.000 0.443 42 T N -0.595 113.930 114.554 -0.049 0.000 2.674 42 T HA -0.143 4.161 4.350 -0.077 0.000 0.265 42 T C 2.125 176.809 174.700 -0.028 0.000 1.039 42 T CA 1.624 63.706 62.100 -0.030 0.000 1.150 42 T CB -0.217 68.645 68.868 -0.009 0.000 0.864 42 T HN 0.480 nan 8.240 nan 0.000 0.427 43 R N 0.553 121.036 120.500 -0.028 0.000 2.081 43 R HA 0.001 4.295 4.340 -0.077 0.000 0.235 43 R C 2.767 179.063 176.300 -0.007 0.000 1.131 43 R CA 1.280 57.373 56.100 -0.011 0.000 0.960 43 R CB -0.444 29.851 30.300 -0.008 0.000 0.856 43 R HN 0.367 nan 8.270 nan 0.000 0.436 44 A N 0.999 123.776 122.820 -0.072 0.000 1.902 44 A HA -0.182 4.092 4.320 -0.077 0.000 0.217 44 A C 2.060 179.656 177.584 0.019 0.000 1.181 44 A CA 1.287 53.262 52.037 -0.102 0.000 0.623 44 A CB -0.365 18.302 19.000 -0.554 0.000 0.818 44 A HN 0.242 nan 8.150 nan 0.000 0.443 45 R N -0.994 119.478 120.500 -0.046 0.000 2.081 45 R HA -0.147 4.147 4.340 -0.077 0.000 0.235 45 R C 2.502 178.855 176.300 0.087 0.000 1.131 45 R CA 1.620 57.746 56.100 0.044 0.000 0.960 45 R CB -0.339 29.958 30.300 -0.005 0.000 0.856 45 R HN 0.673 nan 8.270 nan 0.000 0.436 46 Q N 0.702 120.538 119.800 0.059 0.000 2.061 46 Q HA -0.178 4.116 4.340 -0.077 0.000 0.204 46 Q C 1.945 178.004 176.000 0.097 0.000 0.984 46 Q CA 1.756 57.599 55.803 0.067 0.000 0.846 46 Q CB 0.091 28.857 28.738 0.047 0.000 0.902 46 Q HN 0.224 nan 8.270 nan 0.000 0.421 47 K N 0.028 120.497 120.400 0.116 0.000 2.057 47 K HA -0.225 4.049 4.320 -0.077 0.000 0.207 47 K C 2.151 178.860 176.600 0.181 0.000 1.049 47 K CA 1.425 57.797 56.287 0.141 0.000 0.931 47 K CB -0.105 32.483 32.500 0.147 0.000 0.714 47 K HN 0.264 nan 8.250 nan 0.000 0.440 48 Q N 1.048 120.991 119.800 0.238 0.000 2.079 48 Q HA -0.188 4.106 4.340 -0.077 0.000 0.200 48 Q C 2.196 178.292 176.000 0.159 0.000 0.974 48 Q CA 1.293 57.226 55.803 0.217 0.000 0.840 48 Q CB 0.051 28.973 28.738 0.307 0.000 0.898 48 Q HN 0.153 nan 8.270 nan 0.000 0.430 49 R N -0.162 120.423 120.500 0.142 0.000 2.083 49 R HA -0.154 4.140 4.340 -0.077 0.000 0.237 49 R C 2.163 178.540 176.300 0.128 0.000 1.137 49 R CA 1.577 57.749 56.100 0.120 0.000 0.951 49 R CB -0.384 29.973 30.300 0.095 0.000 0.851 49 R HN 0.342 nan 8.270 nan 0.000 0.434 50 A N -0.324 122.570 122.820 0.122 0.000 1.873 50 A HA -0.118 4.156 4.320 -0.077 0.000 0.215 50 A C 2.229 179.900 177.584 0.145 0.000 1.186 50 A CA 1.817 53.925 52.037 0.119 0.000 0.616 50 A CB -0.698 18.365 19.000 0.106 0.000 0.823 50 A HN 0.413 nan 8.150 nan 0.000 0.442 51 S N -0.393 115.409 115.700 0.171 0.000 2.353 51 S HA -0.160 4.264 4.470 -0.077 0.000 0.222 51 S C 1.837 176.536 174.600 0.165 0.000 1.035 51 S CA 1.696 60.028 58.200 0.220 0.000 1.025 51 S CB -0.422 62.922 63.200 0.241 0.000 0.902 51 S HN 0.376 nan 8.310 nan 0.000 0.440 52 L N 1.404 122.733 121.223 0.176 0.000 2.017 52 L HA -0.087 4.207 4.340 -0.077 0.000 0.208 52 L C 2.348 179.377 176.870 0.265 0.000 1.073 52 L CA 1.676 56.675 54.840 0.264 0.000 0.745 52 L CB -0.878 41.330 42.059 0.248 0.000 0.894 52 L HN 0.259 nan 8.230 nan 0.000 0.432 53 E N -1.166 119.144 120.200 0.183 0.000 2.049 53 E HA -0.245 4.059 4.350 -0.077 0.000 0.198 53 E C 2.047 178.652 176.600 0.007 0.000 1.007 53 E CA 2.200 58.657 56.400 0.095 0.000 0.809 53 E CB -0.160 29.593 29.700 0.088 0.000 0.749 53 E HN 0.456 nan 8.360 nan 0.000 0.450 54 T N 0.916 115.492 114.554 0.037 0.000 2.665 54 T HA -0.229 4.075 4.350 -0.077 0.000 0.268 54 T C 1.853 176.481 174.700 -0.119 0.000 1.035 54 T CA 1.915 64.029 62.100 0.024 0.000 1.151 54 T CB -0.228 68.734 68.868 0.157 0.000 0.862 54 T HN 0.225 nan 8.240 nan 0.000 0.438 55 M N 1.044 120.478 119.600 -0.276 0.000 2.175 55 M HA -0.056 4.378 4.480 -0.077 0.000 0.264 55 M C 2.195 178.285 176.300 -0.350 0.000 1.063 55 M CA 1.540 56.574 55.300 -0.443 0.000 1.119 55 M CB -0.655 31.700 32.600 -0.409 0.000 1.377 55 M HN 0.114 nan 8.290 nan 0.000 0.415 56 D N 1.076 121.200 120.400 -0.460 0.000 2.097 56 D HA -0.113 4.481 4.640 -0.077 0.000 0.197 56 D C 1.866 177.924 176.300 -0.403 0.000 0.984 56 D CA 1.449 55.002 54.000 -0.746 0.000 0.826 56 D CB 0.087 40.367 40.800 -0.867 0.000 0.973 56 D HN 0.234 nan 8.370 nan 0.000 0.460 57 K N -0.023 120.237 120.400 -0.234 0.000 2.063 57 K HA -0.088 4.186 4.320 -0.077 0.000 0.208 57 K C 2.178 178.705 176.600 -0.121 0.000 1.048 57 K CA 1.239 57.441 56.287 -0.142 0.000 0.928 57 K CB -0.195 32.264 32.500 -0.069 0.000 0.713 57 K HN 0.131 nan 8.250 nan 0.000 0.442 58 A N 0.878 123.646 122.820 -0.088 0.000 1.902 58 A HA -0.127 4.147 4.320 -0.077 0.000 0.217 58 A C 2.354 179.855 177.584 -0.138 0.000 1.181 58 A CA 1.476 53.481 52.037 -0.052 0.000 0.623 58 A CB -0.641 18.463 19.000 0.173 0.000 0.818 58 A HN 0.084 nan 8.150 nan 0.000 0.443 59 V N -0.513 119.343 119.914 -0.097 0.000 2.427 59 V HA -0.253 3.821 4.120 -0.077 0.000 0.248 59 V C 2.701 178.754 176.094 -0.068 0.000 1.051 59 V CA 2.248 64.513 62.300 -0.058 0.000 1.048 59 V CB -0.724 31.025 31.823 -0.123 0.000 0.666 59 V HN 0.571 nan 8.190 nan 0.000 0.456 60 Q N -0.019 119.696 119.800 -0.142 0.000 2.046 60 Q HA -0.146 4.148 4.340 -0.077 0.000 0.200 60 Q C 2.376 178.312 176.000 -0.105 0.000 0.975 60 Q CA 1.693 57.420 55.803 -0.126 0.000 0.836 60 Q CB -0.322 28.325 28.738 -0.151 0.000 0.896 60 Q HN 0.442 nan 8.270 nan 0.000 0.428 61 R N -1.047 119.382 120.500 -0.117 0.000 2.105 61 R HA -0.133 4.161 4.340 -0.077 0.000 0.239 61 R C 1.910 178.121 176.300 -0.147 0.000 1.135 61 R CA 1.468 57.493 56.100 -0.124 0.000 0.967 61 R CB -0.452 29.775 30.300 -0.122 0.000 0.861 61 R HN 0.284 nan 8.270 nan 0.000 0.442 62 F N 0.733 120.487 119.950 -0.326 0.000 2.098 62 F HA -0.076 4.405 4.527 -0.076 0.000 0.294 62 F C 2.067 177.764 175.800 -0.171 0.000 1.107 62 F CA 1.383 59.185 58.000 -0.329 0.000 1.234 62 F CB -0.086 38.624 39.000 -0.484 0.000 1.002 62 F HN -0.180 nan 8.300 nan 0.000 0.472 63 R N -0.166 120.305 120.500 -0.048 0.000 2.117 63 R HA -0.203 4.091 4.340 -0.077 0.000 0.243 63 R C 2.052 178.244 176.300 -0.181 0.000 1.143 63 R CA 1.563 57.604 56.100 -0.100 0.000 0.968 63 R CB -0.710 29.581 30.300 -0.016 0.000 0.863 63 R HN 0.284 nan 8.270 nan 0.000 0.444 64 L N 0.705 121.828 121.223 -0.166 0.000 2.012 64 L HA -0.202 4.092 4.340 -0.077 0.000 0.210 64 L C 2.102 178.854 176.870 -0.196 0.000 1.073 64 L CA 1.807 56.556 54.840 -0.151 0.000 0.748 64 L CB -0.527 41.459 42.059 -0.121 0.000 0.891 64 L HN 0.092 nan 8.230 nan 0.000 0.431 65 Q N -1.042 118.592 119.800 -0.277 0.000 2.435 65 Q HA 0.043 4.337 4.340 -0.077 0.000 0.207 65 Q C 0.293 176.074 176.000 -0.366 0.000 0.956 65 Q CA 0.602 56.229 55.803 -0.295 0.000 0.917 65 Q CB 0.151 28.714 28.738 -0.292 0.000 0.997 65 Q HN 0.407 nan 8.270 nan 0.000 0.497 66 N N 0.105 118.519 118.700 -0.477 0.000 2.723 66 N HA 0.124 4.819 4.740 -0.077 0.000 0.290 66 N C -2.299 173.075 175.510 -0.227 0.000 1.882 66 N CA -0.707 52.096 53.050 -0.411 0.000 0.851 66 N CB 1.265 39.325 38.487 -0.710 0.000 1.234 66 N HN 0.118 nan 8.380 nan 0.000 0.491 67 P HA -0.006 nan 4.420 nan 0.000 0.223 67 P C 0.318 177.580 177.300 -0.063 0.000 1.151 67 P CA 1.053 64.095 63.100 -0.097 0.000 0.787 67 P CB 0.526 32.176 31.700 -0.083 0.000 0.788 68 D N -0.765 119.598 120.400 -0.063 0.000 2.347 68 D HA 0.004 4.598 4.640 -0.077 0.000 0.213 68 D C 0.846 177.134 176.300 -0.019 0.000 0.985 68 D CA 0.095 54.073 54.000 -0.037 0.000 0.879 68 D CB -0.404 40.375 40.800 -0.035 0.000 0.919 68 D HN 0.056 nan 8.370 nan 0.000 0.526 69 L N 1.855 123.069 121.223 -0.015 0.000 2.559 69 L HA -0.014 4.280 4.340 -0.077 0.000 0.274 69 L C 0.066 176.949 176.870 0.022 0.000 1.205 69 L CA 0.612 55.467 54.840 0.026 0.000 0.907 69 L CB 0.189 42.299 42.059 0.085 0.000 1.153 69 L HN -0.059 nan 8.230 nan 0.000 0.490 70 D N 2.990 123.400 120.400 0.017 0.000 2.435 70 D HA 0.074 4.668 4.640 -0.077 0.000 0.230 70 D C 1.139 177.437 176.300 -0.002 0.000 1.215 70 D CA 0.092 54.094 54.000 0.004 0.000 0.947 70 D CB 0.791 41.592 40.800 0.001 0.000 1.048 70 D HN 0.565 nan 8.370 nan 0.000 0.512 71 S N 3.042 118.738 115.700 -0.008 0.000 2.356 71 S HA -0.160 4.264 4.470 -0.077 0.000 0.223 71 S C 1.648 176.204 174.600 -0.074 0.000 1.032 71 S CA 0.640 58.817 58.200 -0.039 0.000 1.005 71 S CB 0.017 63.196 63.200 -0.035 0.000 0.867 71 S HN 0.509 nan 8.310 nan 0.000 0.449 72 E N 1.819 121.987 120.200 -0.054 0.000 2.058 72 E HA -0.111 4.193 4.350 -0.077 0.000 0.194 72 E C 2.410 178.979 176.600 -0.053 0.000 0.997 72 E CA 1.319 57.684 56.400 -0.057 0.000 0.801 72 E CB -0.743 28.934 29.700 -0.037 0.000 0.746 72 E HN 0.508 nan 8.360 nan 0.000 0.450 73 A N 1.213 124.012 122.820 -0.034 0.000 1.908 73 A HA -0.174 4.100 4.320 -0.077 0.000 0.218 73 A C 2.214 179.783 177.584 -0.025 0.000 1.181 73 A CA 1.568 53.593 52.037 -0.021 0.000 0.627 73 A CB -0.540 18.455 19.000 -0.008 0.000 0.818 73 A HN 0.269 nan 8.150 nan 0.000 0.445 74 L N -0.233 120.964 121.223 -0.043 0.000 2.023 74 L HA -0.014 4.280 4.340 -0.077 0.000 0.205 74 L C 2.166 178.969 176.870 -0.112 0.000 1.073 74 L CA 1.724 56.532 54.840 -0.053 0.000 0.745 74 L CB -0.962 41.062 42.059 -0.058 0.000 0.900 74 L HN 0.354 nan 8.230 nan 0.000 0.435 75 L N -0.198 120.894 121.223 -0.220 0.000 2.187 75 L HA -0.177 4.117 4.340 -0.077 0.000 0.213 75 L C 2.200 179.009 176.870 -0.101 0.000 1.100 75 L CA 1.721 56.358 54.840 -0.338 0.000 0.765 75 L CB -1.037 40.826 42.059 -0.327 0.000 0.904 75 L HN 0.561 nan 8.230 nan 0.000 0.437 76 T N -3.638 110.888 114.554 -0.047 0.000 3.081 76 T HA 0.120 4.424 4.350 -0.077 0.000 0.250 76 T C 0.649 175.366 174.700 0.029 0.000 1.100 76 T CA -0.404 61.696 62.100 0.001 0.000 1.038 76 T CB -0.061 68.801 68.868 -0.009 0.000 0.962 76 T HN -0.127 nan 8.240 nan 0.000 0.516 77 L N 3.661 124.905 121.223 0.035 0.000 2.584 77 L HA 0.319 4.613 4.340 -0.077 0.000 0.272 77 L C -2.080 174.834 176.870 0.073 0.000 1.195 77 L CA -2.125 52.746 54.840 0.051 0.000 0.920 77 L CB 0.027 42.119 42.059 0.056 0.000 1.173 77 L HN 0.080 nan 8.230 nan 0.000 0.489 78 P HA -0.064 nan 4.420 nan 0.000 0.269 78 P C 1.057 178.390 177.300 0.055 0.000 1.217 78 P CA -0.370 62.765 63.100 0.057 0.000 0.783 78 P CB 0.554 32.283 31.700 0.047 0.000 0.898 79 L N 2.091 123.339 121.223 0.042 0.000 2.079 79 L HA -0.131 4.163 4.340 -0.077 0.000 0.210 79 L C 1.675 178.557 176.870 0.020 0.000 1.081 79 L CA 1.931 56.783 54.840 0.020 0.000 0.752 79 L CB -0.912 41.143 42.059 -0.008 0.000 0.896 79 L HN 0.381 nan 8.230 nan 0.000 0.433 80 L N 0.026 121.266 121.223 0.028 0.000 2.083 80 L HA -0.222 4.072 4.340 -0.077 0.000 0.209 80 L C 2.566 179.458 176.870 0.037 0.000 1.083 80 L CA 1.710 56.569 54.840 0.032 0.000 0.752 80 L CB -0.733 41.352 42.059 0.042 0.000 0.899 80 L HN 0.466 nan 8.230 nan 0.000 0.433 81 Q N -1.019 118.805 119.800 0.040 0.000 2.137 81 Q HA -0.155 4.139 4.340 -0.077 0.000 0.198 81 Q C 2.263 178.291 176.000 0.046 0.000 0.960 81 Q CA 0.612 56.440 55.803 0.042 0.000 0.847 81 Q CB 0.125 28.887 28.738 0.041 0.000 0.915 81 Q HN 0.457 nan 8.270 nan 0.000 0.448 82 L N 0.672 121.925 121.223 0.050 0.000 1.990 82 L HA -0.232 4.062 4.340 -0.077 0.000 0.213 82 L C 2.304 179.202 176.870 0.047 0.000 1.072 82 L CA 1.364 56.237 54.840 0.056 0.000 0.755 82 L CB -0.320 41.779 42.059 0.066 0.000 0.889 82 L HN 0.112 nan 8.230 nan 0.000 0.432 83 V N -0.503 119.433 119.914 0.037 0.000 2.343 83 V HA -0.346 3.728 4.120 -0.077 0.000 0.247 83 V C 2.414 178.547 176.094 0.065 0.000 1.051 83 V CA 1.908 64.234 62.300 0.045 0.000 1.036 83 V CB -0.526 31.315 31.823 0.030 0.000 0.654 83 V HN 0.516 nan 8.190 nan 0.000 0.451 84 Q N -0.269 119.563 119.800 0.053 0.000 2.061 84 Q HA -0.235 4.059 4.340 -0.077 0.000 0.204 84 Q C 2.346 178.382 176.000 0.060 0.000 0.984 84 Q CA 1.920 57.755 55.803 0.052 0.000 0.846 84 Q CB -0.128 28.636 28.738 0.043 0.000 0.902 84 Q HN 0.581 nan 8.270 nan 0.000 0.421 85 K N -0.435 120.002 120.400 0.061 0.000 2.155 85 K HA -0.089 4.185 4.320 -0.077 0.000 0.203 85 K C 1.853 178.505 176.600 0.087 0.000 1.052 85 K CA 0.429 56.755 56.287 0.064 0.000 0.948 85 K CB 0.045 32.579 32.500 0.056 0.000 0.728 85 K HN 0.128 nan 8.250 nan 0.000 0.448 86 L N 1.489 122.773 121.223 0.101 0.000 2.017 86 L HA -0.189 4.105 4.340 -0.077 0.000 0.208 86 L C 2.468 179.485 176.870 0.244 0.000 1.073 86 L CA 1.809 56.746 54.840 0.162 0.000 0.745 86 L CB -1.002 41.132 42.059 0.125 0.000 0.894 86 L HN 0.170 nan 8.230 nan 0.000 0.432 87 Q N -0.403 119.502 119.800 0.176 0.000 2.079 87 Q HA -0.143 4.151 4.340 -0.077 0.000 0.200 87 Q C 2.499 178.529 176.000 0.051 0.000 0.974 87 Q CA 2.011 57.877 55.803 0.105 0.000 0.840 87 Q CB -0.249 28.529 28.738 0.067 0.000 0.898 87 Q HN 0.587 nan 8.270 nan 0.000 0.430 88 S N -1.605 114.129 115.700 0.056 0.000 2.419 88 S HA -0.010 4.414 4.470 -0.077 0.000 0.233 88 S C 1.591 176.217 174.600 0.043 0.000 1.016 88 S CA 1.396 59.620 58.200 0.039 0.000 0.974 88 S CB -0.384 62.839 63.200 0.039 0.000 0.786 88 S HN 0.738 nan 8.310 nan 0.000 0.492 89 G N 0.771 109.614 108.800 0.072 0.000 2.194 89 G HA2 -0.309 3.605 3.960 -0.077 0.000 0.236 89 G HA3 -0.309 3.605 3.960 -0.077 0.000 0.236 89 G C 0.593 175.536 174.900 0.072 0.000 0.987 89 G CA 0.664 45.811 45.100 0.079 0.000 0.635 89 G HN 0.595 nan 8.290 nan 0.000 0.520 90 E N -0.337 119.900 120.200 0.063 0.000 2.085 90 E HA 0.025 4.329 4.350 -0.077 0.000 0.194 90 E C 0.899 177.537 176.600 0.064 0.000 0.994 90 E CA 0.719 57.152 56.400 0.055 0.000 0.801 90 E CB -0.062 29.666 29.700 0.047 0.000 0.743 90 E HN 0.562 nan 8.360 nan 0.000 0.453 91 L N 1.355 122.623 121.223 0.074 0.000 2.322 91 L HA 0.246 4.540 4.340 -0.077 0.000 0.281 91 L C 0.022 176.947 176.870 0.092 0.000 1.014 91 L CA -0.914 53.973 54.840 0.080 0.000 0.815 91 L CB 1.828 43.928 42.059 0.069 0.000 1.247 91 L HN 0.065 nan 8.230 nan 0.000 0.421 92 S N 2.097 117.857 115.700 0.101 0.000 2.603 92 S HA 0.348 4.772 4.470 -0.077 0.000 0.268 92 S C -2.013 172.618 174.600 0.051 0.000 1.317 92 S CA -1.103 57.158 58.200 0.103 0.000 1.012 92 S CB 1.258 64.534 63.200 0.128 0.000 0.926 92 S HN 0.384 nan 8.310 nan 0.000 0.539 93 P HA -0.090 nan 4.420 nan 0.000 0.215 93 P C 1.163 178.420 177.300 -0.071 0.000 1.157 93 P CA 1.271 64.291 63.100 -0.132 0.000 0.868 93 P CB -0.055 31.500 31.700 -0.242 0.000 0.788 94 E N -0.196 120.007 120.200 0.005 0.000 2.086 94 E HA -0.228 4.076 4.350 -0.077 0.000 0.200 94 E C 2.115 178.718 176.600 0.005 0.000 1.012 94 E CA 1.942 58.408 56.400 0.108 0.000 0.812 94 E CB -1.246 28.671 29.700 0.362 0.000 0.743 94 E HN 0.181 nan 8.360 nan 0.000 0.453 95 A N 0.484 123.378 122.820 0.123 0.000 1.858 95 A HA -0.171 4.103 4.320 -0.077 0.000 0.216 95 A C 2.538 180.108 177.584 -0.023 0.000 1.190 95 A CA 2.080 54.208 52.037 0.152 0.000 0.617 95 A CB -1.126 18.018 19.000 0.240 0.000 0.827 95 A HN 0.273 nan 8.150 nan 0.000 0.443 96 V N -2.375 117.539 119.914 -0.000 0.000 2.427 96 V HA -0.173 3.901 4.120 -0.077 0.000 0.248 96 V C 2.188 178.259 176.094 -0.039 0.000 1.051 96 V CA 2.252 64.561 62.300 0.015 0.000 1.048 96 V CB -0.962 30.896 31.823 0.060 0.000 0.666 96 V HN 0.450 nan 8.190 nan 0.000 0.456 97 F N 1.144 120.906 119.950 -0.314 0.000 2.031 97 F HA -0.091 4.390 4.527 -0.076 0.000 0.295 97 F C 2.021 177.484 175.800 -0.561 0.000 1.133 97 F CA 2.464 60.150 58.000 -0.523 0.000 1.188 97 F CB -0.515 38.058 39.000 -0.711 0.000 0.974 97 F HN 0.197 nan 8.300 nan 0.000 0.473 98 F N 0.684 120.433 119.950 -0.335 0.000 2.269 98 F HA -0.146 4.335 4.527 -0.076 0.000 0.301 98 F C 2.484 178.020 175.800 -0.441 0.000 1.082 98 F CA 1.601 59.290 58.000 -0.518 0.000 1.360 98 F CB -1.477 36.959 39.000 -0.940 0.000 1.041 98 F HN -0.026 nan 8.300 nan 0.000 0.512 99 T N -1.120 113.295 114.554 -0.232 0.000 2.643 99 T HA -0.238 4.066 4.350 -0.077 0.000 0.264 99 T C 1.721 176.275 174.700 -0.244 0.000 1.045 99 T CA 1.611 63.609 62.100 -0.170 0.000 1.155 99 T CB -0.724 68.045 68.868 -0.165 0.000 0.863 99 T HN 0.142 nan 8.240 nan 0.000 0.420 100 Y N 1.081 121.201 120.300 -0.301 0.000 2.207 100 Y HA -0.006 4.498 4.550 -0.077 0.000 0.287 100 Y C 2.284 177.962 175.900 -0.370 0.000 1.156 100 Y CA 0.571 58.467 58.100 -0.339 0.000 1.182 100 Y CB -0.478 37.696 38.460 -0.478 0.000 0.979 100 Y HN 0.127 nan 8.280 nan 0.000 0.521 101 L N -1.059 119.912 121.223 -0.419 0.000 2.017 101 L HA -0.201 4.093 4.340 -0.077 0.000 0.208 101 L C 2.518 179.355 176.870 -0.054 0.000 1.073 101 L CA 1.573 56.220 54.840 -0.322 0.000 0.745 101 L CB -1.009 40.759 42.059 -0.485 0.000 0.894 101 L HN 0.383 nan 8.230 nan 0.000 0.432 102 G N -0.081 108.684 108.800 -0.059 0.000 2.491 102 G HA2 -0.386 3.528 3.960 -0.077 0.000 0.218 102 G HA3 -0.386 3.528 3.960 -0.077 0.000 0.218 102 G C 1.579 176.540 174.900 0.101 0.000 1.180 102 G CA 1.205 46.318 45.100 0.022 0.000 0.774 102 G HN 0.230 nan 8.290 nan 0.000 0.562 103 K N 1.075 121.492 120.400 0.028 0.000 2.097 103 K HA 0.161 4.435 4.320 -0.077 0.000 0.206 103 K C 2.677 179.343 176.600 0.109 0.000 1.049 103 K CA 1.515 57.828 56.287 0.044 0.000 0.933 103 K CB -0.646 31.829 32.500 -0.042 0.000 0.717 103 K HN 0.207 nan 8.250 nan 0.000 0.442 104 A N -0.083 122.830 122.820 0.155 0.000 1.858 104 A HA -0.176 4.098 4.320 -0.077 0.000 0.216 104 A C 2.179 179.856 177.584 0.155 0.000 1.190 104 A CA 1.658 53.804 52.037 0.183 0.000 0.617 104 A CB -1.346 17.836 19.000 0.302 0.000 0.827 104 A HN 0.676 nan 8.150 nan 0.000 0.443 105 W N 0.964 122.268 121.300 0.007 0.000 2.338 105 W HA -0.201 4.413 4.660 -0.076 0.000 0.304 105 W C 2.026 178.539 176.519 -0.010 0.000 1.212 105 W CA 2.131 59.468 57.345 -0.013 0.000 1.264 105 W CB -0.059 29.379 29.460 -0.036 0.000 1.142 105 W HN 0.512 nan 8.180 nan 0.000 0.512 106 E N -0.267 120.051 120.200 0.196 0.000 2.028 106 E HA -0.237 4.067 4.350 -0.077 0.000 0.191 106 E C 2.266 178.803 176.600 -0.105 0.000 0.988 106 E CA 2.180 58.601 56.400 0.035 0.000 0.799 106 E CB -0.796 29.002 29.700 0.162 0.000 0.755 106 E HN 0.297 nan 8.360 nan 0.000 0.447 107 V N 0.395 120.285 119.914 -0.040 0.000 2.594 107 V HA -0.211 3.863 4.120 -0.077 0.000 0.253 107 V C 1.864 177.904 176.094 -0.090 0.000 1.069 107 V CA 2.165 64.432 62.300 -0.055 0.000 1.082 107 V CB -0.705 31.110 31.823 -0.013 0.000 0.680 107 V HN 0.151 nan 8.190 nan 0.000 0.469 108 N N 0.757 119.384 118.700 -0.123 0.000 2.309 108 N HA -0.145 4.549 4.740 -0.077 0.000 0.182 108 N C 1.747 177.127 175.510 -0.216 0.000 1.018 108 N CA 1.507 54.467 53.050 -0.150 0.000 0.876 108 N CB -0.367 38.027 38.487 -0.155 0.000 0.972 108 N HN 0.595 nan 8.380 nan 