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 3bvd_1_A DATA FIRST_RESID 13 DATA SEQUENCE EAYPEKKATL YFLVLGFLAL IVGSLFGPFQ ALNYGNVDAY PLLKRLLPFV DATA SEQUENCE QSYYQGLTLH GVLNAIVFTQ LFAQAIMVYL PARELNMRPN MGLMWLSWWM DATA SEQUENCE AFIGLVVAAL PLLANEATVL YTFYPPLKGH WAFYLGASVF VLSTWVSIYI DATA SEQUENCE VLDLWRRWKA ANPGKVTPLV TYMAVVFWLM WFLASLGLVL EAVLFLLPWS DATA SEQUENCE FGLVEGVDPL VARTLFWWTG HPIVYFWLLP AYAIIYTILP KQAGGRLVSD DATA SEQUENCE PMARLAFLLF LLLSTPVGFH HQFADPGIDP TWKMIHSVLT LFVAVPSLMT DATA SEQUENCE AFTVAASLEF AGRLRGGRGL FGWIRALPWD NPAFVAPVLG LLGFIPGGAG DATA SEQUENCE GIVNASFTLD YVVHNTAWVP GHFHLQVASL VTLTAMGSLY WLLPNLTGKP DATA SEQUENCE ISDAQRRLGL AVVWLWFLGM MIMAVGLHWA GLLNVPRRAY IAQVPDAYPH DATA SEQUENCE AAVPMVFNVL AGIVLLVALL LFIYGLFSVL LSRERKPELA EAPLPFAEVI DATA SEQUENCE SGPEDRRLVL AMDRIGFWFA VAAILVVLAY GPTLVQLFGH LNPVPGWRLW 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 13 E HA 0.000 nan 4.350 nan 0.000 0.291 13 E C 0.000 176.570 176.600 -0.050 0.000 1.382 13 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 13 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 14 A N 0.761 123.552 122.820 -0.048 0.000 1.877 14 A HA -0.061 4.233 4.320 -0.044 0.000 0.216 14 A C 0.437 177.780 177.584 -0.402 0.000 1.186 14 A CA 1.533 53.470 52.037 -0.167 0.000 0.620 14 A CB -0.191 18.814 19.000 0.007 0.000 0.822 14 A HN 0.307 nan 8.150 nan 0.000 0.443 15 Y N -1.495 118.835 120.300 0.051 0.000 2.422 15 Y HA 0.297 4.857 4.550 0.017 0.000 0.344 15 Y C -2.020 173.922 175.900 0.070 0.000 1.097 15 Y CA -1.728 56.414 58.100 0.070 0.000 1.307 15 Y CB 1.409 39.925 38.460 0.093 0.000 1.102 15 Y HN 0.144 nan 8.280 nan 0.000 0.520 16 P HA -0.182 nan 4.420 nan 0.000 0.220 16 P C 1.056 178.444 177.300 0.147 0.000 1.148 16 P CA 1.462 64.663 63.100 0.168 0.000 0.803 16 P CB 0.477 32.281 31.700 0.173 0.000 0.782 17 E N 1.765 122.069 120.200 0.173 0.000 2.153 17 E HA -0.200 4.124 4.350 -0.044 0.000 0.194 17 E C 1.684 178.336 176.600 0.087 0.000 0.988 17 E CA 1.095 57.577 56.400 0.138 0.000 0.811 17 E CB -0.808 29.031 29.700 0.232 0.000 0.746 17 E HN 0.261 nan 8.360 nan 0.000 0.466 18 K N 0.937 121.411 120.400 0.124 0.000 2.089 18 K HA -0.152 4.142 4.320 -0.044 0.000 0.210 18 K C 2.382 178.867 176.600 -0.191 0.000 1.048 18 K CA 1.776 58.023 56.287 -0.066 0.000 0.926 18 K CB -0.103 32.402 32.500 0.008 0.000 0.714 18 K HN 0.092 nan 8.250 nan 0.000 0.448 19 K N 0.152 120.467 120.400 -0.141 0.000 2.025 19 K HA -0.100 4.193 4.320 -0.044 0.000 0.207 19 K C 2.273 178.624 176.600 -0.416 0.000 1.049 19 K CA 1.147 57.286 56.287 -0.246 0.000 0.933 19 K CB -0.151 32.327 32.500 -0.037 0.000 0.714 19 K HN 0.137 nan 8.250 nan 0.000 0.438 20 A N 0.873 123.342 122.820 -0.585 0.000 1.865 20 A HA -0.183 4.111 4.320 -0.044 0.000 0.217 20 A C 2.276 179.756 177.584 -0.174 0.000 1.191 20 A CA 2.275 53.812 52.037 -0.833 0.000 0.623 20 A CB -1.143 17.312 19.000 -0.908 0.000 0.826 20 A HN 0.278 nan 8.150 nan 0.000 0.444 21 T N -0.171 114.323 114.554 -0.098 0.000 2.759 21 T HA -0.146 4.178 4.350 -0.044 0.000 0.269 21 T C 1.790 176.435 174.700 -0.091 0.000 1.042 21 T CA 1.633 63.690 62.100 -0.072 0.000 1.140 21 T CB -0.319 68.304 68.868 -0.408 0.000 0.864 21 T HN 0.346 nan 8.240 nan 0.000 0.455 22 L N -0.247 120.864 121.223 -0.186 0.000 2.095 22 L HA 0.130 4.444 4.340 -0.044 0.000 0.204 22 L C 1.956 178.855 176.870 0.049 0.000 1.080 22 L CA 1.540 56.294 54.840 -0.144 0.000 0.759 22 L CB -0.854 41.050 42.059 -0.259 0.000 0.914 22 L HN 0.383 nan 8.230 nan 0.000 0.439 23 Y N -1.675 118.565 120.300 -0.101 0.000 2.293 23 Y HA -0.278 4.248 4.550 -0.040 0.000 0.291 23 Y C 2.298 178.353 175.900 0.258 0.000 1.137 23 Y CA 0.823 58.875 58.100 -0.080 0.000 1.202 23 Y CB -0.133 37.991 38.460 -0.560 0.000 0.990 23 Y HN 0.174 nan 8.280 nan 0.000 0.537 24 F N 0.006 120.197 119.950 0.403 0.000 2.069 24 F HA -0.327 4.172 4.527 -0.047 0.000 0.298 24 F C 2.188 178.175 175.800 0.312 0.000 1.113 24 F CA 1.340 59.570 58.000 0.382 0.000 1.214 24 F CB -0.515 38.603 39.000 0.197 0.000 0.978 24 F HN -0.045 nan 8.300 nan 0.000 0.474 25 L N -0.736 120.756 121.223 0.448 0.000 1.994 25 L HA -0.243 4.071 4.340 -0.044 0.000 0.208 25 L C 2.353 179.541 176.870 0.530 0.000 1.071 25 L CA 0.996 56.109 54.840 0.455 0.000 0.745 25 L CB -0.929 41.298 42.059 0.280 0.000 0.892 25 L HN -0.021 nan 8.230 nan 0.000 0.431 26 V N 0.002 120.140 119.914 0.373 0.000 2.332 26 V HA -0.301 3.793 4.120 -0.044 0.000 0.248 26 V C 2.372 178.692 176.094 0.377 0.000 1.055 26 V CA 1.858 64.347 62.300 0.315 0.000 1.038 26 V CB -0.464 31.498 31.823 0.231 0.000 0.651 26 V HN 0.347 nan 8.190 nan 0.000 0.450 27 L N 1.167 122.628 121.223 0.398 0.000 2.093 27 L HA 0.063 4.377 4.340 -0.044 0.000 0.208 27 L C 2.307 179.384 176.870 0.345 0.000 1.085 27 L CA 2.257 57.309 54.840 0.355 0.000 0.755 27 L CB -1.194 41.076 42.059 0.352 0.000 0.904 27 L HN 0.247 nan 8.230 nan 0.000 0.435 28 G N -1.034 108.015 108.800 0.415 0.000 2.418 28 G HA2 -0.297 3.637 3.960 -0.044 0.000 0.217 28 G HA3 -0.297 3.637 3.960 -0.044 0.000 0.217 28 G C 1.417 176.565 174.900 0.413 0.000 1.158 28 G CA 0.933 46.286 45.100 0.423 0.000 0.771 28 G HN 0.422 nan 8.290 nan 0.000 0.545 29 F N 0.351 120.526 119.950 0.375 0.000 2.325 29 F HA 0.204 4.705 4.527 -0.044 0.000 0.299 29 F C 2.492 178.425 175.800 0.222 0.000 1.090 29 F CA 0.365 58.530 58.000 0.274 0.000 1.392 29 F CB -0.026 39.139 39.000 0.274 0.000 1.053 29 F HN 0.026 nan 8.300 nan 0.000 0.521 30 L N -0.746 120.703 121.223 0.377 0.000 2.027 30 L HA -0.195 4.119 4.340 -0.044 0.000 0.206 30 L C 2.727 179.705 176.870 0.180 0.000 1.074 30 L CA 1.213 56.226 54.840 0.289 0.000 0.745 30 L CB -0.921 41.297 42.059 0.266 0.000 0.898 30 L HN 0.113 nan 8.230 nan 0.000 0.433 31 A N -0.131 122.781 122.820 0.153 0.000 1.883 31 A HA -0.254 4.040 4.320 -0.044 0.000 0.217 31 A C 2.219 179.807 177.584 0.006 0.000 1.186 31 A CA 1.909 53.996 52.037 0.084 0.000 0.624 31 A CB -0.839 18.226 19.000 0.108 0.000 0.822 31 A HN 0.322 nan 8.150 nan 0.000 0.444 32 L N -0.063 121.099 121.223 -0.101 0.000 1.956 32 L HA -0.201 4.113 4.340 -0.044 0.000 0.216 32 L C 2.356 179.164 176.870 -0.103 0.000 1.073 32 L CA 2.206 56.850 54.840 -0.326 0.000 0.762 32 L CB -0.423 41.132 42.059 -0.840 0.000 0.889 32 L HN 0.459 nan 8.230 nan 0.000 0.433 33 I N -1.367 119.220 120.570 0.029 0.000 2.181 33 I HA -0.387 3.757 4.170 -0.044 0.000 0.247 33 I C 2.194 178.346 176.117 0.058 0.000 1.081 33 I CA 1.661 63.030 61.300 0.116 0.000 1.340 33 I CB -0.353 37.776 38.000 0.215 0.000 1.036 33 I HN 0.200 nan 8.210 nan 0.000 0.417 34 V N 0.337 120.281 119.914 0.050 0.000 2.273 34 V HA -0.110 3.984 4.120 -0.044 0.000 0.242 34 V C 2.565 178.681 176.094 0.036 0.000 1.035 34 V CA 1.988 64.303 62.300 0.026 0.000 1.013 34 V CB -1.410 30.456 31.823 0.072 0.000 0.652 34 V HN 0.526 nan 8.190 nan 0.000 0.452 35 G N -0.001 108.867 108.800 0.115 0.000 2.446 35 G HA2 -0.260 3.674 3.960 -0.044 0.000 0.217 35 G HA3 -0.260 3.674 3.960 -0.044 0.000 0.217 35 G C 1.792 176.928 174.900 0.393 0.000 1.168 35 G CA 1.335 46.587 45.100 0.253 0.000 0.771 35 G HN 0.509 nan 8.290 nan 0.000 0.551 36 S N 0.623 116.450 115.700 0.211 0.000 2.442 36 S HA -0.014 4.429 4.470 -0.044 0.000 0.236 36 S C 2.237 176.948 174.600 0.185 0.000 1.007 36 S CA 0.669 59.039 58.200 0.285 0.000 0.965 36 S CB -0.202 63.119 63.200 0.201 0.000 0.773 36 S HN 0.340 nan 8.310 nan 0.000 0.504 37 L N -0.023 121.213 121.223 0.020 0.000 2.127 37 L HA -0.138 4.175 4.340 -0.044 0.000 0.211 37 L C 1.914 178.752 176.870 -0.054 0.000 1.089 37 L CA 1.411 56.189 54.840 -0.103 0.000 0.757 37 L CB -0.661 41.192 42.059 -0.343 0.000 0.899 37 L HN 0.312 nan 8.230 nan 0.000 0.434 38 F N -0.438 119.577 119.950 0.109 0.000 2.325 38 F HA -0.030 4.471 4.527 -0.044 0.000 0.299 38 F C 2.499 178.273 175.800 -0.044 0.000 1.090 38 F CA 0.553 58.560 58.000 0.012 0.000 1.392 38 F CB -0.948 38.011 39.000 -0.068 0.000 1.053 38 F HN 0.036 nan 8.300 nan 0.000 0.521 39 G N 1.748 110.547 108.800 -0.002 0.000 2.721 39 G HA2 -0.275 3.658 3.960 -0.044 0.000 0.218 39 G HA3 -0.275 3.658 3.960 -0.044 0.000 0.218 39 G C -0.667 174.195 174.900 -0.063 0.000 1.265 39 G CA 1.050 46.050 45.100 -0.168 0.000 0.796 39 G HN 0.184 nan 8.290 nan 0.000 0.620 40 P HA -0.140 nan 4.420 nan 0.000 0.218 40 P C 1.485 178.664 177.300 -0.202 0.000 1.152 40 P CA 1.154 64.142 63.100 -0.186 0.000 0.857 40 P CB -0.202 31.321 31.700 -0.295 0.000 0.787 41 F N -0.977 118.936 119.950 -0.061 0.000 2.206 41 F HA -0.104 4.396 4.527 -0.044 0.000 0.298 41 F C 2.523 178.475 175.800 0.252 0.000 1.090 41 F CA 1.283 59.256 58.000 -0.045 0.000 1.323 41 F CB -0.895 37.884 39.000 -0.368 0.000 1.028 41 F HN -0.053 nan 8.300 nan 0.000 0.492 42 Q N -0.131 119.903 119.800 0.391 0.000 2.137 42 Q HA -0.031 4.283 4.340 -0.044 0.000 0.198 42 Q C 2.506 178.699 176.000 0.320 0.000 0.960 42 Q CA 1.082 57.151 55.803 0.444 0.000 0.847 42 Q CB -0.366 28.492 28.738 0.201 0.000 0.915 42 Q HN 0.389 nan 8.270 nan 0.000 0.448 43 A N 0.829 123.720 122.820 0.118 0.000 1.933 43 A HA -0.153 4.140 4.320 -0.044 0.000 0.218 43 A C 1.992 179.630 177.584 0.088 0.000 1.175 43 A CA 1.077 53.140 52.037 0.043 0.000 0.628 43 A CB -0.594 18.357 19.000 -0.082 0.000 0.814 43 A HN 0.302 nan 8.150 nan 0.000 0.444 44 L N -0.641 120.631 121.223 0.082 0.000 2.217 44 L HA -0.156 4.157 4.340 -0.044 0.000 0.211 44 L C 2.444 179.388 176.870 0.123 0.000 1.107 44 L CA 1.254 56.135 54.840 0.069 0.000 0.783 44 L CB -0.529 41.541 42.059 0.018 0.000 0.919 44 L HN 0.539 nan 8.230 nan 0.000 0.442 45 N N 0.384 119.218 118.700 0.225 0.000 2.025 45 N HA -0.264 4.450 4.740 -0.044 0.000 0.194 45 N C 1.533 177.008 175.510 -0.059 0.000 1.044 45 N CA 1.760 54.882 53.050 0.120 0.000 0.851 45 N CB -0.297 38.320 38.487 0.216 0.000 1.036 45 N HN 0.206 nan 8.380 nan 0.000 0.422 46 Y N -0.748 119.560 120.300 0.014 0.000 2.584 46 Y HA 0.213 4.737 4.550 -0.043 0.000 0.317 46 Y C 1.810 177.685 175.900 -0.041 0.000 1.208 46 Y CA 0.479 58.557 58.100 -0.035 0.000 1.299 46 Y CB -0.188 38.250 38.460 -0.036 0.000 1.047 46 Y HN 0.196 nan 8.280 nan 0.000 0.506 47 G N -0.850 107.988 108.800 0.065 0.000 3.393 47 G HA2 -0.030 3.904 3.960 -0.044 0.000 0.255 47 G HA3 -0.030 3.904 3.960 -0.044 0.000 0.255 47 G C 0.529 175.421 174.900 -0.014 0.000 1.097 47 G CA -0.129 44.986 45.100 0.025 0.000 0.780 47 G HN 0.475 nan 8.290 nan 0.000 0.540 48 N N -0.896 117.775 118.700 -0.049 0.000 2.725 48 N HA -0.183 4.530 4.740 -0.044 0.000 0.249 48 N C -0.698 174.782 175.510 -0.051 0.000 1.103 48 N CA 0.239 53.244 53.050 -0.074 0.000 0.707 48 N CB -0.577 37.875 38.487 -0.058 0.000 1.043 48 N HN 0.111 nan 8.380 nan 0.000 0.553 49 V N 1.016 120.918 119.914 -0.019 0.000 2.448 49 V HA 0.212 4.306 4.120 -0.044 0.000 0.295 49 V C 0.073 176.209 176.094 0.070 0.000 1.025 49 V CA -0.565 61.743 62.300 0.012 0.000 0.859 49 V CB 1.750 33.580 31.823 0.012 0.000 0.988 49 V HN 0.065 nan 8.190 nan 0.000 0.431 50 D N 4.190 124.641 120.400 0.084 0.000 2.639 50 D HA 0.324 4.938 4.640 -0.044 0.000 0.233 50 D C 0.916 177.377 176.300 0.268 0.000 1.161 50 D CA -0.169 53.944 54.000 0.189 0.000 1.003 50 D CB 1.230 42.091 40.800 0.101 0.000 1.034 50 D HN 0.663 nan 8.370 nan 0.000 0.514 51 A N 1.994 125.000 122.820 0.310 0.000 2.250 51 A HA -0.066 4.228 4.320 -0.044 0.000 0.208 51 A C 0.951 178.722 177.584 0.311 0.000 1.254 51 A CA 0.228 52.420 52.037 0.257 0.000 0.858 51 A CB -0.439 18.637 19.000 0.127 0.000 0.820 51 A HN 0.463 nan 8.150 nan 0.000 0.484 52 Y N 0.364 120.809 120.300 0.242 0.000 2.397 52 Y HA 0.008 4.531 4.550 -0.044 0.000 0.292 52 Y C -0.237 175.696 175.900 0.055 0.000 1.115 52 Y CA 1.028 59.209 58.100 0.136 0.000 1.208 52 Y CB -0.556 37.967 38.460 0.106 0.000 1.046 52 Y HN 0.326 nan 8.280 nan 0.000 0.552 53 P HA -0.198 nan 4.420 nan 0.000 0.218 53 P C 1.834 179.170 177.300 0.061 0.000 1.148 53 P CA 1.203 64.367 63.100 0.107 0.000 0.822 53 P CB 0.168 31.929 31.700 0.102 0.000 0.784 54 L N -0.660 120.614 121.223 0.085 0.000 2.093 54 L HA -0.099 4.215 4.340 -0.044 0.000 0.208 54 L C 2.336 179.216 176.870 0.016 0.000 1.085 54 L CA 1.474 56.365 54.840 0.084 0.000 0.755 54 L CB -1.606 40.547 42.059 0.156 0.000 0.904 54 L HN -0.025 nan 8.230 nan 0.000 0.435 55 L N 0.088 121.234 121.223 -0.129 0.000 2.093 55 L HA -0.175 4.139 4.340 -0.044 0.000 0.208 55 L C 2.563 179.260 176.870 -0.287 0.000 1.085 55 L CA 1.604 56.151 54.840 -0.488 0.000 0.755 55 L CB -0.545 40.883 42.059 -1.052 0.000 0.904 55 L HN 0.122 nan 8.230 nan 0.000 0.435 56 K N -0.453 119.856 120.400 -0.153 0.000 2.057 56 K HA -0.226 4.068 4.320 -0.044 0.000 0.207 56 K C 2.246 178.809 176.600 -0.062 0.000 1.049 56 K CA 1.537 57.766 56.287 -0.096 0.000 0.931 56 K CB -0.361 32.121 32.500 -0.031 0.000 0.714 56 K HN 0.334 nan 8.250 nan 0.000 0.440 57 R N 0.908 121.386 120.500 -0.037 0.000 2.083 57 R HA -0.148 4.166 4.340 -0.044 0.000 0.237 57 R C 2.317 178.605 176.300 -0.020 0.000 1.137 57 R CA 1.274 57.365 56.100 -0.013 0.000 0.951 57 R CB -0.233 30.070 30.300 0.004 0.000 0.851 57 R HN 0.000 nan 8.270 nan 0.000 0.434 58 L N -0.004 121.191 121.223 -0.047 0.000 2.056 58 L HA 0.001 4.315 4.340 -0.044 0.000 0.207 58 L C 0.392 177.240 176.870 -0.037 0.000 1.078 58 L CA 1.380 56.193 54.840 -0.044 0.000 0.749 58 L CB -0.033 41.986 42.059 -0.066 0.000 0.901 58 L HN 0.133 nan 8.230 nan 0.000 0.433 59 L N 0.127 121.292 121.223 -0.097 0.000 2.442 59 L HA 0.300 4.614 4.340 -0.044 0.000 0.261 59 L C -1.636 175.168 176.870 -0.111 0.000 1.000 59 L CA -1.177 53.625 54.840 -0.063 0.000 0.882 59 L CB 1.599 43.509 42.059 -0.249 0.000 1.207 59 L HN -0.166 nan 8.230 nan 0.000 0.443 60 P HA -0.215 nan 4.420 nan 0.000 0.219 60 P C 1.444 178.772 177.300 0.047 0.000 1.146 60 P CA 1.254 64.376 63.100 0.036 0.000 0.808 60 P CB 0.007 31.756 31.700 0.082 0.000 0.779 61 F N -0.302 119.649 119.950 0.002 0.000 2.502 61 F HA 0.083 4.583 4.527 -0.044 0.000 0.298 61 F C 0.667 176.472 175.800 0.007 0.000 1.111 61 F CA -0.173 57.830 58.000 0.005 0.000 1.445 61 F CB -1.640 37.362 39.000 0.004 0.000 1.081 61 F HN -0.396 nan 8.300 nan 0.000 0.558 62 V N 3.927 123.447 119.914 -0.656 0.000 2.400 62 V HA -0.042 4.051 4.120 -0.044 0.000 0.263 62 V C 1.084 177.068 176.094 -0.184 0.000 1.026 62 V CA 0.092 62.108 62.300 -0.473 0.000 1.077 62 V CB 0.248 31.799 31.823 -0.454 0.000 1.054 62 V HN 0.407 nan 8.190 nan 0.000 0.477 63 Q N 2.753 122.492 119.800 -0.102 0.000 2.062 63 Q HA 0.026 4.340 4.340 -0.044 0.000 0.196 63 Q C 0.971 176.951 176.000 -0.033 0.000 0.967 63 Q CA 1.121 56.911 55.803 -0.023 0.000 0.832 63 Q CB 0.292 29.054 28.738 0.040 0.000 0.899 63 Q HN 0.853 nan 8.270 nan 0.000 0.442 64 S N -1.922 113.734 115.700 -0.073 0.000 2.564 64 S HA 0.284 4.728 4.470 -0.044 0.000 0.274 64 S C 0.289 174.734 174.600 -0.257 0.000 1.124 64 S CA -0.830 57.301 58.200 -0.114 0.000 0.869 64 S CB 0.952 64.169 63.200 0.029 0.000 1.105 64 S HN 0.215 nan 8.310 nan 0.000 0.472 65 Y N 1.711 121.581 120.300 -0.717 0.000 2.069 65 Y HA -0.299 4.225 4.550 -0.043 0.000 0.278 65 Y C 1.644 177.173 175.900 -0.618 0.000 1.175 65 Y CA 2.065 59.554 58.100 -1.018 0.000 1.134 65 Y CB -0.741 36.671 38.460 -1.747 0.000 0.965 65 Y HN 0.820 nan 8.280 nan 0.000 0.498 66 Y N 0.146 120.314 120.300 -0.220 0.000 2.509 66 Y HA -0.170 4.354 4.550 -0.044 0.000 0.293 66 Y C 2.729 178.432 175.900 -0.328 0.000 1.133 66 Y CA 1.164 59.125 58.100 -0.231 0.000 1.283 66 Y CB -0.576 37.849 38.460 -0.057 0.000 1.001 66 Y HN 0.306 nan 8.280 nan 0.000 0.555 67 Q N 0.588 120.251 119.800 -0.228 0.000 2.046 67 Q HA -0.128 4.186 4.340 -0.044 0.000 0.200 67 Q C 2.519 178.225 176.000 -0.490 0.000 0.975 67 Q CA 1.517 57.132 55.803 -0.314 0.000 0.836 67 Q CB -0.473 28.120 28.738 -0.241 0.000 0.896 67 Q HN 0.549 nan 8.270 nan 0.000 0.428 68 G N 1.335 109.733 108.800 -0.669 0.000 2.446 68 G HA2 -0.284 3.650 3.960 -0.044 0.000 0.217 68 G HA3 -0.284 3.650 3.960 -0.044 0.000 0.217 68 G C 1.330 175.743 174.900 -0.811 0.000 1.168 68 G CA 0.873 45.241 45.100 -1.220 0.000 0.771 68 G HN 0.380 nan 8.290 nan 0.000 0.551 69 L N 1.075 121.974 121.223 -0.539 0.000 2.191 69 L HA 0.011 4.325 4.340 -0.044 0.000 0.212 69 L C 2.882 179.672 176.870 -0.134 0.000 1.103 69 L CA 2.166 56.842 54.840 -0.274 0.000 0.769 69 L CB -0.533 41.383 42.059 -0.238 0.000 0.908 69 L HN 0.207 nan 8.230 nan 0.000 0.438 70 T N -0.923 113.506 114.554 -0.209 0.000 2.770 70 T HA -0.100 4.224 4.350 -0.044 0.000 0.263 70 T C 1.902 176.513 174.700 -0.148 0.000 1.039 70 T CA 1.503 63.506 62.100 -0.161 0.000 1.142 70 T CB -0.257 68.446 68.868 -0.275 0.000 0.868 70 T HN 0.246 nan 8.240 nan 0.000 0.435 71 L N 0.257 121.335 121.223 -0.241 0.000 2.017 71 L HA -0.095 4.219 4.340 -0.044 0.000 0.208 71 L C 2.587 179.452 176.870 -0.008 0.000 1.073 71 L CA 1.557 56.313 54.840 -0.139 0.000 0.745 71 L CB -0.543 41.392 42.059 -0.207 0.000 0.894 71 L HN 0.341 nan 8.230 nan 0.000 0.432 72 H N -0.441 118.565 119.070 -0.107 0.000 2.491 72 H HA -0.076 4.454 4.556 -0.043 0.000 0.290 72 H C 1.959 177.237 175.328 -0.084 0.000 1.050 72 H CA 1.338 57.407 56.048 0.034 0.000 1.309 72 H CB 0.065 29.874 29.762 0.078 0.000 1.392 72 H HN 0.242 nan 8.280 nan 0.000 0.554 73 G N -0.707 108.003 108.800 -0.150 0.000 2.459 73 G HA2 -0.080 3.854 3.960 -0.044 0.000 0.213 73 G HA3 -0.080 3.854 3.960 -0.044 0.000 0.213 73 G C 1.631 176.337 174.900 -0.324 0.000 1.155 73 G CA 0.592 45.465 45.100 -0.379 0.000 0.811 73 G HN 0.329 nan 8.290 nan 0.000 0.534 74 V N 1.283 121.142 119.914 -0.092 0.000 2.255 74 V HA -0.042 4.052 4.120 -0.044 0.000 0.243 74 V C 2.874 178.905 176.094 -0.105 0.000 1.038 74 V CA 1.295 63.588 62.300 -0.011 0.000 1.008 74 V CB -0.611 31.244 31.823 0.053 0.000 0.645 74 V HN 0.292 nan 8.190 nan 0.000 0.449 75 L N 0.171 121.334 121.223 -0.099 0.000 2.079 75 L HA -0.201 4.113 4.340 -0.044 0.000 0.210 75 L C 2.231 179.042 176.870 -0.099 0.000 1.081 75 L CA 1.933 56.723 54.840 -0.083 0.000 0.752 75 L CB -0.733 41.314 42.059 -0.020 0.000 0.896 75 L HN 0.461 nan 8.230 nan 0.000 0.433 76 N N -0.509 118.066 118.700 -0.208 0.000 2.349 76 N HA 0.013 4.726 4.740 -0.044 0.000 0.180 76 N C 1.869 177.190 175.510 -0.315 0.000 1.024 76 N CA 0.918 53.810 53.050 -0.264 0.000 0.869 76 N CB 0.100 38.320 38.487 -0.446 0.000 1.022 76 N HN 0.230 nan 8.380 nan 0.000 0.433 77 A N 0.739 123.273 122.820 -0.477 0.000 2.030 77 A HA 0.094 4.388 4.320 -0.044 0.000 0.215 77 A C 1.788 179.004 177.584 -0.613 0.000 1.164 77 A CA 0.657 52.252 52.037 -0.736 0.000 0.697 77 A CB 0.071 18.579 19.000 -0.819 0.000 0.827 77 A HN 0.096 nan 8.150 nan 0.000 0.457 78 I N -1.229 119.211 120.570 -0.217 0.000 2.900 78 I HA 0.009 4.153 4.170 -0.044 0.000 0.251 78 I C 2.400 178.532 176.117 0.025 0.000 1.102 78 I CA 0.779 62.089 61.300 0.017 0.000 1.457 78 I CB -1.258 36.821 38.000 0.132 0.000 1.285 78 I HN 0.074 nan 8.210 nan 0.000 0.459 79 V N 1.766 121.645 119.914 -0.060 0.000 2.221 79 V HA -0.298 3.795 4.120 -0.044 0.000 0.242 79 V C 2.454 178.675 176.094 0.210 0.000 1.041 79 V CA 2.202 64.525 62.300 0.038 0.000 0.995 79 V CB -0.899 30.840 31.823 -0.141 0.000 0.635 79 V HN 0.357 nan 8.190 nan 0.000 0.448 80 F N 2.210 122.139 