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 1qq7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKAVVFXAY GTLFDVQSVA DATERAYPGR GEYITQVWRQ KQLEYSWLRA DATA SEQUENCE LMGRYADFWS VTREALAYTL GTLGLEPDES FLADMAQAYN RLTPYPDAAQ DATA SEQUENCE CLAELAPLKR AILSNGAPDM LQALVANAGL TDSFDAVISV DAKRVFKPHP DATA SEQUENCE DSYALVEEVL GVTPAEVLFV SSNGFDVGGA KNFGFSVARV ARLSQEALAR DATA SEQUENCE ELVSGTIAPL TMFKALRMRE ETYAEAPDFV VPALGDLPRL VRGMA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.320 176.300 0.033 0.000 1.140 1 M CA 0.000 55.318 55.300 0.031 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 I N 4.320 124.908 120.570 0.030 0.000 2.581 2 I HA 0.050 4.226 4.170 0.011 0.000 0.285 2 I C 0.669 176.794 176.117 0.014 0.000 1.129 2 I CA 0.764 62.078 61.300 0.023 0.000 1.397 2 I CB 0.477 38.484 38.000 0.012 0.000 1.399 2 I HN 0.797 nan 8.210 nan 0.000 0.537 3 K N 4.356 124.766 120.400 0.017 0.000 2.391 3 K HA 0.398 4.724 4.320 0.011 0.000 0.197 3 K C 0.256 176.865 176.600 0.014 0.000 1.087 3 K CA 0.159 56.457 56.287 0.017 0.000 1.012 3 K CB 0.961 33.477 32.500 0.026 0.000 0.925 3 K HN 0.683 nan 8.250 nan 0.000 0.547 4 A N 0.915 123.736 122.820 0.002 0.000 2.549 4 A HA 0.562 4.889 4.320 0.011 0.000 0.297 4 A C -1.256 176.301 177.584 -0.044 0.000 1.061 4 A CA -0.592 51.444 52.037 -0.003 0.000 0.690 4 A CB 1.765 20.767 19.000 0.003 0.000 1.287 4 A HN -0.085 nan 8.150 nan 0.000 0.402 5 V N 2.240 122.134 119.914 -0.034 0.000 2.350 5 V HA 0.456 4.583 4.120 0.011 0.000 0.285 5 V C -0.446 175.557 176.094 -0.152 0.000 1.014 5 V CA -0.504 61.706 62.300 -0.150 0.000 0.831 5 V CB 1.233 32.982 31.823 -0.122 0.000 1.000 5 V HN 0.652 nan 8.190 nan 0.000 0.433 6 V N 5.958 125.686 119.914 -0.310 0.000 2.398 6 V HA 0.553 4.680 4.120 0.011 0.000 0.286 6 V C -0.321 175.427 176.094 -0.577 0.000 1.026 6 V CA -0.354 61.811 62.300 -0.225 0.000 0.868 6 V CB 1.267 33.023 31.823 -0.112 0.000 0.982 6 V HN 0.621 nan 8.190 nan 0.000 0.443 10 Y N 1.674 122.140 120.300 0.276 0.000 2.537 10 Y HA 0.405 4.962 4.550 0.011 0.000 0.339 10 Y C 1.676 177.740 175.900 0.274 0.000 1.066 10 Y CA 1.361 59.636 58.100 0.291 0.000 1.357 10 Y CB 0.381 39.014 38.460 0.290 0.000 1.175 10 Y HN 1.319 nan 8.280 nan 0.000 0.525 11 G N 1.906 110.957 108.800 0.418 0.000 2.241 11 G HA2 -0.321 3.645 3.960 0.011 0.000 0.244 11 G HA3 -0.321 3.645 3.960 0.011 0.000 0.244 11 G C 0.931 176.023 174.900 0.321 0.000 0.998 11 G CA 0.636 45.954 45.100 0.363 0.000 0.621 11 G HN 0.599 nan 8.290 nan 0.000 0.519 12 T N 0.024 114.732 114.554 0.256 0.000 3.156 12 T HA 0.343 4.699 4.350 0.011 0.000 0.236 12 T C 2.304 177.068 174.700 0.107 0.000 0.978 12 T CA 1.055 63.229 62.100 0.124 0.000 1.240 12 T CB -0.006 68.919 68.868 0.094 0.000 0.951 12 T HN 0.147 nan 8.240 nan 0.000 0.420 13 L N -0.520 120.721 121.223 0.029 0.000 2.307 13 L HA 0.340 4.686 4.340 0.011 0.000 0.211 13 L C -0.384 176.198 176.870 -0.481 0.000 1.099 13 L CA 0.568 55.229 54.840 -0.298 0.000 0.816 13 L CB 0.197 41.873 42.059 -0.639 0.000 0.952 13 L HN 0.159 nan 8.230 nan 0.000 0.455 14 F N -0.877 119.164 119.950 0.152 0.000 2.520 14 F HA 0.280 4.813 4.527 0.010 0.000 0.322 14 F C 0.023 175.796 175.800 -0.045 0.000 1.103 14 F CA -1.437 56.560 58.000 -0.006 0.000 0.926 14 F CB 1.039 40.016 39.000 -0.038 0.000 1.154 14 F HN -0.268 nan 8.300 nan 0.000 0.453 15 D N 2.220 122.495 120.400 -0.207 0.000 2.339 15 D HA 0.154 4.801 4.640 0.011 0.000 0.241 15 D C 0.999 177.225 176.300 -0.123 0.000 1.183 15 D CA -0.097 53.714 54.000 -0.316 0.000 0.859 15 D CB 1.464 41.892 40.800 -0.621 0.000 1.067 15 D HN 0.398 nan 8.370 nan 0.000 0.484 16 V N 2.154 122.052 119.914 -0.026 0.000 3.141 16 V HA -0.098 4.029 4.120 0.011 0.000 0.265 16 V C 1.547 177.536 176.094 -0.176 0.000 1.126 16 V CA 0.840 63.054 62.300 -0.143 0.000 1.141 16 V CB -0.323 31.509 31.823 0.015 0.000 0.743 16 V HN 0.398 nan 8.190 nan 0.000 0.492 17 Q N 1.916 121.659 119.800 -0.096 0.000 2.369 17 Q HA -0.010 4.337 4.340 0.011 0.000 0.206 17 Q C 2.359 178.301 176.000 -0.097 0.000 0.963 17 Q CA 1.497 57.255 55.803 -0.075 0.000 0.894 17 Q CB -0.186 28.537 28.738 -0.025 0.000 0.965 17 Q HN 0.935 nan 8.270 nan 0.000 0.475 18 S N -0.146 