0.000 0.434 109 K N -0.879 119.328 120.400 -0.322 0.000 2.032 109 K HA -0.052 4.222 4.320 -0.077 0.000 0.209 109 K C 1.817 178.315 176.600 -0.170 0.000 1.048 109 K CA 1.419 57.522 56.287 -0.307 0.000 0.927 109 K CB -0.370 31.904 32.500 -0.377 0.000 0.712 109 K HN 0.308 nan 8.250 nan 0.000 0.441 110 G N -0.460 108.262 108.800 -0.130 0.000 2.712 110 G HA2 -0.129 3.785 3.960 -0.077 0.000 0.212 110 G HA3 -0.129 3.785 3.960 -0.077 0.000 0.212 110 G C 1.243 176.112 174.900 -0.052 0.000 1.142 110 G CA 1.165 46.217 45.100 -0.079 0.000 0.789 110 G HN 0.444 nan 8.290 nan 0.000 0.535 111 T N -3.612 110.909 114.554 -0.055 0.000 2.966 111 T HA 0.128 4.432 4.350 -0.077 0.000 0.254 111 T C 0.869 175.557 174.700 -0.021 0.000 0.961 111 T CA 0.475 62.562 62.100 -0.023 0.000 0.915 111 T CB -0.057 68.807 68.868 -0.008 0.000 1.186 111 T HN 0.188 nan 8.240 nan 0.000 0.505 112 N N 0.880 119.553 118.700 -0.044 0.000 2.714 112 N HA -0.204 4.490 4.740 -0.077 0.000 0.253 112 N C 0.675 176.172 175.510 -0.022 0.000 1.024 112 N CA 0.713 53.744 53.050 -0.031 0.000 0.726 112 N CB -1.805 36.678 38.487 -0.006 0.000 0.908 112 N HN 0.826 nan 8.380 nan 0.000 0.542 113 C N -2.928 116.351 119.300 -0.036 0.000 2.865 113 C HA 0.522 4.936 4.460 -0.077 0.000 0.280 113 C C 0.858 175.804 174.990 -0.072 0.000 1.255 113 C CA -0.352 58.645 59.018 -0.036 0.000 1.705 113 C CB -0.682 27.047 27.740 -0.018 0.000 2.080 113 C HN 0.224 nan 8.230 nan 0.000 0.591 114 V N 2.562 122.428 119.914 -0.081 0.000 2.383 114 V HA 0.294 4.368 4.120 -0.077 0.000 0.275 114 V C 1.056 177.060 176.094 -0.149 0.000 1.036 114 V CA 0.620 62.860 62.300 -0.100 0.000 0.889 114 V CB 1.186 32.976 31.823 -0.054 0.000 0.985 114 V HN 0.501 nan 8.190 nan 0.000 0.459 115 T N 2.490 116.893 114.554 -0.251 0.000 3.010 115 T HA 0.102 4.406 4.350 -0.077 0.000 0.252 115 T C 0.633 175.178 174.700 -0.258 0.000 1.047 115 T CA 1.015 62.788 62.100 -0.544 0.000 1.140 115 T CB 0.264 68.645 68.868 -0.812 0.000 0.885 115 T HN 0.637 nan 8.240 nan 0.000 0.464 116 S N -0.522 115.138 115.700 -0.066 0.000 2.537 116 S HA 0.503 4.927 4.470 -0.077 0.000 0.271 116 S C -2.111 172.547 174.600 0.097 0.000 1.148 116 S CA -0.848 57.404 58.200 0.087 0.000 0.868 116 S CB 1.084 64.405 63.200 0.202 0.000 1.115 116 S HN 0.342 nan 8.310 nan 0.000 0.461 117 Y N 4.441 124.762 120.300 0.035 0.000 2.328 117 Y HA 0.616 5.120 4.550 -0.077 0.000 0.337 117 Y C -0.663 175.228 175.900 -0.016 0.000 1.008 117 Y CA -0.965 57.139 58.100 0.007 0.000 1.129 117 Y CB 0.776 39.293 38.460 0.096 0.000 1.185 117 Y HN 0.615 nan 8.280 nan 0.000 0.476 118 L N 6.823 127.669 121.223 -0.628 0.000 2.315 118 L HA 0.141 4.435 4.340 -0.077 0.000 0.283 118 L C 0.620 177.129 176.870 -0.602 0.000 1.089 118 L CA -0.388 53.903 54.840 -0.914 0.000 0.833 118 L CB 0.595 41.804 42.059 -1.416 0.000 1.170 118 L HN 0.781 nan 8.230 nan 0.000 0.442 119 T N 3.772 118.240 114.554 -0.143 0.000 2.723 119 T HA -0.137 4.167 4.350 -0.077 0.000 0.260 119 T C 0.618 175.347 174.700 0.048 0.000 1.019 119 T CA 0.419 62.579 62.100 0.099 0.000 1.155 119 T CB -0.373 68.710 68.868 0.358 0.000 1.024 119 T HN 0.863 nan 8.240 nan 0.000 0.491 120 D N 0.967 121.363 120.400 -0.006 0.000 2.730 120 D HA -0.253 4.341 4.640 -0.077 0.000 0.227 120 D C 1.481 177.757 176.300 -0.040 0.000 1.196 120 D CA 0.730 54.722 54.000 -0.013 0.000 0.620 120 D CB -2.021 38.788 40.800 0.015 0.000 1.012 120 D HN 0.861 nan 8.370 nan 0.000 0.411 121 C N -1.880 117.353 119.300 -0.112 0.000 2.432 121 C HA -0.043 4.371 4.460 -0.077 0.000 0.282 121 C C 2.168 177.006 174.990 -0.255 0.000 1.388 121 C CA 0.188 59.141 59.018 -0.109 0.000 1.777 121 C CB -0.296 27.398 27.740 -0.075 0.000 1.882 121 C HN 0.410 nan 8.230 nan 0.000 0.520 122 E N 1.356 121.417 120.200 -0.231 0.000 2.107 122 E HA -0.111 4.193 4.350 -0.077 0.000 0.191 122 E C 2.188 178.675 176.600 -0.189 0.000 0.982 122 E CA 1.817 58.041 56.400 -0.294 0.000 0.809 122 E CB -0.480 29.199 29.700 -0.036 0.000 0.756 122 E HN 0.717 nan 8.360 nan 0.000 0.459 123 T N 1.269 115.765 114.554 -0.097 0.000 2.867 123 T HA -0.156 4.148 4.350 -0.077 0.000 0.268 123 T C 1.864 176.513 174.700 -0.084 0.000 1.057 123 T CA 1.199 63.261 62.100 -0.063 0.000 1.136 123 T CB -0.072 68.780 68.868 -0.027 0.000 0.874 123 T HN 0.009 nan 8.240 nan 0.000 0.466 124 Q N 0.974 120.710 119.800 -0.106 0.000 2.119 124 Q HA 0.085 4.379 4.340 -0.077 0.000 0.201 124 Q C 2.108 178.016 176.000 -0.152 0.000 0.972 124 Q CA 1.038 56.780 55.803 -0.101 0.000 0.847 124 Q CB -0.800 27.896 28.738 -0.069 0.000 0.903 124 Q HN 0.431 nan 8.270 nan 0.000 0.433 125 L N 0.168 121.229 121.223 -0.271 0.000 1.997 125 L HA -0.250 4.044 4.340 -0.077 0.000 0.216 125 L C 2.068 178.818 176.870 -0.200 0.000 1.074 125 L CA 2.322 56.945 54.840 -0.361 0.000 0.763 125 L CB -0.726 40.950 42.059 -0.638 0.000 0.890 125 L HN 0.472 nan 8.230 nan 0.000 0.434 126 S N -2.176 113.445 115.700 -0.132 0.000 2.522 126 S HA -0.144 4.280 4.470 -0.077 0.000 0.227 126 S C 1.642 176.235 174.600 -0.011 0.000 0.986 126 S CA 0.402 58.574 58.200 -0.047 0.000 0.929 126 S CB 0.220 63.404 63.200 -0.027 0.000 0.769 126 S HN 0.400 nan 8.310 nan 0.000 0.529 127 Q N 1.667 121.451 119.800 -0.026 0.000 2.259 127 Q HA 0.493 4.787 4.340 -0.077 0.000 0.201 127 Q C 0.885 176.902 176.000 0.028 0.000 0.938 127 Q CA 0.601 56.402 55.803 -0.004 0.000 0.872 127 Q CB -0.445 28.279 28.738 -0.024 0.000 0.971 127 Q HN 0.669 nan 8.270 nan 0.000 0.494 128 A N 2.951 125.783 122.820 0.020 0.000 2.494 128 A HA -0.062 4.212 4.320 -0.077 0.000 0.291 128 A C -2.082 175.620 177.584 0.196 0.000 0.951 128 A CA -0.591 51.489 52.037 0.070 0.000 1.099 128 A CB -0.805 18.188 19.000 -0.012 0.000 0.783 128 A HN 0.124 nan 8.150 nan 0.000 0.433 129 P HA -0.041 nan 4.420 nan 0.000 0.256 129 P C 1.057 178.402 177.300 0.075 0.000 1.173 129 P CA -0.059 63.084 63.100 0.071 0.000 0.768 129 P CB 0.419 32.138 31.700 0.031 0.000 0.758 130 R N 3.127 123.559 120.500 -0.112 0.000 2.127 130 R HA -0.185 4.109 4.340 -0.077 0.000 0.238 130 R C 1.497 177.573 176.300 -0.373 0.000 1.134 130 R CA 1.785 57.564 56.100 -0.536 0.000 0.975 130 R CB -0.256 29.795 30.300 -0.416 0.000 0.865 130 R HN 0.473 nan 8.270 nan 0.000 0.447 131 Q N -0.775 118.938 119.800 -0.145 0.000 2.297 131 Q HA 0.077 4.371 4.340 -0.077 0.000 0.204 131 Q C 0.358 176.351 176.000 -0.012 0.000 0.962 131 Q CA 0.670 56.429 55.803 -0.072 0.000 0.879 131 Q CB -0.160 28.559 28.738 -0.031 0.000 0.947 131 Q HN 0.338 nan 8.270 nan 0.000 0.462 132 G N -0.085 108.734 108.800 0.033 0.000 2.321 132 G HA2 -0.029 3.885 3.960 -0.077 0.000 0.237 132 G HA3 -0.029 3.885 3.960 -0.077 0.000 0.237 132 G C 0.296 175.239 174.900 0.073 0.000 1.282 132 G CA -0.290 44.851 45.100 0.068 0.000 0.886 132 G HN 0.348 nan 8.290 nan 0.000 0.528 133 L N 1.322 122.569 121.223 0.040 0.000 2.353 133 L HA 0.025 4.319 4.340 -0.077 0.000 0.220 133 L C 1.786 178.670 176.870 0.023 0.000 1.133 133 L CA 0.834 55.688 54.840 0.023 0.000 0.798 133 L CB -0.070 41.985 42.059 -0.007 0.000 0.922 133 L HN 0.458 nan 8.230 nan 0.000 0.445 134 L N -1.436 119.804 121.223 0.028 0.000 3.209 134 L HA 0.148 4.442 4.340 -0.077 0.000 0.279 134 L C -0.247 176.641 176.870 0.029 0.000 1.301 134 L CA -0.697 54.147 54.840 0.006 0.000 1.004 134 L CB -0.093 41.944 42.059 -0.036 0.000 1.402 134 L HN 0.063 nan 8.230 nan 0.000 0.577 135 Y N 1.430 121.711 120.300 -0.031 0.000 2.804 135 Y HA 0.172 4.676 4.550 -0.077 0.000 0.338 135 Y C 1.446 177.330 175.900 -0.028 0.000 1.252 135 Y CA 1.180 59.263 58.100 -0.028 0.000 1.576 135 Y CB 0.377 38.826 38.460 -0.019 0.000 1.223 135 Y HN 0.444 nan 8.280 nan 0.000 0.536 136 G N 3.667 112.100 108.800 -0.610 0.000 2.159 136 G HA2 -0.271 3.643 3.960 -0.077 0.000 0.256 136 G HA3 -0.271 3.643 3.960 -0.077 0.000 0.256 136 G C -0.367 174.366 174.900 -0.277 0.000 0.977 136 G CA 0.066 44.805 45.100 -0.602 0.000 0.652 136 G HN 0.720 nan 8.290 nan 0.000 0.531 137 V N 2.602 122.404 119.914 -0.187 0.000 2.455 137 V HA 0.385 4.459 4.120 -0.077 0.000 0.273 137 V C -1.500 174.516 176.094 -0.131 0.000 1.045 137 V CA -1.250 60.961 62.300 -0.149 0.000 0.976 137 V CB 1.312 33.066 31.823 -0.115 0.000 0.993 137 V HN 0.157 nan 8.190 nan 0.000 0.475 138 P HA 0.269 nan 4.420 nan 0.000 0.276 138 P C -0.848 176.481 177.300 0.049 0.000 1.235 138 P CA -0.031 62.983 63.100 -0.145 0.000 0.772 138 P CB 0.899 32.178 31.700 -0.702 0.000 0.871 139 V N 2.770 122.839 119.914 0.259 0.000 2.588 139 V HA 0.381 4.455 4.120 -0.077 0.000 0.304 139 V C 0.179 176.237 176.094 -0.060 0.000 1.042 139 V CA -0.621 61.731 62.300 0.087 0.000 0.877 139 V CB 1.993 33.792 31.823 -0.040 0.000 0.996 139 V HN 0.595 nan 8.190 nan 0.000 0.425 140 S N 5.406 120.987 115.700 -0.197 0.000 2.554 140 S HA 0.814 5.238 4.470 -0.077 0.000 0.278 140 S C -0.714 173.732 174.600 -0.257 0.000 1.242 140 S CA -0.684 57.277 58.200 -0.398 0.000 1.051 140 S CB 1.072 64.076 63.200 -0.327 0.000 0.986 140 S HN 0.522 nan 8.310 nan 0.000 0.502 141 L N 1.950 123.045 121.223 -0.213 0.000 2.362 141 L HA 0.520 4.814 4.340 -0.077 0.000 0.275 141 L C 0.218 177.154 176.870 0.110 0.000 0.998 141 L CA -0.920 53.874 54.840 -0.077 0.000 0.820 141 L CB 1.841 43.917 42.059 0.028 0.000 1.270 141 L HN 0.731 nan 8.230 nan 0.000 0.415 142 K N 2.005 122.531 120.400 0.211 0.000 2.469 142 K HA -0.059 4.215 4.320 -0.077 0.000 0.274 142 K C 1.014 177.693 176.600 0.131 0.000 0.983 142 K CA 0.122 56.533 56.287 0.207 0.000 0.974 142 K CB 0.751 33.426 32.500 0.291 0.000 0.913 142 K HN 0.675 nan 8.250 nan 0.000 0.493 143 E N 2.369 122.491 120.200 -0.130 0.000 2.265 143 E HA -0.198 4.106 4.350 -0.077 0.000 0.196 143 E C 1.522 177.861 176.600 -0.435 0.000 0.996 143 E CA 1.452 57.530 56.400 -0.538 0.000 0.832 143 E CB -0.068 29.430 29.700 -0.337 0.000 0.756 143 E HN 0.806 nan 8.360 nan 0.000 0.491 144 C N -0.395 118.788 119.300 -0.195 0.000 2.456 144 C HA 0.107 4.521 4.460 -0.077 0.000 0.279 144 C C 1.142 176.018 174.990 -0.189 0.000 1.427 144 C CA -0.767 58.138 59.018 -0.188 0.000 1.778 144 C CB -1.698 25.904 27.740 -0.230 0.000 1.842 144 C HN 0.052 nan 8.230 nan 0.000 0.531 145 F N 3.577 123.530 119.950 0.004 0.000 2.490 145 F HA 0.241 4.720 4.527 -0.079 0.000 0.357 145 F C 1.102 177.034 175.800 0.220 0.000 1.166 145 F CA 0.199 58.263 58.000 0.106 0.000 1.116 145 F CB -0.157 38.915 39.000 0.119 0.000 1.171 145 F HN 0.096 nan 8.300 nan 0.000 0.576 146 S N 3.364 119.233 115.700 0.280 0.000 2.568 146 S HA 0.121 4.545 4.470 -0.077 0.000 0.282 146 S C -0.827 173.967 174.600 0.323 0.000 1.338 146 S CA -0.047 58.320 58.200 0.278 0.000 1.045 146 S CB 0.437 63.736 63.200 0.165 0.000 0.873 146 S HN 0.530 nan 8.310 nan 0.000 0.516 147 Y N 1.325 121.730 120.300 0.174 0.000 2.457 147 Y HA 0.336 4.840 4.550 -0.077 0.000 0.343 147 Y C -0.149 175.799 175.900 0.082 0.000 0.994 147 Y CA -0.976 57.146 58.100 0.036 0.000 1.031 147 Y CB 1.136 39.468 38.460 -0.213 0.000 1.246 147 Y HN 0.616 nan 8.280 nan 0.000 0.449 148 K N 3.311 123.634 120.400 -0.130 0.000 2.491 148 K HA 0.285 4.559 4.320 -0.077 0.000 0.279 148 K C 0.969 177.713 176.600 0.239 0.000 1.026 148 K CA 1.623 57.916 56.287 0.011 0.000 1.070 148 K CB -0.219 32.216 32.500 -0.108 0.000 0.887 148 K HN 1.094 nan 8.250 nan 0.000 0.481 149 G N 2.933 111.856 108.800 0.205 0.000 2.179 149 G HA2 -0.241 3.673 3.960 -0.077 0.000 0.260 149 G HA3 -0.241 3.673 3.960 -0.077 0.000 0.260 149 G C -0.551 174.449 174.900 0.166 0.000 0.977 149 G CA 0.368 45.579 45.100 0.185 0.000 0.641 149 G HN 0.782 nan 8.290 nan 0.000 0.533 150 H N 0.705 119.873 119.070 0.164 0.000 2.524 150 H HA 0.536 5.046 4.556 -0.076 0.000 0.353 150 H C -0.327 175.114 175.328 0.190 0.000 1.136 150 H CA -0.727 55.432 56.048 0.185 0.000 1.193 150 H CB 1.164 31.061 29.762 0.225 0.000 1.558 150 H HN 0.107 nan 8.280 nan 0.000 0.515 151 D N 0.748 121.282 120.400 0.224 0.000 2.423 151 D HA 0.070 4.664 4.640 -0.077 0.000 0.238 151 D C -0.175 176.260 176.300 0.225 0.000 1.142 151 D CA 0.384 54.499 54.000 0.192 0.000 0.884 151 D CB 0.726 41.624 40.800 0.164 0.000 1.199 151 D HN 0.340 nan 8.370 nan 0.000 0.438 152 S N 0.215 115.996 115.700 0.136 0.000 2.328 152 S HA 0.103 4.527 4.470 -0.077 0.000 0.204 152 S C 1.409 176.038 174.600 0.049 0.000 1.475 152 S CA -0.605 57.620 58.200 0.041 0.000 1.148 152 S CB 0.616 63.829 63.200 0.023 0.000 1.077 152 S HN 0.528 nan 8.310 nan 0.000 0.479 153 T N 0.184 114.793 114.554 0.092 0.000 2.867 153 T HA -0.011 4.293 4.350 -0.077 0.000 0.268 153 T C 1.102 175.829 174.700 0.044 0.000 1.057 153 T CA 0.486 62.642 62.100 0.093 0.000 1.136 153 T CB -0.708 68.265 68.868 0.175 0.000 0.874 153 T HN 0.591 nan 8.240 nan 0.000 0.466 154 L N 0.446 121.695 121.223 0.043 0.000 4.179 154 L HA -0.245 4.049 4.340 -0.077 0.000 0.418 154 L C 1.498 178.390 176.870 0.036 0.000 1.168 154 L CA 0.355 55.208 54.840 0.022 0.000 0.972 154 L CB -2.572 39.479 42.059 -0.014 0.000 2.005 154 L HN 0.710 nan 8.230 nan 0.000 0.935 155 G N -1.695 107.163 108.800 0.097 0.000 2.189 155 G HA2 -0.301 3.613 3.960 -0.077 0.000 0.267 155 G HA3 -0.301 3.613 3.960 -0.077 0.000 0.267 155 G C 0.124 175.000 174.900 -0.040 0.000 0.975 155 G CA 0.443 45.584 45.100 0.069 0.000 0.644 155 G HN 0.171 nan 8.290 nan 0.000 0.537 156 L N 0.923 122.095 121.223 -0.086 0.000 2.312 156 L HA 0.603 4.897 4.340 -0.077 0.000 0.281 156 L C 1.780 178.582 176.870 -0.113 0.000 1.070 156 L CA 0.811 55.547 54.840 -0.174 0.000 0.805 156 L CB 1.116 43.028 42.059 -0.245 0.000 1.174 156 L HN 0.184 nan 8.230 nan 0.000 0.434 157 S N 3.404 119.034 115.700 -0.117 0.000 2.368 157 S HA -0.129 4.295 4.470 -0.077 0.000 0.225 157 S C 1.771 176.328 174.600 -0.071 0.000 1.030 157 S CA 1.499 59.651 58.200 -0.079 0.000 0.999 157 S CB -0.167 62.990 63.200 -0.072 0.000 0.844 157 S HN 0.607 nan 8.310 nan 0.000 0.459 158 L N 0.054 121.225 121.223 -0.088 0.000 2.362 158 L HA 0.143 4.437 4.340 -0.077 0.000 0.219 158 L C 1.175 178.022 176.870 -0.038 0.000 1.134 158 L CA 1.420 56.222 54.840 -0.063 0.000 0.807 158 L CB -0.549 41.467 42.059 -0.072 0.000 0.927 158 L HN 0.134 nan 8.230 nan 0.000 0.447 159 N N 0.202 118.880 118.700 -0.037 0.000 2.336 159 N HA 0.028 4.722 4.740 -0.077 0.000 0.189 159 N C 0.246 175.766 175.510 0.016 0.000 1.113 159 N CA 0.205 53.253 53.050 -0.003 0.000 0.858 159 N CB -0.001 38.486 38.487 0.001 0.000 0.970 159 N HN 0.478 nan 8.380 nan 0.000 0.471 160 E N 0.397 120.597 120.200 0.001 0.000 2.331 160 E HA 0.274 4.578 4.350 -0.077 0.000 0.272 160 E C 0.447 177.055 176.600 0.013 0.000 1.036 160 E CA -0.050 56.357 56.400 0.011 0.000 0.864 160 E CB 0.656 30.344 29.700 -0.020 0.000 1.035 160 E HN 0.346 nan 8.360 nan 0.000 0.408 161 G N 4.566 113.381 108.800 0.024 0.000 2.246 161 G HA2 -0.190 3.724 3.960 -0.077 0.000 0.273 161 G HA3 -0.190 3.724 3.960 -0.077 0.000 0.273 161 G C 0.159 175.073 174.900 0.023 0.000 1.055 161 G CA 0.486 45.597 45.100 0.020 0.000 0.851 161 G HN 0.338 nan 8.290 nan 0.000 0.500 162 M N 0.703 120.325 119.600 0.036 0.000 2.720 162 M HA 0.234 4.668 4.480 -0.077 0.000 0.250 162 M C -2.562 173.773 176.300 0.058 0.000 1.280 162 M CA -1.782 53.541 55.300 0.038 0.000 0.579 162 M CB 1.183 33.804 32.600 0.035 0.000 1.469 162 M HN 0.065 nan 8.290 nan 0.000 0.416 163 P HA 0.160 nan 4.420 nan 0.000 0.271 163 P C -0.208 177.146 177.300 0.091 0.000 1.216 163 P CA 0.157 63.307 63.100 0.084 0.000 0.776 163 P CB 0.553 32.288 31.700 0.058 0.000 0.881 164 S N 1.734 117.512 115.700 0.131 0.000 2.562 164 S HA -0.006 4.418 4.470 -0.077 0.000 0.281 164 S C 1.360 176.007 174.600 0.078 0.000 1.333 164 S CA -0.263 58.001 58.200 0.107 0.000 1.052 164 S CB 0.620 63.903 63.200 0.138 0.000 0.884 164 S HN 0.526 nan 8.310 nan 0.000 0.506 165 E N 1.571 121.800 120.200 0.048 0.000 2.274 165 E HA -0.041 4.263 4.350 -0.077 0.000 0.194 165 E C 0.378 176.985 176.600 0.012 0.000 0.996 165 E CA 0.590 57.006 56.400 0.027 0.000 0.840 165 E CB 0.230 29.940 29.700 0.016 0.000 0.772 165 E HN 0.712 nan 8.360 nan 0.000 0.491 166 S N -1.184 114.522 115.700 0.009 0.000 2.595 166 S HA 0.272 4.696 4.470 -0.077 0.000 0.270 166 S C -1.426 173.150 174.600 -0.040 0.000 1.145 166 S CA -1.226 56.955 58.200 -0.031 0.000 0.825 166 S CB 0.727 63.910 63.200 -0.029 0.000 1.107 166 S HN -0.079 nan 8.310 nan 0.000 0.461 167 D N 1.724 122.052 120.400 -0.121 0.000 2.455 167 D HA 0.292 4.886 4.640 -0.077 0.000 0.241 167 D C 1.112 177.403 176.300 -0.016 0.000 1.138 167 D CA -0.129 53.796 54.000 -0.125 0.000 0.877 167 D CB 0.250 40.907 40.800 -0.239 0.000 1.187 167 D HN 0.915 nan 8.370 nan 0.000 0.451 168 C N 0.560 119.896 119.300 0.060 0.000 2.727 168 C HA 0.105 4.519 4.460 -0.077 0.000 0.401 168 C C 2.186 177.219 174.990 0.072 0.000 1.294 168 C CA -0.929 58.145 59.018 0.092 0.000 2.134 168 C CB -0.043 27.798 27.740 0.169 0.000 2.724 168 C HN 0.508 nan 8.230 nan 0.000 0.677 169 V N 2.935 122.893 119.914 0.074 0.000 2.282 169 V HA -0.228 3.846 4.120 -0.077 0.000 0.249 169 V C 2.662 178.784 176.094 0.047 0.000 1.057 169 V CA 2.756 65.088 62.300 0.053 0.000 1.032 169 V CB -1.056 30.806 31.823 0.065 0.000 0.645 169 V HN 1.046 nan 8.190 nan 0.000 0.447 170 V N -2.064 117.904 119.914 0.091 0.000 2.626 170 V HA -0.116 3.958 4.120 -0.077 0.000 0.252 170 V C 2.177 178.273 176.094 0.003 0.000 1.067 170 V CA 1.763 64.095 62.300 0.054 0.000 1.081 170 V CB -0.553 31.328 31.823 0.097 0.000 0.686 170 V HN 0.284 nan 8.190 nan 0.000 0.468 171 V N 0.667 120.604 119.914 0.037 0.000 2.295 171 V HA -0.289 3.785 4.120 -0.077 0.000 0.246 171 V C 2.896 178.961 176.094 -0.047 0.000 1.049 171 V CA 2.640 64.942 62.300 0.003 0.000 1.024 171 V CB -0.877 30.980 31.823 0.056 0.000 0.648 171 V HN 0.582 nan 8.190 nan 0.000 0.447 172 Q N -0.224 119.543 119.800 -0.056 0.000 2.112 172 Q HA -0.220 4.074 4.340 -0.077 0.000 0.206 172 Q C 2.344 178.274 176.000 -0.117 0.000 0.987 172 Q CA 2.419 58.167 55.803 -0.092 0.000 0.858 172 Q CB -0.468 28.227 28.738 -0.071 0.000 0.905 172 Q HN 0.758 nan 8.270 nan 0.000 0.420 173 V N -1.965 117.893 119.914 -0.093 0.000 2.453 173 V HA -0.169 3.905 4.120 -0.077 0.000 0.247 173 V C 2.070 178.096 176.094 -0.112 0.000 1.048 173 V CA 1.085 63.314 62.300 -0.118 0.000 1.049 173 V CB -0.782 31.000 31.823 -0.068 0.000 0.672 173 V HN 0.248 nan 8.190 nan 0.000 0.457 174 L N 0.015 121.186 121.223 -0.087 0.000 1.978 174 L HA -0.242 4.052 4.340 -0.077 0.000 0.218 174 L C 2.974 179.797 176.870 -0.078 0.000 1.075 174 L CA 2.668 57.461 54.840 -0.079 0.000 0.767 174 L CB -0.735 41.279 