119.950 -0.036 0.000 2.087 80 F HA -0.324 4.177 4.527 -0.043 0.000 0.299 80 F C 2.590 178.360 175.800 -0.051 0.000 1.100 80 F CA 2.704 60.661 58.000 -0.072 0.000 1.226 80 F CB -1.026 37.838 39.000 -0.227 0.000 0.983 80 F HN 0.341 nan 8.300 nan 0.000 0.479 81 T N -1.537 112.740 114.554 -0.462 0.000 2.746 81 T HA -0.266 4.058 4.350 -0.044 0.000 0.267 81 T C 1.964 176.559 174.700 -0.175 0.000 1.039 81 T CA 1.498 63.276 62.100 -0.537 0.000 1.142 81 T CB -0.845 67.611 68.868 -0.687 0.000 0.866 81 T HN 0.616 nan 8.240 nan 0.000 0.444 82 Q N 0.740 120.600 119.800 0.101 0.000 2.046 82 Q HA -0.023 4.291 4.340 -0.044 0.000 0.200 82 Q C 2.470 178.577 176.000 0.178 0.000 0.975 82 Q CA 1.119 57.122 55.803 0.332 0.000 0.836 82 Q CB -0.308 28.778 28.738 0.580 0.000 0.896 82 Q HN 0.583 nan 8.270 nan 0.000 0.428 83 L N 0.064 121.407 121.223 0.200 0.000 2.013 83 L HA -0.222 4.091 4.340 -0.044 0.000 0.212 83 L C 2.487 179.393 176.870 0.060 0.000 1.073 83 L CA 1.580 56.551 54.840 0.219 0.000 0.753 83 L CB -0.601 41.663 42.059 0.341 0.000 0.890 83 L HN 0.297 nan 8.230 nan 0.000 0.432 84 F N 0.589 120.400 119.950 -0.232 0.000 2.134 84 F HA -0.225 4.278 4.527 -0.040 0.000 0.299 84 F C 2.420 178.053 175.800 -0.277 0.000 1.097 84 F CA 1.270 59.087 58.000 -0.305 0.000 1.264 84 F CB -0.251 38.375 39.000 -0.623 0.000 1.001 84 F HN 0.003 nan 8.300 nan 0.000 0.479 85 A N -0.104 122.558 122.820 -0.263 0.000 1.902 85 A HA -0.235 4.059 4.320 -0.044 0.000 0.217 85 A C 2.148 179.584 177.584 -0.247 0.000 1.181 85 A CA 1.821 53.597 52.037 -0.436 0.000 0.623 85 A CB -0.857 17.681 19.000 -0.769 0.000 0.818 85 A HN 0.595 nan 8.150 nan 0.000 0.443 86 Q N -0.850 118.887 119.800 -0.106 0.000 2.224 86 Q HA -0.039 4.274 4.340 -0.044 0.000 0.203 86 Q C 2.350 178.058 176.000 -0.486 0.000 0.970 86 Q CA 1.016 56.736 55.803 -0.137 0.000 0.865 86 Q CB -0.282 28.226 28.738 -0.383 0.000 0.922 86 Q HN 0.715 nan 8.270 nan 0.000 0.445 87 A N 1.074 123.600 122.820 -0.490 0.000 1.831 87 A HA -0.129 4.164 4.320 -0.044 0.000 0.213 87 A C 1.948 179.376 177.584 -0.259 0.000 1.223 87 A CA 0.786 52.603 52.037 -0.366 0.000 0.604 87 A CB -0.470 18.383 19.000 -0.245 0.000 0.878 87 A HN 0.181 nan 8.150 nan 0.000 0.450 88 I N -0.078 120.232 120.570 -0.434 0.000 2.099 88 I HA -0.223 3.921 4.170 -0.044 0.000 0.239 88 I C 2.188 178.191 176.117 -0.190 0.000 1.066 88 I CA 1.582 62.662 61.300 -0.366 0.000 1.324 88 I CB -1.144 36.461 38.000 -0.658 0.000 1.037 88 I HN 0.270 nan 8.210 nan 0.000 0.401 89 M N -0.304 119.155 119.600 -0.235 0.000 2.659 89 M HA -0.005 4.449 4.480 -0.044 0.000 0.243 89 M C 1.893 178.339 176.300 0.243 0.000 1.111 89 M CA 0.597 55.818 55.300 -0.131 0.000 1.070 89 M CB -0.846 31.407 32.600 -0.578 0.000 1.525 89 M HN 0.063 nan 8.290 nan 0.000 0.517 90 V N -2.089 117.920 119.914 0.157 0.000 2.806 90 V HA -0.102 3.992 4.120 -0.044 0.000 0.239 90 V C 1.916 178.062 176.094 0.087 0.000 1.113 90 V CA 0.459 62.828 62.300 0.115 0.000 1.137 90 V CB -0.622 31.206 31.823 0.009 0.000 0.865 90 V HN 0.230 nan 8.190 nan 0.000 0.482 91 Y N 0.898 121.169 120.300 -0.049 0.000 2.242 91 Y HA -0.104 4.421 4.550 -0.042 0.000 0.291 91 Y C 2.052 177.958 175.900 0.010 0.000 1.137 91 Y CA 1.528 59.608 58.100 -0.034 0.000 1.181 91 Y CB -0.082 38.338 38.460 -0.067 0.000 0.989 91 Y HN 0.120 nan 8.280 nan 0.000 0.527 92 L N 0.532 121.754 121.223 -0.001 0.000 2.049 92 L HA -0.087 4.227 4.340 -0.044 0.000 0.203 92 L C -0.276 176.597 176.870 0.004 0.000 1.074 92 L CA 1.041 55.882 54.840 0.001 0.000 0.749 92 L CB -1.800 40.293 42.059 0.056 0.000 0.907 92 L HN 0.129 nan 8.230 nan 0.000 0.439 93 P HA -0.190 nan 4.420 nan 0.000 0.218 93 P C 1.335 178.589 177.300 -0.077 0.000 1.148 93 P CA 1.879 64.952 63.100 -0.046 0.000 0.822 93 P CB 0.032 31.718 31.700 -0.023 0.000 0.784 94 A N 1.321 124.093 122.820 -0.079 0.000 1.834 94 A HA -0.201 4.092 4.320 -0.044 0.000 0.216 94 A C 2.384 179.892 177.584 -0.126 0.000 1.203 94 A CA 1.654 53.640 52.037 -0.084 0.000 0.621 94 A CB -1.269 17.680 19.000 -0.084 0.000 0.841 94 A HN -0.021 nan 8.150 nan 0.000 0.446 95 R N -0.159 120.187 120.500 -0.257 0.000 2.170 95 R HA -0.143 4.171 4.340 -0.044 0.000 0.242 95 R C 1.949 178.152 176.300 -0.162 0.000 1.145 95 R CA 1.370 57.321 56.100 -0.247 0.000 0.984 95 R CB -0.688 29.372 30.300 -0.401 0.000 0.869 95 R HN 0.803 nan 8.270 nan 0.000 0.455 96 E N 0.559 120.655 120.200 -0.173 0.000 2.158 96 E HA -0.053 4.271 4.350 -0.044 0.000 0.191 96 E C 1.846 178.307 176.600 -0.232 0.000 0.982 96 E CA 0.512 56.716 56.400 -0.326 0.000 0.823 96 E CB 0.159 29.668 29.700 -0.319 0.000 0.766 96 E HN 0.276 nan 8.360 nan 0.000 0.468 97 L N 0.126 121.262 121.223 -0.146 0.000 2.341 97 L HA 0.011 4.325 4.340 -0.044 0.000 0.214 97 L C 1.324 178.240 176.870 0.076 0.000 1.115 97 L CA 0.418 55.234 54.840 -0.041 0.000 0.820 97 L CB -0.132 41.913 42.059 -0.023 0.000 0.944 97 L HN 0.201 nan 8.230 nan 0.000 0.452 98 N N -1.068 117.647 118.700 0.024 0.000 2.924 98 N HA -0.227 4.486 4.740 -0.044 0.000 0.210 98 N C 0.299 175.877 175.510 0.114 0.000 0.902 98 N CA 1.312 54.407 53.050 0.075 0.000 1.061 98 N CB -0.934 37.604 38.487 0.084 0.000 0.985 98 N HN 0.155 nan 8.380 nan 0.000 0.600 99 M N 0.915 120.583 119.600 0.113 0.000 2.252 99 M HA 0.007 4.461 4.480 -0.044 0.000 0.333 99 M C 0.921 177.280 176.300 0.098 0.000 1.111 99 M CA 0.310 55.676 55.300 0.109 0.000 1.140 99 M CB 0.446 33.126 32.600 0.133 0.000 1.538 99 M HN 0.145 nan 8.290 nan 0.000 0.448 100 R N 3.038 123.593 120.500 0.092 0.000 2.390 100 R HA 0.363 4.677 4.340 -0.044 0.000 0.291 100 R C -2.484 173.866 176.300 0.083 0.000 1.070 100 R CA -1.401 54.758 56.100 0.098 0.000 1.014 100 R CB 0.600 30.950 30.300 0.083 0.000 1.007 100 R HN 0.279 nan 8.270 nan 0.000 0.466 101 P HA 0.026 nan 4.420 nan 0.000 0.278 101 P C -1.088 176.264 177.300 0.086 0.000 1.238 101 P CA -0.514 62.629 63.100 0.071 0.000 0.794 101 P CB 0.564 32.303 31.700 0.066 0.000 0.955 102 N N 3.290 122.041 118.700 0.086 0.000 2.396 102 N HA -0.048 4.666 4.740 -0.044 0.000 0.287 102 N C 0.850 176.443 175.510 0.139 0.000 1.316 102 N CA 0.242 53.361 53.050 0.114 0.000 0.972 102 N CB 0.069 38.634 38.487 0.130 0.000 1.341 102 N HN 0.229 nan 8.380 nan 0.000 0.487 103 M N 2.075 121.768 119.600 0.155 0.000 2.374 103 M HA -0.010 4.444 4.480 -0.044 0.000 0.264 103 M C 1.986 178.477 176.300 0.319 0.000 1.067 103 M CA 0.538 55.964 55.300 0.210 0.000 1.103 103 M CB -1.315 31.431 32.600 0.243 0.000 1.402 103 M HN 0.531 nan 8.290 nan 0.000 0.444 104 G N 0.338 109.288 108.800 0.250 0.000 2.418 104 G HA2 -0.142 3.792 3.960 -0.044 0.000 0.217 104 G HA3 -0.142 3.792 3.960 -0.044 0.000 0.217 104 G C 1.652 176.708 174.900 0.260 0.000 1.158 104 G CA 0.433 45.680 45.100 0.245 0.000 0.771 104 G HN 0.435 nan 8.290 nan 0.000 0.545 105 L N -0.324 121.035 121.223 0.226 0.000 2.270 105 L HA 0.211 4.525 4.340 -0.044 0.000 0.210 105 L C 2.793 179.806 176.870 0.238 0.000 1.104 105 L CA 0.307 55.282 54.840 0.226 0.000 0.804 105 L CB -0.195 41.995 42.059 0.218 0.000 0.937 105 L HN 0.189 nan 8.230 nan 0.000 0.450 106 M N -1.365 118.355 119.600 0.201 0.000 2.394 106 M HA -0.157 4.297 4.480 -0.044 0.000 0.264 106 M C 1.569 177.939 176.300 0.116 0.000 1.073 106 M CA 1.654 57.033 55.300 0.133 0.000 1.111 106 M CB -0.005 32.612 32.600 0.028 0.000 1.401 106 M HN 0.311 nan 8.290 nan 0.000 0.448 107 W N -0.608 120.855 121.300 0.272 0.000 2.863 107 W HA -0.044 4.587 4.660 -0.048 0.000 0.258 107 W C 1.789 178.577 176.519 0.447 0.000 1.298 107 W CA -0.233 57.318 57.345 0.342 0.000 1.451 107 W CB 0.058 29.722 29.460 0.340 0.000 1.107 107 W HN 0.154 nan 8.180 nan 0.000 0.641 108 L N 0.888 122.428 121.223 0.529 0.000 2.093 108 L HA -0.176 4.138 4.340 -0.044 0.000 0.208 108 L C 2.574 179.677 176.870 0.389 0.000 1.085 108 L CA 2.514 57.608 54.840 0.423 0.000 0.755 108 L CB -1.075 41.158 42.059 0.291 0.000 0.904 108 L HN -0.041 nan 8.230 nan 0.000 0.435 109 S N -1.548 114.375 115.700 0.371 0.000 2.348 109 S HA -0.302 4.142 4.470 -0.044 0.000 0.221 109 S C 1.950 176.771 174.600 0.369 0.000 1.033 109 S CA 1.263 59.689 58.200 0.376 0.000 1.010 109 S CB -1.673 61.785 63.200 0.431 0.000 0.891 109 S HN 0.659 nan 8.310 nan 0.000 0.442 110 W N 0.852 122.191 121.300 0.065 0.000 2.381 110 W HA 0.047 4.683 4.660 -0.041 0.000 0.301 110 W C 1.903 178.345 176.519 -0.128 0.000 1.205 110 W CA 1.043 58.143 57.345 -0.409 0.000 1.285 110 W CB -0.432 28.550 29.460 -0.796 0.000 1.133 110 W HN 0.334 nan 8.180 nan 0.000 0.521 111 W N -0.102 121.492 121.300 0.489 0.000 2.388 111 W HA -0.157 4.476 4.660 -0.046 0.000 0.294 111 W C 2.558 179.156 176.519 0.132 0.000 1.212 111 W CA 1.322 58.893 57.345 0.376 0.000 1.271 111 W CB -0.606 29.099 29.460 0.409 0.000 1.126 111 W HN -0.208 nan 8.180 nan 0.000 0.535 112 M N -0.277 119.524 119.600 0.335 0.000 2.080 112 M HA -0.213 4.241 4.480 -0.044 0.000 0.260 112 M C 2.379 178.706 176.300 0.045 0.000 1.068 112 M CA 1.984 57.395 55.300 0.186 0.000 1.109 112 M CB -0.890 31.804 32.600 0.156 0.000 1.342 112 M HN 0.056 nan 8.290 nan 0.000 0.405 113 A N -0.323 122.423 122.820 -0.124 0.000 1.933 113 A HA -0.188 4.106 4.320 -0.044 0.000 0.218 113 A C 1.982 179.392 177.584 -0.289 0.000 1.175 113 A CA 1.425 53.227 52.037 -0.391 0.000 0.628 113 A CB -0.860 17.820 19.000 -0.533 0.000 0.814 113 A HN 0.505 nan 8.150 nan 0.000 0.444 114 F N 0.273 119.854 119.950 -0.614 0.000 2.149 114 F HA -0.041 4.460 4.527 -0.043 0.000 0.294 114 F C 2.019 177.730 175.800 -0.149 0.000 1.095 114 F CA 1.132 58.782 58.000 -0.583 0.000 1.276 114 F CB 0.004 38.280 39.000 -1.207 0.000 1.023 114 F HN 0.093 nan 8.300 nan 0.000 0.480 115 I N 0.594 121.298 120.570 0.222 0.000 2.142 115 I HA -0.197 3.947 4.170 -0.044 0.000 0.240 115 I C 2.837 179.012 176.117 0.097 0.000 1.078 115 I CA 1.648 63.079 61.300 0.218 0.000 1.343 115 I CB -2.200 35.974 38.000 0.289 0.000 1.046 115 I HN 0.273 nan 8.210 nan 0.000 0.405 116 G N 1.266 110.137 108.800 0.118 0.000 2.505 116 G HA2 -0.292 3.642 3.960 -0.044 0.000 0.220 116 G HA3 -0.292 3.642 3.960 -0.044 0.000 0.220 116 G C 1.746 176.712 174.900 0.111 0.000 1.145 116 G CA 1.039 46.219 45.100 0.133 0.000 0.761 116 G HN 0.328 nan 8.290 nan 0.000 0.571 117 L N 0.899 122.200 121.223 0.130 0.000 1.970 117 L HA -0.070 4.244 4.340 -0.044 0.000 0.212 117 L C 2.974 179.773 176.870 -0.118 0.000 1.071 117 L CA 1.823 56.651 54.840 -0.021 0.000 0.751 117 L CB -0.895 41.117 42.059 -0.078 0.000 0.889 117 L HN 0.093 nan 8.230 nan 0.000 0.432 118 V N -0.815 118.995 119.914 -0.173 0.000 2.392 118 V HA -0.303 3.791 4.120 -0.044 0.000 0.249 118 V C 2.565 178.618 176.094 -0.069 0.000 1.059 118 V CA 1.662 63.880 62.300 -0.136 0.000 1.051 118 V CB -0.730 31.029 31.823 -0.106 0.000 0.658 118 V HN 0.410 nan 8.190 nan 0.000 0.455 119 V N 0.325 120.218 119.914 -0.034 0.000 2.287 119 V HA -0.271 3.823 4.120 -0.044 0.000 0.248 119 V C 2.669 178.710 176.094 -0.087 0.000 1.053 119 V CA 2.205 64.479 62.300 -0.043 0.000 1.027 119 V CB -1.126 30.699 31.823 0.002 0.000 0.646 119 V HN 0.575 nan 8.190 nan 0.000 0.447 120 A N -0.366 122.413 122.820 -0.069 0.000 1.968 120 A HA 0.060 4.354 4.320 -0.044 0.000 0.217 120 A C 2.392 179.967 177.584 -0.016 0.000 1.169 120 A CA 1.659 53.669 52.037 -0.046 0.000 0.638 120 A CB -0.625 18.335 19.000 -0.067 0.000 0.812 120 A HN 0.540 nan 8.150 nan 0.000 0.446 121 A N 0.049 122.832 122.820 -0.062 0.000 1.877 121 A HA -0.048 4.246 4.320 -0.044 0.000 0.216 121 A C 2.136 179.669 177.584 -0.086 0.000 1.186 121 A CA 1.501 53.496 52.037 -0.071 0.000 0.620 121 A CB -0.669 18.273 19.000 -0.097 0.000 0.822 121 A HN 0.448 nan 8.150 nan 0.000 0.443 122 L N -0.377 120.784 121.223 -0.103 0.000 2.012 122 L HA -0.154 4.160 4.340 -0.044 0.000 0.210 122 L C -0.371 176.405 176.870 -0.156 0.000 1.073 122 L CA 1.764 56.529 54.840 -0.124 0.000 0.748 122 L CB -1.438 40.551 42.059 -0.116 0.000 0.891 122 L HN 0.240 nan 8.230 nan 0.000 0.431 123 P HA -0.209 nan 4.420 nan 0.000 0.214 123 P C 1.893 179.098 177.300 -0.159 0.000 1.163 123 P CA 1.513 64.471 63.100 -0.237 0.000 0.889 123 P CB -0.003 31.604 31.700 -0.154 0.000 0.790 124 L N -1.705 119.425 121.223 -0.154 0.000 1.990 124 L HA -0.209 4.105 4.340 -0.044 0.000 0.213 124 L C 2.549 179.379 176.870 -0.067 0.000 1.072 124 L CA 1.526 56.262 54.840 -0.173 0.000 0.755 124 L CB -1.350 40.601 42.059 -0.180 0.000 0.889 124 L HN -0.080 nan 8.230 nan 0.000 0.432 125 L N -0.192 121.013 121.223 -0.029 0.000 2.127 125 L HA -0.177 4.136 4.340 -0.044 0.000 0.211 125 L C 2.424 179.337 176.870 0.072 0.000 1.089 125 L CA 1.166 56.032 54.840 0.043 0.000 0.757 125 L CB -0.619 41.361 42.059 -0.132 0.000 0.899 125 L HN 0.257 nan 8.230 nan 0.000 0.434 126 A N -0.964 121.847 122.820 -0.015 0.000 2.302 126 A HA 0.019 4.313 4.320 -0.044 0.000 0.219 126 A C 0.826 178.436 177.584 0.044 0.000 1.243 126 A CA 0.200 52.236 52.037 -0.001 0.000 0.856 126 A CB -0.624 18.332 19.000 -0.074 0.000 0.893 126 A HN 0.557 nan 8.150 nan 0.000 0.491 127 N N -0.625 118.110 118.700 0.058 0.000 2.727 127 N HA -0.141 4.573 4.740 -0.044 0.000 0.251 127 N C 0.278 175.928 175.510 0.234 0.000 1.040 127 N CA 1.050 54.161 53.050 0.101 0.000 0.712 127 N CB -0.518 38.061 38.487 0.152 0.000 0.912 127 N HN 0.510 nan 8.380 nan 0.000 0.545 128 E N -1.283 118.992 120.200 0.125 0.000 2.541 128 E HA 0.347 4.671 4.350 -0.044 0.000 0.219 128 E C 0.383 177.129 176.600 0.243 0.000 0.922 128 E CA 0.739 57.278 56.400 0.230 0.000 1.095 128 E CB 0.624 30.301 29.700 -0.037 0.000 1.112 128 E HN 0.453 nan 8.360 nan 0.000 0.516 129 A N 0.899 123.634 122.820 -0.142 0.000 2.610 129 A HA 0.189 4.483 4.320 -0.044 0.000 0.290 129 A C 0.342 177.392 177.584 -0.890 0.000 1.001 129 A CA -0.298 51.438 52.037 -0.501 0.000 1.004 129 A CB -0.197 18.328 19.000 -0.793 0.000 1.220 129 A HN -0.112 nan 8.150 nan 0.000 0.507 130 T N 1.959 115.821 114.554 -1.155 0.000 4.216 130 T HA 0.215 4.539 4.350 -0.044 0.000 0.221 130 T C 1.133 175.095 174.700 -1.230 0.000 0.939 130 T CA 1.186 62.568 62.100 -1.197 0.000 1.218 130 T CB -0.783 67.348 68.868 -1.229 0.000 1.266 130 T HN 0.958 nan 8.240 nan 0.000 0.917 131 V N -0.354 119.100 119.914 -0.767 0.000 3.398 131 V HA 0.451 4.544 4.120 -0.044 0.000 0.298 131 V C 0.241 176.215 176.094 -0.201 0.000 1.496 131 V CA -0.740 61.303 62.300 -0.427 0.000 1.044 131 V CB -0.792 30.887 31.823 -0.240 0.000 0.880 131 V HN 0.662 nan 8.190 nan 0.000 0.443 132 L N -0.752 120.345 121.223 -0.208 0.000 0.585 132 L HA -0.231 4.083 4.340 -0.044 0.000 0.356 132 L C 1.030 177.916 176.870 0.027 0.000 0.963 132 L CA 0.678 55.491 54.840 -0.044 0.000 1.223 132 L CB -0.946 41.130 42.059 0.029 0.000 0.011 132 L HN 0.694 nan 8.230 nan 0.000 0.091 133 Y N -0.540 119.725 120.300 -0.057 0.000 2.632 133 Y HA 0.025 4.549 4.550 -0.044 0.000 0.301 133 Y C 1.754 177.535 175.900 -0.199 0.000 1.172 133 Y CA 1.084 59.194 58.100 0.016 0.000 1.328 133 Y CB -0.702 37.771 38.460 0.022 0.000 1.016 133 Y HN 0.596 nan 8.280 nan 0.000 0.529 134 T N -3.319 110.709 114.554 -0.876 0.000 2.990 134 T HA 0.091 4.415 4.350 -0.044 0.000 0.250 134 T C 0.538 173.989 174.700 -2.082 0.000 1.041 134 T CA 0.125 61.164 62.100 -1.767 0.000 1.010 134 T CB -1.070 66.738 68.868 -1.767 0.000 1.003 134 T HN 0.572 nan 8.240 nan 0.000 0.499 135 F N 0.675 120.307 119.950 -0.531 0.000 2.783 135 F HA -0.209 4.292 4.527 -0.044 0.000 0.222 135 F C -0.858 174.789 175.800 -0.255 0.000 1.028 135 F CA -1.552 56.341 58.000 -0.179 0.000 0.862 135 F CB -3.026 36.141 39.000 0.277 0.000 0.744 135 F HN 0.281 nan 8.300 nan 0.000 0.850 136 Y N 1.194 121.440 120.300 -0.089 0.000 2.537 136 Y HA 0.389 4.913 4.550 -0.043 0.000 0.339 136 Y C -1.485 174.455 175.900 0.068 0.000 1.066 136 Y CA -2.276 55.769 58.100 -0.092 0.000 1.357 136 Y CB 0.218 38.599 38.460 -0.132 0.000 1.175 136 Y HN 0.094 nan 8.280 nan 0.000 0.525 137 P HA 0.016 nan 4.420 nan 0.000 0.269 137 P C -2.070 175.300 177.300 0.117 0.000 1.215 137 P CA -1.248 61.916 63.100 0.107 0.000 0.780 137 P CB 0.391 31.927 31.700 -0.273 0.000 0.898 138 P HA 0.096 nan 4.420 nan 0.000 0.253 138 P C -0.215 177.455 177.300 0.617 0.000 1.281 138 P CA 0.284 63.630 63.100 0.411 0.000 0.792 138 P CB 0.014 32.006 31.700 0.488 0.000 1.193 139 L N 0.579 122.101 121.223 0.499 0.000 2.500 139 L HA 0.075 4.388 4.340 -0.044 0.000 0.272 139 L C 0.952 178.258 176.870 0.726 0.000 1.149 139 L CA 0.305 55.481 54.840 0.560 0.000 0.897 139 L CB 0.001 42.298 42.059 0.397 0.000 1.178 139 L HN -0.111 nan 8.230 nan 0.000 0.473 140 K N 3.256 124.086 120.400 0.717 0.000 2.473 140 K HA 0.426 4.720 4.320 -0.044 0.000 0.246 140 K C 0.136 177.101 176.600 0.608 0.000 1.011 140 K CA -0.399 56.232 56.287 0.574 0.000 0.984 140 K CB 1.081 33.636 32.500 0.092 0.000 1.250 140 K HN 0.641 nan 8.250 nan 0.000 0.454 141 G N 1.228 110.385 108.800 0.596 0.000 2.557 141 G HA2 0.046 3.980 3.960 -0.044 0.000 0.292 141 G HA3 0.046 3.980 3.960 -0.044 0.000 0.292 141 G C -0.726 174.351 174.900 0.296 0.000 1.237 141 G CA -0.475 44.840 45.100 0.358 0.000 0.978 141 G HN 0.696 nan 8.290 nan 0.000 0.498 142 H N 0.308 119.435 119.070 0.096 0.000 2.871 142 H HA -0.060 4.470 4.556 -0.044 0.000 0.355 142 H C 1.470 176.823 175.328 0.041 0.000 1.092 142 H CA 0.179 56.262 56.048 0.057 0.000 1.420 142 H CB 0.525 30.248 29.762 -0.065 0.000 1.400 142 H HN 0.718 nan 8.280 nan 0.000 0.604 143 W N 3.680 124.749 121.300 -0.384 0.000 2.350 143 W HA -0.132 4.502 4.660 -0.044 0.000 0.289 143 W C 1.261 177.723 176.519 -0.095 0.000 1.215 143 W CA 0.901 58.108 57.345 -0.231 0.000 1.236 143 W CB -1.085 28.150 29.460 -0.374 0.000 1.130 143 W HN 0.559 nan 8.180 nan 0.000 0.541 144 A N 1.004 123.300 122.820 -0.873 0.000 1.968 144 A HA -0.077 4.217 4.320 -0.044 0.000 0.217 144 A C 1.893 179.328 177.584 -0.248 0.000 1.169 144 A CA 1.218 52.818 52.037 -0.727 0.000 0.638 144 A CB -1.293 17.165 19.000 -0.903 0.000 0.812 144 A HN 0.328 nan 8.150 nan 0.000 0.446 145 F N -0.225 119.542 119.950 -0.306 0.000 2.102 145 F HA -0.212 4.289 4.527 -0.043 0.000 0.298 145 F C 2.045 177.671 175.800 -0.290 0.000 1.105 145 F CA 1.699 59.509 58.000 -0.316 0.000 1.239 145 F CB -0.654 38.097 39.000 -0.416 0.000 0.991 145 F HN 0.318 nan 8.300 nan 0.000 0.474 146 Y N -0.289 119.713 120.300 -0.497 0.000 2.181 146 Y HA -0.224 4.299 4.550 -0.044 0.000 0.288 146 Y C 2.345 177.999 175.900 -0.411 0.000 1.146 146 Y CA 1.063 58.790 58.100 -0.622 0.000 1.164 146 Y CB -0.522 37.740 38.460 -0.330 0.000 0.982 146 Y HN 0.275 nan 8.280 nan 0.000 0.515 147 L N 0.035 121.215 121.223 -0.071 0.000 1.988 147 L HA -0.029 4.285 4.340 -0.044 0.000 0.207 147 L C 2.463 179.313 176.870 -0.034 0.000 1.071 147 L CA 2.239 57.083 54.840 0.005 0.000 0.744 147 L CB -1.243 40.926 42.059 0.183 0.000 0.893 147 L HN 0.152 nan 8.230 nan 0.000 0.433 148 G N -0.822 107.936 108.800 -0.070 0.000 2.476 148 G HA2 -0.334 3.600 3.960 -0.044 0.000 0.218 148 G HA3 -0.334 3.600 3.960 -0.044 0.000 0.218 148 G C 1.597 176.479 174.900 -0.030 0.000 1.164 148 G CA 1.077 46.155 45.100 -0.037 0.000 0.768 148 G HN 0.685 nan 8.290 nan 0.000 0.560 149 A N 0.516 123.232 122.820 -0.173 0.000 1.902 149 A HA 0.011 4.305 4.320 -0.044 0.000 0.217 149 A C 2.709 180.272 