115.469 115.700 -0.142 0.000 2.660 18 S HA -0.016 4.461 4.470 0.011 0.000 0.223 18 S C 1.571 176.101 174.600 -0.117 0.000 0.963 18 S CA 0.480 58.607 58.200 -0.122 0.000 0.932 18 S CB -0.521 62.599 63.200 -0.134 0.000 0.775 18 S HN 0.219 nan 8.310 nan 0.000 0.531 19 V N -2.034 117.791 119.914 -0.147 0.000 3.646 19 V HA 0.484 4.611 4.120 0.011 0.000 0.277 19 V C 2.242 178.355 176.094 0.031 0.000 1.274 19 V CA 0.300 62.556 62.300 -0.073 0.000 1.164 19 V CB -1.454 30.302 31.823 -0.113 0.000 0.926 19 V HN 0.438 nan 8.190 nan 0.000 0.442 20 A N 1.298 124.122 122.820 0.006 0.000 1.903 20 A HA -0.267 4.059 4.320 0.011 0.000 0.219 20 A C 1.974 179.590 177.584 0.053 0.000 1.191 20 A CA 2.501 54.558 52.037 0.034 0.000 0.638 20 A CB -0.707 18.302 19.000 0.015 0.000 0.823 20 A HN 0.584 nan 8.150 nan 0.000 0.451 21 D N -0.526 119.897 120.400 0.039 0.000 2.234 21 D HA 0.097 4.743 4.640 0.011 0.000 0.205 21 D C 2.168 178.501 176.300 0.055 0.000 0.962 21 D CA 1.149 55.174 54.000 0.042 0.000 0.855 21 D CB -0.249 40.566 40.800 0.025 0.000 0.951 21 D HN 0.460 nan 8.370 nan 0.000 0.500 22 A N 1.006 123.866 122.820 0.068 0.000 1.897 22 A HA -0.137 4.190 4.320 0.011 0.000 0.215 22 A C 2.401 180.050 177.584 0.109 0.000 1.181 22 A CA 2.241 54.327 52.037 0.082 0.000 0.620 22 A CB -0.893 18.174 19.000 0.111 0.000 0.821 22 A HN 0.341 nan 8.150 nan 0.000 0.443 23 T N -2.170 112.472 114.554 0.147 0.000 2.904 23 T HA -0.120 4.236 4.350 0.011 0.000 0.267 23 T C 1.642 176.427 174.700 0.141 0.000 1.059 23 T CA 1.593 63.787 62.100 0.156 0.000 1.137 23 T CB -0.262 68.719 68.868 0.188 0.000 0.879 23 T HN 0.400 nan 8.240 nan 0.000 0.467 24 E N 1.475 121.745 120.200 0.117 0.000 2.265 24 E HA -0.059 4.298 4.350 0.011 0.000 0.196 24 E C 2.320 178.983 176.600 0.105 0.000 0.996 24 E CA 0.948 57.416 56.400 0.112 0.000 0.832 24 E CB -0.213 29.537 29.700 0.083 0.000 0.756 24 E HN 0.581 nan 8.360 nan 0.000 0.491 25 R N -0.519 120.035 120.500 0.091 0.000 2.100 25 R HA 0.162 4.509 4.340 0.011 0.000 0.220 25 R C 2.315 178.679 176.300 0.107 0.000 1.091 25 R CA 0.833 56.978 56.100 0.075 0.000 0.986 25 R CB -0.252 30.078 30.300 0.050 0.000 0.888 25 R HN 0.175 nan 8.270 nan 0.000 0.444 26 A N 0.321 123.233 122.820 0.153 0.000 2.024 26 A HA -0.165 4.162 4.320 0.011 0.000 0.220 26 A C 0.249 177.974 177.584 0.234 0.000 1.164 26 A CA 1.090 53.271 52.037 0.239 0.000 0.643 26 A CB -0.051 19.099 19.000 0.249 0.000 0.806 26 A HN 0.414 nan 8.150 nan 0.000 0.451 27 Y N -1.425 118.917 120.300 0.069 0.000 2.299 27 Y HA 0.342 4.898 4.550 0.010 0.000 0.327 27 Y C -3.059 172.867 175.900 0.044 0.000 1.187 27 Y CA -2.838 55.289 58.100 0.044 0.000 1.378 27 Y CB 0.918 39.400 38.460 0.037 0.000 1.205 27 Y HN -0.034 nan 8.280 nan 0.000 0.441 28 P HA 0.202 nan 4.420 nan 0.000 0.262 28 P C 0.762 178.175 177.300 0.188 0.000 1.182 28 P CA 2.683 65.849 63.100 0.109 0.000 0.761 28 P CB 0.723 32.435 31.700 0.021 0.000 0.795 29 G N 3.039 111.933 108.800 0.156 0.000 2.217 29 G HA2 -0.233 3.734 3.960 0.011 0.000 0.246 29 G HA3 -0.233 3.734 3.960 0.011 0.000 0.246 29 G C 0.907 175.896 174.900 0.148 0.000 0.990 29 G CA -0.312 44.875 45.100 0.145 0.000 0.627 29 G HN 0.509 nan 8.290 nan 0.000 0.522 30 R N 0.450 121.066 120.500 0.193 0.000 2.600 30 R HA 0.311 4.657 4.340 0.011 0.000 0.392 30 R C 2.094 178.491 176.300 0.162 0.000 1.032 30 R CA 0.731 56.908 56.100 0.129 0.000 1.139 30 R CB 0.011 30.277 30.300 -0.056 0.000 1.400 30 R HN 0.383 nan 8.270 nan 0.000 0.566 31 G N 1.236 110.125 108.800 0.148 0.000 2.446 31 G HA2 -0.310 3.656 3.960 0.011 0.000 0.217 31 G HA3 -0.310 3.656 3.960 0.011 0.000 0.217 31 G C 1.262 176.222 174.900 0.100 0.000 1.168 31 G CA 0.817 45.993 45.100 0.126 0.000 0.771 31 G HN 0.397 nan 8.290 nan 0.000 0.551 32 E N -0.610 119.648 120.200 0.096 0.000 2.058 32 E HA -0.238 4.119 4.350 0.011 0.000 0.194 32 E C 2.110 178.734 176.600 0.040 0.000 0.997 32 E CA 1.165 57.605 56.400 0.067 0.000 0.801 32 E CB -0.376 29.376 29.700 0.087 0.000 0.746 32 E HN 0.508 nan 8.360 nan 0.000 0.450 33 Y N 1.341 121.637 120.300 -0.008 0.000 2.097 33 Y HA -0.228 4.329 4.550 0.012 0.000 0.282 33 Y C 2.063 177.925 175.900 -0.063 0.000 1.152 33 Y CA 2.118 60.205 