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 3al0_1_A DATA FIRST_RESID 4 DATA SEQUENCE LDFRKLTIEE CLKLSEEERE KLPQLSLETI KRLDPHVKAF ISVRENVSVE DATA SEQUENCE KKGKFWGIPV AIKDNILTLG MRTTCASRIL ENYESVFDAT VVKKMKEAGF DATA SEQUENCE VVVGKANLDE FAMGSSTERS AFFPTRNPWD LERVPGGSSG GSAAAVSAGM DATA SEQUENCE VVAALGSDTG GSVRQPASLC GVVGYKPTYG LVSRYGLVAF ASSLDQIGPI DATA SEQUENCE TKTVRDAAIL MEIISGRDEN DATTVNRKVD FLSEIEEGVS GMKFAVPEEI DATA SEQUENCE YEHDIEEGVS ERFEEALKLL ERLGAKVERV KIPHIKYSVA TYYVIAPAEA DATA SEQUENCE SSNLARFDGV KYGLRIKEKG LREMYMKTRN VGFGEEVRRR IMIGTFTLSA DATA SEQUENCE AYYEAYFNKA MKVRRKISDE LNEVLSQYDA ILTPTSPVTA FKIGEIKDPL DATA SEQUENCE TYYLMDIFTI PANLAGLPAI SVPFGFSNNL PVGVQVIGRR FADGKVFRIA DATA SEQUENCE RAIEKNSPYN ENGMFPLPEV KA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.900 176.870 0.049 0.000 1.165 4 L CA 0.000 54.856 54.840 0.026 0.000 0.813 4 L CB 0.000 42.072 42.059 0.023 0.000 0.961 5 D N 2.025 122.457 120.400 0.053 0.000 2.312 5 D HA 0.137 4.777 4.640 0.001 0.000 0.252 5 D C 0.693 177.074 176.300 0.135 0.000 1.150 5 D CA 0.042 54.096 54.000 0.089 0.000 0.870 5 D CB 0.932 41.771 40.800 0.065 0.000 1.153 5 D HN 0.415 nan 8.370 nan 0.000 0.457 6 F N 4.265 124.207 119.950 -0.014 0.000 2.293 6 F HA -0.010 4.517 4.527 0.000 0.000 0.300 6 F C 1.982 177.775 175.800 -0.011 0.000 1.086 6 F CA 0.447 58.439 58.000 -0.013 0.000 1.375 6 F CB 0.167 39.158 39.000 -0.014 0.000 1.045 6 F HN 0.329 nan 8.300 nan 0.000 0.516 7 R N 1.395 122.035 120.500 0.233 0.000 2.294 7 R HA -0.147 4.193 4.340 0.001 0.000 0.250 7 R C -0.467 175.749 176.300 -0.140 0.000 1.181 7 R CA 1.372 57.492 56.100 0.033 0.000 1.016 7 R CB -0.167 30.189 30.300 0.093 0.000 0.869 7 R HN 0.381 nan 8.270 nan 0.000 0.476 8 K N -0.057 120.264 120.400 -0.132 0.000 2.553 8 K HA 0.363 4.683 4.320 0.001 0.000 0.250 8 K C -1.579 174.951 176.600 -0.116 0.000 0.953 8 K CA -1.006 55.209 56.287 -0.120 0.000 0.800 8 K CB 2.087 34.553 32.500 -0.056 0.000 1.243 8 K HN -0.058 nan 8.250 nan 0.000 0.435 9 L N 0.614 121.760 121.223 -0.129 0.000 2.868 9 L HA 0.096 4.437 4.340 0.001 0.000 0.235 9 L C -0.665 176.157 176.870 -0.079 0.000 0.993 9 L CA 0.072 54.850 54.840 -0.103 0.000 1.070 9 L CB 1.188 43.164 42.059 -0.139 0.000 1.371 9 L HN 0.824 nan 8.230 nan 0.000 0.554 10 T N 2.489 117.021 114.554 -0.037 0.000 2.898 10 T HA 0.074 4.424 4.350 0.001 0.000 0.331 10 T C 1.817 176.515 174.700 -0.004 0.000 1.085 10 T CA 0.978 63.073 62.100 -0.007 0.000 1.129 10 T CB 0.218 69.092 68.868 0.010 0.000 1.054 10 T HN 0.547 nan 8.240 nan 0.000 0.540 11 I N 2.416 123.011 120.570 0.042 0.000 2.315 11 I HA -0.150 4.020 4.170 0.001 0.000 0.251 11 I C 2.619 178.735 176.117 -0.002 0.000 1.125 11 I CA 1.783 63.128 61.300 0.075 0.000 1.392 11 I CB -0.344 37.792 38.000 0.227 0.000 1.065 11 I HN 0.803 nan 8.210 nan 0.000 0.424 12 E N 0.536 120.738 120.200 0.002 0.000 2.285 12 E HA -0.213 4.137 4.350 0.001 0.000 0.194 12 E C 1.959 178.513 176.600 -0.077 0.000 0.997 12 E CA 0.508 56.883 56.400 -0.043 0.000 0.845 12 E CB 0.207 29.906 29.700 -0.002 0.000 0.782 12 E HN 0.376 nan 8.360 nan 0.000 0.491 13 E N -0.672 119.493 120.200 -0.058 0.000 2.152 13 E HA -0.132 4.219 4.350 0.001 0.000 0.192 13 E C 1.667 178.208 176.600 -0.098 0.000 0.983 13 E CA 0.788 57.149 56.400 -0.064 0.000 0.818 13 E CB 0.039 29.713 29.700 -0.043 0.000 0.758 13 E HN 0.252 nan 8.360 nan 0.000 0.467 14 C N 0.206 119.436 119.300 -0.116 0.000 2.450 14 C HA -0.008 4.452 4.460 0.001 0.000 0.279 14 C C 2.360 177.191 174.990 -0.266 0.000 1.335 14 C CA 0.080 58.998 59.018 -0.167 0.000 1.749 14 C CB -0.954 26.694 27.740 -0.154 0.000 1.963 14 C HN 0.526 nan 8.230 nan 0.000 0.501 15 L N 0.809 121.859 121.223 -0.289 0.000 2.119 15 L HA -0.204 4.136 4.340 0.001 0.000 0.226 15 L C 1.001 177.661 176.870 -0.350 0.000 1.093 15 L CA 1.839 56.446 54.840 -0.388 0.000 0.806 15 L CB -0.463 41.416 42.059 -0.300 0.000 0.902 15 L HN 0.524 nan 8.230 nan 0.000 0.444 16 K N -0.368 119.884 120.400 -0.246 0.000 2.656 16 K HA 0.451 4.771 4.320 0.001 0.000 0.253 16 K C -1.098 175.415 176.600 -0.145 0.000 1.002 16 K CA -0.394 55.774 56.287 -0.198 0.000 0.880 16 K CB 1.038 33.449 32.500 -0.149 0.000 1.232 16 K HN 0.144 nan 8.250 nan 0.000 0.456 17 L N 1.176 122.314 121.223 -0.141 0.000 2.742 17 L HA 0.203 4.543 4.340 0.001 0.000 0.317 17 L C -0.526 176.307 176.870 -0.062 0.000 1.306 17 L CA -0.498 54.288 54.840 -0.090 0.000 0.692 17 L CB 0.689 42.696 42.059 -0.086 0.000 1.065 17 L HN 0.932 nan 8.230 nan 0.000 0.538 18 S N 0.617 116.289 115.700 -0.047 0.000 3.089 18 S HA -0.172 4.299 4.470 0.001 0.000 0.857 18 S C 1.118 175.742 174.600 0.041 0.000 1.012 18 S CA 0.819 59.017 58.200 -0.003 0.000 1.286 18 S CB 0.139 63.341 63.200 0.005 0.000 0.913 18 S HN 0.764 nan 8.310 nan 0.000 0.247 19 E N 2.953 123.209 120.200 0.094 0.000 2.130 19 E HA -0.182 4.168 4.350 0.001 0.000 0.196 19 E C 1.616 178.327 176.600 0.185 0.000 0.998 19 E CA 2.595 59.117 56.400 0.204 0.000 0.806 19 E CB -0.025 29.771 29.700 0.160 0.000 0.738 19 E HN 0.713 nan 8.360 nan 0.000 0.459 20 E N 0.259 120.518 120.200 0.099 0.000 2.033 20 E HA -0.124 4.226 4.350 0.001 0.000 0.189 20 E C 2.160 178.803 176.600 0.072 0.000 0.979 20 E CA 1.031 57.476 56.400 0.075 0.000 0.802 20 E CB -0.324 29.401 29.700 0.041 0.000 0.763 20 E HN 0.473 nan 8.360 nan 0.000 0.449 21 E N 0.800 121.028 120.200 0.046 0.000 2.118 21 E HA -0.196 4.155 4.350 0.001 0.000 0.195 21 E C 2.146 178.762 176.600 0.027 0.000 0.992 21 E CA 0.831 57.246 56.400 0.024 0.000 0.804 21 E CB -0.146 29.556 29.700 0.003 0.000 0.741 21 E HN 0.042 nan 8.360 nan 0.000 0.458 22 R N 1.433 121.951 120.500 0.029 0.000 2.300 22 R HA -0.046 4.295 4.340 0.001 0.000 0.199 22 R C 1.655 178.013 176.300 0.097 0.000 0.920 22 R CA 0.420 56.505 56.100 -0.024 0.000 1.046 22 R CB 0.230 30.392 30.300 -0.231 0.000 0.984 22 R HN 0.198 nan 8.270 nan 0.000 0.493 23 E N -0.119 120.215 120.200 0.223 0.000 2.489 23 E HA -0.061 4.289 4.350 0.001 0.000 0.193 23 E C 0.662 177.350 176.600 0.147 0.000 1.057 23 E CA 0.328 56.906 56.400 0.296 0.000 0.866 23 E CB 0.301 30.142 29.700 0.236 0.000 0.916 23 E HN 0.214 nan 8.360 nan 0.000 0.500 24 K N 0.304 120.757 120.400 0.089 0.000 2.367 24 K HA 0.170 4.490 4.320 0.001 0.000 0.194 24 K C 1.726 178.342 176.600 0.026 0.000 1.027 24 K CA -0.110 56.198 56.287 0.035 0.000 1.075 24 K CB 0.263 32.764 32.500 0.000 0.000 0.845 24 K HN 0.136 nan 8.250 nan 0.000 0.529 25 L N 1.262 122.531 121.223 0.077 0.000 2.083 25 L HA -0.121 4.220 4.340 0.001 0.000 0.209 25 L C -1.017 175.947 176.870 0.157 0.000 1.083 25 L CA 1.376 56.297 54.840 0.134 0.000 0.752 25 L CB -0.693 41.446 42.059 0.134 0.000 0.899 25 L HN 0.079 nan 8.230 nan 0.000 0.433 26 P HA -0.196 nan 4.420 nan 0.000 0.212 26 P C 1.279 178.614 177.300 0.057 0.000 1.180 26 P CA 0.951 64.118 63.100 0.112 0.000 0.906 26 P CB 0.034 31.799 31.700 0.108 0.000 0.782 27 Q N 0.235 120.048 119.800 0.022 0.000 1.998 27 Q HA -0.163 4.177 4.340 0.001 0.000 0.209 27 Q C 1.465 177.416 176.000 -0.082 0.000 1.002 27 Q CA 1.758 57.547 55.803 -0.023 0.000 0.858 27 Q CB -1.585 27.137 28.738 -0.027 0.000 0.932 27 Q HN 0.103 nan 8.270 nan 0.000 0.416 28 L N 0.720 121.849 121.223 -0.155 0.000 2.949 28 L HA 0.016 4.356 4.340 0.001 0.000 0.263 28 L C 1.421 177.977 176.870 -0.523 0.000 1.190 28 L CA 0.681 55.304 54.840 -0.362 0.000 1.022 28 L CB -0.322 41.451 42.059 -0.477 0.000 1.313 28 L HN 0.204 nan 8.230 nan 0.000 0.413 29 S N -1.186 114.448 115.700 -0.111 0.000 2.665 29 S HA 0.112 4.582 4.470 0.001 0.000 0.240 29 S C 1.523 176.141 174.600 0.029 0.000 1.081 29 S CA -0.172 58.123 58.200 0.159 0.000 0.887 29 S CB 0.149 63.519 63.200 0.284 0.000 0.805 29 S HN 0.447 nan 8.310 nan 0.000 0.486 30 L N 1.591 122.798 121.223 -0.026 0.000 2.179 30 L HA 0.262 4.602 4.340 0.001 0.000 0.208 30 L C 2.258 179.082 176.870 -0.076 0.000 1.096 30 L CA 1.517 56.318 54.840 -0.064 0.000 0.779 30 L CB -0.307 41.727 42.059 -0.042 0.000 0.922 30 L HN 0.414 nan 8.230 nan 0.000 0.443 31 E N -0.523 119.625 120.200 -0.087 0.000 2.051 31 E HA -0.263 4.087 4.350 0.001 0.000 0.192 31 E C 1.984 178.529 176.600 -0.092 0.000 0.991 31 E CA 1.873 58.216 56.400 -0.095 0.000 0.799 31 E CB -0.051 29.574 29.700 -0.124 0.000 0.748 31 E HN 0.637 nan 8.360 nan 0.000 0.449 32 T N -1.100 113.390 114.554 -0.107 0.000 2.995 32 T HA -0.038 4.312 4.350 0.001 0.000 0.269 32 T C 1.952 176.638 174.700 -0.024 0.000 1.091 32 T CA 0.565 62.636 62.100 -0.049 0.000 1.128 32 T CB -0.210 68.671 68.868 0.021 0.000 0.891 32 T HN 0.134 nan 8.240 nan 0.000 0.492 33 I N 0.843 121.374 120.570 -0.064 0.000 2.163 33 I HA -0.125 4.045 4.170 0.001 0.000 0.240 33 I C 2.832 178.903 176.117 -0.075 0.000 1.081 33 I CA 1.400 62.629 61.300 -0.117 0.000 1.353 33 I CB -0.313 37.540 38.000 -0.245 0.000 1.054 33 I HN 0.274 nan 8.210 nan 0.000 0.407 34 K N 0.153 120.514 120.400 -0.064 0.000 2.127 34 K HA -0.226 4.095 4.320 0.001 0.000 0.208 34 K C 2.231 178.820 176.600 -0.019 0.000 1.047 34 K CA 1.488 57.751 56.287 -0.040 0.000 0.927 34 K CB -0.050 32.428 32.500 -0.037 0.000 0.716 34 K HN 0.297 nan 8.250 nan 0.000 0.450 35 R N 0.380 120.874 120.500 -0.010 0.000 2.056 35 R HA -0.018 4.322 4.340 0.001 0.000 0.220 35 R C 2.439 178.773 176.300 0.056 0.000 1.187 35 R CA 0.852 56.964 56.100 0.020 0.000 0.932 35 R CB -0.825 29.482 30.300 0.012 0.000 0.821 35 R HN 0.157 nan 8.270 nan 0.000 0.449 36 L N 1.416 122.667 121.223 0.045 0.000 1.990 36 L HA -0.282 4.059 4.340 0.001 0.000 0.213 36 L C 2.221 179.149 176.870 0.096 0.000 1.072 36 L CA 1.902 56.783 54.840 0.070 0.000 0.755 36 L CB -0.523 41.562 42.059 0.044 0.000 0.889 36 L HN 0.285 nan 8.230 nan 0.000 0.432 37 D N -0.524 119.900 120.400 0.040 0.000 2.160 37 D HA -0.206 4.434 4.640 0.001 0.000 0.189 37 D C -0.615 175.712 176.300 0.044 0.000 1.003 37 D CA 2.024 56.048 54.000 0.041 0.000 0.846 37 D CB -1.225 39.567 40.800 -0.014 0.000 0.949 37 D HN 0.193 nan 8.370 nan 0.000 0.446 38 P HA -0.173 nan 4.420 nan 0.000 0.218 38 P C 1.053 178.273 177.300 -0.132 0.000 1.147 38 P CA 1.347 64.391 63.100 -0.092 0.000 0.827 38 P CB -0.151 31.472 31.700 -0.128 0.000 0.778 39 H N -1.452 117.611 119.070 -0.013 0.000 2.306 39 H HA -0.011 4.545 4.556 0.001 0.000 0.307 39 H C 1.913 177.248 175.328 0.011 0.000 1.061 39 H CA 1.847 57.894 56.048 -0.001 0.000 1.359 39 H CB -0.591 29.178 29.762 0.011 0.000 1.407 39 H HN 0.015 nan 8.280 nan 0.000 0.517 40 V N -0.081 119.932 119.914 0.165 0.000 2.453 40 V HA -0.035 4.085 4.120 0.001 0.000 0.247 40 V C 0.902 177.062 176.094 0.111 0.000 1.048 40 V CA 0.892 63.266 62.300 0.122 0.000 1.049 40 V CB -0.646 31.246 31.823 0.115 0.000 0.672 40 V HN 0.258 nan 8.190 nan 0.000 0.457 41 K N 0.239 120.693 120.400 0.091 0.000 4.361 41 K HA -0.175 4.146 4.320 0.001 0.000 0.294 41 K C 0.348 177.107 176.600 0.264 0.000 0.970 41 K CA 0.781 57.110 56.287 0.070 0.000 0.913 41 K CB -1.428 31.016 32.500 -0.092 0.000 1.583 41 K HN 0.809 nan 8.250 nan 0.000 0.438 42 A N 1.444 124.450 122.820 0.310 0.000 2.358 42 A HA 0.375 4.695 4.320 0.001 0.000 0.223 42 A C -0.264 177.436 177.584 0.192 0.000 1.218 42 A CA 0.023 52.222 52.037 0.270 0.000 0.942 42 A CB 0.407 19.556 19.000 0.249 0.000 1.005 42 A HN 0.222 nan 8.150 nan 0.000 0.514 43 F N -0.275 119.757 119.950 0.136 0.000 2.482 43 F HA 0.509 5.037 4.527 0.000 0.000 0.331 43 F C 0.987 176.849 175.800 0.104 0.000 1.115 43 F CA -0.831 57.216 58.000 0.078 0.000 0.955 43 F CB 1.620 40.649 39.000 0.048 0.000 1.136 43 F HN -0.011 nan 8.300 nan 0.000 0.452 44 I N 0.117 120.720 120.570 0.056 0.000 3.265 44 I HA -0.027 4.144 4.170 0.001 0.000 0.282 44 I C 1.311 177.391 176.117 -0.062 0.000 1.207 44 I CA 0.576 61.804 61.300 -0.119 0.000 1.449 44 I CB 0.055 37.777 38.000 -0.464 0.000 1.121 44 I HN 0.479 nan 8.210 nan 0.000 0.442 45 S N -0.145 115.572 115.700 0.028 0.000 2.738 45 S HA 0.195 4.665 4.470 0.001 0.000 0.216 45 S C 0.322 174.989 174.600 0.112 0.000 0.968 45 S CA -0.086 58.143 58.200 0.049 0.000 0.879 45 S CB 0.621 63.832 63.200 0.019 0.000 0.837 45 S HN 0.052 nan 8.310 nan 0.000 0.622 46 V N 3.347 123.379 119.914 0.198 0.000 3.625 46 V HA -0.163 3.958 4.120 0.001 0.000 0.501 46 V C 0.182 176.312 176.094 0.060 0.000 0.682 46 V CA -0.096 62.273 62.300 0.115 0.000 2.035 46 V CB -1.020 30.822 31.823 0.030 0.000 2.457 46 V HN 0.567 nan 8.190 nan 0.000 0.508 47 R N 4.563 125.096 120.500 0.054 0.000 2.862 47 R HA 0.091 4.431 4.340 0.001 0.000 0.267 47 R C 1.490 177.802 176.300 0.020 0.000 0.995 47 R CA 0.978 57.100 56.100 0.036 0.000 1.140 47 R CB 0.420 30.744 30.300 0.039 0.000 1.031 47 R HN 0.880 nan 8.270 nan 0.000 0.459 48 E N 1.747 121.957 120.200 0.016 0.000 3.677 48 E HA -0.139 4.211 4.350 0.001 0.000 0.523 48 E C -0.333 176.271 176.600 0.006 0.000 0.493 48 E CA 0.501 56.907 56.400 0.010 0.000 3.274 48 E CB -0.317 29.389 29.700 0.009 0.000 1.915 48 E HN 0.506 nan 8.360 nan 0.000 0.413 49 N N -0.123 118.580 118.700 0.005 0.000 2.750 49 N HA 0.263 5.003 4.740 0.001 0.000 0.253 49 N C -1.384 174.130 175.510 0.007 0.000 1.408 49 N CA -0.181 52.872 53.050 0.004 0.000 0.780 49 N CB 1.117 39.602 38.487 -0.002 0.000 1.191 49 N HN 0.141 nan 8.380 nan 0.000 0.511 50 V N -0.680 119.242 119.914 0.013 0.000 2.837 50 V HA 0.680 4.801 4.120 0.001 0.000 0.310 50 V C 0.707 176.813 176.094 0.020 0.000 1.059 50 V CA -0.700 61.609 62.300 0.014 0.000 1.004 50 V CB 1.753 33.586 31.823 0.017 0.000 1.045 50 V HN 0.300 nan 8.190 nan 0.000 0.465 51 S N 0.559 116.268 115.700 0.015 0.000 2.677 51 S HA 0.820 5.290 4.470 0.001 0.000 0.304 51 S C -0.785 173.824 174.600 0.014 0.000 1.108 51 S CA -0.505 57.705 58.200 0.016 0.000 0.944 51 S CB 1.950 65.150 63.200 0.001 0.000 1.127 51 S HN 0.571 nan 8.310 nan 0.000 0.511 52 V N 2.673 122.597 119.914 0.017 0.000 2.630 52 V HA 0.544 4.664 4.120 0.001 0.000 0.305 52 V C -0.130 175.905 176.094 -0.098 0.000 1.046 52 V CA -0.479 61.827 62.300 0.010 0.000 0.934 52 V CB 1.524 33.411 31.823 0.106 0.000 1.003 52 V HN 0.984 nan 8.190 nan 0.000 0.451 53 E N 2.500 122.594 120.200 -0.177 0.000 3.076 53 E HA 0.398 4.749 4.350 0.001 0.000 0.279 53 E C 0.270 176.470 176.600 -0.667 0.000 0.945 53 E CA -0.352 55.858 56.400 -0.317 0.000 1.046 53 E CB 0.336 29.916 29.700 -0.200 0.000 2.828 53 E HN 0.727 nan 8.360 nan 0.000 0.582 54 K N -0.346 119.733 120.400 -0.535 0.000 1.801 54 K HA 0.436 4.756 4.320 0.001 0.000 0.309 54 K C -0.926 175.521 176.600 -0.255 0.000 0.932 54 K CA -0.886 54.967 56.287 -0.723 0.000 0.487 54 K CB 0.086 32.280 32.500 -0.510 0.000 3.409 54 K HN -0.030 nan 8.250 nan 0.000 1.215 55 K N 1.372 121.704 120.400 -0.114 0.000 5.135 55 K HA -0.130 4.190 4.320 0.001 0.000 0.556 55 K C -0.446 176.227 176.600 0.122 0.000 1.469 55 K CA 1.332 57.630 56.287 0.018 0.000 1.255 55 K CB -1.315 31.189 32.500 0.006 0.000 1.862 55 K HN 0.949 nan 8.250 nan 0.000 0.289 56 G N 1.829 110.738 108.800 0.181 0.000 3.014 56 G HA2 -0.144 3.816 3.960 0.001 0.000 0.683 56 G HA3 -0.144 3.816 3.960 0.001 0.000 0.683 56 G C 0.180 175.249 174.900 0.282 0.000 1.271 56 G CA -0.068 45.165 45.100 0.221 0.000 0.843 56 G HN 0.495 nan 8.290 nan 0.000 0.612 57 K N 0.502 121.056 120.400 0.257 0.000 2.107 57 K HA -0.073 4.247 4.320 0.001 0.000 0.211 57 K C 1.056 177.680 176.600 0.039 0.000 1.049 57 K CA 1.945 58.357 56.287 0.209 0.000 0.927 57 K CB -0.164 32.561 32.500 0.374 0.000 0.714 57 K HN 0.455 nan 8.250 nan 0.000 0.452 58 F N 1.336 121.211 119.950 -0.125 0.000 2.923 58 F HA 0.190 4.717 4.527 0.001 0.000 0.314 58 F C 0.508 176.035 175.800 -0.455 0.000 1.196 58 F CA -1.458 56.321 58.000 -0.369 0.000 1.320 58 F CB 0.183 38.883 39.000 -0.501 0.000 0.953 58 F HN 0.140 nan 8.300 nan 0.000 0.505 59 W N -0.245 120.974 121.300 -0.136 0.000 1.777 59 W HA 0.474 5.134 4.660 0.001 0.000 0.376 59 W C 0.922 177.355 176.519 -0.142 0.000 1.628 59 W CA 0.179 57.446 57.345 -0.130 0.000 1.760 59 W CB -0.442 28.983 29.460 -0.058 0.000 1.367 59 W HN 0.362 nan 8.180 nan 0.000 0.722 60 G N 0.680 109.786 108.800 0.510 0.000 2.530 60 G HA2 -0.372 3.588 3.960 0.001 0.000 0.247 60 G HA3 -0.372 3.588 3.960 0.001 0.000 0.247 60 G C 0.339 175.285 174.900 0.077 0.000 1.067 60 G CA 0.723 46.007 45.100 0.306 0.000 0.650 60 G HN 0.589 nan 8.290 nan 0.000 0.531 61 I N 4.362 124.884 120.570 -0.079 0.000 2.576 61 I HA 0.181 4.351 4.170 0.001 0.000 0.288 61 I C -1.639 174.552 176.117 0.124 0.000 1.126 61 I CA -1.293 59.976 61.300 -0.052 0.000 1.362 61 I CB 0.370 38.235 38.000 -0.225 