42.059 -0.075 0.000 0.890 174 L HN 0.294 nan 8.230 nan 0.000 0.434 175 K N -0.085 120.265 120.400 -0.082 0.000 2.032 175 K HA -0.196 4.078 4.320 -0.077 0.000 0.209 175 K C 2.067 178.600 176.600 -0.111 0.000 1.048 175 K CA 1.394 57.631 56.287 -0.084 0.000 0.927 175 K CB -0.318 32.127 32.500 -0.093 0.000 0.712 175 K HN 0.229 nan 8.250 nan 0.000 0.441 176 L N 0.504 121.615 121.223 -0.187 0.000 2.191 176 L HA -0.177 4.117 4.340 -0.077 0.000 0.212 176 L C 2.102 178.858 176.870 -0.190 0.000 1.103 176 L CA 0.813 55.472 54.840 -0.301 0.000 0.769 176 L CB -0.093 41.544 42.059 -0.704 0.000 0.908 176 L HN 0.149 nan 8.230 nan 0.000 0.438 177 Q N -0.272 119.460 119.800 -0.113 0.000 2.280 177 Q HA 0.130 4.424 4.340 -0.077 0.000 0.202 177 Q C 1.259 177.263 176.000 0.007 0.000 0.903 177 Q CA 0.624 56.410 55.803 -0.028 0.000 0.948 177 Q CB 0.256 28.974 28.738 -0.033 0.000 1.058 177 Q HN 0.382 nan 8.270 nan 0.000 0.493 178 G N -1.274 107.532 108.800 0.009 0.000 2.217 178 G HA2 -0.290 3.624 3.960 -0.077 0.000 0.246 178 G HA3 -0.290 3.624 3.960 -0.077 0.000 0.246 178 G C 0.393 175.280 174.900 -0.021 0.000 0.990 178 G CA 0.092 45.229 45.100 0.063 0.000 0.627 178 G HN 0.702 nan 8.290 nan 0.000 0.522 179 A N -0.498 122.297 122.820 -0.040 0.000 2.386 179 A HA 0.652 4.926 4.320 -0.077 0.000 0.246 179 A C 0.438 177.994 177.584 -0.047 0.000 1.089 179 A CA 0.793 52.796 52.037 -0.057 0.000 0.790 179 A CB 0.904 19.872 19.000 -0.054 0.000 1.042 179 A HN 1.240 nan 8.150 nan 0.000 0.497 180 V N 2.462 122.365 119.914 -0.019 0.000 2.380 180 V HA 0.260 4.334 4.120 -0.077 0.000 0.268 180 V C -2.645 173.532 176.094 0.139 0.000 1.008 180 V CA -1.279 61.038 62.300 0.028 0.000 0.823 180 V CB 0.941 32.760 31.823 -0.008 0.000 1.053 180 V HN 0.714 nan 8.190 nan 0.000 0.446 181 P HA 0.176 nan 4.420 nan 0.000 0.271 181 P C 0.123 177.430 177.300 0.013 0.000 1.226 181 P CA 0.106 63.232 63.100 0.043 0.000 0.765 181 P CB 0.339 32.064 31.700 0.042 0.000 0.835 182 F N 3.341 123.188 119.950 -0.172 0.000 2.667 182 F HA 0.336 4.816 4.527 -0.078 0.000 0.288 182 F C 0.005 175.695 175.800 -0.184 0.000 1.086 182 F CA -0.276 57.645 58.000 -0.132 0.000 1.297 182 F CB -0.161 38.851 39.000 0.020 0.000 1.059 182 F HN 0.100 nan 8.300 nan 0.000 0.624 183 V N -1.348 118.081 119.914 -0.808 0.000 3.007 183 V HA 0.535 4.609 4.120 -0.077 0.000 0.311 183 V C -1.265 174.563 176.094 -0.443 0.000 1.120 183 V CA -0.994 60.972 62.300 -0.557 0.000 0.980 183 V CB 1.380 32.889 31.823 -0.524 0.000 1.033 183 V HN 0.285 nan 8.190 nan 0.000 0.429 184 H N 1.620 120.505 119.070 -0.308 0.000 2.527 184 H HA 0.639 5.148 4.556 -0.077 0.000 0.321 184 H C 0.229 175.429 175.328 -0.213 0.000 1.087 184 H CA 0.069 55.984 56.048 -0.222 0.000 1.337 184 H CB 1.627 31.294 29.762 -0.158 0.000 1.440 184 H HN 1.039 nan 8.280 nan 0.000 0.490 185 T N 1.045 115.576 114.554 -0.039 0.000 2.895 185 T HA 0.160 4.464 4.350 -0.077 0.000 0.283 185 T C 0.368 175.010 174.700 -0.097 0.000 1.014 185 T CA -1.169 60.879 62.100 -0.088 0.000 1.037 185 T CB 1.473 70.299 68.868 -0.069 0.000 1.006 185 T HN 0.456 nan 8.240 nan 0.000 0.468 186 N N 0.548 119.185 118.700 -0.105 0.000 2.416 186 N HA 0.348 5.042 4.740 -0.077 0.000 0.246 186 N C -0.331 175.168 175.510 -0.018 0.000 1.260 186 N CA 0.010 53.011 53.050 -0.082 0.000 0.897 186 N CB 0.464 38.929 38.487 -0.037 0.000 1.110 186 N HN 0.813 nan 8.380 nan 0.000 0.439 187 V N -0.480 119.444 119.914 0.016 0.000 3.078 187 V HA 0.767 4.841 4.120 -0.077 0.000 0.311 187 V C -2.666 173.469 176.094 0.069 0.000 1.138 187 V CA -2.075 60.248 62.300 0.038 0.000 1.007 187 V CB 1.971 33.811 31.823 0.028 0.000 1.045 187 V HN 0.618 nan 8.190 nan 0.000 0.432 188 P HA 0.145 nan 4.420 nan 0.000 0.274 188 P C -0.642 176.732 177.300 0.123 0.000 1.237 188 P CA -0.142 63.014 63.100 0.092 0.000 0.793 188 P CB 0.561 32.309 31.700 0.081 0.000 0.977 189 Q N 1.651 121.534 119.800 0.139 0.000 2.262 189 Q HA 0.023 4.317 4.340 -0.077 0.000 0.298 189 Q C 0.693 176.810 176.000 0.195 0.000 1.083 189 Q CA 1.310 57.191 55.803 0.131 0.000 0.962 189 Q CB -0.305 28.528 28.738 0.158 0.000 1.104 189 Q HN 0.714 nan 8.270 nan 0.000 0.376 190 S N 3.256 119.010 115.700 0.091 0.000 2.929 190 S HA -0.319 4.105 4.470 -0.077 0.000 0.271 190 S C 0.538 175.315 174.600 0.296 0.000 1.295 190 S CA 1.468 59.763 58.200 0.159 0.000 1.277 190 S CB -1.887 61.500 63.200 0.312 0.000 1.557 190 S HN 1.007 nan 8.310 nan 0.000 0.666 191 M N -2.345 117.390 119.600 0.225 0.000 2.818 191 M HA -0.209 4.225 4.480 -0.077 0.000 0.194 191 M C 0.027 176.469 176.300 0.237 0.000 0.586 191 M CA 1.441 56.850 55.300 0.181 0.000 0.664 191 M CB -2.302 30.368 32.600 0.117 0.000 2.418 191 M HN 0.533 nan 8.290 nan 0.000 0.517 192 F N 0.312 120.395 119.950 0.221 0.000 2.928 192 F HA 0.511 4.995 4.527 -0.072 0.000 0.337 192 F C 0.509 176.401 175.800 0.153 0.000 1.259 192 F CA -0.057 58.058 58.000 0.192 0.000 1.267 192 F CB 0.796 39.931 39.000 0.225 0.000 0.986 192 F HN 0.077 nan 8.300 nan 0.000 0.507 193 S N -0.401 115.361 115.700 0.102 0.000 2.595 193 S HA 0.326 4.750 4.470 -0.077 0.000 0.281 193 S C -0.283 174.286 174.600 -0.052 0.000 1.117 193 S CA -0.461 57.740 58.200 0.001 0.000 0.873 193 S CB 0.850 64.048 63.200 -0.003 0.000 1.108 193 S HN 0.307 nan 8.310 nan 0.000 0.477 194 Y N 0.883 121.032 120.300 -0.252 0.000 2.683 194 Y HA 0.544 5.053 4.550 -0.067 0.000 0.297 194 Y C 0.230 175.988 175.900 -0.237 0.000 1.147 194 Y CA -0.767 57.117 58.100 -0.361 0.000 1.274 194 Y CB -0.147 37.779 38.460 -0.889 0.000 1.143 194 Y HN 0.458 nan 8.280 nan 0.000 0.527 195 D N -0.167 120.081 120.400 -0.254 0.000 2.560 195 D HA 0.320 4.914 4.640 -0.077 0.000 0.277 195 D C -0.604 175.677 176.300 -0.032 0.000 1.194 195 D CA -0.846 53.076 54.000 -0.129 0.000 1.092 195 D CB 1.989 42.699 40.800 -0.150 0.000 1.169 195 D HN 0.178 nan 8.370 nan 0.000 0.607 196 C N 1.128 120.430 119.300 0.002 0.000 3.181 196 C HA 0.490 4.904 4.460 -0.077 0.000 0.216 196 C C -0.714 174.301 174.990 0.042 0.000 1.834 196 C CA -0.255 58.781 59.018 0.031 0.000 1.208 196 C CB -1.517 26.247 27.740 0.039 0.000 2.103 196 C HN 0.373 nan 8.230 nan 0.000 0.579 197 S N 2.255 117.981 115.700 0.044 0.000 2.536 197 S HA 0.876 5.300 4.470 -0.077 0.000 0.298 197 S C -0.782 173.862 174.600 0.074 0.000 1.083 197 S CA -0.288 57.944 58.200 0.053 0.000 0.995 197 S CB 1.167 64.385 63.200 0.031 0.000 1.058 197 S HN 0.866 nan 8.310 nan 0.000 0.488 198 N N 2.067 120.817 118.700 0.083 0.000 2.494 198 N HA 0.555 5.249 4.740 -0.077 0.000 0.270 198 N C -2.887 172.647 175.510 0.040 0.000 1.285 198 N CA -1.531 51.569 53.050 0.083 0.000 0.812 198 N CB 1.405 39.959 38.487 0.112 0.000 1.557 198 N HN 0.203 nan 8.380 nan 0.000 0.487 199 P HA 0.045 nan 4.420 nan 0.000 0.233 199 P C 0.717 177.958 177.300 -0.099 0.000 1.167 199 P CA 0.264 63.338 63.100 -0.043 0.000 0.770 199 P CB 0.270 31.981 31.700 0.019 0.000 0.837 200 L N -1.704 119.430 121.223 -0.149 0.000 2.022 200 L HA 0.069 4.363 4.340 -0.077 0.000 0.204 200 L C 1.952 178.527 176.870 -0.492 0.000 1.076 200 L CA 1.952 56.551 54.840 -0.402 0.000 0.749 200 L CB -1.590 40.089 42.059 -0.633 0.000 0.903 200 L HN -0.087 nan 8.230 nan 0.000 0.439 201 F N -1.117 118.837 119.950 0.007 0.000 2.695 201 F HA 0.470 4.951 4.527 -0.076 0.000 0.303 201 F C 1.511 177.308 175.800 -0.004 0.000 1.091 201 F CA 0.324 58.327 58.000 0.005 0.000 1.300 201 F CB -0.151 38.857 39.000 0.013 0.000 1.071 201 F HN 0.208 nan 8.300 nan 0.000 0.578 202 G N 0.913 109.781 108.800 0.113 0.000 2.527 202 G HA2 -0.267 3.647 3.960 -0.077 0.000 0.227 202 G HA3 -0.267 3.647 3.960 -0.077 0.000 0.227 202 G C -0.675 174.269 174.900 0.073 0.000 1.291 202 G CA -0.439 44.697 45.100 0.060 0.000 0.904 202 G HN 0.332 nan 8.290 nan 0.000 0.577 203 Q N 0.173 120.000 119.800 0.045 0.000 2.322 203 Q HA 0.614 4.908 4.340 -0.077 0.000 0.265 203 Q C -0.387 175.633 176.000 0.033 0.000 0.985 203 Q CA -0.340 55.484 55.803 0.036 0.000 0.849 203 Q CB 1.133 29.881 28.738 0.017 0.000 1.274 203 Q HN 0.638 nan 8.270 nan 0.000 0.449 204 T N 4.566 119.142 114.554 0.037 0.000 2.889 204 T HA 0.450 4.754 4.350 -0.077 0.000 0.291 204 T C -0.106 174.616 174.700 0.037 0.000 0.995 204 T CA -0.197 61.922 62.100 0.032 0.000 1.092 204 T CB 0.661 69.549 68.868 0.033 0.000 0.954 204 T HN 0.579 nan 8.240 nan 0.000 0.506 205 M N 2.528 122.150 119.600 0.037 0.000 2.644 205 M HA 0.368 4.802 4.480 -0.077 0.000 0.316 205 M C 0.380 176.727 176.300 0.078 0.000 1.200 205 M CA -0.961 54.367 55.300 0.048 0.000 0.944 205 M CB 1.305 33.923 32.600 0.030 0.000 1.691 205 M HN 0.425 nan 8.290 nan 0.000 0.471 206 N N 3.127 121.888 118.700 0.102 0.000 2.475 206 N HA 0.125 4.819 4.740 -0.077 0.000 0.267 206 N C -1.904 173.705 175.510 0.164 0.000 1.169 206 N CA -1.155 51.990 53.050 0.158 0.000 0.947 206 N CB 1.137 39.717 38.487 0.155 0.000 1.061 206 N HN 0.372 nan 8.380 nan 0.000 0.466 207 P HA -0.048 nan 4.420 nan 0.000 0.226 207 P C 0.726 178.064 177.300 0.064 0.000 1.153 207 P CA 0.977 64.132 63.100 0.093 0.000 0.777 207 P CB 0.045 31.774 31.700 0.048 0.000 0.794 208 W N 0.942 122.248 121.300 0.010 0.000 2.523 208 W HA 0.193 4.814 4.660 -0.066 0.000 0.278 208 W C 1.083 177.597 176.519 -0.008 0.000 1.236 208 W CA 0.624 57.970 57.345 0.002 0.000 1.306 208 W CB -0.008 29.453 29.460 0.002 0.000 1.101 208 W HN -0.114 nan 8.180 nan 0.000 0.577 209 K N -0.099 120.428 120.400 0.212 0.000 2.616 209 K HA 0.101 4.375 4.320 -0.077 0.000 0.255 209 K C 0.784 177.426 176.600 0.070 0.000 0.995 209 K CA 0.181 56.533 56.287 0.109 0.000 0.860 209 K CB 1.222 33.775 32.500 0.088 0.000 1.264 209 K HN -0.151 nan 8.250 nan 0.000 0.451 210 S N 0.881 116.606 115.700 0.042 0.000 2.474 210 S HA -0.129 4.295 4.470 -0.077 0.000 0.235 210 S C 1.406 176.017 174.600 0.018 0.000 0.997 210 S CA 1.395 59.611 58.200 0.027 0.000 0.949 210 S CB -0.137 63.069 63.200 0.011 0.000 0.766 210 S HN 0.586 nan 8.310 nan 0.000 0.517 211 S N 0.294 116.001 115.700 0.012 0.000 2.603 211 S HA 0.264 4.688 4.470 -0.077 0.000 0.220 211 S C 0.505 175.101 174.600 -0.007 0.000 0.967 211 S CA -0.400 57.800 58.200 -0.001 0.000 0.920 211 S CB -0.132 63.064 63.200 -0.007 0.000 0.773 211 S HN 0.210 nan 8.310 nan 0.000 0.529 212 K N 1.793 122.195 120.400 0.003 0.000 2.123 212 K HA 0.455 4.729 4.320 -0.077 0.000 0.248 212 K C -0.229 176.387 176.600 0.026 0.000 0.969 212 K CA -0.427 55.853 56.287 -0.012 0.000 0.882 212 K CB 1.602 34.083 32.500 -0.033 0.000 1.080 212 K HN 0.167 nan 8.250 nan 0.000 0.441 213 S N 2.074 117.795 115.700 0.036 0.000 2.565 213 S HA 0.178 4.602 4.470 -0.077 0.000 0.276 213 S C -1.574 173.164 174.600 0.230 0.000 1.326 213 S CA -1.296 56.975 58.200 0.119 0.000 1.045 213 S CB 0.467 63.757 63.200 0.151 0.000 0.918 213 S HN 0.307 nan 8.310 nan 0.000 0.505 214 P HA 0.216 nan 4.420 nan 0.000 0.249 214 P C 0.729 178.194 177.300 0.275 0.000 1.229 214 P CA 0.620 63.861 63.100 0.234 0.000 0.788 214 P CB -0.658 31.128 31.700 0.144 0.000 1.072 215 G N -1.025 107.956 108.800 0.301 0.000 2.757 215 G HA2 0.249 4.163 3.960 -0.077 0.000 0.638 215 G HA3 0.249 4.163 3.960 -0.077 0.000 0.638 215 G C -0.327 174.570 174.900 -0.005 0.000 1.344 215 G CA -0.658 44.420 45.100 -0.037 0.000 0.855 215 G HN 0.608 nan 8.290 nan 0.000 0.537 216 G N -2.474 106.313 108.800 -0.023 0.000 2.430 216 G HA2 0.723 4.637 3.960 -0.077 0.000 0.300 216 G HA3 0.723 4.637 3.960 -0.077 0.000 0.300 216 G C 0.879 175.819 174.900 0.066 0.000 1.330 216 G CA 0.804 45.919 45.100 0.025 0.000 0.813 216 G HN 2.060 nan 8.290 nan 0.000 0.487 217 S N -0.744 114.981 115.700 0.042 0.000 2.515 217 S HA 0.018 4.442 4.470 -0.077 0.000 0.231 217 S C 1.380 176.001 174.600 0.036 0.000 0.987 217 S CA 1.181 59.400 58.200 0.031 0.000 0.936 217 S CB 0.056 63.270 63.200 0.024 0.000 0.766 217 S HN 0.572 nan 8.310 nan 0.000 0.528 218 S N 1.850 117.575 115.700 0.041 0.000 3.122 218 S HA 0.351 4.775 4.470 -0.077 0.000 0.249 218 S C 1.517 176.141 174.600 0.041 0.000 1.334 218 S CA -0.028 58.200 58.200 0.047 0.000 1.251 218 S CB -0.170 63.065 63.200 0.057 0.000 1.034 218 S HN 0.676 nan 8.310 nan 0.000 0.478 219 G N 1.881 110.704 108.800 0.038 0.000 2.408 219 G HA2 0.011 3.925 3.960 -0.077 0.000 0.215 219 G HA3 0.011 3.925 3.960 -0.077 0.000 0.215 219 G C 1.393 176.319 174.900 0.043 0.000 1.156 219 G CA 0.438 45.566 45.100 0.047 0.000 0.793 219 G HN 0.588 nan 8.290 nan 0.000 0.535 220 G N 0.981 109.795 108.800 0.023 0.000 2.491 220 G HA2 -0.208 3.706 3.960 -0.077 0.000 0.218 220 G HA3 -0.208 3.706 3.960 -0.077 0.000 0.218 220 G C 1.632 176.535 174.900 0.005 0.000 1.180 220 G CA 1.232 46.334 45.100 0.003 0.000 0.774 220 G HN 0.347 nan 8.290 nan 0.000 0.562 221 E N 0.691 120.895 120.200 0.008 0.000 2.058 221 E HA -0.114 4.190 4.350 -0.077 0.000 0.194 221 E C 2.778 179.398 176.600 0.032 0.000 0.997 221 E CA 1.161 57.565 56.400 0.005 0.000 0.801 221 E CB -1.040 28.666 29.700 0.010 0.000 0.746 221 E HN 0.359 nan 8.360 nan 0.000 0.450 222 G N 1.306 110.137 108.800 0.052 0.000 2.459 222 G HA2 -0.264 3.650 3.960 -0.077 0.000 0.217 222 G HA3 -0.264 3.650 3.960 -0.077 0.000 0.217 222 G C 1.775 176.740 174.900 0.108 0.000 1.183 222 G CA 1.821 46.971 45.100 0.084 0.000 0.776 222 G HN 0.421 nan 8.290 nan 0.000 0.552 223 A N 0.231 123.108 122.820 0.095 0.000 1.877 223 A HA 0.043 4.317 4.320 -0.077 0.000 0.216 223 A C 2.401 180.030 177.584 0.076 0.000 1.186 223 A CA 1.822 53.918 52.037 0.098 0.000 0.620 223 A CB -0.520 18.521 19.000 0.069 0.000 0.822 223 A HN 0.442 nan 8.150 nan 0.000 0.443 224 L N -0.123 121.130 121.223 0.050 0.000 2.005 224 L HA -0.062 4.232 4.340 -0.077 0.000 0.207 224 L C 2.274 179.187 176.870 0.071 0.000 1.072 224 L CA 1.817 56.684 54.840 0.045 0.000 0.744 224 L CB -0.424 41.641 42.059 0.011 0.000 0.895 224 L HN 0.436 nan 8.230 nan 0.000 0.433 225 I N -0.673 119.936 120.570 0.066 0.000 2.315 225 I HA -0.159 3.965 4.170 -0.077 0.000 0.248 225 I C 2.285 178.463 176.117 0.102 0.000 1.117 225 I CA 1.201 62.547 61.300 0.076 0.000 1.404 225 I CB -0.928 37.104 38.000 0.053 0.000 1.071 225 I HN 0.406 nan 8.210 nan 0.000 0.419 226 G N -0.080 108.795 108.800 0.126 0.000 2.598 226 G HA2 -0.147 3.767 3.960 -0.077 0.000 0.215 226 G HA3 -0.147 3.767 3.960 -0.077 0.000 0.215 226 G C 1.475 176.447 174.900 0.121 0.000 1.131 226 G CA 0.848 46.061 45.100 0.189 0.000 0.785 226 G HN 0.508 nan 8.290 nan 0.000 0.539 227 S N -1.661 114.076 115.700 0.061 0.000 2.539 227 S HA 0.433 4.857 4.470 -0.077 0.000 0.221 227 S C 1.580 176.184 174.600 0.006 0.000 0.987 227 S CA 0.813 59.004 58.200 -0.014 0.000 0.929 227 S CB 0.430 63.619 63.200 -0.019 0.000 0.832 227 S HN 1.314 nan 8.310 nan 0.000 0.492 228 G N 0.483 109.320 108.800 0.062 0.000 2.176 228 G HA2 -0.180 3.734 3.960 -0.077 0.000 0.232 228 G HA3 -0.180 3.734 3.960 -0.077 0.000 0.232 228 G C 0.881 175.896 174.900 0.192 0.000 0.986 228 G CA -0.022 45.139 45.100 0.101 0.000 0.643 228 G HN 0.974 nan 8.290 nan 0.000 0.522 229 G N -0.560 108.346 108.800 0.176 0.000 2.712 229 G HA2 0.422 4.336 3.960 -0.077 0.000 0.212 229 G HA3 0.422 4.336 3.960 -0.077 0.000 0.212 229 G C 0.529 175.640 174.900 0.353 0.000 1.142 229 G CA 1.640 46.883 45.100 0.238 0.000 0.789 229 G HN 1.623 nan 8.290 nan 0.000 0.535 230 S N -0.606 115.235 115.700 0.235 0.000 2.543 230 S HA 0.514 4.938 4.470 -0.077 0.000 0.273 230 S C -2.298 172.250 174.600 -0.086 0.000 1.152 230 S CA -0.929 57.309 58.200 0.063 0.000 0.910 230 S CB 2.440 65.709 63.200 0.114 0.000 1.105 230 S HN -0.099 nan 8.310 nan 0.000 0.465 231 P HA 0.224 nan 4.420 nan 0.000 0.227 231 P C -0.120 177.112 177.300 -0.115 0.000 1.161 231 P CA 0.283 63.249 63.100 -0.223 0.000 0.788 231 P CB 0.105 31.570 31.700 -0.390 0.000 0.822 232 L N -1.125 120.030 121.223 -0.114 0.000 2.641 232 L HA 0.744 5.038 4.340 -0.077 0.000 0.261 232 L C -1.024 175.793 176.870 -0.087 0.000 0.926 232 L CA -0.463 54.324 54.840 -0.088 0.000 0.917 232 L CB 1.737 43.736 42.059 -0.101 0.000 1.361 232 L HN -0.012 nan 8.230 nan 0.000 0.417 233 G N 3.229 111.976 108.800 -0.088 0.000 2.733 233 G HA2 0.724 4.638 3.960 -0.077 0.000 0.288 233 G HA3 0.724 4.638 3.960 -0.077 0.000 0.288 233 G C -2.290 172.526 174.900 -0.140 0.000 1.373 233 G CA -0.689 44.340 45.100 -0.119 0.000 0.895 233 G HN 0.433 nan 8.290 nan 0.000 0.479 234 L N 0.444 121.540 121.223 -0.212 0.000 2.385 234 L HA 0.787 5.081 4.340 -0.077 0.000 0.273 234 L C 0.731 177.589 176.870 -0.020 0.000 0.990 234 L CA -0.461 54.223 54.840 -0.260 0.000 0.821 234 L CB 1.386 42.998 42.059 -0.744 0.000 1.279 234 L HN 0.846 nan 8.230 nan 0.000 0.412 235 G N 0.710 109.603 108.800 0.155 0.000 3.108 235 G HA2 0.816 4.730 3.960 -0.077 0.000 0.268 235 G HA3 0.816 4.730 3.960 -0.077 0.000 0.268 235 G C -0.861 174.231 174.900 0.319 0.000 1.361 235 G CA -0.115 45.152 45.100 0.279 0.000 1.047 235 G HN 0.588 nan 8.290 nan 0.000 0.540 236 T N -2.491 112.154 114.554 0.151 0.000 2.865 236 T HA 0.663 4.967 4.350 -0.077 0.000 0.294 236 T C -1.922 172.789 174.700 0.019 0.000 1.119 236 T CA -0.737 61.399 62.100 0.059 0.000 1.007 236 T CB 2.663 71.496 68.868 -0.058 0.000 1.225 236 T HN 0.539 nan 8.240 nan 0.000 0.515 237 D N 0.252 120.651 120.400 -0.003 0.000 2.548 237 D HA 0.265 4.859 4.640 -0.077 0.000 0.214 237 D C -0.444 175.837 176.300 -0.032 0.000 1.345 237 D CA -0.511 53.475 54.000 -0.024 0.000 0.945 237 D CB 1.710 42.496 40.800 -0.024 0.000 1.499 237 D HN 0.634 nan 8.370 nan 0.000 0.579 238 I N 1.861 122.399 120.570 -0.053 0.000 4.323 238 I HA 0.340 4.464 4.170 -0.077 0.000 0.328 238 I C 1.088 177.164 176.117 -0.068 0.000 1.310 238 I CA 0.229 61.501 61.300 -0.047 0.000 1.186 238 I CB 0.779 38.769 38.000 -0.017 0.000 1.130 238 I HN 0.457 nan 8.210 nan 0.000 0.411 239 G N -0.595 108.147 108.800 -0.097 0.000 4.213 239 G HA2 0.392 4.306 3.960 -0.077 0.000 0.274 239 G HA3 0.392 4.306 3.960 -0.077 0.000 0.274 239 G C 0.750 175.618 174.900 -0.054 0.000 1.033 239 G CA 0.397 45.447 45.100 -0.083 0.000 0.822 239 G HN 0.412 nan 8.290 nan 0.000 0.432 240 G N -0.060 108.672 108.800 -0.114 0.000 2.198 240 G HA2 -0.189 3.725 3.960 -0.077 0.000 0.156 240 G HA3 -0.189 3.725 3.960 -0.077 0.000 0.156 240 G C 1.068 175.864 174.900 -0.173 0.000 1.012 240 G CA 0.495 45.385 45.100 -0.350 0.000 0.692 240 G HN 0.380 nan 8.290 nan 0.000 0.492 241 S N -0.233 115.466 115.700 -0.002 0.000 2.555 241 S HA 0.213 4.637 4.470 -0.077 0.000 0.230 241 S C 2.069 176.679 174.600 0.017 0.000 0.978 241 S CA 0.928 59.163 58.200 0.059 0.000 0.934 241 S CB -0.004 63.203 63.200 0.012 0.000 0.766 241 S HN 0.537 nan 8.310 nan 0.000 0.533 242 I N 0.368 120.920 120.570 -0.030 0.000 2.731 242 I HA 0.053 4.177 4.170 -0.077 0.000 0.260 242 I C 2.312 178.388 176.117 -0.068 0.000 1.138 242 I CA 0.559 61.845 61.300 -0.024 0.000 1.461 242 I CB 0.087 38.079 38.000 -0.013 0.000 1.128 242 I HN 0.110 nan 8.210 nan 0.000 0.438 243 R N -0.308 120.095 120.500 -0.162 0.000 2.173 243 R HA 0.031 4.325 4.340 -0.077 0.000 0.208 243 R C 2.072 178.211 176.300 -0.268 0.000 1.035 243 R CA 0.891 56.858 56.100 -0.222 0.000 1.004 243 R CB -0.122 30.003 30.300 -0.291 0.000 0.917 243 R HN 0.123 nan 8.270 nan 0.000 0.462 244 F N 1.605 121.406 119.950 -0.248 0.000 2.051 244 F HA -0.084 4.409 4.527 -0.057 0.000 0.296 244 F C -0.595 174.885 175.800 -0.533 0.000 1.122 244 F CA 0.923 58.608 58.000 -0.524 0.000 1.201 244 F CB -1.491 37.152 39.000 -0.595 0.000 0.978 244 F HN -0.016 nan 8.300 nan 0.000 0.472 245 P HA -0.094 nan 4.420 nan 0.000 0.217 245 P C 1.692 179.021 177.300 0.048 0.000 1.150 245 P CA 1.728 64.819 63.100 -0.016 0.000 0.832 245 P CB -0.090 31.625 31.700 0.024 0.000 0.787 246 S N 0.347 116.057 115.700 0.016 0.000 2.359 246 S HA -0.145 4.279 4.470 -0.077 0.000 0.224 246 S C 2.218 176.849 174.600 0.053 0.000 1.035 246 S CA 1.722 59.941 58.200 0.030 0.000 1.018 246 S CB -0.997 62.200 63.200 -0.005 0.000 0.876 246 S HN 0.223 nan 8.310 nan 0.000 0.448 247 A N 0.700 123.556 122.820 0.060 0.000 1.898 247 A HA 0.087 4.361 4.320 -0.077 0.000 0.214 247 A C 1.803 179.517 177.584 0.217 0.000 1.183 247 A CA 0.945 53.046 52.037 0.108 0.000 0.622 247 A CB -0.687 18.386 19.000 0.121 0.000 0.824 247 A HN 0.424 nan 8.150 nan 0.000 0.444 248 F N -0.149 119.801 119.950 0.000 0.000 2.171 248 F HA -0.147 4.328 4.527 -0.087 0.000 0.300 248 F C 2.299 178.035 175.800 -0.106 0.000 1.090 248 F CA 0.320 58.304 58.000 -0.027 0.000 1.293 248 F CB -1.072 37.961 39.000 0.055 0.000 1.013 248 F HN 0.229 nan 8.300 nan 0.000 0.486 249 C N -0.562 118.838 119.300 0.167 0.000 2.791 249 C HA 0.497 4.911 4.460 -0.077 0.000 0.270 249 C C 1.686 176.746 174.990 0.116 0.000 1.257 249 C CA 0.215 59.320 59.018 0.146 0.000 1.699 249 C CB -1.048 26.829 27.740 0.228 0.000 1.904 249 C HN 0.722 nan 8.230 nan 0.000 0.603 250 G N 2.258 111.044 108.800 -0.025 0.000 2.246 250 G HA2 -0.236 3.678 3.960 -0.077 0.000 0.273 250 G HA3 -0.236 3.678 3.960 -0.077 0.000 0.273 250 G C -0.123 174.838 174.900 0.102 0.000 1.055 250 G CA 0.751 45.830 45.100 -0.035 0.000 0.851 250 G HN 0.756 nan 8.290 nan 0.000 0.500 251 I N -3.271 117.352 120.570 0.089 0.000 3.237 251 I HA 0.867 4.991 4.170 -0.077 0.000 0.308 251 I C 0.832 176.972 176.117 0.038 0.000 1.093 251 I CA -1.427 59.921 61.300 0.081 0.000 1.001 251 I CB 1.698 39.752 38.000 0.090 0.000 1.245 251 I HN 0.309 nan 8.210 nan 0.000 0.485 252 C N 0.516 119.832 119.300 0.026 0.000 2.397 252 C HA 1.019 5.433 4.460 -0.077 0.000 0.343 252 C C 0.313 175.302 174.990 -0.001 0.000 1.188 252 C CA -0.307 58.713 59.018 0.004 0.000 1.992 252 C CB 0.157 27.895 27.740 -0.003 0.000 2.358 252 C HN 1.159 nan 8.230 nan 0.000 0.518 253 G N 0.554 109.345 108.800 -0.014 0.000 2.704 253 G HA2 0.644 4.558 3.960 -0.077 0.000 0.293 253 G HA3 0.644 4.558 3.960 -0.077 0.000 0.293 253 G C -2.179 172.709 174.900 -0.021 0.000 1.421 253 G CA -0.540 44.551 45.100 -0.016 0.000 0.870 253 G HN 0.970 nan 8.290 nan 0.000 0.492 254 L N 0.468 121.683 121.223 -0.013 0.000 2.385 254 L HA 0.697 4.991 4.340 -0.077 0.000 0.273 254 L C -0.248 176.621 176.870 -0.001 0.000 0.990 254 L CA -0.869 53.967 54.840 -0.007 0.000 0.821 254 L CB 1.969 44.030 42.059 0.004 0.000 1.279 254 L HN 0.460 nan 8.230 nan 0.000 0.412 255 K N 7.593 127.990 120.400 -0.006 0.000 2.354 255 K HA 0.469 4.743 4.320 -0.077 0.000 0.257 255 K C -2.555 174.045 176.600 -0.000 0.000 1.062 255 K CA -1.782 54.504 56.287 -0.001 0.000 0.971 255 K CB 1.050 33.543 32.500 -0.011 0.000 1.305 255 K HN 0.386 nan 8.250 nan 0.000 0.449 256 P HA 0.015 nan 4.420 nan 0.000 0.282 256 P C -0.449 176.808 177.300 -0.073 0.000 1.286 256 P CA -0.274 62.816 63.100 -0.017 0.000 0.777 256 P CB 0.220 31.932 31.700 0.020 0.000 1.184 257 T N 0.314 114.764 114.554 -0.174 0.000 2.928 257 T HA 0.128 4.432 4.350 -0.077 0.000 0.305 257 T C 1.942 176.487 174.700 -0.258 0.000 1.035 257 T CA 0.707 62.598 62.100 -0.348 0.000 1.145 257 T CB 0.015 68.379 68.868 -0.840 0.000 0.963 257 T HN 0.548 nan 8.240 nan 0.000 0.545 258 G N 2.898 111.583 108.800 -0.192 0.000 2.649 258 G HA2 -0.324 3.590 3.960 -0.077 0.000 0.220 258 G HA3 -0.324 3.590 3.960 -0.077 0.000 0.220 258 G C 1.288 176.175 174.900 -0.021 0.000 1.189 258 G CA 0.930 45.984 45.100 -0.077 0.000 0.777 258 G HN 0.674 nan 8.290 nan 0.000 0.602 259 N N -0.365 118.322 118.700 -0.022 0.000 2.327 259 N HA 0.107 4.801 4.740 -0.077 0.000 0.231 259 N C 1.699 177.400 175.510 0.318 0.000 1.130 259 N CA -0.129 53.020 53.050 0.166 0.000 0.845 259 N CB 0.043 38.693 38.487 0.272 0.000 1.073 259 N HN 0.185 nan 8.380 nan 0.000 0.496 260 R N -0.396 120.225 120.500 0.200 0.000 2.119 260 R HA 0.266 4.560 4.340 -0.077 0.000 0.222 260 R C -0.131 176.347 176.300 0.298 0.000 1.088 260 R CA 1.092 57.411 56.100 0.365 0.000 0.984 260 R CB 0.090 30.525 30.300 0.225 0.000 0.884 260 R HN 0.217 nan 8.270 nan 0.000 0.447 261 L N -0.710 120.638 121.223 0.207 0.000 2.323 261 L HA 0.413 4.707 4.340 -0.077 0.000 0.265 261 L C -0.253 176.717 176.870 0.168 0.000 1.012 261 L CA -1.166 53.785 54.840 0.184 0.000 0.820 261 L CB 1.882 44.027 42.059 0.144 0.000 1.334 261 L HN -0.139 nan 8.230 nan 0.000 0.427 262 S N 0.188 115.982 115.700 0.157 0.000 2.488 262 S HA 0.133 4.557 4.470 -0.077 0.000 0.278 262 S C 0.618 175.298 174.600 0.133 0.000 1.259 262 S CA -0.280 58.004 58.200 0.141 0.000 1.061 262 S CB 0.338 63.614 63.200 0.125 0.000 0.910 262 S HN 0.597 nan 8.310 nan 0.000 0.491 263 K N 2.914 123.381 120.400 0.111 0.000 2.458 263 K HA 0.113 4.387 4.320 -0.077 0.000 0.194 263 K C 0.520 177.169 176.600 0.082 0.000 1.024 263 K CA -0.087 56.251 56.287 0.084 0.000 1.108 263 K CB 0.220 32.760 32.500 0.068 0.000 0.846 263 K HN 0.484 nan 8.250 nan 0.000 0.518 264 S N 0.002 115.757 115.700 0.092 0.000 2.533 264 S HA 0.259 4.683 4.470 -0.077 0.000 0.282 264 S C 1.169 175.817 174.600 0.079 0.000 1.304 264 S CA 0.656 58.904 58.200 0.080 0.000 1.063 264 S CB 0.459 63.703 63.200 0.074 0.000 0.881 264 S HN 0.635 nan 8.310 nan 0.000 0.493 265 G N 3.242 112.083 108.800 0.068 0.000 2.162 265 G HA2 -0.219 3.695 3.960 -0.077 0.000 0.260 265 G HA3 -0.219 3.695 3.960 -0.077 0.000 0.260 265 G C -0.135 174.807 174.900 0.071 0.000 0.976 265 G CA 0.264 45.405 45.100 0.069 0.000 0.655 265 G HN 0.673 nan 8.290 nan 0.000 0.533 266 L N 0.468 121.719 121.223 0.047 0.000 2.367 266 L HA 0.553 4.847 4.340 -0.077 0.000 0.275 266 L C 0.691 177.585 176.870 0.040 0.000 1.129 266 L CA -0.110 54.707 54.840 -0.038 0.000 0.839 266 L CB 1.266 43.244 42.059 -0.135 0.000 1.133 266 L HN 0.222 nan 8.230 nan 0.000 0.453 267 K N 1.583 121.985 120.400 0.003 0.000 2.234 267 K HA 0.639 4.913 4.320 -0.077 0.000 0.282 267 K C -0.014 176.578 176.600 -0.013 0.000 1.039 267 K CA -0.006 56.323 56.287 0.070 0.000 0.928 267 K CB 0.889 33.416 32.500 0.045 0.000 1.039 267 K HN 0.721 nan 8.250 nan 0.000 0.470 268 G N 1.038 109.806 108.800 -0.053 0.000 2.949 268 G HA2 0.327 4.241 3.960 -0.077 0.000 0.285 268 G HA3 0.327 4.241 3.960 -0.077 0.000 0.285 268 G C -0.084 174.632 174.900 -0.306 0.000 1.395 268 G CA -0.589 44.364 45.100 -0.244 0.000 0.901 268 G HN 0.795 nan 8.290 nan 0.000 0.519 269 C N -0.906 118.244 119.300 -0.251 0.000 3.183 269 C HA 0.554 4.968 4.460 -0.077 0.000 0.285 269 C C 0.621 175.486 174.990 -0.208 0.000 1.313 269 C CA -0.165 58.737 59.018 -0.193 0.000 1.711 269 C CB -1.084 26.598 27.740 -0.096 0.000 2.135 269 C HN 0.808 nan 8.230 nan 0.000 0.651 270 V N -0.783 118.941 119.914 -0.317 0.000 2.531 270 V HA 0.732 4.806 4.120 -0.077 0.000 0.301 270 V C -1.547 174.322 176.094 -0.376 0.000 1.034 270 V CA -0.563 61.609 62.300 -0.213 0.000 0.865 270 V CB 1.003 32.792 31.823 -0.057 0.000 0.995 270 V HN 0.310 nan 8.190 nan 0.000 0.424 271 Y N 3.529 123.848 120.300 0.031 0.000 2.420 271 Y HA 0.780 5.285 4.550 -0.076 0.000 0.334 271 Y C 1.355 177.270 175.900 0.026 0.000 1.094 271 Y CA 0.238 58.354 58.100 0.026 0.000 1.126 271 Y CB 2.166 40.639 38.460 0.023 0.000 1.217 271 Y HN 1.198 nan 8.280 nan 0.000 0.462 272 G N 1.263 110.167 108.800 0.173 0.000 2.159 272 G HA2 -0.256 3.658 3.960 -0.077 0.000 0.256 272 G HA3 -0.256 3.658 3.960 -0.077 0.000 0.256 272 G C 0.029 174.974 174.900 0.074 0.000 0.977 272 G CA -0.250 44.919 45.100 0.115 0.000 0.652 272 G HN 0.522 nan 8.290 nan 0.000 0.531 273 Q N 1.332 121.159 119.800 0.045 0.000 2.361 273 Q HA 0.444 4.738 4.340 -0.077 0.000 0.250 273 Q C 1.320 177.332 176.000 0.020 0.000 1.023 273 Q CA 0.838 56.650 55.803 0.015 0.000 0.915 273 Q CB 0.605 29.322 28.738 -0.035 0.000 1.238 273 Q HN 0.578 nan 8.270 nan 0.000 0.451 274 T N -0.260 114.315 114.554 0.036 0.000 3.044 274 T HA 0.311 4.615 4.350 -0.077 0.000 0.260 274 T C 1.304 176.024 174.700 0.033 0.000 1.019 274 T CA 0.389 62.514 62.100 0.041 0.000 0.921 274 T CB 0.483 69.386 68.868 0.058 0.000 1.053 274 T HN 0.370 nan 8.240 nan 0.000 0.533 275 A N 1.712 124.546 122.820 0.023 0.000 1.855 275 A HA 0.363 4.637 4.320 -0.077 0.000 0.215 275 A C 1.075 178.657 177.584 -0.004 0.000 1.191 275 A CA 0.883 52.929 52.037 0.016 0.000 0.613 275 A CB -0.537 18.468 19.000 0.009 0.000 0.829 275 A HN 0.464 nan 8.150 nan 0.000 0.442 276 V N 1.983 121.885 119.914 -0.021 0.000 2.328 276 V HA 0.223 4.297 4.120 -0.077 0.000 0.278 276 V C -0.552 175.532 176.094 -0.016 0.000 1.021 276 V CA -0.870 61.414 62.300 -0.027 0.000 0.838 276 V CB 1.135 32.932 31.823 -0.044 0.000 0.999 276 V HN 0.441 nan 8.190 nan 0.000 0.447 277 Q N 2.998 122.792 119.800 -0.009 0.000 2.311 277 Q HA 0.253 4.547 4.340 -0.077 0.000 0.272 277 Q C -0.341 175.655 176.000 -0.007 0.000 1.012 277 Q CA -0.407 55.395 55.803 -0.002 0.000 0.891 277 Q CB 1.871 30.604 28.738 -0.007 0.000 1.201 277 Q HN 0.669 nan 8.270 nan 0.000 0.391 278 L N 1.883 123.106 121.223 -0.000 0.000 2.367 278 L HA 0.217 4.511 4.340 -0.077 0.000 0.275 278 L C -0.232 176.639 176.870 0.002 0.000 1.129 278 L CA 0.547 55.384 54.840 -0.004 0.000 0.839 278 L CB 1.253 43.307 42.059 -0.009 0.000 1.133 278 L HN 0.477 nan 8.230 nan 0.000 0.453 279 S N 4.862 120.562 115.700 0.000 0.000 2.532 279 S HA 0.824 5.248 4.470 -0.077 0.000 0.301 279 S C -0.736 173.886 174.600 0.036 0.000 1.083 279 S CA -0.818 57.390 58.200 0.014 0.000 1.025 279 S CB 0.938 64.138 63.200 -0.001 0.000 1.056 279 S HN 0.702 nan 8.310 nan 0.000 0.494 280 L N 1.783 123.052 121.223 0.076 0.000 2.319 280 L HA 1.141 5.435 4.340 -0.077 0.000 0.267 280 L C 0.132 177.080 176.870 0.130 0.000 1.011 280 L CA -0.596 54.333 54.840 0.148 0.000 0.818 280 L CB 1.647 43.860 42.059 0.257 0.000 1.316 280 L HN 0.780 nan 8.230 nan 0.000 0.432 281 G N -0.103 108.780 108.800 0.139 0.000 2.441 281 G HA2 0.580 4.494 3.960 -0.077 0.000 0.294 281 G HA3 0.580 4.494 3.960 -0.077 0.000 0.294 281 G C -3.391 171.524 174.900 0.025 0.000 1.393 281 G CA -0.821 44.318 45.100 0.065 0.000 0.796 281 G HN 0.542 nan 8.290 nan 0.000 0.494 282 P HA 0.597 nan 4.420 nan 0.000 0.286 282 P C -0.853 176.430 177.300 -0.027 0.000 1.261 282 P CA -0.384 62.691 63.100 -0.043 0.000 0.821 282 P CB 1.489 33.152 31.700 -0.062 0.000 1.013 283 M N 1.594 121.174 119.600 -0.033 0.000 2.457 283 M HA 0.773 5.207 4.480 -0.077 0.000 0.300 283 M C -0.589 175.699 176.300 -0.020 0.000 1.141 283 M CA -0.395 54.895 55.300 -0.016 0.000 0.901 283 M CB 2.773 35.371 32.600 -0.003 0.000 1.687 283 M HN 0.492 nan 8.290 nan 0.000 0.449 284 A N 1.578 124.396 122.820 -0.004 0.000 2.544 284 A HA 0.575 4.849 4.320 -0.077 0.000 0.291 284 A C -0.405 177.194 177.584 0.024 0.000 1.055 284 A CA -0.744 51.293 52.037 -0.000 0.000 0.651 284 A CB 1.199 20.187 19.000 -0.020 0.000 1.296 284 A HN 0.890 nan 8.150 nan 0.000 0.431 285 R N -0.270 120.251 120.500 0.035 0.000 2.148 285 R HA 0.059 4.353 4.340 -0.077 0.000 0.223 285 R C -0.343 175.987 176.300 0.050 0.000 1.088 285 R CA 1.935 58.069 56.100 0.057 0.000 0.985 285 R CB -0.034 30.307 30.300 0.069 0.000 0.880 285 R HN 0.870 nan 8.270 nan 0.000 0.451 286 D N -2.843 117.580 120.400 0.038 0.000 2.531 286 D HA 0.061 4.655 4.640 -0.077 0.000 0.244 286 D C 0.297 176.618 176.300 0.036 0.000 1.090 286 D CA -0.769 53.256 54.000 0.040 0.000 0.989 286 D CB 1.199 42.028 40.800 0.047 0.000 1.433 286 D HN -0.220 nan 8.370 nan 0.000 0.492 287 V N 0.068 120.013 119.914 0.051 0.000 2.667 287 V HA -0.122 3.952 4.120 -0.077 0.000 0.252 287 V C 1.933 178.080 176.094 0.088 0.000 1.065 287 V CA 2.019 64.358 62.300 0.064 0.000 1.083 287 V CB -0.501 31.376 31.823 0.090 0.000 0.692 287 V HN 0.683 nan 8.190 nan 0.000 0.468 288 E N 0.550 120.825 120.200 0.124 0.000 2.130 288 E HA -0.192 4.112 4.350 -0.077 0.000 0.196 288 E C 2.262 178.871 176.600 0.016 0.000 0.998 288 E CA 2.062 58.545 56.400 0.138 0.000 0.806 288 E CB -0.420 29.358 29.700 0.129 0.000 0.738 288 E HN 0.671 nan 8.360 nan 0.000 0.459 289 S N -0.281 115.418 115.700 -0.002 0.000 2.383 289 S HA -0.064 4.360 4.470 -0.077 0.000 0.227 289 S C 1.849 176.396 174.600 -0.088 0.000 1.026 289 S CA 0.959 59.133 58.200 -0.043 0.000 0.981 289 S CB -0.225 62.959 63.200 -0.027 0.000 0.818 289 S HN 0.271 nan 8.310 nan 0.000 0.472 290 L N 1.095 122.272 121.223 -0.076 0.000 2.046 290 L HA -0.121 4.173 4.340 -0.077 0.000 0.208 290 L C 2.803 179.554 176.870 -0.199 0.000 1.077 290 L CA 1.241 56.020 54.840 -0.101 0.000 0.747 290 L CB -0.788 41.238 42.059 -0.055 0.000 0.896 290 L HN 0.320 nan 8.230 nan 0.000 0.432 291 A N 0.113 122.761 122.820 -0.287 0.000 1.898 291 A HA -0.198 4.076 4.320 -0.077 0.000 0.216 291 A C 2.206 179.386 177.584 -0.673 0.000 1.181 291 A CA 1.443 53.129 52.037 -0.586 0.000 0.620 291 A CB -0.619 17.821 19.000 -0.933 0.000 0.819 291 A HN 0.312 nan 8.150 nan 0.000 0.442 292 L N -0.384 120.616 121.223 -0.371 0.000 2.083 292 L HA -0.140 4.154 4.340 -0.077 0.000 0.209 292 L C 2.507 179.203 176.870 -0.289 0.000 1.083 292 L CA 2.061 56.725 54.840 -0.293 0.000 0.752 292 L CB -1.118 40.855 42.059 -0.143 0.000 0.899 292 L HN 0.511 nan 8.230 nan 0.000 0.433 293 C N -0.908 118.246 119.300 -0.243 0.000 2.453 293 C HA -0.126 4.288 4.460 -0.077 0.000 0.277 293 C C 2.783 177.644 174.990 -0.215 0.000 1.262 293 C CA 0.722 59.626 59.018 -0.190 0.000 1.718 293 C CB -0.999 26.654 27.740 -0.145 0.000 2.031 293 C HN 0.588 nan 8.230 nan 0.000 0.480 294 L N 0.728 121.786 121.223 -0.275 0.000 2.012 294 L HA -0.197 4.097 4.340 -0.077 0.000 0.210 294 L C 2.734 179.415 176.870 -0.315 0.000 1.073 294 L CA 2.301 57.002 54.840 -0.231 0.000 0.748 294 L CB -0.919 41.046 42.059 -0.156 0.000 0.891 294 L HN 0.464 nan 8.230 nan 0.000 0.431 295 K N -0.057 119.918 120.400 -0.709 0.000 2.074 295 K HA -0.223 4.051 4.320 -0.077 0.000 0.209 295 K C 2.010 178.498 176.600 -0.186 0.000 1.048 295 K CA 1.594 57.575 56.287 -0.510 0.000 0.926 295 K CB -0.050 32.083 32.500 -0.612 0.000 0.713 295 K HN 0.317 nan 8.250 nan 0.000 0.444 296 A N 0.455 123.163 122.820 -0.188 0.000 1.897 296 A HA -0.072 4.202 4.320 -0.077 0.000 0.215 296 A C 1.919 179.447 177.584 -0.094 0.000 1.181 296 A CA 0.941 52.914 52.037 -0.108 0.000 0.620 296 A CB -0.351 18.587 19.000 -0.102 0.000 0.821 296 A HN 0.261 nan 8.150 nan 0.000 0.443 297 L N -0.551 120.609 121.223 -0.105 0.000 2.156 297 L HA 0.113 4.407 4.340 -0.077 0.000 0.208 297 L C 0.808 177.593 176.870 -0.142 0.000 1.095 297 L CA 1.050 55.833 54.840 -0.095 0.000 0.770 297 L CB -0.592 41.430 42.059 -0.062 0.000 0.914 297 L HN 0.289 nan 8.230 nan 0.000 0.439 298 L N 0.621 121.790 121.223 -0.090 0.000 2.389 298 L HA 0.234 4.528 4.340 -0.077 0.000 0.265 298 L C -0.280 176.462 176.870 -0.214 0.000 1.167 298 L CA -0.502 54.289 54.840 -0.082 0.000 1.045 298 L CB -0.327 41.885 42.059 0.256 0.000 1.351 298 L HN 0.290 nan 8.230 nan 0.000 0.419 299 C N -1.683 117.199 119.300 -0.697 0.000 3.320 299 C HA 0.413 4.827 4.460 -0.077 0.000 0.335 299 C C 1.461 176.107 174.990 -0.574 0.000 1.430 299 C CA -0.813 57.955 59.018 -0.417 0.000 1.271 299 C CB 1.869 29.509 27.740 -0.167 0.000 1.609 299 C HN 0.506 nan 8.230 nan 0.000 0.457 300 E N 0.385 120.467 120.200 -0.197 0.000 2.130 300 E HA -0.178 4.126 4.350 -0.077 0.000 0.196 300 E C 1.820 178.330 176.600 -0.150 0.000 0.998 300 E CA 1.829 58.176 56.400 -0.088 0.000 0.806 300 E CB -0.483 29.164 29.700 -0.088 0.000 0.738 300 E HN 0.749 nan 8.360 nan 0.000 0.459 301 H N 0.099 119.093 119.070 -0.126 0.000 2.289 301 H HA -0.152 4.358 4.556 -0.077 0.000 0.296 301 H C 2.252 177.504 175.328 -0.127 0.000 1.091 301 H CA 1.531 57.518 56.048 -0.102 0.000 1.274 301 H CB -0.572 29.131 29.762 -0.098 0.000 1.364 301 H HN 0.136 nan 8.280 nan 0.000 0.490 302 L N 0.482 121.626 121.223 -0.133 0.000 2.027 302 L HA -0.122 4.172 4.340 -0.077 0.000 0.206 302 L C 2.071 178.918 176.870 -0.039 0.000 1.074 302 L CA 1.441 56.187 54.840 -0.158 0.000 0.745 302 L CB -0.892 40.984 42.059 -0.305 0.000 0.898 302 L HN -0.044 nan 8.230 nan 0.000 0.433 303 F N -0.327 119.657 119.950 0.057 0.000 2.216 303 F HA -0.108 4.372 4.527 -0.079 0.000 0.300 303 F C 2.470 178.289 175.800 0.032 0.000 1.085 303 F CA 1.350 59.373 58.000 0.039 0.000 1.326 303 F CB -1.927 37.086 39.000 0.021 0.000 1.027 303 F HN 0.063 nan 8.300 nan 0.000 0.497 304 T N 0.551 115.211 114.554 0.176 0.000 2.732 304 T HA -0.079 4.225 4.350 -0.077 0.000 0.261 304 T C 2.294 177.049 174.700 0.092 0.000 1.040 304 T CA 1.010 63.176 62.100 0.111 0.000 1.145 304 T CB -0.511 68.403 68.868 0.077 0.000 0.866 304 T HN 0.155 nan 8.240 nan 0.000 0.427 305 L N 0.368 121.641 121.223 0.083 0.000 2.201 305 L HA 0.013 4.307 4.340 -0.077 0.000 0.212 305 L C 0.788 177.701 176.870 0.072 0.000 1.105 305 L CA 0.871 55.750 54.840 0.066 0.000 0.775 305 L CB 0.040 42.129 42.059 0.051 0.000 0.913 305 L HN 0.201 nan 8.230 nan 0.000 0.440 306 D N -1.368 119.091 120.400 0.098 0.000 2.405 306 D HA 0.185 4.779 4.640 -0.077 0.000 0.264 306 D C -2.000 174.381 176.300 0.135 0.000 1.240 306 D CA -1.829 52.236 54.000 0.107 0.000 0.893 306 D CB 1.190 42.056 40.800 0.110 0.000 1.198 306 D HN -0.169 nan 8.370 nan 0.000 0.514 307 P HA -0.100 nan 4.420 nan 0.000 0.226 307 P C 1.342 178.686 177.300 0.074 0.000 1.146 307 P CA 1.094 64.250 63.100 0.092 0.000 0.773 307 P CB 