177.584 -0.034 0.000 1.181 149 A CA 2.257 54.199 52.037 -0.159 0.000 0.623 149 A CB -0.693 18.054 19.000 -0.421 0.000 0.818 149 A HN 0.320 nan 8.150 nan 0.000 0.443 150 S N -0.458 115.186 115.700 -0.094 0.000 2.359 150 S HA -0.159 4.285 4.470 -0.044 0.000 0.224 150 S C 1.928 176.524 174.600 -0.006 0.000 1.035 150 S CA 1.621 59.784 58.200 -0.063 0.000 1.018 150 S CB -0.497 62.653 63.200 -0.083 0.000 0.876 150 S HN 0.387 nan 8.310 nan 0.000 0.448 151 V N 0.988 120.925 119.914 0.038 0.000 2.307 151 V HA -0.146 3.948 4.120 -0.044 0.000 0.245 151 V C 1.825 177.992 176.094 0.123 0.000 1.045 151 V CA 1.826 64.166 62.300 0.068 0.000 1.024 151 V CB -0.832 31.045 31.823 0.089 0.000 0.651 151 V HN 0.491 nan 8.190 nan 0.000 0.449 152 F N 0.848 120.808 119.950 0.017 0.000 2.120 152 F HA -0.233 4.269 4.527 -0.042 0.000 0.300 152 F C 2.180 178.044 175.800 0.107 0.000 1.095 152 F CA 1.991 60.022 58.000 0.052 0.000 1.249 152 F CB -0.073 38.942 39.000 0.025 0.000 0.995 152 F HN -0.029 nan 8.300 nan 0.000 0.480 153 V N 0.166 120.292 119.914 0.353 0.000 2.809 153 V HA -0.234 3.860 4.120 -0.044 0.000 0.256 153 V C 2.149 178.348 176.094 0.175 0.000 1.080 153 V CA 1.338 63.822 62.300 0.306 0.000 1.102 153 V CB -0.447 31.517 31.823 0.236 0.000 0.705 153 V HN 0.353 nan 8.190 nan 0.000 0.475 154 L N -0.175 121.068 121.223 0.033 0.000 2.313 154 L HA -0.062 4.252 4.340 -0.044 0.000 0.214 154 L C 2.635 179.577 176.870 0.120 0.000 1.119 154 L CA 1.201 55.988 54.840 -0.089 0.000 0.809 154 L CB -0.410 41.543 42.059 -0.177 0.000 0.933 154 L HN 0.386 nan 8.230 nan 0.000 0.449 155 S N -0.268 115.509 115.700 0.128 0.000 2.407 155 S HA -0.263 4.181 4.470 -0.044 0.000 0.235 155 S C 2.167 176.918 174.600 0.251 0.000 1.036 155 S CA 2.193 60.488 58.200 0.159 0.000 1.013 155 S CB -0.365 62.859 63.200 0.041 0.000 0.820 155 S HN 0.658 nan 8.310 nan 0.000 0.476 156 T N -2.644 112.132 114.554 0.370 0.000 2.881 156 T HA -0.096 4.228 4.350 -0.044 0.000 0.270 156 T C 1.423 176.456 174.700 0.555 0.000 1.068 156 T CA 1.072 63.489 62.100 0.528 0.000 1.131 156 T CB -0.611 68.812 68.868 0.925 0.000 0.871 156 T HN 0.559 nan 8.240 nan 0.000 0.479 157 W N 1.294 122.745 121.300 0.251 0.000 2.418 157 W HA 0.169 4.802 4.660 -0.044 0.000 0.292 157 W C 2.508 179.100 176.519 0.122 0.000 1.213 157 W CA -0.448 57.022 57.345 0.208 0.000 1.283 157 W CB -1.006 28.573 29.460 0.200 0.000 1.119 157 W HN 0.124 nan 8.180 nan 0.000 0.542 158 V N -0.360 119.746 119.914 0.320 0.000 2.261 158 V HA -0.309 3.785 4.120 -0.044 0.000 0.246 158 V C 2.297 178.442 176.094 0.084 0.000 1.047 158 V CA 2.247 64.671 62.300 0.208 0.000 1.015 158 V CB -1.447 30.500 31.823 0.206 0.000 0.642 158 V HN 0.042 nan 8.190 nan 0.000 0.446 159 S N -0.104 115.567 115.700 -0.048 0.000 2.370 159 S HA -0.168 4.276 4.470 -0.044 0.000 0.226 159 S C 1.860 176.001 174.600 -0.766 0.000 1.033 159 S CA 1.843 59.778 58.200 -0.442 0.000 1.011 159 S CB -0.425 62.376 63.200 -0.666 0.000 0.852 159 S HN 0.495 nan 8.310 nan 0.000 0.457 160 I N -0.132 120.144 120.570 -0.491 0.000 2.099 160 I HA -0.263 3.881 4.170 -0.044 0.000 0.239 160 I C 2.200 178.207 176.117 -0.184 0.000 1.066 160 I CA 1.810 62.945 61.300 -0.274 0.000 1.324 160 I CB -0.488 37.518 38.000 0.011 0.000 1.037 160 I HN 0.292 nan 8.210 nan 0.000 0.401 161 Y N 1.428 121.630 120.300 -0.164 0.000 2.128 161 Y HA -0.293 4.232 4.550 -0.042 0.000 0.284 161 Y C 2.535 178.389 175.900 -0.078 0.000 1.154 161 Y CA 1.629 59.668 58.100 -0.102 0.000 1.149 161 Y CB -0.005 38.429 38.460 -0.043 0.000 0.976 161 Y HN 0.014 nan 8.280 nan 0.000 0.505 162 I N -0.589 119.947 120.570 -0.057 0.000 2.113 162 I HA -0.338 3.806 4.170 -0.044 0.000 0.242 162 I C 2.314 178.333 176.117 -0.163 0.000 1.064 162 I CA 1.629 62.873 61.300 -0.094 0.000 1.320 162 I CB -1.484 36.487 38.000 -0.048 0.000 1.028 162 I HN 0.185 nan 8.210 nan 0.000 0.406 163 V N 0.632 120.421 119.914 -0.208 0.000 2.453 163 V HA -0.195 3.899 4.120 -0.044 0.000 0.247 163 V C 2.565 178.624 176.094 -0.058 0.000 1.048 163 V CA 1.045 63.275 62.300 -0.117 0.000 1.049 163 V CB -0.418 31.336 31.823 -0.115 0.000 0.672 163 V HN 0.328 nan 8.190 nan 0.000 0.457 164 L N -0.003 121.142 121.223 -0.129 0.000 2.127 164 L HA -0.219 4.095 4.340 -0.044 0.000 0.211 164 L C 2.279 179.115 176.870 -0.057 0.000 1.089 164 L CA 1.794 56.594 54.840 -0.066 0.000 0.757 164 L CB -0.502 41.458 42.059 -0.165 0.000 0.899 164 L HN 0.388 nan 8.230 nan 0.000 0.434 165 D N -0.018 120.226 120.400 -0.260 0.000 2.097 165 D HA -0.138 4.476 4.640 -0.044 0.000 0.197 165 D C 2.253 178.523 176.300 -0.050 0.000 0.984 165 D CA 1.060 54.908 54.000 -0.253 0.000 0.826 165 D CB 0.031 40.613 40.800 -0.363 0.000 0.973 165 D HN 0.189 nan 8.370 nan 0.000 0.460 166 L N -0.942 120.286 121.223 0.008 0.000 2.141 166 L HA -0.047 4.267 4.340 -0.044 0.000 0.209 166 L C 2.192 179.170 176.870 0.180 0.000 1.094 166 L CA 0.650 55.540 54.840 0.084 0.000 0.763 166 L CB -0.610 41.492 42.059 0.071 0.000 0.908 166 L HN 0.220 nan 8.230 nan 0.000 0.437 167 W N 1.541 122.836 121.300 -0.008 0.000 2.354 167 W HA -0.135 4.497 4.660 -0.047 0.000 0.315 167 W C 2.809 179.378 176.519 0.083 0.000 1.206 167 W CA 1.198 58.563 57.345 0.033 0.000 1.290 167 W CB -0.209 29.241 29.460 -0.018 0.000 1.152 167 W HN -0.119 nan 8.180 nan 0.000 0.489 168 R N 0.105 120.582 120.500 -0.038 0.000 2.117 168 R HA -0.173 4.141 4.340 -0.044 0.000 0.243 168 R C 2.239 178.464 176.300 -0.125 0.000 1.143 168 R CA 1.869 57.851 56.100 -0.197 0.000 0.968 168 R CB -0.557 29.687 30.300 -0.093 0.000 0.863 168 R HN 0.298 nan 8.270 nan 0.000 0.444 169 R N -1.143 119.343 120.500 -0.024 0.000 2.073 169 R HA -0.149 4.165 4.340 -0.044 0.000 0.229 169 R C 1.965 178.284 176.300 0.032 0.000 1.120 169 R CA 1.391 57.493 56.100 0.004 0.000 0.967 169 R CB -0.290 30.033 30.300 0.037 0.000 0.862 169 R HN 0.285 nan 8.270 nan 0.000 0.436 170 W N 1.757 123.003 121.300 -0.091 0.000 2.467 170 W HA -0.075 4.550 4.660 -0.059 0.000 0.275 170 W C 1.630 178.070 176.519 -0.131 0.000 1.239 170 W CA 0.858 58.157 57.345 -0.077 0.000 1.266 170 W CB 0.299 29.746 29.460 -0.021 0.000 1.112 170 W HN -0.168 nan 8.180 nan 0.000 0.576 171 K N 0.188 120.595 120.400 0.011 0.000 2.147 171 K HA -0.114 4.180 4.320 -0.044 0.000 0.205 171 K C 2.010 178.487 176.600 -0.204 0.000 1.049 171 K CA 1.343 57.538 56.287 -0.154 0.000 0.936 171 K CB -0.744 31.519 32.500 -0.396 0.000 0.722 171 K HN 0.275 nan 8.250 nan 0.000 0.446 172 A N 1.250 123.958 122.820 -0.187 0.000 1.840 172 A HA -0.006 4.288 4.320 -0.044 0.000 0.214 172 A C 2.415 179.870 177.584 -0.215 0.000 1.198 172 A CA 1.771 53.707 52.037 -0.169 0.000 0.608 172 A CB -0.765 18.161 19.000 -0.123 0.000 0.839 172 A HN 0.254 nan 8.150 nan 0.000 0.443 173 A N 0.118 122.779 122.820 -0.266 0.000 1.892 173 A HA -0.165 4.129 4.320 -0.044 0.000 0.218 173 A C 1.031 178.372 177.584 -0.404 0.000 1.188 173 A CA 1.512 53.358 52.037 -0.318 0.000 0.631 173 A CB -0.497 18.290 19.000 -0.356 0.000 0.822 173 A HN 0.612 nan 8.150 nan 0.000 0.447 174 N N 0.730 119.066 118.700 -0.607 0.000 2.851 174 N HA 0.270 4.984 4.740 -0.044 0.000 0.248 174 N C -3.147 172.132 175.510 -0.385 0.000 1.221 174 N CA -1.056 51.644 53.050 -0.584 0.000 0.847 174 N CB 1.349 39.239 38.487 -0.994 0.000 1.150 174 N HN 0.292 nan 8.380 nan 0.000 0.507 175 P HA 0.151 nan 4.420 nan 0.000 0.280 175 P C 0.986 178.237 177.300 -0.083 0.000 1.244 175 P CA 0.626 63.643 63.100 -0.139 0.000 0.784 175 P CB 1.362 32.994 31.700 -0.113 0.000 0.913 176 G N 2.791 111.569 108.800 -0.037 0.000 2.320 176 G HA2 -0.260 3.674 3.960 -0.044 0.000 0.242 176 G HA3 -0.260 3.674 3.960 -0.044 0.000 0.242 176 G C 0.245 175.170 174.900 0.041 0.000 1.033 176 G CA -0.014 45.087 45.100 0.002 0.000 0.620 176 G HN 0.585 nan 8.290 nan 0.000 0.517 177 K N 1.022 121.447 120.400 0.041 0.000 2.350 177 K HA 0.468 4.762 4.320 -0.044 0.000 0.279 177 K C 0.863 177.624 176.600 0.268 0.000 1.027 177 K CA -0.388 55.973 56.287 0.124 0.000 0.969 177 K CB 1.578 34.132 32.500 0.090 0.000 0.954 177 K HN 0.104 nan 8.250 nan 0.000 0.474 178 V N 3.145 123.188 119.914 0.215 0.000 2.788 178 V HA -0.075 4.019 4.120 -0.044 0.000 0.307 178 V C 0.409 176.633 176.094 0.217 0.000 1.069 178 V CA 0.188 62.600 62.300 0.187 0.000 1.173 178 V CB 0.819 32.690 31.823 0.080 0.000 0.925 178 V HN 0.801 nan 8.190 nan 0.000 0.492 179 T N 7.281 121.934 114.554 0.166 0.000 2.853 179 T HA 0.170 4.494 4.350 -0.044 0.000 0.298 179 T C -2.210 172.387 174.700 -0.173 0.000 0.978 179 T CA -0.632 61.463 62.100 -0.009 0.000 1.152 179 T CB 0.425 69.446 68.868 0.254 0.000 0.914 179 T HN 0.541 nan 8.240 nan 0.000 0.539 180 P HA 0.034 nan 4.420 nan 0.000 0.265 180 P C 1.063 178.240 177.300 -0.205 0.000 1.187 180 P CA -0.409 62.497 63.100 -0.322 0.000 0.766 180 P CB 0.427 31.838 31.700 -0.480 0.000 0.820 181 L N 5.549 126.676 121.223 -0.160 0.000 1.965 181 L HA -0.266 4.048 4.340 -0.044 0.000 0.226 181 L C 2.054 178.855 176.870 -0.116 0.000 1.083 181 L CA 2.196 56.958 54.840 -0.130 0.000 0.790 181 L CB -1.206 40.784 42.059 -0.116 0.000 0.898 181 L HN 0.184 nan 8.230 nan 0.000 0.439 182 V N -0.448 119.406 119.914 -0.100 0.000 2.380 182 V HA -0.351 3.742 4.120 -0.044 0.000 0.251 182 V C 2.472 178.492 176.094 -0.122 0.000 1.063 182 V CA 2.268 64.516 62.300 -0.087 0.000 1.055 182 V CB -1.210 30.648 31.823 0.060 0.000 0.657 182 V HN 0.679 nan 8.190 nan 0.000 0.455 183 T N -0.881 113.595 114.554 -0.130 0.000 2.652 183 T HA -0.299 4.025 4.350 -0.044 0.000 0.267 183 T C 1.731 176.354 174.700 -0.129 0.000 1.039 183 T CA 2.307 64.330 62.100 -0.129 0.000 1.153 183 T CB -0.481 68.272 68.868 -0.193 0.000 0.863 183 T HN 0.585 nan 8.240 nan 0.000 0.428 184 Y N 1.566 121.733 120.300 -0.221 0.000 2.128 184 Y HA -0.193 4.329 4.550 -0.046 0.000 0.284 184 Y C 2.417 178.168 175.900 -0.248 0.000 1.154 184 Y CA 1.421 59.389 58.100 -0.221 0.000 1.149 184 Y CB -0.427 37.927 38.460 -0.176 0.000 0.976 184 Y HN 0.129 nan 8.280 nan 0.000 0.505 185 M N -0.498 118.966 119.600 -0.227 0.000 2.080 185 M HA -0.257 4.197 4.480 -0.044 0.000 0.260 185 M C 2.411 178.551 176.300 -0.266 0.000 1.068 185 M CA 1.984 56.953 55.300 -0.551 0.000 1.109 185 M CB -0.576 31.441 32.600 -0.971 0.000 1.342 185 M HN 0.440 nan 8.290 nan 0.000 0.405 186 A N -0.673 122.041 122.820 -0.175 0.000 2.067 186 A HA 0.007 4.301 4.320 -0.044 0.000 0.217 186 A C 2.176 179.850 177.584 0.151 0.000 1.156 186 A CA 0.801 52.843 52.037 0.008 0.000 0.683 186 A CB -0.602 18.424 19.000 0.045 0.000 0.808 186 A HN 0.294 nan 8.150 nan 0.000 0.455 187 V N 0.279 120.130 119.914 -0.104 0.000 2.255 187 V HA -0.214 3.880 4.120 -0.044 0.000 0.243 187 V C 2.711 178.678 176.094 -0.212 0.000 1.038 187 V CA 2.073 64.223 62.300 -0.250 0.000 1.008 187 V CB -0.839 30.550 31.823 -0.722 0.000 0.645 187 V HN 0.557 nan 8.190 nan 0.000 0.449 188 V N -1.832 117.904 119.914 -0.296 0.000 2.759 188 V HA -0.221 3.872 4.120 -0.044 0.000 0.256 188 V C 2.211 178.357 176.094 0.088 0.000 1.080 188 V CA 2.027 64.239 62.300 -0.148 0.000 1.101 188 V CB -1.274 30.427 31.823 -0.204 0.000 0.698 188 V HN 0.463 nan 8.190 nan 0.000 0.477 189 F N 0.708 120.662 119.950 0.007 0.000 2.113 189 F HA -0.023 4.478 4.527 -0.043 0.000 0.297 189 F C 1.922 177.720 175.800 -0.004 0.000 1.103 189 F CA 1.724 59.722 58.000 -0.003 0.000 1.248 189 F CB -0.311 38.615 39.000 -0.123 0.000 0.999 189 F HN 0.182 nan 8.300 nan 0.000 0.475 190 W N 0.265 121.678 121.300 0.188 0.000 2.518 190 W HA 0.027 4.660 4.660 -0.044 0.000 0.273 190 W C 2.104 178.663 176.519 0.067 0.000 1.247 190 W CA 0.372 57.800 57.345 0.137 0.000 1.288 190 W CB -0.270 29.303 29.460 0.189 0.000 1.107 190 W HN 0.037 nan 8.180 nan 0.000 0.586 191 L N -0.166 121.141 121.223 0.140 0.000 2.027 191 L HA -0.249 4.065 4.340 -0.044 0.000 0.206 191 L C 2.726 179.755 176.870 0.265 0.000 1.074 191 L CA 1.080 55.901 54.840 -0.033 0.000 0.745 191 L CB -0.802 41.036 42.059 -0.367 0.000 0.898 191 L HN 0.031 nan 8.230 nan 0.000 0.433 192 M N -0.581 119.145 119.600 0.210 0.000 2.080 192 M HA -0.320 4.133 4.480 -0.044 0.000 0.260 192 M C 2.280 178.695 176.300 0.192 0.000 1.068 192 M CA 2.101 57.524 55.300 0.206 0.000 1.109 192 M CB -0.835 31.838 32.600 0.123 0.000 1.342 192 M HN 0.523 nan 8.290 nan 0.000 0.405 193 W N 0.650 121.924 121.300 -0.043 0.000 2.358 193 W HA -0.316 4.317 4.660 -0.044 0.000 0.303 193 W C 2.122 178.699 176.519 0.097 0.000 1.208 193 W CA 1.482 58.788 57.345 -0.065 0.000 1.274 193 W CB -0.888 28.466 29.460 -0.178 0.000 1.138 193 W HN 0.325 nan 8.180 nan 0.000 0.515 194 F N 1.551 121.438 119.950 -0.105 0.000 2.069 194 F HA -0.278 4.224 4.527 -0.042 0.000 0.298 194 F C 2.254 177.966 175.800 -0.146 0.000 1.113 194 F CA 2.174 60.020 58.000 -0.257 0.000 1.214 194 F CB -0.955 37.911 39.000 -0.224 0.000 0.978 194 F HN -0.166 nan 8.300 nan 0.000 0.474 195 L N 0.059 121.263 121.223 -0.032 0.000 2.265 195 L HA -0.049 4.265 4.340 -0.044 0.000 0.215 195 L C 2.186 179.006 176.870 -0.084 0.000 1.117 195 L CA 1.587 56.372 54.840 -0.092 0.000 0.782 195 L CB -0.730 41.395 42.059 0.111 0.000 0.914 195 L HN 0.308 nan 8.230 nan 0.000 0.441 196 A N -1.914 120.820 122.820 -0.143 0.000 1.942 196 A HA -0.020 4.274 4.320 -0.044 0.000 0.209 196 A C 2.337 179.771 177.584 -0.251 0.000 1.214 196 A CA 0.755 52.749 52.037 -0.071 0.000 0.686 196 A CB -0.639 18.308 19.000 -0.087 0.000 0.871 196 A HN 0.457 nan 8.150 nan 0.000 0.460 197 S N 0.889 116.125 115.700 -0.773 0.000 2.419 197 S HA -0.168 4.275 4.470 -0.044 0.000 0.235 197 S C 1.802 176.117 174.600 -0.477 0.000 1.019 197 S CA 1.418 59.082 58.200 -0.893 0.000 0.982 197 S CB -0.937 61.641 63.200 -1.037 0.000 0.789 197 S HN 0.446 nan 8.310 nan 0.000 0.490 198 L N 1.644 122.635 121.223 -0.387 0.000 2.021 198 L HA -0.127 4.187 4.340 -0.044 0.000 0.215 198 L C 3.040 179.442 176.870 -0.779 0.000 1.074 198 L CA 1.452 56.026 54.840 -0.442 0.000 0.760 198 L CB -1.684 40.152 42.059 -0.372 0.000 0.889 198 L HN 0.530 nan 8.230 nan 0.000 0.433 199 G N 0.341 108.342 108.800 -1.332 0.000 2.529 199 G HA2 -0.330 3.604 3.960 -0.044 0.000 0.219 199 G HA3 -0.330 3.604 3.960 -0.044 0.000 0.219 199 G C 1.575 176.075 174.900 -0.667 0.000 1.177 199 G CA 1.246 45.430 45.100 -1.527 0.000 0.773 199 G HN 0.266 nan 8.290 nan 0.000 0.573 200 L N 0.355 121.293 121.223 -0.476 0.000 2.109 200 L HA 0.110 4.423 4.340 -0.044 0.000 0.207 200 L C 2.936 179.669 176.870 -0.228 0.000 1.086 200 L CA 1.065 55.740 54.840 -0.275 0.000 0.760 200 L CB -0.263 41.651 42.059 -0.241 0.000 0.910 200 L HN 0.081 nan 8.230 nan 0.000 0.437 201 V N -0.231 119.501 119.914 -0.303 0.000 2.255 201 V HA -0.336 3.758 4.120 -0.044 0.000 0.247 201 V C 2.499 178.460 176.094 -0.223 0.000 1.051 201 V CA 2.205 64.334 62.300 -0.284 0.000 1.018 201 V CB -0.535 31.076 31.823 -0.354 0.000 0.641 201 V HN 0.413 nan 8.190 nan 0.000 0.445 202 L N -0.303 120.766 121.223 -0.257 0.000 1.956 202 L HA -0.254 4.060 4.340 -0.044 0.000 0.216 202 L C 2.665 179.530 176.870 -0.008 0.000 1.073 202 L CA 2.304 57.049 54.840 -0.159 0.000 0.762 202 L CB -0.832 41.090 42.059 -0.229 0.000 0.889 202 L HN 0.381 nan 8.230 nan 0.000 0.433 203 E N 0.109 120.307 120.200 -0.004 0.000 2.147 203 E HA -0.302 4.021 4.350 -0.044 0.000 0.199 203 E C 2.088 178.750 176.600 0.103 0.000 1.005 203 E CA 1.541 58.019 56.400 0.131 0.000 0.810 203 E CB 0.030 29.743 29.700 0.022 0.000 0.736 203 E HN 0.509 nan 8.360 nan 0.000 0.460 204 A N 0.277 123.085 122.820 -0.019 0.000 1.854 204 A HA -0.087 4.207 4.320 -0.044 0.000 0.214 204 A C 2.422 179.966 177.584 -0.066 0.000 1.192 204 A CA 1.254 53.247 52.037 -0.073 0.000 0.611 204 A CB -0.640 18.291 19.000 -0.116 0.000 0.832 204 A HN 0.189 nan 8.150 nan 0.000 0.442 205 V N -0.039 119.829 119.914 -0.076 0.000 2.237 205 V HA -0.228 3.866 4.120 -0.044 0.000 0.245 205 V C 2.569 178.604 176.094 -0.099 0.000 1.046 205 V CA 2.048 64.302 62.300 -0.076 0.000 1.007 205 V CB -0.742 31.025 31.823 -0.093 0.000 0.638 205 V HN 0.542 nan 8.190 nan 0.000 0.445 206 L N -1.984 119.150 121.223 -0.149 0.000 2.156 206 L HA -0.076 4.238 4.340 -0.044 0.000 0.208 206 L C 2.001 178.526 176.870 -0.576 0.000 1.095 206 L CA 1.584 56.188 54.840 -0.392 0.000 0.770 206 L CB -0.159 41.576 42.059 -0.539 0.000 0.914 206 L HN 0.309 nan 8.230 nan 0.000 0.439 207 F N -2.534 117.389 119.950 -0.046 0.000 2.537 207 F HA 0.102 4.603 4.527 -0.044 0.000 0.275 207 F C 1.872 177.627 175.800 -0.074 0.000 0.947 207 F CA -0.114 57.845 58.000 -0.069 0.000 1.238 207 F CB -0.234 38.700 39.000 -0.110 0.000 1.071 207 F HN -0.267 nan 8.300 nan 0.000 0.749 208 L N 0.247 121.502 121.223 0.055 0.000 1.973 208 L HA -0.184 4.130 4.340 -0.044 0.000 0.208 208 L C 2.284 179.096 176.870 -0.096 0.000 1.073 208 L CA 1.479 56.252 54.840 -0.111 0.000 0.746 208 L CB -0.872 40.966 42.059 -0.368 0.000 0.891 208 L HN 0.136 nan 8.230 nan 0.000 0.433 209 L N -0.373 120.773 121.223 -0.129 0.000 2.012 209 L HA -0.159 4.155 4.340 -0.044 0.000 0.210 209 L C -0.221 176.604 176.870 -0.074 0.000 1.073 209 L CA 1.387 56.113 54.840 -0.190 0.000 0.748 209 L CB -2.167 39.852 42.059 -0.066 0.000 0.891 209 L HN 0.257 nan 8.230 nan 0.000 0.431 210 P HA -0.250 nan 4.420 nan 0.000 0.213 210 P C 1.347 178.754 177.300 0.179 0.000 1.170 210 P CA 1.586 64.781 63.100 0.159 0.000 0.898 210 P CB -0.305 31.442 31.700 0.079 0.000 0.787 211 W N 2.208 123.490 121.300 -0.031 0.000 2.304 211 W HA -0.257 4.377 4.660 -0.044 0.000 0.315 211 W C 2.583 179.084 176.519 -0.031 0.000 1.233 211 W CA 3.329 60.662 57.345 -0.020 0.000 1.261 211 W CB -1.245 28.202 29.460 -0.023 0.000 1.150 211 W HN 0.090 nan 8.180 nan 0.000 0.494 212 S N -1.411 114.234 115.700 -0.091 0.000 2.414 212 S HA -0.148 4.296 4.470 -0.044 0.000 0.227 212 S C 1.922 176.407 174.600 -0.191 0.000 1.022 212 S CA 1.151 59.200 58.200 -0.253 0.000 0.958 212 S CB -1.320 61.786 63.200 -0.156 0.000 0.797 212 S HN 0.313 nan 8.310 nan 0.000 0.493 213 F N 2.226 122.137 119.950 -0.065 0.000 2.084 213 F HA 0.245 4.746 4.527 -0.044 0.000 0.296 213 F C 2.426 178.130 175.800 -0.159 0.000 1.111 213 F CA 0.919 58.825 58.000 -0.158 0.000 1.224 213 F CB -0.228 38.684 39.000 -0.147 0.000 0.991 213 F HN 0.529 nan 8.300 nan 0.000 0.471 214 G N -1.627 107.223 108.800 0.084 0.000 3.288 214 G HA2 -0.114 3.820 3.960 -0.044 0.000 0.219 214 G HA3 -0.114 3.820 3.960 -0.044 0.000 0.219 214 G C 0.874 175.794 174.900 0.034 0.000 0.944 214 G CA -0.114 44.990 45.100 0.006 0.000 0.854 214 G HN 0.090 nan 8.290 nan 0.000 0.632 215 L N 0.579 121.849 121.223 0.078 0.000 2.083 215 L HA 0.076 4.390 4.340 -0.044 0.000 0.209 215 L C 1.586 178.499 176.870 0.071 0.000 1.083 215 L CA 2.372 57.250 54.840 0.063 0.000 0.752 215 L CB -1.012 41.094 42.059 0.079 0.000 0.899 215 L HN 0.445 nan 8.230 nan 0.000 0.433 216 V N -4.803 115.185 119.914 0.123 0.000 3.126 216 V HA 0.424 4.518 4.120 -0.044 0.000 0.314 216 V C 0.542 176.773 176.094 0.229 0.000 1.138 216 V CA -0.803 61.595 62.300 0.163 0.000 1.034 216 V CB 2.319 34.249 31.823 0.180 0.000 1.075 216 V HN -0.007 nan 8.190 nan 0.000 0.442 217 E N 0.980 121.324 120.200 0.241 0.000 2.490 217 E HA 0.333 4.657 4.350 -0.044 0.000 0.209 217 E C 0.633 177.489 176.600 0.426 0.000 0.971 217 