0.000 1.419 61 I HN 0.073 nan 8.210 nan 0.000 0.533 62 P HA 0.192 nan 4.420 nan 0.000 0.281 62 P C -0.536 176.896 177.300 0.221 0.000 1.252 62 P CA -0.055 63.161 63.100 0.193 0.000 0.778 62 P CB 1.518 33.325 31.700 0.179 0.000 0.895 63 V N 0.211 120.265 119.914 0.234 0.000 3.113 63 V HA 0.984 5.105 4.120 0.001 0.000 0.316 63 V C -0.449 175.752 176.094 0.178 0.000 1.125 63 V CA -1.517 60.899 62.300 0.193 0.000 1.026 63 V CB 1.504 33.423 31.823 0.159 0.000 1.080 63 V HN 0.689 nan 8.190 nan 0.000 0.444 64 A N 1.768 124.676 122.820 0.147 0.000 2.386 64 A HA 0.938 5.258 4.320 0.001 0.000 0.311 64 A C -1.029 176.553 177.584 -0.004 0.000 1.068 64 A CA -0.650 51.472 52.037 0.141 0.000 0.743 64 A CB 1.560 20.717 19.000 0.262 0.000 1.258 64 A HN 1.518 nan 8.150 nan 0.000 0.429 65 I N 1.167 121.702 120.570 -0.058 0.000 2.569 65 I HA 0.412 4.583 4.170 0.001 0.000 0.290 65 I C -0.078 175.958 176.117 -0.135 0.000 1.088 65 I CA -0.713 60.534 61.300 -0.088 0.000 1.047 65 I CB 1.606 39.568 38.000 -0.062 0.000 1.237 65 I HN 0.782 nan 8.210 nan 0.000 0.421 66 K N 5.183 125.505 120.400 -0.131 0.000 2.511 66 K HA -0.148 4.173 4.320 0.001 0.000 0.277 66 K C 0.305 176.828 176.600 -0.128 0.000 1.025 66 K CA 0.487 56.691 56.287 -0.137 0.000 1.112 66 K CB 0.351 32.797 32.500 -0.090 0.000 0.859 66 K HN 0.610 nan 8.250 nan 0.000 0.485 67 D N 2.765 123.069 120.400 -0.160 0.000 2.346 67 D HA -0.063 4.577 4.640 0.001 0.000 0.248 67 D C 0.346 176.573 176.300 -0.121 0.000 1.173 67 D CA 0.250 54.158 54.000 -0.152 0.000 0.878 67 D CB -0.156 40.522 40.800 -0.204 0.000 0.919 67 D HN 0.578 nan 8.370 nan 0.000 0.513 68 N N 0.175 118.826 118.700 -0.081 0.000 2.238 68 N HA 0.018 4.758 4.740 0.001 0.000 0.222 68 N C -0.220 175.291 175.510 0.001 0.000 1.133 68 N CA -0.195 52.840 53.050 -0.025 0.000 0.854 68 N CB 0.009 38.508 38.487 0.021 0.000 1.041 68 N HN 0.144 nan 8.380 nan 0.000 0.510 69 I N 1.845 122.391 120.570 -0.040 0.000 2.464 69 I HA 0.184 4.355 4.170 0.001 0.000 0.277 69 I C -0.034 176.021 176.117 -0.103 0.000 1.040 69 I CA -0.882 60.385 61.300 -0.056 0.000 1.153 69 I CB 1.343 39.309 38.000 -0.057 0.000 1.274 69 I HN -0.089 nan 8.210 nan 0.000 0.469 70 L N 5.824 126.959 121.223 -0.146 0.000 2.795 70 L HA -0.106 4.234 4.340 0.001 0.000 0.290 70 L C 0.654 177.366 176.870 -0.263 0.000 1.206 70 L CA 1.444 56.126 54.840 -0.263 0.000 0.919 70 L CB -0.522 41.172 42.059 -0.608 0.000 1.227 70 L HN 0.689 nan 8.230 nan 0.000 0.483 71 T N 2.204 116.641 114.554 -0.195 0.000 3.133 71 T HA 0.299 4.649 4.350 0.001 0.000 0.368 71 T C -0.070 174.559 174.700 -0.120 0.000 1.190 71 T CA -0.773 61.243 62.100 -0.140 0.000 1.282 71 T CB 0.601 69.416 68.868 -0.089 0.000 1.042 71 T HN 0.484 nan 8.240 nan 0.000 0.536 72 L N 3.065 124.217 121.223 -0.118 0.000 2.667 72 L HA 0.273 4.613 4.340 0.001 0.000 0.296 72 L C 1.319 178.159 176.870 -0.050 0.000 1.252 72 L CA 2.354 57.153 54.840 -0.068 0.000 0.891 72 L CB -0.158 41.890 42.059 -0.017 0.000 1.141 72 L HN 1.109 nan 8.230 nan 0.000 0.501 73 G N 3.577 112.347 108.800 -0.050 0.000 2.254 73 G HA2 -0.260 3.701 3.960 0.001 0.000 0.225 73 G HA3 -0.260 3.701 3.960 0.001 0.000 0.225 73 G C 0.027 174.902 174.900 -0.043 0.000 1.003 73 G CA 0.222 45.302 45.100 -0.034 0.000 0.622 73 G HN 0.576 nan 8.290 nan 0.000 0.507 74 M N 0.640 120.201 119.600 -0.065 0.000 2.215 74 M HA 0.411 4.891 4.480 0.001 0.000 0.251 74 M C -0.209 176.033 176.300 -0.096 0.000 0.987 74 M CA -0.747 54.516 55.300 -0.062 0.000 1.025 74 M CB 1.947 34.526 32.600 -0.035 0.000 2.064 74 M HN 0.202 nan 8.290 nan 0.000 0.473 75 R N 1.271 121.706 120.500 -0.109 0.000 3.651 75 R HA -0.071 4.270 4.340 0.001 0.000 0.201 75 R C -0.396 175.842 176.300 -0.103 0.000 0.627 75 R CA 0.761 56.786 56.100 -0.125 0.000 0.952 75 R CB -0.680 29.580 30.300 -0.066 0.000 1.005 75 R HN 0.465 nan 8.270 nan 0.000 0.327 76 T N 1.636 116.131 114.554 -0.099 0.000 2.882 76 T HA 0.270 4.620 4.350 0.001 0.000 0.287 76 T C 1.274 175.988 174.700 0.022 0.000 0.992 76 T CA -0.023 62.054 62.100 -0.038 0.000 1.076 76 T CB 1.648 70.518 68.868 0.004 0.000 0.961 76 T HN 0.763 nan 8.240 nan 0.000 0.490 77 T N -2.045 112.469 114.554 -0.067 0.000 3.131 77 T HA 0.052 4.402 4.350 0.001 0.000 0.283 77 T C 1.281 175.824 174.700 -0.262 0.000 0.906 77 T CA 0.324 62.357 62.100 -0.112 0.000 0.882 77 T CB -0.612 68.181 68.868 -0.125 0.000 1.208 77 T HN 0.704 nan 8.240 nan 0.000 0.561 78 C N 2.133 121.274 119.300 -0.265 0.000 4.191 78 C HA -0.025 4.435 4.460 0.001 0.000 0.287 78 C C 1.517 176.246 174.990 -0.434 0.000 1.494 78 C CA 0.691 59.475 59.018 -0.389 0.000 1.999 78 C CB -2.741 24.571 27.740 -0.715 0.000 1.363 78 C HN 2.043 nan 8.230 nan 0.000 0.788 79 A N -0.529 122.100 122.820 -0.319 0.000 2.251 79 A HA 0.119 4.439 4.320 0.001 0.000 0.283 79 A C 0.314 177.767 177.584 -0.217 0.000 1.415 79 A CA 1.422 53.322 52.037 -0.229 0.000 0.742 79 A CB -1.202 17.656 19.000 -0.236 0.000 1.151 79 A HN 2.088 nan 8.150 nan 0.000 0.354 80 S N -1.090 114.480 115.700 -0.217 0.000 2.563 80 S HA 0.549 5.019 4.470 0.001 0.000 0.279 80 S C 0.861 175.397 174.600 -0.107 0.000 1.155 80 S CA -0.161 57.917 58.200 -0.204 0.000 0.928 80 S CB 1.003 63.925 63.200 -0.464 0.000 1.107 80 S HN 0.594 nan 8.310 nan 0.000 0.462 81 R N 2.423 122.893 120.500 -0.049 0.000 2.170 81 R HA -0.022 4.318 4.340 0.001 0.000 0.242 81 R C 1.848 178.122 176.300 -0.043 0.000 1.145 81 R CA 1.695 57.768 56.100 -0.045 0.000 0.984 81 R CB -0.231 30.034 30.300 -0.059 0.000 0.869 81 R HN 0.731 nan 8.270 nan 0.000 0.455 82 I N 0.111 120.644 120.570 -0.062 0.000 3.001 82 I HA -0.152 4.018 4.170 0.001 0.000 0.268 82 I C 0.926 177.020 176.117 -0.037 0.000 1.267 82 I CA 0.855 62.104 61.300 -0.085 0.000 1.472 82 I CB 0.380 38.252 38.000 -0.212 0.000 1.089 82 I HN 0.154 nan 8.210 nan 0.000 0.468 83 L N -0.145 121.039 121.223 -0.065 0.000 3.174 83 L HA 0.244 4.584 4.340 0.001 0.000 0.283 83 L C 1.044 177.927 176.870 0.021 0.000 1.187 83 L CA -0.086 54.724 54.840 -0.049 0.000 1.018 83 L CB -0.057 41.866 42.059 -0.226 0.000 1.433 83 L HN 0.215 nan 8.230 nan 0.000 0.593 84 E N 0.489 120.706 120.200 0.029 0.000 2.563 84 E HA -0.117 4.234 4.350 0.001 0.000 0.260 84 E C 0.466 177.142 176.600 0.128 0.000 1.391 84 E CA 0.406 56.864 56.400 0.096 0.000 1.079 84 E CB -0.154 29.665 29.700 0.197 0.000 0.984 84 E HN 0.417 nan 8.360 nan 0.000 0.563 85 N N -2.264 116.509 118.700 0.122 0.000 2.713 85 N HA -0.351 4.389 4.740 0.001 0.000 0.251 85 N C -1.079 174.526 175.510 0.159 0.000 1.117 85 N CA 1.688 54.808 53.050 0.116 0.000 0.770 85 N CB -2.235 36.316 38.487 0.106 0.000 1.137 85 N HN 0.633 nan 8.380 nan 0.000 0.566 86 Y N 1.597 121.908 120.300 0.020 0.000 2.575 86 Y HA 0.298 4.848 4.550 0.000 0.000 0.326 86 Y C -0.281 175.613 175.900 -0.009 0.000 0.979 86 Y CA -1.156 56.950 58.100 0.010 0.000 1.286 86 Y CB 0.655 39.106 38.460 -0.014 0.000 1.093 86 Y HN 0.196 nan 8.280 nan 0.000 0.501 87 E N 3.324 123.273 120.200 -0.417 0.000 2.480 87 E HA 0.030 4.380 4.350 0.001 0.000 0.258 87 E C -0.174 175.947 176.600 -0.798 0.000 0.984 87 E CA -0.006 56.126 56.400 -0.446 0.000 0.930 87 E CB 0.701 30.281 29.700 -0.200 0.000 0.936 87 E HN 0.602 nan 8.360 nan 0.000 0.466 88 S N 1.381 116.747 115.700 -0.558 0.000 2.560 88 S HA 0.039 4.510 4.470 0.001 0.000 0.276 88 S C 1.169 175.666 174.600 -0.172 0.000 1.350 88 S CA 0.026 57.983 58.200 -0.405 0.000 1.024 88 S CB 0.734 63.800 63.200 -0.224 0.000 0.864 88 S HN 0.646 nan 8.310 nan 0.000 0.536 89 V N -1.541 118.440 119.914 0.112 0.000 3.330 89 V HA 0.594 4.715 4.120 0.001 0.000 0.309 89 V C -0.406 175.948 176.094 0.434 0.000 1.481 89 V CA -0.437 62.000 62.300 0.227 0.000 1.068 89 V CB -1.112 30.836 31.823 0.208 0.000 0.935 89 V HN 0.815 nan 8.190 nan 0.000 0.453 90 F N -2.426 117.538 119.950 0.022 0.000 2.704 90 F HA 0.618 5.146 4.527 0.001 0.000 0.312 90 F C -1.471 174.373 175.800 0.073 0.000 1.108 90 F CA -0.981 57.061 58.000 0.070 0.000 1.005 90 F CB 0.609 39.688 39.000 0.131 0.000 1.277 90 F HN -0.182 nan 8.300 nan 0.000 0.445 91 D N 3.290 123.675 120.400 -0.025 0.000 2.358 91 D HA 0.386 5.026 4.640 0.001 0.000 0.258 91 D C 0.487 176.717 176.300 -0.117 0.000 1.223 91 D CA 0.550 54.481 54.000 -0.115 0.000 0.886 91 D CB 1.706 42.501 40.800 -0.010 0.000 1.120 91 D HN 0.923 nan 8.370 nan 0.000 0.482 92 A N 2.666 125.328 122.820 -0.264 0.000 2.586 92 A HA 0.025 4.345 4.320 0.001 0.000 0.231 92 A C 1.681 179.299 177.584 0.057 0.000 1.055 92 A CA 0.429 52.417 52.037 -0.081 0.000 0.756 92 A CB 0.085 19.016 19.000 -0.114 0.000 0.988 92 A HN 0.656 nan 8.150 nan 0.000 0.509 93 T N 0.375 115.027 114.554 0.164 0.000 2.788 93 T HA -0.169 4.181 4.350 0.001 0.000 0.268 93 T C 1.600 176.314 174.700 0.022 0.000 1.044 93 T CA 1.610 63.755 62.100 0.074 0.000 1.139 93 T CB -1.168 67.726 68.868 0.044 0.000 0.867 93 T HN 0.722 nan 8.240 nan 0.000 0.454 94 V N 1.249 121.171 119.914 0.013 0.000 2.332 94 V HA -0.141 3.979 4.120 0.001 0.000 0.248 94 V C 2.779 178.848 176.094 -0.043 0.000 1.055 94 V CA 1.460 63.743 62.300 -0.027 0.000 1.038 94 V CB -1.390 30.411 31.823 -0.036 0.000 0.651 94 V HN 0.410 nan 8.190 nan 0.000 0.450 95 V N -0.213 119.681 119.914 -0.034 0.000 2.453 95 V HA -0.160 3.960 4.120 0.001 0.000 0.247 95 V C 2.540 178.631 176.094 -0.005 0.000 1.048 95 V CA 2.019 64.301 62.300 -0.031 0.000 1.049 95 V CB -0.697 31.101 31.823 -0.042 0.000 0.672 95 V HN 0.488 nan 8.190 nan 0.000 0.457 96 K N 0.928 121.331 120.400 0.004 0.000 2.032 96 K HA -0.171 4.150 4.320 0.001 0.000 0.209 96 K C 2.131 178.743 176.600 0.020 0.000 1.048 96 K CA 1.615 57.914 56.287 0.020 0.000 0.927 96 K CB -0.241 32.275 32.500 0.027 0.000 0.712 96 K HN 0.321 nan 8.250 nan 0.000 0.441 97 K N -0.420 119.982 120.400 0.004 0.000 2.211 97 K HA -0.076 4.244 4.320 0.001 0.000 0.203 97 K C 2.042 178.644 176.600 0.003 0.000 1.050 97 K CA 1.011 57.296 56.287 -0.002 0.000 0.945 97 K CB -0.069 32.416 32.500 -0.025 0.000 0.732 97 K HN 0.217 nan 8.250 nan 0.000 0.451 98 M N 1.063 120.655 119.600 -0.014 0.000 2.081 98 M HA -0.107 4.374 4.480 0.001 0.000 0.261 98 M C 1.931 178.327 176.300 0.160 0.000 1.075 98 M CA 1.632 56.928 55.300 -0.006 0.000 1.133 98 M CB -0.684 31.863 32.600 -0.088 0.000 1.330 98 M HN 0.030 nan 8.290 nan 0.000 0.414 99 K N 0.256 120.727 120.400 0.118 0.000 2.063 99 K HA -0.169 4.151 4.320 0.001 0.000 0.208 99 K C 0.855 177.532 176.600 0.128 0.000 1.048 99 K CA 0.924 57.292 56.287 0.135 0.000 0.928 99 K CB -0.305 32.246 32.500 0.084 0.000 0.713 99 K HN 0.202 nan 8.250 nan 0.000 0.442 100 E N -0.087 120.169 120.200 0.095 0.000 1.858 100 E HA 0.061 4.411 4.350 0.001 0.000 0.278 100 E C -0.161 176.504 176.600 0.108 0.000 1.172 100 E CA 0.212 56.662 56.400 0.083 0.000 1.127 100 E CB -0.037 29.695 29.700 0.052 0.000 1.084 100 E HN 0.303 nan 8.360 nan 0.000 0.455 101 A N 2.026 124.938 122.820 0.152 0.000 2.317 101 A HA 0.310 4.630 4.320 0.001 0.000 0.198 101 A C 1.394 179.111 177.584 0.220 0.000 2.567 101 A CA 0.277 52.428 52.037 0.190 0.000 1.525 101 A CB -0.562 18.576 19.000 0.230 0.000 1.020 101 A HN 0.899 nan 8.150 nan 0.000 0.433 102 G N -1.180 107.752 108.800 0.221 0.000 3.006 102 G HA2 0.073 4.033 3.960 0.001 0.000 0.195 102 G HA3 0.073 4.033 3.960 0.001 0.000 0.195 102 G C 0.060 175.051 174.900 0.151 0.000 1.034 102 G CA -0.007 45.204 45.100 0.185 0.000 0.807 102 G HN 0.690 nan 8.290 nan 0.000 0.469 103 F N 1.890 121.932 119.950 0.153 0.000 2.629 103 F HA 0.353 4.880 4.527 0.000 0.000 0.377 103 F C 1.209 177.074 175.800 0.109 0.000 1.101 103 F CA 0.811 58.886 58.000 0.125 0.000 1.301 103 F CB 1.067 40.111 39.000 0.074 0.000 1.062 103 F HN 0.257 nan 8.300 nan 0.000 0.583 104 V N 2.964 123.040 119.914 0.270 0.000 2.313 104 V HA 0.530 4.650 4.120 0.001 0.000 0.278 104 V C -0.420 175.783 176.094 0.182 0.000 1.017 104 V CA -1.105 61.309 62.300 0.191 0.000 0.823 104 V CB 0.514 32.427 31.823 0.151 0.000 1.010 104 V HN 0.506 nan 8.190 nan 0.000 0.443 105 V N 4.467 124.471 119.914 0.149 0.000 2.637 105 V HA 0.249 4.369 4.120 0.001 0.000 0.296 105 V C 1.154 177.321 176.094 0.121 0.000 1.046 105 V CA 0.052 62.428 62.300 0.127 0.000 1.066 105 V CB 0.937 32.809 31.823 0.082 0.000 0.968 105 V HN 0.719 nan 8.190 nan 0.000 0.483 106 V N 2.825 122.830 119.914 0.153 0.000 2.599 106 V HA 0.501 4.622 4.120 0.001 0.000 0.237 106 V C 1.099 177.294 176.094 0.169 0.000 1.081 106 V CA 1.258 63.643 62.300 0.143 0.000 1.107 106 V CB 0.014 31.918 31.823 0.134 0.000 0.808 106 V HN 1.056 nan 8.190 nan 0.000 0.486 107 G N -0.303 108.687 108.800 0.316 0.000 2.695 107 G HA2 0.563 4.523 3.960 0.001 0.000 0.290 107 G HA3 0.563 4.523 3.960 0.001 0.000 0.290 107 G C -1.660 173.359 174.900 0.199 0.000 1.410 107 G CA -0.627 44.687 45.100 0.356 0.000 0.844 107 G HN -0.054 nan 8.290 nan 0.000 0.478 108 K N 0.789 121.225 120.400 0.060 0.000 2.264 108 K HA 0.617 4.937 4.320 0.001 0.000 0.277 108 K C 0.202 176.631 176.600 -0.286 0.000 1.067 108 K CA -0.447 55.770 56.287 -0.116 0.000 0.900 108 K CB 1.302 33.737 32.500 -0.108 0.000 1.124 108 K HN 0.672 nan 8.250 nan 0.000 0.469 109 A N 3.666 126.209 122.820 -0.461 0.000 2.401 109 A HA 0.120 4.440 4.320 0.001 0.000 0.259 109 A C 0.707 178.075 177.584 -0.359 0.000 1.103 109 A CA -0.401 51.259 52.037 -0.629 0.000 0.789 109 A CB 0.066 18.653 19.000 -0.688 0.000 1.035 109 A HN 0.861 nan 8.150 nan 0.000 0.491 110 N N 0.241 118.760 118.700 -0.301 0.000 2.207 110 N HA 0.383 5.123 4.740 0.001 0.000 0.223 110 N C -0.268 175.129 175.510 -0.188 0.000 1.339 110 N CA 0.863 53.764 53.050 -0.249 0.000 0.889 110 N CB 0.179 38.553 38.487 -0.187 0.000 1.128 110 N HN 0.806 nan 8.380 nan 0.000 0.456 111 L N -2.834 118.290 121.223 -0.166 0.000 3.170 111 L HA 0.425 4.765 4.340 0.001 0.000 0.286 111 L C -1.574 175.238 176.870 -0.097 0.000 1.006 111 L CA -1.165 53.609 54.840 -0.110 0.000 0.993 111 L CB 0.771 42.762 42.059 -0.112 0.000 1.549 111 L HN 0.280 nan 8.230 nan 0.000 0.387 112 D N 0.919 121.282 120.400 -0.062 0.000 2.360 112 D HA 0.100 4.741 4.640 0.001 0.000 0.242 112 D C -0.498 175.749 176.300 -0.088 0.000 1.184 112 D CA 0.143 54.109 54.000 -0.056 0.000 0.930 112 D CB 1.154 41.933 40.800 -0.035 0.000 1.161 112 D HN 0.626 nan 8.370 nan 0.000 0.447 113 E N 0.374 120.526 120.200 -0.079 0.000 2.491 113 E HA -0.078 4.272 4.350 0.001 0.000 0.250 113 E C -0.253 176.335 176.600 -0.020 0.000 1.061 113 E CA 0.055 56.398 56.400 -0.094 0.000 0.942 113 E CB -0.292 29.390 29.700 -0.030 0.000 0.957 113 E HN 0.280 nan 8.360 nan 0.000 0.480 114 F N 2.711 122.592 119.950 -0.114 0.000 3.057 114 F HA -0.358 4.169 4.527 0.000 0.000 0.287 114 F C 0.920 176.628 175.800 -0.154 0.000 0.834 114 F CA 0.935 58.862 58.000 -0.122 0.000 1.147 114 F CB -1.912 37.008 39.000 -0.134 0.000 1.245 114 F HN 0.702 nan 8.300 nan 0.000 0.509 115 A N -1.155 121.658 122.820 -0.013 0.000 2.905 115 A HA -0.251 4.070 4.320 0.001 0.000 0.260 115 A C 0.598 178.067 177.584 -0.192 0.000 1.398 115 A CA 1.433 53.441 52.037 -0.049 0.000 0.840 115 A CB -1.752 17.273 19.000 0.043 0.000 1.059 115 A HN 0.469 nan 8.150 nan 0.000 0.647 116 M N -0.539 118.920 119.600 -0.235 0.000 2.044 116 M HA 0.546 5.027 4.480 0.001 0.000 0.333 116 M C 0.783 176.997 176.300 -0.144 0.000 1.004 116 M CA 0.615 55.695 55.300 -0.366 0.000 0.954 116 M CB 1.064 33.393 32.600 -0.451 0.000 1.468 116 M HN 1.251 nan 8.290 nan 0.000 0.414 117 G N 1.103 109.869 108.800 -0.057 0.000 2.491 117 G HA2 0.194 4.155 3.960 0.001 0.000 0.183 117 G HA3 0.194 4.155 3.960 0.001 0.000 0.183 117 G C -0.569 174.429 174.900 0.163 0.000 1.221 117 G CA -0.334 44.794 45.100 0.047 0.000 0.996 117 G HN 0.413 nan 8.290 nan 0.000 0.474 118 S N -0.649 115.196 115.700 0.242 0.000 2.790 118 S HA 0.344 4.814 4.470 0.001 0.000 0.213 118 S C 0.718 175.562 174.600 0.405 0.000 0.790 118 S CA 1.068 59.460 58.200 0.320 0.000 1.339 118 S CB -0.351 63.079 63.200 0.384 0.000 1.297 118 S HN 1.591 nan 8.310 nan 0.000 0.565 119 S N 0.141 116.071 115.700 0.382 0.000 3.884 119 S HA 0.521 4.991 4.470 0.001 0.000 0.174 119 S C 0.730 175.437 174.600 0.179 0.000 0.872 119 S CA 0.735 59.169 58.200 0.391 0.000 1.015 119 S CB 0.934 64.600 63.200 0.778 0.000 1.395 119 S HN 0.133 nan 8.310 nan 0.000 0.737 120 T N 1.046 115.699 114.554 0.166 0.000 4.428 120 T HA -0.004 4.347 4.350 0.001 0.000 0.276 120 T C 0.884 175.634 174.700 0.083 0.000 1.453 120 T CA 0.495 62.645 62.100 0.083 0.000 1.641 120 T CB -1.099 67.803 68.868 0.057 0.000 0.939 120 T HN 0.615 nan 8.240 nan 0.000 