0.107 31.843 31.700 0.060 0.000 0.772 308 T N -4.476 110.128 114.554 0.083 0.000 3.023 308 T HA 0.013 4.317 4.350 -0.077 0.000 0.266 308 T C 0.791 175.548 174.700 0.096 0.000 1.093 308 T CA 0.222 62.367 62.100 0.076 0.000 1.129 308 T CB -0.901 68.015 68.868 0.079 0.000 0.899 308 T HN -0.176 nan 8.240 nan 0.000 0.491 309 V N 4.763 124.759 119.914 0.136 0.000 2.555 309 V HA 0.287 4.361 4.120 -0.077 0.000 0.286 309 V C -2.019 174.119 176.094 0.074 0.000 1.044 309 V CA -2.079 60.326 62.300 0.175 0.000 1.026 309 V CB 0.789 32.779 31.823 0.280 0.000 0.981 309 V HN 0.353 nan 8.190 nan 0.000 0.480 310 P HA 0.140 nan 4.420 nan 0.000 0.267 310 P C -2.502 174.543 177.300 -0.426 0.000 1.209 310 P CA -1.513 61.451 63.100 -0.227 0.000 0.763 310 P CB 0.038 31.510 31.700 -0.380 0.000 0.816 311 P HA 0.164 nan 4.420 nan 0.000 0.237 311 P C -0.502 176.193 177.300 -1.008 0.000 1.788 311 P CA 0.187 62.344 63.100 -1.571 0.000 1.061 311 P CB -0.056 31.044 31.700 -0.998 0.000 1.967 312 L N 4.690 125.537 121.223 -0.628 0.000 2.264 312 L HA 0.379 4.673 4.340 -0.077 0.000 0.287 312 L C -2.008 174.924 176.870 0.104 0.000 1.039 312 L CA -2.287 52.441 54.840 -0.187 0.000 0.829 312 L CB 1.246 43.257 42.059 -0.081 0.000 1.211 312 L HN 0.045 nan 8.230 nan 0.000 0.427 313 P HA 0.037 nan 4.420 nan 0.000 0.274 313 P C -0.665 176.781 177.300 0.243 0.000 1.246 313 P CA -0.434 62.840 63.100 0.291 0.000 0.795 313 P CB 0.504 32.335 31.700 0.218 0.000 1.006 314 F N 2.018 122.044 119.950 0.126 0.000 2.506 314 F HA 0.151 4.629 4.527 -0.082 0.000 0.371 314 F C 0.766 176.611 175.800 0.075 0.000 1.078 314 F CA -0.133 57.917 58.000 0.083 0.000 1.195 314 F CB 0.292 39.321 39.000 0.049 0.000 1.099 314 F HN 0.077 nan 8.300 nan 0.000 0.548 315 R N 5.654 125.908 120.500 -0.411 0.000 2.408 315 R HA 0.058 4.352 4.340 -0.077 0.000 0.308 315 R C 0.902 176.993 176.300 -0.349 0.000 1.210 315 R CA -0.279 55.671 56.100 -0.251 0.000 1.115 315 R CB 0.707 30.911 30.300 -0.161 0.000 1.127 315 R HN 0.753 nan 8.270 nan 0.000 0.523 316 E N 2.888 123.042 120.200 -0.077 0.000 2.049 316 E HA -0.273 4.031 4.350 -0.077 0.000 0.198 316 E C 1.832 178.484 176.600 0.087 0.000 1.007 316 E CA 2.044 58.526 56.400 0.138 0.000 0.809 316 E CB 0.248 30.092 29.700 0.240 0.000 0.749 316 E HN 0.590 nan 8.360 nan 0.000 0.450 317 E N 0.368 120.588 120.200 0.034 0.000 2.171 317 E HA -0.183 4.121 4.350 -0.077 0.000 0.197 317 E C 2.109 178.711 176.600 0.004 0.000 0.997 317 E CA 1.584 57.997 56.400 0.021 0.000 0.810 317 E CB -0.572 29.134 29.700 0.011 0.000 0.738 317 E HN 0.306 nan 8.360 nan 0.000 0.467 318 V N 0.585 120.487 119.914 -0.020 0.000 2.379 318 V HA -0.216 3.858 4.120 -0.077 0.000 0.245 318 V C 2.361 178.476 176.094 0.034 0.000 1.044 318 V CA 1.689 63.979 62.300 -0.017 0.000 1.036 318 V CB -0.957 30.831 31.823 -0.058 0.000 0.664 318 V HN 0.238 nan 8.190 nan 0.000 0.453 319 Y N 1.902 122.140 120.300 -0.103 0.000 2.181 319 Y HA -0.158 4.341 4.550 -0.085 0.000 0.288 319 Y C 2.525 178.456 175.900 0.052 0.000 1.146 319 Y CA 1.539 59.635 58.100 -0.007 0.000 1.164 319 Y CB -0.178 38.323 38.460 0.067 0.000 0.982 319 Y HN 0.110 nan 8.280 nan 0.000 0.515 320 R N 0.122 120.554 120.500 -0.115 0.000 2.275 320 R HA 0.054 4.348 4.340 -0.077 0.000 0.199 320 R C 1.151 177.386 176.300 -0.108 0.000 0.989 320 R CA 0.579 56.563 56.100 -0.193 0.000 1.016 320 R CB -0.485 29.787 30.300 -0.047 0.000 0.918 320 R HN 0.193 nan 8.270 nan 0.000 0.473 321 S N 1.618 117.284 115.700 -0.056 0.000 2.558 321 S HA -0.030 4.394 4.470 -0.077 0.000 0.291 321 S C 0.795 175.385 174.600 -0.016 0.000 1.306 321 S CA -0.058 58.129 58.200 -0.022 0.000 1.056 321 S CB 0.470 63.669 63.200 -0.001 0.000 0.836 321 S HN 0.382 nan 8.310 nan 0.000 0.504 322 S N 4.253 119.954 115.700 0.002 0.000 2.711 322 S HA 0.269 4.693 4.470 -0.077 0.000 0.247 322 S C 0.121 174.746 174.600 0.042 0.000 1.079 322 S CA -0.934 57.281 58.200 0.024 0.000 1.050 322 S CB -0.157 63.047 63.200 0.007 0.000 0.885 322 S HN 0.846 nan 8.310 nan 0.000 0.498 323 R N 0.308 120.836 120.500 0.047 0.000 2.528 323 R HA 0.620 4.914 4.340 -0.077 0.000 0.271 323 R C -3.081 173.281 176.300 0.103 0.000 1.056 323 R CA -1.630 54.497 56.100 0.046 0.000 1.117 323 R CB -0.766 29.550 30.300 0.026 0.000 1.085 323 R HN -0.036 nan 8.270 nan 0.000 0.530 324 P HA 0.041 nan 4.420 nan 0.000 0.269 324 P C -0.884 176.538 177.300 0.202 0.000 1.217 324 P CA -0.009 63.186 63.100 0.157 0.000 0.783 324 P CB 0.445 32.161 31.700 0.027 0.000 0.898 325 L N 1.731 123.158 121.223 0.340 0.000 2.365 325 L HA 0.475 4.769 4.340 -0.077 0.000 0.273 325 L C 0.531 177.388 176.870 -0.021 0.000 1.000 325 L CA -0.813 54.037 54.840 0.017 0.000 0.819 325 L CB 1.928 43.840 42.059 -0.245 0.000 1.284 325 L HN 0.192 nan 8.230 nan 0.000 0.418 326 R N 2.130 122.575 120.500 -0.092 0.000 2.242 326 R HA 0.366 4.660 4.340 -0.077 0.000 0.334 326 R C -0.982 175.166 176.300 -0.252 0.000 1.071 326 R CA -0.348 55.675 56.100 -0.127 0.000 0.922 326 R CB 0.896 31.120 30.300 -0.126 0.000 1.023 326 R HN 0.295 nan 8.270 nan 0.000 0.458 327 V N 3.374 123.158 119.914 -0.217 0.000 2.313 327 V HA 0.269 4.343 4.120 -0.077 0.000 0.278 327 V C 0.885 176.881 176.094 -0.164 0.000 1.017 327 V CA -0.924 61.195 62.300 -0.301 0.000 0.823 327 V CB 1.359 33.038 31.823 -0.241 0.000 1.010 327 V HN 0.921 nan 8.190 nan 0.000 0.443 328 G N 4.327 112.926 108.800 -0.336 0.000 2.432 328 G HA2 0.357 4.271 3.960 -0.077 0.000 0.239 328 G HA3 0.357 4.271 3.960 -0.077 0.000 0.239 328 G C -0.786 174.157 174.900 0.072 0.000 1.291 328 G CA 0.193 45.157 45.100 -0.225 0.000 0.863 328 G HN 0.983 nan 8.290 nan 0.000 0.560 329 Y N 0.502 120.876 120.300 0.123 0.000 2.544 329 Y HA 0.680 5.170 4.550 -0.101 0.000 0.342 329 Y C -1.348 174.739 175.900 0.312 0.000 1.062 329 Y CA -2.227 55.963 58.100 0.151 0.000 1.023 329 Y CB 1.281 39.785 38.460 0.072 0.000 1.308 329 Y HN 0.805 nan 8.280 nan 0.000 0.457 330 Y N -0.190 120.246 120.300 0.226 0.000 2.524 330 Y HA 0.643 5.200 4.550 0.012 0.000 0.347 330 Y C -0.061 176.017 175.900 0.296 0.000 1.005 330 Y CA -1.509 56.699 58.100 0.179 0.000 1.025 330 Y CB 1.892 40.440 38.460 0.147 0.000 1.275 330 Y HN 0.738 nan 8.280 nan 0.000 0.460 331 E N 0.578 121.000 120.200 0.370 0.000 2.340 331 E HA 0.095 4.399 4.350 -0.077 0.000 0.194 331 E C -0.107 176.670 176.600 0.294 0.000 0.996 331 E CA 0.887 57.442 56.400 0.259 0.000 0.869 331 E CB 0.655 30.503 29.700 0.245 0.000 0.835 331 E HN 0.640 nan 8.360 nan 0.000 0.493 332 T N 0.469 115.303 114.554 0.467 0.000 2.942 332 T HA 0.079 4.383 4.350 -0.077 0.000 0.327 332 T C -1.412 173.664 174.700 0.627 0.000 1.360 332 T CA -0.784 61.662 62.100 0.577 0.000 1.055 332 T CB 1.524 70.672 68.868 0.467 0.000 1.261 332 T HN 0.010 nan 8.240 nan 0.000 0.485 333 D N 2.108 122.862 120.400 0.589 0.000 2.342 333 D HA 0.125 4.719 4.640 -0.077 0.000 0.221 333 D C 0.528 176.856 176.300 0.047 0.000 1.101 333 D CA -0.256 53.880 54.000 0.227 0.000 0.837 333 D CB -0.972 39.816 40.800 -0.020 0.000 0.938 333 D HN 0.813 nan 8.370 nan 0.000 0.508 334 N N -1.175 117.496 118.700 -0.048 0.000 2.678 334 N HA -0.332 4.362 4.740 -0.077 0.000 0.249 334 N C -0.355 174.976 175.510 -0.297 0.000 1.119 334 N CA 0.943 53.656 53.050 -0.562 0.000 0.718 334 N CB -1.265 36.965 38.487 -0.428 0.000 1.060 334 N HN 0.433 nan 8.380 nan 0.000 0.552 335 Y N -0.869 119.428 120.300 -0.004 0.000 3.011 335 Y HA 0.198 4.701 4.550 -0.079 0.000 0.231 335 Y C 0.458 176.658 175.900 0.500 0.000 0.983 335 Y CA 0.426 58.686 58.100 0.267 0.000 1.429 335 Y CB 0.981 39.488 38.460 0.077 0.000 1.491 335 Y HN -0.063 nan 8.280 nan 0.000 0.444 336 T N 3.077 117.926 114.554 0.492 0.000 2.801 336 T HA 0.252 4.556 4.350 -0.077 0.000 0.306 336 T C -0.558 174.508 174.700 0.610 0.000 1.020 336 T CA -0.481 61.912 62.100 0.488 0.000 0.948 336 T CB 0.469 69.579 68.868 0.403 0.000 0.962 336 T HN 0.220 nan 8.240 nan 0.000 0.465 337 M N 7.678 127.514 119.600 0.394 0.000 2.338 337 M HA 0.143 4.577 4.480 -0.077 0.000 0.360 337 M C -2.154 174.366 176.300 0.367 0.000 1.547 337 M CA -1.040 54.285 55.300 0.042 0.000 1.001 337 M CB 0.175 32.337 32.600 -0.731 0.000 2.008 337 M HN 0.176 nan 8.290 nan 0.000 0.464 338 P HA 0.107 nan 4.420 nan 0.000 0.272 338 P C -0.991 176.522 177.300 0.356 0.000 1.223 338 P CA -0.257 63.034 63.100 0.319 0.000 0.784 338 P CB 0.332 32.147 31.700 0.191 0.000 0.923 339 S N 2.118 117.966 115.700 0.245 0.000 2.572 339 S HA 0.141 4.565 4.470 -0.077 0.000 0.279 339 S C -1.622 173.049 174.600 0.120 0.000 1.341 339 S CA -0.749 57.543 58.200 0.154 0.000 1.043 339 S CB -0.269 62.933 63.200 0.004 0.000 0.887 339 S HN 0.265 nan 8.310 nan 0.000 0.516 340 P HA -0.184 nan 4.420 nan 0.000 0.216 340 P C 1.656 178.973 177.300 0.029 0.000 1.154 340 P CA 2.231 65.371 63.100 0.067 0.000 0.865 340 P CB -0.281 31.451 31.700 0.053 0.000 0.789 341 A N -1.346 121.477 122.820 0.005 0.000 1.908 341 A HA -0.238 4.036 4.320 -0.077 0.000 0.218 341 A C 2.231 179.800 177.584 -0.024 0.000 1.181 341 A CA 2.191 54.216 52.037 -0.020 0.000 0.627 341 A CB -1.452 17.520 19.000 -0.046 0.000 0.818 341 A HN 0.131 nan 8.150 nan 0.000 0.445 342 M N -1.713 117.876 119.600 -0.017 0.000 2.067 342 M HA -0.155 4.279 4.480 -0.077 0.000 0.260 342 M C 2.381 178.664 176.300 -0.027 0.000 1.069 342 M CA 2.094 57.371 55.300 -0.038 0.000 1.117 342 M CB -0.272 32.300 32.600 -0.047 0.000 1.334 342 M HN 0.454 nan 8.290 nan 0.000 0.407 343 R N 0.461 120.969 120.500 0.013 0.000 2.096 343 R HA -0.174 4.120 4.340 -0.077 0.000 0.240 343 R C 2.177 178.484 176.300 0.011 0.000 1.139 343 R CA 1.978 58.096 56.100 0.031 0.000 0.952 343 R CB -0.391 29.946 30.300 0.062 0.000 0.854 343 R HN 0.229 nan 8.270 nan 0.000 0.436 344 R N -0.408 120.095 120.500 0.005 0.000 2.073 344 R HA -0.111 4.183 4.340 -0.077 0.000 0.234 344 R C 2.113 178.400 176.300 -0.022 0.000 1.134 344 R CA 1.642 57.739 56.100 -0.006 0.000 0.952 344 R CB -0.446 29.850 30.300 -0.006 0.000 0.850 344 R HN 0.363 nan 8.270 nan 0.000 0.433 345 A N 1.560 124.360 122.820 -0.032 0.000 1.908 345 A HA -0.177 4.097 4.320 -0.077 0.000 0.218 345 A C 2.119 179.671 177.584 -0.053 0.000 1.181 345 A CA 1.248 53.257 52.037 -0.047 0.000 0.627 345 A CB -0.706 18.259 19.000 -0.059 0.000 0.818 345 A HN 0.403 nan 8.150 nan 0.000 0.445 346 L N -0.002 121.191 121.223 -0.051 0.000 1.988 346 L HA -0.115 4.179 4.340 -0.077 0.000 0.207 346 L C 2.378 179.215 176.870 -0.054 0.000 1.071 346 L CA 2.084 56.894 54.840 -0.051 0.000 0.744 346 L CB -0.965 41.072 42.059 -0.037 0.000 0.893 346 L HN 0.466 nan 8.230 nan 0.000 0.433 347 I N 0.017 120.564 120.570 -0.039 0.000 2.264 347 I HA -0.320 3.804 4.170 -0.077 0.000 0.248 347 I C 2.488 178.564 176.117 -0.068 0.000 1.111 347 I CA 1.244 62.508 61.300 -0.059 0.000 1.382 347 I CB -0.181 37.807 38.000 -0.021 0.000 1.060 347 I HN 0.378 nan 8.210 nan 0.000 0.418 348 E N 0.213 120.384 120.200 -0.048 0.000 2.072 348 E HA -0.211 4.093 4.350 -0.077 0.000 0.191 348 E C 2.222 178.795 176.600 -0.046 0.000 0.985 348 E CA 2.005 58.381 56.400 -0.041 0.000 0.801 348 E CB -0.116 29.565 29.700 -0.031 0.000 0.750 348 E HN 0.590 nan 8.360 nan 0.000 0.452 349 T N -0.007 114.516 114.554 -0.053 0.000 2.915 349 T HA -0.116 4.188 4.350 -0.077 0.000 0.269 349 T C 1.839 176.512 174.700 -0.044 0.000 1.071 349 T CA 0.911 62.982 62.100 -0.049 0.000 1.132 349 T CB 0.042 68.870 68.868 -0.068 0.000 0.878 349 T HN -0.073 nan 8.240 nan 0.000 0.479 350 K N 1.328 121.675 120.400 -0.088 0.000 2.002 350 K HA -0.173 4.101 4.320 -0.077 0.000 0.209 350 K C 2.414 178.951 176.600 -0.104 0.000 1.048 350 K CA 1.834 58.030 56.287 -0.153 0.000 0.930 350 K CB -0.463 31.824 32.500 -0.355 0.000 0.714 350 K HN 0.530 nan 8.250 nan 0.000 0.438 351 Q N -0.172 119.574 119.800 -0.090 0.000 2.124 351 Q HA -0.087 4.207 4.340 -0.077 0.000 0.202 351 Q C 2.291 178.279 176.000 -0.020 0.000 0.977 351 Q CA 1.221 56.991 55.803 -0.055 0.000 0.850 351 Q CB -0.026 28.685 28.738 -0.045 0.000 0.901 351 Q HN 0.210 nan 8.270 nan 0.000 0.429 352 R N 0.379 120.872 120.500 -0.011 0.000 2.075 352 R HA -0.073 4.221 4.340 -0.077 0.000 0.232 352 R C 2.266 178.596 176.300 0.051 0.000 1.126 352 R CA 0.950 57.057 56.100 0.012 0.000 0.963 352 R CB -0.578 29.725 30.300 0.006 0.000 0.858 352 R HN 0.319 nan 8.270 nan 0.000 0.435 353 L N 0.742 122.010 121.223 0.075 0.000 2.046 353 L HA -0.175 4.119 4.340 -0.077 0.000 0.208 353 L C 2.382 179.355 176.870 0.172 0.000 1.077 353 L CA 1.438 56.390 54.840 0.187 0.000 0.747 353 L CB -0.343 41.816 42.059 0.168 0.000 0.896 353 L HN 0.222 nan 8.230 nan 0.000 0.432 354 E N -0.123 120.120 120.200 0.072 0.000 2.051 354 E HA -0.249 4.055 4.350 -0.077 0.000 0.192 354 E C 2.289 178.895 176.600 0.011 0.000 0.991 354 E CA 1.196 57.618 56.400 0.037 0.000 0.799 354 E CB -0.207 29.494 29.700 0.002 0.000 0.748 354 E HN 0.503 nan 8.360 nan 0.000 0.449 355 A N 1.247 124.071 122.820 0.007 0.000 1.940 355 A HA -0.138 4.136 4.320 -0.077 0.000 0.219 355 A C 2.219 179.790 177.584 -0.021 0.000 1.176 355 A CA 1.672 53.706 52.037 -0.006 0.000 0.631 355 A CB -0.484 18.515 19.000 -0.001 0.000 0.814 355 A HN 0.281 nan 8.150 nan 0.000 0.446 356 A N -1.670 121.143 122.820 -0.012 0.000 2.276 356 A HA 0.425 4.699 4.320 -0.077 0.000 0.212 356 A C 1.614 179.053 177.584 -0.241 0.000 1.230 356 A CA 1.065 53.062 52.037 -0.067 0.000 0.844 356 A CB -1.138 17.876 19.000 0.024 0.000 0.860 356 A HN 1.944 nan 8.150 nan 0.000 0.486 357 G N -0.677 108.017 108.800 -0.176 0.000 2.137 357 G HA2 -0.196 3.718 3.960 -0.077 0.000 0.237 357 G HA3 -0.196 3.718 3.960 -0.077 0.000 0.237 357 G C -0.090 174.653 174.900 -0.263 0.000 1.002 357 G CA 0.173 45.155 45.100 -0.197 0.000 0.702 357 G HN 0.689 nan 8.290 nan 0.000 0.515 358 H N 0.651 119.722 119.070 0.002 0.000 2.472 358 H HA 0.518 5.037 4.556 -0.062 0.000 0.335 358 H C 0.601 175.924 175.328 -0.008 0.000 1.136 358 H CA 0.601 56.646 56.048 -0.004 0.000 1.264 358 H CB 1.308 31.075 29.762 0.008 0.000 1.486 358 H HN 0.328 nan 8.280 nan 0.000 0.517 359 T N 1.789 116.406 114.554 0.106 0.000 2.771 359 T HA 0.329 4.633 4.350 -0.077 0.000 0.291 359 T C 0.289 175.027 174.700 0.063 0.000 0.954 359 T CA -0.968 61.169 62.100 0.061 0.000 1.045 359 T CB 0.736 69.624 68.868 0.033 0.000 0.917 359 T HN 0.180 nan 8.240 nan 0.000 0.484 360 L N 4.189 125.469 121.223 0.096 0.000 2.287 360 L HA 0.518 4.812 4.340 -0.077 0.000 0.287 360 L C -0.355 176.693 176.870 0.297 0.000 1.022 360 L CA -0.589 54.358 54.840 0.179 0.000 0.814 360 L CB 1.094 43.198 42.059 0.075 0.000 1.217 360 L HN 0.757 nan 8.230 nan 0.000 0.420 361 I N 5.662 126.381 120.570 0.249 0.000 2.382 361 I HA 0.305 4.429 4.170 -0.077 0.000 0.286 361 I C -2.139 173.917 176.117 -0.102 0.000 1.002 361 I CA -1.984 59.375 61.300 0.098 0.000 1.135 361 I CB 1.982 39.983 38.000 0.003 0.000 1.288 361 I HN 0.315 nan 8.210 nan 0.000 0.448 362 P HA 0.030 nan 4.420 nan 0.000 0.260 362 P C -1.022 176.200 177.300 -0.130 0.000 1.185 362 P CA 0.455 63.251 63.100 -0.508 0.000 0.763 362 P CB 0.059 31.600 31.700 -0.265 0.000 0.776 363 F N 5.153 124.942 119.950 -0.268 0.000 2.623 363 F HA 0.529 5.006 4.527 -0.084 0.000 0.323 363 F C -2.139 173.623 175.800 -0.064 0.000 1.158 363 F CA -0.964 56.959 58.000 -0.128 0.000 1.030 363 F CB 1.286 40.210 39.000 -0.128 0.000 1.280 363 F HN 0.057 nan 8.300 nan 0.000 0.474 364 L N 8.493 129.355 121.223 -0.602 0.000 2.441 364 L HA 0.694 4.988 4.340 -0.077 0.000 0.270 364 L C -2.606 173.879 176.870 -0.641 0.000 0.973 364 L CA -2.062 52.439 54.840 -0.565 0.000 0.842 364 L CB 1.785 43.593 42.059 -0.418 0.000 1.239 364 L HN 0.337 nan 8.230 nan 0.000 0.406 365 P HA 0.071 nan 4.420 nan 0.000 0.262 365 P C -1.098 176.101 177.300 -0.169 0.000 1.182 365 P CA 0.173 63.160 63.100 -0.188 0.000 0.761 365 P CB 0.127 31.832 31.700 0.009 0.000 0.795 366 N N 2.085 120.718 118.700 -0.111 0.000 2.453 366 N HA -0.014 4.680 4.740 -0.077 0.000 0.253 366 N C -0.053 175.533 175.510 0.127 0.000 1.252 366 N CA -0.353 52.678 53.050 -0.031 0.000 0.917 366 N CB -0.270 38.205 38.487 -0.020 0.000 1.117 366 N HN 0.242 nan 8.380 nan 0.000 0.442 367 N N -0.038 118.703 118.700 0.068 0.000 2.705 367 N HA -0.203 4.491 4.740 -0.077 0.000 0.255 367 N C 0.240 175.779 175.510 0.048 0.000 1.008 367 N CA 0.572 53.677 53.050 0.092 0.000 0.742 367 N CB -0.855 37.719 38.487 0.145 0.000 0.906 367 N HN 0.642 nan 8.380 nan 0.000 0.541 368 I N 0.541 121.094 120.570 -0.028 0.000 2.142 368 I HA -0.184 3.940 4.170 -0.077 0.000 0.240 368 I C -0.475 175.524 176.117 -0.197 0.000 1.078 368 I CA 1.243 62.458 61.300 -0.141 0.000 1.343 368 I CB -0.987 36.908 38.000 -0.176 0.000 1.046 368 I HN 0.175 nan 8.210 nan 0.000 0.405 369 P HA -0.275 nan 4.420 nan 0.000 0.217 369 P C 1.569 178.862 177.300 -0.012 0.000 1.162 369 P CA 1.736 64.841 63.100 0.008 0.000 0.901 369 P CB -0.223 31.577 31.700 0.167 0.000 0.793 370 Y N 0.614 120.825 120.300 -0.149 0.000 2.081 370 Y HA -0.258 4.246 4.550 -0.077 0.000 0.280 370 Y C 2.384 178.099 175.900 -0.309 0.000 1.163 370 Y CA 1.607 59.592 58.100 -0.193 0.000 1.135 370 Y CB -1.335 36.997 38.460 -0.213 0.000 0.970 370 Y HN -0.106 nan 8.280 nan 0.000 0.498 371 A N -0.076 122.392 122.820 -0.587 0.000 1.978 371 A HA -0.144 4.130 4.320 -0.077 0.000 0.220 371 A C 2.376 179.671 177.584 -0.481 0.000 1.170 371 A CA 1.952 53.505 52.037 -0.807 0.000 0.636 371 A CB -0.993 17.504 19.000 -0.838 0.000 0.810 371 A HN 0.565 nan 8.150 nan 0.000 0.448 372 L N -1.618 119.380 121.223 -0.374 0.000 2.121 372 L HA -0.044 4.250 4.340 -0.077 0.000 0.200 372 L C 2.593 179.381 176.870 -0.137 0.000 1.077 372 L CA 1.226 55.891 54.840 -0.292 0.000 0.766 372 L CB -0.563 41.208 42.059 -0.479 0.000 0.931 372 L HN 0.363 nan 8.230 nan 0.000 0.452 373 E N -0.487 119.665 120.200 -0.080 0.000 2.107 373 E HA -0.190 4.114 4.350 -0.077 0.000 0.191 373 E C 2.037 178.666 176.600 0.048 0.000 0.982 373 E CA 1.484 57.929 56.400 0.075 0.000 0.809 373 E CB 0.161 29.942 29.700 0.135 0.000 0.756 373 E HN 0.373 nan 8.360 nan 0.000 0.459 374 V N -0.536 119.347 119.914 -0.052 0.000 2.627 374 V HA 0.005 4.079 4.120 -0.077 0.000 0.239 374 V C 1.826 177.826 176.094 -0.156 0.000 1.077 374 V CA 0.474 62.736 62.300 -0.064 0.000 1.103 374 V CB -0.176 31.649 31.823 0.002 0.000 0.802 374 V HN 0.155 nan 8.190 nan 0.000 0.482 375 L N 0.672 121.685 121.223 -0.349 0.000 2.027 375 L HA -0.048 4.246 4.340 -0.077 0.000 0.206 375 L C 2.776 179.534 176.870 -0.186 0.000 1.074 375 L CA 2.024 56.661 54.840 -0.338 0.000 0.745 