E CA 0.901 57.432 56.400 0.219 0.000 0.988 217 E CB 1.570 31.332 29.700 0.104 0.000 1.029 217 E HN 0.991 nan 8.360 nan 0.000 0.496 218 G N 0.212 109.286 108.800 0.456 0.000 2.658 218 G HA2 0.559 4.493 3.960 -0.044 0.000 0.292 218 G HA3 0.559 4.493 3.960 -0.044 0.000 0.292 218 G C -1.235 173.643 174.900 -0.037 0.000 1.320 218 G CA -0.409 44.902 45.100 0.352 0.000 0.933 218 G HN -0.069 nan 8.290 nan 0.000 0.476 219 V N 0.588 120.330 119.914 -0.286 0.000 2.733 219 V HA 0.303 4.397 4.120 -0.044 0.000 0.306 219 V C -1.163 174.796 176.094 -0.225 0.000 1.084 219 V CA -0.871 61.182 62.300 -0.413 0.000 0.905 219 V CB 1.992 33.238 31.823 -0.962 0.000 1.010 219 V HN 0.817 nan 8.190 nan 0.000 0.424 220 D N 6.476 126.779 120.400 -0.162 0.000 2.346 220 D HA 0.178 4.792 4.640 -0.044 0.000 0.260 220 D C -1.637 174.534 176.300 -0.216 0.000 1.252 220 D CA -1.464 52.447 54.000 -0.148 0.000 0.895 220 D CB 2.127 42.850 40.800 -0.128 0.000 1.097 220 D HN 0.213 nan 8.370 nan 0.000 0.489 221 P HA -0.083 nan 4.420 nan 0.000 0.220 221 P C 1.597 178.821 177.300 -0.126 0.000 1.152 221 P CA 0.084 63.106 63.100 -0.129 0.000 0.812 221 P CB 0.311 31.969 31.700 -0.070 0.000 0.792 222 L N 0.802 121.948 121.223 -0.129 0.000 2.017 222 L HA -0.123 4.191 4.340 -0.044 0.000 0.208 222 L C 2.279 179.062 176.870 -0.146 0.000 1.073 222 L CA 1.888 56.654 54.840 -0.122 0.000 0.745 222 L CB -1.399 40.586 42.059 -0.123 0.000 0.894 222 L HN -0.073 nan 8.230 nan 0.000 0.432 223 V N -2.195 117.570 119.914 -0.248 0.000 2.548 223 V HA -0.033 4.061 4.120 -0.044 0.000 0.249 223 V C 2.474 178.369 176.094 -0.332 0.000 1.055 223 V CA 1.321 63.414 62.300 -0.345 0.000 1.065 223 V CB -1.514 29.954 31.823 -0.590 0.000 0.681 223 V HN 0.430 nan 8.190 nan 0.000 0.462 224 A N 2.146 124.757 122.820 -0.350 0.000 1.908 224 A HA -0.223 4.071 4.320 -0.044 0.000 0.218 224 A C 2.501 180.056 177.584 -0.047 0.000 1.181 224 A CA 2.359 54.243 52.037 -0.255 0.000 0.627 224 A CB -0.613 18.246 19.000 -0.234 0.000 0.818 224 A HN 0.811 nan 8.150 nan 0.000 0.445 225 R N -1.628 118.885 120.500 0.022 0.000 2.254 225 R HA 0.060 4.374 4.340 -0.044 0.000 0.195 225 R C 1.422 177.898 176.300 0.293 0.000 0.957 225 R CA 1.290 57.499 56.100 0.182 0.000 1.024 225 R CB -0.726 29.699 30.300 0.210 0.000 0.952 225 R HN 0.294 nan 8.270 nan 0.000 0.484 226 T N 2.144 116.810 114.554 0.188 0.000 2.770 226 T HA 0.025 4.349 4.350 -0.044 0.000 0.263 226 T C 1.882 176.783 174.700 0.335 0.000 1.039 226 T CA 1.184 63.470 62.100 0.311 0.000 1.142 226 T CB -0.126 68.868 68.868 0.211 0.000 0.868 226 T HN 0.109 nan 8.240 nan 0.000 0.435 227 L N -0.010 121.288 121.223 0.124 0.000 2.131 227 L HA -0.035 4.279 4.340 -0.044 0.000 0.210 227 L C 2.244 179.101 176.870 -0.022 0.000 1.092 227 L CA 1.184 56.020 54.840 -0.006 0.000 0.759 227 L CB -0.537 41.442 42.059 -0.133 0.000 0.903 227 L HN 0.209 nan 8.230 nan 0.000 0.435 228 F N -0.492 119.379 119.950 -0.132 0.000 2.146 228 F HA -0.207 4.294 4.527 -0.043 0.000 0.298 228 F C 1.907 177.498 175.800 -0.349 0.000 1.096 228 F CA 1.471 59.274 58.000 -0.328 0.000 1.275 228 F CB -0.207 38.471 39.000 -0.538 0.000 1.008 228 F HN -0.025 nan 8.300 nan 0.000 0.480 229 W N -0.824 120.609 121.300 0.221 0.000 2.770 229 W HA -0.071 4.562 4.660 -0.044 0.000 0.256 229 W C 2.175 178.777 176.519 0.137 0.000 1.291 229 W CA 0.235 57.645 57.345 0.108 0.000 1.396 229 W CB -0.623 28.935 29.460 0.163 0.000 1.114 229 W HN 0.230 nan 8.180 nan 0.000 0.637 230 W N 1.527 122.876 121.300 0.080 0.000 2.302 230 W HA -0.261 4.372 4.660 -0.044 0.000 0.320 230 W C 1.382 177.776 176.519 -0.209 0.000 1.241 230 W CA 2.703 59.884 57.345 -0.273 0.000 1.264 230 W CB -1.158 27.923 29.460 -0.632 0.000 1.154 230 W HN -0.222 nan 8.180 nan 0.000 0.483 231 T N -0.245 114.408 114.554 0.165 0.000 3.054 231 T HA 0.093 4.417 4.350 -0.044 0.000 0.259 231 T C 1.912 176.554 174.700 -0.097 0.000 1.092 231 T CA 1.017 63.104 62.100 -0.022 0.000 1.121 231 T CB -0.620 68.089 68.868 -0.265 0.000 0.912 231 T HN 0.274 nan 8.240 nan 0.000 0.489 232 G N 0.455 109.147 108.800 -0.180 0.000 2.448 232 G HA2 -0.238 3.696 3.960 -0.044 0.000 0.219 232 G HA3 -0.238 3.696 3.960 -0.044 0.000 0.219 232 G C 1.288 176.332 174.900 0.239 0.000 1.127 232 G CA 0.800 45.795 45.100 -0.174 0.000 0.766 232 G HN 0.544 nan 8.290 nan 0.000 0.552 233 H N 0.812 120.030 119.070 0.246 0.000 2.439 233 H HA 0.105 4.636 4.556 -0.043 0.000 0.299 233 H C -0.018 175.496 175.328 0.309 0.000 1.033 233 H CA 0.713 56.979 56.048 0.363 0.000 1.348 233 H CB 0.110 30.171 29.762 0.499 0.000 1.449 233 H HN 0.211 nan 8.280 nan 0.000 0.544 234 P HA -0.133 nan 4.420 nan 0.000 0.222 234 P C 1.688 179.059 177.300 0.118 0.000 1.147 234 P CA 1.103 64.312 63.100 0.182 0.000 0.790 234 P CB 0.170 31.966 31.700 0.161 0.000 0.780 235 I N 0.639 121.234 120.570 0.041 0.000 2.361 235 I HA -0.188 3.956 4.170 -0.044 0.000 0.251 235 I C 2.221 177.752 176.117 -0.977 0.000 1.133 235 I CA 1.083 62.304 61.300 -0.133 0.000 1.413 235 I CB -0.038 37.971 38.000 0.015 0.000 1.073 235 I HN -0.165 nan 8.210 nan 0.000 0.424 236 V N -1.650 117.598 119.914 -1.110 0.000 2.548 236 V HA -0.233 3.860 4.120 -0.044 0.000 0.249 236 V C 2.077 177.628 176.094 -0.904 0.000 1.055 236 V CA 1.238 62.603 62.300 -1.558 0.000 1.065 236 V CB -1.294 29.884 31.823 -1.074 0.000 0.681 236 V HN 0.407 nan 8.190 nan 0.000 0.462 237 Y N -0.319 119.666 120.300 -0.526 0.000 2.457 237 Y HA 0.134 4.657 4.550 -0.044 0.000 0.292 237 Y C 2.153 177.875 175.900 -0.297 0.000 1.125 237 Y CA 1.436 59.269 58.100 -0.445 0.000 1.254 237 Y CB -0.463 37.719 38.460 -0.464 0.000 1.012 237 Y HN 0.354 nan 8.280 nan 0.000 0.555 238 F N -0.707 119.070 119.950 -0.288 0.000 2.325 238 F HA -0.175 4.326 4.527 -0.044 0.000 0.299 238 F C 1.277 177.064 175.800 -0.021 0.000 1.090 238 F CA 0.996 58.830 58.000 -0.277 0.000 1.392 238 F CB -0.092 38.558 39.000 -0.584 0.000 1.053 238 F HN 0.003 nan 8.300 nan 0.000 0.521 239 W N -0.332 120.857 121.300 -0.184 0.000 2.523 239 W HA 0.064 4.697 4.660 -0.045 0.000 0.278 239 W C 1.970 178.352 176.519 -0.229 0.000 1.236 239 W CA 0.150 57.347 57.345 -0.247 0.000 1.306 239 W CB -1.358 28.021 29.460 -0.135 0.000 1.101 239 W HN 0.125 nan 8.180 nan 0.000 0.577 240 L N 0.392 121.572 121.223 -0.072 0.000 2.049 240 L HA -0.051 4.263 4.340 -0.044 0.000 0.203 240 L C 2.216 178.934 176.870 -0.253 0.000 1.074 240 L CA 1.550 56.261 54.840 -0.215 0.000 0.749 240 L CB -1.181 40.608 42.059 -0.449 0.000 0.907 240 L HN -0.243 nan 8.230 nan 0.000 0.439 241 L N 0.214 121.268 121.223 -0.282 0.000 2.043 241 L HA -0.148 4.166 4.340 -0.044 0.000 0.212 241 L C -0.398 176.454 176.870 -0.029 0.000 1.075 241 L CA 2.137 56.866 54.840 -0.186 0.000 0.752 241 L CB -2.242 39.753 42.059 -0.107 0.000 0.891 241 L HN 0.210 nan 8.230 nan 0.000 0.432 242 P HA -0.264 nan 4.420 nan 0.000 0.215 242 P C 1.621 178.975 177.300 0.091 0.000 1.163 242 P CA 2.253 65.237 63.100 -0.193 0.000 0.894 242 P CB -0.102 31.463 31.700 -0.226 0.000 0.791 243 A N -1.798 121.127 122.820 0.175 0.000 1.883 243 A HA -0.243 4.051 4.320 -0.044 0.000 0.217 243 A C 2.271 180.005 177.584 0.249 0.000 1.186 243 A CA 1.575 53.739 52.037 0.212 0.000 0.624 243 A CB -1.937 17.143 19.000 0.133 0.000 0.822 243 A HN 0.196 nan 8.150 nan 0.000 0.444 244 Y N -0.287 120.041 120.300 0.045 0.000 2.128 244 Y HA -0.238 4.286 4.550 -0.045 0.000 0.284 244 Y C 2.995 179.111 175.900 0.361 0.000 1.154 244 Y CA 0.673 58.856 58.100 0.140 0.000 1.149 244 Y CB -0.200 38.370 38.460 0.183 0.000 0.976 244 Y HN 0.409 nan 8.280 nan 0.000 0.505 245 A N 0.306 123.447 122.820 0.535 0.000 1.865 245 A HA -0.241 4.053 4.320 -0.044 0.000 0.217 245 A C 1.969 179.659 177.584 0.176 0.000 1.191 245 A CA 2.118 54.354 52.037 0.333 0.000 0.623 245 A CB -0.973 18.094 19.000 0.113 0.000 0.826 245 A HN 0.389 nan 8.150 nan 0.000 0.444 246 I N -0.053 120.595 120.570 0.130 0.000 2.163 246 I HA -0.238 3.905 4.170 -0.044 0.000 0.243 246 I C 2.310 178.428 176.117 0.001 0.000 1.085 246 I CA 1.142 62.484 61.300 0.071 0.000 1.347 246 I CB -0.513 37.611 38.000 0.206 0.000 1.044 246 I HN 0.315 nan 8.210 nan 0.000 0.408 247 I N -1.303 119.268 120.570 0.002 0.000 2.286 247 I HA -0.334 3.810 4.170 -0.044 0.000 0.248 247 I C 2.258 178.266 176.117 -0.182 0.000 1.115 247 I CA 1.500 62.713 61.300 -0.144 0.000 1.392 247 I CB -0.289 37.556 38.000 -0.257 0.000 1.065 247 I HN 0.201 nan 8.210 nan 0.000 0.418 248 Y N 0.294 120.563 120.300 -0.051 0.000 2.243 248 Y HA -0.196 4.327 4.550 -0.044 0.000 0.293 248 Y C 2.806 178.669 175.900 -0.062 0.000 1.124 248 Y CA 1.671 59.745 58.100 -0.043 0.000 1.159 248 Y CB -0.067 38.410 38.460 0.028 0.000 1.008 248 Y HN 0.238 nan 8.280 nan 0.000 0.527 249 T N -3.976 110.630 114.554 0.087 0.000 3.001 249 T HA 0.168 4.492 4.350 -0.044 0.000 0.251 249 T C 1.070 175.685 174.700 -0.142 0.000 1.040 249 T CA 0.350 62.456 62.100 0.009 0.000 0.985 249 T CB -0.030 68.856 68.868 0.030 0.000 1.011 249 T HN 0.106 nan 8.240 nan 0.000 0.509 250 I N -0.482 119.949 120.570 -0.231 0.000 4.197 250 I HA 0.388 4.532 4.170 -0.044 0.000 0.307 250 I C 1.698 177.622 176.117 -0.323 0.000 1.236 250 I CA 0.007 61.050 61.300 -0.428 0.000 1.321 250 I CB 0.053 37.587 38.000 -0.777 0.000 1.309 250 I HN 0.080 nan 8.210 nan 0.000 0.450 251 L N 2.307 123.401 121.223 -0.214 0.000 2.012 251 L HA -0.083 4.231 4.340 -0.044 0.000 0.210 251 L C -0.662 176.180 176.870 -0.047 0.000 1.073 251 L CA 2.541 57.303 54.840 -0.130 0.000 0.748 251 L CB -1.360 40.611 42.059 -0.146 0.000 0.891 251 L HN 0.105 nan 8.230 nan 0.000 0.431 252 P HA -0.201 nan 4.420 nan 0.000 0.215 252 P C 1.420 178.716 177.300 -0.007 0.000 1.153 252 P CA 1.427 64.523 63.100 -0.006 0.000 0.853 252 P CB -0.003 31.693 31.700 -0.008 0.000 0.788 253 K N 0.028 120.400 120.400 -0.047 0.000 2.057 253 K HA -0.169 4.125 4.320 -0.044 0.000 0.207 253 K C 2.218 178.775 176.600 -0.072 0.000 1.049 253 K CA 1.502 57.754 56.287 -0.059 0.000 0.931 253 K CB -0.724 31.721 32.500 -0.092 0.000 0.714 253 K HN 0.029 nan 8.250 nan 0.000 0.440 254 Q N -0.558 119.192 119.800 -0.083 0.000 2.170 254 Q HA -0.054 4.260 4.340 -0.044 0.000 0.203 254 Q C 1.897 177.879 176.000 -0.029 0.000 0.976 254 Q CA 1.414 57.190 55.803 -0.045 0.000 0.858 254 Q CB -0.111 28.616 28.738 -0.017 0.000 0.907 254 Q HN 0.455 nan 8.270 nan 0.000 0.433 255 A N 0.111 122.934 122.820 0.005 0.000 2.206 255 A HA 0.211 4.505 4.320 -0.044 0.000 0.211 255 A C 1.312 178.787 177.584 -0.182 0.000 1.158 255 A CA 0.889 52.824 52.037 -0.170 0.000 0.761 255 A CB -0.348 18.680 19.000 0.046 0.000 0.801 255 A HN 0.422 nan 8.150 nan 0.000 0.473 256 G N -1.841 106.895 108.800 -0.107 0.000 2.289 256 G HA2 0.174 4.108 3.960 -0.044 0.000 0.280 256 G HA3 0.174 4.108 3.960 -0.044 0.000 0.280 256 G C 0.508 175.372 174.900 -0.059 0.000 1.089 256 G CA 0.514 45.563 45.100 -0.086 0.000 0.939 256 G HN 1.538 nan 8.290 nan 0.000 0.499 257 G N -1.304 107.489 108.800 -0.010 0.000 2.947 257 G HA2 0.837 4.771 3.960 -0.044 0.000 0.293 257 G HA3 0.837 4.771 3.960 -0.044 0.000 0.293 257 G C -0.501 174.469 174.900 0.117 0.000 1.243 257 G CA -0.680 44.459 45.100 0.066 0.000 0.802 257 G HN 0.519 nan 8.290 nan 0.000 0.560 258 R N -1.561 119.065 120.500 0.209 0.000 2.869 258 R HA 0.556 4.870 4.340 -0.044 0.000 0.263 258 R C -1.591 174.708 176.300 -0.002 0.000 1.066 258 R CA -0.849 55.309 56.100 0.097 0.000 0.960 258 R CB 2.133 32.500 30.300 0.111 0.000 1.221 258 R HN 0.381 nan 8.270 nan 0.000 0.474 259 L N 2.193 123.389 121.223 -0.045 0.000 2.260 259 L HA 0.166 4.480 4.340 -0.044 0.000 0.289 259 L C 0.957 177.741 176.870 -0.144 0.000 1.057 259 L CA -0.064 54.737 54.840 -0.064 0.000 0.811 259 L CB 1.650 43.704 42.059 -0.009 0.000 1.184 259 L HN 0.681 nan 8.230 nan 0.000 0.429 260 V N 1.413 121.208 119.914 -0.197 0.000 2.626 260 V HA 0.062 4.156 4.120 -0.044 0.000 0.252 260 V C 0.902 176.885 176.094 -0.185 0.000 1.067 260 V CA 1.154 63.288 62.300 -0.277 0.000 1.081 260 V CB -0.759 30.873 31.823 -0.318 0.000 0.686 260 V HN 0.777 nan 8.190 nan 0.000 0.468 261 S N -0.807 114.824 115.700 -0.116 0.000 2.546 261 S HA 0.314 4.758 4.470 -0.044 0.000 0.272 261 S C 0.220 174.773 174.600 -0.079 0.000 1.140 261 S CA -0.111 58.036 58.200 -0.089 0.000 0.920 261 S CB 1.970 65.130 63.200 -0.066 0.000 1.083 261 S HN 0.510 nan 8.310 nan 0.000 0.476 262 D N 3.123 123.466 120.400 -0.095 0.000 2.201 262 D HA 0.104 4.718 4.640 -0.044 0.000 0.209 262 D C -1.132 175.081 176.300 -0.145 0.000 0.961 262 D CA 0.515 54.444 54.000 -0.118 0.000 0.861 262 D CB -0.524 40.207 40.800 -0.115 0.000 0.997 262 D HN 0.412 nan 8.370 nan 0.000 0.486 263 P HA -0.067 nan 4.420 nan 0.000 0.216 263 P C 1.769 179.001 177.300 -0.113 0.000 1.153 263 P CA 1.045 64.068 63.100 -0.128 0.000 0.848 263 P CB -0.089 31.556 31.700 -0.092 0.000 0.787 264 M N -0.861 118.693 119.600 -0.076 0.000 2.213 264 M HA -0.056 4.398 4.480 -0.044 0.000 0.263 264 M C 2.062 178.320 176.300 -0.069 0.000 1.062 264 M CA 1.591 56.868 55.300 -0.038 0.000 1.105 264 M CB -1.938 30.673 32.600 0.018 0.000 1.385 264 M HN -0.094 nan 8.290 nan 0.000 0.417 265 A N 0.160 122.874 122.820 -0.176 0.000 1.898 265 A HA -0.130 4.164 4.320 -0.044 0.000 0.216 265 A C 2.369 179.822 177.584 -0.219 0.000 1.181 265 A CA 1.331 53.089 52.037 -0.464 0.000 0.620 265 A CB -0.526 18.114 19.000 -0.601 0.000 0.819 265 A HN 0.429 nan 8.150 nan 0.000 0.442 266 R N -1.220 119.174 120.500 -0.176 0.000 2.115 266 R HA -0.062 4.252 4.340 -0.044 0.000 0.230 266 R C 2.002 178.307 176.300 0.009 0.000 1.111 266 R CA 1.216 57.247 56.100 -0.115 0.000 0.976 266 R CB -0.395 29.682 30.300 -0.372 0.000 0.870 266 R HN 0.462 nan 8.270 nan 0.000 0.445 267 L N 0.600 121.789 121.223 -0.057 0.000 2.093 267 L HA -0.024 4.289 4.340 -0.044 0.000 0.208 267 L C 2.132 178.966 176.870 -0.060 0.000 1.085 267 L CA 1.685 56.483 54.840 -0.070 0.000 0.755 267 L CB -0.726 41.281 42.059 -0.087 0.000 0.904 267 L HN 0.109 nan 8.230 nan 0.000 0.435 268 A N -0.451 122.357 122.820 -0.019 0.000 1.842 268 A HA -0.272 4.022 4.320 -0.044 0.000 0.217 268 A C 2.139 179.662 177.584 -0.101 0.000 1.206 268 A CA 2.279 54.264 52.037 -0.086 0.000 0.630 268 A CB -1.367 17.703 19.000 0.116 0.000 0.839 268 A HN 0.413 nan 8.150 nan 0.000 0.447 269 F N -0.655 119.353 119.950 0.097 0.000 2.202 269 F HA -0.154 4.348 4.527 -0.041 0.000 0.301 269 F C 2.063 177.939 175.800 0.127 0.000 1.082 269 F CA 1.446 59.603 58.000 0.262 0.000 1.313 269 F CB -0.516 38.610 39.000 0.211 0.000 1.024 269 F HN 0.277 nan 8.300 nan 0.000 0.495 270 L N -0.130 121.212 121.223 0.198 0.000 2.017 270 L HA -0.165 4.149 4.340 -0.044 0.000 0.208 270 L C 2.037 178.867 176.870 -0.067 0.000 1.073 270 L CA 1.759 56.608 54.840 0.015 0.000 0.745 270 L CB -0.719 41.267 42.059 -0.122 0.000 0.894 270 L HN 0.096 nan 8.230 nan 0.000 0.432 271 L N -1.604 119.532 121.223 -0.145 0.000 2.201 271 L HA -0.181 4.133 4.340 -0.044 0.000 0.212 271 L C 2.262 179.049 176.870 -0.138 0.000 1.105 271 L CA 1.176 55.901 54.840 -0.192 0.000 0.775 271 L CB -0.457 41.429 42.059 -0.288 0.000 0.913 271 L HN 0.237 nan 8.230 nan 0.000 0.440 272 F N -0.895 119.031 119.950 -0.039 0.000 2.128 272 F HA -0.244 4.256 4.527 -0.044 0.000 0.295 272 F C 2.355 178.128 175.800 -0.045 0.000 1.100 272 F CA 0.617 58.563 58.000 -0.089 0.000 1.260 272 F CB -0.203 38.722 39.000 -0.125 0.000 1.009 272 F HN 0.001 nan 8.300 nan 0.000 0.476 273 L N 0.236 121.585 121.223 0.209 0.000 2.013 273 L HA -0.247 4.067 4.340 -0.044 0.000 0.212 273 L C 2.004 178.951 176.870 0.128 0.000 1.073 273 L CA 1.777 56.714 54.840 0.161 0.000 0.753 273 L CB -0.709 41.441 42.059 0.153 0.000 0.890 273 L HN 0.055 nan 8.230 nan 0.000 0.432 274 L N -1.310 119.970 121.223 0.095 0.000 2.044 274 L HA -0.113 4.201 4.340 -0.044 0.000 0.205 274 L C 2.043 178.942 176.870 0.048 0.000 1.075 274 L CA 1.667 56.554 54.840 0.079 0.000 0.747 274 L CB -0.288 41.813 42.059 0.069 0.000 0.903 274 L HN 0.233 nan 8.230 nan 0.000 0.435 275 L N -2.402 118.848 121.223 0.045 0.000 2.766 275 L HA 0.154 4.468 4.340 -0.044 0.000 0.242 275 L C 1.857 178.738 176.870 0.019 0.000 1.136 275 L CA -0.044 54.818 54.840 0.035 0.000 0.933 275 L CB 0.162 42.256 42.059 0.058 0.000 1.241 275 L HN 0.004 nan 8.230 nan 0.000 0.522 276 S N -0.838 114.865 115.700 0.004 0.000 2.489 276 S HA -0.046 4.398 4.470 -0.044 0.000 0.228 276 S C 1.770 176.402 174.600 0.054 0.000 0.995 276 S CA 1.211 59.372 58.200 -0.064 0.000 0.934 276 S CB 0.077 63.190 63.200 -0.144 0.000 0.771 276 S HN 0.398 nan 8.310 nan 0.000 0.522 277 T N 1.702 116.256 114.554 0.001 0.000 3.046 277 T HA 0.085 4.409 4.350 -0.044 0.000 0.242 277 T C -1.845 172.791 174.700 -0.106 0.000 1.018 277 T CA 0.166 62.224 62.100 -0.070 0.000 1.131 277 T CB -0.695 68.065 68.868 -0.180 0.000 0.904 277 T HN 0.249 nan 8.240 nan 0.000 0.459 278 P HA 0.248 nan 4.420 nan 0.000 0.226 278 P C 0.485 177.626 177.300 -0.266 0.000 1.758 278 P CA 0.197 63.197 63.100 -0.167 0.000 0.896 278 P CB -0.398 31.172 31.700 -0.216 0.000 1.784 279 V N -4.419 115.466 119.914 -0.049 0.000 3.480 279 V HA 0.339 4.433 4.120 -0.044 0.000 0.263 279 V C 2.184 178.304 176.094 0.044 0.000 1.442 279 V CA 1.034 63.339 62.300 0.009 0.000 1.053 279 V CB -0.948 30.917 31.823 0.070 0.000 0.846 279 V HN 0.144 nan 8.190 nan 0.000 0.440 280 G N 0.433 109.265 108.800 0.053 0.000 2.743 280 G HA2 -0.263 3.671 3.960 -0.044 0.000 0.222 280 G HA3 -0.263 3.671 3.960 -0.044 0.000 0.222 280 G C 1.250 176.108 174.900 -0.070 0.000 1.085 280 G CA 1.381 46.504 45.100 0.037 0.000 0.716 280 G HN 0.598 nan 8.290 nan 0.000 0.604 281 F N 0.555 120.260 119.950 -0.409 0.000 2.604 281 F HA -0.037 4.465 4.527 -0.043 0.000 0.298 281 F C 2.594 177.832 175.800 -0.937 0.000 1.131 281 F CA 0.560 58.140 58.000 -0.699 0.000 1.457 281 F CB -0.010 38.351 39.000 -1.066 0.000 1.095 281 F HN 0.445 nan 8.300 nan 0.000 0.574 282 H N -1.687 117.005 119.070 -0.631 0.000 2.559 282 H HA -0.074 4.455 4.556 -0.044 0.000 0.273 282 H C 1.047 175.802 175.328 -0.955 0.000 1.000 282 H CA 0.852 56.205 56.048 -1.160 0.000 1.195 282 H CB -0.622 28.819 29.762 -0.535 0.000 1.368 282 H HN 0.445 nan 8.280 nan 0.000 0.592 283 H N 0.756 119.415 119.070 -0.686 0.000 2.562 283 H HA 0.117 4.647 4.556 -0.044 0.000 0.267 283 H C 0.589 175.588 175.328 -0.548 0.000 0.959 283 H CA 0.304 55.929 56.048 -0.705 0.000 1.204 283 H CB 0.680 29.502 29.762 -1.566 0.000 1.430 283 H HN 0.542 nan 8.280 nan 0.000 0.545 284 Q N 0.104 119.629 119.800 -0.459 0.000 2.241 284 Q HA 0.153 4.467 4.340 -0.044 0.000 0.296 284 Q C 0.465 176.211 176.000 -0.423 0.000 0.889 284 Q CA -0.339 55.250 55.803 -0.356 0.000 1.089 284 Q CB 0.288 28.860 28.738 -0.277 0.000 1.195 284 Q HN 0.333 nan 8.270 nan 0.000 0.451 285 F N -0.092 119.639 119.950 -0.366 0.000 2.325 285 F HA -0.104 4.397 4.527 -0.043 0.000 0.299 285 F C 2.059 177.758 175.800 -0.167 0.000 1.090 285 F CA 0.698 58.470 58.000 -0.381 0.000 1.392 285 F CB 0.373 39.059 39.000 -0.522 0.000 1.053 285 F HN 0.313 nan 8.300 nan 0.000 0.521 286 A N -1.182 121.587 122.820 -0.085 0.000 2.115 286 A HA 0.041 4.334 4.320 -0.044 0.000 0.211 286 A C 0.284 177.868 177.584 -0.001 0.000 1.169 286 A CA -0.074 51.986 52.037 0.039 0.000 