0.795 121 E N 2.252 122.533 120.200 0.136 0.000 2.265 121 E HA -0.095 4.256 4.350 0.001 0.000 0.196 121 E C 1.814 178.457 176.600 0.073 0.000 0.996 121 E CA 0.888 57.364 56.400 0.127 0.000 0.832 121 E CB -0.301 29.506 29.700 0.178 0.000 0.756 121 E HN 0.457 nan 8.360 nan 0.000 0.491 122 R N 1.482 122.007 120.500 0.040 0.000 2.237 122 R HA 0.018 4.359 4.340 0.001 0.000 0.219 122 R C 1.310 177.600 176.300 -0.018 0.000 1.080 122 R CA 0.634 56.725 56.100 -0.015 0.000 0.995 122 R CB -0.404 29.856 30.300 -0.066 0.000 0.875 122 R HN 0.062 nan 8.270 nan 0.000 0.462 123 S N 0.748 116.436 115.700 -0.021 0.000 2.573 123 S HA 0.026 4.496 4.470 0.001 0.000 0.297 123 S C 1.041 175.623 174.600 -0.030 0.000 1.280 123 S CA 0.132 58.300 58.200 -0.053 0.000 1.061 123 S CB 1.052 64.194 63.200 -0.096 0.000 0.812 123 S HN 0.383 nan 8.310 nan 0.000 0.500 124 A N 4.284 127.084 122.820 -0.034 0.000 2.275 124 A HA 0.313 4.634 4.320 0.001 0.000 0.212 124 A C 1.216 178.770 177.584 -0.049 0.000 1.201 124 A CA -0.189 51.831 52.037 -0.029 0.000 0.843 124 A CB -0.446 18.535 19.000 -0.032 0.000 0.873 124 A HN 0.862 nan 8.150 nan 0.000 0.492 125 F N -0.123 119.703 119.950 -0.208 0.000 2.188 125 F HA 0.342 4.870 4.527 0.000 0.000 0.289 125 F C 0.418 176.129 175.800 -0.149 0.000 1.082 125 F CA 1.152 58.991 58.000 -0.268 0.000 1.282 125 F CB 0.326 39.007 39.000 -0.532 0.000 1.060 125 F HN 0.290 nan 8.300 nan 0.000 0.493 126 F N -3.447 116.627 119.950 0.206 0.000 2.843 126 F HA 0.408 4.936 4.527 0.001 0.000 0.323 126 F C -3.199 172.657 175.800 0.094 0.000 1.142 126 F CA -2.363 55.710 58.000 0.121 0.000 0.925 126 F CB -0.176 38.904 39.000 0.133 0.000 1.277 126 F HN -0.392 nan 8.300 nan 0.000 0.446 127 P HA 0.281 nan 4.420 nan 0.000 0.274 127 P C -0.888 176.604 177.300 0.321 0.000 1.237 127 P CA -0.057 63.196 63.100 0.255 0.000 0.793 127 P CB 1.570 33.380 31.700 0.184 0.000 0.977 128 T N 2.446 117.125 114.554 0.209 0.000 2.809 128 T HA 0.350 4.700 4.350 0.001 0.000 0.284 128 T C 0.112 174.881 174.700 0.116 0.000 0.992 128 T CA -0.578 61.636 62.100 0.190 0.000 0.957 128 T CB 0.567 69.528 68.868 0.154 0.000 0.942 128 T HN 0.259 nan 8.240 nan 0.000 0.439 129 R N 2.799 123.364 120.500 0.108 0.000 2.410 129 R HA 0.321 4.661 4.340 0.001 0.000 0.288 129 R C 0.585 176.928 176.300 0.072 0.000 1.051 129 R CA -0.902 55.245 56.100 0.079 0.000 1.021 129 R CB 0.504 30.855 30.300 0.085 0.000 1.032 129 R HN 0.452 nan 8.270 nan 0.000 0.481 130 N N 4.012 122.747 118.700 0.058 0.000 2.454 130 N HA -0.024 4.716 4.740 0.001 0.000 0.260 130 N C -1.583 173.996 175.510 0.114 0.000 1.218 130 N CA -1.412 51.690 53.050 0.085 0.000 0.904 130 N CB 0.868 39.415 38.487 0.100 0.000 1.065 130 N HN 0.337 nan 8.380 nan 0.000 0.462 131 P HA -0.154 nan 4.420 nan 0.000 0.208 131 P C 0.042 177.400 177.300 0.097 0.000 1.180 131 P CA 1.612 64.706 63.100 -0.009 0.000 0.935 131 P CB -0.495 31.078 31.700 -0.213 0.000 0.785 132 W N 1.201 122.527 121.300 0.044 0.000 2.585 132 W HA 0.541 5.201 4.660 0.001 0.000 0.337 132 W C -0.537 175.988 176.519 0.011 0.000 1.226 132 W CA -1.362 56.004 57.345 0.036 0.000 1.463 132 W CB -1.451 28.048 29.460 0.065 0.000 1.458 132 W HN 0.197 nan 8.180 nan 0.000 0.458 133 D N 2.938 123.475 120.400 0.227 0.000 3.033 133 D HA -0.186 4.454 4.640 0.001 0.000 0.169 133 D C 0.424 176.783 176.300 0.098 0.000 1.048 133 D CA 0.061 54.132 54.000 0.119 0.000 0.907 133 D CB -0.782 40.056 40.800 0.064 0.000 0.751 133 D HN 0.567 nan 8.370 nan 0.000 0.396 134 L N 1.196 122.474 121.223 0.092 0.000 2.651 134 L HA -0.105 4.236 4.340 0.001 0.000 0.236 134 L C 2.077 178.987 176.870 0.067 0.000 1.173 134 L CA 0.889 55.780 54.840 0.086 0.000 0.843 134 L CB -0.205 41.914 42.059 0.100 0.000 0.964 134 L HN 0.339 nan 8.230 nan 0.000 0.454 135 E N -0.413 119.819 120.200 0.054 0.000 2.318 135 E HA 0.016 4.366 4.350 0.001 0.000 0.193 135 E C 0.986 177.604 176.600 0.030 0.000 0.998 135 E CA 0.094 56.520 56.400 0.044 0.000 0.859 135 E CB 0.423 30.143 29.700 0.035 0.000 0.812 135 E HN 0.418 nan 8.360 nan 0.000 0.492 136 R N 0.550 121.056 120.500 0.010 0.000 2.601 136 R HA 0.463 4.803 4.340 0.001 0.000 0.220 136 R C 0.321 176.563 176.300 -0.097 0.000 1.329 136 R CA -0.545 55.522 56.100 -0.055 0.000 1.043 136 R CB 0.139 30.401 30.300 -0.062 0.000 1.807 136 R HN -0.071 nan 8.270 nan 0.000 0.537 137 V N -2.741 117.033 119.914 -0.234 0.000 2.932 137 V HA 0.316 4.436 4.120 0.001 0.000 0.307 137 V C -2.432 173.538 176.094 -0.207 0.000 1.147 137 V CA -1.891 60.263 62.300 -0.244 0.000 0.951 137 V CB 2.492 34.047 31.823 -0.447 0.000 1.031 137 V HN 0.355 nan 8.190 nan 0.000 0.426 138 P HA 0.135 nan 4.420 nan 0.000 0.220 138 P C 1.011 178.289 177.300 -0.037 0.000 1.148 138 P CA 2.157 65.240 63.100 -0.029 0.000 0.803 138 P CB -0.158 31.545 31.700 0.005 0.000 0.782 139 G N -1.485 107.282 108.800 -0.055 0.000 2.698 139 G HA2 0.171 4.131 3.960 0.001 0.000 0.233 139 G HA3 0.171 4.131 3.960 0.001 0.000 0.233 139 G C 0.393 175.332 174.900 0.065 0.000 1.352 139 G CA -0.217 44.895 45.100 0.021 0.000 0.879 139 G HN 0.613 nan 8.290 nan 0.000 0.567 140 G N -2.182 106.674 108.800 0.093 0.000 2.601 140 G HA2 0.100 4.061 3.960 0.001 0.000 0.261 140 G HA3 0.100 4.061 3.960 0.001 0.000 0.261 140 G C 1.196 176.142 174.900 0.077 0.000 1.289 140 G CA 1.273 46.419 45.100 0.077 0.000 0.920 140 G HN 2.139 nan 8.290 nan 0.000 0.571 141 S N -0.525 115.205 115.700 0.049 0.000 2.545 141 S HA 0.231 4.701 4.470 0.001 0.000 0.232 141 S C 1.819 176.420 174.600 0.003 0.000 1.070 141 S CA 1.097 59.313 58.200 0.027 0.000 0.923 141 S CB 0.354 63.568 63.200 0.023 0.000 0.806 141 S HN 1.785 nan 8.310 nan 0.000 0.506 142 S N 1.942 117.643 115.700 0.003 0.000 2.945 142 S HA 0.410 4.880 4.470 0.001 0.000 0.227 142 S C 1.318 175.904 174.600 -0.024 0.000 1.353 142 S CA -0.167 58.019 58.200 -0.023 0.000 1.236 142 S CB 0.121 63.309 63.200 -0.021 0.000 1.069 142 S HN 0.369 nan 8.310 nan 0.000 0.509 143 G N 2.596 111.388 108.800 -0.013 0.000 2.511 143 G HA2 -0.068 3.893 3.960 0.001 0.000 0.216 143 G HA3 -0.068 3.893 3.960 0.001 0.000 0.216 143 G C 1.408 176.297 174.900 -0.019 0.000 1.218 143 G CA 0.500 45.597 45.100 -0.004 0.000 0.788 143 G HN 0.716 nan 8.290 nan 0.000 0.560 144 G N 0.411 109.188 108.800 -0.038 0.000 2.507 144 G HA2 -0.214 3.746 3.960 0.001 0.000 0.221 144 G HA3 -0.214 3.746 3.960 0.001 0.000 0.221 144 G C 2.129 176.963 174.900 -0.111 0.000 1.119 144 G CA 1.677 46.740 45.100 -0.061 0.000 0.751 144 G HN 0.452 nan 8.290 nan 0.000 0.574 145 S N 0.902 116.530 115.700 -0.120 0.000 2.344 145 S HA 0.044 4.515 4.470 0.001 0.000 0.217 145 S C 2.476 177.050 174.600 -0.044 0.000 1.033 145 S CA 1.033 59.165 58.200 -0.114 0.000 1.017 145 S CB -0.415 62.729 63.200 -0.093 0.000 0.941 145 S HN 0.578 nan 8.310 nan 0.000 0.430 146 A N 0.032 122.838 122.820 -0.023 0.000 2.236 146 A HA 0.570 4.890 4.320 0.001 0.000 0.214 146 A C 1.401 178.986 177.584 0.002 0.000 1.287 146 A CA 0.853 52.889 52.037 -0.002 0.000 0.909 146 A CB -0.560 18.445 19.000 0.008 0.000 0.839 146 A HN 0.464 nan 8.150 nan 0.000 0.486 147 A N -1.963 120.860 122.820 0.005 0.000 2.242 147 A HA 0.606 4.926 4.320 0.001 0.000 0.205 147 A C 1.757 179.360 177.584 0.033 0.000 1.353 147 A CA 0.866 52.909 52.037 0.010 0.000 1.005 147 A CB -0.175 18.842 19.000 0.027 0.000 1.127 147 A HN 0.898 nan 8.150 nan 0.000 0.498 148 A N -0.382 122.488 122.820 0.082 0.000 2.275 148 A HA 0.453 4.773 4.320 0.001 0.000 0.212 148 A C 1.613 179.271 177.584 0.124 0.000 1.201 148 A CA 1.063 53.213 52.037 0.189 0.000 0.843 148 A CB -0.176 19.119 19.000 0.492 0.000 0.873 148 A HN 0.256 nan 8.150 nan 0.000 0.492 149 V N -1.298 118.646 119.914 0.050 0.000 2.436 149 V HA -0.089 4.031 4.120 0.001 0.000 0.240 149 V C 2.641 178.711 176.094 -0.041 0.000 1.040 149 V CA 1.894 64.201 62.300 0.012 0.000 1.052 149 V CB -0.386 31.444 31.823 0.011 0.000 0.707 149 V HN 0.495 nan 8.190 nan 0.000 0.469 150 S N 0.645 116.305 115.700 -0.067 0.000 2.359 150 S HA -0.255 4.215 4.470 0.001 0.000 0.222 150 S C 2.190 176.671 174.600 -0.198 0.000 1.038 150 S CA 1.848 59.953 58.200 -0.159 0.000 1.051 150 S CB -0.575 62.488 63.200 -0.229 0.000 0.944 150 S HN 0.633 nan 8.310 nan 0.000 0.433 151 A N 0.052 122.781 122.820 -0.152 0.000 2.076 151 A HA 0.218 4.538 4.320 0.001 0.000 0.220 151 A C 1.735 179.272 177.584 -0.078 0.000 1.160 151 A CA 1.659 53.624 52.037 -0.120 0.000 0.653 151 A CB -1.041 17.933 19.000 -0.043 0.000 0.801 151 A HN 1.298 nan 8.150 nan 0.000 0.455 152 G N -2.629 106.129 108.800 -0.071 0.000 2.140 152 G HA2 -0.249 3.712 3.960 0.001 0.000 0.211 152 G HA3 -0.249 3.712 3.960 0.001 0.000 0.211 152 G C 0.566 175.421 174.900 -0.075 0.000 1.013 152 G CA 0.466 45.503 45.100 -0.104 0.000 0.705 152 G HN 0.348 nan 8.290 nan 0.000 0.508 153 M N -0.843 118.761 119.600 0.007 0.000 2.562 153 M HA 0.380 4.860 4.480 0.001 0.000 0.257 153 M C 0.883 177.210 176.300 0.046 0.000 1.099 153 M CA 1.029 56.363 55.300 0.057 0.000 1.099 153 M CB 0.556 33.156 32.600 -0.001 0.000 1.427 153 M HN 0.271 nan 8.290 nan 0.000 0.489 154 V N -1.319 118.591 119.914 -0.008 0.000 3.120 154 V HA 0.154 4.274 4.120 0.001 0.000 0.303 154 V C 0.585 176.647 176.094 -0.053 0.000 1.238 154 V CA -0.645 61.660 62.300 0.009 0.000 1.008 154 V CB 2.368 34.278 31.823 0.146 0.000 1.064 154 V HN -0.119 nan 8.190 nan 0.000 0.434 155 V N 3.067 122.962 119.914 -0.032 0.000 2.427 155 V HA 0.338 4.458 4.120 0.001 0.000 0.248 155 V C 0.768 176.879 176.094 0.028 0.000 1.051 155 V CA 1.972 64.258 62.300 -0.024 0.000 1.048 155 V CB -0.334 31.511 31.823 0.036 0.000 0.666 155 V HN 1.229 nan 8.190 nan 0.000 0.456 156 A N -1.738 121.119 122.820 0.061 0.000 2.586 156 A HA 0.873 5.193 4.320 0.001 0.000 0.291 156 A C -1.003 176.597 177.584 0.028 0.000 1.062 156 A CA 0.068 52.128 52.037 0.040 0.000 0.666 156 A CB 1.100 20.120 19.000 0.034 0.000 1.281 156 A HN 0.693 nan 8.150 nan 0.000 0.421 157 A N -0.096 122.723 122.820 -0.001 0.000 2.532 157 A HA 0.858 5.179 4.320 0.001 0.000 0.290 157 A C -1.720 175.836 177.584 -0.047 0.000 1.143 157 A CA -0.490 51.534 52.037 -0.021 0.000 0.728 157 A CB 0.957 19.945 19.000 -0.021 0.000 1.317 157 A HN 1.093 nan 8.150 nan 0.000 0.414 158 L N -0.008 121.180 121.223 -0.059 0.000 2.333 158 L HA 0.901 5.241 4.340 0.001 0.000 0.269 158 L C 0.541 177.383 176.870 -0.047 0.000 1.010 158 L CA -0.254 54.551 54.840 -0.057 0.000 0.818 158 L CB 1.481 43.497 42.059 -0.073 0.000 1.306 158 L HN 1.149 nan 8.230 nan 0.000 0.430 159 G N -0.360 108.423 108.800 -0.029 0.000 2.755 159 G HA2 0.494 4.454 3.960 0.001 0.000 0.297 159 G HA3 0.494 4.454 3.960 0.001 0.000 0.297 159 G C -1.031 173.871 174.900 0.003 0.000 1.441 159 G CA -0.315 44.773 45.100 -0.019 0.000 0.964 159 G HN 0.669 nan 8.290 nan 0.000 0.540 160 S N 0.504 116.216 115.700 0.019 0.000 2.585 160 S HA 0.566 5.037 4.470 0.001 0.000 0.273 160 S C -0.536 174.099 174.600 0.059 0.000 1.339 160 S CA -0.404 57.826 58.200 0.051 0.000 1.028 160 S CB 1.972 65.222 63.200 0.084 0.000 0.906 160 S HN 0.585 nan 8.310 nan 0.000 0.528 161 D N 1.253 121.697 120.400 0.073 0.000 2.476 161 D HA 0.311 4.951 4.640 0.001 0.000 0.251 161 D C 0.090 176.458 176.300 0.113 0.000 1.291 161 D CA -0.392 53.650 54.000 0.070 0.000 0.939 161 D CB 1.702 42.516 40.800 0.023 0.000 1.221 161 D HN 0.667 nan 8.370 nan 0.000 0.567 162 T N 0.779 115.435 114.554 0.171 0.000 3.056 162 T HA 0.223 4.574 4.350 0.001 0.000 0.241 162 T C 1.295 176.149 174.700 0.258 0.000 1.006 162 T CA 0.036 62.291 62.100 0.259 0.000 1.115 162 T CB 0.692 69.847 68.868 0.478 0.000 0.939 162 T HN 0.388 nan 8.240 nan 0.000 0.462 163 G N 0.918 109.796 108.800 0.130 0.000 4.757 163 G HA2 0.490 4.450 3.960 0.001 0.000 0.303 163 G HA3 0.490 4.450 3.960 0.001 0.000 0.303 163 G C 0.540 175.380 174.900 -0.100 0.000 1.318 163 G CA -0.201 44.788 45.100 -0.186 0.000 1.020 163 G HN 0.696 nan 8.290 nan 0.000 0.589 164 G N 0.120 108.898 108.800 -0.038 0.000 2.460 164 G HA2 -0.121 3.839 3.960 0.001 0.000 0.259 164 G HA3 -0.121 3.839 3.960 0.001 0.000 0.259 164 G C 0.535 175.445 174.900 0.018 0.000 0.959 164 G CA 0.214 45.306 45.100 -0.012 0.000 1.330 164 G HN 0.670 nan 8.290 nan 0.000 0.451 165 S N -0.262 115.458 115.700 0.033 0.000 2.603 165 S HA 0.253 4.723 4.470 0.001 0.000 0.232 165 S C 1.977 176.595 174.600 0.029 0.000 1.016 165 S CA 0.741 58.967 58.200 0.044 0.000 0.976 165 S CB 0.955 64.194 63.200 0.065 0.000 0.921 165 S HN 1.644 nan 8.310 nan 0.000 0.516 166 V N -1.101 118.825 119.914 0.020 0.000 3.359 166 V HA 0.355 4.475 4.120 0.001 0.000 0.245 166 V C 1.783 177.889 176.094 0.021 0.000 1.247 166 V CA 0.142 62.452 62.300 0.016 0.000 1.145 166 V CB -0.253 31.576 31.823 0.009 0.000 0.906 166 V HN 0.048 nan 8.190 nan 0.000 0.464 167 R N 0.537 121.046 120.500 0.016 0.000 2.064 167 R HA 0.000 4.340 4.340 0.001 0.000 0.228 167 R C 2.551 178.871 176.300 0.034 0.000 1.144 167 R CA 2.216 58.330 56.100 0.024 0.000 0.932 167 R CB -0.879 29.430 30.300 0.015 0.000 0.833 167 R HN 0.540 nan 8.270 nan 0.000 0.429 168 Q N -0.016 119.805 119.800 0.035 0.000 2.012 168 Q HA -0.176 4.164 4.340 0.001 0.000 0.211 168 Q C -0.816 175.208 176.000 0.039 0.000 1.009 168 Q CA 2.583 58.412 55.803 0.043 0.000 0.866 168 Q CB -1.163 27.604 28.738 0.047 0.000 0.945 168 Q HN 0.278 nan 8.270 nan 0.000 0.414 169 P HA -0.054 nan 4.420 nan 0.000 0.230 169 P C 0.440 177.760 177.300 0.032 0.000 1.158 169 P CA 1.483 64.600 63.100 0.029 0.000 0.769 169 P CB 0.004 31.718 31.700 0.023 0.000 0.807 170 A N 0.154 122.994 122.820 0.033 0.000 1.878 170 A HA -0.051 4.269 4.320 0.001 0.000 0.213 170 A C 2.605 180.209 177.584 0.034 0.000 1.192 170 A CA 1.606 53.664 52.037 0.034 0.000 0.619 170 A CB -1.367 17.655 19.000 0.036 0.000 0.837 170 A HN 0.237 nan 8.150 nan 0.000 0.446 171 S N -0.806 114.914 115.700 0.033 0.000 2.383 171 S HA -0.093 4.377 4.470 0.001 0.000 0.227 171 S C 1.824 176.445 174.600 0.036 0.000 1.026 171 S CA 1.487 59.703 58.200 0.026 0.000 0.981 171 S CB -0.345 62.880 63.200 0.042 0.000 0.818 171 S HN 0.372 nan 8.310 nan 0.000 0.472 172 L N 0.075 121.324 121.223 0.043 0.000 2.418 172 L HA 0.250 4.590 4.340 0.001 0.000 0.218 172 L C 1.929 178.853 176.870 0.089 0.000 1.125 172 L CA 0.932 55.796 54.840 0.039 0.000 0.835 172 L CB -0.151 41.913 42.059 0.009 0.000 0.953 172 L HN 0.457 nan 8.230 nan 0.000 0.454 173 C N -1.201 118.170 119.300 0.118 0.000 3.230 173 C HA 0.553 5.013 4.460 0.001 0.000 0.300 173 C C 1.728 176.886 174.990 0.281 0.000 1.292 173 C CA 0.256 59.386 59.018 0.186 0.000 1.707 173 C CB -0.316 27.472 27.740 0.080 0.000 2.181 173 C HN 0.778 nan 8.230 nan 0.000 0.655 174 G N 0.368 109.297 108.800 0.214 0.000 2.229 174 G HA2 -0.140 3.820 3.960 0.001 0.000 0.189 174 G HA3 -0.140 3.820 3.960 0.001 0.000 0.189 174 G C 0.127 175.044 174.900 0.029 0.000 1.000 174 G CA 0.492 45.736 45.100 0.240 0.000 0.663 174 G HN 0.887 nan 8.290 nan 0.000 0.493 175 V N -2.154 117.774 119.914 0.024 0.000 3.417 175 V HA 0.930 5.050 4.120 0.001 0.000 0.297 175 V C 0.508 176.614 176.094 0.020 0.000 1.271 175 V CA -0.942 61.369 62.300 0.019 0.000 1.012 175 V CB 1.412 33.252 31.823 0.028 0.000 1.241 175 V HN 0.510 nan 8.190 nan 0.000 0.477 176 V N 1.114 121.055 119.914 0.045 0.000 2.350 176 V HA 0.753 4.873 4.120 0.001 0.000 0.276 176 V C 0.671 176.815 176.094 0.084 0.000 1.028 176 V CA 0.498 62.839 62.300 0.067 0.000 0.860 176 V CB 0.424 32.300 31.823 0.090 0.000 0.990 176 V HN 1.209 nan 8.190 nan 0.000 0.453 177 G N 3.585 112.438 108.800 0.088 0.000 2.478 177 G HA2 0.569 4.530 3.960 0.001 0.000 0.317 177 G HA3 0.569 4.530 3.960 0.001 0.000 0.317 177 G C -1.599 173.394 174.900 0.155 0.000 1.259 177 G CA -0.453 44.706 45.100 0.098 0.000 0.933 177 G HN 0.595 nan 8.290 nan 0.000 0.478 178 Y N 2.262 122.583 120.300 0.035 0.000 2.468 178 Y HA 0.666 5.216 4.550 0.000 0.000 0.342 178 Y C -0.131 175.789 175.900 0.033 0.000 1.021 178 Y CA -1.150 56.970 58.100 0.034 0.000 1.079 178 Y CB 2.138 40.689 38.460 0.151 0.000 1.226 178 Y HN 0.322 nan 8.280 nan 0.000 0.460 179 K N 8.794 128.665 120.400 -0.881 0.000 2.579 179 K HA 0.340 4.660 4.320 0.001 0.000 0.225 179 K C -3.033 173.050 176.600 -0.861 0.000 0.992 179 K CA -2.358 53.557 56.287 -0.620 0.000 1.018 179 K CB 1.074 33.398 32.500 -0.292 0.000 1.249 179 K HN 0.454 nan 8.250 nan 0.000 0.489 180 P HA -0.050 nan 4.420 nan 0.000 0.272 180 P C -0.404 176.899 177.300 0.006 0.000 1.243 180 P CA 0.071 63.102 63.100 -0.115 0.000 0.803 180 P CB 0.197 