58.100 -0.023 0.000 1.136 33 Y CB -0.348 38.103 38.460 -0.016 0.000 0.975 33 Y HN 0.038 nan 8.280 nan 0.000 0.498 34 I N -0.569 119.942 120.570 -0.099 0.000 2.179 34 I HA -0.354 3.822 4.170 0.011 0.000 0.242 34 I C 2.280 178.357 176.117 -0.067 0.000 1.088 34 I CA 1.872 63.093 61.300 -0.133 0.000 1.357 34 I CB -0.838 37.189 38.000 0.045 0.000 1.051 34 I HN 0.234 nan 8.210 nan 0.000 0.409 35 T N 0.336 114.888 114.554 -0.004 0.000 2.665 35 T HA -0.228 4.129 4.350 0.011 0.000 0.268 35 T C 1.895 176.495 174.700 -0.167 0.000 1.035 35 T CA 1.373 63.482 62.100 0.015 0.000 1.151 35 T CB -0.179 68.677 68.868 -0.019 0.000 0.862 35 T HN 0.323 nan 8.240 nan 0.000 0.438 36 Q N 0.329 119.859 119.800 -0.451 0.000 2.049 36 Q HA 0.064 4.411 4.340 0.011 0.000 0.198 36 Q C 2.711 178.158 176.000 -0.922 0.000 0.971 36 Q CA 0.867 56.105 55.803 -0.942 0.000 0.833 36 Q CB -1.027 26.585 28.738 -1.878 0.000 0.896 36 Q HN 0.414 nan 8.270 nan 0.000 0.434 37 V N 0.215 119.676 119.914 -0.755 0.000 2.515 37 V HA -0.186 3.940 4.120 0.011 0.000 0.250 37 V C 1.919 177.921 176.094 -0.152 0.000 1.058 37 V CA 1.333 63.428 62.300 -0.343 0.000 1.064 37 V CB -0.609 30.968 31.823 -0.410 0.000 0.675 37 V HN 0.382 nan 8.190 nan 0.000 0.461 38 W N 1.820 122.916 121.300 -0.339 0.000 2.333 38 W HA -0.205 4.460 4.660 0.009 0.000 0.316 38 W C 2.697 179.020 176.519 -0.327 0.000 1.215 38 W CA 2.226 59.400 57.345 -0.286 0.000 1.278 38 W CB -0.652 28.700 29.460 -0.180 0.000 1.154 38 W HN 0.161 nan 8.180 nan 0.000 0.486 39 R N 0.928 121.349 120.500 -0.130 0.000 2.073 39 R HA -0.217 4.130 4.340 0.011 0.000 0.234 39 R C 2.235 178.404 176.300 -0.219 0.000 1.134 39 R CA 2.406 58.376 56.100 -0.216 0.000 0.952 39 R CB -1.335 28.906 30.300 -0.098 0.000 0.850 39 R HN 0.220 nan 8.270 nan 0.000 0.433 40 Q N 0.517 120.225 119.800 -0.153 0.000 2.030 40 Q HA -0.113 4.234 4.340 0.011 0.000 0.204 40 Q C 1.584 177.388 176.000 -0.327 0.000 0.986 40 Q CA 1.966 57.700 55.803 -0.115 0.000 0.843 40 Q CB -0.092 28.717 28.738 0.119 0.000 0.904 40 Q HN 0.138 nan 8.270 nan 0.000 0.420 41 K N 0.164 120.319 120.400 -0.409 0.000 2.148 41 K HA -0.138 4.189 4.320 0.011 0.000 0.204 41 K C 1.984 178.027 176.600 -0.929 0.000 1.050 41 K CA 1.236 57.059 56.287 -0.773 0.000 0.942 41 K CB -0.195 31.772 32.500 -0.888 0.000 0.724 41 K HN 0.514 nan 8.250 nan 0.000 0.446 42 Q N 0.823 120.231 119.800 -0.653 0.000 2.061 42 Q HA -0.129 4.217 4.340 0.011 0.000 0.204 42 Q C 2.170 177.764 176.000 -0.677 0.000 0.984 42 Q CA 1.207 56.603 55.803 -0.678 0.000 0.846 42 Q CB -0.028 28.277 28.738 -0.722 0.000 0.902 42 Q HN 0.228 nan 8.270 nan 0.000 0.421 43 L N 0.427 121.239 121.223 -0.685 0.000 1.994 43 L HA -0.206 4.141 4.340 0.011 0.000 0.208 43 L C 2.466 178.395 176.870 -1.568 0.000 1.071 43 L CA 1.576 55.775 54.840 -1.070 0.000 0.745 43 L CB -0.505 40.940 42.059 -1.024 0.000 0.892 43 L HN 0.314 nan 8.230 nan 0.000 0.431 44 E N -0.625 118.924 120.200 -1.085 0.000 2.097 44 E HA -0.256 4.100 4.350 0.011 0.000 0.196 44 E C 2.171 178.644 176.600 -0.210 0.000 1.000 44 E CA 1.511 57.576 56.400 -0.558 0.000 0.804 44 E CB -0.145 29.410 29.700 -0.242 0.000 0.740 44 E HN 0.431 nan 8.360 nan 0.000 0.454 45 Y N 0.729 120.747 120.300 -0.470 0.000 2.293 45 Y HA -0.152 4.405 4.550 0.012 0.000 0.291 45 Y C 2.832 178.519 175.900 -0.355 0.000 1.137 45 Y CA 1.069 58.959 58.100 -0.350 0.000 1.202 45 Y CB -1.000 37.242 38.460 -0.363 0.000 0.990 45 Y HN 0.088 nan 8.280 nan 0.000 0.537 46 S N -0.970 114.475 115.700 -0.424 0.000 2.368 46 S HA -0.169 4.308 4.470 0.011 0.000 0.224 46 S C 1.858 176.446 174.600 -0.019 0.000 1.029 46 S CA 1.076 58.899 58.200 -0.627 0.000 0.988 46 S CB -0.817 61.831 63.200 -0.920 0.000 0.838 46 S HN 0.413 nan 8.310 nan 0.000 0.462 47 W N 1.667 122.953 121.300 -0.023 0.000 2.379 47 W HA 0.244 4.910 4.660 0.010 0.000 0.307 47 W C 2.306 178.874 176.519 0.081 0.000 1.200 47 W CA -0.102 57.274 57.345 0.051 0.000 1.297 47 W CB -1.341 28.100 29.460 -0.032 0.000 1.140 47 W HN 0.336 nan 8.180 nan 0.000 0.507 48 L N -0.154 121.220 121.223 0.252 0.000 2.072 48 L HA -0.096 4.251 4.340 0.011 0.000 0.205 48 L C 2.735 179.674 176.870 0.116 0.000 1.079 48 L CA 1.159 56.089 54.840 