0.787 286 A CB -0.340 18.573 19.000 -0.145 0.000 0.858 286 A HN 0.040 nan 8.150 nan 0.000 0.474 287 D N 1.931 122.282 120.400 -0.081 0.000 2.525 287 D HA 0.241 4.855 4.640 -0.044 0.000 0.235 287 D C -2.237 174.010 176.300 -0.088 0.000 1.137 287 D CA -0.250 53.693 54.000 -0.095 0.000 0.868 287 D CB 0.567 41.279 40.800 -0.148 0.000 1.180 287 D HN 0.260 nan 8.370 nan 0.000 0.465 288 P HA 0.293 nan 4.420 nan 0.000 0.284 288 P C 0.347 177.588 177.300 -0.098 0.000 1.253 288 P CA -0.566 62.492 63.100 -0.069 0.000 0.800 288 P CB 1.342 33.011 31.700 -0.052 0.000 0.961 289 G N 1.924 110.667 108.800 -0.096 0.000 2.164 289 G HA2 -0.113 3.821 3.960 -0.044 0.000 0.212 289 G HA3 -0.113 3.821 3.960 -0.044 0.000 0.212 289 G C -0.379 174.427 174.900 -0.157 0.000 1.031 289 G CA -0.503 44.529 45.100 -0.113 0.000 0.730 289 G HN 0.474 nan 8.290 nan 0.000 0.501 290 I N 0.456 120.922 120.570 -0.173 0.000 2.512 290 I HA 0.284 4.428 4.170 -0.044 0.000 0.287 290 I C -0.274 175.779 176.117 -0.105 0.000 1.069 290 I CA -1.436 59.723 61.300 -0.236 0.000 1.056 290 I CB 1.671 39.335 38.000 -0.560 0.000 1.229 290 I HN 0.103 nan 8.210 nan 0.000 0.429 291 D N 8.880 129.293 120.400 0.022 0.000 2.520 291 D HA 0.054 4.668 4.640 -0.044 0.000 0.243 291 D C -1.448 174.916 176.300 0.106 0.000 1.160 291 D CA -0.842 53.215 54.000 0.096 0.000 0.877 291 D CB 1.212 42.121 40.800 0.181 0.000 1.150 291 D HN 0.219 nan 8.370 nan 0.000 0.494 292 P HA -0.223 nan 4.420 nan 0.000 0.219 292 P C 1.133 178.576 177.300 0.237 0.000 1.153 292 P CA 1.598 64.853 63.100 0.258 0.000 0.865 292 P CB 0.045 31.874 31.700 0.214 0.000 0.788 293 T N -2.188 112.424 114.554 0.096 0.000 2.607 293 T HA -0.220 4.103 4.350 -0.044 0.000 0.267 293 T C 1.450 176.149 174.700 -0.002 0.000 1.049 293 T CA 1.595 63.682 62.100 -0.021 0.000 1.162 293 T CB -1.304 67.444 68.868 -0.200 0.000 0.863 293 T HN 0.236 nan 8.240 nan 0.000 0.424 294 W N 1.821 123.169 121.300 0.081 0.000 2.364 294 W HA -0.044 4.590 4.660 -0.044 0.000 0.281 294 W C 2.523 179.137 176.519 0.158 0.000 1.219 294 W CA 0.524 57.956 57.345 0.144 0.000 1.220 294 W CB -0.168 29.390 29.460 0.164 0.000 1.127 294 W HN 0.268 nan 8.180 nan 0.000 0.556 295 K N -0.726 119.778 120.400 0.172 0.000 2.062 295 K HA -0.162 4.131 4.320 -0.044 0.000 0.205 295 K C 1.960 178.578 176.600 0.029 0.000 1.051 295 K CA 1.430 57.665 56.287 -0.087 0.000 0.941 295 K CB -0.421 31.772 32.500 -0.512 0.000 0.719 295 K HN 0.034 nan 8.250 nan 0.000 0.440 296 M N 0.734 120.452 119.600 0.196 0.000 2.296 296 M HA -0.058 4.396 4.480 -0.044 0.000 0.265 296 M C 1.428 177.816 176.300 0.146 0.000 1.064 296 M CA 1.268 56.736 55.300 0.279 0.000 1.109 296 M CB 0.072 32.843 32.600 0.286 0.000 1.396 296 M HN -0.013 nan 8.290 nan 0.000 0.430 297 I N -0.630 120.021 120.570 0.136 0.000 2.233 297 I HA -0.217 3.927 4.170 -0.044 0.000 0.243 297 I C 2.005 178.164 176.117 0.069 0.000 1.093 297 I CA 1.550 62.895 61.300 0.074 0.000 1.380 297 I CB -0.969 37.083 38.000 0.086 0.000 1.067 297 I HN 0.285 nan 8.210 nan 0.000 0.413 298 H N -1.209 117.894 119.070 0.054 0.000 2.495 298 H HA -0.012 4.518 4.556 -0.044 0.000 0.287 298 H C 2.465 177.815 175.328 0.036 0.000 1.033 298 H CA 1.323 57.370 56.048 -0.002 0.000 1.307 298 H CB -0.099 29.638 29.762 -0.041 0.000 1.401 298 H HN 0.184 nan 8.280 nan 0.000 0.555 299 S N -0.617 115.209 115.700 0.210 0.000 2.368 299 S HA -0.099 4.345 4.470 -0.044 0.000 0.224 299 S C 2.241 176.887 174.600 0.076 0.000 1.029 299 S CA 0.987 59.324 58.200 0.228 0.000 0.988 299 S CB -0.353 63.011 63.200 0.272 0.000 0.838 299 S HN 0.208 nan 8.310 nan 0.000 0.462 300 V N 1.915 121.817 119.914 -0.020 0.000 2.453 300 V HA -0.050 4.043 4.120 -0.044 0.000 0.247 300 V C 2.302 178.204 176.094 -0.320 0.000 1.048 300 V CA 1.419 63.609 62.300 -0.184 0.000 1.049 300 V CB -0.551 31.109 31.823 -0.272 0.000 0.672 300 V HN 0.457 nan 8.190 nan 0.000 0.457 301 L N -0.284 120.793 121.223 -0.242 0.000 2.141 301 L HA -0.156 4.157 4.340 -0.044 0.000 0.209 301 L C 2.549 179.425 176.870 0.011 0.000 1.094 301 L CA 1.756 56.493 54.840 -0.172 0.000 0.763 301 L CB -0.759 41.190 42.059 -0.183 0.000 0.908 301 L HN 0.380 nan 8.230 nan 0.000 0.437 302 T N 0.040 114.611 114.554 0.029 0.000 2.821 302 T HA -0.103 4.221 4.350 -0.044 0.000 0.267 302 T C 1.908 176.666 174.700 0.097 0.000 1.046 302 T CA 1.006 63.134 62.100 0.047 0.000 1.139 302 T CB -0.160 68.676 68.868 -0.054 0.000 0.871 302 T HN 0.205 nan 8.240 nan 0.000 0.454 303 L N -0.374 120.912 121.223 0.105 0.000 2.141 303 L HA 0.070 4.383 4.340 -0.044 0.000 0.209 303 L C 2.246 179.304 176.870 0.315 0.000 1.094 303 L CA 1.184 56.127 54.840 0.173 0.000 0.763 303 L CB -0.651 41.497 42.059 0.148 0.000 0.908 303 L HN 0.247 nan 8.230 nan 0.000 0.437 304 F N -0.924 119.047 119.950 0.035 0.000 2.084 304 F HA -0.226 4.275 4.527 -0.044 0.000 0.296 304 F C 2.479 178.292 175.800 0.022 0.000 1.111 304 F CA 0.773 58.785 58.000 0.020 0.000 1.224 304 F CB -0.152 38.851 39.000 0.004 0.000 0.991 304 F HN -0.216 nan 8.300 nan 0.000 0.471 305 V N 0.063 120.115 119.914 0.230 0.000 3.186 305 V HA -0.223 3.871 4.120 -0.044 0.000 0.270 305 V C 2.002 178.230 176.094 0.225 0.000 1.149 305 V CA 1.403 63.795 62.300 0.153 0.000 1.160 305 V CB -0.562 31.329 31.823 0.114 0.000 0.758 305 V HN 0.335 nan 8.190 nan 0.000 0.516 306 A N -1.045 121.912 122.820 0.228 0.000 2.067 306 A HA -0.026 4.267 4.320 -0.044 0.000 0.217 306 A C 2.228 179.922 177.584 0.183 0.000 1.156 306 A CA 1.342 53.526 52.037 0.246 0.000 0.683 306 A CB -0.240 18.883 19.000 0.205 0.000 0.808 306 A HN 0.375 nan 8.150 nan 0.000 0.455 307 V N 0.847 120.817 119.914 0.093 0.000 2.255 307 V HA -0.170 3.923 4.120 -0.044 0.000 0.247 307 V C -0.140 175.957 176.094 0.005 0.000 1.051 307 V CA 2.578 64.888 62.300 0.017 0.000 1.018 307 V CB -1.514 30.254 31.823 -0.092 0.000 0.641 307 V HN 0.355 nan 8.190 nan 0.000 0.445 308 P HA -0.144 nan 4.420 nan 0.000 0.217 308 P C 1.984 179.342 177.300 0.097 0.000 1.151 308 P CA 1.866 64.837 63.100 -0.216 0.000 0.849 308 P CB -0.076 31.069 31.700 -0.923 0.000 0.787 309 S N -1.105 114.781 115.700 0.311 0.000 2.371 309 S HA -0.041 4.402 4.470 -0.044 0.000 0.224 309 S C 1.805 176.612 174.600 0.345 0.000 1.029 309 S CA 0.875 59.385 58.200 0.516 0.000 0.978 309 S CB -1.009 62.590 63.200 0.664 0.000 0.833 309 S HN 0.098 nan 8.310 nan 0.000 0.466 310 L N 0.944 122.316 121.223 0.249 0.000 2.042 310 L HA -0.180 4.134 4.340 -0.044 0.000 0.210 310 L C 2.524 179.496 176.870 0.170 0.000 1.076 310 L CA 1.254 56.206 54.840 0.185 0.000 0.749 310 L CB -0.550 41.583 42.059 0.123 0.000 0.893 310 L HN 0.353 nan 8.230 nan 0.000 0.432 311 M N -0.939 118.749 119.600 0.147 0.000 2.080 311 M HA -0.209 4.245 4.480 -0.044 0.000 0.260 311 M C 2.335 178.759 176.300 0.205 0.000 1.068 311 M CA 2.157 57.553 55.300 0.160 0.000 1.109 311 M CB -0.682 31.979 32.600 0.102 0.000 1.342 311 M HN 0.239 nan 8.290 nan 0.000 0.405 312 T N 0.780 115.456 114.554 0.204 0.000 2.720 312 T HA -0.141 4.182 4.350 -0.044 0.000 0.268 312 T C 1.840 176.536 174.700 -0.006 0.000 1.037 312 T CA 1.548 63.700 62.100 0.087 0.000 1.144 312 T CB -0.440 68.398 68.868 -0.050 0.000 0.864 312 T HN 0.526 nan 8.240 nan 0.000 0.444 313 A N 0.250 123.135 122.820 0.107 0.000 2.024 313 A HA -0.031 4.263 4.320 -0.044 0.000 0.220 313 A C 1.986 179.676 177.584 0.176 0.000 1.164 313 A CA 1.256 53.372 52.037 0.131 0.000 0.643 313 A CB -0.807 18.313 19.000 0.201 0.000 0.806 313 A HN 0.586 nan 8.150 nan 0.000 0.451 314 F N -0.010 119.954 119.950 0.023 0.000 2.374 314 F HA -0.025 4.476 4.527 -0.043 0.000 0.291 314 F C 2.427 178.219 175.800 -0.012 0.000 1.084 314 F CA 1.475 59.482 58.000 0.012 0.000 1.413 314 F CB 0.202 39.214 39.000 0.020 0.000 1.099 314 F HN 0.195 nan 8.300 nan 0.000 0.534 315 T N -0.163 114.367 114.554 -0.041 0.000 2.777 315 T HA -0.128 4.196 4.350 -0.044 0.000 0.266 315 T C 2.003 176.594 174.700 -0.182 0.000 1.040 315 T CA 1.485 63.514 62.100 -0.118 0.000 1.141 315 T CB -0.450 68.484 68.868 0.110 0.000 0.868 315 T HN 0.069 nan 8.240 nan 0.000 0.444 316 V N 1.556 121.355 119.914 -0.192 0.000 2.453 316 V HA -0.033 4.061 4.120 -0.044 0.000 0.247 316 V C 2.889 178.886 176.094 -0.161 0.000 1.048 316 V CA 1.403 63.568 62.300 -0.225 0.000 1.049 316 V CB -1.110 30.517 31.823 -0.327 0.000 0.672 316 V HN 0.505 nan 8.190 nan 0.000 0.457 317 A N 0.148 122.890 122.820 -0.130 0.000 1.902 317 A HA -0.092 4.202 4.320 -0.044 0.000 0.217 317 A C 2.414 179.834 177.584 -0.274 0.000 1.181 317 A CA 2.037 54.016 52.037 -0.097 0.000 0.623 317 A CB -0.704 18.308 19.000 0.020 0.000 0.818 317 A HN 0.538 nan 8.150 nan 0.000 0.443 318 A N -0.580 122.019 122.820 -0.368 0.000 1.858 318 A HA -0.066 4.228 4.320 -0.044 0.000 0.216 318 A C 2.441 179.861 177.584 -0.273 0.000 1.190 318 A CA 2.030 53.817 52.037 -0.416 0.000 0.617 318 A CB -1.086 17.575 19.000 -0.566 0.000 0.827 318 A HN 0.439 nan 8.150 nan 0.000 0.443 319 S N -0.058 115.515 115.700 -0.211 0.000 2.368 319 S HA -0.213 4.231 4.470 -0.044 0.000 0.226 319 S C 1.870 176.457 174.600 -0.022 0.000 1.044 319 S CA 1.743 59.887 58.200 -0.092 0.000 1.062 319 S CB -0.598 62.548 63.200 -0.089 0.000 0.931 319 S HN 0.483 nan 8.310 nan 0.000 0.440 320 L N 0.945 122.128 121.223 -0.066 0.000 2.012 320 L HA -0.197 4.117 4.340 -0.044 0.000 0.210 320 L C 2.746 179.555 176.870 -0.102 0.000 1.073 320 L CA 1.734 56.588 54.840 0.023 0.000 0.748 320 L CB -0.560 41.589 42.059 0.150 0.000 0.891 320 L HN 0.451 nan 8.230 nan 0.000 0.431 321 E N 0.156 120.001 120.200 -0.593 0.000 2.012 321 E HA -0.316 4.008 4.350 -0.044 0.000 0.197 321 E C 2.191 178.599 176.600 -0.320 0.000 1.007 321 E CA 1.789 57.580 56.400 -1.016 0.000 0.816 321 E CB -0.299 28.643 29.700 -1.264 0.000 0.762 321 E HN 0.341 nan 8.360 nan 0.000 0.451 322 F N 1.092 120.847 119.950 -0.326 0.000 2.147 322 F HA -0.305 4.196 4.527 -0.044 0.000 0.301 322 F C 1.996 177.735 175.800 -0.103 0.000 1.084 322 F CA 1.908 59.798 58.000 -0.182 0.000 1.268 322 F CB -0.362 38.537 39.000 -0.168 0.000 1.009 322 F HN 0.154 nan 8.300 nan 0.000 0.486 323 A N 0.386 123.180 122.820 -0.044 0.000 1.845 323 A HA -0.040 4.253 4.320 -0.044 0.000 0.215 323 A C 2.527 180.051 177.584 -0.101 0.000 1.195 323 A CA 1.632 53.610 52.037 -0.098 0.000 0.616 323 A CB -1.842 17.158 19.000 0.001 0.000 0.832 323 A HN 0.504 nan 8.150 nan 0.000 0.443 324 G N -0.535 108.286 108.800 0.034 0.000 2.503 324 G HA2 -0.293 3.641 3.960 -0.044 0.000 0.221 324 G HA3 -0.293 3.641 3.960 -0.044 0.000 0.221 324 G C 1.724 176.667 174.900 0.073 0.000 1.131 324 G CA 1.019 46.205 45.100 0.142 0.000 0.756 324 G HN 0.436 nan 8.290 nan 0.000 0.572 325 R N -0.493 120.000 120.500 -0.012 0.000 2.080 325 R HA -0.033 4.281 4.340 -0.044 0.000 0.236 325 R C 2.586 178.807 176.300 -0.132 0.000 1.137 325 R CA 0.949 57.007 56.100 -0.069 0.000 0.943 325 R CB -0.992 29.219 30.300 -0.147 0.000 0.846 325 R HN 0.328 nan 8.270 nan 0.000 0.431 326 L N 0.820 121.892 121.223 -0.252 0.000 2.079 326 L HA -0.140 4.174 4.340 -0.044 0.000 0.210 326 L C 2.132 178.926 176.870 -0.128 0.000 1.081 326 L CA 1.618 56.318 54.840 -0.233 0.000 0.752 326 L CB -0.518 41.348 42.059 -0.321 0.000 0.896 326 L HN 0.077 nan 8.230 nan 0.000 0.433 327 R N -0.656 119.785 120.500 -0.097 0.000 2.335 327 R HA 0.202 4.516 4.340 -0.044 0.000 0.223 327 R C 0.630 176.914 176.300 -0.027 0.000 0.940 327 R CA 0.646 56.709 56.100 -0.060 0.000 1.086 327 R CB -0.116 30.146 30.300 -0.064 0.000 1.073 327 R HN 0.462 nan 8.270 nan 0.000 0.504 328 G N 0.253 109.040 108.800 -0.021 0.000 2.173 328 G HA2 -0.194 3.740 3.960 -0.044 0.000 0.174 328 G HA3 -0.194 3.740 3.960 -0.044 0.000 0.174 328 G C 0.329 175.251 174.900 0.036 0.000 1.025 328 G CA -0.386 44.715 45.100 0.002 0.000 0.706 328 G HN 0.471 nan 8.290 nan 0.000 0.499 329 G N -0.537 108.299 108.800 0.060 0.000 2.321 329 G HA2 0.422 4.356 3.960 -0.044 0.000 0.237 329 G HA3 0.422 4.356 3.960 -0.044 0.000 0.237 329 G C 0.791 175.755 174.900 0.107 0.000 1.282 329 G CA 0.703 45.886 45.100 0.137 0.000 0.886 329 G HN 0.694 nan 8.290 nan 0.000 0.528 330 R N 2.064 122.634 120.500 0.117 0.000 1.835 330 R HA 0.416 4.730 4.340 -0.044 0.000 0.162 330 R C 1.755 178.099 176.300 0.073 0.000 1.911 330 R CA 0.254 56.397 56.100 0.072 0.000 1.491 330 R CB -0.266 30.065 30.300 0.051 0.000 1.166 330 R HN 0.581 nan 8.270 nan 0.000 0.478 331 G N 0.209 109.045 108.800 0.059 0.000 3.310 331 G HA2 0.213 4.147 3.960 -0.044 0.000 0.176 331 G HA3 0.213 4.147 3.960 -0.044 0.000 0.176 331 G C 0.486 175.421 174.900 0.058 0.000 1.307 331 G CA -0.429 44.688 45.100 0.029 0.000 0.935 331 G HN 0.114 nan 8.290 nan 0.000 0.628 332 L N -0.971 120.195 121.223 -0.095 0.000 2.027 332 L HA 0.206 4.520 4.340 -0.044 0.000 0.206 332 L C 2.019 178.839 176.870 -0.083 0.000 1.074 332 L CA 1.748 56.503 54.840 -0.141 0.000 0.745 332 L CB -0.264 41.502 42.059 -0.488 0.000 0.898 332 L HN 0.332 nan 8.230 nan 0.000 0.433 333 F N -1.055 118.873 119.950 -0.036 0.000 2.664 333 F HA 0.373 4.874 4.527 -0.044 0.000 0.303 333 F C 2.132 177.768 175.800 -0.273 0.000 1.092 333 F CA -0.061 57.796 58.000 -0.238 0.000 1.305 333 F CB -1.414 37.496 39.000 -0.150 0.000 1.054 333 F HN 0.022 nan 8.300 nan 0.000 0.565 334 G N 1.055 109.854 108.800 -0.000 0.000 2.422 334 G HA2 -0.232 3.702 3.960 -0.044 0.000 0.218 334 G HA3 -0.232 3.702 3.960 -0.044 0.000 0.218 334 G C 1.427 176.370 174.900 0.071 0.000 1.140 334 G CA 0.670 45.796 45.100 0.042 0.000 0.775 334 G HN 0.604 nan 8.290 nan 0.000 0.545 335 W N 0.455 121.823 121.300 0.112 0.000 2.584 335 W HA 0.192 4.825 4.660 -0.044 0.000 0.264 335 W C 1.458 178.058 176.519 0.135 0.000 1.264 335 W CA -0.055 57.344 57.345 0.091 0.000 1.306 335 W CB -0.613 28.890 29.460 0.071 0.000 1.110 335 W HN 0.136 nan 8.180 nan 0.000 0.606 336 I N 1.941 122.196 120.570 -0.526 0.000 2.202 336 I HA -0.200 3.943 4.170 -0.044 0.000 0.242 336 I C 2.752 178.989 176.117 0.201 0.000 1.091 336 I CA 1.648 62.751 61.300 -0.328 0.000 1.368 336 I CB -1.025 36.675 38.000 -0.501 0.000 1.058 336 I HN -0.178 nan 8.210 nan 0.000 0.410 337 R N 1.316 121.895 120.500 0.131 0.000 2.285 337 R HA 0.032 4.346 4.340 -0.044 0.000 0.213 337 R C 1.959 178.380 176.300 0.202 0.000 1.068 337 R CA 1.179 57.408 56.100 0.215 0.000 1.004 337 R CB -0.529 29.817 30.300 0.077 0.000 0.873 337 R HN 0.371 nan 8.270 nan 0.000 0.467 338 A N 0.182 123.085 122.820 0.138 0.000 2.014 338 A HA 0.098 4.392 4.320 -0.044 0.000 0.218 338 A C 0.310 177.888 177.584 -0.010 0.000 1.163 338 A CA 0.290 52.373 52.037 0.076 0.000 0.652 338 A CB -0.238 18.816 19.000 0.091 0.000 0.808 338 A HN 0.152 nan 8.150 nan 0.000 0.449 339 L N 0.418 121.607 121.223 -0.057 0.000 2.483 339 L HA 0.184 4.497 4.340 -0.044 0.000 0.276 339 L C -2.054 174.450 176.870 -0.610 0.000 1.213 339 L CA -1.863 52.715 54.840 -0.435 0.000 0.843 339 L CB -0.450 41.275 42.059 -0.557 0.000 1.107 339 L HN 0.106 nan 8.230 nan 0.000 0.487 340 P HA -0.021 nan 4.420 nan 0.000 0.249 340 P C 0.212 177.281 177.300 -0.386 0.000 1.737 340 P CA -0.024 62.769 63.100 -0.512 0.000 1.128 340 P CB -0.477 30.942 31.700 -0.470 0.000 1.942 341 W N 1.693 122.952 121.300 -0.067 0.000 2.848 341 W HA -0.062 4.572 4.660 -0.042 0.000 0.241 341 W C 1.615 178.208 176.519 0.123 0.000 1.289 341 W CA 0.365 57.780 57.345 0.117 0.000 1.396 341 W CB -0.180 29.370 29.460 0.151 0.000 1.138 341 W HN 0.341 nan 8.180 nan 0.000 0.677 342 D N -1.094 119.431 120.400 0.209 0.000 2.338 342 D HA -0.056 4.558 4.640 -0.044 0.000 0.208 342 D C 0.400 176.762 176.300 0.104 0.000 0.997 342 D CA 0.179 54.270 54.000 0.152 0.000 0.880 342 D CB -0.524 40.332 40.800 0.093 0.000 0.980 342 D HN 0.005 nan 8.370 nan 0.000 0.509 343 N N 2.318 121.065 118.700 0.078 0.000 2.408 343 N HA 0.073 4.787 4.740 -0.044 0.000 0.257 343 N C -1.683 173.880 175.510 0.088 0.000 1.064 343 N CA -1.894 51.196 53.050 0.066 0.000 0.952 343 N CB 1.706 40.224 38.487 0.053 0.000 1.093 343 N HN -0.118 nan 8.380 nan 0.000 0.490 344 P HA 0.006 nan 4.420 nan 0.000 0.231 344 P C 0.558 177.848 177.300 -0.016 0.000 1.168 344 P CA 0.467 63.506 63.100 -0.101 0.000 0.779 344 P CB 0.258 31.680 31.700 -0.464 0.000 0.844 345 A N -0.888 121.996 122.820 0.106 0.000 2.066 345 A HA -0.077 4.217 4.320 -0.044 0.000 0.218 345 A C 1.920 179.614 177.584 0.185 0.000 1.157 345 A CA 0.683 52.881 52.037 0.269 0.000 0.670 345 A CB -1.475 17.809 19.000 0.472 0.000 0.804 345 A HN 0.195 nan 8.150 nan 0.000 0.453 346 F N -0.016 119.920 119.950 -0.023 0.000 2.220 346 F HA -0.005 4.495 4.527 -0.045 0.000 0.290 346 F C 2.061 177.756 175.800 -0.174 0.000 1.080 346 F CA 1.455 59.381 58.000 -0.123 0.000 1.318 346 F CB -0.104 38.782 39.000 -0.191 0.000 1.063 346 F HN -0.018 nan 8.300 nan 0.000 0.498 347 V N 1.096 120.997 119.914 -0.022 0.000 2.392 347 V HA -0.304 3.790 4.120 -0.044 0.000 0.249 347 V C 2.735 178.669 176.094 -0.267 0.000 1.059 347 V CA 1.796 64.035 62.300 -0.100 0.000 1.051 347 V CB -1.648 30.282 31.823 0.178 0.000 0.658 347 V HN 0.505 nan 8.190 nan 0.000 0.455 348 A N 1.061 123.770 122.820 -0.186 0.000 1.855 348 A HA -0.076 4.218 4.320 -0.044 0.000 0.215 348 A C 0.730 178.200 177.584 -0.190 0.000 1.191 348 A CA 1.924 53.864 52.037 -0.162 0.000 0.613 348 A CB -1.874 17.092 19.000 -0.056 0.000 0.829 348 A HN 0.578 nan 8.150 nan 0.000 0.442 349 P HA -0.038 nan 4.420 nan 0.000 0.223 349 P C 1.467 178.595 177.300 -0.287 0.000 1.151 349 P CA 0.972 63.955 63.100 -0.196 0.000 0.787 349 P CB -0.064 31.535 31.700 -0.168 0.000 0.788 350 V N -0.014 119.629 119.914 -0.453 0.000 2.407 350 V HA -0.133 3.961 4.120 -0.044 0.000 0.245 350 V C 2.699 178.606 176.094 -0.312 0.000 1.041 350 V CA 1.182 63.214 62.300 -0.448 0.000 1.040 350 V CB -0.990 30.373 31.823 -0.767 0.000 0.671 350 V HN -0.002 nan 8.190 nan 0.000 0.455 351 L N 0.351 121.317 121.223 -0.427 0.000 2.083 351 L HA -0.102 4.212 4.340 -0.044 0.000 0.209 351 L C 2.592 179.219 176.870 -0.404 0.000 1.083 351 L CA 1.755 56.138 54.840 -0.761 0.000 0.752 351 L CB -1.043 40.290 42.059 -1.210 0.000 0.899 351 L HN 0.478 nan 8.230 nan 0.000 0.433 352 G N -0.227 108.498 108.800 -0.126 0.000 2.432 352 G HA2 -0.213 3.721 3.960 -0.044 0.000 0.219 352 G HA3 -0.213 3.721 3.960 -0.044 0.000 0.219 352 G C 1.636 176.625 174.900 0.149 0.000 1.135 352 G CA 0.438 45.603 45.100 0.108 0.000 0.767 352 G HN 0.238 nan 8.290 nan 0.000 0.550 353 L N -0.559 120.680 121.223 0.026 0.000 2.156 353 L HA 0.040 4.354 4.340 -0.044 0.000 0.208 353 L C 2.697 179.679 176.870 0.186 0.000 1.095 353 L CA 0.054 54.936 54.840 0.071 0.000 0.770 353 L CB -0.190 41.831 42.059 -0.062 0.000 0.914 353 L HN 0.142 nan 8.230 nan 0.000 0.439 354 L N -0.185 121.116 121.223 0.130 0.000 2.017 354 L HA -0.103 4.211 4.340 -0.044 0.000 0.208 354 L C 2.571 179.616 176.870 0.292 0.000 1.073 354 L CA 2.032 56.985 54.840 0.188 0.000 0.745 354 L CB -1.464 40.668 42.059 0.121 0.000 0.894 354 L HN 0.182 nan 8.230 nan 0.000 0.432 355 G N -2.126 106.919 108.800 0.409 0.000 2.470 355 G HA2 -0.319 3.615 3.960 -0.044 0.000 0.220 355 G HA3 -0.319 3.615 3.960 -0.044 0.000 0.220 355 G C 1.564 176.635 174.900 0.285 0.000 1.121 355 G CA 0.292 45.608 45.100 0.361 0.000 0.766 355 G HN 0.344 nan 8.290 