31.987 31.700 0.150 0.000 0.974 181 T N -0.561 114.112 114.554 0.198 0.000 2.869 181 T HA 0.072 4.423 4.350 0.001 0.000 0.295 181 T C 0.046 174.948 174.700 0.338 0.000 0.987 181 T CA -0.247 62.029 62.100 0.293 0.000 1.109 181 T CB -0.232 68.938 68.868 0.504 0.000 0.932 181 T HN 0.255 nan 8.240 nan 0.000 0.518 182 Y N 2.457 122.915 120.300 0.263 0.000 2.829 182 Y HA 0.257 4.807 4.550 0.001 0.000 0.383 182 Y C 1.172 177.188 175.900 0.192 0.000 1.382 182 Y CA 1.167 59.393 58.100 0.210 0.000 1.858 182 Y CB -0.868 37.705 38.460 0.189 0.000 1.331 182 Y HN 1.009 nan 8.280 nan 0.000 0.475 183 G N 4.117 112.774 108.800 -0.238 0.000 3.290 183 G HA2 -0.151 3.809 3.960 0.001 0.000 0.220 183 G HA3 -0.151 3.809 3.960 0.001 0.000 0.220 183 G C 0.173 174.979 174.900 -0.156 0.000 0.940 183 G CA 0.139 45.059 45.100 -0.299 0.000 0.884 183 G HN 0.650 nan 8.290 nan 0.000 0.649 184 L N 0.008 121.201 121.223 -0.050 0.000 2.749 184 L HA 0.447 4.788 4.340 0.001 0.000 0.242 184 L C 0.227 177.117 176.870 0.034 0.000 1.103 184 L CA 0.201 55.068 54.840 0.045 0.000 0.906 184 L CB 1.298 43.471 42.059 0.190 0.000 1.228 184 L HN 0.044 nan 8.230 nan 0.000 0.517 185 V N -0.599 119.307 119.914 -0.013 0.000 2.577 185 V HA 0.246 4.366 4.120 0.001 0.000 0.303 185 V C 0.149 176.225 176.094 -0.030 0.000 1.042 185 V CA -0.688 61.603 62.300 -0.014 0.000 0.872 185 V CB 1.879 33.697 31.823 -0.009 0.000 0.998 185 V HN 0.029 nan 8.190 nan 0.000 0.423 186 S N 3.410 119.106 115.700 -0.007 0.000 2.596 186 S HA 0.064 4.535 4.470 0.001 0.000 0.298 186 S C 1.256 175.889 174.600 0.054 0.000 1.255 186 S CA 0.041 58.256 58.200 0.025 0.000 1.083 186 S CB -0.002 63.231 63.200 0.054 0.000 0.837 186 S HN 0.674 nan 8.310 nan 0.000 0.499 187 R N 2.968 123.502 120.500 0.057 0.000 2.310 187 R HA 0.026 4.366 4.340 0.001 0.000 0.202 187 R C -0.129 176.259 176.300 0.147 0.000 0.933 187 R CA 0.038 56.186 56.100 0.081 0.000 1.054 187 R CB 0.052 30.389 30.300 0.061 0.000 0.985 187 R HN 0.743 nan 8.270 nan 0.000 0.489 188 Y N 0.361 120.698 120.300 0.061 0.000 2.480 188 Y HA 0.169 4.719 4.550 0.000 0.000 0.341 188 Y C 1.090 177.073 175.900 0.139 0.000 1.031 188 Y CA 1.005 59.181 58.100 0.127 0.000 1.295 188 Y CB 0.556 39.090 38.460 0.123 0.000 1.162 188 Y HN 0.332 nan 8.280 nan 0.000 0.523 189 G N 4.453 113.224 108.800 -0.048 0.000 2.201 189 G HA2 -0.279 3.681 3.960 0.001 0.000 0.212 189 G HA3 -0.279 3.681 3.960 0.001 0.000 0.212 189 G C -0.746 174.118 174.900 -0.060 0.000 0.994 189 G CA -0.105 44.911 45.100 -0.140 0.000 0.644 189 G HN 0.751 nan 8.290 nan 0.000 0.508 190 L N 2.630 123.869 121.223 0.027 0.000 2.255 190 L HA 0.702 5.042 4.340 0.001 0.000 0.289 190 L C 0.724 177.657 176.870 0.104 0.000 1.046 190 L CA -0.824 54.050 54.840 0.057 0.000 0.816 190 L CB 1.418 43.520 42.059 0.071 0.000 1.197 190 L HN 0.117 nan 8.230 nan 0.000 0.427 191 V N 6.690 126.687 119.914 0.139 0.000 2.459 191 V HA 0.064 4.184 4.120 0.001 0.000 0.255 191 V C 1.177 177.416 176.094 0.242 0.000 1.015 191 V CA 0.490 62.932 62.300 0.236 0.000 1.163 191 V CB -1.033 30.976 31.823 0.310 0.000 1.109 191 V HN 0.929 nan 8.190 nan 0.000 0.473 192 A N 5.039 127.973 122.820 0.190 0.000 2.440 192 A HA 0.488 4.809 4.320 0.001 0.000 0.251 192 A C 0.462 178.159 177.584 0.188 0.000 1.089 192 A CA -0.266 51.867 52.037 0.161 0.000 0.779 192 A CB 0.197 19.255 19.000 0.096 0.000 1.022 192 A HN 0.833 nan 8.150 nan 0.000 0.492 193 F N 2.401 122.378 119.950 0.044 0.000 2.453 193 F HA 0.589 5.116 4.527 0.000 0.000 0.284 193 F C 0.713 176.483 175.800 -0.051 0.000 1.065 193 F CA 0.326 58.316 58.000 -0.017 0.000 1.411 193 F CB -0.020 38.979 39.000 -0.001 0.000 1.131 193 F HN 0.601 nan 8.300 nan 0.000 0.582 194 A N 0.049 122.430 122.820 -0.731 0.000 2.343 194 A HA 0.583 4.904 4.320 0.001 0.000 0.308 194 A C 0.619 178.061 177.584 -0.236 0.000 1.092 194 A CA -0.067 51.580 52.037 -0.649 0.000 0.751 194 A CB 1.100 19.560 19.000 -0.900 0.000 1.203 194 A HN 0.204 nan 8.150 nan 0.000 0.452 195 S N 0.638 116.254 115.700 -0.141 0.000 2.436 195 S HA -0.100 4.370 4.470 0.001 0.000 0.228 195 S C 2.117 176.750 174.600 0.054 0.000 1.014 195 S CA 1.594 59.798 58.200 0.007 0.000 0.950 195 S CB -0.028 63.185 63.200 0.022 0.000 0.784 195 S HN 1.066 nan 8.310 nan 0.000 0.504 196 S N 1.222 116.839 115.700 -0.138 0.000 2.446 196 S HA 0.181 4.652 4.470 0.001 0.000 0.225 196 S C 1.552 175.805 174.600 -0.579 0.000 1.016 196 S CA 0.382 58.349 58.200 -0.388 0.000 0.943 196 S CB -0.303 62.718 63.200 -0.299 0.000 0.786 196 S HN 0.444 nan 8.310 nan 0.000 0.508 197 L N 0.089 121.186 121.223 -0.210 0.000 2.547 197 L HA 0.356 4.696 4.340 0.001 0.000 0.218 197 L C 0.193 177.138 176.870 0.125 0.000 1.048 197 L CA -0.259 54.537 54.840 -0.073 0.000 0.859 197 L CB -0.840 41.195 42.059 -0.040 0.000 1.128 197 L HN 0.064 nan 8.230 nan 0.000 0.483 198 D N 1.535 122.012 120.400 0.128 0.000 2.567 198 D HA 0.083 4.723 4.640 0.001 0.000 0.228 198 D C 0.064 176.489 176.300 0.208 0.000 1.185 198 D CA 1.155 55.255 54.000 0.166 0.000 0.874 198 D CB 0.326 41.213 40.800 0.144 0.000 1.219 198 D HN 0.009 nan 8.370 nan 0.000 0.494 199 Q N 0.724 120.601 119.800 0.129 0.000 2.593 199 Q HA 0.220 4.561 4.340 0.001 0.000 0.242 199 Q C -0.952 175.072 176.000 0.041 0.000 0.944 199 Q CA -0.370 55.481 55.803 0.080 0.000 1.041 199 Q CB 0.923 29.710 28.738 0.081 0.000 1.588 199 Q HN 0.427 nan 8.270 nan 0.000 0.464 200 I N 1.868 122.453 120.570 0.025 0.000 2.533 200 I HA 0.464 4.634 4.170 0.001 0.000 0.284 200 I C 1.004 177.118 176.117 -0.005 0.000 1.109 200 I CA 0.256 61.561 61.300 0.008 0.000 1.412 200 I CB 0.824 38.824 38.000 -0.000 0.000 1.396 200 I HN 0.570 nan 8.210 nan 0.000 0.543 201 G N 6.652 115.449 108.800 -0.005 0.000 2.605 201 G HA2 0.704 4.664 3.960 0.001 0.000 0.296 201 G HA3 0.704 4.664 3.960 0.001 0.000 0.296 201 G C -3.086 171.828 174.900 0.024 0.000 1.304 201 G CA -1.390 43.719 45.100 0.015 0.000 0.941 201 G HN 0.254 nan 8.290 nan 0.000 0.475 202 P HA 0.507 nan 4.420 nan 0.000 0.276 202 P C -0.649 176.685 177.300 0.058 0.000 1.261 202 P CA -0.475 62.643 63.100 0.031 0.000 0.800 202 P CB 1.098 32.816 31.700 0.030 0.000 1.066 203 I N 0.108 120.697 120.570 0.030 0.000 2.563 203 I HA 0.344 4.515 4.170 0.001 0.000 0.285 203 I C -0.058 176.078 176.117 0.031 0.000 1.123 203 I CA 0.034 61.357 61.300 0.037 0.000 1.059 203 I CB 1.093 39.103 38.000 0.017 0.000 1.229 203 I HN 0.345 nan 8.210 nan 0.000 0.442 204 T N 4.372 118.954 114.554 0.046 0.000 2.681 204 T HA 0.497 4.848 4.350 0.001 0.000 0.296 204 T C 0.733 175.460 174.700 0.046 0.000 1.157 204 T CA -0.288 61.837 62.100 0.041 0.000 1.025 204 T CB 2.025 70.920 68.868 0.044 0.000 1.441 204 T HN 0.580 nan 8.240 nan 0.000 0.504 205 K N 0.050 120.476 120.400 0.043 0.000 2.121 205 K HA 0.226 4.546 4.320 0.001 0.000 0.203 205 K C 0.473 177.117 176.600 0.074 0.000 1.041 205 K CA 0.559 56.877 56.287 0.052 0.000 0.969 205 K CB -0.168 32.349 32.500 0.028 0.000 0.799 205 K HN 0.480 nan 8.250 nan 0.000 0.456 206 T N 1.369 115.963 114.554 0.067 0.000 2.909 206 T HA 0.123 4.473 4.350 0.001 0.000 0.286 206 T C 1.038 175.789 174.700 0.084 0.000 1.002 206 T CA -0.582 61.563 62.100 0.075 0.000 1.074 206 T CB 1.955 70.860 68.868 0.061 0.000 0.984 206 T HN -0.153 nan 8.240 nan 0.000 0.495 207 V N 2.178 122.151 119.914 0.098 0.000 3.630 207 V HA 0.048 4.168 4.120 0.001 0.000 0.273 207 V C 2.089 178.254 176.094 0.118 0.000 1.248 207 V CA 0.736 63.113 62.300 0.128 0.000 1.170 207 V CB -1.144 30.758 31.823 0.131 0.000 0.899 207 V HN 0.735 nan 8.190 nan 0.000 0.457 208 R N 0.053 120.595 120.500 0.070 0.000 2.223 208 R HA 0.028 4.368 4.340 0.001 0.000 0.198 208 R C 1.262 177.561 176.300 -0.003 0.000 0.984 208 R CA 0.733 56.852 56.100 0.032 0.000 1.018 208 R CB 0.111 30.435 30.300 0.041 0.000 0.945 208 R HN 0.478 nan 8.270 nan 0.000 0.479 209 D N 0.636 121.048 120.400 0.020 0.000 2.262 209 D HA 0.042 4.682 4.640 0.001 0.000 0.212 209 D C 1.742 178.011 176.300 -0.052 0.000 0.964 209 D CA 0.813 54.819 54.000 0.010 0.000 0.875 209 D CB -0.112 40.720 40.800 0.053 0.000 0.996 209 D HN 0.068 nan 8.370 nan 0.000 0.497 210 A N 1.043 123.868 122.820 0.008 0.000 1.986 210 A HA -0.099 4.222 4.320 0.001 0.000 0.220 210 A C 2.186 179.621 177.584 -0.249 0.000 1.171 210 A CA 2.217 54.288 52.037 0.056 0.000 0.640 210 A CB -0.483 18.676 19.000 0.265 0.000 0.811 210 A HN 0.244 nan 8.150 nan 0.000 0.451 211 A N -1.280 121.232 122.820 -0.513 0.000 2.030 211 A HA 0.248 4.568 4.320 0.001 0.000 0.215 211 A C 1.998 179.215 177.584 -0.613 0.000 1.164 211 A CA 1.003 52.310 52.037 -1.217 0.000 0.697 211 A CB -0.330 18.089 19.000 -0.968 0.000 0.827 211 A HN 0.472 nan 8.150 nan 0.000 0.457 212 I N -0.502 119.880 120.570 -0.313 0.000 2.500 212 I HA -0.066 4.105 4.170 0.001 0.000 0.252 212 I C 2.089 178.055 176.117 -0.252 0.000 1.142 212 I CA 0.622 61.811 61.300 -0.185 0.000 1.451 212 I CB 0.067 38.059 38.000 -0.013 0.000 1.093 212 I HN 0.269 nan 8.210 nan 0.000 0.430 213 L N -0.498 120.560 121.223 -0.275 0.000 2.056 213 L HA -0.216 4.124 4.340 0.001 0.000 0.207 213 L C 2.567 179.221 176.870 -0.359 0.000 1.078 213 L CA 1.045 55.701 54.840 -0.307 0.000 0.749 213 L CB -0.523 41.386 42.059 -0.249 0.000 0.901 213 L HN 0.273 nan 8.230 nan 0.000 0.433 214 M N -0.318 118.971 119.600 -0.519 0.000 2.073 214 M HA -0.266 4.215 4.480 0.001 0.000 0.258 214 M C 1.999 177.979 176.300 -0.535 0.000 1.070 214 M CA 1.668 56.488 55.300 -0.799 0.000 1.103 214 M CB -1.178 30.300 32.600 -1.871 0.000 1.321 214 M HN 0.127 nan 8.290 nan 0.000 0.405 215 E N 0.076 120.101 120.200 -0.292 0.000 2.533 215 E HA -0.092 4.258 4.350 0.001 0.000 0.203 215 E C 1.331 177.907 176.600 -0.039 0.000 1.101 215 E CA 0.557 57.003 56.400 0.078 0.000 0.894 215 E CB -0.061 29.723 29.700 0.140 0.000 0.843 215 E HN 0.303 nan 8.360 nan 0.000 0.552 216 I N -0.033 120.452 120.570 -0.141 0.000 4.033 216 I HA 0.103 4.273 4.170 0.001 0.000 0.296 216 I C 0.911 176.959 176.117 -0.115 0.000 1.210 216 I CA 0.047 61.266 61.300 -0.135 0.000 1.341 216 I CB 0.096 37.968 38.000 -0.213 0.000 1.369 216 I HN 0.184 nan 8.210 nan 0.000 0.453 217 I N 0.884 121.359 120.570 -0.158 0.000 2.204 217 I HA 0.341 4.511 4.170 0.001 0.000 0.285 217 I C 0.155 176.226 176.117 -0.076 0.000 1.112 217 I CA 0.060 61.287 61.300 -0.121 0.000 1.502 217 I CB -0.445 37.464 38.000 -0.152 0.000 1.499 217 I HN 0.127 nan 8.210 nan 0.000 0.661 218 S N 2.256 117.939 115.700 -0.029 0.000 3.003 218 S HA 0.923 5.393 4.470 0.001 0.000 0.313 218 S C 0.070 174.687 174.600 0.028 0.000 1.230 218 S CA -0.358 57.855 58.200 0.021 0.000 0.977 218 S CB 0.822 64.081 63.200 0.099 0.000 1.340 218 S HN 1.572 nan 8.310 nan 0.000 0.608 219 G N 0.536 109.367 108.800 0.051 0.000 2.712 219 G HA2 0.015 3.975 3.960 0.001 0.000 0.686 219 G HA3 0.015 3.975 3.960 0.001 0.000 0.686 219 G C -0.523 174.375 174.900 -0.003 0.000 1.321 219 G CA -0.295 44.819 45.100 0.024 0.000 0.813 219 G HN 0.839 nan 8.290 nan 0.000 0.599 220 R N 0.433 120.924 120.500 -0.016 0.000 2.756 220 R HA 0.365 4.706 4.340 0.001 0.000 0.264 220 R C -0.629 175.650 176.300 -0.035 0.000 1.026 220 R CA 0.573 56.654 56.100 -0.032 0.000 1.121 220 R CB 0.402 30.681 30.300 -0.034 0.000 0.999 220 R HN 0.627 nan 8.270 nan 0.000 0.449 221 D N 0.639 121.013 120.400 -0.043 0.000 2.879 221 D HA 0.060 4.700 4.640 0.001 0.000 0.236 221 D C -0.327 175.935 176.300 -0.063 0.000 1.171 221 D CA -0.493 53.472 54.000 -0.059 0.000 0.868 221 D CB 1.574 42.334 40.800 -0.066 0.000 1.598 221 D HN 0.588 nan 8.370 nan 0.000 0.497 222 E N 1.450 121.604 120.200 -0.077 0.000 2.485 222 E HA 0.069 4.420 4.350 0.001 0.000 0.194 222 E C 0.206 176.754 176.600 -0.086 0.000 1.098 222 E CA 0.281 56.642 56.400 -0.066 0.000 0.878 222 E CB -0.027 29.638 29.700 -0.059 0.000 0.939 222 E HN 0.213 nan 8.360 nan 0.000 0.503 223 N N 0.556 119.175 118.700 -0.134 0.000 2.171 223 N HA 0.013 4.753 4.740 0.001 0.000 0.212 223 N C -0.747 174.817 175.510 0.090 0.000 1.184 223 N CA 0.107 53.053 53.050 -0.173 0.000 0.888 223 N CB 0.803 38.775 38.487 -0.858 0.000 1.038 223 N HN 0.128 nan 8.380 nan 0.000 0.517 224 D N 0.245 120.675 120.400 0.049 0.000 2.575 224 D HA 0.310 4.951 4.640 0.001 0.000 0.250 224 D C -0.250 176.063 176.300 0.022 0.000 1.279 224 D CA -0.533 53.514 54.000 0.079 0.000 0.925 224 D CB 1.530 42.374 40.800 0.074 0.000 1.261 224 D HN -0.006 nan 8.370 nan 0.000 0.567 225 A N 2.797 125.635 122.820 0.031 0.000 2.261 225 A HA 0.132 4.452 4.320 0.001 0.000 0.208 225 A C 1.093 178.680 177.584 0.006 0.000 1.223 225 A CA 0.671 52.716 52.037 0.013 0.000 0.833 225 A CB -0.398 18.615 19.000 0.022 0.000 0.830 225 A HN 0.485 nan 8.150 nan 0.000 0.483 226 T N -3.483 111.066 114.554 -0.008 0.000 3.374 226 T HA 0.300 4.650 4.350 0.001 0.000 0.267 226 T C 0.429 175.037 174.700 -0.153 0.000 0.996 226 T CA 0.414 62.494 62.100 -0.034 0.000 0.977 226 T CB -0.572 68.322 68.868 0.043 0.000 1.149 226 T HN 0.346 nan 8.240 nan 0.000 0.517 227 T N -2.424 112.058 114.554 -0.120 0.000 3.262 227 T HA 0.326 4.676 4.350 0.001 0.000 0.300 227 T C 0.457 175.086 174.700 -0.119 0.000 0.959 227 T CA -0.267 61.743 62.100 -0.149 0.000 0.936 227 T CB -0.191 68.611 68.868 -0.110 0.000 1.169 227 T HN 0.209 nan 8.240 nan 0.000 0.532 228 V N 4.338 124.189 119.914 -0.104 0.000 2.902 228 V HA -0.026 4.094 4.120 0.001 0.000 0.297 228 V C 1.104 177.140 176.094 -0.098 0.000 1.230 228 V CA 0.328 62.577 62.300 -0.086 0.000 1.344 228 V CB -0.496 31.284 31.823 -0.071 0.000 0.889 228 V HN 0.936 nan 8.190 nan 0.000 0.515 229 N N 5.415 124.076 118.700 -0.066 0.000 2.202 229 N HA 0.246 4.986 4.740 0.001 0.000 0.218 229 N C -0.198 175.276 175.510 -0.061 0.000 1.328 229 N CA -0.301 52.718 53.050 -0.052 0.000 0.884 229 N CB 0.527 38.993 38.487 -0.034 0.000 1.106 229 N HN 0.678 nan 8.380 nan 0.000 0.439 230 R N -1.087 119.388 120.500 -0.042 0.000 2.725 230 R HA 0.081 4.421 4.340 0.001 0.000 0.254 230 R C -1.660 174.620 176.300 -0.034 0.000 1.076 230 R CA -0.844 55.234 56.100 -0.037 0.000 0.940 230 R CB 0.984 31.260 30.300 -0.040 0.000 1.260 230 R HN 0.683 nan 8.270 nan 0.000 0.466 231 K N 2.646 123.026 120.400 -0.034 0.000 2.083 231 K HA 0.167 4.487 4.320 0.001 0.000 0.246 231 K C -0.725 175.824 176.600 -0.085 0.000 1.160 231 K CA -0.140 56.118 56.287 -0.049 0.000 1.060 231 K CB -0.017 32.463 32.500 -0.033 0.000 1.417 231 K HN 0.330 nan 8.250 nan 0.000 0.329 232 V N 0.295 120.121 119.914 -0.146 0.000 2.444 232 V HA 0.512 4.633 4.120 0.001 0.000 0.294 232 V C -0.651 175.114 176.094 -0.548 0.000 1.022 232 V CA -1.025 61.095 62.300 -0.300 0.000 0.850 232 V CB 1.698 33.349 31.823 -0.287 0.000 0.992 232 V HN 0.389 nan 8.190 nan 0.000 0.426 233 D N 3.032 123.129 120.400 -0.505 0.000 2.391 233 D HA 0.518 5.158 4.640 0.001 0.000 0.245 233 D C -0.100 175.907 176.300 -0.488 0.000 1.069 233 D CA -0.486 53.241 54.000 -0.454 0.000 0.831 233 D CB 1.854 42.543 40.800 -0.186 0.000 1.204 233 D HN 0.487 nan 8.370 nan 0.000 0.503 234 F N 2.128 122.029 119.950 -0.082 0.000 2.749 234 F HA 0.200 4.727 4.527 0.000 0.000 0.300 234 F C 0.699 176.360 175.800 -0.231 0.000 1.103 234 F CA -0.234 57.637 58.000 -0.216 0.000 1.342 234 F CB 0.298 39.003 39.000 -0.491 0.000 1.098 234 F HN 0.149 nan 8.300 nan 0.000 0.586 235 L N -1.766 119.456 121.223 -0.002 0.000 2.535 235 L HA 0.550 4.890 4.340 0.001 0.000 0.259 235 L C 1.571 178.443 176.870 0.003 0.000 1.263 235 L CA -0.204 54.633 54.840 -0.005 0.000 1.282 235 L CB 0.388 42.450 42.059 0.004 0.000 1.901 235 L HN -0.058 nan 8.230 nan 0.000 0.572 236 S N -0.686 115.020 115.700 0.010 0.000 2.260 236 S HA -0.219 4.251 4.470 0.001 0.000 0.243 236 S C 1.020 175.632 174.600 0.019 0.000 1.065 236 S CA 1.603 59.809 58.200 0.011 0.000 2.199 236 S CB -1.104 62.096 63.200 0.000 0.000 1.307 236 S HN 0.768 nan 8.310 nan 0.000 0.497 237 E N 1.689 121.904 120.200 0.024 0.000 2.465 237 E HA 0.300 4.650 4.350 0.001 0.000 0.191 237 E C 1.547 178.179 176.600 0.053 0.000 1.053 237 E CA 0.287 56.708 56.400 0.035 0.000 0.869 237 E CB -0.261 29.460 29.700 0.035 0.000 0.977 237 E HN 0.765 nan 8.360 nan 0.000 0.483 238 I N 1.443 122.047 120.570 0.056 0.000 2.052 238 I HA -0.228 3.943 4.170 0.001 0.000 0.235 238 I C 0.509 176.667 176.117 0.067 0.000 1.046 238 I CA 1.478 62.823 61.300 0.076 0.000 1.308 238 I CB 0.194 38.228 38.000 0.057 0.000 1.031 238 I HN -0.092 nan 8.210 nan 0.000 0.395 239 E N 2.942 123.172 120.200 0.050 0.000 1.775 239 E HA 0.020 4.371 4.350 0.001 0.000 0.266 239 E C -0.478 176.145 176.600 0.038 0.000 1.191 239 E CA 0.333 56.758 56.400 0.043 0.000 1.048 239 E CB -0.283 29.438 29.700 0.034 0.000 1.081 239 E HN 0.445 nan 8.360 nan 0.000 0.434 240 E N 1.556 121.781 120.200 0.042 0.000 2.934 240 E HA 0.165 4.516 4.350 0.001 0.000 0.343 240 E C -0.143 176.480 176.600 0.039 0.000 1.148 240 E CA -0.386 56.036 56.400 0.037 0.000 0.803 240 E CB 0.319 30.041 29.700 0.038 0.000 1.541 240 E HN 0.459 nan 8.360 nan 0.000 0.380 241 G N 1.508 110.326 108.800 0.030 0.000 2.168 241 G HA2 -0.082 3.879 3.960 0.001 0.000 0.240 241 G HA3 -0.082 3.879 3.960 0.001 0.000 0.240 241 G C 0.754 175.673 174.900 0.031 0.000 1.080 241 G CA 0.243 45.357 45.100 0.023 0.000 0.877 241 G HN 0.564 nan 8.290 nan 0.000 0.446 242 V N 1.536 121.477 119.914 0.045 0.000 2.278 242 V HA 0.166 4.287 4.120 0.001 0.000 0.235 242 V C 1.312 177.418 176.094 0.020 0.000 1.281 242 V CA 0.675 63.019 62.300 0.075 0.000 1.351 242 V CB 0.069 31.990 31.823 0.162 0.000 1.411 242 V HN 0.627 nan 8.190 nan 0.000 0.491 243 S N 3.132 118.844 115.700 0.020 0.000 2.605 243 S HA 0.424 4.894 4.470 0.001 0.000 0.217 243 S C 1.114 175.718 174.600 0.006 0.000 0.958 243 S CA 0.470 58.670 58.200 -0.001 0.000 0.919 243 S CB -0.225 62.977 63.200 0.003 0.000 0.780 243 S HN 1.196 nan 8.310 nan 0.000 0.507 244 G N 1.553 110.371 108.800 0.029 0.000 4.574 244 G HA2 0.391 4.351 3.960 0.001 0.000 0.236 244 G HA3 0.391 4.351 3.960 0.001 0.000 0.236 244 G C -0.822 174.126 174.900 0.079 0.000 1.733 244 G CA -0.489 44.634 45.100 0.039 0.000 0.605 244 G HN 0.323 nan 8.290 nan 0.000 0.352 245 M N 0.827 120.495 119.600 0.115 0.000 2.386 245 M HA 0.429 4.910 4.480 0.001 0.000 0.293 245 M C -0.377 176.090 176.300 0.278 0.000 1.120 245 M CA -0.708 54.729 55.300 0.230 0.000 0.909 245 M CB 3.023 35.857 32.600 0.391 0.000 1.661 245 M HN 0.002 nan 8.290 nan 0.000 0.452 246 K N 1.639 122.202 120.400 0.271 0.000 2.185 246 K HA 0.580 4.900 4.320 0.001 0.000 0.271 246 K C -1.180 175.592 176.600 0.287 0.000 1.013 246 K CA -0.076 56.360 56.287 0.248 0.000 0.943 246 K CB 0.912 33.595 32.500 0.305 0.000 0.998 246 K HN 0.285 nan 8.250 nan 0.000 0.468 247 F N -0.019 119.673 119.950 -0.431 0.000 2.790 247 F HA 0.717 5.244 4.527 0.001 0.000 0.386 247 F C -0.267 174.927 175.800 -1.010 0.000 1.206 247 F CA -1.234 56.410 58.000 -0.594 0.000 1.109 247 F CB 1.111 39.934 39.000 -0.296 0.000 1.469 247 F HN 0.529 nan 8.300 nan 0.000 0.513 248 A N 0.044 122.637 122.820 -0.377 0.000 2.574 248 A HA 0.758 5.078 4.320 0.001 0.000 0.297 248 A C -2.085 175.478 177.584 -0.036 0.000 1.062 248 A CA -0.585 51.301 52.037 -0.251 0.000 0.686 248 A CB 1.617 20.527 19.000 -0.150 0.000 1.285 248 A HN 0.445 nan 8.150 nan 0.000 0.403 249 V N 2.515 122.443 119.914 0.023 0.000 2.841 249 V HA 0.529 4.649 4.120 0.001 0.000 0.310 249 V C -2.250 173.858 176.094 0.024 0.000 1.090 249 V CA -1.564 60.756 62.300 0.033 0.000 0.930 249 V CB 2.321 34.194 31.823 0.085 0.000 1.014 249 V HN 0.857 nan 8.190 nan 0.000 0.425 250 P HA 0.167 nan 4.420 nan 0.000 0.286 250 P C 0.097 177.390 177.300 -0.011 0.000 1.278 250 P CA 0.163 63.243 63.100 -0.033 0.000 0.785 250 P CB 0.748 32.394 31.700 -0.091 0.000 1.269 251 E N -1.219 118.981 120.200 -0.000 0.000 2.940 251 E HA -0.014 4.337 4.350 0.001 0.000 0.203 251 E C 1.413 178.045 176.600 0.052 0.000 0.995 251 E CA 0.267 56.696 56.400 0.049 0.000 1.396 251 E CB -0.710 29.017 29.700 0.045 0.000 1.310 251 E HN 0.517 nan 8.360 nan 0.000 0.613 252 E N 1.306 121.522 120.200 0.026 0.000 2.516 252 E HA -0.063 4.287 4.350 0.001 0.000 0.199 252 E C 1.727 178.365 176.600 0.063 0.000 1.069 252 E CA -0.030 56.395 56.400 0.041 0.000 0.876 252 E CB -0.021 29.689 29.700 0.018 0.000 0.843 252 E HN 0.010 nan 8.360 nan 0.000 0.530 253 I N 0.548 121.102 120.570 -0.027 0.000 2.502 253 I HA -0.267 3.903 4.170 0.001 0.000 0.258 253 I C 0.259 176.190 176.117 -0.311 0.000 1.172 253 I CA 1.371 62.557 61.300 -0.189 0.000 1.430 253 I CB -0.021 37.683 38.000 -0.493 0.000 1.086 253 I HN 0.128 nan 8.210 nan 0.000 0.440 254 Y N 0.813 121.138 120.300 0.042 0.000 2.672 254 Y HA 0.422 4.973 4.550 0.001 0.000 0.272 254 Y C 0.327 176.246 175.900 0.031 0.000 1.055 254 Y CA -0.807 57.311 58.100 0.030 0.000 1.151 254 Y CB 0.010 38.480 38.460 0.017 0.000 1.190 254 Y HN 0.216 nan 8.280 nan 0.000 0.574 255 E N -0.863 119.429 120.200 0.153 0.000 3.521 255 E HA 0.169 4.519 4.350 0.001 0.000 0.183 255 E C -0.010 176.586 176.600 -0.007 0.000 0.981 255 E CA 0.120 56.558 56.400 0.062 0.000 1.349 255 E CB 0.719 30.429 29.700 0.016 0.000 1.102 255 E HN 0.416 nan 8.360 nan 0.000 0.449 256 H N 0.455 119.540 119.070 0.026 0.000 4.819 256 H HA 0.260 4.816 4.556 0.001 0.000 0.100 256 H C -0.493 174.837 175.328 0.004 0.000 1.259 256 H CA 0.349 56.395 56.048 -0.004 0.000 0.709 256 H CB 1.394 31.137 29.762 -0.032 0.000 1.480 256 H HN -0.017 nan 8.280 nan 0.000 0.183 257 D N 0.726 121.241 120.400 0.193 0.000 3.474 257 D HA 0.136 4.776 4.640 0.001 0.000 0.206 257 D C -0.665 175.672 176.300 0.061 0.000 1.415 257 D CA -0.038 54.022 54.000 0.100 0.000 1.335 257 D CB -0.225 40.618 40.800 0.071 0.000 1.215 257 D HN 0.212 nan 8.370 nan 0.000 0.753 258 I N 0.288 120.903 120.570 0.076 0.000 2.775 258 I HA -0.016 4.154 4.170 0.001 0.000 0.290 258 I C 1.248 177.389 176.117 0.040 0.000 1.203 258 I CA 0.085 61.417 61.300 0.053 0.000 1.433 258 I CB 0.362 38.407 38.000 0.075 0.000 1.354 258 I HN 0.061 nan 8.210 nan 0.000 0.579 259 E N 5.029 125.240 120.200 0.020 0.000 2.529 259 E HA -0.153 4.197 4.350 0.001 0.000 0.259 259 E C 0.808 177.426 176.600 0.030 0.000 0.966 259 E CA 0.201 56.611 56.400 0.015 0.000 0.937 259 E CB 0.633 30.335 29.700 0.004 0.000 0.923 259 E HN 0.562 nan 8.360 nan 0.000 0.468 260 E N 3.591 123.807 120.200 0.026 0.000 2.055 260 E HA -0.198 4.152 4.350 0.001 0.000 0.209 260 E C 1.755 178.381 176.600 0.042 0.000 1.036 260 E CA 2.309 58.730 56.400 0.035 0.000 0.849 260 E CB -0.832 28.882 29.700 0.023 0.000 0.767 260 E HN 0.746 nan 8.360 nan 0.000 0.461 261 G N -0.594 108.222 108.800 0.026 0.000 2.537 261 G HA2 -0.191 3.769 3.960 0.001 0.000 0.220 261 G HA3 -0.191 3.769 3.960 0.001 0.000 0.220 261 G C 1.427 176.354 174.900 0.045 0.000 1.111 261 G CA 1.109 46.225 45.100 0.025 0.000 0.748 261 G HN 0.220 nan 8.290 nan 0.000 0.564 262 V N 0.360 120.307 119.914 0.055 0.000 2.300 262 V HA -0.061 4.059 4.120 0.001 0.000 0.233 262 V C 2.737 178.913 176.094 0.136 0.000 1.052 262 V CA 1.791 64.137 62.300 0.077 0.000 1.026 262 V CB -0.848 31.009 31.823 0.057 0.000 0.661 262 V HN 0.394 nan 8.190 nan 0.000 0.470 263 S N -0.757 115.012 115.700 0.114 0.000 2.462 263 S HA -0.264 4.206 4.470 0.001 0.000 0.243 263 S C 1.895 176.688 174.600 0.322 0.000 1.003 263 S CA 2.006 60.313 58.200 0.178 0.000 0.970 263 S CB -0.357 62.939 63.200 0.160 0.000 0.762 263 S HN 0.664 nan 8.310 nan 0.000 0.510 264 E N 0.575 120.899 120.200 0.207 0.000 2.001 264 E HA -0.091 4.259 4.350 0.001 0.000 0.193 264 E C 1.418 178.128 176.600 0.184 0.000 0.994 264 E CA 0.696 57.199 56.400 0.170 0.000 0.815 264 E CB -0.109 29.653 29.700 0.104 0.000 0.770 264 E HN 0.257 nan 8.360 nan 0.000 0.453 265 R N 0.113 120.702 120.500 0.150 0.000 2.346 265 R HA -0.015 4.325 4.340 0.001 0.000 0.208 265 R C 1.444 177.879 176.300 0.225 0.000 1.052 265 R CA 0.236 56.396 56.100 0.100 0.000 1.116 265 R CB -0.650 29.647 30.300 -0.006 0.000 1.003 265 R HN 0.358 nan 8.270 nan 0.000 0.482 266 F N 0.918 120.962 119.950 0.156 0.000 2.399 266 F HA 0.095 4.623 4.527 0.000 0.000 0.282 266 F C 1.879 177.804 175.800 0.209 0.000 1.027 266 F CA 0.368 58.492 58.000 0.206 0.000 1.333 266 F CB 0.111 39.182 39.000 0.119 0.000 1.132 266 F HN -0.097 nan 8.300 nan 0.000 0.590 267 E N 1.106 121.433 120.200 0.211 0.000 2.393 267 E HA -0.200 4.150 4.350 0.001 0.000 0.201 267 E C 1.838 178.424 176.600 -0.024 0.000 1.025 267 E CA 1.278 57.709 56.400 0.051 0.000 0.856 267 E CB -0.296 29.520 29.700 0.193 0.000 0.771 267 E HN 0.608 nan 8.360 nan 0.000 0.526 268 E N -0.643 119.607 120.200 0.084 0.000 2.047 268 E HA -0.169 4.181 4.350 0.001 0.000 0.191 268 E C 2.074 178.747 176.600 0.121 0.000 0.987 268 E CA 0.820 57.328 56.400 0.180 0.000 0.799 268 E CB -0.190 29.702 29.700 0.320 0.000 0.752 268 E HN 0.343 nan 8.360 nan 0.000 0.449 269 A N 1.349 124.182 122.820 0.022 0.000 1.958 269 A HA -0.236 4.084 4.320 0.001 0.000 0.221 269 A C 2.118 179.488 177.584 -0.356 0.000 1.178 269 A CA 1.354 53.153 52.037 -0.397 0.000 0.642 269 A CB -0.654 18.003 19.000 -0.571 0.000 0.816 269 A HN 0.084 nan 8.150 nan 0.000 0.453 270 L N -0.233 120.776 121.223 -0.356 0.000 1.944 270 L HA -0.231 4.109 4.340 0.001 0.000 0.218 270 L C 2.576 179.338 176.870 -0.181 0.000 1.075 270 L CA 2.409 57.098 54.840 -0.251 0.000 0.767 270 L CB -0.602 41.357 42.059 -0.167 0.000 0.890 270 L HN 0.288 nan 8.230 nan 0.000 0.434 271 K N -0.953 119.381 120.400 -0.111 0.000 2.103 271 K HA -0.018 4.302 4.320 0.001 0.000 0.204 271 K C 1.817 178.373 176.600 -0.073 0.000 1.052 271 K CA 0.541 56.782 56.287 -0.077 0.000 0.945 271 K CB -0.269 32.210 32.500 -0.035 0.000 0.722 271 K HN 0.133 nan 8.250 nan 0.000 0.443 272 L N 1.567 122.761 121.223 -0.048 0.000 2.642 272 L HA -0.117 4.223 4.340 0.001 0.000 0.236 272 L C 1.828 178.633 176.870 -0.108 0.000 1.169 272 L CA 0.969 55.792 54.840 -0.028 0.000 0.851 272 L CB -0.636 41.474 42.059 0.084 0.000 0.968 272 L HN 0.183 nan 8.230 nan 0.000 0.453 273 L N -0.921 120.201 121.223 -0.170 0.000 2.435 273 L HA 0.040 4.380 4.340 0.001 0.000 0.195 273 L C 2.117 178.869 176.870 -0.197 0.000 1.072 273 L CA 0.971 55.678 54.840 -0.221 0.000 0.833 273 L CB -0.431 41.426 42.059 -0.336 0.000 1.081 273 L HN 0.193 nan 8.230 nan 0.000 0.485 274 E N -0.216 119.873 120.200 -0.185 0.000 2.273 274 E HA -0.224 4.127 4.350 0.001 0.000 0.198 274 E C 1.973 178.516 176.600 -0.095 0.000 1.002 274 E CA 0.821 57.136 56.400 -0.142 0.000 0.828 274 E CB 0.019 29.649 29.700 -0.116 0.000 0.747 274 E HN 0.367 nan 8.360 nan 0.000 0.491 275 R N 0.190 120.641 120.500 -0.082 0.000 2.189 275 R HA -0.038 4.303 4.340 0.001 0.000 0.218 275 R C 1.798 178.067 176.300 -0.052 0.000 1.074 275 R CA 0.695 56.763 56.100 -0.054 0.000 0.991 275 R CB 0.016 30.294 30.300 -0.038 0.000 0.883 275 R HN 0.235 nan 8.270 nan 0.000 0.457 276 L N -1.154 120.027 121.223 -0.071 0.000 2.607 276 L HA 0.345 4.685 4.340 0.001 0.000 0.228 276 L C 0.601 177.433 176.870 -0.064 0.000 1.123 276 L CA 0.035 54.839 54.840 -0.060 0.000 0.890 276 L CB 0.234 42.255 42.059 -0.065 0.000 1.103 276 L HN 0.147 nan 8.230 nan 0.000 0.468 277 G N 1.171 109.923 108.800 -0.080 0.000 2.898 277 G HA2 0.134 4.094 3.960 0.001 0.000 0.267 277 G HA3 0.134 4.094 3.960 0.001 0.000 0.267 277 G C -0.338 174.506 174.900 -0.094 0.000 1.061 277 G CA -0.164 44.893 45.100 -0.072 0.000 1.230 277 G HN 0.629 nan 8.290 nan 0.000 0.569 278 A N 1.756 124.489 122.820 -0.145 0.000 2.540 278 A HA 0.781 5.102 4.320 0.001 0.000 0.297 278 A C -0.017 177.445 177.584 -0.205 0.000 1.056 278 A CA -0.778 51.145 52.037 -0.190 0.000 0.700 278 A CB 1.095 19.887 19.000 -0.346 0.000 1.280 278 A HN 0.614 nan 8.150 nan 0.000 0.398 279 K N 1.556 121.884 120.400 -0.120 0.000 2.351 279 K HA 0.221 4.542 4.320 0.001 0.000 0.287 279 K C 0.730 177.251 176.600 -0.131 0.000 1.068 279 K CA 0.166 56.407 56.287 -0.077 0.000 0.998 279 K CB 0.451 32.959 32.500 0.012 0.000 0.968 279 K HN 0.772 nan 8.250 nan 0.000 0.464 280 V N 1.448 121.278 119.914 -0.140 0.000 3.140 280 V HA 0.026 4.146 4.120 0.001 0.000 0.379 280 V C 0.580 176.651 176.094 -0.037 0.000 1.296 280 V CA -0.517 61.705 62.300 -0.129 0.000 1.351 280 V CB -1.199 30.530 31.823 -0.156 0.000 1.311 280 V HN 0.643 nan 8.190 nan 0.000 0.508 281 E N 1.423 121.615 120.200 -0.014 0.000 2.585 281 E HA 0.437 4.787 4.350 0.001 0.000 0.256 281 E C -0.528 176.101 176.600 0.048 0.000 1.383 281 E CA -0.715 55.706 56.400 0.035 0.000 1.029 281 E CB 0.440 30.185 29.700 0.076 0.000 1.044 281 E HN 0.498 nan 8.360 nan 0.000 0.595 282 R N -0.866 119.689 120.500 0.092 0.000 2.771 282 R HA 0.540 4.881 4.340 0.001 0.000 0.274 282 R C -1.085 175.300 176.300 0.141 0.000 0.987 282 R CA -0.762 55.403 56.100 0.108 0.000 0.908 282 R CB 2.285 32.651 30.300 0.110 0.000 1.213 282 R HN 0.549 nan 8.270 nan 0.000 0.468 283 V N -1.714 118.287 119.914 0.146 0.000 2.925 283 V HA 0.649 4.769 4.120 0.001 0.000 0.311 283 V C -0.904 175.247 176.094 0.094 0.000 1.104 283 V CA -1.019 61.361 62.300 0.133 0.000 0.954 283 V CB 2.257 34.186 31.823 0.175 0.000 1.022 283 V HN 0.545 nan 8.190 nan 0.000 0.427 284 K N 3.612 124.054 120.400 0.071 0.000 2.281 284 K HA 0.520 4.840 4.320 0.001 0.000 0.272 284 K C -1.125 175.501 176.600 0.044 0.000 1.048 284 K CA -0.483 55.835 56.287 0.051 0.000 0.898 284 K CB 0.968 33.491 32.500 0.039 0.000 1.128 284 K HN 0.801 nan 8.250 nan 0.000 0.460 285 I N 5.275 125.869 120.570 0.040 0.000 2.359 285 I HA 0.415 4.586 4.170 0.001 0.000 0.294 285 I C -1.730 174.396 176.117 0.015 0.000 0.987 285 I CA -2.621 58.705 61.300 0.043 0.000 1.225 285 I CB 0.835 38.866 38.000 0.052 0.000 1.366 285 I HN 0.358 nan 8.210 nan 0.000 0.466 286 P HA 0.029 nan 4.420 nan 0.000 0.206 286 P C 1.206 178.433 177.300 -0.121 0.000 1.198 286 P CA 1.202 64.249 63.100 -0.090 0.000 0.902 286 P CB -0.004 31.616 31.700 -0.133 0.000 0.740 287 H N -0.366 118.724 119.070 0.033 0.000 2.492 287 H HA -0.056 4.500 4.556 0.001 0.000 0.296 287 H C 1.953 177.336 175.328 0.093 0.000 1.095 287 H CA 0.663 56.787 56.048 0.127 0.000 1.281 287 H CB -0.809 29.067 29.762 0.190 0.000 1.374 287 H HN 0.047 nan 8.280 nan 0.000 0.545 288 I N 1.598 122.243 120.570 0.125 0.000 2.530 288 I HA -0.302 3.868 4.170 0.001 0.000 0.257 288 I C 2.137 178.254 176.117 -0.001 0.000 1.179 288 I CA 1.415 62.760 61.300 0.075 0.000 1.440 288 I CB -0.580 37.451 38.000 0.051 0.000 1.087 288 I HN 0.298 nan 8.210 nan 0.000 0.440 289 K N 0.235 120.547 120.400 -0.146 0.000 2.189 289 K HA -0.261 4.059 4.320 0.001 0.000 0.207 289 K C 1.775 178.213 176.600 -0.270 0.000 1.046 289 K CA 2.134 58.244 56.287 -0.294 0.000 0.928 289 K CB -0.287 31.886 32.500 -0.545 0.000 0.720 289 K HN 0.375 nan 8.250 nan 0.000 0.458 290 Y N -0.034 120.296 120.300 0.050 0.000 2.262 290 Y HA 0.060 4.610 4.550 0.001 0.000 0.295 290 Y C 2.516 178.454 175.900 0.064 0.000 1.121 290 Y CA 0.635 58.767 58.100 0.055 0.000 1.144 290 Y CB -0.746 37.751 38.460 0.062 0.000 1.043 290 Y HN 0.003 nan 8.280 nan 0.000 0.528 291 S N 0.090 115.922 115.700 0.220 0.000 2.396 291 S HA -0.385 4.085 4.470 0.001 0.000 0.476 291 S C 2.115 176.823 174.600 0.180 0.000 1.048 291 S CA 2.449 60.742 58.200 0.154 0.000 2.784 291 S CB -1.454 61.801 63.200 0.092 0.000 2.036 291 S HN 0.363 nan 8.310 nan 0.000 0.520 292 V N 1.842 121.852 119.914 0.160 0.000 2.392 292 V HA -0.203 3.917 4.120 0.001 0.000 0.249 292 V C 2.440 178.733 176.094 0.332 0.000 1.059 292 V CA 2.619 65.064 62.300 0.241 0.000 1.051 292 V CB -1.092 30.816 31.823 0.142 0.000 0.658 292 V HN 0.687 nan 8.190 nan 0.000 0.455 293 A N -1.161 121.793 122.820 0.223 0.000 1.933 293 A HA -0.206 4.115 4.320 0.001 0.000 0.218 293 A C 2.315 179.990 177.584 0.152 0.000 1.175 293 A CA 2.552 54.698 52.037 0.183 0.000 0.628 293 A CB -0.895 18.206 19.000 0.170 0.000 0.814 293 A HN 0.568 nan 8.150 nan 0.000 0.444 294 T N -1.941 112.702 114.554 0.149 0.000 2.896 294 T HA -0.081 4.270 4.350 0.001 0.000 0.263 294 T C 1.734 176.461 174.700 0.044 0.000 1.050 294 T CA 1.336 63.471 62.100 0.060 0.000 1.140 294 T CB -0.366 68.535 68.868 0.056 0.000 0.877 294 T HN 0.653 nan 8.240 nan 0.000 0.457 295 Y N 0.232 120.526 120.300 -0.011 0.000 2.439 295 Y HA -0.013 4.537 4.550 0.001 0.000 0.292 295 Y C 1.460 177.243 175.900 -0.195 0.000 1.130 295 Y CA 0.791 58.829 58.100 -0.103 0.000 1.254 295 Y CB -0.180 38.231 38.460 -0.082 0.000 1.000 295 Y HN 0.200 nan 8.280 nan 0.000 0.554 296 Y N -1.039 119.277 120.300 0.026 0.000 2.490 296 Y HA 0.022 4.573 4.550 0.001 0.000 0.281 296 Y C 1.845 177.659 175.900 -0.144 0.000 1.174 296 Y CA 0.259 58.301 58.100 -0.096 0.000 1.295 296 Y CB 0.283 38.742 38.460 -0.002 0.000 1.062 296 Y HN 0.053 nan 8.280 nan 0.000 0.522 297 V N -0.418 119.451 119.914 -0.076 0.000 2.284 297 V HA -0.233 3.887 4.120 0.001 0.000 0.236 297 V C 2.169 178.109 176.094 -0.256 0.000 1.044 297 V CA 1.293 63.514 62.300 -0.132 0.000 1.019 297 V CB -0.562 31.164 31.823 -0.162 0.000 0.657 297 V HN 0.243 nan 8.190 nan 0.000 0.465 298 I N 0.443 120.764 120.570 -0.416 0.000 2.091 298 I HA -0.398 3.772 4.170 0.001 0.000 0.240 298 I C 2.657 178.535 176.117 -0.399 0.000 1.046 298 I CA 2.217 63.220 61.300 -0.494 0.000 1.306 298 I CB -0.562 37.160 38.000 -0.463 0.000 1.018 298 I HN 0.411 nan 8.210 nan 0.000 0.404 299 A N 1.201 123.654 122.820 -0.612 0.000 1.845 299 A HA -0.130 4.191 4.320 0.001 0.000 0.215 299 A C -0.243 177.079 177.584 -0.437 0.000 1.195 299 A CA 2.026 53.621 52.037 -0.737 0.000 0.616 299 A CB -2.095 16.184 19.000 -1.203 0.000 0.832 299 A HN 0.360 nan 8.150 nan 0.000 0.443 300 P HA 0.041 nan 4.420 nan 0.000 0.237 300 P C 1.204 178.500 177.300 -0.006 0.000 1.178 300 P CA 1.347 64.434 63.100 -0.022 0.000 0.766 300 P CB 0.032 31.732 31.700 0.001 0.000 0.876 301 A N 1.372 124.185 122.820 -0.012 0.000 1.840 301 A HA -0.143 4.178 4.320 0.001 0.000 0.214 301 A C 2.193 179.815 177.584 0.064 0.000 1.198 301 A CA 1.160 53.273 52.037 0.126 0.000 0.608 301 A CB -1.173 18.058 19.000 0.385 0.000 0.839 301 A HN 0.122 nan 8.150 nan 0.000 0.443 302 E N 0.023 120.212 120.200 -0.018 0.000 2.267 302 E HA -0.124 4.226 4.350 0.001 0.000 0.197 302 E C 2.130 178.664 176.600 -0.110 0.000 0.998 302 E CA 0.777 57.128 56.400 -0.082 0.000 0.830 302 E CB -0.266 29.320 29.700 -0.190 0.000 0.751 302 E HN 0.619 nan 8.360 nan 0.000 0.491 303 A N 1.687 124.447 122.820 -0.101 0.000 1.897 303 A HA -0.116 4.204 4.320 0.001 0.000 0.215 303 A C 2.137 179.695 177.584 -0.044 0.000 1.181 303 A CA 1.278 53.304 52.037 -0.018 0.000 0.620 303 A CB -0.321 18.763 19.000 0.139 0.000 0.821 303 A HN 0.260 nan 8.150 nan 0.000 0.443 304 S N -0.114 115.572 115.700 -0.023 0.000 3.009 304 S HA 0.189 4.659 4.470 0.001 0.000 0.243 304 S C 0.845 175.433 174.600 -0.020 0.000 1.012 304 S CA 0.809 58.999 58.200 -0.017 0.000 1.113 304 S CB -0.542 62.670 63.200 0.021 0.000 0.827 304 S HN 1.030 nan 8.310 nan 0.000 0.495 305 S N -0.458 115.217 115.700 -0.041 0.000 2.660 305 S HA 0.101 4.571 4.470 0.001 0.000 0.262 305 S C 1.123 175.677 174.600 -0.077 0.000 1.006 305 S CA -0.202 57.967 58.200 -0.052 0.000 1.174 305 S CB -0.572 62.597 63.200 -0.051 0.000 0.939 305 S HN 0.319 nan 8.310 nan 0.000 0.438 306 N N 1.790 120.446 118.700 -0.074 0.000 2.223 306 N HA 0.141 4.882 4.740 0.001 0.000 0.185 306 N C 1.187 176.632 175.510 -0.108 0.000 1.016 306 N CA 1.295 54.298 53.050 -0.078 0.000 0.863 306 N CB -0.473 37.984 38.487 -0.050 0.000 0.983 306 N HN 0.436 nan 8.380 nan 0.000 0.429 307 L N -0.073 121.100 121.223 -0.083 0.000 2.554 307 L HA 0.269 4.609 4.340 0.001 0.000 0.225 307 L C 1.937 178.815 176.870 0.013 0.000 1.104 307 L CA 0.110 54.946 54.840 -0.007 0.000 0.866 307 L CB -0.152 41.802 42.059 -0.175 0.000 1.047 307 L HN -0.039 nan 8.230 nan 0.000 0.468 308 A N 0.995 123.782 122.820 -0.056 0.000 2.139 308 A HA -0.234 4.087 4.320 0.001 0.000 0.221 308 A C 2.374 179.887 177.584 -0.118 0.000 1.159 308 A CA 1.822 53.843 52.037 -0.028 0.000 0.662 308 A CB -0.627 18.349 19.000 -0.041 0.000 0.796 308 A HN 0.596 nan 8.150 nan 0.000 0.463 309 R N -1.454 118.855 120.500 -0.319 0.000 2.240 309 R HA 0.086 4.426 4.340 0.001 0.000 0.203 309 R C -0.450 175.559 176.300 -0.484 0.000 1.011 309 R CA 0.277 56.109 56.100 -0.446 0.000 1.007 309 R CB -0.378 29.599 30.300 -0.538 0.000 0.911 309 R HN 0.373 nan 8.270 nan 0.000 0.468 310 F N 3.212 123.182 119.950 0.033 0.000 2.423 310 F HA 0.206 4.733 4.527 0.001 0.000 0.356 310 F C -0.243 175.449 175.800 -0.180 0.000 1.170 310 F CA -0.952 57.046 58.000 -0.005 0.000 1.163 310 F CB 0.978 40.100 39.000 0.204 0.000 1.318 310 F HN 0.169 nan 8.300 nan 0.000 0.569 311 D N -0.122 120.151 120.400 -0.212 0.000 2.594 311 D HA 0.179 4.820 4.640 0.001 0.000 0.256 311 D C 1.481 177.519 176.300 -0.438 0.000 1.393 311 D CA -0.013 53.735 54.000 -0.420 0.000 0.797 311 D CB 0.164 40.582 40.800 -0.637 0.000 1.110 311 D HN 0.589 nan 8.370 nan 0.000 0.495 312 G N 0.434 109.070 108.800 -0.275 0.000 2.205 312 G HA2 -0.400 3.561 3.960 0.001 0.000 0.269 312 G HA3 -0.400 3.561 3.960 0.001 0.000 0.269 312 G C 1.203 175.982 174.900 -0.202 0.000 0.977 312 G CA 0.887 45.872 45.100 -0.192 0.000 0.652 312 G HN 0.363 nan 8.290 nan 0.000 0.539 313 V N 1.146 120.878 119.914 -0.304 0.000 2.237 313 V HA -0.091 4.029 4.120 0.001 0.000 0.245 313 V C 2.567 178.550 176.094 -0.185 0.000 1.046 313 V CA 2.795 64.960 62.300 -0.225 0.000 1.007 313 V CB -0.277 31.394 31.823 -0.253 0.000 0.638 313 V HN 0.734 nan 8.190 nan 0.000 0.445 314 K N -0.350 119.866 120.400 -0.307 0.000 2.491 314 K HA 0.169 4.490 4.320 0.001 0.000 0.211 314 K C -0.086 176.463 176.600 -0.084 0.000 1.210 314 K CA 0.006 56.170 56.287 -0.204 0.000 1.003 314 K CB 0.531 32.916 32.500 -0.192 0.000 1.009 314 K HN 0.602 nan 8.250 nan 0.000 0.577 315 Y N -3.215 117.086 120.300 0.002 0.000 2.641 315 Y HA 0.504 5.055 4.550 0.000 0.000 0.333 315 Y C 0.259 176.170 175.900 0.020 0.000 1.174 315 Y CA -0.853 57.267 58.100 0.034 0.000 1.057 315 Y CB 0.920 39.394 38.460 0.024 0.000 1.322 315 Y HN 0.171 nan 8.280 nan 0.000 0.457 316 G N 1.216 110.223 108.800 0.344 0.000 2.520 316 G HA2 -0.155 3.805 3.960 0.001 0.000 0.248 316 G HA3 -0.155 3.805 3.960 0.001 0.000 0.248 316 G C -1.641 173.330 174.900 0.118 0.000 1.161 316 G CA -0.178 45.062 45.100 0.234 0.000 0.946 316 G HN 1.161 nan 8.290 nan 0.000 0.565 317 L N 1.333 122.591 121.223 0.059 0.000 2.357 317 L HA 0.899 5.239 4.340 0.001 0.000 0.273 317 L C 0.444 177.305 176.870 -0.016 0.000 1.080 317 L CA -0.165 54.681 54.840 0.010 0.000 0.803 317 L CB 1.430 43.472 42.059 -0.027 0.000 1.174 317 L HN 0.959 nan 8.230 nan 0.000 0.443 318 R N 4.515 125.008 120.500 -0.011 0.000 2.518 318 R HA 0.468 4.808 4.340 0.001 0.000 0.287 318 R C -1.760 174.536 176.300 -0.007 0.000 1.135 318 R CA -0.581 55.509 56.100 -0.017 0.000 0.967 318 R CB 0.785 31.080 30.300 -0.009 0.000 1.212 318 R HN 0.553 nan 8.270 nan 0.000 0.422 319 I N 4.853 125.418 120.570 -0.008 0.000 2.322 319 I HA 0.138 4.308 4.170 0.001 0.000 0.292 319 I C 0.411 176.534 176.117 0.010 0.000 1.060 319 I CA -0.305 60.996 61.300 0.001 0.000 1.309 319 I CB 1.025 39.025 38.000 0.001 0.000 1.415 319 I HN 0.570 nan 8.210 nan 0.000 0.492 320 K N 5.765 126.171 120.400 0.010 0.000 2.307 320 K HA 0.042 4.362 4.320 0.001 0.000 0.219 320 K C 0.084 176.692 176.600 0.014 0.000 1.220 320 K CA -0.052 56.243 56.287 0.013 0.000 1.208 320 K CB -0.083 32.424 32.500 0.012 0.000 1.270 320 K HN 0.423 nan 8.250 nan 0.000 0.225 321 E N 1.608 121.819 120.200 0.018 0.000 2.266 321 E HA 0.026 4.376 4.350 0.001 0.000 0.277 321 E C 0.879 177.489 176.600 0.017 0.000 1.018 321 E CA -0.200 56.211 56.400 0.018 0.000 0.840 321 E CB 1.405 31.119 29.700 0.023 0.000 1.082 321 E HN 0.346 nan 8.360 nan 0.000 0.395 322 K N 0.856 121.263 120.400 0.011 0.000 2.283 322 K HA 0.025 4.345 4.320 0.001 0.000 0.202 322 K C 0.894 177.497 176.600 0.005 0.000 1.048 322 K CA 0.707 56.999 56.287 0.008 0.000 0.948 322 K CB 0.136 32.639 32.500 0.005 0.000 0.742 322 K HN 0.306 nan 8.250 nan 0.000 0.458 323 G N 0.427 109.230 108.800 0.004 0.000 2.454 323 G HA2 0.408 4.368 3.960 0.001 0.000 0.329 323 G HA3 0.408 4.368 3.960 0.001 0.000 0.329 323 G C -0.153 174.744 174.900 -0.005 0.000 1.177 323 G CA -0.848 44.249 45.100 -0.006 0.000 0.951 323 G HN 0.079 nan 8.290 nan 0.000 0.485 324 L N 0.684 121.888 121.223 -0.032 0.000 2.049 324 L HA 0.099 4.440 4.340 0.001 0.000 0.203 324 L C 2.936 179.735 176.870 -0.118 0.000 1.074 324 L CA 1.344 56.150 54.840 -0.057 0.000 0.749 324 L CB -0.231 41.758 42.059 -0.117 0.000 0.907 324 L HN 0.620 nan 8.230 nan 0.000 0.439 325 R N 0.275 120.691 120.500 -0.141 0.000 2.154 325 R HA -0.224 4.117 4.340 0.001 0.000 0.248 325 R C 1.855 178.134 176.300 -0.035 0.000 1.155 325 R CA 2.064 58.088 56.100 -0.126 0.000 0.979 325 R CB -0.442 29.806 30.300 -0.088 0.000 0.869 325 R HN 0.561 nan 8.270 nan 0.000 0.452 326 E N -0.237 119.959 120.200 -0.006 0.000 2.016 326 E HA -0.190 4.160 4.350 0.001 0.000 0.190 326 E C 2.076 178.715 176.600 0.066 0.000 0.985 326 E CA 1.356 57.771 56.400 0.026 0.000 0.802 326 E CB -0.343 29.367 29.700 0.018 0.000 0.762 326 E HN 0.303 nan 8.360 nan 0.000 0.448 327 M N 0.418 120.069 119.600 0.085 0.000 2.088 327 M HA -0.275 4.205 4.480 0.001 0.000 0.256 327 M C 2.059 178.471 176.300 0.186 0.000 1.071 327 M CA 1.833 57.207 55.300 0.124 0.000 1.097 327 M CB -0.380 32.304 32.600 0.141 0.000 1.315 327 M HN 0.209 nan 8.290 nan 0.000 0.406 328 Y N 0.071 120.360 120.300 -0.019 0.000 2.014 328 Y HA -0.404 4.147 4.550 0.000 0.000 0.272 328 Y C 2.568 178.461 175.900 -0.013 0.000 1.164 328 Y CA 1.939 60.028 58.100 -0.019 0.000 1.114 328 Y CB -0.429 38.026 38.460 -0.008 0.000 0.961 328 Y HN 0.314 nan 8.280 nan 0.000 0.489 329 M N -0.155 119.559 119.600 0.190 0.000 2.059 329 M HA -0.263 4.217 4.480 0.001 0.000 0.259 329 M C 2.212 178.550 176.300 0.064 0.000 1.072 329 M CA 1.762 57.130 55.300 0.113 0.000 1.117 329 M CB -0.561 32.094 32.600 0.091 0.000 1.320 329 M HN 0.085 nan 8.290 nan 0.000 0.408 330 K N -0.386 120.045 120.400 0.052 0.000 2.442 330 K HA -0.099 4.221 4.320 0.001 0.000 0.198 330 K C 1.570 178.171 176.600 0.002 0.000 1.044 330 K CA 1.108 57.411 56.287 0.027 0.000 0.948 330 K CB 0.087 32.602 32.500 0.025 0.000 0.762 330 K HN 0.307 nan 8.250 nan 0.000 0.472 331 T N -0.241 114.305 114.554 -0.013 0.000 2.901 331 T HA 0.045 4.396 4.350 0.001 0.000 0.252 331 T C 1.474 176.086 174.700 -0.147 0.000 1.035 331 T CA 0.550 62.608 62.100 -0.070 0.000 1.142 331 T CB 0.056 68.875 68.868 -0.083 0.000 0.869 331 T HN 0.218 nan 8.240 nan 0.000 0.442 332 R N 1.365 121.776 120.500 -0.149 0.000 2.285 332 R HA 0.033 4.374 4.340 0.001 0.000 0.213 332 R C 2.084 178.352 176.300 -0.053 0.000 1.068 332 R CA 0.895 56.839 56.100 -0.260 0.000 1.004 332 R CB -0.085 30.189 30.300 -0.044 0.000 0.873 332 R HN 0.315 nan 8.270 nan 0.000 0.467 333 N N -0.002 118.702 118.700 0.006 0.000 2.333 333 N HA -0.116 4.625 4.740 0.001 0.000 0.183 333 N C 1.573 177.108 175.510 0.041 0.000 1.030 333 N CA 1.039 54.127 53.050 0.063 0.000 0.867 333 N CB 0.191 38.711 38.487 0.054 0.000 1.027 333 N HN 0.032 nan 8.380 nan 0.000 0.435 334 V N -2.012 117.901 119.914 -0.001 0.000 3.573 334 V HA 0.437 4.558 4.120 0.001 0.000 0.270 334 V C 1.501 177.579 176.094 -0.027 0.000 1.221 334 V CA 1.222 63.517 62.300 -0.007 0.000 1.163 334 V CB -0.427 31.388 31.823 -0.014 0.000 0.847 334 V HN 0.296 nan 8.190 nan 0.000 0.468 335 G N -0.382 108.376 108.800 -0.069 0.000 2.688 335 G HA2 0.108 4.069 3.960 0.001 0.000 0.214 335 G HA3 0.108 4.069 3.960 0.001 0.000 0.214 335 G C 0.956 175.856 174.900 -0.001 0.000 1.211 335 G CA 0.601 45.634 45.100 -0.111 0.000 0.853 335 G HN 0.366 nan 8.290 nan 0.000 0.591 336 F N 1.875 121.873 119.950 0.080 0.000 1.988 336 F HA 0.222 4.749 4.527 0.000 0.000 0.296 336 F C 2.233 178.069 175.800 0.060 0.000 1.178 336 F CA 0.808 58.873 58.000 0.108 0.000 1.174 336 F CB -1.258 37.812 39.000 0.117 0.000 0.963 336 F HN 0.474 nan 8.300 nan 0.000 0.489 337 G N -0.198 108.772 108.800 0.283 0.000 2.907 337 G HA2 -0.132 3.829 3.960 0.001 0.000 0.242 337 G HA3 -0.132 3.829 3.960 0.001 0.000 0.242 337 G C 0.077 175.042 174.900 0.109 0.000 1.448 337 G CA -0.069 45.118 45.100 0.145 0.000 0.911 337 G HN 0.508 nan 8.290 nan 0.000 0.553 338 E N -1.650 118.585 120.200 0.059 0.000 3.229 338 E HA -0.326 4.024 4.350 0.001 0.000 0.354 338 E C 1.428 178.039 176.600 0.018 0.000 1.487 338 E CA 2.125 58.541 56.400 0.026 0.000 1.617 338 E CB -1.366 28.344 29.700 0.016 0.000 1.768 338 E HN 1.040 nan 8.360 nan 0.000 0.497 339 E N 1.637 121.837 120.200 -0.001 0.000 2.006 339 E HA -0.079 4.271 4.350 0.001 0.000 0.192 339 E C 2.163 178.769 176.600 0.010 0.000 0.993 339 E CA 2.243 58.639 56.400 -0.007 0.000 0.808 339 E CB -0.532 29.148 29.700 -0.034 0.000 0.764 339 E HN 0.326 nan 8.360 nan 0.000 0.449 340 V N 1.599 121.511 119.914 -0.003 0.000 2.240 340 V HA -0.460 3.661 4.120 0.001 0.000 0.257 340 V C 2.541 178.597 176.094 -0.064 0.000 1.067 340 V CA 2.727 64.993 62.300 -0.056 0.000 1.067 340 V CB -0.888 30.917 31.823 -0.030 0.000 0.683 340 V HN 0.371 nan 8.190 nan 0.000 0.461 341 R N -0.473 120.031 120.500 0.007 0.000 2.261 341 R HA -0.317 4.023 4.340 0.001 0.000 0.241 341 R C 2.439 178.752 176.300 0.022 0.000 1.113 341 R CA 2.870 58.998 56.100 0.045 0.000 0.908 341 R CB -0.481 29.869 30.300 0.084 0.000 0.938 341 R HN 0.575 nan 8.270 nan 0.000 0.427 342 R N -0.280 120.238 120.500 0.031 0.000 2.189 342 R HA -0.053 4.288 4.340 0.001 0.000 0.223 342 R C 2.356 178.691 176.300 0.058 0.000 1.092 342 R CA 0.909 57.033 56.100 0.041 0.000 0.989 342 R CB -0.164 30.162 30.300 0.043 0.000 0.876 342 R HN 0.321 nan 8.270 nan 0.000 0.457 343 R N 0.745 121.272 120.500 0.046 0.000 2.055 343 R HA 0.033 4.373 4.340 0.001 0.000 0.226 343 R C 2.270 178.582 176.300 0.020 0.000 1.135 343 R CA 1.076 57.205 56.100 0.047 0.000 0.959 343 R CB -0.324 29.984 30.300 0.014 0.000 0.854 343 R HN 0.168 nan 8.270 nan 0.000 0.431 344 I N 0.858 121.407 120.570 -0.036 0.000 2.530 344 I HA -0.287 3.883 4.170 0.001 0.000 0.257 344 I C 2.196 178.326 176.117 0.022 0.000 1.179 344 I CA 0.855 62.128 61.300 -0.044 0.000 1.440 344 I CB -0.119 37.796 38.000 -0.141 0.000 1.087 344 I HN 0.195 nan 8.210 nan 0.000 0.440 345 M N 0.314 119.936 119.600 0.037 0.000 2.102 345 M HA -0.064 4.416 4.480 0.001 0.000 0.259 345 M C 2.575 178.926 176.300 0.086 0.000 1.083 345 M CA 1.687 57.024 55.300 0.060 0.000 1.141 345 M CB -1.088 31.536 32.600 0.041 0.000 1.318 345 M HN 0.258 nan 8.290 nan 0.000 0.421 346 I N -1.094 119.512 120.570 0.059 0.000 2.399 346 I HA -0.099 4.071 4.170 0.001 0.000 0.254 346 I C 2.008 178.219 176.117 0.156 0.000 1.146 346 I CA 1.947 63.286 61.300 0.065 0.000 1.412 346 I CB -1.035 36.987 38.000 0.036 0.000 1.076 346 I HN 0.211 nan 8.210 nan 0.000 0.432 347 G N 1.234 110.107 108.800 0.123 0.000 2.424 347 G HA2 -0.208 3.752 3.960 0.001 0.000 0.214 347 G HA3 -0.208 3.752 3.960 0.001 0.000 0.214 347 G C 1.649 176.642 174.900 0.154 0.000 1.202 347 G CA 1.361 46.540 45.100 0.132 0.000 0.793 347 G HN 0.515 nan 8.290 nan 0.000 0.534 348 T N -0.389 114.237 114.554 0.121 0.000 2.778 348 T HA -0.207 4.143 4.350 0.001 0.000 0.269 348 T C 2.071 176.847 174.700 0.126 0.000 1.050 348 T CA 1.320 63.481 62.100 0.101 0.000 1.137 348 T CB -0.394 68.526 68.868 0.088 0.000 0.860 348 T HN 0.181 nan 8.240 nan 0.000 0.468 349 F N 2.435 122.396 119.950 0.018 0.000 2.325 349 F HA 0.026 4.554 4.527 0.001 0.000 0.299 349 F C 2.193 178.008 175.800 0.025 0.000 1.090 349 F CA 1.022 58.998 58.000 -0.039 0.000 1.392 349 F CB -0.490 38.453 39.000 -0.094 0.000 1.053 349 F HN 0.084 nan 8.300 nan 0.000 0.521 350 T N 0.667 115.391 114.554 0.283 0.000 3.035 350 T HA -0.022 4.328 4.350 0.001 0.000 0.268 350 T C 1.636 176.518 174.700 0.303 0.000 1.109 350 T CA 1.119 63.431 62.100 0.353 0.000 1.119 350 T CB -0.147 68.960 68.868 0.398 0.000 0.900 350 T HN 0.241 nan 8.240 nan 0.000 0.503 351 L N 0.348 121.670 121.223 0.165 0.000 2.766 351 L HA 0.279 4.620 4.340 0.001 0.000 0.242 351 L C 0.906 177.802 176.870 0.044 0.000 1.136 351 L CA -0.200 54.706 54.840 0.109 0.000 0.933 351 L CB 0.285 42.334 42.059 -0.016 0.000 1.241 351 L HN 0.052 nan 8.230 nan 0.000 0.522 352 S N 0.129 115.841 115.700 0.020 0.000 2.634 352 S HA 0.253 4.723 4.470 0.001 0.000 0.254 352 S C 1.592 176.226 174.600 0.056 0.000 1.299 352 S CA 0.148 58.356 58.200 0.015 0.000 0.974 352 S CB 0.983 64.155 63.200 -0.047 0.000 1.001 352 S HN 0.287 nan 8.310 nan 0.000 0.584 353 A N 0.952 123.788 122.820 0.028 0.000 1.848 353 A HA 0.017 4.338 4.320 0.001 0.000 0.217 353 A C 1.496 179.024 177.584 -0.093 0.000 1.220 353 A CA 1.805 53.821 52.037 -0.035 0.000 0.645 353 A CB -1.290 17.685 19.000 -0.042 0.000 0.842 353 A HN 1.052 nan 8.150 nan 0.000 0.451 354 A N -2.343 120.324 122.820 -0.256 0.000 3.215 354 A HA 0.577 4.898 4.320 0.001 0.000 0.269 354 A C -0.015 176.969 177.584 -1.000 0.000 1.517 354 A CA -0.233 51.487 52.037 -0.528 0.000 1.221 354 A CB -0.542 18.125 19.000 -0.555 0.000 1.160 354 A HN 0.620 nan 8.150 nan 0.000 0.620 355 Y N -3.134 117.050 120.300 -0.192 0.000 2.730 355 Y HA 0.034 4.584 4.550 0.000 0.000 0.298 355 Y C 1.263 177.087 175.900 -0.126 0.000 0.948 355 Y CA -0.584 57.337 58.100 -0.299 0.000 1.127 355 Y CB -0.644 37.561 38.460 -0.425 0.000 1.437 355 Y HN 0.487 nan 8.280 nan 0.000 0.589 356 Y N 2.100 122.397 120.300 -0.006 0.000 2.026 356 Y HA -0.340 4.210 4.550 0.001 0.000 0.253 356 Y C 2.451 178.392 175.900 0.068 0.000 1.098 356 Y CA 2.556 60.673 