375 L CB -0.732 40.995 42.059 -0.554 0.000 0.898 375 L HN 0.366 nan 8.230 nan 0.000 0.433 376 S N -0.904 114.697 115.700 -0.165 0.000 2.362 376 S HA -0.111 4.313 4.470 -0.077 0.000 0.221 376 S C 2.012 176.625 174.600 0.023 0.000 1.032 376 S CA 1.512 59.663 58.200 -0.082 0.000 0.973 376 S CB -0.164 62.979 63.200 -0.095 0.000 0.849 376 S HN 0.392 nan 8.310 nan 0.000 0.465 377 T N 1.738 116.353 114.554 0.103 0.000 2.708 377 T HA -0.057 4.247 4.350 -0.077 0.000 0.266 377 T C 2.047 176.868 174.700 0.203 0.000 1.037 377 T CA 1.407 63.669 62.100 0.269 0.000 1.146 377 T CB -0.846 68.185 68.868 0.271 0.000 0.865 377 T HN 0.528 nan 8.240 nan 0.000 0.435 378 G N 0.730 109.575 108.800 0.074 0.000 2.422 378 G HA2 0.021 3.935 3.960 -0.077 0.000 0.218 378 G HA3 0.021 3.935 3.960 -0.077 0.000 0.218 378 G C 1.676 176.583 174.900 0.011 0.000 1.140 378 G CA 0.857 45.982 45.100 0.042 0.000 0.775 378 G HN 0.568 nan 8.290 nan 0.000 0.545 379 G N 0.754 109.539 108.800 -0.025 0.000 2.394 379 G HA2 -0.059 3.855 3.960 -0.077 0.000 0.215 379 G HA3 -0.059 3.855 3.960 -0.077 0.000 0.215 379 G C 1.744 176.577 174.900 -0.112 0.000 1.165 379 G CA 0.457 45.526 45.100 -0.050 0.000 0.784 379 G HN 0.408 nan 8.290 nan 0.000 0.535 380 L N -1.043 120.065 121.223 -0.193 0.000 2.217 380 L HA 0.218 4.512 4.340 -0.077 0.000 0.211 380 L C 1.004 177.371 176.870 -0.839 0.000 1.107 380 L CA 0.519 55.050 54.840 -0.515 0.000 0.783 380 L CB 0.029 41.707 42.059 -0.635 0.000 0.919 380 L HN 0.136 nan 8.230 nan 0.000 0.442 381 F N -1.870 118.018 119.950 -0.103 0.000 2.841 381 F HA 0.211 4.691 4.527 -0.078 0.000 0.358 381 F C 1.766 177.513 175.800 -0.089 0.000 1.261 381 F CA -0.303 57.615 58.000 -0.135 0.000 1.233 381 F CB -0.208 38.678 39.000 -0.189 0.000 1.008 381 F HN -0.180 nan 8.300 nan 0.000 0.507 382 S N 0.244 115.962 115.700 0.031 0.000 2.392 382 S HA -0.250 4.174 4.470 -0.077 0.000 0.232 382 S C 1.605 176.223 174.600 0.031 0.000 1.041 382 S CA 2.029 60.245 58.200 0.026 0.000 1.026 382 S CB -0.268 62.938 63.200 0.010 0.000 0.845 382 S HN 0.636 nan 8.310 nan 0.000 0.465 383 D N -0.214 120.209 120.400 0.039 0.000 2.358 383 D HA 0.260 4.854 4.640 -0.077 0.000 0.224 383 D C 1.131 177.459 176.300 0.046 0.000 1.123 383 D CA 0.524 54.546 54.000 0.038 0.000 0.833 383 D CB -0.510 40.313 40.800 0.039 0.000 0.946 383 D HN 0.379 nan 8.370 nan 0.000 0.505 384 G N -0.111 108.720 108.800 0.051 0.000 2.184 384 G HA2 -0.219 3.695 3.960 -0.077 0.000 0.264 384 G HA3 -0.219 3.695 3.960 -0.077 0.000 0.264 384 G C 1.187 176.105 174.900 0.031 0.000 0.975 384 G CA 0.436 45.545 45.100 0.014 0.000 0.642 384 G HN 1.442 nan 8.290 nan 0.000 0.536 385 G N -0.950 107.935 108.800 0.142 0.000 2.141 385 G HA2 -0.278 3.636 3.960 -0.077 0.000 0.231 385 G HA3 -0.278 3.636 3.960 -0.077 0.000 0.231 385 G C 0.909 175.923 174.900 0.190 0.000 0.984 385 G CA 1.272 46.503 45.100 0.218 0.000 0.660 385 G HN 1.045 nan 8.290 nan 0.000 0.525 386 R N 0.650 121.220 120.500 0.116 0.000 2.075 386 R HA 0.013 4.307 4.340 -0.077 0.000 0.232 386 R C 2.773 179.137 176.300 0.108 0.000 1.126 386 R CA 2.155 58.310 56.100 0.092 0.000 0.963 386 R CB -0.324 30.010 30.300 0.056 0.000 0.858 386 R HN 0.411 nan 8.270 nan 0.000 0.435 387 S N 0.449 116.216 115.700 0.112 0.000 2.359 387 S HA -0.190 4.234 4.470 -0.077 0.000 0.224 387 S C 1.508 176.190 174.600 0.136 0.000 1.035 387 S CA 1.496 59.759 58.200 0.105 0.000 1.018 387 S CB -0.494 62.760 63.200 0.090 0.000 0.876 387 S HN 0.402 nan 8.310 nan 0.000 0.448 388 F N 2.310 122.271 119.950 0.018 0.000 2.126 388 F HA -0.049 4.432 4.527 -0.075 0.000 0.299 388 F C 1.816 177.715 175.800 0.164 0.000 1.096 388 F CA 1.224 59.251 58.000 0.045 0.000 1.255 388 F CB -0.366 38.623 39.000 -0.019 0.000 0.997 388 F HN 0.073 nan 8.300 nan 0.000 0.479 389 L N -0.088 121.240 121.223 0.174 0.000 2.275 389 L HA -0.198 4.096 4.340 -0.077 0.000 0.215 389 L C 2.370 179.291 176.870 0.085 0.000 1.119 389 L CA 0.862 55.758 54.840 0.092 0.000 0.790 389 L CB -0.676 41.435 42.059 0.087 0.000 0.919 389 L HN 0.202 nan 8.230 nan 0.000 0.443 390 Q N 0.394 120.225 119.800 0.050 0.000 2.181 390 Q HA -0.186 4.108 4.340 -0.077 0.000 0.205 390 Q C 1.838 177.829 176.000 -0.015 0.000 0.980 390 Q CA 1.442 57.259 55.803 0.024 0.000 0.862 390 Q CB -0.170 28.582 28.738 0.024 0.000 0.905 390 Q HN 0.487 nan 8.270 nan 0.000 0.429 391 N N -1.070 117.584 118.700 -0.076 0.000 2.459 391 N HA -0.085 4.609 4.740 -0.077 0.000 0.181 391 N C 0.489 175.794 175.510 -0.343 0.000 1.046 391 N CA 0.709 53.619 53.050 -0.234 0.000 0.904 391 N CB 0.024 38.271 38.487 -0.401 0.000 0.964 391 N HN 0.307 nan 8.380 nan 0.000 0.444 392 F N 0.891 120.731 119.950 -0.183 0.000 2.727 392 F HA 0.208 4.689 4.527 -0.078 0.000 0.302 392 F C 0.808 176.545 175.800 -0.105 0.000 1.097 392 F CA -0.413 57.504 58.000 -0.140 0.000 1.330 392 F CB 0.278 39.192 39.000 -0.143 0.000 1.084 392 F HN -0.333 nan 8.300 nan 0.000 0.578 393 K N 0.581 121.009 120.400 0.046 0.000 2.437 393 K HA 0.251 4.525 4.320 -0.077 0.000 0.277 393 K C 1.131 177.708 176.600 -0.038 0.000 1.073 393 K CA 1.183 57.472 56.287 0.004 0.000 1.105 393 K CB -0.177 32.316 32.500 -0.011 0.000 0.881 393 K HN 0.352 nan 8.250 nan 0.000 0.475 394 G N 2.552 111.318 108.800 -0.057 0.000 2.267 394 G HA2 -0.281 3.633 3.960 -0.077 0.000 0.257 394 G HA3 -0.281 3.633 3.960 -0.077 0.000 0.257 394 G C 0.061 174.851 174.900 -0.184 0.000 0.998 394 G CA 0.250 45.284 45.100 -0.111 0.000 0.620 394 G HN 0.647 nan 8.290 nan 0.000 0.529 395 D N -0.056 120.264 120.400 -0.133 0.000 2.253 395 D HA 0.570 5.164 4.640 -0.077 0.000 0.249 395 D C 0.676 176.903 176.300 -0.123 0.000 1.049 395 D CA -0.693 53.219 54.000 -0.146 0.000 0.929 395 D CB 0.386 41.125 40.800 -0.102 0.000 1.176 395 D HN 0.039 nan 8.370 nan 0.000 0.437 396 F N 0.534 120.505 119.950 0.035 0.000 2.496 396 F HA 0.108 4.589 4.527 -0.077 0.000 0.344 396 F C 0.913 176.797 175.800 0.139 0.000 1.155 396 F CA -0.259 57.778 58.000 0.061 0.000 1.302 396 F CB 0.642 39.660 39.000 0.030 0.000 1.159 396 F HN -0.087 nan 8.300 nan 0.000 0.595 397 V N 2.798 122.922 119.914 0.350 0.000 2.357 397 V HA 0.262 4.336 4.120 -0.077 0.000 0.284 397 V C -0.641 175.584 176.094 0.218 0.000 1.018 397 V CA -0.668 61.818 62.300 0.309 0.000 0.841 397 V CB 1.053 32.968 31.823 0.153 0.000 0.991 397 V HN 0.772 nan 8.190 nan 0.000 0.437 398 D N 7.422 127.953 120.400 0.217 0.000 2.455 398 D HA 0.267 4.861 4.640 -0.077 0.000 0.241 398 D C -1.516 174.838 176.300 0.090 0.000 1.138 398 D CA -0.911 53.165 54.000 0.127 0.000 0.877 398 D CB 1.819 42.693 40.800 0.123 0.000 1.187 398 D HN 0.421 nan 8.370 nan 0.000 0.451 399 P HA -0.153 nan 4.420 nan 0.000 0.218 399 P C 1.292 178.601 177.300 0.014 0.000 1.146 399 P CA 0.807 63.922 63.100 0.026 0.000 0.813 399 P CB -0.198 31.505 31.700 0.006 0.000 0.778 400 C N -3.072 116.238 119.300 0.016 0.000 2.491 400 C HA 0.108 4.522 4.460 -0.077 0.000 0.277 400 C C 2.111 177.096 174.990 -0.008 0.000 1.455 400 C CA -0.146 58.862 59.018 -0.015 0.000 1.758 400 C CB -2.167 25.563 27.740 -0.018 0.000 1.745 400 C HN 0.035 nan 8.230 nan 0.000 0.558 401 L N 1.831 123.084 121.223 0.051 0.000 2.395 401 L HA 0.292 4.586 4.340 -0.077 0.000 0.218 401 L C 2.067 178.957 176.870 0.034 0.000 1.130 401 L CA 1.584 56.471 54.840 0.079 0.000 0.826 401 L CB -1.590 40.551 42.059 0.136 0.000 0.941 401 L HN 0.757 nan 8.230 nan 0.000 0.451 402 G N -0.216 108.590 108.800 0.010 0.000 2.566 402 G HA2 -0.341 3.573 3.960 -0.077 0.000 0.280 402 G HA3 -0.341 3.573 3.960 -0.077 0.000 0.280 402 G C 0.423 175.332 174.900 0.016 0.000 1.225 402 G CA 0.268 45.370 45.100 0.004 0.000 0.966 402 G HN 0.251 nan 8.290 nan 0.000 0.560 403 D N 0.640 121.056 120.400 0.026 0.000 2.336 403 D HA 0.186 4.780 4.640 -0.077 0.000 0.228 403 D C 2.255 178.567 176.300 0.020 0.000 1.120 403 D CA 0.111 54.124 54.000 0.023 0.000 0.839 403 D CB 0.429 41.252 40.800 0.038 0.000 0.932 403 D HN 0.279 nan 8.370 nan 0.000 0.509 404 L N 0.913 122.153 121.223 0.030 0.000 2.013 404 L HA -0.210 4.084 4.340 -0.077 0.000 0.212 404 L C 1.839 178.680 176.870 -0.049 0.000 1.073 404 L CA 1.599 56.452 54.840 0.022 0.000 0.753 404 L CB -0.276 41.828 42.059 0.074 0.000 0.890 404 L HN -0.046 nan 8.230 nan 0.000 0.432 405 I N -0.906 119.613 120.570 -0.085 0.000 2.202 405 I HA -0.239 3.885 4.170 -0.077 0.000 0.242 405 I C 2.523 178.566 176.117 -0.122 0.000 1.091 405 I CA 1.242 62.440 61.300 -0.172 0.000 1.368 405 I CB -1.612 36.180 38.000 -0.346 0.000 1.058 405 I HN 0.343 nan 8.210 nan 0.000 0.410 406 L N 1.019 122.189 121.223 -0.088 0.000 2.043 406 L HA -0.186 4.108 4.340 -0.077 0.000 0.212 406 L C 2.371 179.195 176.870 -0.078 0.000 1.075 406 L CA 1.889 56.686 54.840 -0.072 0.000 0.752 406 L CB -0.482 41.550 42.059 -0.045 0.000 0.891 406 L HN 0.103 nan 8.230 nan 0.000 0.432 407 I N -1.386 119.143 120.570 -0.070 0.000 2.233 407 I HA -0.272 3.852 4.170 -0.077 0.000 0.243 407 I C 2.336 178.366 176.117 -0.144 0.000 1.093 407 I CA 1.065 62.315 61.300 -0.083 0.000 1.380 407 I CB -0.275 37.692 38.000 -0.054 0.000 1.067 407 I HN 0.223 nan 8.210 nan 0.000 0.413 408 L N 0.296 121.413 121.223 -0.177 0.000 2.079 408 L HA -0.215 4.079 4.340 -0.077 0.000 0.210 408 L C 2.650 179.451 176.870 -0.115 0.000 1.081 408 L CA 1.363 56.090 54.840 -0.189 0.000 0.752 408 L CB -0.637 41.335 42.059 -0.145 0.000 0.896 408 L HN 0.206 nan 8.230 nan 0.000 0.433 409 R N -0.023 120.418 120.500 -0.098 0.000 2.189 409 R HA -0.000 4.294 4.340 -0.077 0.000 0.223 409 R C 0.651 176.887 176.300 -0.106 0.000 1.092 409 R CA 0.261 56.311 56.100 -0.084 0.000 0.989 409 R CB -0.276 29.974 30.300 -0.083 0.000 0.876 409 R HN 0.309 nan 8.270 nan 0.000 0.457 410 L N 3.353 124.497 121.223 -0.130 0.000 2.490 410 L HA 0.061 4.355 4.340 -0.077 0.000 0.274 410 L C -1.812 174.960 176.870 -0.164 0.000 1.201 410 L CA -1.595 53.140 54.840 -0.174 0.000 0.869 410 L CB -0.105 41.886 42.059 -0.112 0.000 1.123 410 L HN -0.100 nan 8.230 nan 0.000 0.484 411 P HA -0.025 nan 4.420 nan 0.000 0.269 411 P C 0.449 177.626 177.300 -0.206 0.000 1.215 411 P CA -0.164 62.836 63.100 -0.167 0.000 0.780 411 P CB 0.905 32.524 31.700 -0.136 0.000 0.898 412 S N 1.942 117.610 115.700 -0.053 0.000 2.370 412 S HA -0.121 4.303 4.470 -0.077 0.000 0.226 412 S C 1.631 176.229 174.600 -0.003 0.000 1.033 412 S CA 1.230 59.418 58.200 -0.021 0.000 1.011 412 S CB -0.824 62.403 63.200 0.044 0.000 0.852 412 S HN 0.679 nan 8.310 nan 0.000 0.457 413 W N 0.066 121.399 121.300 0.056 0.000 2.374 413 W HA -0.117 4.498 4.660 -0.075 0.000 0.288 413 W C 1.792 178.360 176.519 0.081 0.000 1.218 413 W CA 0.588 57.966 57.345 0.056 0.000 1.245 413 W CB -1.191 28.305 29.460 0.060 0.000 1.126 413 W HN 0.404 nan 8.180 nan 0.000 0.545 414 F N 2.410 121.683 119.950 -1.128 0.000 2.234 414 F HA 0.049 4.530 4.527 -0.077 0.000 0.296 414 F C 2.537 178.045 175.800 -0.488 0.000 1.089 414 F CA 1.820 59.121 58.000 -1.165 0.000 1.343 414 F CB -0.314 37.772 39.000 -1.524 0.000 1.040 414 F HN -0.313 nan 8.300 nan 0.000 0.498 415 K N 0.079 120.340 120.400 -0.232 0.000 2.032 415 K HA -0.268 4.006 4.320 -0.077 0.000 0.209 415 K C 2.187 178.673 176.600 -0.191 0.000 1.048 415 K CA 1.886 58.062 56.287 -0.185 0.000 0.927 415 K CB -0.281 32.133 32.500 -0.143 0.000 0.712 415 K HN 0.131 nan 8.250 nan 0.000 0.441 416 R N 1.223 121.645 120.500 -0.130 0.000 2.080 416 R HA -0.175 4.119 4.340 -0.077 0.000 0.236 416 R C 2.202 178.439 176.300 -0.105 0.000 1.137 416 R CA 1.454 57.510 56.100 -0.072 0.000 0.943 416 R CB -0.667 29.640 30.300 0.012 0.000 0.846 416 R HN 0.153 nan 8.270 nan 0.000 0.431 417 L N 0.378 121.519 121.223 -0.137 0.000 2.042 417 L HA -0.090 4.204 4.340 -0.077 0.000 0.210 417 L C 2.068 178.773 176.870 -0.275 0.000 1.076 417 L CA 1.719 56.467 54.840 -0.154 0.000 0.749 417 L CB -0.545 41.447 42.059 -0.111 0.000 0.893 417 L HN 0.399 nan 8.230 nan 0.000 0.432 418 L N -1.370 119.571 121.223 -0.470 0.000 2.056 418 L HA -0.192 4.102 4.340 -0.077 0.000 0.207 418 L C 2.698 179.442 176.870 -0.210 0.000 1.078 418 L CA 1.559 56.143 54.840 -0.427 0.000 0.749 418 L CB -0.397 41.344 42.059 -0.530 0.000 0.901 418 L HN 0.555 nan 8.230 nan 0.000 0.433 419 S N 0.610 116.207 115.700 -0.172 0.000 2.369 419 S HA -0.217 4.207 4.470 -0.077 0.000 0.225 419 S C 1.953 176.511 174.600 -0.070 0.000 1.043 419 S CA 1.979 60.123 58.200 -0.095 0.000 1.074 419 S CB -0.459 62.696 63.200 -0.076 0.000 0.962 419 S HN 0.463 nan 8.310 nan 0.000 0.433 420 L N -0.606 120.575 121.223 -0.070 0.000 2.291 420 L HA 0.140 4.434 4.340 -0.077 0.000 0.214 420 L C 2.320 179.161 176.870 -0.049 0.000 1.120 420 L CA 0.944 55.756 54.840 -0.046 0.000 0.799 420 L CB -1.725 40.316 42.059 -0.030 0.000 0.925 420 L HN 0.280 nan 8.230 nan 0.000 0.446 421 L N 0.493 121.676 121.223 -0.066 0.000 2.005 421 L HA -0.117 4.177 4.340 -0.077 0.000 0.207 421 L C 2.521 179.370 176.870 -0.036 0.000 1.072 421 L CA 1.468 56.275 54.840 -0.054 0.000 0.744 421 L CB -0.972 41.043 42.059 -0.073 0.000 0.895 421 L HN 0.183 nan 8.230 nan 0.000 0.433 422 L N -0.635 120.571 121.223 -0.028 0.000 2.275 422 L HA -0.154 4.140 4.340 -0.077 0.000 0.215 422 L C 2.385 179.247 176.870 -0.013 0.000 1.119 422 L CA 1.232 56.086 54.840 0.022 0.000 0.790 422 L CB -1.069 41.013 42.059 0.038 0.000 0.919 422 L HN 0.267 nan 8.230 nan 0.000 0.443 423 K N 0.956 121.338 120.400 -0.031 0.000 2.001 423 K HA -0.140 4.134 4.320 -0.077 0.000 0.214 423 K C -0.603 175.964 176.600 -0.056 0.000 1.050 423 K CA 1.805 58.073 56.287 -0.032 0.000 0.934 423 K CB -1.535 30.951 32.500 -0.025 0.000 0.718 423 K HN 0.182 nan 8.250 nan 0.000 0.443 424 P HA -0.172 nan 4.420 nan 0.000 0.218 424 P C 1.158 178.354 177.300 -0.174 0.000 1.148 424 P CA 1.119 64.161 63.100 -0.097 0.000 0.822 424 P CB 0.075 31.724 31.700 -0.085 0.000 0.784 425 L N -2.120 118.947 121.223 -0.259 0.000 2.187 425 L HA 0.148 4.442 4.340 -0.077 0.000 0.197 425 L C 1.140 177.552 176.870 -0.764 0.000 1.090 425 L CA 1.338 55.818 54.840 -0.600 0.000 0.781 425 L CB -1.147 40.447 42.059 -0.775 0.000 0.956 425 L HN -0.121 nan 8.230 nan 0.000 0.463 426 F N 0.337 120.245 119.950 -0.071 0.000 2.449 426 F HA 0.321 4.801 4.527 -0.078 0.000 0.344 426 F C -1.573 174.137 175.800 -0.150 0.000 1.180 426 F CA -1.554 56.375 58.000 -0.118 0.000 1.209 426 F CB 0.379 39.271 39.000 -0.180 0.000 1.440 426 F HN -0.031 nan 8.300 nan 0.000 0.526 427 P HA -0.149 nan 4.420 nan 0.000 0.218 427 P C 1.664 178.928 177.300 -0.061 0.000 1.148 427 P CA 1.372 64.477 63.100 0.008 0.000 0.822 427 P CB 0.192 31.946 31.700 0.090 0.000 0.784 428 R N -1.062 119.290 120.500 -0.245 0.000 2.092 428 R HA -0.060 4.234 4.340 -0.077 0.000 0.231 428 R C 1.911 178.010 176.300 -0.335 0.000 1.119 428 R CA 1.100 56.970 56.100 -0.382 0.000 0.970 428 R CB -0.888 28.898 30.300 -0.857 0.000 0.864 428 R HN 0.188 nan 8.270 nan 0.000 0.440 429 L N 0.141 121.094 121.223 -0.450 0.000 2.072 429 L HA -0.024 4.270 4.340 -0.077 0.000 0.205 429 L C 2.494 179.334 176.870 -0.051 0.000 1.079 429 L CA 1.715 56.345 54.840 -0.350 0.000 0.752 429 L CB -1.225 40.602 42.059 -0.386 0.000 0.906 429 L HN 0.109 nan 8.230 nan 0.000 0.436 430 A N -0.136 122.657 122.820 -0.046 0.000 1.873 430 A HA -0.235 4.039 4.320 -0.077 0.000 0.218 430 A C 2.525 180.123 177.584 0.023 0.000 1.193 430 A CA 2.323 54.353 52.037 -0.012 0.000 0.629 430 A CB -1.079 17.914 19.000 -0.012 0.000 0.826 430 A HN 0.388 nan 8.150 nan 0.000 0.447 431 A N -1.450 121.401 122.820 0.052 0.000 1.883 431 A HA -0.103 4.171 4.320 -0.077 0.000 0.217 431 A C 2.148 179.832 177.584 0.167 0.000 1.186 431 A CA 1.615 53.712 52.037 0.101 0.000 0.624 431 A CB -0.784 18.292 19.000 0.127 0.000 0.822 431 A HN 0.681 nan 8.150 nan 0.000 0.444 432 F N 0.284 120.265 119.950 0.051 0.000 2.069 432 F HA -0.203 4.279 4.527 -0.075 0.000 0.298 432 F C 2.069 177.878 175.800 0.015 0.000 1.113 432 F CA 1.779 59.838 58.000 0.099 0.000 1.214 432 F CB -0.158 38.998 39.000 0.261 0.000 0.978 432 F HN 0.160 nan 8.300 nan 0.000 0.474 433 L N 0.324 121.523 121.223 -0.041 0.000 2.042 433 L HA -0.300 3.994 4.340 -0.077 0.000 0.210 433 L C 2.101 178.874 176.870 -0.161 0.000 1.076 433 L CA 1.799 56.532 54.840 -0.177 0.000 0.749 433 L CB -0.833 41.168 42.059 -0.096 0.000 0.893 433 L HN 0.231 nan 8.230 nan 0.000 0.432 434 N N -0.162 118.491 118.700 -0.078 0.000 2.381 434 N HA -0.148 4.546 4.740 -0.077 0.000 0.182 434 N C 1.245 176.724 175.510 -0.051 0.000 1.025 434 N CA 0.948 53.965 53.050 -0.055 0.000 0.888 434 N CB 0.025 38.501 38.487 -0.017 0.000 0.965 434 N HN 0.252 nan 8.380 nan 0.000 0.438 435 N N -0.074 118.591 118.700 -0.059 0.000 2.230 435 N HA 0.095 4.789 4.740 -0.077 0.000 0.202 435 N C 0.001 175.471 175.510 -0.067 0.000 1.119 435 N CA 0.141 53.171 53.050 -0.033 0.000 0.851 435 N CB 0.291 38.791 38.487 0.022 0.000 0.990 435 N HN 0.527 nan 8.380 nan 0.000 0.497 436 M N -1.108 118.388 119.600 -0.174 0.000 2.869 436 M HA 0.399 4.833 4.480 -0.077 0.000 0.353 436 M C -0.473 175.737 176.300 -0.150 0.000 1.224 436 M CA -0.474 54.694 55.300 -0.219 0.000 0.917 436 M CB 0.490 32.715 32.600 -0.626 0.000 1.322 436 M HN -0.283 nan 8.290 nan 0.000 0.516 437 R N 0.521 120.975 120.500 -0.076 0.000 2.758 437 R HA 0.719 5.013 4.340 -0.077 0.000 0.265 437 R C -2.886 173.406 176.300 -0.013 0.000 1.016 437 R CA -1.850 54.220 56.100 -0.051 0.000 1.040 437 R CB 0.320 30.597 30.300 -0.039 0.000 1.152 437 R HN 0.022 nan 8.270 nan 0.000 0.503 438 P HA 0.175 nan 4.420 nan 0.000 0.272 438 P C -0.856 176.446 177.300 0.003 0.000 1.223 438 P CA -0.208 62.895 63.100 0.006 0.000 0.784 438 P CB 0.632 32.338 31.700 0.010 0.000 0.923 439 R N 0.087 120.586 120.500 -0.002 0.000 2.855 439 R HA 0.604 4.898 4.340 -0.077 0.000 0.266 439 R C -0.224 176.056 176.300 -0.033 0.000 1.034 439 R CA -0.909 55.184 56.100 -0.013 0.000 0.944 439 R CB 0.941 31.236 30.300 -0.008 0.000 1.219 439 R HN 0.450 nan 8.270 nan 0.000 0.474 440 S N 0.131 115.799 115.700 -0.054 0.000 2.593 440 S HA 0.270 4.694 4.470 -0.077 0.000 0.269 440 S C 1.235 175.744 174.600 -0.152 0.000 1.334 440 S CA -0.223 57.918 58.200 -0.099 0.000 1.015 440 S CB 1.407 64.539 63.200 -0.112 0.000 0.912 440 S HN 0.756 nan 8.310 nan 0.000 0.541 441 A N 0.678 123.361 122.820 -0.228 0.000 1.948 441 A HA -0.171 4.103 4.320 -0.077 0.000 0.220 441 A C 2.128 179.330 177.584 -0.638 0.000 1.177 441 A CA 1.847 53.653 52.037 -0.386 0.000 0.636 441 A CB -1.177 17.557 19.000 -0.443 0.000 0.815 441 A HN 1.007 nan 8.150 nan 0.000 0.449 442 E N -0.271 