0.151 0.000 0.752 48 L CB -0.805 41.300 42.059 0.076 0.000 0.906 48 L HN -0.131 nan 8.230 nan 0.000 0.436 49 R N -0.026 120.537 120.500 0.106 0.000 2.081 49 R HA -0.160 4.186 4.340 0.011 0.000 0.235 49 R C 2.422 178.855 176.300 0.222 0.000 1.131 49 R CA 1.469 57.643 56.100 0.124 0.000 0.960 49 R CB -0.441 29.932 30.300 0.122 0.000 0.856 49 R HN 0.364 nan 8.270 nan 0.000 0.436 50 A N 0.961 123.988 122.820 0.346 0.000 1.877 50 A HA -0.160 4.166 4.320 0.011 0.000 0.216 50 A C 2.028 179.762 177.584 0.250 0.000 1.186 50 A CA 1.054 53.303 52.037 0.353 0.000 0.620 50 A CB -0.512 18.773 19.000 0.475 0.000 0.822 50 A HN 0.224 nan 8.150 nan 0.000 0.443 51 L N -1.001 120.359 121.223 0.228 0.000 2.131 51 L HA -0.001 4.345 4.340 0.011 0.000 0.210 51 L C 2.373 179.314 176.870 0.117 0.000 1.092 51 L CA 2.095 57.032 54.840 0.162 0.000 0.759 51 L CB -0.407 41.733 42.059 0.135 0.000 0.903 51 L HN 0.521 nan 8.230 nan 0.000 0.435 52 M N -1.358 118.307 119.600 0.109 0.000 2.562 52 M HA 0.138 4.624 4.480 0.011 0.000 0.257 52 M C 1.153 177.499 176.300 0.076 0.000 1.099 52 M CA 0.921 56.266 55.300 0.074 0.000 1.099 52 M CB -0.016 32.615 32.600 0.052 0.000 1.427 52 M HN 0.391 nan 8.290 nan 0.000 0.489 53 G N 1.566 110.428 108.800 0.104 0.000 2.160 53 G HA2 -0.218 3.748 3.960 0.011 0.000 0.244 53 G HA3 -0.218 3.748 3.960 0.011 0.000 0.244 53 G C -0.329 174.627 174.900 0.093 0.000 1.022 53 G CA -0.156 45.000 45.100 0.094 0.000 0.741 53 G HN 0.413 nan 8.290 nan 0.000 0.508 54 R N -0.498 120.068 120.500 0.111 0.000 2.835 54 R HA 0.254 4.600 4.340 0.011 0.000 0.290 54 R C -0.091 176.291 176.300 0.137 0.000 1.410 54 R CA -1.037 55.121 56.100 0.097 0.000 1.590 54 R CB -0.123 30.206 30.300 0.047 0.000 1.288 54 R HN 0.457 nan 8.270 nan 0.000 0.637 55 Y N 0.955 121.283 120.300 0.046 0.000 2.597 55 Y HA 0.286 4.843 4.550 0.011 0.000 0.336 55 Y C -0.270 175.672 175.900 0.071 0.000 1.216 55 Y CA -0.075 58.057 58.100 0.055 0.000 1.463 55 Y CB 0.766 39.188 38.460 -0.064 0.000 1.303 55 Y HN 0.483 nan 8.280 nan 0.000 0.576 56 A N 5.052 127.523 122.820 -0.582 0.000 2.515 56 A HA 0.438 4.764 4.320 0.011 0.000 0.298 56 A C -1.186 175.990 177.584 -0.680 0.000 1.059 56 A CA -0.648 51.141 52.037 -0.413 0.000 0.698 56 A CB 0.714 19.633 19.000 -0.135 0.000 1.289 56 A HN 0.823 nan 8.150 nan 0.000 0.404 57 D N 0.089 120.325 120.400 -0.273 0.000 2.369 57 D HA 0.102 4.749 4.640 0.011 0.000 0.241 57 D C 0.509 177.003 176.300 0.323 0.000 1.271 57 D CA -0.340 53.690 54.000 0.051 0.000 0.942 57 D CB 0.144 41.106 40.800 0.269 0.000 1.129 57 D HN 0.287 nan 8.370 nan 0.000 0.476 58 F N -0.600 119.554 119.950 0.340 0.000 2.408 58 F HA 0.002 4.535 4.527 0.011 0.000 0.300 58 F C 1.679 177.566 175.800 0.145 0.000 1.090 58 F CA 0.505 58.629 58.000 0.206 0.000 1.427 58 F CB -0.133 39.020 39.000 0.254 0.000 1.070 58 F HN 0.572 nan 8.300 nan 0.000 0.549 59 W N -0.132 121.230 121.300 0.103 0.000 2.409 59 W HA -0.183 4.484 4.660 0.011 0.000 0.299 59 W C 2.132 178.617 176.519 -0.056 0.000 1.203 59 W CA 1.416 58.766 57.345 0.008 0.000 1.298 59 W CB -0.294 29.203 29.460 0.062 0.000 1.127 59 W HN -0.125 nan 8.180 nan 0.000 0.528 60 S N 0.759 116.418 115.700 -0.068 0.000 2.355 60 S HA -0.184 4.292 4.470 0.011 0.000 0.222 60 S C 1.765 176.211 174.600 -0.258 0.000 1.031 60 S CA 1.561 59.643 58.200 -0.196 0.000 0.993 60 S CB -0.767 62.387 63.200 -0.076 0.000 0.859 60 S HN 0.103 nan 8.310 nan 0.000 0.453 61 V N 1.860 121.624 119.914 -0.251 0.000 2.287 61 V HA -0.219 3.907 4.120 0.011 0.000 0.248 61 V C 2.532 178.346 176.094 -0.467 0.000 1.053 61 V CA 2.195 64.289 62.300 -0.343 0.000 1.027 61 V CB -1.344 30.174 31.823 -0.509 0.000 0.646 61 V HN 0.516 nan 8.190 nan 0.000 0.447 62 T N -0.548 113.614 114.554 -0.654 0.000 2.746 62 T HA -0.202 4.155 4.350 0.011 0.000 0.267 62 T C 2.064 176.585 174.700 -0.297 0.000 1.039 62 T CA 1.572 63.316 62.100 -0.593 0.000 1.142 62 T CB -0.228 68.252 68.868 -0.647 0.000 0.866 62 T HN 0.436 nan 8.240 nan 0.000 0.444 63 R N 0.736 120.962 120.500 -0.457 0.000 2.090 63 R HA -0.004 4.343 4.340 0.011 0.000 0.228 63 R C 2.557 178.711 176.300 -0.244 0.000 1.110 63 R CA 1.147 57.006 56.100 -0.402 0.000 0.973 63 R CB -0.120 29.860 