58.100 0.028 0.000 1.074 356 Y CB -0.069 38.365 38.460 -0.043 0.000 0.971 356 Y HN 0.117 nan 8.280 nan 0.000 0.482 357 E N 0.424 120.559 120.200 -0.108 0.000 2.267 357 E HA -0.197 4.153 4.350 0.001 0.000 0.197 357 E C 1.842 178.374 176.600 -0.115 0.000 0.998 357 E CA 1.050 57.342 56.400 -0.180 0.000 0.830 357 E CB -0.358 29.320 29.700 -0.037 0.000 0.751 357 E HN 0.563 nan 8.360 nan 0.000 0.491 358 A N -0.104 122.655 122.820 -0.100 0.000 1.823 358 A HA -0.157 4.163 4.320 0.001 0.000 0.214 358 A C 1.961 179.544 177.584 -0.001 0.000 1.227 358 A CA 1.620 53.581 52.037 -0.127 0.000 0.616 358 A CB -1.148 17.663 19.000 -0.314 0.000 0.874 358 A HN 0.451 nan 8.150 nan 0.000 0.455 359 Y N -2.477 117.874 120.300 0.085 0.000 2.138 359 Y HA -0.070 4.481 4.550 0.000 0.000 0.286 359 Y C 2.378 178.286 175.900 0.014 0.000 1.115 359 Y CA 0.985 59.132 58.100 0.077 0.000 1.105 359 Y CB -0.485 38.071 38.460 0.160 0.000 1.004 359 Y HN 0.400 nan 8.280 nan 0.000 0.494 360 F N 1.180 121.164 119.950 0.058 0.000 1.990 360 F HA -0.286 4.241 4.527 0.001 0.000 0.294 360 F C 2.524 178.201 175.800 -0.204 0.000 1.177 360 F CA 1.664 59.614 58.000 -0.083 0.000 1.167 360 F CB -0.712 38.220 39.000 -0.112 0.000 0.971 360 F HN -0.033 nan 8.300 nan 0.000 0.483 361 N N 0.653 119.347 118.700 -0.009 0.000 2.096 361 N HA -0.281 4.459 4.740 0.001 0.000 0.195 361 N C 1.822 177.276 175.510 -0.095 0.000 1.017 361 N CA 1.814 54.807 53.050 -0.095 0.000 0.870 361 N CB -0.301 38.000 38.487 -0.310 0.000 1.024 361 N HN 0.220 nan 8.380 nan 0.000 0.434 362 K N 0.698 121.044 120.400 -0.090 0.000 2.000 362 K HA -0.106 4.215 4.320 0.001 0.000 0.218 362 K C 2.006 178.543 176.600 -0.105 0.000 1.053 362 K CA 1.821 58.065 56.287 -0.073 0.000 0.946 362 K CB -0.707 31.774 32.500 -0.031 0.000 0.723 362 K HN 0.258 nan 8.250 nan 0.000 0.446 363 A N 0.264 122.997 122.820 -0.145 0.000 1.940 363 A HA -0.213 4.107 4.320 0.001 0.000 0.219 363 A C 2.170 179.619 177.584 -0.225 0.000 1.176 363 A CA 1.883 53.803 52.037 -0.195 0.000 0.631 363 A CB -0.502 18.337 19.000 -0.269 0.000 0.814 363 A HN 0.373 nan 8.150 nan 0.000 0.446 364 M N -1.204 118.235 119.600 -0.269 0.000 2.460 364 M HA -0.111 4.369 4.480 0.001 0.000 0.263 364 M C 1.651 177.892 176.300 -0.097 0.000 1.071 364 M CA 1.335 56.520 55.300 -0.191 0.000 1.096 364 M CB -0.136 32.416 32.600 -0.080 0.000 1.408 364 M HN 0.425 nan 8.290 nan 0.000 0.463 365 K N -1.144 119.203 120.400 -0.088 0.000 2.202 365 K HA 0.043 4.364 4.320 0.001 0.000 0.201 365 K C 1.720 178.279 176.600 -0.068 0.000 1.051 365 K CA 0.472 56.721 56.287 -0.064 0.000 0.977 365 K CB 0.166 32.632 32.500 -0.056 0.000 0.792 365 K HN 0.088 nan 8.250 nan 0.000 0.469 366 V N 2.102 121.970 119.914 -0.076 0.000 2.568 366 V HA -0.222 3.899 4.120 0.001 0.000 0.253 366 V C 2.248 178.322 176.094 -0.033 0.000 1.072 366 V CA 1.585 63.852 62.300 -0.055 0.000 1.084 366 V CB -0.498 31.290 31.823 -0.059 0.000 0.676 366 V HN 0.290 nan 8.190 nan 0.000 0.469 367 R N -0.009 120.459 120.500 -0.054 0.000 2.316 367 R HA -0.054 4.287 4.340 0.001 0.000 0.202 367 R C 2.204 178.479 176.300 -0.041 0.000 1.029 367 R CA 0.892 56.964 56.100 -0.046 0.000 1.018 367 R CB -0.057 30.196 30.300 -0.079 0.000 0.888 367 R HN 0.398 nan 8.270 nan 0.000 0.471 368 R N -0.428 120.046 120.500 -0.043 0.000 2.365 368 R HA 0.080 4.420 4.340 0.001 0.000 0.223 368 R C 1.306 177.579 176.300 -0.044 0.000 0.899 368 R CA -0.172 55.906 56.100 -0.037 0.000 1.059 368 R CB 0.355 30.636 30.300 -0.033 0.000 1.086 368 R HN -0.047 nan 8.270 nan 0.000 0.522 369 K N 1.119 121.486 120.400 -0.054 0.000 1.975 369 K HA -0.016 4.304 4.320 0.001 0.000 0.210 369 K C 1.962 178.547 176.600 -0.026 0.000 1.041 369 K CA 1.300 57.540 56.287 -0.079 0.000 0.942 369 K CB -0.391 32.040 32.500 -0.116 0.000 0.729 369 K HN 0.137 nan 8.250 nan 0.000 0.439 370 I N 0.800 121.382 120.570 0.021 0.000 2.194 370 I HA -0.303 3.868 4.170 0.001 0.000 0.246 370 I C 2.615 178.739 176.117 0.011 0.000 1.093 370 I CA 1.105 62.432 61.300 0.046 0.000 1.355 370 I CB -0.503 37.537 38.000 0.066 0.000 1.046 370 I HN 0.126 nan 8.210 nan 0.000 0.413 371 S N 0.803 116.497 115.700 -0.010 0.000 2.353 371 S HA -0.224 4.246 4.470 0.001 0.000 0.222 371 S C 1.685 176.269 174.600 -0.028 0.000 1.035 371 S CA 2.070 60.253 58.200 -0.028 0.000 1.025 371 S CB -0.284 62.895 63.200 -0.035 0.000 0.902 371 S HN 0.415 nan 8.310 nan 0.000 0.440 372 D N 0.842 121.227 120.400 -0.024 0.000 2.117 372 D HA -0.055 4.585 4.640 0.001 0.000 0.197 372 D C 2.091 178.383 176.300 -0.015 0.000 0.987 372 D CA 1.078 55.065 54.000 -0.023 0.000 0.829 372 D CB -0.392 40.391 40.800 -0.027 0.000 0.961 372 D HN 0.605 nan 8.370 nan 0.000 0.460 373 E N 0.473 120.671 120.200 -0.003 0.000 2.006 373 E HA -0.068 4.282 4.350 0.001 0.000 0.192 373 E C 2.418 179.026 176.600 0.014 0.000 0.993 373 E CA 0.310 56.720 56.400 0.016 0.000 0.808 373 E CB -0.213 29.517 29.700 0.049 0.000 0.764 373 E HN 0.176 nan 8.360 nan 0.000 0.449 374 L N 1.191 122.422 121.223 0.014 0.000 2.089 374 L HA -0.294 4.047 4.340 0.001 0.000 0.213 374 L C 2.111 178.975 176.870 -0.008 0.000 1.079 374 L CA 1.292 56.136 54.840 0.008 0.000 0.758 374 L CB -0.550 41.507 42.059 -0.004 0.000 0.891 374 L HN 0.219 nan 8.230 nan 0.000 0.433 375 N N -0.178 118.508 118.700 -0.023 0.000 2.047 375 N HA -0.185 4.555 4.740 0.001 0.000 0.193 375 N C 1.607 177.099 175.510 -0.030 0.000 1.055 375 N CA 1.283 54.309 53.050 -0.040 0.000 0.847 375 N CB -0.009 38.449 38.487 -0.048 0.000 1.038 375 N HN 0.259 nan 8.380 nan 0.000 0.427 376 E N 0.051 120.235 120.200 -0.027 0.000 2.401 376 E HA -0.099 4.251 4.350 0.001 0.000 0.199 376 E C 1.618 178.188 176.600 -0.051 0.000 1.023 376 E CA 0.183 56.562 56.400 -0.036 0.000 0.859 376 E CB 0.150 29.830 29.700 -0.034 0.000 0.780 376 E HN 0.168 nan 8.360 nan 0.000 0.523 377 V N 1.071 120.969 119.914 -0.026 0.000 2.490 377 V HA -0.194 3.926 4.120 0.001 0.000 0.250 377 V C 1.559 177.674 176.094 0.035 0.000 1.061 377 V CA 1.049 63.346 62.300 -0.005 0.000 1.064 377 V CB -0.136 31.727 31.823 0.067 0.000 0.670 377 V HN 0.358 nan 8.190 nan 0.000 0.461 378 L N -0.194 121.041 121.223 0.021 0.000 2.682 378 L HA 0.196 4.536 4.340 0.001 0.000 0.240 378 L C 1.343 178.210 176.870 -0.005 0.000 1.178 378 L CA 1.106 55.961 54.840 0.025 0.000 0.970 378 L CB -0.606 41.446 42.059 -0.013 0.000 1.179 378 L HN 0.346 nan 8.230 nan 0.000 0.435 379 S N -1.315 114.358 115.700 -0.045 0.000 3.021 379 S HA 0.147 4.618 4.470 0.001 0.000 0.252 379 S C 1.108 175.641 174.600 -0.113 0.000 0.996 379 S CA -0.210 57.956 58.200 -0.057 0.000 1.084 379 S CB 0.390 63.565 63.200 -0.042 0.000 1.021 379 S HN 0.349 nan 8.310 nan 0.000 0.566 380 Q N 0.221 119.889 119.800 -0.220 0.000 2.534 380 Q HA 0.268 4.608 4.340 0.001 0.000 0.252 380 Q C -0.580 175.299 176.000 -0.203 0.000 0.850 380 Q CA 0.789 56.411 55.803 -0.302 0.000 0.974 380 Q CB 0.686 29.094 28.738 -0.549 0.000 1.205 380 Q HN 0.653 nan 8.270 nan 0.000 0.593 381 Y N -1.342 118.952 120.300 -0.009 0.000 2.805 381 Y HA 0.565 5.115 4.550 0.000 0.000 0.323 381 Y C 0.177 176.035 175.900 -0.070 0.000 1.279 381 Y CA -1.882 56.209 58.100 -0.015 0.000 1.103 381 Y CB -0.366 38.105 38.460 0.019 0.000 1.324 381 Y HN -0.256 nan 8.280 nan 0.000 0.498 382 D N 0.626 121.102 120.400 0.127 0.000 2.182 382 D HA 0.355 4.995 4.640 0.001 0.000 0.284 382 D C 0.125 176.246 176.300 -0.298 0.000 1.152 382 D CA 0.253 54.183 54.000 -0.117 0.000 1.032 382 D CB -0.272 40.398 40.800 -0.216 0.000 1.140 382 D HN 0.823 nan 8.370 nan 0.000 0.505 383 A N -0.056 122.424 122.820 -0.566 0.000 2.609 383 A HA 0.096 4.416 4.320 0.001 0.000 0.232 383 A C 0.736 178.039 177.584 -0.468 0.000 1.041 383 A CA 0.396 52.119 52.037 -0.524 0.000 0.753 383 A CB -0.497 18.149 19.000 -0.590 0.000 0.966 383 A HN 0.353 nan 8.150 nan 0.000 0.510 384 I N 0.435 120.872 120.570 -0.222 0.000 3.562 384 I HA 0.654 4.824 4.170 0.001 0.000 0.285 384 I C -0.029 176.036 176.117 -0.088 0.000 1.211 384 I CA -0.616 60.609 61.300 -0.126 0.000 0.887 384 I CB 0.610 38.578 38.000 -0.053 0.000 1.581 384 I HN 0.790 nan 8.210 nan 0.000 0.735 385 L N -1.294 119.908 121.223 -0.034 0.000 3.075 385 L HA 0.763 5.103 4.340 0.001 0.000 0.274 385 L C -0.742 176.108 176.870 -0.033 0.000 1.006 385 L CA -0.360 54.475 54.840 -0.008 0.000 0.972 385 L CB 1.495 43.589 42.059 0.058 0.000 1.515 385 L HN 0.652 nan 8.230 nan 0.000 0.402 386 T N -0.847 113.682 114.554 -0.043 0.000 2.843 386 T HA 0.565 4.916 4.350 0.001 0.000 0.337 386 T C -3.158 171.420 174.700 -0.203 0.000 1.754 386 T CA -0.611 61.331 62.100 -0.263 0.000 1.052 386 T CB 1.890 70.463 68.868 -0.492 0.000 1.588 386 T HN 0.702 nan 8.240 nan 0.000 0.493 387 P HA 0.219 nan 4.420 nan 0.000 0.267 387 P C 0.793 178.083 177.300 -0.017 0.000 1.209 387 P CA 0.165 63.163 63.100 -0.170 0.000 0.763 387 P CB 0.381 31.915 31.700 -0.276 0.000 0.816 388 T N 0.864 115.470 114.554 0.088 0.000 2.635 388 T HA -0.087 4.263 4.350 0.001 0.000 0.267 388 T C 0.823 175.663 174.700 0.234 0.000 1.040 388 T CA 1.525 63.708 62.100 0.138 0.000 1.156 388 T CB -0.195 68.724 68.868 0.085 0.000 0.863 388 T HN 0.409 nan 8.240 nan 0.000 0.430 389 S N 1.497 117.313 115.700 0.194 0.000 2.616 389 S HA 0.356 4.826 4.470 0.001 0.000 0.277 389 S C -1.869 172.880 174.600 0.248 0.000 1.234 389 S CA -1.205 57.092 58.200 0.161 0.000 1.028 389 S CB 1.603 64.855 63.200 0.086 0.000 0.988 389 S HN 0.262 nan 8.310 nan 0.000 0.522 390 P HA 0.274 nan 4.420 nan 0.000 0.282 390 P C -0.473 176.819 177.300 -0.014 0.000 1.373 390 P CA 0.145 63.248 63.100 0.006 0.000 1.001 390 P CB 0.360 31.844 31.700 -0.360 0.000 1.489 391 V N -1.887 118.032 119.914 0.009 0.000 3.048 391 V HA 0.351 4.471 4.120 0.001 0.000 0.303 391 V C 1.109 177.211 176.094 0.015 0.000 1.214 391 V CA -0.216 62.089 62.300 0.008 0.000 0.984 391 V CB 1.388 33.216 31.823 0.008 0.000 1.054 391 V HN -0.120 nan 8.190 nan 0.000 0.430 392 T N 3.506 118.060 114.554 -0.000 0.000 2.399 392 T HA 0.010 4.361 4.350 0.001 0.000 0.242 392 T C 0.843 175.523 174.700 -0.033 0.000 1.348 392 T CA 2.276 64.359 62.100 -0.028 0.000 1.200 392 T CB -0.365 68.476 68.868 -0.044 0.000 0.862 392 T HN 2.285 nan 8.240 nan 0.000 0.404 393 A N 0.754 123.553 122.820 -0.034 0.000 1.794 393 A HA 0.457 4.777 4.320 0.001 0.000 0.248 393 A C -0.057 177.437 177.584 -0.149 0.000 1.467 393 A CA -1.044 50.932 52.037 -0.101 0.000 1.390 393 A CB -1.038 17.901 19.000 -0.101 0.000 1.000 393 A HN 0.509 nan 8.150 nan 0.000 0.703 394 F N 0.787 120.714 119.950 -0.039 0.000 2.684 394 F HA 0.368 4.895 4.527 0.000 0.000 0.334 394 F C 0.570 176.360 175.800 -0.016 0.000 1.170 394 F CA 0.300 58.273 58.000 -0.045 0.000 1.376 394 F CB 0.318 39.269 39.000 -0.082 0.000 1.056 394 F HN 0.457 nan 8.300 nan 0.000 0.632 395 K N 2.301 122.861 120.400 0.267 0.000 2.107 395 K HA 0.209 4.529 4.320 0.001 0.000 0.251 395 K C 1.227 177.963 176.600 0.228 0.000 1.012 395 K CA -0.846 55.532 56.287 0.152 0.000 0.920 395 K CB 0.890 33.451 32.500 0.102 0.000 1.033 395 K HN 0.560 nan 8.250 nan 0.000 0.478 396 I N 1.363 122.012 120.570 0.132 0.000 2.229 396 I HA -0.193 3.977 4.170 0.001 0.000 0.250 396 I C 1.213 177.444 176.117 0.190 0.000 1.096 396 I CA 1.498 62.884 61.300 0.142 0.000 1.358 396 I CB -1.143 36.914 38.000 0.095 0.000 1.047 396 I HN 0.771 nan 8.210 nan 0.000 0.422 397 G N 0.017 108.912 108.800 0.157 0.000 2.412 397 G HA2 0.397 4.358 3.960 0.001 0.000 0.318 397 G HA3 0.397 4.358 3.960 0.001 0.000 0.318 397 G C -0.872 174.095 174.900 0.111 0.000 1.146 397 G CA -0.042 45.133 45.100 0.124 0.000 0.882 397 G HN 0.157 nan 8.290 nan 0.000 0.501 398 E N 0.711 120.946 120.200 0.058 0.000 2.308 398 E HA 0.336 4.686 4.350 0.001 0.000 0.275 398 E C 0.052 176.620 176.600 -0.052 0.000 0.890 398 E CA -0.826 55.540 56.400 -0.057 0.000 0.754 398 E CB 1.270 30.908 29.700 -0.103 0.000 1.207 398 E HN 0.413 nan 8.360 nan 0.000 0.426 399 I N 4.702 125.203 120.570 -0.115 0.000 3.136 399 I HA -0.146 4.024 4.170 0.001 0.000 0.298 399 I C 0.793 176.885 176.117 -0.041 0.000 1.232 399 I CA 0.709 61.956 61.300 -0.087 0.000 1.379 399 I CB -0.263 37.659 38.000 -0.130 0.000 1.411 399 I HN 0.435 nan 8.210 nan 0.000 0.532 400 K N 5.341 125.729 120.400 -0.019 0.000 1.985 400 K HA 0.079 4.399 4.320 0.001 0.000 0.234 400 K C -0.621 175.959 176.600 -0.034 0.000 1.140 400 K CA -0.026 56.255 56.287 -0.009 0.000 1.141 400 K CB 0.045 32.536 32.500 -0.016 0.000 1.165 400 K HN 0.504 nan 8.250 nan 0.000 0.301 401 D N 3.496 123.884 120.400 -0.021 0.000 2.354 401 D HA 0.206 4.846 4.640 0.001 0.000 0.230 401 D C -2.267 173.980 176.300 -0.088 0.000 1.361 401 D CA -2.018 51.937 54.000 -0.075 0.000 0.992 401 D CB 1.959 42.706 40.800 -0.089 0.000 1.409 401 D HN 0.121 nan 8.370 nan 0.000 0.573 402 P HA -0.138 nan 4.420 nan 0.000 0.214 402 P C 1.727 178.636 177.300 -0.651 0.000 1.163 402 P CA 0.715 63.488 63.100 -0.545 0.000 0.889 402 P CB 0.264 31.537 31.700 -0.713 0.000 0.790 403 L N -0.996 119.929 121.223 -0.497 0.000 2.085 403 L HA -0.289 4.052 4.340 0.001 0.000 0.218 403 L C 2.318 179.067 176.870 -0.202 0.000 1.080 403 L CA 2.359 57.005 54.840 -0.322 0.000 0.776 403 L CB -2.326 39.621 42.059 -0.185 0.000 0.891 403 L HN 0.053 nan 8.230 nan 0.000 0.437 404 T N -1.698 112.755 114.554 -0.167 0.000 2.555 404 T HA -0.268 4.082 4.350 0.001 0.000 0.264 404 T C 1.734 176.341 174.700 -0.156 0.000 1.083 404 T CA 2.074 64.062 62.100 -0.187 0.000 1.179 404 T CB -0.626 68.073 68.868 -0.280 0.000 0.863 404 T HN 0.213 nan 8.240 nan 0.000 0.412 405 Y N 0.366 120.565 120.300 -0.168 0.000 2.114 405 Y HA -0.182 4.368 4.550 0.001 0.000 0.282 405 Y C 2.422 178.382 175.900 0.099 0.000 1.165 405 Y CA 1.130 59.216 58.100 -0.023 0.000 1.148 405 Y CB -0.968 37.525 38.460 0.055 0.000 0.972 405 Y HN 0.268 nan 8.280 nan 0.000 0.504 406 Y N -0.742 119.543 120.300 -0.025 0.000 2.651 406 Y HA -0.132 4.418 4.550 0.001 0.000 0.293 406 Y C 1.913 177.655 175.900 -0.262 0.000 1.151 406 Y CA 0.486 58.387 58.100 -0.331 0.000 1.362 406 Y CB -0.868 37.149 38.460 -0.737 0.000 0.973 406 Y HN 0.253 nan 8.280 nan 0.000 0.561 407 L N -2.041 119.167 121.223 -0.025 0.000 2.609 407 L HA 0.096 4.436 4.340 0.001 0.000 0.230 407 L C 1.855 178.622 176.870 -0.171 0.000 1.064 407 L CA 0.029 54.803 54.840 -0.111 0.000 0.873 407 L CB -0.094 41.878 42.059 -0.145 0.000 1.139 407 L HN -0.019 nan 8.230 nan 0.000 0.490 408 M N 0.274 119.795 119.600 -0.131 0.000 2.838 408 M HA -0.150 4.330 4.480 0.001 0.000 0.228 408 M C 0.384 176.593 176.300 -0.153 0.000 1.023 408 M CA 0.912 56.115 55.300 -0.162 0.000 1.072 408 M CB -0.268 32.266 32.600 -0.109 0.000 1.566 408 M HN 0.238 nan 8.290 nan 0.000 0.556 409 D N -0.466 119.830 120.400 -0.174 0.000 3.013 409 D HA 0.157 4.797 4.640 0.001 0.000 0.256 409 D C 1.553 177.672 176.300 -0.302 0.000 1.573 409 D CA 0.673 54.569 54.000 -0.173 0.000 1.197 409 D CB -0.132 40.602 40.800 -0.109 0.000 1.041 409 D HN 0.312 nan 8.370 nan 0.000 0.304 410 I N 0.936 121.364 120.570 -0.236 0.000 4.571 410 I HA -0.478 3.692 4.170 0.001 0.000 0.065 410 I C 2.147 178.251 176.117 -0.022 0.000 0.619 410 I CA 1.851 63.044 61.300 -0.180 0.000 0.786 410 I CB -1.347 36.482 38.000 -0.286 0.000 0.719 410 I HN 0.063 nan 8.210 nan 0.000 0.171 411 F N 1.035 120.933 119.950 -0.086 0.000 2.346 411 F HA -0.237 4.291 4.527 0.000 0.000 0.301 411 F C 2.606 178.364 175.800 -0.071 0.000 1.070 411 F CA 1.329 59.281 58.000 -0.080 0.000 1.407 411 F CB -0.622 38.326 39.000 -0.086 0.000 1.072 411 F HN 0.527 nan 8.300 nan 0.000 0.543 412 T N -2.983 111.611 114.554 0.065 0.000 3.056 412 T HA 0.051 4.401 4.350 0.001 0.000 0.241 412 T C 1.815 176.476 174.700 -0.065 0.000 1.006 412 T CA 0.005 62.104 62.100 -0.002 0.000 1.115 412 T CB -0.408 68.444 68.868 -0.027 0.000 0.939 412 T HN -0.052 nan 8.240 nan 0.000 0.462 413 I N 3.520 124.011 120.570 -0.132 0.000 2.087 413 I HA -0.097 4.074 4.170 0.001 0.000 0.240 413 I C -0.269 175.795 176.117 -0.089 0.000 1.054 413 I CA 1.434 62.603 61.300 -0.219 0.000 1.311 413 I CB -2.083 35.767 38.000 -0.250 0.000 1.024 413 I HN 0.289 nan 8.210 nan 0.000 0.402 414 P HA -0.062 nan 4.420 nan 0.000 0.223 414 P C 1.474 178.764 177.300 -0.016 0.000 1.151 414 P CA 1.631 64.728 63.100 -0.004 0.000 0.787 414 P CB -0.024 31.684 31.700 0.013 0.000 0.788 415 A N 0.660 123.465 122.820 -0.025 0.000 1.933 415 A HA -0.227 4.093 4.320 0.001 0.000 0.218 415 A C 2.132 179.701 177.584 -0.025 0.000 1.175 415 A CA 2.035 54.051 52.037 -0.034 0.000 0.628 415 A CB -1.766 