119.601 120.200 -0.547 0.000 2.049 442 E HA -0.246 4.058 4.350 -0.077 0.000 0.198 442 E C 1.770 178.275 176.600 -0.158 0.000 1.007 442 E CA 1.490 57.624 56.400 -0.443 0.000 0.809 442 E CB -0.071 29.479 29.700 -0.249 0.000 0.749 442 E HN 0.423 nan 8.360 nan 0.000 0.450 443 K N 0.534 120.876 120.400 -0.097 0.000 2.148 443 K HA -0.088 4.186 4.320 -0.077 0.000 0.204 443 K C 2.283 178.907 176.600 0.040 0.000 1.050 443 K CA 0.366 56.651 56.287 -0.003 0.000 0.942 443 K CB -0.389 32.107 32.500 -0.007 0.000 0.724 443 K HN 0.299 nan 8.250 nan 0.000 0.446 444 L N -0.277 120.949 121.223 0.005 0.000 2.017 444 L HA -0.191 4.103 4.340 -0.077 0.000 0.208 444 L C 2.144 179.150 176.870 0.226 0.000 1.073 444 L CA 1.341 56.228 54.840 0.078 0.000 0.745 444 L CB -0.300 41.788 42.059 0.048 0.000 0.894 444 L HN 0.237 nan 8.230 nan 0.000 0.432 445 W N 0.508 121.831 121.300 0.038 0.000 2.318 445 W HA -0.257 4.356 4.660 -0.077 0.000 0.313 445 W C 2.660 179.224 176.519 0.075 0.000 1.221 445 W CA 1.330 58.703 57.345 0.046 0.000 1.266 445 W CB -0.987 28.489 29.460 0.028 0.000 1.150 445 W HN 0.180 nan 8.180 nan 0.000 0.496 446 K N 0.015 120.603 120.400 0.313 0.000 2.032 446 K HA -0.220 4.054 4.320 -0.077 0.000 0.209 446 K C 2.134 178.862 176.600 0.214 0.000 1.048 446 K CA 1.710 58.140 56.287 0.239 0.000 0.927 446 K CB -0.611 31.990 32.500 0.168 0.000 0.712 446 K HN 0.018 nan 8.250 nan 0.000 0.441 447 L N 1.457 122.776 121.223 0.160 0.000 2.017 447 L HA -0.191 4.103 4.340 -0.077 0.000 0.208 447 L C 2.422 179.353 176.870 0.101 0.000 1.073 447 L CA 1.848 56.750 54.840 0.104 0.000 0.745 447 L CB -0.778 41.321 42.059 0.066 0.000 0.894 447 L HN 0.252 nan 8.230 nan 0.000 0.432 448 Q N -0.835 119.048 119.800 0.139 0.000 2.077 448 Q HA -0.323 3.971 4.340 -0.077 0.000 0.206 448 Q C 2.331 178.416 176.000 0.142 0.000 0.989 448 Q CA 2.351 58.230 55.803 0.128 0.000 0.853 448 Q CB -0.536 28.296 28.738 0.157 0.000 0.907 448 Q HN 0.752 nan 8.270 nan 0.000 0.418 449 H N -0.068 119.051 119.070 0.082 0.000 2.389 449 H HA 0.008 4.519 4.556 -0.075 0.000 0.299 449 H C 1.534 176.917 175.328 0.091 0.000 1.081 449 H CA 1.974 58.066 56.048 0.073 0.000 1.345 449 H CB 0.122 29.930 29.762 0.076 0.000 1.393 449 H HN 0.461 nan 8.280 nan 0.000 0.520 450 E N -0.295 119.924 120.200 0.033 0.000 2.150 450 E HA -0.111 4.193 4.350 -0.077 0.000 0.193 450 E C 2.205 178.821 176.600 0.027 0.000 0.985 450 E CA 1.156 57.572 56.400 0.026 0.000 0.814 450 E CB 0.041 29.816 29.700 0.125 0.000 0.752 450 E HN 0.550 nan 8.360 nan 0.000 0.466 451 I N 0.940 121.514 120.570 0.007 0.000 2.252 451 I HA -0.234 3.890 4.170 -0.077 0.000 0.245 451 I C 2.259 178.406 176.117 0.050 0.000 1.102 451 I CA 1.095 62.407 61.300 0.020 0.000 1.385 451 I CB -0.139 37.860 38.000 -0.002 0.000 1.064 451 I HN 0.051 nan 8.210 nan 0.000 0.414 452 E N 0.581 120.791 120.200 0.017 0.000 2.058 452 E HA -0.244 4.060 4.350 -0.077 0.000 0.194 452 E C 2.274 178.863 176.600 -0.018 0.000 0.997 452 E CA 1.573 57.980 56.400 0.011 0.000 0.801 452 E CB -0.073 29.645 29.700 0.031 0.000 0.746 452 E HN 0.397 nan 8.360 nan 0.000 0.450 453 M N -0.921 118.625 119.600 -0.090 0.000 2.254 453 M HA -0.121 4.313 4.480 -0.077 0.000 0.265 453 M C 1.986 178.306 176.300 0.032 0.000 1.066 453 M CA 1.073 56.332 55.300 -0.068 0.000 1.123 453 M CB -0.080 32.433 32.600 -0.145 0.000 1.388 453 M HN 0.201 nan 8.290 nan 0.000 0.425 454 Y N 0.558 120.848 120.300 -0.016 0.000 2.200 454 Y HA -0.189 4.312 4.550 -0.081 0.000 0.290 454 Y C 2.542 178.439 175.900 -0.005 0.000 1.137 454 Y CA 1.587 59.698 58.100 0.018 0.000 1.163 454 Y CB -0.085 38.373 38.460 -0.004 0.000 0.988 454 Y HN 0.039 nan 8.280 nan 0.000 0.518 455 R N -0.002 120.455 120.500 -0.073 0.000 2.094 455 R HA -0.227 4.067 4.340 -0.077 0.000 0.239 455 R C 2.234 178.489 176.300 -0.076 0.000 1.137 455 R CA 2.120 58.160 56.100 -0.101 0.000 0.943 455 R CB -0.192 30.123 30.300 0.026 0.000 0.850 455 R HN 0.396 nan 8.270 nan 0.000 0.433 456 Q N -0.177 119.602 119.800 -0.034 0.000 2.170 456 Q HA -0.133 4.161 4.340 -0.077 0.000 0.203 456 Q C 2.107 178.093 176.000 -0.023 0.000 0.976 456 Q CA 1.577 57.377 55.803 -0.006 0.000 0.858 456 Q CB -0.390 28.352 28.738 0.006 0.000 0.907 456 Q HN 0.283 nan 8.270 nan 0.000 0.433 457 S N 0.128 115.778 115.700 -0.083 0.000 2.353 457 S HA -0.117 4.307 4.470 -0.077 0.000 0.222 457 S C 2.048 176.597 174.600 -0.085 0.000 1.035 457 S CA 1.425 59.572 58.200 -0.088 0.000 1.025 457 S CB -0.112 63.021 63.200 -0.111 0.000 0.902 457 S HN 0.198 nan 8.310 nan 0.000 0.440 458 V N 1.806 121.591 119.914 -0.215 0.000 2.515 458 V HA -0.103 3.971 4.120 -0.077 0.000 0.250 458 V C 2.236 178.482 176.094 0.254 0.000 1.058 458 V CA 1.678 63.962 62.300 -0.025 0.000 1.064 458 V CB -0.656 31.045 31.823 -0.202 0.000 0.675 458 V HN 0.494 nan 8.190 nan 0.000 0.461 459 I N 0.495 121.172 120.570 0.177 0.000 2.202 459 I HA -0.203 3.921 4.170 -0.077 0.000 0.242 459 I C 2.677 178.906 176.117 0.187 0.000 1.091 459 I CA 1.447 62.849 61.300 0.169 0.000 1.368 459 I CB -0.565 37.468 38.000 0.055 0.000 1.058 459 I HN 0.271 nan 8.210 nan 0.000 0.410 460 A N -0.038 122.862 122.820 0.132 0.000 1.908 460 A HA -0.301 3.973 4.320 -0.077 0.000 0.218 460 A C 2.298 179.994 177.584 0.186 0.000 1.181 460 A CA 1.887 53.999 52.037 0.125 0.000 0.627 460 A CB -0.737 18.309 19.000 0.076 0.000 0.818 460 A HN 0.499 nan 8.150 nan 0.000 0.445 461 Q N -1.412 118.526 119.800 0.231 0.000 2.030 461 Q HA -0.224 4.070 4.340 -0.077 0.000 0.204 461 Q C 2.048 178.354 176.000 0.510 0.000 0.986 461 Q CA 1.887 57.877 55.803 0.312 0.000 0.843 461 Q CB -0.298 28.616 28.738 0.292 0.000 0.904 461 Q HN 0.869 nan 8.270 nan 0.000 0.420 462 W N 1.451 122.938 121.300 0.312 0.000 2.335 462 W HA -0.209 4.395 4.660 -0.093 0.000 0.311 462 W C 1.538 178.056 176.519 -0.000 0.000 1.213 462 W CA 1.644 59.021 57.345 0.053 0.000 1.274 462 W CB -0.165 29.312 29.460 0.027 0.000 1.148 462 W HN 0.144 nan 8.180 nan 0.000 0.498 463 K N 0.047 120.676 120.400 0.382 0.000 2.057 463 K HA -0.101 4.173 4.320 -0.077 0.000 0.206 463 K C 2.325 179.008 176.600 0.140 0.000 1.050 463 K CA 1.364 57.789 56.287 0.230 0.000 0.935 463 K CB -0.627 31.969 32.500 0.160 0.000 0.715 463 K HN 0.057 nan 8.250 nan 0.000 0.439 464 A N 1.230 124.139 122.820 0.147 0.000 1.927 464 A HA -0.223 4.051 4.320 -0.077 0.000 0.220 464 A C 2.012 179.647 177.584 0.086 0.000 1.185 464 A CA 1.848 53.950 52.037 0.108 0.000 0.639 464 A CB -0.349 18.721 19.000 0.116 0.000 0.820 464 A HN 0.219 nan 8.150 nan 0.000 0.451 465 M N -1.360 118.300 119.600 0.100 0.000 2.495 465 M HA 0.215 4.649 4.480 -0.077 0.000 0.237 465 M C 0.561 176.829 176.300 -0.054 0.000 1.131 465 M CA 0.153 55.478 55.300 0.042 0.000 1.032 465 M CB -0.928 31.741 32.600 0.114 0.000 1.513 465 M HN 0.562 nan 8.290 nan 0.000 0.488 466 N N -0.026 118.655 118.700 -0.031 0.000 2.735 466 N HA -0.170 4.524 4.740 -0.077 0.000 0.248 466 N C -1.177 174.253 175.510 -0.133 0.000 1.083 466 N CA 0.165 53.192 53.050 -0.037 0.000 0.703 466 N CB -0.945 37.531 38.487 -0.017 0.000 1.005 466 N HN 0.407 nan 8.380 nan 0.000 0.550 467 L N -0.338 120.683 121.223 -0.337 0.000 2.426 467 L HA 0.087 4.381 4.340 -0.077 0.000 0.271 467 L C 1.324 178.042 176.870 -0.253 0.000 1.169 467 L CA -0.219 54.269 54.840 -0.585 0.000 0.836 467 L CB 0.468 41.626 42.059 -1.501 0.000 1.112 467 L HN 0.198 nan 8.230 nan 0.000 0.465 468 D N 1.120 121.395 120.400 -0.208 0.000 2.213 468 D HA 0.098 4.691 4.640 -0.077 0.000 0.205 468 D C 0.248 176.553 176.300 0.007 0.000 0.961 468 D CA 1.009 54.979 54.000 -0.050 0.000 0.853 468 D CB 0.918 41.656 40.800 -0.105 0.000 0.967 468 D HN 0.216 nan 8.370 nan 0.000 0.496 469 V N -0.095 119.653 119.914 -0.276 0.000 3.282 469 V HA 0.362 4.436 4.120 -0.077 0.000 0.295 469 V C -1.997 173.773 176.094 -0.540 0.000 1.451 469 V CA -0.887 61.250 62.300 -0.272 0.000 1.062 469 V CB 2.953 34.429 31.823 -0.577 0.000 1.128 469 V HN -0.082 nan 8.190 nan 0.000 0.456 470 L N 3.180 124.254 121.223 -0.248 0.000 2.410 470 L HA 0.789 5.083 4.340 -0.077 0.000 0.270 470 L C -1.409 175.547 176.870 0.144 0.000 0.983 470 L CA -0.291 54.465 54.840 -0.140 0.000 0.822 470 L CB 1.622 43.678 42.059 -0.006 0.000 1.285 470 L HN 0.658 nan 8.230 nan 0.000 0.409 471 L N 4.268 125.592 121.223 0.167 0.000 2.307 471 L HA 0.870 5.164 4.340 -0.077 0.000 0.284 471 L C -0.601 176.269 176.870 -0.001 0.000 1.023 471 L CA 0.535 55.513 54.840 0.231 0.000 0.810 471 L CB 1.914 44.157 42.059 0.308 0.000 1.231 471 L HN 0.754 nan 8.230 nan 0.000 0.423 472 T N 4.759 119.248 114.554 -0.108 0.000 2.894 472 T HA 0.546 4.850 4.350 -0.077 0.000 0.309 472 T C -2.867 171.680 174.700 -0.254 0.000 1.208 472 T CA -0.923 60.959 62.100 -0.363 0.000 1.016 472 T CB 2.229 71.006 68.868 -0.153 0.000 1.192 472 T HN 0.346 nan 8.240 nan 0.000 0.491 473 P HA 0.507 nan 4.420 nan 0.000 0.274 473 P C -1.036 176.041 177.300 -0.371 0.000 1.231 473 P CA -0.685 62.189 63.100 -0.378 0.000 0.790 473 P CB 0.496 31.839 31.700 -0.594 0.000 0.951 474 M N 3.152 122.604 119.600 -0.246 0.000 2.456 474 M HA 0.429 4.863 4.480 -0.077 0.000 0.324 474 M C -1.193 175.062 176.300 -0.074 0.000 1.124 474 M CA -1.337 53.882 55.300 -0.134 0.000 0.959 474 M CB 1.100 33.655 32.600 -0.076 0.000 1.692 474 M HN 0.080 nan 8.290 nan 0.000 0.444 475 L N 4.236 125.509 121.223 0.084 0.000 2.525 475 L HA 0.566 4.860 4.340 -0.077 0.000 0.278 475 L C 0.083 177.140 176.870 0.312 0.000 1.218 475 L CA 1.512 56.511 54.840 0.264 0.000 0.878 475 L CB -0.184 42.173 42.059 0.497 0.000 1.127 475 L HN 0.875 nan 8.230 nan 0.000 0.492 476 G N 4.486 113.388 108.800 0.171 0.000 2.361 476 G HA2 0.323 4.237 3.960 -0.077 0.000 0.299 476 G HA3 0.323 4.237 3.960 -0.077 0.000 0.299 476 G C -3.297 171.557 174.900 -0.076 0.000 1.544 476 G CA -0.686 44.422 45.100 0.013 0.000 0.860 476 G HN 0.536 nan 8.290 nan 0.000 0.610 477 P HA 0.450 nan 4.420 nan 0.000 0.275 477 P C 0.536 177.506 177.300 -0.549 0.000 1.266 477 P CA 0.254 63.186 63.100 -0.281 0.000 0.793 477 P CB 0.575 32.134 31.700 -0.235 0.000 1.074 478 A N 0.755 123.113 122.820 -0.769 0.000 2.598 478 A HA 0.050 4.324 4.320 -0.077 0.000 0.239 478 A C 0.306 177.466 177.584 -0.707 0.000 1.032 478 A CA 0.225 51.521 52.037 -1.234 0.000 0.760 478 A CB -1.076 17.565 19.000 -0.599 0.000 0.946 478 A HN 0.405 nan 8.150 nan 0.000 0.512 479 L N 2.538 123.370 121.223 -0.652 0.000 2.436 479 L HA 0.198 4.492 4.340 -0.077 0.000 0.265 479 L C 0.695 177.482 176.870 -0.139 0.000 1.168 479 L CA 0.251 54.955 54.840 -0.226 0.000 0.815 479 L CB 0.176 42.212 42.059 -0.040 0.000 1.109 479 L HN 0.666 nan 8.230 nan 0.000 0.462 480 D N 0.393 120.733 120.400 -0.101 0.000 2.364 480 D HA -0.054 4.540 4.640 -0.077 0.000 0.236 480 D C 0.925 177.192 176.300 -0.054 0.000 1.221 480 D CA -0.100 53.859 54.000 -0.068 0.000 0.891 480 D CB 0.480 41.245 40.800 -0.059 0.000 1.190 480 D HN 0.285 nan 8.370 nan 0.000 0.449 481 L N 1.512 122.712 121.223 -0.039 0.000 2.610 481 L HA 0.048 4.342 4.340 -0.077 0.000 0.232 481 L C 0.674 177.520 176.870 -0.041 0.000 1.149 481 L CA 1.203 56.026 54.840 -0.028 0.000 0.872 481 L CB -0.443 41.607 42.059 -0.014 0.000 0.992 481 L HN 0.266 nan 8.230 nan 0.000 0.447 482 N N -1.994 116.673 118.700 -0.054 0.000 2.307 482 N HA 0.083 4.777 4.740 -0.077 0.000 0.248 482 N C 1.194 176.649 175.510 -0.091 0.000 1.322 482 N CA 0.899 53.910 53.050 -0.065 0.000 0.861 482 N CB 0.685 39.148 38.487 -0.041 0.000 1.303 482 N HN 0.339 nan 8.380 nan 0.000 0.498 483 T N -2.786 111.701 114.554 -0.112 0.000 3.037 483 T HA 0.172 4.476 4.350 -0.077 0.000 0.252 483 T C -1.116 173.454 174.700 -0.217 0.000 1.073 483 T CA 0.217 62.245 62.100 -0.120 0.000 1.091 483 T CB -0.439 68.382 68.868 -0.079 0.000 0.935 483 T HN -0.122 nan 8.240 nan 0.000 0.488 484 P HA -0.002 nan 4.420 nan 0.000 0.216 484 P C 1.808 178.705 177.300 -0.672 0.000 1.150 484 P CA 1.485 64.020 63.100 -0.941 0.000 0.843 484 P CB -0.704 30.106 31.700 -1.484 0.000 0.787 485 G N -1.006 107.559 108.800 -0.391 0.000 2.708 485 G HA2 -0.190 3.724 3.960 -0.077 0.000 0.210 485 G HA3 -0.190 3.724 3.960 -0.077 0.000 0.210 485 G C 1.428 176.237 174.900 -0.153 0.000 1.141 485 G CA 0.301 45.276 45.100 -0.208 0.000 0.788 485 G HN 0.300 nan 8.290 nan 0.000 0.531 486 R N -0.990 119.410 120.500 -0.167 0.000 2.517 486 R HA 0.284 4.578 4.340 -0.077 0.000 0.265 486 R C 1.018 177.235 176.300 -0.138 0.000 0.921 486 R CA 0.318 56.360 56.100 -0.098 0.000 1.054 486 R CB 0.800 31.084 30.300 -0.026 0.000 1.340 486 R HN 0.167 nan 8.270 nan 0.000 0.551 487 A N 1.223 123.935 122.820 -0.181 0.000 3.260 487 A HA 0.196 4.470 4.320 -0.077 0.000 0.268 487 A C 0.763 178.152 177.584 -0.324 0.000 1.491 487 A CA -0.269 51.680 52.037 -0.146 0.000 1.181 487 A CB -0.305 18.711 19.000 0.027 0.000 1.137 487 A HN 0.062 nan 8.150 nan 0.000 0.642 488 T N -0.467 113.535 114.554 -0.919 0.000 2.915 488 T HA -0.078 4.226 4.350 -0.077 0.000 0.269 488 T C 2.026 176.128 174.700 -0.997 0.000 1.071 488 T CA 1.537 62.998 62.100 -1.066 0.000 1.132 488 T CB 0.003 67.911 68.868 -1.600 0.000 0.878 488 T HN 0.617 nan 8.240 nan 0.000 0.479 489 G N 1.300 109.525 108.800 -0.957 0.000 2.422 489 G HA2 0.012 3.926 3.960 -0.077 0.000 0.218 489 G HA3 0.012 3.926 3.960 -0.077 0.000 0.218 489 G C 1.701 176.634 174.900 0.055 0.000 1.140 489 G CA 0.581 45.582 45.100 -0.165 0.000 0.775 489 G HN 0.589 nan 8.290 nan 0.000 0.545 490 A N 0.077 122.919 122.820 0.036 0.000 2.216 490 A HA 0.196 4.470 4.320 -0.077 0.000 0.214 490 A C 2.295 179.942 177.584 0.105 0.000 1.160 490 A CA 1.109 53.236 52.037 0.150 0.000 0.725 490 A CB -0.337 18.779 19.000 0.194 0.000 0.784 490 A HN 0.334 nan 8.150 nan 0.000 0.472 491 V N 0.904 120.806 119.914 -0.020 0.000 2.913 491 V HA -0.202 3.872 4.120 -0.077 0.000 0.260 491 V C 2.679 178.802 176.094 0.047 0.000 1.098 491 V CA 2.223 64.558 62.300 0.058 0.000 1.121 491 V CB -0.722 31.066 31.823 -0.058 0.000 0.714 491 V HN 0.854 nan 8.190 nan 0.000 0.487 492 S N -0.436 115.257 115.700 -0.011 0.000 2.380 492 S HA -0.316 4.108 4.470 -0.077 0.000 0.229 492 S C 1.842 176.344 174.600 -0.163 0.000 1.043 492 S CA 2.084 60.185 58.200 -0.165 0.000 1.038 492 S CB -0.882 62.209 63.200 -0.182 0.000 0.872 492 S HN 0.649 nan 8.310 nan 0.000 0.456 493 Y N 3.117 123.474 120.300 0.094 0.000 2.352 493 Y HA -0.022 4.495 4.550 -0.056 0.000 0.292 493 Y C 3.106 179.057 175.900 0.085 0.000 1.136 493 Y CA 1.190 59.370 58.100 0.132 0.000 1.227 493 Y CB -0.852 37.696 38.460 0.147 0.000 0.991 493 Y HN 0.612 nan 8.280 nan 0.000 0.545 494 T N -3.841 110.751 114.554 0.064 0.000 2.988 494 T HA -0.076 4.228 4.350 -0.077 0.000 0.240 494 T C 1.876 176.550 174.700 -0.043 0.000 1.014 494 T CA 0.683 62.752 62.100 -0.050 0.000 1.155 494 T CB -0.677 67.929 68.868 -0.437 0.000 0.872 494 T HN 0.100 nan 8.240 nan 0.000 0.440 495 M N 1.864 121.411 119.600 -0.088 0.000 2.116 495 M HA -0.041 4.393 4.480 -0.077 0.000 0.255 495 M C 2.018 178.218 176.300 -0.167 0.000 1.075 495 M CA 1.264 56.501 55.300 -0.105 0.000 1.087 495 M CB -1.186 31.351 32.600 -0.105 0.000 1.340 495 M HN 0.295 nan 8.290 nan 0.000 0.402 496 L N -0.589 120.475 121.223 -0.264 0.000 2.051 496 L HA -0.250 4.044 4.340 -0.077 0.000 0.214 496 L C 1.716 178.277 176.870 -0.515 0.000 1.076 496 L CA 2.096 56.666 54.840 -0.450 0.000 0.758 496 L CB -1.021 40.650 42.059 -0.647 0.000 0.890 496 L HN 0.514 nan 8.230 nan 0.000 0.433 497 Y N -1.205 119.064 120.300 -0.051 0.000 2.523 497 Y HA 0.075 4.594 4.550 -0.051 0.000 0.279 497 Y C 2.195 178.060 175.900 -0.058 0.000 1.139 497 Y CA 0.712 58.773 58.100 -0.064 0.000 1.296 497 Y CB -0.734 37.748 38.460 0.036 0.000 1.045 497 Y HN 0.337 nan 8.280 nan 0.000 0.538 498 N N -0.938 117.772 118.700 0.017 0.000 2.216 498 N HA -0.175 4.519 4.740 -0.077 0.000 0.183 498 N C 1.922 177.407 175.510 -0.041 0.000 1.017 498 N CA 1.366 54.409 53.050 -0.013 0.000 0.861 498 N CB -0.395 38.069 38.487 -0.038 0.000 0.986 498 N HN 0.328 nan 8.380 nan 0.000 0.428 499 C N 0.556 119.805 119.300 -0.086 0.000 2.453 499 C HA 0.066 4.480 4.460 -0.077 0.000 0.277 499 C C 2.232 177.183 174.990 -0.065 0.000 1.262 499 C CA 0.513 59.475 59.018 -0.093 0.000 1.718 499 C CB -1.162 26.486 27.740 -0.153 0.000 2.031 499 C HN 0.419 nan 8.230 nan 0.000 0.480 500 L N 0.293 121.441 121.223 -0.125 0.000 2.376 500 L HA 0.007 4.301 4.340 -0.077 0.000 0.219 500 L C 1.084 177.935 176.870 -0.031 0.000 1.133 500 L CA 1.480 56.189 54.840 -0.218 0.000 0.816 500 L CB -0.582 41.023 42.059 -0.755 0.000 0.933 500 L HN 0.402 nan 8.230 nan 0.000 0.449 501 D N -0.246 120.171 120.400 0.028 0.000 2.723 501 D HA -0.252 4.342 4.640 -0.077 0.000 0.236 501 D C -0.309 176.110 176.300 0.199 0.000 1.138 501 D CA 0.553 54.593 54.000 0.066 0.000 0.676 501 D CB -1.285 39.515 40.800 0.000 0.000 1.069 501 D HN 0.171 nan 8.370 nan 0.000 0.430 502 F N 0.031 119.960 119.950 -0.036 0.000 2.399 502 F HA 0.403 4.874 4.527 -0.092 0.000 0.334 502 F C -1.348 174.398 175.800 -0.089 0.000 1.097 502 F CA -2.420 55.528 58.000 -0.086 0.000 1.076 502 F CB 1.493 40.497 39.000 0.008 0.000 1.162 502 F HN -0.132 nan 8.300 nan 0.000 0.495 503 P HA 0.120 nan 4.420 nan 0.000 0.267 503 P C -1.313 175.993 177.300 0.010 0.000 1.205 503 P CA 0.025 63.114 63.100 -0.018 0.000 0.765 503 P CB 1.038 32.704 31.700 -0.057 0.000 0.828 504 A N 3.056 125.881 122.820 0.008 0.000 2.427 504 A HA 0.746 5.020 4.320 -0.077 0.000 0.298 504 A C -0.214 177.360 177.584 -0.018 0.000 1.036 504 A CA -0.498 51.526 52.037 -0.021 0.000 0.701 504 A CB 1.660 20.644 19.000 -0.026 0.000 1.250 504 A HN 0.562 nan 8.150 nan 0.000 0.412 505 G N -0.444 108.344 108.800 -0.021 0.000 2.537 505 G HA2 0.657 4.571 3.960 -0.077 0.000 0.308 505 G HA3 0.657 4.571 3.960 -0.077 0.000 0.308 505 G C -1.567 173.300 174.900 -0.055 0.000 1.237 505 G CA -0.706 44.376 45.100 -0.030 0.000 0.968 505 G HN 1.377 nan 8.290 nan 0.000 0.481 506 V N 0.287 120.164 119.914 -0.061 0.000 2.638 506 V HA 0.718 4.792 4.120 -0.077 0.000 0.306 506 V C -0.838 175.216 176.094 -0.066 0.000 1.052 506 V CA -0.710 61.546 62.300 -0.074 0.000 0.885 506 V CB 1.743 33.518 31.823 -0.080 0.000 0.999 506 V HN 1.073 nan 8.190 nan 0.000 0.424 507 V N 7.875 127.739 119.914 -0.084 0.000 2.709 507 V HA 0.816 4.890 4.120 -0.077 0.000 0.308 507 V C -2.721 173.332 176.094 -0.068 0.000 1.062 507 V CA -2.192 60.064 62.300 -0.072 0.000 0.901 507 V CB 2.748 34.514 31.823 -0.094 0.000 1.003 507 V HN 0.797 nan 8.190 nan 0.000 0.425 508 P HA 0.247 nan 4.420 nan 