30.300 -0.533 0.000 0.869 63 R HN 0.542 nan 8.270 nan 0.000 0.440 64 E N 0.610 120.704 120.200 -0.176 0.000 2.077 64 E HA -0.165 4.191 4.350 0.011 0.000 0.193 64 E C 2.024 178.665 176.600 0.067 0.000 0.989 64 E CA 1.184 57.568 56.400 -0.026 0.000 0.800 64 E CB -0.101 29.610 29.700 0.018 0.000 0.746 64 E HN 0.340 nan 8.360 nan 0.000 0.452 65 A N 1.249 124.035 122.820 -0.057 0.000 1.930 65 A HA -0.145 4.182 4.320 0.011 0.000 0.217 65 A C 2.166 179.615 177.584 -0.226 0.000 1.175 65 A CA 0.916 52.809 52.037 -0.239 0.000 0.627 65 A CB -0.439 18.358 19.000 -0.338 0.000 0.815 65 A HN 0.214 nan 8.150 nan 0.000 0.443 66 L N -0.228 120.743 121.223 -0.420 0.000 2.056 66 L HA -0.018 4.329 4.340 0.011 0.000 0.207 66 L C 2.642 179.268 176.870 -0.405 0.000 1.078 66 L CA 2.123 56.459 54.840 -0.840 0.000 0.749 66 L CB -0.814 40.624 42.059 -1.035 0.000 0.901 66 L HN 0.327 nan 8.230 nan 0.000 0.433 67 A N -1.256 121.427 122.820 -0.227 0.000 1.902 67 A HA -0.302 4.025 4.320 0.011 0.000 0.217 67 A C 2.319 179.859 177.584 -0.074 0.000 1.181 67 A CA 1.913 53.870 52.037 -0.134 0.000 0.623 67 A CB -1.272 17.678 19.000 -0.084 0.000 0.818 67 A HN 0.643 nan 8.150 nan 0.000 0.443 68 Y N 1.322 121.556 120.300 -0.110 0.000 2.128 68 Y HA -0.219 4.337 4.550 0.010 0.000 0.284 68 Y C 2.675 178.518 175.900 -0.094 0.000 1.154 68 Y CA 2.474 60.538 58.100 -0.059 0.000 1.149 68 Y CB -0.777 37.685 38.460 0.003 0.000 0.976 68 Y HN 0.316 nan 8.280 nan 0.000 0.505 69 T N 1.399 115.984 114.554 0.053 0.000 2.684 69 T HA -0.205 4.152 4.350 0.011 0.000 0.267 69 T C 2.006 176.653 174.700 -0.089 0.000 1.036 69 T CA 1.965 64.051 62.100 -0.023 0.000 1.148 69 T CB -0.590 68.198 68.868 -0.133 0.000 0.863 69 T HN 0.329 nan 8.240 nan 0.000 0.436 70 L N 0.650 121.784 121.223 -0.148 0.000 2.141 70 L HA 0.048 4.395 4.340 0.011 0.000 0.209 70 L C 3.018 179.808 176.870 -0.135 0.000 1.094 70 L CA 1.074 55.840 54.840 -0.123 0.000 0.763 70 L CB -1.005 40.959 42.059 -0.158 0.000 0.908 70 L HN 0.357 nan 8.230 nan 0.000 0.437 71 G N 0.272 108.964 108.800 -0.180 0.000 2.442 71 G HA2 -0.304 3.663 3.960 0.011 0.000 0.219 71 G HA3 -0.304 3.663 3.960 0.011 0.000 0.219 71 G C 1.714 176.489 174.900 -0.209 0.000 1.141 71 G CA 1.369 46.350 45.100 -0.199 0.000 0.763 71 G HN 0.459 nan 8.290 nan 0.000 0.554 72 T N -0.331 114.076 114.554 -0.244 0.000 2.881 72 T HA 0.014 4.370 4.350 0.011 0.000 0.270 72 T C 2.232 176.848 174.700 -0.139 0.000 1.068 72 T CA 0.947 62.937 62.100 -0.184 0.000 1.131 72 T CB -0.241 68.585 68.868 -0.069 0.000 0.871 72 T HN 0.206 nan 8.240 nan 0.000 0.479 73 L N 0.509 121.650 121.223 -0.137 0.000 2.599 73 L HA 0.360 4.706 4.340 0.011 0.000 0.230 73 L C 2.084 178.903 176.870 -0.086 0.000 1.141 73 L CA 0.480 55.204 54.840 -0.193 0.000 0.877 73 L CB -0.422 41.446 42.059 -0.320 0.000 1.009 73 L HN 0.639 nan 8.230 nan 0.000 0.447 74 G N 0.017 108.768 108.800 -0.081 0.000 2.157 74 G HA2 -0.231 3.736 3.960 0.011 0.000 0.239 74 G HA3 -0.231 3.736 3.960 0.011 0.000 0.239 74 G C 0.170 175.042 174.900 -0.048 0.000 0.982 74 G CA -0.326 44.741 45.100 -0.054 0.000 0.650 74 G HN 0.184 nan 8.290 nan 0.000 0.527 75 L N 0.171 121.359 121.223 -0.058 0.000 2.421 75 L HA 0.649 4.996 4.340 0.011 0.000 0.263 75 L C 0.332 177.119 176.870 -0.139 0.000 1.122 75 L CA -0.606 54.178 54.840 -0.095 0.000 0.804 75 L CB 0.849 42.845 42.059 -0.104 0.000 1.150 75 L HN -0.042 nan 8.230 nan 0.000 0.457 76 E N 1.911 122.009 120.200 -0.169 0.000 3.935 76 E HA 0.251 4.608 4.350 0.011 0.000 0.226 76 E C -2.294 174.179 176.600 -0.212 0.000 1.220 76 E CA -1.319 54.984 56.400 -0.161 0.000 1.226 76 E CB 0.486 30.117 29.700 -0.115 0.000 1.237 76 E HN 0.430 nan 8.360 nan 0.000 0.417 77 P HA 0.063 nan 4.420 nan 0.000 0.268 77 P C -0.221 176.977 177.300 -0.171 0.000 1.205 77 P CA -0.152 62.700 63.100 -0.412 0.000 0.771 77 P CB 0.978 32.264 31.700 -0.690 0.000 0.858 78 D N 0.418 120.770 120.400 -0.081 0.000 2.383 78 D HA 0.022 4.669 4.640 0.011 0.000 0.248 78 D C 1.071 177.398 176.300 0.046 0.000 1.170 78 D CA -0.485 53.510 54.000 -0.008 0.000 0.977 78 D CB 0.472 41.279 40.800 0.012 0.000 1.120 78 D HN 0.285 nan 8.370 nan 0.000 0.481 79 E N 0.236 120.453 120.200 0.028 