17.210 19.000 -0.040 0.000 0.814 415 A HN 0.207 nan 8.150 nan 0.000 0.444 416 N N 0.076 118.769 118.700 -0.012 0.000 2.142 416 N HA -0.028 4.713 4.740 0.001 0.000 0.186 416 N C 0.924 176.429 175.510 -0.008 0.000 1.023 416 N CA 1.102 54.160 53.050 0.014 0.000 0.852 416 N CB -0.329 38.191 38.487 0.055 0.000 0.998 416 N HN 0.451 nan 8.380 nan 0.000 0.424 417 L N -0.206 121.014 121.223 -0.005 0.000 2.798 417 L HA 0.178 4.519 4.340 0.001 0.000 0.254 417 L C 0.713 177.552 176.870 -0.052 0.000 1.176 417 L CA 0.045 54.870 54.840 -0.026 0.000 0.991 417 L CB -0.480 41.579 42.059 0.001 0.000 1.225 417 L HN 0.203 nan 8.230 nan 0.000 0.420 418 A N -1.567 121.215 122.820 -0.062 0.000 2.577 418 A HA 0.454 4.775 4.320 0.001 0.000 0.195 418 A C 1.308 178.831 177.584 -0.103 0.000 1.407 418 A CA 0.426 52.404 52.037 -0.098 0.000 1.056 418 A CB -0.025 18.899 19.000 -0.128 0.000 1.165 418 A HN 0.449 nan 8.150 nan 0.000 0.472 419 G N 0.469 109.273 108.800 0.006 0.000 2.708 419 G HA2 -0.268 3.692 3.960 0.001 0.000 0.229 419 G HA3 -0.268 3.692 3.960 0.001 0.000 0.229 419 G C 0.495 175.415 174.900 0.034 0.000 1.236 419 G CA 0.056 45.243 45.100 0.145 0.000 0.749 419 G HN 1.351 nan 8.290 nan 0.000 0.515 420 L N 2.475 123.639 121.223 -0.097 0.000 4.641 420 L HA -0.110 4.231 4.340 0.001 0.000 0.577 420 L C -1.193 175.646 176.870 -0.051 0.000 0.940 420 L CA 0.370 55.152 54.840 -0.096 0.000 0.481 420 L CB -0.699 41.306 42.059 -0.090 0.000 0.426 420 L HN 0.361 nan 8.230 nan 0.000 1.153 421 P HA 0.268 nan 4.420 nan 0.000 0.269 421 P C -0.636 176.610 177.300 -0.091 0.000 1.217 421 P CA -0.150 62.923 63.100 -0.045 0.000 0.783 421 P CB 1.094 32.882 31.700 0.146 0.000 0.898 422 A N 2.262 124.968 122.820 -0.191 0.000 2.528 422 A HA 0.477 4.798 4.320 0.001 0.000 0.306 422 A C -0.567 176.972 177.584 -0.073 0.000 1.042 422 A CA -0.590 51.385 52.037 -0.103 0.000 0.950 422 A CB 0.101 19.047 19.000 -0.090 0.000 1.374 422 A HN 0.337 nan 8.150 nan 0.000 0.387 423 I N 0.888 121.478 120.570 0.033 0.000 2.664 423 I HA 0.636 4.806 4.170 0.001 0.000 0.308 423 I C 0.751 176.888 176.117 0.034 0.000 0.984 423 I CA -0.712 60.639 61.300 0.085 0.000 1.213 423 I CB 2.028 40.031 38.000 0.004 0.000 1.379 423 I HN 0.553 nan 8.210 nan 0.000 0.501 424 S N 3.592 119.322 115.700 0.050 0.000 2.718 424 S HA 0.422 4.892 4.470 0.001 0.000 0.294 424 S C -1.056 173.566 174.600 0.038 0.000 1.157 424 S CA -0.482 57.741 58.200 0.039 0.000 1.121 424 S CB 0.917 64.141 63.200 0.040 0.000 1.015 424 S HN 0.391 nan 8.310 nan 0.000 0.479 425 V N 7.531 127.463 119.914 0.029 0.000 2.483 425 V HA 0.710 4.830 4.120 0.001 0.000 0.295 425 V C -2.261 173.845 176.094 0.021 0.000 1.035 425 V CA -2.218 60.099 62.300 0.028 0.000 0.896 425 V CB 1.977 33.819 31.823 0.032 0.000 0.986 425 V HN 0.725 nan 8.190 nan 0.000 0.447 426 P HA 0.232 nan 4.420 nan 0.000 0.274 426 P C -0.732 176.606 177.300 0.063 0.000 1.231 426 P CA 0.111 63.102 63.100 -0.180 0.000 0.790 426 P CB 0.647 31.958 31.700 -0.648 0.000 0.951 427 F N 0.052 119.922 119.950 -0.134 0.000 2.541 427 F HA 0.358 4.885 4.527 0.001 0.000 0.325 427 F C -0.367 175.433 175.800 -0.000 0.000 1.230 427 F CA -0.078 57.951 58.000 0.048 0.000 0.929 427 F CB -0.059 38.973 39.000 0.053 0.000 1.545 427 F HN 0.513 nan 8.300 nan 0.000 0.482 428 G N 0.140 108.846 108.800 -0.157 0.000 2.753 428 G HA2 0.464 4.424 3.960 0.001 0.000 0.303 428 G HA3 0.464 4.424 3.960 0.001 0.000 0.303 428 G C -0.958 173.906 174.900 -0.059 0.000 1.242 428 G CA -0.029 44.913 45.100 -0.264 0.000 0.810 428 G HN 0.347 nan 8.290 nan 0.000 0.515 429 F N -0.126 119.662 119.950 -0.269 0.000 3.531 429 F HA 0.158 4.685 4.527 0.000 0.000 0.352 429 F C 0.468 176.135 175.800 -0.221 0.000 1.126 429 F CA -0.185 57.666 58.000 -0.249 0.000 0.648 429 F CB -0.616 38.194 39.000 -0.316 0.000 1.997 429 F HN 0.384 nan 8.300 nan 0.000 0.421 430 S N 1.845 117.460 115.700 -0.141 0.000 2.552 430 S HA 0.202 4.673 4.470 0.001 0.000 0.289 430 S C 0.740 175.226 174.600 -0.189 0.000 1.304 430 S CA 0.872 58.993 58.200 -0.132 0.000 1.063 430 S CB 0.262 63.425 63.200 -0.062 0.000 0.848 430 S HN 0.464 nan 8.310 nan 0.000 0.499 431 N N 1.698 120.301 118.700 -0.162 0.000 2.713 431 N HA -0.234 4.507 4.740 0.001 0.000 0.251 431 N C -0.340 175.007 175.510 -0.271 0.000 1.117 431 N CA 0.914 53.865 53.050 -0.166 0.000 0.770 431 N CB -1.570 36.849 38.487 -0.113 0.000 1.137 431 N HN 0.752 nan 8.380 nan 0.000 0.566 432 N N -1.484 116.947 118.700 -0.448 0.000 2.780 432 N HA -0.190 4.550 4.740 0.001 0.000 0.248 432 N C -1.291 173.799 175.510 -0.700 0.000 1.102 432 N CA 1.190 53.780 53.050 -0.766 0.000 0.697 432 N CB -1.062 37.075 38.487 -0.583 0.000 1.028 432 N HN 0.493 nan 8.380 nan 0.000 0.554 433 L N 0.008 120.906 121.223 -0.543 0.000 2.563 433 L HA 0.298 4.638 4.340 0.001 0.000 0.259 433 L C -2.409 174.293 176.870 -0.280 0.000 1.034 433 L CA -1.263 53.322 54.840 -0.425 0.000 0.899 433 L CB 2.079 43.994 42.059 -0.241 0.000 1.159 433 L HN -0.291 nan 8.230 nan 0.000 0.456 434 P HA -0.034 nan 4.420 nan 0.000 0.245 434 P C -0.219 177.055 177.300 -0.045 0.000 1.347 434 P CA 0.395 63.470 63.100 -0.042 0.000 1.314 434 P CB -0.019 31.799 31.700 0.195 0.000 1.679 435 V N 2.994 122.878 119.914 -0.050 0.000 2.465 435 V HA 0.537 4.658 4.120 0.001 0.000 0.279 435 V C 1.145 177.238 176.094 -0.002 0.000 1.045 435 V CA 0.128 62.419 62.300 -0.015 0.000 0.938 435 V CB 1.423 33.253 31.823 0.012 0.000 0.986 435 V HN 0.501 nan 8.190 nan 0.000 0.467 436 G N 3.385 112.192 108.800 0.012 0.000 2.828 436 G HA2 0.730 4.690 3.960 0.001 0.000 0.244 436 G HA3 0.730 4.690 3.960 0.001 0.000 0.244 436 G C -0.442 174.530 174.900 0.121 0.000 1.365 436 G CA -0.192 44.947 45.100 0.066 0.000 1.041 436 G HN 0.881 nan 8.290 nan 0.000 0.560 437 V N -2.744 117.243 119.914 0.122 0.000 3.103 437 V HA 0.762 4.882 4.120 0.001 0.000 0.318 437 V C -0.419 175.708 176.094 0.055 0.000 1.114 437 V CA -0.963 61.405 62.300 0.113 0.000 1.020 437 V CB 1.456 33.348 31.823 0.115 0.000 1.085 437 V HN 0.833 nan 8.190 nan 0.000 0.446 438 Q N 0.487 120.311 119.800 0.041 0.000 2.387 438 Q HA 0.758 5.098 4.340 0.001 0.000 0.273 438 Q C -1.466 174.533 176.000 -0.001 0.000 1.089 438 Q CA -0.827 54.985 55.803 0.014 0.000 0.824 438 Q CB 2.448 31.193 28.738 0.012 0.000 1.367 438 Q HN 1.116 nan 8.270 nan 0.000 0.443 439 V N 1.516 121.420 119.914 -0.017 0.000 2.454 439 V HA 0.365 4.485 4.120 0.001 0.000 0.267 439 V C 0.046 176.106 176.094 -0.057 0.000 0.993 439 V CA -1.022 61.258 62.300 -0.033 0.000 0.836 439 V CB 0.237 32.041 31.823 -0.032 0.000 1.055 439 V HN 0.667 nan 8.190 nan 0.000 0.452 440 I N 3.098 123.633 120.570 -0.059 0.000 3.141 440 I HA 0.398 4.569 4.170 0.001 0.000 0.295 440 I C 1.192 177.260 176.117 -0.081 0.000 1.252 440 I CA 1.338 62.600 61.300 -0.063 0.000 1.406 440 I CB 0.425 38.391 38.000 -0.056 0.000 1.333 440 I HN 0.800 nan 8.210 nan 0.000 0.594 441 G N 3.923 112.684 108.800 -0.065 0.000 2.730 441 G HA2 0.496 4.456 3.960 0.001 0.000 0.289 441 G HA3 0.496 4.456 3.960 0.001 0.000 0.289 441 G C -0.609 174.255 174.900 -0.060 0.000 1.341 441 G CA -0.887 44.177 45.100 -0.059 0.000 0.932 441 G HN 0.574 nan 8.290 nan 0.000 0.481 442 R N 0.139 120.610 120.500 -0.049 0.000 2.590 442 R HA 0.170 4.510 4.340 0.001 0.000 0.274 442 R C 0.586 176.827 176.300 -0.099 0.000 1.061 442 R CA -0.455 55.610 56.100 -0.058 0.000 1.081 442 R CB 0.413 30.697 30.300 -0.027 0.000 0.984 442 R HN 0.531 nan 8.270 nan 0.000 0.448 443 R N 3.628 124.009 120.500 -0.199 0.000 2.494 443 R HA -0.165 4.175 4.340 0.001 0.000 0.291 443 R C -0.306 175.800 176.300 -0.323 0.000 0.953 443 R CA 0.581 56.392 56.100 -0.482 0.000 1.098 443 R CB -0.029 29.890 30.300 -0.636 0.000 0.911 443 R HN 0.661 nan 8.270 nan 0.000 0.407 444 F N 0.186 120.176 119.950 0.067 0.000 3.084 444 F HA -0.287 4.240 4.527 0.001 0.000 0.286 444 F C 0.134 175.970 175.800 0.060 0.000 0.855 444 F CA 0.855 58.899 58.000 0.073 0.000 1.091 444 F CB -2.128 36.910 39.000 0.063 0.000 1.177 444 F HN 0.562 nan 8.300 nan 0.000 0.542 445 A N -0.474 122.440 122.820 0.157 0.000 2.664 445 A HA 0.635 4.956 4.320 0.001 0.000 0.338 445 A C 0.622 178.278 177.584 0.120 0.000 1.280 445 A CA -0.444 51.658 52.037 0.109 0.000 0.809 445 A CB 0.299 19.333 19.000 0.057 0.000 1.114 445 A HN 0.107 nan 8.150 nan 0.000 0.479 446 D N 2.071 122.568 120.400 0.162 0.000 2.178 446 D HA 0.084 4.724 4.640 0.001 0.000 0.217 446 D C 2.330 178.779 176.300 0.247 0.000 0.992 446 D CA 1.921 56.087 54.000 0.276 0.000 0.895 446 D CB -0.292 40.762 40.800 0.424 0.000 1.031 446 D HN 0.531 nan 8.370 nan 0.000 0.453 447 G N 1.019 109.920 108.800 0.169 0.000 2.728 447 G HA2 -0.446 3.515 3.960 0.001 0.000 0.224 447 G HA3 -0.446 3.515 3.960 0.001 0.000 0.224 447 G C 1.467 176.471 174.900 0.173 0.000 1.123 447 G CA 1.772 46.977 45.100 0.174 0.000 0.755 447 G HN 0.297 nan 8.290 nan 0.000 0.622 448 K N -0.022 120.436 120.400 0.097 0.000 2.103 448 K HA -0.056 4.265 4.320 0.001 0.000 0.207 448 K C 2.407 179.027 176.600 0.033 0.000 1.048 448 K CA 1.500 57.819 56.287 0.054 0.000 0.930 448 K CB -0.158 32.351 32.500 0.015 0.000 0.716 448 K HN 0.282 nan 8.250 nan 0.000 0.444 449 V N 0.450 120.370 119.914 0.010 0.000 3.041 449 V HA -0.089 4.032 4.120 0.001 0.000 0.260 449 V C 1.259 177.248 176.094 -0.176 0.000 1.105 449 V CA 0.983 63.228 62.300 -0.091 0.000 1.125 449 V CB -0.519 31.236 31.823 -0.113 0.000 0.730 449 V HN 0.183 nan 8.190 nan 0.000 0.479 450 F N 0.057 120.014 119.950 0.010 0.000 2.731 450 F HA 0.273 4.801 4.527 0.001 0.000 0.304 450 F C 2.039 177.840 175.800 0.002 0.000 1.133 450 F CA 0.322 58.306 58.000 -0.027 0.000 1.380 450 F CB -0.244 38.727 39.000 -0.048 0.000 1.079 450 F HN -0.025 nan 8.300 nan 0.000 0.550 451 R N -0.135 120.448 120.500 0.138 0.000 2.119 451 R HA 0.191 4.531 4.340 0.001 0.000 0.202 451 R C 2.070 178.417 176.300 0.077 0.000 1.114 451 R CA 0.481 56.642 56.100 0.102 0.000 1.089 451 R CB -0.086 30.265 30.300 0.085 0.000 1.000 451 R HN 0.190 nan 8.270 nan 0.000 0.487 452 I N 1.616 122.226 120.570 0.066 0.000 2.530 452 I HA -0.226 3.945 4.170 0.001 0.000 0.257 452 I C 2.281 178.419 176.117 0.034 0.000 1.179 452 I CA 1.088 62.433 61.300 0.075 0.000 1.440 452 I CB -0.277 37.779 38.000 0.093 0.000 1.087 452 I HN 0.286 nan 8.210 nan 0.000 0.440 453 A N 1.382 124.215 122.820 0.021 0.000 1.823 453 A HA -0.212 4.109 4.320 0.001 0.000 0.214 453 A C 2.365 179.974 177.584 0.042 0.000 1.225 453 A CA 1.687 53.734 52.037 0.017 0.000 0.604 453 A CB -0.726 18.282 19.000 0.015 0.000 0.878 453 A HN 0.314 nan 8.150 nan 0.000 0.450 454 R N 0.128 120.673 120.500 0.075 0.000 2.154 454 R HA -0.175 4.165 4.340 0.001 0.000 0.248 454 R C 2.000 178.329 176.300 0.048 0.000 1.155 454 R CA 2.034 58.177 56.100 0.071 0.000 0.979 454 R CB -0.783 29.564 30.300 0.079 0.000 0.869 454 R HN 0.471 nan 8.270 nan 0.000 0.452 455 A N 1.028 123.870 122.820 0.036 0.000 1.859 455 A HA -0.254 4.067 4.320 0.001 0.000 0.218 455 A C 2.211 179.790 177.584 -0.008 0.000 1.242 455 A CA 2.165 54.210 52.037 0.013 0.000 0.661 455 A CB -0.989 18.016 19.000 0.008 0.000 0.842 455 A HN 0.407 nan 8.150 nan 0.000 0.455 456 I N -0.997 119.547 120.570 -0.044 0.000 2.068 456 I HA -0.332 3.839 4.170 0.001 0.000 0.238 456 I C 2.567 178.694 176.117 0.016 0.000 1.046 456 I CA 2.176 63.419 61.300 -0.095 0.000 1.306 456 I CB -0.695 37.191 38.000 -0.191 0.000 1.023 456 I HN 0.539 nan 8.210 nan 0.000 0.399 457 E N 1.326 121.558 120.200 0.053 0.000 2.253 457 E HA -0.285 4.065 4.350 0.001 0.000 0.202 457 E C 1.884 178.562 176.600 0.130 0.000 1.014 457 E CA 2.250 58.720 56.400 0.116 0.000 0.823 457 E CB -0.029 29.734 29.700 0.105 0.000 0.736 457 E HN 0.647 nan 8.360 nan 0.000 0.478 458 K N -1.379 119.076 120.400 0.092 0.000 2.273 458 K HA 0.112 4.432 4.320 0.001 0.000 0.206 458 K C 0.880 177.529 176.600 0.082 0.000 1.072 458 K CA 0.407 56.745 56.287 0.085 0.000 0.953 458 K CB -0.242 32.294 32.500 0.060 0.000 1.043 458 K HN -0.088 nan 8.250 nan 0.000 0.477 459 N N 2.561 121.295 118.700 0.057 0.000 2.938 459 N HA -0.026 4.714 4.740 0.001 0.000 0.286 459 N C -0.815 174.750 175.510 0.090 0.000 1.316 459 N CA 0.209 53.287 53.050 0.047 0.000 1.063 459 N CB 0.091 38.583 38.487 0.008 0.000 1.388 459 N HN 0.338 nan 8.380 nan 0.000 0.545 460 S N -0.119 115.681 115.700 0.165 0.000 2.548 460 S HA 0.473 4.943 4.470 0.001 0.000 0.276 460 S C -2.892 171.855 174.600 0.244 0.000 1.129 460 S CA -1.436 56.966 58.200 0.337 0.000 0.931 460 S CB 2.792 66.332 63.200 0.567 0.000 1.068 460 S HN -0.064 nan 8.310 nan 0.000 0.480 461 P HA 0.217 nan 4.420 nan 0.000 0.271 461 P C -0.249 177.053 177.300 0.003 0.000 1.233 461 P CA 0.439 63.485 63.100 -0.090 0.000 0.789 461 P CB -0.105 31.389 31.700 -0.344 0.000 0.951 462 Y N -2.664 117.611 120.300 -0.042 0.000 2.727 462 Y HA -0.259 4.291 4.550 0.001 0.000 0.476 462 Y C 0.717 176.558 175.900 -0.098 0.000 1.254 462 Y CA 1.448 59.486 58.100 -0.104 0.000 2.616 462 Y CB -2.484 35.932 38.460 -0.073 0.000 1.052 462 Y HN 0.312 nan 8.280 nan 0.000 0.558 463 N N 2.990 121.808 118.700 0.198 0.000 2.406 463 N HA 0.315 5.055 4.740 0.001 0.000 0.274 463 N C -0.234 175.315 175.510 0.065 0.000 1.249 463 N CA 0.315 53.453 53.050 0.146 0.000 0.951 463 N CB 0.574 39.209 38.487 0.247 0.000 1.241 463 N HN 0.305 nan 8.380 nan 0.000 0.485 464 E N 1.416 121.621 120.200 0.008 0.000 2.283 464 E HA 0.290 4.640 4.350 0.001 0.000 0.271 464 E C 0.142 176.750 176.600 0.014 0.000 1.031 464 E CA -0.296 56.103 56.400 -0.001 0.000 0.868 464 E CB 0.499 30.180 29.700 -0.031 0.000 1.094 464 E HN 0.466 nan 8.360 nan 0.000 0.401 465 N N 1.891 120.599 118.700 0.014 0.000 2.961 465 N HA -0.244 4.496 4.740 0.001 0.000 0.223 465 N C 0.679 176.209 175.510 0.034 0.000 0.866 465 N CA 1.942 55.003 53.050 0.018 0.000 1.030 465 N CB -1.325 37.171 38.487 0.014 0.000 1.037 465 N HN 0.727 nan 8.380 nan 0.000 0.608 466 G N -1.030 107.800 108.800 0.051 0.000 2.238 466 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 466 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 466 G C -0.063 174.897 174.900 0.100 0.000 0.996 466 G CA 0.250 45.392 45.100 0.070 0.000 0.632 466 G HN 0.639 nan 8.290 nan 0.000 0.503 467 M N -0.633 119.027 119.600 0.100 0.000 2.085 467 M HA 0.760 5.240 4.480 0.001 0.000 0.309 467 M C 0.109 176.519 176.300 0.184 0.000 0.947 467 M CA -1.233 54.153 55.300 0.143 0.000 0.918 467 M CB 1.459 34.123 32.600 0.107 0.000 1.504 467 M HN 0.173 nan 8.290 nan 0.000 0.420 468 F N 4.679 124.688 119.950 0.099 0.000 2.569 468 F HA 0.081 4.609 4.527 0.001 0.000 0.372 468 F C -2.082 173.785 175.800 0.113 0.000 1.053 468 F CA 0.149 58.220 58.000 0.119 0.000 1.282 468 F CB 0.288 39.379 39.000 0.151 0.000 0.956 468 F HN 0.454 nan 8.300 nan 0.000 0.591 469 P HA 0.206 nan 4.420 nan 0.000 0.272 469 P C -1.060 176.312 177.300 0.120 0.000 1.240 469 P CA -0.138 62.880 63.100 -0.136 0.000 0.791 469 P CB 0.521 32.053 31.700 -0.281 0.000 0.978 470 L N 1.957 123.194 121.223 0.024 0.000 2.346 470 L HA 0.440 4.781 4.340 0.001 0.000 0.276 470 L C -2.209 174.534 176.870 -0.212 0.000 1.006 470 L CA -2.578 52.169 54.840 -0.155 0.000 0.817 470 L CB 1.649 43.636 42.059 -0.121 0.000 1.272 470 L HN 0.207 nan 8.230 nan 0.000 0.421 471 P HA -0.022 nan 4.420 nan 0.000 0.260 471 P C -0.799 176.457 177.300 -0.073 0.000 1.185 471 P CA 0.071 63.001 63.100 -0.283 0.000 0.763 471 P CB 0.252 31.462 31.700 -0.816 0.000 0.776 472 E N 2.615 122.858 120.200 0.072 0.000 2.324 472 E HA 0.217 4.567 4.350 0.001 0.000 0.271 472 E C 0.201 176.817 176.600 0.026 0.000 1.028 472 E CA -0.626 55.799 56.400 0.040 0.000 0.890 472 E CB 0.755 30.492 29.700 0.062 0.000 1.004 472 E HN 0.252 nan 8.360 nan 0.000 0.431 473 V N 0.352 120.261 119.914 -0.009 0.000 2.459 473 V HA 0.266 4.386 4.120 0.001 0.000 0.295 473 V C 0.157 176.207 176.094 -0.074 0.000 1.029 473 V CA -1.472 60.805 62.300 -0.038 0.000 0.874 473 V CB 1.232 33.034 31.823 -0.036 0.000 0.985 473 V HN 0.400 nan 8.190 nan 0.000 0.438 474 K N 3.201 123.510 120.400 -0.150 0.000 1.895 474 K HA 0.437 4.757 4.320 0.001 0.000 0.229 474 K C 0.192 176.688 176.600 -0.174 0.000 1.161 474 K CA 1.099 57.265 56.287 -0.201 0.000 1.288 474 K CB -0.938 31.351 32.500 -0.353 0.000 0.962 474 K HN 1.153 nan 8.250 nan 0.000 0.326 475 A N 0.000 122.777 122.820 -0.072 0.000 2.254 475 A HA 0.000 4.320 4.320 0.001 0.000 0.244 475 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 475 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486