nan 0.000 0.553 356 F N 0.942 120.992 119.950 0.167 0.000 2.451 356 F HA 0.173 4.675 4.527 -0.042 0.000 0.299 356 F C 2.254 178.147 175.800 0.155 0.000 1.101 356 F CA 0.355 58.451 58.000 0.160 0.000 1.436 356 F CB 0.080 39.178 39.000 0.163 0.000 1.074 356 F HN 0.089 nan 8.300 nan 0.000 0.553 357 I N 0.652 121.353 120.570 0.219 0.000 2.193 357 I HA -0.180 3.964 4.170 -0.044 0.000 0.240 357 I C -0.462 175.684 176.117 0.049 0.000 1.084 357 I CA 1.033 62.416 61.300 0.138 0.000 1.365 357 I CB -1.626 36.467 38.000 0.154 0.000 1.064 357 I HN 0.013 nan 8.210 nan 0.000 0.410 358 P HA -0.062 nan 4.420 nan 0.000 0.219 358 P C 1.588 178.865 177.300 -0.037 0.000 1.150 358 P CA 1.350 64.429 63.100 -0.035 0.000 0.814 358 P CB -0.211 31.440 31.700 -0.082 0.000 0.787 359 G N 0.039 108.831 108.800 -0.013 0.000 2.418 359 G HA2 -0.188 3.746 3.960 -0.044 0.000 0.217 359 G HA3 -0.188 3.746 3.960 -0.044 0.000 0.217 359 G C 1.770 176.700 174.900 0.050 0.000 1.158 359 G CA 0.877 46.013 45.100 0.061 0.000 0.771 359 G HN 0.364 nan 8.290 nan 0.000 0.545 360 G N 0.847 109.545 108.800 -0.169 0.000 2.422 360 G HA2 0.122 4.056 3.960 -0.044 0.000 0.218 360 G HA3 0.122 4.056 3.960 -0.044 0.000 0.218 360 G C 1.968 176.868 174.900 -0.000 0.000 1.140 360 G CA 1.381 46.400 45.100 -0.135 0.000 0.775 360 G HN 0.610 nan 8.290 nan 0.000 0.545 361 A N 0.925 123.751 122.820 0.011 0.000 1.930 361 A HA 0.218 4.512 4.320 -0.044 0.000 0.217 361 A C 2.670 180.289 177.584 0.059 0.000 1.175 361 A CA 1.914 53.974 52.037 0.038 0.000 0.627 361 A CB -0.965 18.052 19.000 0.028 0.000 0.815 361 A HN 0.451 nan 8.150 nan 0.000 0.443 362 G N -0.269 108.557 108.800 0.043 0.000 2.459 362 G HA2 -0.023 3.911 3.960 -0.044 0.000 0.217 362 G HA3 -0.023 3.911 3.960 -0.044 0.000 0.217 362 G C 1.578 176.423 174.900 -0.092 0.000 1.183 362 G CA 1.251 46.399 45.100 0.079 0.000 0.776 362 G HN 0.732 nan 8.290 nan 0.000 0.552 363 G N 0.641 109.257 108.800 -0.306 0.000 2.475 363 G HA2 -0.195 3.739 3.960 -0.044 0.000 0.220 363 G HA3 -0.195 3.739 3.960 -0.044 0.000 0.220 363 G C 1.622 176.483 174.900 -0.065 0.000 1.125 363 G CA 0.808 45.743 45.100 -0.274 0.000 0.755 363 G HN 0.339 nan 8.290 nan 0.000 0.565 364 I N 0.490 121.062 120.570 0.002 0.000 2.406 364 I HA -0.039 4.104 4.170 -0.044 0.000 0.249 364 I C 2.901 179.028 176.117 0.017 0.000 1.122 364 I CA 0.550 61.867 61.300 0.028 0.000 1.431 364 I CB -0.646 37.387 38.000 0.055 0.000 1.087 364 I HN 0.041 nan 8.210 nan 0.000 0.424 365 V N 1.684 121.621 119.914 0.038 0.000 2.261 365 V HA -0.290 3.804 4.120 -0.044 0.000 0.246 365 V C 2.162 178.234 176.094 -0.036 0.000 1.047 365 V CA 1.822 64.129 62.300 0.012 0.000 1.015 365 V CB -0.932 30.931 31.823 0.066 0.000 0.642 365 V HN 0.390 nan 8.190 nan 0.000 0.446 366 N N 0.846 119.546 118.700 -0.001 0.000 2.184 366 N HA -0.173 4.541 4.740 -0.044 0.000 0.190 366 N C 1.545 177.059 175.510 0.006 0.000 1.011 366 N CA 1.717 54.764 53.050 -0.005 0.000 0.867 366 N CB -0.492 38.004 38.487 0.014 0.000 0.993 366 N HN 0.551 nan 8.380 nan 0.000 0.433 367 A N -0.597 122.214 122.820 -0.015 0.000 2.251 367 A HA 0.162 4.456 4.320 -0.044 0.000 0.209 367 A C 1.216 178.823 177.584 0.038 0.000 1.187 367 A CA 0.066 52.128 52.037 0.042 0.000 0.823 367 A CB 0.030 18.998 19.000 -0.055 0.000 0.846 367 A HN 0.126 nan 8.150 nan 0.000 0.486 368 S N -0.087 115.571 115.700 -0.070 0.000 2.815 368 S HA 0.313 4.757 4.470 -0.044 0.000 0.254 368 S C 0.474 174.935 174.600 -0.232 0.000 1.197 368 S CA -0.213 57.927 58.200 -0.100 0.000 1.216 368 S CB -1.293 61.861 63.200 -0.077 0.000 0.871 368 S HN 0.590 nan 8.310 nan 0.000 0.473 369 F N 1.561 120.990 119.950 -0.867 0.000 2.120 369 F HA -0.510 3.991 4.527 -0.043 0.000 0.325 369 F C 2.311 177.471 175.800 -1.067 0.000 1.304 369 F CA 2.131 59.193 58.000 -1.562 0.000 1.952 369 F CB -1.459 37.108 39.000 -0.723 0.000 0.712 369 F HN 0.443 nan 8.300 nan 0.000 0.214 370 T N 0.460 114.819 114.554 -0.326 0.000 2.699 370 T HA -0.210 4.114 4.350 -0.044 0.000 0.268 370 T C 1.369 175.983 174.700 -0.144 0.000 1.036 370 T CA 1.936 63.928 62.100 -0.180 0.000 1.147 370 T CB -0.741 67.999 68.868 -0.214 0.000 0.862 370 T HN 0.370 nan 8.240 nan 0.000 0.446 371 L N 1.735 122.833 121.223 -0.208 0.000 2.450 371 L HA 0.045 4.359 4.340 -0.044 0.000 0.224 371 L C 2.220 178.946 176.870 -0.240 0.000 1.149 371 L CA 1.200 55.929 54.840 -0.184 0.000 0.816 371 L CB -0.841 41.120 42.059 -0.164 0.000 0.932 371 L HN 0.252 nan 8.230 nan 0.000 0.449 372 D N -1.103 119.079 120.400 -0.363 0.000 2.149 372 D HA -0.207 4.407 4.640 -0.044 0.000 0.201 372 D C 2.006 178.167 176.300 -0.232 0.000 0.972 372 D CA 1.139 54.945 54.000 -0.324 0.000 0.835 372 D CB -0.044 40.533 40.800 -0.372 0.000 0.966 372 D HN 0.434 nan 8.370 nan 0.000 0.476 373 Y N -0.527 119.731 120.300 -0.071 0.000 2.569 373 Y HA -0.081 4.443 4.550 -0.043 0.000 0.293 373 Y C 2.197 178.069 175.900 -0.046 0.000 1.144 373 Y CA 0.068 58.148 58.100 -0.034 0.000 1.321 373 Y CB -0.059 38.367 38.460 -0.056 0.000 0.982 373 Y HN -0.054 nan 8.280 nan 0.000 0.558 374 V N -0.924 118.988 119.914 -0.004 0.000 2.719 374 V HA -0.155 3.938 4.120 -0.044 0.000 0.252 374 V C 1.692 177.695 176.094 -0.151 0.000 1.065 374 V CA 1.575 63.823 62.300 -0.088 0.000 1.086 374 V CB -0.138 31.581 31.823 -0.175 0.000 0.700 374 V HN 0.468 nan 8.190 nan 0.000 0.467 375 V N -4.018 115.782 119.914 -0.190 0.000 3.426 375 V HA 0.372 4.465 4.120 -0.044 0.000 0.271 375 V C 0.932 177.024 176.094 -0.003 0.000 1.530 375 V CA -0.223 61.930 62.300 -0.246 0.000 1.021 375 V CB -0.723 30.572 31.823 -0.879 0.000 0.824 375 V HN 0.478 nan 8.190 nan 0.000 0.432 376 H N 2.910 121.959 119.070 -0.034 0.000 3.140 376 H HA 0.117 4.647 4.556 -0.044 0.000 0.316 376 H C 1.092 176.482 175.328 0.104 0.000 0.986 376 H CA 1.773 57.852 56.048 0.052 0.000 1.397 376 H CB 0.002 29.786 29.762 0.038 0.000 1.377 376 H HN 0.459 nan 8.280 nan 0.000 0.585 377 N N 1.537 120.018 118.700 -0.364 0.000 2.708 377 N HA -0.235 4.479 4.740 -0.044 0.000 0.251 377 N C -0.360 175.161 175.510 0.018 0.000 1.123 377 N CA 1.531 54.462 53.050 -0.199 0.000 0.739 377 N CB -1.301 37.011 38.487 -0.292 0.000 1.113 377 N HN 0.849 nan 8.380 nan 0.000 0.561 378 T N -4.973 109.625 114.554 0.073 0.000 2.910 378 T HA 0.746 5.070 4.350 -0.044 0.000 0.279 378 T C 1.457 176.226 174.700 0.115 0.000 0.989 378 T CA -0.093 62.070 62.100 0.106 0.000 0.968 378 T CB 1.595 70.532 68.868 0.116 0.000 1.135 378 T HN 0.069 nan 8.240 nan 0.000 0.562 379 A N -0.238 122.627 122.820 0.074 0.000 2.178 379 A HA 0.018 4.312 4.320 -0.044 0.000 0.218 379 A C 1.870 179.421 177.584 -0.055 0.000 1.157 379 A CA 0.798 52.802 52.037 -0.055 0.000 0.689 379 A CB -1.322 17.610 19.000 -0.113 0.000 0.787 379 A HN 0.897 nan 8.150 nan 0.000 0.465 380 W N 0.851 122.072 121.300 -0.131 0.000 2.325 380 W HA -0.218 4.416 4.660 -0.043 0.000 0.299 380 W C 1.501 177.875 176.519 -0.241 0.000 1.215 380 W CA 2.301 59.523 57.345 -0.205 0.000 1.244 380 W CB -0.463 28.970 29.460 -0.046 0.000 1.140 380 W HN 0.223 nan 8.180 nan 0.000 0.523 381 V N 1.967 121.997 119.914 0.193 0.000 2.270 381 V HA -0.221 3.873 4.120 -0.044 0.000 0.245 381 V C -0.404 175.582 176.094 -0.180 0.000 1.043 381 V CA 2.373 64.814 62.300 0.235 0.000 1.014 381 V CB -2.249 29.821 31.823 0.411 0.000 0.645 381 V HN -0.071 nan 8.190 nan 0.000 0.447 382 P HA -0.196 nan 4.420 nan 0.000 0.216 382 P C 1.705 178.582 177.300 -0.705 0.000 1.157 382 P CA 2.159 64.798 63.100 -0.769 0.000 0.880 382 P CB -0.370 31.127 31.700 -0.339 0.000 0.791 383 G N -1.293 107.156 108.800 -0.584 0.000 2.422 383 G HA2 -0.306 3.628 3.960 -0.044 0.000 0.218 383 G HA3 -0.306 3.628 3.960 -0.044 0.000 0.218 383 G C 1.534 176.149 174.900 -0.475 0.000 1.146 383 G CA 1.266 46.001 45.100 -0.608 0.000 0.769 383 G HN 0.355 nan 8.290 nan 0.000 0.547 384 H N 1.253 119.950 119.070 -0.621 0.000 2.276 384 H HA -0.065 4.465 4.556 -0.043 0.000 0.301 384 H C 2.137 177.435 175.328 -0.050 0.000 1.073 384 H CA 1.768 57.670 56.048 -0.243 0.000 1.311 384 H CB -0.742 28.942 29.762 -0.130 0.000 1.379 384 H HN 0.415 nan 8.280 nan 0.000 0.494 385 F N -1.144 118.592 119.950 -0.357 0.000 2.456 385 F HA 0.126 4.627 4.527 -0.044 0.000 0.298 385 F C 1.800 177.497 175.800 -0.173 0.000 1.104 385 F CA 0.752 58.528 58.000 -0.375 0.000 1.435 385 F CB -1.112 37.782 39.000 -0.177 0.000 1.078 385 F HN 0.172 nan 8.300 nan 0.000 0.546 386 H N 0.393 119.337 119.070 -0.210 0.000 2.491 386 H HA 0.085 4.615 4.556 -0.043 0.000 0.290 386 H C 1.819 177.147 175.328 0.001 0.000 1.050 386 H CA 1.466 57.480 56.048 -0.056 0.000 1.309 386 H CB -0.150 29.497 29.762 -0.192 0.000 1.392 386 H HN 0.335 nan 8.280 nan 0.000 0.554 387 L N 0.066 121.333 121.223 0.074 0.000 2.554 387 L HA -0.072 4.242 4.340 -0.044 0.000 0.226 387 L C 1.573 178.535 176.870 0.154 0.000 1.137 387 L CA 0.344 55.244 54.840 0.099 0.000 0.863 387 L CB 0.147 42.245 42.059 0.064 0.000 0.985 387 L HN 0.347 nan 8.230 nan 0.000 0.451 388 Q N -1.483 118.392 119.800 0.125 0.000 2.525 388 Q HA 0.013 4.327 4.340 -0.044 0.000 0.203 388 Q C 2.066 178.224 176.000 0.262 0.000 0.947 388 Q CA 1.002 56.930 55.803 0.208 0.000 0.881 388 Q CB -0.344 28.428 28.738 0.056 0.000 1.049 388 Q HN 0.272 nan 8.270 nan 0.000 0.600 389 V N 0.841 120.880 119.914 0.207 0.000 2.426 389 V HA 0.111 4.205 4.120 -0.044 0.000 0.242 389 V C 1.852 178.016 176.094 0.117 0.000 1.036 389 V CA 1.630 64.030 62.300 0.166 0.000 1.044 389 V CB -0.190 31.716 31.823 0.140 0.000 0.688 389 V HN 0.334 nan 8.190 nan 0.000 0.462 390 A N -1.169 121.727 122.820 0.126 0.000 2.167 390 A HA 0.015 4.309 4.320 -0.044 0.000 0.214 390 A C 2.288 180.087 177.584 0.358 0.000 1.151 390 A CA 1.594 53.761 52.037 0.217 0.000 0.735 390 A CB -0.309 18.829 19.000 0.231 0.000 0.802 390 A HN 0.581 nan 8.150 nan 0.000 0.467 391 S N -1.093 114.777 115.700 0.284 0.000 2.583 391 S HA 0.084 4.527 4.470 -0.044 0.000 0.203 391 S C 1.766 176.522 174.600 0.261 0.000 0.952 391 S CA 0.701 59.095 58.200 0.323 0.000 0.887 391 S CB -0.633 62.733 63.200 0.277 0.000 0.857 391 S HN 0.378 nan 8.310 nan 0.000 0.611 392 L N 2.462 123.835 121.223 0.251 0.000 1.961 392 L HA 0.103 4.417 4.340 -0.044 0.000 0.209 392 L C 2.392 179.309 176.870 0.078 0.000 1.075 392 L CA 2.044 56.987 54.840 0.172 0.000 0.749 392 L CB -1.018 41.170 42.059 0.215 0.000 0.890 392 L HN 0.296 nan 8.230 nan 0.000 0.433 393 V N -0.292 119.672 119.914 0.083 0.000 2.324 393 V HA -0.339 3.755 4.120 -0.044 0.000 0.250 393 V C 2.440 178.472 176.094 -0.103 0.000 1.060 393 V CA 2.370 64.666 62.300 -0.008 0.000 1.042 393 V CB -1.285 30.554 31.823 0.027 0.000 0.650 393 V HN 0.630 nan 8.190 nan 0.000 0.450 394 T N -0.117 114.422 114.554 -0.025 0.000 2.851 394 T HA 0.005 4.329 4.350 -0.044 0.000 0.262 394 T C 1.891 176.461 174.700 -0.217 0.000 1.043 394 T CA 1.124 63.162 62.100 -0.102 0.000 1.140 394 T CB -0.220 68.597 68.868 -0.085 0.000 0.872 394 T HN 0.281 nan 8.240 nan 0.000 0.446 395 L N 0.901 122.047 121.223 -0.129 0.000 2.141 395 L HA -0.090 4.224 4.340 -0.044 0.000 0.209 395 L C 2.859 179.682 176.870 -0.078 0.000 1.094 395 L CA 1.029 55.782 54.840 -0.145 0.000 0.763 395 L CB -0.864 41.181 42.059 -0.024 0.000 0.908 395 L HN 0.289 nan 8.230 nan 0.000 0.437 396 T N -0.231 114.290 114.554 -0.055 0.000 2.746 396 T HA -0.167 4.157 4.350 -0.044 0.000 0.267 396 T C 2.026 176.746 174.700 0.034 0.000 1.039 396 T CA 1.287 63.391 62.100 0.005 0.000 1.142 396 T CB -0.207 68.677 68.868 0.027 0.000 0.866 396 T HN 0.450 nan 8.240 nan 0.000 0.444 397 A N 1.537 124.254 122.820 -0.173 0.000 1.883 397 A HA -0.096 4.198 4.320 -0.044 0.000 0.217 397 A C 2.340 180.061 177.584 0.230 0.000 1.186 397 A CA 1.706 53.607 52.037 -0.226 0.000 0.624 397 A CB -0.744 17.830 19.000 -0.709 0.000 0.822 397 A HN 0.470 nan 8.150 nan 0.000 0.444 398 M N -0.608 119.085 119.600 0.155 0.000 2.149 398 M HA -0.112 4.341 4.480 -0.044 0.000 0.261 398 M C 2.233 178.698 176.300 0.276 0.000 1.064 398 M CA 1.453 56.913 55.300 0.265 0.000 1.102 398 M CB -0.504 32.103 32.600 0.012 0.000 1.369 398 M HN 0.515 nan 8.290 nan 0.000 0.408 399 G N -1.076 107.841 108.800 0.195 0.000 2.403 399 G HA2 -0.113 3.820 3.960 -0.044 0.000 0.216 399 G HA3 -0.113 3.820 3.960 -0.044 0.000 0.216 399 G C 1.314 176.366 174.900 0.254 0.000 1.154 399 G CA 0.411 45.656 45.100 0.243 0.000 0.784 399 G HN 0.403 nan 8.290 nan 0.000 0.538 400 S N 0.373 116.180 115.700 0.179 0.000 2.881 400 S HA 0.140 4.583 4.470 -0.044 0.000 0.228 400 S C 1.478 175.799 174.600 -0.464 0.000 0.965 400 S CA 0.004 58.105 58.200 -0.165 0.000 0.998 400 S CB -0.018 63.281 63.200 0.164 0.000 0.795 400 S HN 0.131 nan 8.310 nan 0.000 0.518 401 L N -1.139 119.949 121.223 -0.225 0.000 2.433 401 L HA 0.332 4.645 4.340 -0.044 0.000 0.200 401 L C 1.301 177.976 176.870 -0.325 0.000 1.059 401 L CA 1.081 55.725 54.840 -0.327 0.000 0.835 401 L CB -0.837 41.026 42.059 -0.326 0.000 1.076 401 L HN 0.280 nan 8.230 nan 0.000 0.481 402 Y N -0.482 119.748 120.300 -0.116 0.000 2.556 402 Y HA -0.258 4.266 4.550 -0.043 0.000 0.290 402 Y C 1.852 177.803 175.900 0.085 0.000 1.149 402 Y CA 1.638 59.738 58.100 0.000 0.000 1.329 402 Y CB -0.224 38.284 38.460 0.080 0.000 0.975 402 Y HN 0.429 nan 8.280 nan 0.000 0.561 403 W N -3.142 118.226 121.300 0.115 0.000 2.942 403 W HA 0.221 4.852 4.660 -0.049 0.000 0.260 403 W C 0.838 177.366 176.519 0.015 0.000 1.101 403 W CA 0.000 57.380 57.345 0.059 0.000 1.436 403 W CB -0.697 28.793 29.460 0.051 0.000 0.883 403 W HN 0.034 nan 8.180 nan 0.000 0.646 404 L N 1.356 122.165 121.223 -0.689 0.000 2.354 404 L HA 0.221 4.535 4.340 -0.044 0.000 0.212 404 L C 2.210 178.865 176.870 -0.359 0.000 1.091 404 L CA 1.002 55.424 54.840 -0.696 0.000 0.828 404 L CB -0.705 40.573 42.059 -1.301 0.000 0.973 404 L HN -0.062 nan 8.230 nan 0.000 0.461 405 L N 0.346 121.368 121.223 -0.335 0.000 2.044 405 L HA 0.022 4.336 4.340 -0.044 0.000 0.205 405 L C -0.589 176.175 176.870 -0.177 0.000 1.075 405 L CA 1.699 56.378 54.840 -0.269 0.000 0.747 405 L CB -1.344 40.524 42.059 -0.319 0.000 0.903 405 L HN 0.138 nan 8.230 nan 0.000 0.435 406 P HA -0.180 nan 4.420 nan 0.000 0.218 406 P C 1.248 178.530 177.300 -0.030 0.000 1.148 406 P CA 1.396 64.464 63.100 -0.054 0.000 0.822 406 P CB -0.253 31.447 31.700 0.000 0.000 0.784 407 N N -0.044 118.645 118.700 -0.018 0.000 2.025 407 N HA -0.138 4.576 4.740 -0.044 0.000 0.194 407 N C 1.633 177.125 175.510 -0.029 0.000 1.044 407 N CA 1.452 54.512 53.050 0.016 0.000 0.851 407 N CB -0.504 38.032 38.487 0.081 0.000 1.036 407 N HN 0.092 nan 8.380 nan 0.000 0.422 408 L N 0.268 121.427 121.223 -0.106 0.000 2.093 408 L HA -0.099 4.215 4.340 -0.044 0.000 0.208 408 L C 2.614 179.418 176.870 -0.110 0.000 1.085 408 L CA 1.665 56.417 54.840 -0.147 0.000 0.755 408 L CB -0.761 41.143 42.059 -0.259 0.000 0.904 408 L HN 0.373 nan 8.230 nan 0.000 0.435 409 T N -4.289 110.200 114.554 -0.108 0.000 2.983 409 T HA 0.239 4.563 4.350 -0.044 0.000 0.250 409 T C 1.583 176.251 174.700 -0.054 0.000 1.037 409 T CA 0.668 62.712 62.100 -0.093 0.000 1.142 409 T CB 0.461 69.261 68.868 -0.114 0.000 0.876 409 T HN 0.411 nan 8.240 nan 0.000 0.455 410 G N 1.415 110.190 108.800 -0.041 0.000 2.176 410 G HA2 -0.201 3.733 3.960 -0.044 0.000 0.232 410 G HA3 -0.201 3.733 3.960 -0.044 0.000 0.232 410 G C -0.057 174.830 174.900 -0.022 0.000 0.986 410 G CA -0.020 45.070 45.100 -0.017 0.000 0.643 410 G HN 0.675 nan 8.290 nan 0.000 0.522 411 K N 1.812 122.186 120.400 -0.043 0.000 2.205 411 K HA 0.483 4.777 4.320 -0.044 0.000 0.279 411 K C -2.079 174.500 176.600 -0.035 0.000 1.027 411 K CA -1.493 54.768 56.287 -0.044 0.000 0.932 411 K CB 1.642 34.101 32.500 -0.068 0.000 1.032 411 K HN 0.155 nan 8.250 nan 0.000 0.466 412 P HA 0.281 nan 4.420 nan 0.000 0.281 412 P C -0.729 176.571 177.300 0.000 0.000 1.264 412 P CA -0.482 62.619 63.100 0.001 0.000 0.824 412 P CB 0.900 32.607 31.700 0.012 0.000 1.092 413 I N 0.858 121.446 120.570 0.030 0.000 2.404 413 I HA 0.174 4.318 4.170 -0.044 0.000 0.293 413 I C 1.462 177.625 176.117 0.077 0.000 0.992 413 I CA -0.392 60.941 61.300 0.056 0.000 1.149 413 I CB 1.317 39.384 38.000 0.112 0.000 1.315 413 I HN 0.481 nan 8.210 nan 0.000 0.446 414 S N 3.988 119.733 115.700 0.075 0.000 2.393 414 S HA 0.153 4.597 4.470 -0.044 0.000 0.255 414 S C 0.766 175.416 174.600 0.085 0.000 1.210 414 S CA 0.205 58.447 58.200 0.069 0.000 1.013 414 S CB 0.745 63.979 63.200 0.057 0.000 1.055 414 S HN 0.686 nan 8.310 nan 0.000 0.483 415 D N -0.508 119.935 120.400 0.072 0.000 2.431 415 D HA 0.302 4.916 4.640 -0.044 0.000 0.235 415 D C 1.841 178.185 176.300 0.074 0.000 0.980 415 D CA 0.584 54.625 54.000 0.068 0.000 0.912 415 D CB -0.364 40.467 40.800 0.051 0.000 1.056 415 D HN 0.548 nan 8.370 nan 0.000 0.494 416 A N -0.031 122.833 122.820 0.073 0.000 2.119 416 A HA -0.026 4.268 4.320 -0.044 0.000 0.216 416 A C 2.029 179.676 177.584 0.105 0.000 1.152 416 A CA 0.700 52.783 52.037 0.077 0.000 0.708 416 A CB -0.375 18.666 19.000 0.068 0.000 0.805 416 A HN 0.272 nan 8.150 nan 0.000 0.460 417 Q N -0.741 119.134 119.800 0.125 0.000 2.049 417 Q HA -0.116 4.198 4.340 -0.044 0.000 0.198 417 Q C 2.384 178.529 176.000 0.242 0.000 0.971 417 Q CA 1.338 57.250 55.803 0.182 0.000 0.833 417 Q CB -0.166 28.673 28.738 0.169 0.000 0.896 417 Q HN 0.657 nan 8.270 nan 0.000 0.434 418 R N 0.714 121.329 120.500 0.193 0.000 2.096 418 R HA -0.094 4.220 4.340 -0.044 0.000 0.235 418 R C 2.061 178.380 176.300 0.031 0.000 1.127 418 R CA 1.141 57.300 56.100 0.099 0.000 0.968 418 R CB 0.066 30.421 30.300 0.092 0.000 0.861 418 R HN 0.098 nan 8.270 nan 0.000 0.440 419 R N 0.081 120.622 120.500 0.068 0.000 2.189 419 R HA -0.071 4.243 4.340 -0.044 0.000 0.218 419 R C 2.233 178.579 176.300 0.076 0.000 1.074 419 R CA 0.616 56.755 56.100 0.064 0.000 0.991 419 R CB -0.113 30.220 30.300 0.056 0.000 0.883 419 R HN 0.192 nan 8.270 nan 0.000 0.457 420 L N -0.231 121.050 121.223 0.097 0.000 2.156 420 L HA 0.014 4.328 4.340 -0.044 0.000 0.208 420 L C 2.091 179.044 176.870 0.139 0.000 1.095 420 L CA 1.624 56.534 54.840 0.117 0.000 0.770 420 L CB -0.425 41.719 42.059 0.141 0.000 0.914 420 L HN 0.142 nan 8.230 nan 0.000 0.439 421 G N -0.444 108.409 108.800 0.089 0.000 2.422 421 G HA2 -0.203 3.731 3.960 -0.044 0.000 0.218 421 G HA3 -0.203 3.731 3.960 -0.044 0.000 0.218 421 G C 1.515 176.420 174.900 0.008 0.000 1.146 421 G CA 0.965 46.036 45.100 -0.048 0.000 0.769 421 G HN 0.388 nan 8.290 nan 0.000 0.547 422 L N 0.367 121.629 121.223 0.065 0.000 2.156 422 L HA 0.047 4.361 4.340 -0.044 0.000 0.208 422 L C 3.335 180.397 176.870 0.321 0.000 1.095 422 L CA 0.860 55.834 54.840 0.222 0.000 0.770 422 L CB -0.394 41.810 42.059 0.242 0.000 0.914 422 L HN 0.315 nan 8.230 nan 0.000 0.439 423 A N -0.191 122.757 122.820 0.213 0.000 1.897 423 A HA -0.101 4.193 4.320 -0.044 0.000 0.215 423 A C 2.341 180.070 177.584 0.242 0.000 1.181 423 A CA 1.293 53.451 52.037 0.203 0.000 0.620 423 A CB -0.650 18.422 19.000 0.120 0.000 0.821 423 A HN 0.151 nan 8.150 nan 0.000 0.443 424 V N -0.436 119.618 119.914 0.233 0.000 2.295 424 V HA -0.222 3.871 4.120 -0.044 0.000 0.246 424 V C 2.592 178.865 176.094 0.298 0.000 1.049 424 V CA 2.049 64.513 62.300 