0.000 2.097 79 E HA -0.258 4.099 4.350 0.011 0.000 0.196 79 E C 1.819 178.459 176.600 0.068 0.000 1.000 79 E CA 1.909 58.327 56.400 0.030 0.000 0.804 79 E CB -0.609 29.103 29.700 0.019 0.000 0.740 79 E HN 0.402 nan 8.360 nan 0.000 0.454 80 S N -1.222 114.527 115.700 0.082 0.000 2.359 80 S HA -0.184 4.293 4.470 0.011 0.000 0.224 80 S C 1.853 176.521 174.600 0.114 0.000 1.035 80 S CA 1.354 59.609 58.200 0.091 0.000 1.018 80 S CB -0.694 62.554 63.200 0.080 0.000 0.876 80 S HN 0.468 nan 8.310 nan 0.000 0.448 81 F N 1.870 121.813 119.950 -0.012 0.000 2.134 81 F HA 0.051 4.584 4.527 0.010 0.000 0.299 81 F C 1.825 177.601 175.800 -0.040 0.000 1.097 81 F CA 1.391 59.377 58.000 -0.022 0.000 1.264 81 F CB -0.449 38.528 39.000 -0.038 0.000 1.001 81 F HN 0.208 nan 8.300 nan 0.000 0.479 82 L N -0.123 121.268 121.223 0.280 0.000 2.027 82 L HA -0.170 4.176 4.340 0.011 0.000 0.206 82 L C 2.827 179.680 176.870 -0.028 0.000 1.074 82 L CA 1.236 56.134 54.840 0.098 0.000 0.745 82 L CB -1.263 40.792 42.059 -0.007 0.000 0.898 82 L HN 0.217 nan 8.230 nan 0.000 0.433 83 A N -0.426 122.405 122.820 0.019 0.000 1.933 83 A HA -0.271 4.056 4.320 0.011 0.000 0.218 83 A C 2.045 179.755 177.584 0.209 0.000 1.175 83 A CA 2.021 54.139 52.037 0.134 0.000 0.628 83 A CB -0.551 18.578 19.000 0.216 0.000 0.814 83 A HN 0.454 nan 8.150 nan 0.000 0.444 84 D N -0.532 119.905 120.400 0.063 0.000 2.077 84 D HA -0.176 4.471 4.640 0.011 0.000 0.196 84 D C 1.986 178.280 176.300 -0.010 0.000 0.986 84 D CA 1.780 55.782 54.000 0.002 0.000 0.829 84 D CB -0.326 40.397 40.800 -0.128 0.000 0.983 84 D HN 0.422 nan 8.370 nan 0.000 0.453 85 M N 0.143 119.652 119.600 -0.152 0.000 2.159 85 M HA -0.099 4.388 4.480 0.011 0.000 0.263 85 M C 1.971 178.376 176.300 0.174 0.000 1.063 85 M CA 1.634 56.875 55.300 -0.098 0.000 1.110 85 M CB -0.000 32.430 32.600 -0.283 0.000 1.374 85 M HN 0.059 nan 8.290 nan 0.000 0.411 86 A N -0.152 122.783 122.820 0.191 0.000 2.125 86 A HA -0.160 4.167 4.320 0.011 0.000 0.219 86 A C 1.858 179.789 177.584 0.579 0.000 1.156 86 A CA 1.080 53.362 52.037 0.408 0.000 0.671 86 A CB -0.608 18.345 19.000 -0.078 0.000 0.794 86 A HN 0.601 nan 8.150 nan 0.000 0.459 87 Q N -0.497 119.601 119.800 0.497 0.000 2.297 87 Q HA -0.137 4.209 4.340 0.011 0.000 0.208 87 Q C 2.279 178.436 176.000 0.262 0.000 0.981 87 Q CA 1.204 57.233 55.803 0.378 0.000 0.876 87 Q CB -0.627 28.237 28.738 0.209 0.000 0.921 87 Q HN 0.713 nan 8.270 nan 0.000 0.446 88 A N -0.414 122.570 122.820 0.273 0.000 2.024 88 A HA -0.203 4.124 4.320 0.011 0.000 0.220 88 A C 1.613 179.221 177.584 0.040 0.000 1.164 88 A CA 1.089 53.219 52.037 0.154 0.000 0.643 88 A CB -0.684 18.443 19.000 0.211 0.000 0.806 88 A HN 0.351 nan 8.150 nan 0.000 0.451 89 Y N 0.305 120.630 120.300 0.042 0.000 2.571 89 Y HA -0.020 4.536 4.550 0.010 0.000 0.294 89 Y C 1.474 177.411 175.900 0.062 0.000 1.141 89 Y CA 1.076 59.154 58.100 -0.038 0.000 1.308 89 Y CB 0.185 38.560 38.460 -0.143 0.000 1.002 89 Y HN 0.344 nan 8.280 nan 0.000 0.551 90 N N -0.392 118.405 118.700 0.162 0.000 2.270 90 N HA 0.084 4.831 4.740 0.011 0.000 0.198 90 N C 0.656 176.147 175.510 -0.032 0.000 1.117 90 N CA 0.361 53.444 53.050 0.053 0.000 0.845 90 N CB 0.230 38.731 38.487 0.024 0.000 0.980 90 N HN 0.369 nan 8.380 nan 0.000 0.486 91 R N -0.014 120.464 120.500 -0.036 0.000 2.565 91 R HA 0.304 4.650 4.340 0.011 0.000 0.347 91 R C -0.053 176.207 176.300 -0.067 0.000 1.010 91 R CA -0.284 55.788 56.100 -0.046 0.000 1.126 91 R CB 0.776 31.065 30.300 -0.019 0.000 1.331 91 R HN 0.021 nan 8.270 nan 0.000 0.552 92 L N 2.623 123.778 121.223 -0.113 0.000 2.559 92 L HA -0.013 4.334 4.340 0.011 0.000 0.282 92 L C 0.915 177.810 176.870 0.042 0.000 1.232 92 L CA 0.572 55.357 54.840 -0.092 0.000 0.885 92 L CB 0.108 42.115 42.059 -0.088 0.000 1.131 92 L HN 0.165 nan 8.230 nan 0.000 0.498 93 T N 1.627 116.178 114.554 -0.004 0.000 2.851 93 T HA 0.308 4.664 4.350 0.011 0.000 0.298 93 T C -2.161 172.545 174.700 0.010 0.000 0.977 93 T CA -1.608 60.495 62.100 0.005 0.000 1.126 93 T CB 0.869 69.694 68.868 -0.071 0.000 0.916 93 T HN 0.392 nan 8.240 nan 0.000 0.529 94 P HA 0.126 nan 4.420 nan 0.000 0.272 94 P C -0.578 176.609 177.300 -0.189 