0.000 0.281 508 P C 0.242 177.512 177.300 -0.049 0.000 1.252 508 P CA 0.206 63.276 63.100 -0.049 0.000 0.778 508 P CB 1.583 33.265 31.700 -0.031 0.000 0.895 509 V N -0.148 119.731 119.914 -0.060 0.000 3.426 509 V HA 0.360 4.434 4.120 -0.077 0.000 0.279 509 V C 0.389 176.457 176.094 -0.044 0.000 1.544 509 V CA 0.532 62.800 62.300 -0.053 0.000 1.017 509 V CB 0.373 32.155 31.823 -0.067 0.000 0.821 509 V HN 0.615 nan 8.190 nan 0.000 0.432 510 T N 0.621 115.143 114.554 -0.054 0.000 2.693 510 T HA 0.597 4.901 4.350 -0.077 0.000 0.304 510 T C -0.957 173.699 174.700 -0.074 0.000 1.471 510 T CA 0.562 62.634 62.100 -0.047 0.000 0.993 510 T CB 1.728 70.570 68.868 -0.042 0.000 1.554 510 T HN 0.823 nan 8.240 nan 0.000 0.496 511 T N -0.672 113.846 114.554 -0.059 0.000 2.907 511 T HA 0.680 4.984 4.350 -0.077 0.000 0.292 511 T C -0.414 174.248 174.700 -0.063 0.000 1.043 511 T CA -0.711 61.338 62.100 -0.085 0.000 1.003 511 T CB 1.210 70.048 68.868 -0.050 0.000 1.084 511 T HN 0.483 nan 8.240 nan 0.000 0.483 512 V N 3.719 123.584 119.914 -0.081 0.000 2.458 512 V HA 0.239 4.313 4.120 -0.077 0.000 0.287 512 V C 1.465 177.540 176.094 -0.031 0.000 1.009 512 V CA -0.003 62.261 62.300 -0.060 0.000 1.091 512 V CB -0.513 31.264 31.823 -0.076 0.000 0.960 512 V HN 1.177 nan 8.190 nan 0.000 0.476 513 T N 2.748 117.290 114.554 -0.021 0.000 2.882 513 T HA 0.495 4.799 4.350 -0.077 0.000 0.287 513 T C 1.402 176.097 174.700 -0.009 0.000 1.014 513 T CA -0.114 61.981 62.100 -0.009 0.000 1.049 513 T CB 1.619 70.484 68.868 -0.005 0.000 1.001 513 T HN 0.710 nan 8.240 nan 0.000 0.525 514 A N 0.980 123.798 122.820 -0.003 0.000 1.948 514 A HA -0.127 4.147 4.320 -0.077 0.000 0.220 514 A C 2.240 179.823 177.584 -0.002 0.000 1.177 514 A CA 1.987 54.023 52.037 -0.003 0.000 0.636 514 A CB -1.134 17.867 19.000 0.001 0.000 0.815 514 A HN 1.009 nan 8.150 nan 0.000 0.449 515 E N -0.097 120.103 120.200 -0.000 0.000 2.049 515 E HA -0.238 4.066 4.350 -0.077 0.000 0.198 515 E C 1.650 178.251 176.600 0.003 0.000 1.007 515 E CA 1.542 57.944 56.400 0.003 0.000 0.809 515 E CB -0.213 29.489 29.700 0.004 0.000 0.749 515 E HN 0.593 nan 8.360 nan 0.000 0.450 516 D N 0.286 120.685 120.400 -0.002 0.000 2.104 516 D HA -0.177 4.417 4.640 -0.077 0.000 0.194 516 D C 1.645 177.941 176.300 -0.007 0.000 0.994 516 D CA 1.327 55.325 54.000 -0.003 0.000 0.830 516 D CB -0.461 40.330 40.800 -0.015 0.000 0.959 516 D HN 0.150 nan 8.370 nan 0.000 0.452 517 D N -0.193 120.197 120.400 -0.017 0.000 2.178 517 D HA -0.031 4.563 4.640 -0.077 0.000 0.202 517 D C 1.926 178.216 176.300 -0.016 0.000 0.974 517 D CA 1.280 55.264 54.000 -0.026 0.000 0.841 517 D CB 0.055 40.838 40.800 -0.028 0.000 0.953 517 D HN 0.122 nan 8.370 nan 0.000 0.478 518 A N -0.030 122.787 122.820 -0.005 0.000 1.897 518 A HA -0.154 4.120 4.320 -0.077 0.000 0.215 518 A C 2.073 179.665 177.584 0.013 0.000 1.181 518 A CA 1.133 53.171 52.037 0.002 0.000 0.620 518 A CB -0.559 18.443 19.000 0.004 0.000 0.821 518 A HN 0.254 nan 8.150 nan 0.000 0.443 519 Q N -1.567 118.245 119.800 0.018 0.000 2.364 519 Q HA -0.125 4.169 4.340 -0.077 0.000 0.207 519 Q C 1.846 177.883 176.000 0.060 0.000 0.970 519 Q CA 1.155 56.980 55.803 0.036 0.000 0.888 519 Q CB -0.264 28.497 28.738 0.037 0.000 0.951 519 Q HN 0.550 nan 8.270 nan 0.000 0.469 520 M N 0.796 120.419 119.600 0.039 0.000 2.192 520 M HA -0.222 4.212 4.480 -0.077 0.000 0.259 520 M C 1.336 177.672 176.300 0.059 0.000 1.071 520 M CA 1.508 56.825 55.300 0.028 0.000 1.082 520 M CB -0.091 32.478 32.600 -0.051 0.000 1.373 520 M HN 0.022 nan 8.290 nan 0.000 0.408 521 E N -0.561 119.666 120.200 0.044 0.000 2.110 521 E HA -0.095 4.209 4.350 -0.077 0.000 0.193 521 E C 1.720 178.362 176.600 0.071 0.000 0.988 521 E CA 1.110 57.538 56.400 0.047 0.000 0.804 521 E CB -0.300 29.417 29.700 0.028 0.000 0.745 521 E HN 0.510 nan 8.360 nan 0.000 0.458 522 L N -0.352 120.916 121.223 0.076 0.000 2.591 522 L HA 0.063 4.357 4.340 -0.077 0.000 0.228 522 L C 0.143 177.061 176.870 0.081 0.000 1.133 522 L CA -0.323 54.554 54.840 0.062 0.000 0.880 522 L CB 0.041 42.123 42.059 0.038 0.000 1.033 522 L HN 0.120 nan 8.230 nan 0.000 0.450 523 Y N 2.615 122.906 120.300 -0.016 0.000 2.569 523 Y HA 0.093 4.594 4.550 -0.082 0.000 0.332 523 Y C 0.155 176.040 175.900 -0.025 0.000 1.120 523 Y CA -0.276 57.808 58.100 -0.026 0.000 1.416 523 Y CB 0.025 38.475 38.460 -0.016 0.000 1.210 523 Y HN 0.012 nan 8.280 nan 0.000 0.528 524 K N 4.632 124.908 120.400 -0.207 0.000 2.318 524 K HA 0.634 4.908 4.320 -0.077 0.000 0.249 524 K C 0.195 176.495 176.600 -0.501 0.000 0.942 524 K CA -0.880 55.305 56.287 -0.169 0.000 0.808 524 K CB 1.706 34.147 32.500 -0.099 0.000 1.189 524 K HN 0.744 nan 8.250 nan 0.000 0.428 525 G N 0.255 108.892 108.800 -0.272 0.000 2.611 525 G HA2 0.024 3.938 3.960 -0.077 0.000 0.273 525 G HA3 0.024 3.938 3.960 -0.077 0.000 0.273 525 G C -0.164 174.564 174.900 -0.286 0.000 1.305 525 G CA -0.220 44.700 45.100 -0.301 0.000 1.010 525 G HN 0.639 nan 8.290 nan 0.000 0.509 526 Y N -1.138 119.123 120.300 -0.066 0.000 2.509 526 Y HA 0.122 4.623 4.550 -0.082 0.000 0.293 526 Y C 1.895 177.505 175.900 -0.483 0.000 1.133 526 Y CA 0.839 58.771 58.100 -0.280 0.000 1.283 526 Y CB -0.047 38.186 38.460 -0.377 0.000 1.001 526 Y HN 0.396 nan 8.280 nan 0.000 0.555 527 F N -2.500 117.486 119.950 0.059 0.000 2.577 527 F HA 0.382 4.861 4.527 -0.080 0.000 0.276 527 F C 2.051 177.874 175.800 0.039 0.000 1.032 527 F CA 0.536 58.552 58.000 0.027 0.000 1.297 527 F CB -0.179 38.815 39.000 -0.010 0.000 1.061 527 F HN -0.139 nan 8.300 nan 0.000 0.680 528 G N 1.221 110.169 108.800 0.247 0.000 2.148 528 G HA2 -0.280 3.634 3.960 -0.077 0.000 0.254 528 G HA3 -0.280 3.634 3.960 -0.077 0.000 0.254 528 G C -0.234 174.782 174.900 0.194 0.000 0.981 528 G CA 0.368 45.572 45.100 0.173 0.000 0.670 528 G HN 0.459 nan 8.290 nan 0.000 0.528 529 D N 0.110 120.629 120.400 0.198 0.000 2.414 529 D HA 0.390 4.984 4.640 -0.077 0.000 0.251 529 D C 2.101 178.367 176.300 -0.056 0.000 1.252 529 D CA -0.437 53.583 54.000 0.033 0.000 0.999 529 D CB 0.191 40.929 40.800 -0.103 0.000 1.093 529 D HN 0.486 nan 8.370 nan 0.000 0.515 530 I N -2.159 118.282 120.570 -0.214 0.000 2.567 530 I HA -0.135 3.989 4.170 -0.077 0.000 0.257 530 I C 1.050 177.252 176.117 0.141 0.000 1.184 530 I CA 0.820 62.079 61.300 -0.068 0.000 1.451 530 I CB -1.275 36.654 38.000 -0.119 0.000 1.089 530 I HN 0.351 nan 8.210 nan 0.000 0.441 531 W N 2.142 123.402 121.300 -0.066 0.000 2.388 531 W HA -0.074 4.541 4.660 -0.075 0.000 0.294 531 W C 2.325 178.862 176.519 0.030 0.000 1.212 531 W CA 0.895 58.217 57.345 -0.040 0.000 1.271 531 W CB -1.217 28.189 29.460 -0.090 0.000 1.126 531 W HN 0.254 nan 8.180 nan 0.000 0.535 532 D N -0.183 120.397 120.400 0.300 0.000 2.123 532 D HA -0.126 4.468 4.640 -0.077 0.000 0.200 532 D C 2.274 178.711 176.300 0.228 0.000 0.976 532 D CA 1.081 55.251 54.000 0.282 0.000 0.831 532 D CB -0.347 40.611 40.800 0.262 0.000 0.974 532 D HN -0.031 nan 8.370 nan 0.000 0.469 533 I N 0.993 121.660 120.570 0.161 0.000 2.163 533 I HA -0.223 3.901 4.170 -0.077 0.000 0.243 533 I C 2.526 178.695 176.117 0.086 0.000 1.085 533 I CA 0.926 62.293 61.300 0.111 0.000 1.347 533 I CB -0.851 37.189 38.000 0.067 0.000 1.044 533 I HN 0.017 nan 8.210 nan 0.000 0.408 534 I N 0.083 120.707 120.570 0.089 0.000 2.252 534 I HA -0.288 3.836 4.170 -0.077 0.000 0.245 534 I C 2.509 178.644 176.117 0.031 0.000 1.102 534 I CA 0.900 62.232 61.300 0.053 0.000 1.385 534 I CB -0.260 37.775 38.000 0.058 0.000 1.064 534 I HN 0.161 nan 8.210 nan 0.000 0.414 535 L N 1.051 122.313 121.223 0.065 0.000 2.046 535 L HA -0.222 4.072 4.340 -0.077 0.000 0.208 535 L C 2.470 179.280 176.870 -0.100 0.000 1.077 535 L CA 1.854 56.710 54.840 0.026 0.000 0.747 535 L CB -0.685 41.442 42.059 0.114 0.000 0.896 535 L HN 0.117 nan 8.230 nan 0.000 0.432 536 K N -0.544 119.802 120.400 -0.090 0.000 2.020 536 K HA -0.268 4.006 4.320 -0.077 0.000 0.212 536 K C 2.336 178.840 176.600 -0.160 0.000 1.050 536 K CA 1.723 57.872 56.287 -0.231 0.000 0.929 536 K CB -0.221 32.304 32.500 0.041 0.000 0.714 536 K HN 0.167 nan 8.250 nan 0.000 0.443 537 K N 0.545 120.904 120.400 -0.068 0.000 2.025 537 K HA -0.088 4.186 4.320 -0.077 0.000 0.207 537 K C 2.028 178.584 176.600 -0.074 0.000 1.049 537 K CA 1.417 57.672 56.287 -0.054 0.000 0.933 537 K CB -0.377 32.109 32.500 -0.023 0.000 0.714 537 K HN 0.266 nan 8.250 nan 0.000 0.438 538 A N 1.164 123.941 122.820 -0.072 0.000 1.940 538 A HA -0.144 4.130 4.320 -0.077 0.000 0.219 538 A C 2.095 179.609 177.584 -0.116 0.000 1.176 538 A CA 1.745 53.734 52.037 -0.081 0.000 0.631 538 A CB -0.398 18.564 19.000 -0.063 0.000 0.814 538 A HN 0.380 nan 8.150 nan 0.000 0.446 539 M N -0.699 118.811 119.600 -0.150 0.000 2.561 539 M HA 0.071 4.505 4.480 -0.077 0.000 0.238 539 M C 0.117 176.323 176.300 -0.157 0.000 1.131 539 M CA 0.369 55.562 55.300 -0.179 0.000 1.046 539 M CB -0.019 32.445 32.600 -0.227 0.000 1.532 539 M HN 0.201 nan 8.290 nan 0.000 0.497 540 K N 1.122 121.447 120.400 -0.126 0.000 2.107 540 K HA 0.133 4.407 4.320 -0.077 0.000 0.251 540 K C 0.643 177.198 176.600 -0.075 0.000 1.012 540 K CA -0.399 55.832 56.287 -0.092 0.000 0.920 540 K CB 0.422 32.880 32.500 -0.070 0.000 1.033 540 K HN 0.069 nan 8.250 nan 0.000 0.478 541 N N 0.585 119.251 118.700 -0.056 0.000 2.758 541 N HA -0.151 4.543 4.740 -0.077 0.000 0.248 541 N C -0.975 174.507 175.510 -0.048 0.000 1.076 541 N CA 0.567 53.592 53.050 -0.042 0.000 0.696 541 N CB -0.841 37.625 38.487 -0.035 0.000 0.979 541 N HN 0.492 nan 8.380 nan 0.000 0.550 542 S N -0.892 114.771 115.700 -0.060 0.000 2.602 542 S HA 0.166 4.590 4.470 -0.077 0.000 0.240 542 S C 0.534 175.099 174.600 -0.058 0.000 0.992 542 S CA -0.383 57.771 58.200 -0.077 0.000 0.971 542 S CB 0.947 64.076 63.200 -0.118 0.000 0.855 542 S HN 0.241 nan 8.310 nan 0.000 0.481 543 V N 1.926 121.822 119.914 -0.030 0.000 2.540 543 V HA 0.453 4.527 4.120 -0.077 0.000 0.297 543 V C 1.544 177.644 176.094 0.010 0.000 1.024 543 V CA 0.696 62.987 62.300 -0.014 0.000 1.105 543 V CB -0.369 31.453 31.823 -0.001 0.000 0.938 543 V HN 0.619 nan 8.190 nan 0.000 0.482 544 G N 3.334 112.139 108.800 0.008 0.000 2.217 544 G HA2 -0.220 3.694 3.960 -0.077 0.000 0.246 544 G HA3 -0.220 3.694 3.960 -0.077 0.000 0.246 544 G C 0.083 174.992 174.900 0.014 0.000 0.990 544 G CA 0.087 45.221 45.100 0.057 0.000 0.627 544 G HN 0.604 nan 8.290 nan 0.000 0.522 545 L N 2.725 123.890 121.223 -0.097 0.000 2.439 545 L HA 0.377 4.671 4.340 -0.077 0.000 0.269 545 L C -1.417 175.194 176.870 -0.432 0.000 1.179 545 L CA -1.801 52.849 54.840 -0.316 0.000 0.828 545 L CB 0.558 42.463 42.059 -0.256 0.000 1.106 545 L HN 0.026 nan 8.230 nan 0.000 0.467 546 P HA 0.184 nan 4.420 nan 0.000 0.279 546 P C -1.030 176.091 177.300 -0.299 0.000 1.239 546 P CA -0.213 62.574 63.100 -0.521 0.000 0.789 546 P CB 1.524 32.808 31.700 -0.692 0.000 0.933 547 V N 2.056 121.857 119.914 -0.189 0.000 2.680 547 V HA 0.734 4.808 4.120 -0.077 0.000 0.309 547 V C 0.363 176.404 176.094 -0.089 0.000 1.052 547 V CA -0.730 61.499 62.300 -0.118 0.000 0.908 547 V CB 1.607 33.370 31.823 -0.100 0.000 1.001 547 V HN 0.807 nan 8.190 nan 0.000 0.431 548 A N 3.420 126.203 122.820 -0.062 0.000 2.347 548 A HA 0.989 5.263 4.320 -0.077 0.000 0.301 548 A C -1.059 176.478 177.584 -0.079 0.000 1.163 548 A CA -0.749 51.250 52.037 -0.064 0.000 0.860 548 A CB 2.045 21.019 19.000 -0.043 0.000 1.367 548 A HN 0.692 nan 8.150 nan 0.000 0.461 549 V N -0.212 119.646 119.914 -0.093 0.000 2.962 549 V HA 0.496 4.570 4.120 -0.077 0.000 0.313 549 V C -0.673 175.354 176.094 -0.112 0.000 1.099 549 V CA -0.490 61.743 62.300 -0.111 0.000 0.971 549 V CB 1.989 33.741 31.823 -0.118 0.000 1.028 549 V HN 0.992 nan 8.190 nan 0.000 0.430 550 Q N 2.441 122.181 119.800 -0.099 0.000 2.293 550 Q HA 0.537 4.831 4.340 -0.077 0.000 0.261 550 Q C -1.555 174.421 176.000 -0.040 0.000 0.960 550 Q CA -0.423 55.338 55.803 -0.071 0.000 0.882 550 Q CB 1.625 30.344 28.738 -0.031 0.000 1.275 550 Q HN 0.800 nan 8.270 nan 0.000 0.445 551 C N 3.760 123.040 119.300 -0.033 0.000 2.345 551 C HA 0.728 5.142 4.460 -0.077 0.000 0.323 551 C C -0.565 174.494 174.990 0.115 0.000 1.276 551 C CA -0.636 58.444 59.018 0.104 0.000 1.543 551 C CB 0.627 28.339 27.740 -0.047 0.000 2.211 551 C HN 0.633 nan 8.230 nan 0.000 0.493 552 V N 2.895 122.911 119.914 0.170 0.000 2.735 552 V HA 0.919 4.993 4.120 -0.077 0.000 0.310 552 V C 0.222 176.455 176.094 0.232 0.000 1.061 552 V CA -0.172 62.169 62.300 0.067 0.000 0.913 552 V CB 1.732 33.447 31.823 -0.181 0.000 1.005 552 V HN 1.082 nan 8.190 nan 0.000 0.428 553 A N 3.577 126.456 122.820 0.097 0.000 2.443 553 A HA 0.924 5.198 4.320 -0.077 0.000 0.278 553 A C -0.743 176.518 177.584 -0.539 0.000 1.252 553 A CA -0.832 51.202 52.037 -0.004 0.000 0.816 553 A CB 1.064 20.061 19.000 -0.004 0.000 1.369 553 A HN 0.725 nan 8.150 nan 0.000 0.446 554 L N 0.541 121.289 121.223 -0.791 0.000 2.466 554 L HA 0.277 4.571 4.340 -0.077 0.000 0.257 554 L C -2.073 174.350 176.870 -0.745 0.000 1.189 554 L CA -1.685 52.422 54.840 -1.221 0.000 0.813 554 L CB 0.298 41.762 42.059 -0.992 0.000 1.118 554 L HN 0.378 nan 8.230 nan 0.000 0.471 555 P HA -0.104 nan 4.420 nan 0.000 0.264 555 P C -0.851 176.293 177.300 -0.260 0.000 1.183 555 P CA 0.472 63.269 63.100 -0.505 0.000 0.763 555 P CB 0.108 31.561 31.700 -0.410 0.000 0.807 556 W N 0.252 121.484 121.300 -0.114 0.000 2.303 556 W HA -0.198 4.420 4.660 -0.070 0.000 0.267 556 W C 0.416 176.884 176.519 -0.086 0.000 1.054 556 W CA 0.078 57.377 57.345 -0.077 0.000 0.501 556 W CB -2.225 27.190 29.460 -0.076 0.000 2.076 556 W HN 0.416 nan 8.180 nan 0.000 1.317 557 Q N 0.624 120.427 119.800 0.005 0.000 2.735 557 Q HA 0.123 4.417 4.340 -0.077 0.000 0.380 557 Q C 0.993 176.991 176.000 -0.004 0.000 1.060 557 Q CA 0.290 56.083 55.803 -0.017 0.000 1.025 557 Q CB 0.628 29.315 28.738 -0.086 0.000 1.350 557 Q HN 0.321 nan 8.270 nan 0.000 0.424 558 E N 1.357 121.576 120.200 0.031 0.000 2.072 558 E HA -0.192 4.112 4.350 -0.077 0.000 0.191 558 E C 1.813 178.452 176.600 0.065 0.000 0.985 558 E CA 1.221 57.656 56.400 0.057 0.000 0.801 558 E CB 0.242 30.006 29.700 0.106 0.000 0.750 558 E HN 0.457 nan 8.360 nan 0.000 0.452 559 E N 0.673 120.865 120.200 -0.013 0.000 2.150 559 E HA -0.165 4.138 4.350 -0.077 0.000 0.193 559 E C 2.111 178.756 176.600 0.074 0.000 0.985 559 E CA 0.656 57.007 56.400 -0.082 0.000 0.814 559 E CB -0.431 28.967 29.700 -0.503 0.000 0.752 559 E HN 0.236 nan 8.360 nan 0.000 0.466 560 L N 1.491 122.741 121.223 0.045 0.000 2.017 560 L HA -0.094 4.200 4.340 -0.077 0.000 0.208 560 L C 2.608 179.563 176.870 0.141 0.000 1.073 560 L CA 1.613 56.499 54.840 0.077 0.000 0.745 560 L CB -0.935 41.144 42.059 0.033 0.000 0.894 560 L HN 0.315 nan 8.230 nan 0.000 0.432 561 C N -0.463 118.913 119.300 0.126 0.000 2.393 561 C HA -0.218 4.196 4.460 -0.077 0.000 0.276 561 C C 2.802 177.921 174.990 0.215 0.000 1.215 561 C CA 1.432 60.553 59.018 0.172 0.000 1.743 561 C CB -1.138 26.664 27.740 0.103 0.000 2.044 561 C HN 0.622 nan 8.230 nan 0.000 0.464 562 L N 0.660 122.007 121.223 0.206 0.000 2.042 562 L HA -0.153 4.141 4.340 -0.077 0.000 0.210 562 L C 3.027 180.144 176.870 0.411 0.000 1.076 562 L CA 1.836 56.835 54.840 0.265 0.000 0.749 562 L CB -0.870 41.302 42.059 0.188 0.000 0.893 562 L HN 0.405 nan 8.230 nan 0.000 0.432 563 R N 0.369 121.125 120.500 0.427 0.000 2.103 563 R HA -0.262 4.032 4.340 -0.077 0.000 0.242 563 R C 2.344 178.765 176.300 0.201 0.000 1.142 563 R CA 2.133 58.376 56.100 0.239 0.000 0.960 563 R CB -0.770 29.621 30.300 0.151 0.000 0.858 563 R HN 0.376 nan 8.270 nan 0.000 0.439 564 F N 0.803 120.775 119.950 0.036 0.000 2.113 564 F HA -0.205 4.268 4.527 -0.089 0.000 0.297 564 F C 2.413 178.209 175.800 -0.005 0.000 1.103 564 F CA 1.417 59.401 58.000 -0.026 0.000 1.248 564 F CB -0.058 38.922 39.000 -0.034 0.000 0.999 564 F HN -0.012 nan 8.300 nan 0.000 0.475 565 M N 0.078 119.623 119.600 -0.091 0.000 2.108 565 M HA -0.261 4.173 4.480 -0.077 0.000 0.261 565 M C 2.336 178.586 176.300 -0.083 0.000 1.066 565 M CA 1.985 57.178 55.300 -0.178 0.000 1.107 565 M CB -0.646 31.930 32.600 -0.040 0.000 1.356 565 M HN 0.127 nan 8.290 nan 0.000 0.406 566 R N 0.499 121.027 120.500 0.046 0.000 2.105 566 R HA -0.228 4.066 4.340 -0.077 0.000 0.239 566 R C 1.964 178.262 176.300 -0.004 0.000 1.135 566 R CA 2.010 58.139 56.100 0.048 0.000 0.967 566 R CB -0.125 30.213 30.300 0.064 0.000 0.861 566 R HN 0.263 nan 8.270 nan 0.000 0.442 567 E N -0.077 120.119 120.200 -0.008 0.000 2.047 567 E HA -0.123 4.181 4.350 -0.077 0.000 0.191 567 E C 1.851 178.425 176.600 -0.044 0.000 0.987 567 E CA 1.605 58.013 56.400 0.013 0.000 0.799 567 E CB -0.134 29.608 29.700 0.070 0.000 0.752 567 E HN 0.182 nan 8.360 nan 0.000 0.449 568 V N 0.997 120.805 119.914 -0.177 0.000 2.220 568 V HA -0.299 3.775 4.120 -0.077 0.000 0.246 568 V C 2.421 178.450 176.094 -0.108 0.000 1.049 568 V CA 2.347 64.523 62.300 -0.206 0.000 1.003 568 V CB -0.731 30.856 31.823 -0.393 0.000 0.634 568 V HN 0.433 nan 8.190 nan 0.000 0.444 569 E N -0.434 119.709 120.200 -0.096 0.000 2.068 569 E HA -0.363 3.941 4.350 -0.077 0.000 0.207 569 E C 2.385 178.974 176.600 -0.019 0.000 1.032 569 E CA 2.202 58.576 56.400 -0.043 0.000 0.839 569 E CB -0.274 29.416 29.700 -0.017 0.000 0.758 569 E HN 0.530 nan 8.360 nan 0.000 0.457 570 Q N 0.153 119.948 119.800 -0.009 0.000 2.077 570 Q HA -0.195 4.099 4.340 -0.077 0.000 0.206 570 Q C 2.401 178.405 176.000 0.006 0.000 0.989 570 Q CA 1.645 57.452 55.803 0.006 0.000 0.853 570 Q CB -0.214 28.532 28.738 0.014 0.000 0.907 570 Q HN 0.434 nan 8.270 nan 0.000 0.418 571 L N -0.358 120.867 121.223 0.004 0.000 2.313 571 L HA -0.071 4.223 4.340 -0.077 0.000 0.214 571 L C 2.014 178.883 176.870 -0.002 0.000 1.119 571 L CA 0.290 55.136 54.840 0.009 0.000 0.809 571 L CB -0.098 41.976 42.059 0.024 0.000 0.933 571 L HN 0.205 nan 8.230 nan 0.000 0.449 572 M N -1.783 117.809 119.600 -0.014 0.000 2.382 572 M HA 0.199 4.633 4.480 -0.077 0.000 0.247 572 M C 0.499 176.796 176.300 -0.005 0.000 1.104 572 M CA 0.476 55.767 55.300 -0.015 0.000 1.030 572 M CB 0.096 32.676 32.600 -0.032 0.000 1.424 572 M HN -0.004 nan 8.290 nan 0.000 0.486 573 T N 0.000 114.555 114.554 0.001 0.000 3.816 573 T HA 0.000 4.304 4.350 -0.077 0.000 0.228 573 T CA 0.000 62.107 62.100 0.011 0.000 1.349 573 T CB 0.000 68.878 68.868 0.016 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658