0.275 0.000 1.024 424 V CB -0.687 31.328 31.823 0.319 0.000 0.648 424 V HN 0.360 nan 8.190 nan 0.000 0.447 425 V N -1.586 118.471 119.914 0.239 0.000 2.295 425 V HA -0.269 3.825 4.120 -0.044 0.000 0.246 425 V C 2.087 178.331 176.094 0.249 0.000 1.049 425 V CA 2.167 64.572 62.300 0.176 0.000 1.024 425 V CB -0.723 31.120 31.823 0.034 0.000 0.648 425 V HN 0.646 nan 8.190 nan 0.000 0.447 426 W N -0.251 121.173 121.300 0.206 0.000 2.342 426 W HA -0.147 4.487 4.660 -0.043 0.000 0.297 426 W C 2.336 179.005 176.519 0.249 0.000 1.213 426 W CA 1.168 58.647 57.345 0.224 0.000 1.251 426 W CB -0.286 29.255 29.460 0.134 0.000 1.136 426 W HN 0.164 nan 8.180 nan 0.000 0.526 427 L N -1.267 120.215 121.223 0.431 0.000 2.109 427 L HA -0.191 4.123 4.340 -0.044 0.000 0.207 427 L C 2.350 179.373 176.870 0.255 0.000 1.086 427 L CA 0.845 55.856 54.840 0.285 0.000 0.760 427 L CB -0.899 41.287 42.059 0.212 0.000 0.910 427 L HN 0.251 nan 8.230 nan 0.000 0.437 428 W N 0.660 122.038 121.300 0.130 0.000 2.381 428 W HA -0.286 4.349 4.660 -0.042 0.000 0.301 428 W C 2.438 179.010 176.519 0.088 0.000 1.205 428 W CA 1.579 58.968 57.345 0.074 0.000 1.285 428 W CB -0.449 29.038 29.460 0.045 0.000 1.133 428 W HN 0.151 nan 8.180 nan 0.000 0.521 429 F N 1.148 121.254 119.950 0.260 0.000 2.084 429 F HA -0.234 4.267 4.527 -0.043 0.000 0.296 429 F C 2.105 177.943 175.800 0.064 0.000 1.111 429 F CA 1.673 59.749 58.000 0.128 0.000 1.224 429 F CB -0.901 38.107 39.000 0.013 0.000 0.991 429 F HN -0.289 nan 8.300 nan 0.000 0.471 430 L N 1.007 122.262 121.223 0.054 0.000 2.261 430 L HA -0.090 4.224 4.340 -0.044 0.000 0.216 430 L C 2.592 179.356 176.870 -0.177 0.000 1.114 430 L CA 1.734 56.532 54.840 -0.071 0.000 0.777 430 L CB -1.802 40.351 42.059 0.156 0.000 0.910 430 L HN 0.378 nan 8.230 nan 0.000 0.440 431 G N -2.030 106.666 108.800 -0.174 0.000 2.411 431 G HA2 -0.162 3.771 3.960 -0.044 0.000 0.213 431 G HA3 -0.162 3.771 3.960 -0.044 0.000 0.213 431 G C 1.498 176.226 174.900 -0.286 0.000 1.166 431 G CA 0.188 45.149 45.100 -0.231 0.000 0.802 431 G HN 0.156 nan 8.290 nan 0.000 0.533 432 M N 0.559 119.958 119.600 -0.335 0.000 2.213 432 M HA 0.059 4.513 4.480 -0.044 0.000 0.263 432 M C 2.492 178.644 176.300 -0.246 0.000 1.062 432 M CA 0.868 55.995 55.300 -0.287 0.000 1.105 432 M CB -0.830 31.642 32.600 -0.214 0.000 1.385 432 M HN 0.173 nan 8.290 nan 0.000 0.417 433 M N -0.133 119.267 119.600 -0.335 0.000 2.098 433 M HA -0.080 4.374 4.480 -0.044 0.000 0.262 433 M C 2.245 178.462 176.300 -0.139 0.000 1.072 433 M CA 1.274 56.411 55.300 -0.271 0.000 1.133 433 M CB -1.217 31.147 32.600 -0.394 0.000 1.344 433 M HN 0.135 nan 8.290 nan 0.000 0.414 434 I N 0.215 120.692 120.570 -0.156 0.000 2.151 434 I HA -0.314 3.830 4.170 -0.044 0.000 0.243 434 I C 2.567 178.686 176.117 0.004 0.000 1.080 434 I CA 1.597 62.836 61.300 -0.103 0.000 1.339 434 I CB -0.999 36.876 38.000 -0.209 0.000 1.039 434 I HN 0.378 nan 8.210 nan 0.000 0.409 435 M N 0.038 119.587 119.600 -0.085 0.000 2.213 435 M HA -0.170 4.283 4.480 -0.044 0.000 0.263 435 M C 2.318 178.587 176.300 -0.051 0.000 1.062 435 M CA 1.783 57.028 55.300 -0.092 0.000 1.105 435 M CB -0.038 32.433 32.600 -0.215 0.000 1.385 435 M HN 0.241 nan 8.290 nan 0.000 0.417 436 A N -0.282 122.520 122.820 -0.029 0.000 1.858 436 A HA -0.131 4.163 4.320 -0.044 0.000 0.216 436 A C 1.981 179.677 177.584 0.188 0.000 1.190 436 A CA 1.902 53.983 52.037 0.073 0.000 0.617 436 A CB -1.135 17.885 19.000 0.032 0.000 0.827 436 A HN 0.376 nan 8.150 nan 0.000 0.443 437 V N 0.301 120.303 119.914 0.147 0.000 2.252 437 V HA -0.249 3.844 4.120 -0.044 0.000 0.249 437 V C 2.810 179.061 176.094 0.261 0.000 1.056 437 V CA 2.082 64.499 62.300 0.195 0.000 1.022 437 V CB -1.956 30.067 31.823 0.332 0.000 0.641 437 V HN 0.608 nan 8.190 nan 0.000 0.445 438 G N 0.436 109.400 108.800 0.274 0.000 2.628 438 G HA2 -0.251 3.683 3.960 -0.044 0.000 0.217 438 G HA3 -0.251 3.683 3.960 -0.044 0.000 0.217 438 G C 1.453 176.418 174.900 0.108 0.000 1.240 438 G CA 1.313 46.521 45.100 0.180 0.000 0.792 438 G HN 0.331 nan 8.290 nan 0.000 0.593 439 L N 0.431 121.663 121.223 0.014 0.000 2.017 439 L HA -0.024 4.290 4.340 -0.044 0.000 0.208 439 L C 2.538 179.393 176.870 -0.025 0.000 1.073 439 L CA 1.889 56.673 54.840 -0.092 0.000 0.745 439 L CB -1.701 40.193 42.059 -0.274 0.000 0.894 439 L HN 0.353 nan 8.230 nan 0.000 0.432 440 H N -2.423 116.626 119.070 -0.036 0.000 2.267 440 H HA -0.269 4.260 4.556 -0.044 0.000 0.297 440 H C 1.906 177.397 175.328 0.272 0.000 1.080 440 H CA 2.413 58.455 56.048 -0.010 0.000 1.278 440 H CB -0.293 29.320 29.762 -0.248 0.000 1.365 440 H HN 0.292 nan 8.280 nan 0.000 0.489 441 W N 1.563 122.951 121.300 0.145 0.000 2.317 441 W HA -0.231 4.402 4.660 -0.044 0.000 0.318 441 W C 2.661 179.226 176.519 0.076 0.000 1.227 441 W CA 1.954 59.349 57.345 0.083 0.000 1.269 441 W CB -1.011 28.427 29.460 -0.037 0.000 1.155 441 W HN 0.237 nan 8.180 nan 0.000 0.484 442 A N 0.332 123.288 122.820 0.227 0.000 1.940 442 A HA -0.078 4.216 4.320 -0.044 0.000 0.219 442 A C 2.345 179.999 177.584 0.116 0.000 1.176 442 A CA 2.393 54.471 52.037 0.069 0.000 0.631 442 A CB -1.518 17.495 19.000 0.022 0.000 0.814 442 A HN 0.356 nan 8.150 nan 0.000 0.446 443 G N -0.172 108.737 108.800 0.181 0.000 2.421 443 G HA2 -0.179 3.755 3.960 -0.044 0.000 0.216 443 G HA3 -0.179 3.755 3.960 -0.044 0.000 0.216 443 G C 1.513 176.542 174.900 0.213 0.000 1.171 443 G CA 1.058 46.285 45.100 0.212 0.000 0.775 443 G HN 0.442 nan 8.290 nan 0.000 0.543 444 L N -0.091 121.307 121.223 0.293 0.000 2.201 444 L HA 0.095 4.409 4.340 -0.044 0.000 0.212 444 L C 2.348 179.318 176.870 0.166 0.000 1.105 444 L CA 0.303 55.269 54.840 0.210 0.000 0.775 444 L CB -0.136 42.083 42.059 0.265 0.000 0.913 444 L HN 0.162 nan 8.230 nan 0.000 0.440 445 L N -0.587 120.746 121.223 0.183 0.000 2.627 445 L HA 0.039 4.352 4.340 -0.044 0.000 0.233 445 L C 0.373 177.292 176.870 0.082 0.000 1.144 445 L CA 0.292 55.206 54.840 0.124 0.000 0.892 445 L CB -0.453 41.668 42.059 0.104 0.000 1.039 445 L HN 0.399 nan 8.230 nan 0.000 0.442 446 N N -2.645 116.103 118.700 0.080 0.000 2.967 446 N HA -0.149 4.565 4.740 -0.044 0.000 0.241 446 N C -0.168 175.369 175.510 0.046 0.000 0.983 446 N CA 0.022 53.115 53.050 0.071 0.000 0.918 446 N CB -1.141 37.392 38.487 0.075 0.000 1.109 446 N HN -0.004 nan 8.380 nan 0.000 0.567 447 V N 2.175 122.060 119.914 -0.047 0.000 2.485 447 V HA 0.172 4.266 4.120 -0.044 0.000 0.287 447 V C -1.316 174.747 176.094 -0.053 0.000 1.022 447 V CA -0.514 61.629 62.300 -0.261 0.000 1.067 447 V CB 0.283 31.925 31.823 -0.302 0.000 0.967 447 V HN 0.049 nan 8.190 nan 0.000 0.479 448 P HA 0.281 nan 4.420 nan 0.000 0.274 448 P C -0.665 176.756 177.300 0.200 0.000 1.246 448 P CA -0.612 62.548 63.100 0.101 0.000 0.795 448 P CB 0.902 32.676 31.700 0.124 0.000 1.006 449 R N 0.262 120.884 120.500 0.204 0.000 2.691 449 R HA 0.577 4.891 4.340 -0.044 0.000 0.259 449 R C -0.122 176.386 176.300 0.347 0.000 1.048 449 R CA -0.875 55.387 56.100 0.271 0.000 1.086 449 R CB 0.500 30.903 30.300 0.171 0.000 1.166 449 R HN 0.282 nan 8.270 nan 0.000 0.526 450 R N -1.213 119.552 120.500 0.442 0.000 3.423 450 R HA -0.187 4.127 4.340 -0.044 0.000 0.271 450 R C -1.312 175.348 176.300 0.600 0.000 1.093 450 R CA 0.815 57.216 56.100 0.501 0.000 0.730 450 R CB -2.063 28.452 30.300 0.359 0.000 1.190 450 R HN 0.735 nan 8.270 nan 0.000 0.437 451 A N 0.346 123.505 122.820 0.565 0.000 2.398 451 A HA 0.383 4.677 4.320 -0.044 0.000 0.301 451 A C -0.832 176.672 177.584 -0.133 0.000 1.041 451 A CA -0.583 51.663 52.037 0.348 0.000 0.711 451 A CB 0.904 20.017 19.000 0.188 0.000 1.240 451 A HN 0.394 nan 8.150 nan 0.000 0.420 452 Y N 5.497 125.477 120.300 -0.533 0.000 2.889 452 Y HA 0.110 4.634 4.550 -0.043 0.000 0.367 452 Y C 1.367 176.912 175.900 -0.592 0.000 1.197 452 Y CA -0.627 56.794 58.100 -1.133 0.000 1.993 452 Y CB 0.052 37.868 38.460 -1.073 0.000 2.112 452 Y HN 0.672 nan 8.280 nan 0.000 0.413 453 I N 0.038 120.256 120.570 -0.587 0.000 2.756 453 I HA -0.126 4.018 4.170 -0.044 0.000 0.262 453 I C 1.756 177.627 176.117 -0.410 0.000 1.225 453 I CA 1.423 62.480 61.300 -0.404 0.000 1.472 453 I CB -1.620 36.130 38.000 -0.416 0.000 1.094 453 I HN 0.520 nan 8.210 nan 0.000 0.454 454 A N 0.877 123.360 122.820 -0.562 0.000 2.066 454 A HA -0.157 4.137 4.320 -0.044 0.000 0.218 454 A C 2.343 179.624 177.584 -0.505 0.000 1.157 454 A CA 0.964 52.743 52.037 -0.430 0.000 0.670 454 A CB -0.610 18.209 19.000 -0.301 0.000 0.804 454 A HN 0.588 nan 8.150 nan 0.000 0.453 455 Q N 0.133 119.418 119.800 -0.858 0.000 2.291 455 Q HA -0.051 4.263 4.340 -0.044 0.000 0.205 455 Q C 0.131 175.929 176.000 -0.336 0.000 0.970 455 Q CA 1.421 56.825 55.803 -0.664 0.000 0.876 455 Q CB -0.025 28.190 28.738 -0.873 0.000 0.935 455 Q HN 0.572 nan 8.270 nan 0.000 0.455 456 V N -1.792 117.948 119.914 -0.290 0.000 2.225 456 V HA 0.310 4.404 4.120 -0.044 0.000 0.264 456 V C -2.427 173.581 176.094 -0.143 0.000 1.067 456 V CA -1.546 60.647 62.300 -0.178 0.000 0.903 456 V CB 0.807 32.542 31.823 -0.146 0.000 1.136 456 V HN -0.035 nan 8.190 nan 0.000 0.456 457 P HA -0.034 nan 4.420 nan 0.000 0.215 457 P C 0.969 178.223 177.300 -0.077 0.000 1.157 457 P CA 1.207 64.249 63.100 -0.096 0.000 0.859 457 P CB 0.249 31.897 31.700 -0.088 0.000 0.786 458 D N -0.651 119.694 120.400 -0.091 0.000 2.378 458 D HA 0.021 4.634 4.640 -0.044 0.000 0.227 458 D C 1.709 177.931 176.300 -0.130 0.000 1.012 458 D CA 0.593 54.540 54.000 -0.088 0.000 0.905 458 D CB -0.103 40.649 40.800 -0.080 0.000 0.895 458 D HN 0.126 nan 8.370 nan 0.000 0.532 459 A N 0.225 122.923 122.820 -0.205 0.000 1.969 459 A HA -0.136 4.158 4.320 -0.044 0.000 0.218 459 A C 0.494 177.702 177.584 -0.627 0.000 1.169 459 A CA 0.836 52.599 52.037 -0.458 0.000 0.635 459 A CB -0.283 18.340 19.000 -0.628 0.000 0.810 459 A HN 0.220 nan 8.150 nan 0.000 0.445 460 Y N -0.660 119.617 120.300 -0.038 0.000 2.658 460 Y HA 0.297 4.821 4.550 -0.043 0.000 0.362 460 Y C -1.718 174.180 175.900 -0.003 0.000 1.017 460 Y CA -2.101 55.992 58.100 -0.011 0.000 1.134 460 Y CB 0.716 39.160 38.460 -0.026 0.000 1.144 460 Y HN 0.202 nan 8.280 nan 0.000 0.655 461 P HA -0.173 nan 4.420 nan 0.000 0.218 461 P C 0.813 178.118 177.300 0.010 0.000 1.149 461 P CA 1.626 64.745 63.100 0.033 0.000 0.817 461 P CB 0.417 32.118 31.700 0.002 0.000 0.785 462 H N 0.166 119.234 119.070 -0.004 0.000 2.543 462 H HA 0.132 4.661 4.556 -0.044 0.000 0.286 462 H C 1.543 176.810 175.328 -0.101 0.000 1.037 462 H CA 1.285 57.317 56.048 -0.027 0.000 1.250 462 H CB -0.428 29.340 29.762 0.011 0.000 1.373 462 H HN 0.163 nan 8.280 nan 0.000 0.580 463 A N -0.157 122.655 122.820 -0.014 0.000 2.545 463 A HA 0.539 4.833 4.320 -0.044 0.000 0.277 463 A C 2.040 179.490 177.584 -0.222 0.000 1.301 463 A CA 0.438 52.367 52.037 -0.181 0.000 0.935 463 A CB -0.327 18.602 19.000 -0.118 0.000 1.093 463 A HN 0.371 nan 8.150 nan 0.000 0.519 464 A N -0.030 122.685 122.820 -0.175 0.000 1.978 464 A HA -0.014 4.279 4.320 -0.044 0.000 0.220 464 A C 2.050 179.515 177.584 -0.198 0.000 1.170 464 A CA 2.089 54.037 52.037 -0.148 0.000 0.636 464 A CB -0.715 18.218 19.000 -0.111 0.000 0.810 464 A HN 0.771 nan 8.150 nan 0.000 0.448 465 V N -0.988 118.724 119.914 -0.337 0.000 2.255 465 V HA -0.091 4.003 4.120 -0.044 0.000 0.243 465 V C -0.186 175.574 176.094 -0.557 0.000 1.038 465 V CA 1.516 63.561 62.300 -0.426 0.000 1.008 465 V CB -2.265 29.235 31.823 -0.537 0.000 0.645 465 V HN 0.426 nan 8.190 nan 0.000 0.449 466 P HA -0.053 nan 4.420 nan 0.000 0.230 466 P C 1.794 178.980 177.300 -0.191 0.000 1.158 466 P CA 1.300 64.023 63.100 -0.629 0.000 0.769 466 P CB -0.002 31.274 31.700 -0.706 0.000 0.807 467 M N -0.744 118.754 119.600 -0.170 0.000 2.132 467 M HA -0.103 4.351 4.480 -0.044 0.000 0.263 467 M C 2.131 178.447 176.300 0.027 0.000 1.065 467 M CA 1.447 56.719 55.300 -0.046 0.000 1.122 467 M CB -0.786 31.776 32.600 -0.062 0.000 1.365 467 M HN -0.237 nan 8.290 nan 0.000 0.411 468 V N 0.188 120.127 119.914 0.041 0.000 2.282 468 V HA -0.302 3.792 4.120 -0.044 0.000 0.249 468 V C 2.135 178.337 176.094 0.181 0.000 1.057 468 V CA 1.973 64.334 62.300 0.100 0.000 1.032 468 V CB -0.823 31.072 31.823 0.120 0.000 0.645 468 V HN 0.281 nan 8.190 nan 0.000 0.447 469 F N 1.428 121.356 119.950 -0.036 0.000 2.087 469 F HA -0.208 4.293 4.527 -0.044 0.000 0.299 469 F C 2.385 178.162 175.800 -0.039 0.000 1.100 469 F CA 1.868 59.858 58.000 -0.018 0.000 1.226 469 F CB -1.003 38.013 39.000 0.026 0.000 0.983 469 F HN 0.288 nan 8.300 nan 0.000 0.479 470 N N 0.138 118.929 118.700 0.152 0.000 2.244 470 N HA -0.118 4.596 4.740 -0.044 0.000 0.183 470 N C 2.065 177.576 175.510 0.003 0.000 1.016 470 N CA 1.328 54.408 53.050 0.049 0.000 0.866 470 N CB -0.793 37.731 38.487 0.063 0.000 0.980 470 N HN 0.177 nan 8.380 nan 0.000 0.430 471 V N 1.670 121.591 119.914 0.011 0.000 2.307 471 V HA -0.145 3.949 4.120 -0.044 0.000 0.245 471 V C 2.469 178.530 176.094 -0.056 0.000 1.045 471 V CA 1.066 63.353 62.300 -0.023 0.000 1.024 471 V CB -0.609 31.206 31.823 -0.014 0.000 0.651 471 V HN 0.182 nan 8.190 nan 0.000 0.449 472 L N -0.005 121.181 121.223 -0.063 0.000 2.046 472 L HA -0.175 4.139 4.340 -0.044 0.000 0.208 472 L C 2.534 179.328 176.870 -0.126 0.000 1.077 472 L CA 1.739 56.513 54.840 -0.109 0.000 0.747 472 L CB -0.445 41.511 42.059 -0.173 0.000 0.896 472 L HN 0.360 nan 8.230 nan 0.000 0.432 473 A N -0.724 122.021 122.820 -0.125 0.000 2.014 473 A HA -0.035 4.259 4.320 -0.044 0.000 0.218 473 A C 2.269 179.761 177.584 -0.154 0.000 1.163 473 A CA 1.186 53.134 52.037 -0.149 0.000 0.652 473 A CB -1.052 17.859 19.000 -0.149 0.000 0.808 473 A HN 0.486 nan 8.150 nan 0.000 0.449 474 G N 0.680 109.404 108.800 -0.126 0.000 2.480 474 G HA2 -0.239 3.695 3.960 -0.044 0.000 0.216 474 G HA3 -0.239 3.695 3.960 -0.044 0.000 0.216 474 G C 1.504 176.310 174.900 -0.155 0.000 1.200 474 G CA 1.303 46.320 45.100 -0.139 0.000 0.782 474 G HN 0.480 nan 8.290 nan 0.000 0.554 475 I N 0.157 120.649 120.570 -0.131 0.000 2.179 475 I HA -0.151 3.993 4.170 -0.044 0.000 0.242 475 I C 2.806 178.860 176.117 -0.106 0.000 1.088 475 I CA 0.454 61.683 61.300 -0.119 0.000 1.357 475 I CB -0.548 37.395 38.000 -0.095 0.000 1.051 475 I HN 0.028 nan 8.210 nan 0.000 0.409 476 V N 1.198 121.048 119.914 -0.106 0.000 2.231 476 V HA -0.304 3.790 4.120 -0.044 0.000 0.248 476 V C 2.429 178.470 176.094 -0.087 0.000 1.054 476 V CA 2.049 64.296 62.300 -0.088 0.000 1.015 476 V CB -0.493 31.271 31.823 -0.098 0.000 0.638 476 V HN 0.369 nan 8.190 nan 0.000 0.444 477 L N -0.898 120.233 121.223 -0.152 0.000 2.201 477 L HA -0.148 4.166 4.340 -0.044 0.000 0.212 477 L C 2.344 179.148 176.870 -0.110 0.000 1.105 477 L CA 0.821 55.540 54.840 -0.202 0.000 0.775 477 L CB -0.388 41.446 42.059 -0.376 0.000 0.913 477 L HN 0.360 nan 8.230 nan 0.000 0.440 478 L N -0.412 120.746 121.223 -0.108 0.000 1.970 478 L HA -0.243 4.071 4.340 -0.044 0.000 0.212 478 L C 2.545 179.410 176.870 -0.007 0.000 1.071 478 L CA 1.788 56.581 54.840 -0.078 0.000 0.751 478 L CB -0.235 41.743 42.059 -0.135 0.000 0.889 478 L HN 0.044 nan 8.230 nan 0.000 0.432 479 V N 0.421 120.329 119.914 -0.011 0.000 2.332 479 V HA -0.317 3.777 4.120 -0.044 0.000 0.248 479 V C 2.873 179.017 176.094 0.084 0.000 1.055 479 V CA 1.721 64.034 62.300 0.021 0.000 1.038 479 V CB -0.958 30.866 31.823 0.002 0.000 0.651 479 V HN 0.621 nan 8.190 nan 0.000 0.450 480 A N -0.362 122.527 122.820 0.115 0.000 1.858 480 A HA -0.211 4.083 4.320 -0.044 0.000 0.216 480 A C 2.162 179.942 177.584 0.327 0.000 1.190 480 A CA 2.154 54.334 52.037 0.237 0.000 0.617 480 A CB -0.647 18.526 19.000 0.287 0.000 0.827 480 A HN 0.440 nan 8.150 nan 0.000 0.443 481 L N -0.045 121.360 121.223 0.303 0.000 2.012 481 L HA -0.153 4.161 4.340 -0.044 0.000 0.210 481 L C 2.382 179.431 176.870 0.299 0.000 1.073 481 L CA 1.742 56.793 54.840 0.352 0.000 0.748 481 L CB -0.608 41.606 42.059 0.258 0.000 0.891 481 L HN 0.445 nan 8.230 nan 0.000 0.431 482 L N -1.343 119.994 121.223 0.189 0.000 1.955 482 L HA -0.299 4.015 4.340 -0.044 0.000 0.213 482 L C 2.572 179.559 176.870 0.195 0.000 1.072 482 L CA 1.710 56.643 54.840 0.155 0.000 0.755 482 L CB -0.872 41.241 42.059 0.090 0.000 0.888 482 L HN 0.257 nan 8.230 nan 0.000 0.432 483 L N -1.091 120.226 121.223 0.156 0.000 2.123 483 L HA -0.328 3.986 4.340 -0.044 0.000 0.217 483 L C 2.482 179.496 176.870 0.241 0.000 1.081 483 L CA 1.709 56.629 54.840 0.133 0.000 0.772 483 L CB -0.445 41.685 42.059 0.117 0.000 0.890 483 L HN 0.206 nan 8.230 nan 0.000 0.437 484 F N 0.111 120.157 119.950 0.161 0.000 2.128 484 F HA -0.153 4.348 4.527 -0.044 0.000 0.295 484 F C 2.176 178.085 175.800 0.182 0.000 1.100 484 F CA 1.525 59.621 58.000 0.160 0.000 1.260 484 F CB -0.103 38.969 39.000 0.121 0.000 1.009 484 F HN -0.069 nan 8.300 nan 0.000 0.476 485 I N -1.105 119.577 120.570 0.187 0.000 2.226 485 I HA -0.301 3.843 4.170 -0.044 0.000 0.245 485 I C 2.197 178.353 176.117 0.065 0.000 1.100 485 I CA 1.536 62.878 61.300 0.071 0.000 1.374 485 I CB -1.136 36.880 38.000 0.027 0.000 1.057 485 I HN 0.155 nan 8.210 nan 0.000 0.413 486 Y N 2.178 122.467 120.300 -0.017 0.000 2.002 486 Y HA -0.355 4.169 4.550 -0.044 0.000 0.268 486 Y C 2.635 178.529 175.900 -0.011 0.000 1.177 486 Y CA 2.164 60.266 58.100 0.003 0.000 1.111 486 Y CB -0.863 37.609 38.460 0.021 0.000 0.952 486 Y HN 0.141 nan 8.280 nan 0.000 0.491 487 G N -0.214 108.706 108.800 0.200 0.000 2.491 487 G HA2 -0.328 3.606 3.960 -0.044 0.000 0.218 487 G HA3 -0.328 3.606 3.960 -0.044 0.000 0.218 487 G C 1.535 176.353 174.900 -0.136 0.000 1.180 487 G CA 1.219 46.346 45.100 0.045 0.000 0.774 487 G HN 0.424 nan 8.290 nan 0.000 0.562 488 L N -0.372 120.668 121.223 -0.305 0.000 2.027 488 L HA 0.235 4.549 4.340 -0.044 0.000 0.206 488 L C 1.618 178.388 176.870 -0.167 0.000 1.074 488 L CA 1.029 55.663 54.840 -0.342 0.000 0.745 488 L CB -0.690 41.076 42.059 -0.488 0.000 0.898 488 L HN 0.149 nan 8.230 nan 0.000 0.433 489 F N -0.460 119.364 119.950 -0.209 0.000 2.778 489 F HA 0.092 4.594 4.527 -0.042 0.000 0.295 489 F C 1.756 177.451 175.800 -0.175 0.000 1.262 489 F CA 0.605 58.511 58.000 -0.157 0.000 1.429 489 F CB -0.800 38.126 39.000 -0.124 0.000 1.072 489 F HN 0.329 nan 8.300 nan 0.000 0.514 490 S N -3.426 112.231 115.700 -0.073 0.000 2.648 490 S HA 0.071 4.514 4.470 -0.044 0.000 0.270 490 S C 1.275 175.817 174.600 -0.097 0.000 1.082 490 S CA 0.260 58.409 58.200 -0.085 0.000 1.116 490 S CB -0.279 62.883 63.200 -0.063 0.000 1.040 490 S HN -0.009 nan 8.310 nan 0.000 0.572 491 V N 2.503 122.331 119.914 -0.143 0.000 2.446 491 V HA 0.225 4.319 4.120 -0.044 0.000 0.244 491 V C 2.253 178.248 176.094 -0.165 0.000 1.039 491 V CA 1.301 63.506 62.300 -0.158 0.000 1.045 491 V CB -0.695 30.996 31.823 -0.220 0.000 0.681 491 V HN 0.445 nan 8.190 nan 0.000 0.459 492 L N -0.727 120.369 121.223 -0.212 0.000 2.465 492 L HA -0.059 4.255 4.340 -0.044 0.000 0.224 492 L C 2.125 178.895 176.870 -0.167 0.000 1.145 492 L CA 0.633 55.340 54.840 -0.222 0.000 0.834 492 L CB -0.345 41.507 42.059 -0.345 0.000 0.944 492 L HN 0.301 nan 8.230 nan 0.000 0.451 493 L N -1.096 120.048 121.223 -0.130 0.000 