0.000 1.223 94 P CA -0.589 62.419 63.100 -0.153 0.000 0.784 94 P CB 0.375 31.986 31.700 -0.147 0.000 0.923 95 Y N 2.981 123.186 120.300 -0.159 0.000 2.712 95 Y HA -0.029 4.527 4.550 0.010 0.000 0.333 95 Y C -0.336 175.508 175.900 -0.094 0.000 1.225 95 Y CA -0.762 57.279 58.100 -0.098 0.000 1.499 95 Y CB -0.603 37.799 38.460 -0.096 0.000 1.288 95 Y HN 0.422 nan 8.280 nan 0.000 0.575 96 P HA -0.227 nan 4.420 nan 0.000 0.218 96 P C 0.359 177.665 177.300 0.010 0.000 1.146 96 P CA 1.959 65.076 63.100 0.028 0.000 0.820 96 P CB 0.250 31.971 31.700 0.034 0.000 0.778 97 D N -1.319 119.094 120.400 0.022 0.000 2.363 97 D HA 0.178 4.825 4.640 0.011 0.000 0.214 97 D C 1.588 177.858 176.300 -0.049 0.000 1.093 97 D CA 0.033 54.024 54.000 -0.015 0.000 0.837 97 D CB -0.442 40.350 40.800 -0.013 0.000 0.948 97 D HN 0.072 nan 8.370 nan 0.000 0.507 98 A N 1.373 124.154 122.820 -0.066 0.000 1.858 98 A HA 0.084 4.411 4.320 0.011 0.000 0.216 98 A C 2.437 179.913 177.584 -0.181 0.000 1.190 98 A CA 2.123 54.071 52.037 -0.148 0.000 0.617 98 A CB -1.020 17.856 19.000 -0.206 0.000 0.827 98 A HN 0.327 nan 8.150 nan 0.000 0.443 99 A N -0.760 121.971 122.820 -0.148 0.000 1.873 99 A HA -0.299 4.027 4.320 0.011 0.000 0.218 99 A C 2.262 179.764 177.584 -0.138 0.000 1.193 99 A CA 2.137 54.082 52.037 -0.152 0.000 0.629 99 A CB -0.766 18.171 19.000 -0.105 0.000 0.826 99 A HN 0.692 nan 8.150 nan 0.000 0.447 100 Q N -0.853 118.887 119.800 -0.098 0.000 2.084 100 Q HA -0.220 4.127 4.340 0.011 0.000 0.202 100 Q C 2.267 178.218 176.000 -0.082 0.000 0.978 100 Q CA 1.928 57.684 55.803 -0.079 0.000 0.844 100 Q CB -0.495 28.209 28.738 -0.055 0.000 0.898 100 Q HN 0.744 nan 8.270 nan 0.000 0.426 101 C N 0.315 119.564 119.300 -0.085 0.000 2.388 101 C HA -0.164 4.302 4.460 0.011 0.000 0.277 101 C C 2.579 177.519 174.990 -0.083 0.000 1.210 101 C CA 1.118 60.099 59.018 -0.062 0.000 1.743 101 C CB -1.204 26.509 27.740 -0.045 0.000 2.047 101 C HN 0.662 nan 8.230 nan 0.000 0.458 102 L N 1.156 122.271 121.223 -0.180 0.000 2.083 102 L HA -0.096 4.250 4.340 0.011 0.000 0.209 102 L C 3.022 179.786 176.870 -0.177 0.000 1.083 102 L CA 1.656 56.350 54.840 -0.244 0.000 0.752 102 L CB -0.727 41.053 42.059 -0.465 0.000 0.899 102 L HN 0.513 nan 8.230 nan 0.000 0.433 103 A N 0.005 122.734 122.820 -0.153 0.000 1.902 103 A HA -0.211 4.115 4.320 0.011 0.000 0.217 103 A C 2.132 179.669 177.584 -0.078 0.000 1.181 103 A CA 1.657 53.625 52.037 -0.115 0.000 0.623 103 A CB -0.407 18.534 19.000 -0.098 0.000 0.818 103 A HN 0.485 nan 8.150 nan 0.000 0.443 104 E N -0.313 119.849 120.200 -0.064 0.000 2.347 104 E HA 0.014 4.370 4.350 0.011 0.000 0.196 104 E C 1.617 178.197 176.600 -0.034 0.000 1.008 104 E CA 0.373 56.746 56.400 -0.044 0.000 0.852 104 E CB -0.157 29.520 29.700 -0.039 0.000 0.783 104 E HN 0.599 nan 8.360 nan 0.000 0.505 105 L N 0.888 122.094 121.223 -0.029 0.000 2.341 105 L HA 0.071 4.418 4.340 0.011 0.000 0.214 105 L C 1.246 178.109 176.870 -0.012 0.000 1.115 105 L CA -0.407 54.431 54.840 -0.004 0.000 0.820 105 L CB -0.181 41.908 42.059 0.049 0.000 0.944 105 L HN 0.002 nan 8.230 nan 0.000 0.452 106 A N 1.065 123.865 122.820 -0.033 0.000 2.507 106 A HA 0.113 4.440 4.320 0.011 0.000 0.235 106 A C -1.209 176.362 177.584 -0.022 0.000 1.070 106 A CA -0.625 51.393 52.037 -0.031 0.000 0.768 106 A CB -0.364 18.608 19.000 -0.047 0.000 1.011 106 A HN 0.093 nan 8.150 nan 0.000 0.502 107 P HA 0.104 nan 4.420 nan 0.000 0.249 107 P C 0.133 177.432 177.300 -0.001 0.000 1.229 107 P CA 0.011 63.104 63.100 -0.011 0.000 0.788 107 P CB -0.100 31.594 31.700 -0.009 0.000 1.072 108 L N 0.642 121.866 121.223 0.002 0.000 2.536 108 L HA -0.061 4.286 4.340 0.011 0.000 0.294 108 L C 1.168 178.053 176.870 0.025 0.000 1.257 108 L CA 0.466 55.313 54.840 0.012 0.000 0.850 108 L CB -0.104 41.962 42.059 0.011 0.000 1.105 108 L HN -0.041 nan 8.230 nan 0.000 0.517 109 K N 3.084 123.504 120.400 0.033 0.000 2.401 109 K HA 0.221 4.548 4.320 0.011 0.000 0.278 109 K C -0.525 176.126 176.600 0.085 0.000 1.018 109 K CA 0.073 56.391 56.287 0.052 0.000 0.981 109 K CB 0.492 33.021 32.500 0.049 0.000 0.933 109 K HN 0.461 nan 8.250 nan 0.000 0.477 110 R N 1.024 121.601 120.500 0.127 