2.189 493 L HA 0.065 4.378 4.340 -0.044 0.000 0.199 493 L C 1.548 178.380 176.870 -0.064 0.000 1.074 493 L CA 0.687 55.477 54.840 -0.083 0.000 0.783 493 L CB -0.211 41.813 42.059 -0.059 0.000 0.955 493 L HN 0.171 nan 8.230 nan 0.000 0.460 494 S N 0.101 115.763 115.700 -0.063 0.000 2.564 494 S HA 0.177 4.620 4.470 -0.044 0.000 0.278 494 S C 0.709 175.280 174.600 -0.049 0.000 1.333 494 S CA -0.566 57.605 58.200 -0.047 0.000 1.048 494 S CB 0.793 63.969 63.200 -0.040 0.000 0.900 494 S HN 0.128 nan 8.310 nan 0.000 0.505 495 R N 0.927 121.405 120.500 -0.036 0.000 2.466 495 R HA 0.144 4.458 4.340 -0.044 0.000 0.279 495 R C -0.213 176.070 176.300 -0.029 0.000 0.976 495 R CA -0.002 56.077 56.100 -0.035 0.000 1.081 495 R CB -0.401 29.883 30.300 -0.027 0.000 1.215 495 R HN 0.772 nan 8.270 nan 0.000 0.546 496 E N 1.537 121.720 120.200 -0.028 0.000 2.705 496 E HA 0.013 4.337 4.350 -0.044 0.000 0.272 496 E C 0.003 176.591 176.600 -0.019 0.000 1.528 496 E CA -0.130 56.258 56.400 -0.019 0.000 1.750 496 E CB -0.181 29.510 29.700 -0.014 0.000 1.439 496 E HN 0.015 nan 8.360 nan 0.000 0.449 497 R N 2.071 122.558 120.500 -0.022 0.000 2.488 497 R HA -0.070 4.243 4.340 -0.044 0.000 0.317 497 R C -0.386 175.909 176.300 -0.010 0.000 0.941 497 R CA 0.707 56.794 56.100 -0.021 0.000 1.076 497 R CB 0.215 30.502 30.300 -0.022 0.000 0.917 497 R HN -0.023 nan 8.270 nan 0.000 0.407 498 K N 6.363 126.759 120.400 -0.006 0.000 2.606 498 K HA 0.231 4.525 4.320 -0.044 0.000 0.196 498 K C -2.106 174.500 176.600 0.010 0.000 1.048 498 K CA -1.665 54.624 56.287 0.003 0.000 1.017 498 K CB 1.718 34.221 32.500 0.006 0.000 1.413 498 K HN 0.410 nan 8.250 nan 0.000 0.568 499 P HA -0.145 nan 4.420 nan 0.000 0.269 499 P C 0.412 177.731 177.300 0.032 0.000 1.376 499 P CA 0.492 63.604 63.100 0.021 0.000 0.775 499 P CB 0.222 31.934 31.700 0.021 0.000 1.345 500 E N 0.913 121.130 120.200 0.029 0.000 2.042 500 E HA -0.108 4.215 4.350 -0.044 0.000 0.189 500 E C 1.668 178.292 176.600 0.041 0.000 0.974 500 E CA 1.100 57.521 56.400 0.035 0.000 0.806 500 E CB -1.261 28.456 29.700 0.030 0.000 0.769 500 E HN 0.255 nan 8.360 nan 0.000 0.451 501 L N -0.305 120.940 121.223 0.037 0.000 2.456 501 L HA 0.252 4.566 4.340 -0.044 0.000 0.224 501 L C 2.499 179.395 176.870 0.044 0.000 1.148 501 L CA 1.436 56.302 54.840 0.043 0.000 0.825 501 L CB -0.980 41.104 42.059 0.042 0.000 0.937 501 L HN 0.106 nan 8.230 nan 0.000 0.450 502 A N 0.930 123.773 122.820 0.039 0.000 1.865 502 A HA -0.219 4.075 4.320 -0.044 0.000 0.217 502 A C 2.259 179.875 177.584 0.053 0.000 1.191 502 A CA 2.056 54.117 52.037 0.040 0.000 0.623 502 A CB -0.621 18.405 19.000 0.043 0.000 0.826 502 A HN 0.599 nan 8.150 nan 0.000 0.444 503 E N 0.143 120.386 120.200 0.071 0.000 2.158 503 E HA 0.216 4.539 4.350 -0.044 0.000 0.191 503 E C 1.016 177.655 176.600 0.064 0.000 0.982 503 E CA 0.286 56.740 56.400 0.090 0.000 0.823 503 E CB -0.286 29.479 29.700 0.108 0.000 0.766 503 E HN 0.558 nan 8.360 nan 0.000 0.468 504 A N 3.178 126.034 122.820 0.060 0.000 2.526 504 A HA 0.085 4.379 4.320 -0.044 0.000 0.267 504 A C -2.138 175.487 177.584 0.069 0.000 1.095 504 A CA -1.019 51.054 52.037 0.061 0.000 0.775 504 A CB -0.461 18.574 19.000 0.059 0.000 1.036 504 A HN -0.064 nan 8.150 nan 0.000 0.510 505 P HA 0.097 nan 4.420 nan 0.000 0.269 505 P C -0.202 177.181 177.300 0.139 0.000 1.205 505 P CA 0.015 63.176 63.100 0.101 0.000 0.780 505 P CB 0.277 32.035 31.700 0.098 0.000 0.858 506 L N 3.371 124.713 121.223 0.197 0.000 2.483 506 L HA 0.124 4.438 4.340 -0.044 0.000 0.276 506 L C -1.363 175.511 176.870 0.008 0.000 1.213 506 L CA -1.282 53.631 54.840 0.122 0.000 0.843 506 L CB -0.580 41.505 42.059 0.042 0.000 1.107 506 L HN 0.347 nan 8.230 nan 0.000 0.487 507 P HA 0.030 nan 4.420 nan 0.000 0.231 507 P C -0.490 176.629 177.300 -0.302 0.000 1.756 507 P CA 0.006 62.973 63.100 -0.222 0.000 0.990 507 P CB -0.526 30.985 31.700 -0.314 0.000 1.973 508 F N 1.539 121.398 119.950 -0.151 0.000 2.572 508 F HA 0.209 4.711 4.527 -0.043 0.000 0.370 508 F C 1.479 177.216 175.800 -0.106 0.000 1.103 508 F CA -0.108 57.812 58.000 -0.132 0.000 1.286 508 F CB 0.504 39.447 39.000 -0.095 0.000 1.105 508 F HN 0.178 nan 8.300 nan 0.000 0.583 509 A N 4.106 126.968 122.820 0.070 0.000 2.328 509 A HA 0.271 4.565 4.320 -0.044 0.000 0.284 509 A C 0.122 177.732 177.584 0.044 0.000 1.160 509 A CA -0.778 51.274 52.037 0.025 0.000 0.818 509 A CB 0.170 19.164 19.000 -0.009 0.000 1.087 509 A HN 0.679 nan 8.150 nan 0.000 0.504 510 E N 0.824 121.041 120.200 0.029 0.000 2.415 510 E HA 0.283 4.607 4.350 -0.044 0.000 0.262 510 E C -0.314 176.284 176.600 -0.002 0.000 1.038 510 E CA 0.246 56.656 56.400 0.016 0.000 0.921 510 E CB 1.053 30.765 29.700 0.021 0.000 0.950 510 E HN 0.388 nan 8.360 nan 0.000 0.438 511 V N 2.661 122.562 119.914 -0.021 0.000 3.019 511 V HA 0.369 4.463 4.120 -0.044 0.000 0.317 511 V C -0.074 175.981 176.094 -0.064 0.000 1.094 511 V CA -0.922 61.350 62.300 -0.047 0.000 1.000 511 V CB 1.618 33.411 31.823 -0.050 0.000 1.060 511 V HN 0.419 nan 8.190 nan 0.000 0.443 512 I N 1.601 122.113 120.570 -0.096 0.000 2.336 512 I HA 0.461 4.605 4.170 -0.044 0.000 0.292 512 I C 0.387 176.455 176.117 -0.081 0.000 0.991 512 I CA 0.566 61.806 61.300 -0.100 0.000 1.227 512 I CB 1.494 39.400 38.000 -0.156 0.000 1.366 512 I HN 0.568 nan 8.210 nan 0.000 0.466 513 S N 3.124 118.787 115.700 -0.062 0.000 2.651 513 S HA 0.919 5.363 4.470 -0.044 0.000 0.291 513 S C 0.066 174.637 174.600 -0.047 0.000 1.141 513 S CA -0.207 57.962 58.200 -0.052 0.000 1.027 513 S CB 1.274 64.450 63.200 -0.040 0.000 1.043 513 S HN 0.843 nan 8.310 nan 0.000 0.530 514 G N 1.411 110.186 108.800 -0.042 0.000 3.021 514 G HA2 0.540 4.473 3.960 -0.044 0.000 0.290 514 G HA3 0.540 4.473 3.960 -0.044 0.000 0.290 514 G C -2.110 172.774 174.900 -0.027 0.000 1.291 514 G CA -0.721 44.358 45.100 -0.035 0.000 0.834 514 G HN 0.520 nan 8.290 nan 0.000 0.564 515 P HA 0.086 nan 4.420 nan 0.000 0.217 515 P C 0.816 178.106 177.300 -0.018 0.000 1.154 515 P CA 1.038 64.127 63.100 -0.017 0.000 0.841 515 P CB 0.517 32.209 31.700 -0.013 0.000 0.788 516 E N -0.554 119.633 120.200 -0.020 0.000 2.437 516 E HA -0.003 4.321 4.350 -0.044 0.000 0.189 516 E C 0.315 176.898 176.600 -0.028 0.000 1.054 516 E CA -0.121 56.267 56.400 -0.020 0.000 0.874 516 E CB -0.273 29.416 29.700 -0.018 0.000 1.011 516 E HN 0.166 nan 8.360 nan 0.000 0.474 517 D N 0.255 120.635 120.400 -0.034 0.000 2.371 517 D HA -0.038 4.575 4.640 -0.044 0.000 0.234 517 D C 1.424 177.698 176.300 -0.043 0.000 1.049 517 D CA 0.545 54.518 54.000 -0.045 0.000 0.907 517 D CB 0.193 40.963 40.800 -0.050 0.000 0.891 517 D HN 0.046 nan 8.370 nan 0.000 0.531 518 R N -0.653 119.830 120.500 -0.029 0.000 2.243 518 R HA 0.196 4.510 4.340 -0.044 0.000 0.193 518 R C 1.900 178.192 176.300 -0.013 0.000 0.933 518 R CA -0.152 55.936 56.100 -0.020 0.000 1.105 518 R CB 0.470 30.764 30.300 -0.010 0.000 1.169 518 R HN -0.039 nan 8.270 nan 0.000 0.599 519 R N 0.756 121.251 120.500 -0.009 0.000 2.132 519 R HA -0.206 4.108 4.340 -0.044 0.000 0.233 519 R C 2.247 178.550 176.300 0.004 0.000 1.125 519 R CA 1.804 57.904 56.100 0.000 0.000 0.914 519 R CB -0.938 29.362 30.300 0.000 0.000 0.845 519 R HN 0.130 nan 8.270 nan 0.000 0.431 520 L N 1.149 122.367 121.223 -0.008 0.000 2.046 520 L HA -0.141 4.173 4.340 -0.044 0.000 0.208 520 L C 2.314 179.165 176.870 -0.033 0.000 1.077 520 L CA 1.411 56.243 54.840 -0.013 0.000 0.747 520 L CB -0.195 41.846 42.059 -0.030 0.000 0.896 520 L HN -0.008 nan 8.230 nan 0.000 0.432 521 V N -0.767 119.110 119.914 -0.061 0.000 2.594 521 V HA -0.249 3.845 4.120 -0.044 0.000 0.253 521 V C 2.333 178.389 176.094 -0.063 0.000 1.069 521 V CA 1.499 63.732 62.300 -0.111 0.000 1.082 521 V CB -0.500 31.251 31.823 -0.121 0.000 0.680 521 V HN 0.400 nan 8.190 nan 0.000 0.469 522 L N 0.361 121.583 121.223 -0.001 0.000 2.127 522 L HA 0.140 4.454 4.340 -0.044 0.000 0.203 522 L C 2.518 179.452 176.870 0.106 0.000 1.080 522 L CA 1.966 56.836 54.840 0.051 0.000 0.768 522 L CB -0.946 41.139 42.059 0.044 0.000 0.924 522 L HN 0.207 nan 8.230 nan 0.000 0.444 523 A N -0.562 122.319 122.820 0.102 0.000 1.892 523 A HA -0.299 3.995 4.320 -0.044 0.000 0.218 523 A C 2.278 180.066 177.584 0.339 0.000 1.188 523 A CA 2.491 54.639 52.037 0.185 0.000 0.631 523 A CB -0.625 18.468 19.000 0.154 0.000 0.822 523 A HN 0.496 nan 8.150 nan 0.000 0.447 524 M N -1.106 118.607 119.600 0.187 0.000 2.296 524 M HA -0.110 4.343 4.480 -0.044 0.000 0.265 524 M C 1.439 177.970 176.300 0.386 0.000 1.064 524 M CA 1.339 56.734 55.300 0.159 0.000 1.109 524 M CB -0.333 32.218 32.600 -0.082 0.000 1.396 524 M HN 0.288 nan 8.290 nan 0.000 0.430 525 D N 0.699 121.287 120.400 0.314 0.000 2.371 525 D HA -0.051 4.563 4.640 -0.044 0.000 0.221 525 D C 0.742 177.334 176.300 0.487 0.000 0.986 525 D CA 0.574 54.834 54.000 0.433 0.000 0.899 525 D CB 0.071 41.032 40.800 0.269 0.000 0.902 525 D HN 0.178 nan 8.370 nan 0.000 0.530 526 R N 0.696 121.504 120.500 0.513 0.000 4.980 526 R HA 0.007 4.320 4.340 -0.044 0.000 0.190 526 R C 1.136 177.785 176.300 0.583 0.000 2.095 526 R CA -0.401 55.968 56.100 0.448 0.000 1.717 526 R CB -0.036 30.420 30.300 0.260 0.000 1.337 526 R HN 0.161 nan 8.270 nan 0.000 0.820 527 I N 0.623 121.514 120.570 0.535 0.000 2.087 527 I HA -0.250 3.894 4.170 -0.044 0.000 0.240 527 I C 2.502 178.852 176.117 0.388 0.000 1.054 527 I CA 1.754 63.298 61.300 0.406 0.000 1.311 527 I CB -1.459 36.565 38.000 0.040 0.000 1.024 527 I HN 0.435 nan 8.210 nan 0.000 0.402 528 G N -0.356 108.657 108.800 0.356 0.000 2.507 528 G HA2 -0.342 3.592 3.960 -0.044 0.000 0.221 528 G HA3 -0.342 3.592 3.960 -0.044 0.000 0.221 528 G C 1.743 176.807 174.900 0.273 0.000 1.119 528 G CA 0.987 46.279 45.100 0.319 0.000 0.751 528 G HN 0.402 nan 8.290 nan 0.000 0.574 529 F N 0.085 120.066 119.950 0.053 0.000 2.098 529 F HA 0.058 4.559 4.527 -0.044 0.000 0.294 529 F C 2.359 178.082 175.800 -0.128 0.000 1.107 529 F CA 1.243 59.153 58.000 -0.150 0.000 1.234 529 F CB -0.281 38.467 39.000 -0.419 0.000 1.002 529 F HN 0.204 nan 8.300 nan 0.000 0.472 530 W N -0.640 120.756 121.300 0.159 0.000 2.388 530 W HA -0.107 4.526 4.660 -0.045 0.000 0.294 530 W C 2.430 178.971 176.519 0.037 0.000 1.212 530 W CA 1.067 58.436 57.345 0.040 0.000 1.271 530 W CB -1.035 28.551 29.460 0.210 0.000 1.126 530 W HN 0.096 nan 8.180 nan 0.000 0.535 531 F N 1.023 121.066 119.950 0.154 0.000 2.250 531 F HA -0.198 4.305 4.527 -0.041 0.000 0.301 531 F C 2.216 178.022 175.800 0.011 0.000 1.077 531 F CA 1.481 59.529 58.000 0.080 0.000 1.348 531 F CB -0.042 39.003 39.000 0.075 0.000 1.040 531 F HN -0.114 nan 8.300 nan 0.000 0.509 532 A N -1.009 121.746 122.820 -0.109 0.000 2.178 532 A HA 0.095 4.389 4.320 -0.044 0.000 0.211 532 A C 1.967 179.382 177.584 -0.281 0.000 1.157 532 A CA 0.881 52.776 52.037 -0.237 0.000 0.780 532 A CB -0.658 18.241 19.000 -0.167 0.000 0.828 532 A HN 0.240 nan 8.150 nan 0.000 0.476 533 V N -0.361 119.372 119.914 -0.302 0.000 2.379 533 V HA -0.114 3.980 4.120 -0.044 0.000 0.243 533 V C 3.002 179.038 176.094 -0.096 0.000 1.035 533 V CA 1.538 63.701 62.300 -0.228 0.000 1.035 533 V CB -1.047 30.663 31.823 -0.189 0.000 0.673 533 V HN 0.536 nan 8.190 nan 0.000 0.457 534 A N 0.558 123.352 122.820 -0.044 0.000 1.892 534 A HA -0.237 4.057 4.320 -0.044 0.000 0.218 534 A C 2.421 179.912 177.584 -0.155 0.000 1.188 534 A CA 2.571 54.581 52.037 -0.045 0.000 0.631 534 A CB -0.951 18.076 19.000 0.044 0.000 0.822 534 A HN 0.585 nan 8.150 nan 0.000 0.447 535 A N -0.521 122.135 122.820 -0.273 0.000 1.933 535 A HA -0.048 4.245 4.320 -0.044 0.000 0.218 535 A C 2.047 179.530 177.584 -0.169 0.000 1.175 535 A CA 1.582 53.456 52.037 -0.272 0.000 0.628 535 A CB -0.465 18.318 19.000 -0.363 0.000 0.814 535 A HN 0.422 nan 8.150 nan 0.000 0.444 536 I N -0.318 120.164 120.570 -0.147 0.000 2.226 536 I HA -0.201 3.943 4.170 -0.044 0.000 0.245 536 I C 2.437 178.507 176.117 -0.079 0.000 1.100 536 I CA 1.265 62.507 61.300 -0.098 0.000 1.374 536 I CB -1.128 36.818 38.000 -0.091 0.000 1.057 536 I HN 0.295 nan 8.210 nan 0.000 0.413 537 L N -0.411 120.761 121.223 -0.085 0.000 2.093 537 L HA -0.173 4.141 4.340 -0.044 0.000 0.208 537 L C 2.545 179.344 176.870 -0.119 0.000 1.085 537 L CA 0.683 55.478 54.840 -0.075 0.000 0.755 537 L CB -0.363 41.664 42.059 -0.054 0.000 0.904 537 L HN 0.001 nan 8.230 nan 0.000 0.435 538 V N -1.115 118.699 119.914 -0.167 0.000 2.307 538 V HA -0.256 3.838 4.120 -0.044 0.000 0.245 538 V C 2.381 178.357 176.094 -0.196 0.000 1.045 538 V CA 1.535 63.677 62.300 -0.262 0.000 1.024 538 V CB -0.286 31.309 31.823 -0.381 0.000 0.651 538 V HN 0.171 nan 8.190 nan 0.000 0.449 539 V N -0.158 119.684 119.914 -0.121 0.000 2.282 539 V HA -0.292 3.802 4.120 -0.044 0.000 0.249 539 V C 2.339 178.410 176.094 -0.038 0.000 1.057 539 V CA 2.157 64.428 62.300 -0.048 0.000 1.032 539 V CB -0.519 31.288 31.823 -0.025 0.000 0.645 539 V HN 0.445 nan 8.190 nan 0.000 0.447 540 L N -0.510 120.693 121.223 -0.033 0.000 2.083 540 L HA -0.144 4.169 4.340 -0.044 0.000 0.209 540 L C 2.561 179.435 176.870 0.006 0.000 1.083 540 L CA 1.624 56.477 54.840 0.021 0.000 0.752 540 L CB -0.635 41.451 42.059 0.044 0.000 0.899 540 L HN 0.403 nan 8.230 nan 0.000 0.433 541 A N -1.639 121.123 122.820 -0.096 0.000 1.943 541 A HA -0.114 4.180 4.320 -0.044 0.000 0.213 541 A C 1.811 179.088 177.584 -0.512 0.000 1.181 541 A CA 0.748 52.656 52.037 -0.215 0.000 0.653 541 A CB -0.375 18.446 19.000 -0.299 0.000 0.833 541 A HN 0.331 nan 8.150 nan 0.000 0.451 542 Y N -0.111 119.936 120.300 -0.423 0.000 2.497 542 Y HA 0.185 4.709 4.550 -0.043 0.000 0.265 542 Y C 2.463 178.219 175.900 -0.239 0.000 1.111 542 Y CA 0.087 57.945 58.100 -0.404 0.000 1.288 542 Y CB -0.106 38.087 38.460 -0.444 0.000 1.082 542 Y HN 0.336 nan 8.280 nan 0.000 0.536 543 G N 1.300 110.058 108.800 -0.069 0.000 2.524 543 G HA2 -0.217 3.717 3.960 -0.044 0.000 0.215 543 G HA3 -0.217 3.717 3.960 -0.044 0.000 0.215 543 G C -0.534 174.344 174.900 -0.037 0.000 1.239 543 G CA 0.897 46.001 45.100 0.006 0.000 0.798 543 G HN 0.210 nan 8.290 nan 0.000 0.557 544 P HA -0.088 nan 4.420 nan 0.000 0.217 544 P C 1.970 179.197 177.300 -0.121 0.000 1.151 544 P CA 2.126 65.186 63.100 -0.066 0.000 0.849 544 P CB -0.252 31.457 31.700 0.015 0.000 0.787 545 T N -1.245 113.115 114.554 -0.324 0.000 2.894 545 T HA 0.026 4.349 4.350 -0.044 0.000 0.258 545 T C 1.830 176.491 174.700 -0.064 0.000 1.043 545 T CA 0.707 62.673 62.100 -0.223 0.000 1.141 545 T CB -0.822 67.886 68.868 -0.267 0.000 0.873 545 T HN 0.043 nan 8.240 nan 0.000 0.449 546 L N 0.854 122.087 121.223 0.017 0.000 2.056 546 L HA -0.066 4.248 4.340 -0.044 0.000 0.207 546 L C 2.690 179.676 176.870 0.194 0.000 1.078 546 L CA 0.792 55.680 54.840 0.080 0.000 0.749 546 L CB -0.565 41.671 42.059 0.295 0.000 0.901 546 L HN 0.123 nan 8.230 nan 0.000 0.433 547 V N -0.582 119.477 119.914 0.241 0.000 2.287 547 V HA -0.347 3.747 4.120 -0.044 0.000 0.248 547 V C 2.532 178.754 176.094 0.214 0.000 1.053 547 V CA 1.723 64.188 62.300 0.274 0.000 1.027 547 V CB -0.504 31.423 31.823 0.173 0.000 0.646 547 V HN 0.499 nan 8.190 nan 0.000 0.447 548 Q N -0.574 119.290 119.800 0.107 0.000 2.045 548 Q HA -0.241 4.073 4.340 -0.044 0.000 0.206 548 Q C 2.281 178.302 176.000 0.036 0.000 0.991 548 Q CA 2.060 57.895 55.803 0.053 0.000 0.851 548 Q CB -0.317 28.402 28.738 -0.031 0.000 0.911 548 Q HN 0.588 nan 8.270 nan 0.000 0.418 549 L N -0.894 120.297 121.223 -0.052 0.000 2.141 549 L HA -0.140 4.174 4.340 -0.044 0.000 0.209 549 L C 2.247 179.081 176.870 -0.061 0.000 1.094 549 L CA 0.809 55.571 54.840 -0.130 0.000 0.763 549 L CB -0.481 41.413 42.059 -0.275 0.000 0.908 549 L HN 0.161 nan 8.230 nan 0.000 0.437 550 F N 0.352 120.365 119.950 0.105 0.000 2.186 550 F HA -0.093 4.408 4.527 -0.044 0.000 0.299 550 F C 2.397 178.280 175.800 0.138 0.000 1.090 550 F CA 0.958 59.033 58.000 0.125 0.000 1.307 550 F CB -0.493 38.577 39.000 0.118 0.000 1.019 550 F HN 0.064 nan 8.300 nan 0.000 0.489 551 G N -2.130 106.883 108.800 0.355 0.000 2.956 551 G HA2 -0.095 3.839 3.960 -0.044 0.000 0.207 551 G HA3 -0.095 3.839 3.960 -0.044 0.000 0.207 551 G C 0.024 175.044 174.900 0.200 0.000 1.162 551 G CA 0.332 45.596 45.100 0.274 0.000 0.796 551 G HN 0.427 nan 8.290 nan 0.000 0.527 552 H N -1.290 117.824 119.070 0.073 0.000 2.985 552 H HA 0.252 4.782 4.556 -0.044 0.000 0.246 552 H C 0.361 175.711 175.328 0.037 0.000 1.181 552 H CA -0.925 55.150 56.048 0.045 0.000 0.972 552 H CB -0.071 29.704 29.762 0.023 0.000 2.016 552 H HN 0.080 nan 8.280 nan 0.000 0.672 553 L N 1.746 123.064 121.223 0.157 0.000 2.667 553 L HA -0.087 4.227 4.340 -0.044 0.000 0.278 553 L C 0.460 177.383 176.870 0.087 0.000 1.217 553 L CA 0.492 55.402 54.840 0.117 0.000 0.935 553 L CB 0.142 42.310 42.059 0.182 0.000 1.193 553 L HN 0.329 nan 8.230 nan 0.000 0.493 554 N N 5.951 124.683 118.700 0.053 0.000 2.904 554 N HA 0.300 5.014 4.740 -0.044 0.000 0.257 554 N C -2.570 172.961 175.510 0.035 0.000 1.363 554 N CA -1.908 51.170 53.050 0.047 0.000 0.856 554 N CB 0.892 39.403 38.487 0.040 0.000 1.166 554 N HN 0.153 nan 8.380 nan 0.000 0.499 555 P HA 0.072 nan 4.420 nan 0.000 0.271 555 P C -0.568 176.776 177.300 0.073 0.000 1.216 555 P CA -0.217 62.910 63.100 0.046 0.000 0.776 555 P CB 1.080 32.829 31.700 0.081 0.000 0.881 556 V N -0.087 119.876 119.914 0.081 0.000 2.789 556 V HA 0.590 4.684 4.120 -0.044 0.000 0.311 556 V C -2.854 173.396 176.094 0.260 0.000 1.073 556 V CA -3.254 59.140 62.300 0.156 0.000 0.921 556 V CB 1.443 33.357 31.823 0.150 0.000 1.009 556 V HN 0.244 nan 8.190 nan 0.000 0.426 557 P HA 0.211 nan 4.420 nan 0.000 0.266 557 P C 0.558 178.086 177.300 0.380 0.000 1.193 557 P CA 0.823 64.077 63.100 0.256 0.000 0.770 557 P CB 0.318 32.065 31.700 0.079 0.000 0.836 558 G N 1.133 110.147 108.800 0.358 0.000 2.544 558 G HA2 0.292 4.226 3.960 -0.044 0.000 0.242 558 G HA3 0.292 4.226 3.960 -0.044 0.000 0.242 558 G C -1.436 173.506 174.900 0.070 0.000 1.247 558 G CA -0.275 45.064 45.100 0.398 0.000 0.840 558 G HN 0.420 nan 8.290 nan 0.000 0.578 559 W N -0.621 120.814 121.300 0.225 0.000 3.138 559 W HA 0.600 5.234 4.660 -0.044 0.000 0.331 559 W C 0.041 176.625 176.519 0.108 0.000 1.166 559 W CA -0.914 56.511 57.345 0.133 0.000 1.212 559 W CB 2.105 31.659 29.460 0.156 0.000 1.399 559 W HN 0.575 nan 8.180 nan 0.000 0.514 560 R N 3.037 123.644 120.500 0.178 0.000 2.538 560 R HA 0.654 4.968 4.340 -0.044 0.000 0.292 560 R C -1.408 174.787 176.300 -0.174 0.000 1.008 560 R CA -0.549 55.400 56.100 -0.252 0.000 0.896 560 R CB 0.987 30.831 30.300 -0.760 0.000 1.187 560 R HN 0.770 nan 8.270 nan 0.000 0.440 561 L N 4.792 125.995 121.223 -0.033 0.000 3.186 561 L HA 0.445 4.759 4.340 -0.044 0.000 0.317 561 L C -1.203 175.788 176.870 0.203 0.000 1.296 561 L CA -0.542 54.359 54.840 0.101 0.000 0.870 561 L CB 0.161 42.330 42.059 0.183 0.000 1.302 561 L HN 0.619 nan 8.230 nan 0.000 0.590 562 W N 0.000 121.340 121.300 0.067 0.000 2.388 562 W HA 0.000 4.634 4.660 -0.043 0.000 0.303 562 W CA 0.000 57.376 57.345 0.052 0.000 1.226 562 W CB 0.000 29.483 29.460 0.039 0.000 1.126 562 W HN 0.000 nan 8.180 nan 0.000 0.535