0.000 2.561 110 R HA 0.596 4.943 4.340 0.011 0.000 0.297 110 R C -1.181 175.335 176.300 0.360 0.000 0.969 110 R CA -0.601 55.643 56.100 0.240 0.000 0.879 110 R CB 2.091 32.482 30.300 0.152 0.000 1.178 110 R HN 0.688 nan 8.270 nan 0.000 0.445 111 A N 3.147 126.208 122.820 0.402 0.000 2.594 111 A HA 0.680 5.007 4.320 0.011 0.000 0.291 111 A C -1.230 176.424 177.584 0.116 0.000 1.105 111 A CA -0.715 51.475 52.037 0.255 0.000 0.694 111 A CB 1.351 20.424 19.000 0.122 0.000 1.291 111 A HN 0.610 nan 8.150 nan 0.000 0.410 112 I N 0.623 121.086 120.570 -0.178 0.000 2.441 112 I HA 0.462 4.639 4.170 0.011 0.000 0.295 112 I C -1.100 174.980 176.117 -0.063 0.000 0.994 112 I CA -0.753 60.428 61.300 -0.199 0.000 1.144 112 I CB 1.806 39.537 38.000 -0.448 0.000 1.314 112 I HN 0.536 nan 8.210 nan 0.000 0.445 113 L N 6.353 127.591 121.223 0.024 0.000 2.343 113 L HA 0.599 4.946 4.340 0.011 0.000 0.278 113 L C -0.611 176.318 176.870 0.099 0.000 0.996 113 L CA 0.341 55.243 54.840 0.104 0.000 0.831 113 L CB 1.468 43.706 42.059 0.300 0.000 1.232 113 L HN 0.579 nan 8.230 nan 0.000 0.413 114 S N 3.195 118.915 115.700 0.033 0.000 2.564 114 S HA 0.462 4.938 4.470 0.011 0.000 0.274 114 S C 0.493 175.111 174.600 0.029 0.000 1.124 114 S CA -0.727 57.487 58.200 0.024 0.000 0.869 114 S CB 1.312 64.459 63.200 -0.087 0.000 1.105 114 S HN 0.703 nan 8.310 nan 0.000 0.472 115 N N 1.885 120.592 118.700 0.011 0.000 2.289 115 N HA -0.003 4.743 4.740 0.011 0.000 0.184 115 N C 1.076 176.492 175.510 -0.158 0.000 1.016 115 N CA 0.977 54.001 53.050 -0.043 0.000 0.872 115 N CB -0.783 37.482 38.487 -0.370 0.000 0.973 115 N HN 0.756 nan 8.380 nan 0.000 0.433 116 G N 0.295 109.024 108.800 -0.119 0.000 2.391 116 G HA2 0.295 4.261 3.960 0.011 0.000 0.234 116 G HA3 0.295 4.261 3.960 0.011 0.000 0.234 116 G C 0.129 175.179 174.900 0.250 0.000 1.284 116 G CA 0.146 45.371 45.100 0.208 0.000 0.873 116 G HN 0.321 nan 8.290 nan 0.000 0.549 117 A N 4.076 127.117 122.820 0.368 0.000 2.406 117 A HA 0.502 4.829 4.320 0.011 0.000 0.243 117 A C -0.522 177.150 177.584 0.147 0.000 1.082 117 A CA -0.726 51.472 52.037 0.268 0.000 0.786 117 A CB 0.412 19.594 19.000 0.303 0.000 1.029 117 A HN 0.488 nan 8.150 nan 0.000 0.495 118 P HA -0.189 nan 4.420 nan 0.000 0.215 118 P C 0.536 177.842 177.300 0.009 0.000 1.163 118 P CA 1.759 64.882 63.100 0.037 0.000 0.894 118 P CB 0.075 31.793 31.700 0.029 0.000 0.791 119 D N -1.586 118.809 120.400 -0.009 0.000 2.178 119 D HA -0.116 4.531 4.640 0.011 0.000 0.201 119 D C 1.948 178.201 176.300 -0.078 0.000 0.980 119 D CA 1.156 55.117 54.000 -0.064 0.000 0.842 119 D CB -0.572 40.156 40.800 -0.121 0.000 0.948 119 D HN 0.231 nan 8.370 nan 0.000 0.472 120 M N 0.000 119.585 119.600 -0.025 0.000 2.067 120 M HA -0.108 4.379 4.480 0.011 0.000 0.260 120 M C 2.336 178.643 176.300 0.011 0.000 1.069 120 M CA 1.168 56.486 55.300 0.030 0.000 1.117 120 M CB -0.275 32.464 32.600 0.231 0.000 1.334 120 M HN -0.016 nan 8.290 nan 0.000 0.407 121 L N -0.428 120.799 121.223 0.008 0.000 2.046 121 L HA -0.241 4.106 4.340 0.011 0.000 0.208 121 L C 2.651 179.461 176.870 -0.100 0.000 1.077 121 L CA 1.388 56.177 54.840 -0.084 0.000 0.747 121 L CB -0.763 41.248 42.059 -0.079 0.000 0.896 121 L HN 0.449 nan 8.230 nan 0.000 0.432 122 Q N 0.049 119.813 119.800 -0.061 0.000 2.050 122 Q HA -0.222 4.125 4.340 0.011 0.000 0.202 122 Q C 2.333 178.301 176.000 -0.054 0.000 0.980 122 Q CA 1.818 57.593 55.803 -0.047 0.000 0.840 122 Q CB -0.066 28.652 28.738 -0.034 0.000 0.898 122 Q HN 0.518 nan 8.270 nan 0.000 0.424 123 A N 0.664 123.442 122.820 -0.069 0.000 1.902 123 A HA -0.184 4.143 4.320 0.011 0.000 0.217 123 A C 1.985 179.515 177.584 -0.089 0.000 1.181 123 A CA 1.330 53.324 52.037 -0.072 0.000 0.623 123 A CB -0.770 18.178 19.000 -0.087 0.000 0.818 123 A HN 0.481 nan 8.150 nan 0.000 0.443 124 L N -0.092 121.043 121.223 -0.145 0.000 2.017 124 L HA -0.118 4.229 4.340 0.011 0.000 0.208 124 L C 2.372 179.091 176.870 -0.253 0.000 1.073 124 L CA 1.964 56.631 54.840 -0.287 0.000 0.745 124 L CB -0.422 41.337 42.059 -0.499 0.000 0.894 124 L HN 0.153 nan 8.230 nan 0.000 0.432 125 V N -0.107 119.723 119.914 -0.140 0.000 2.358 125 V HA -0.238 3.888 4.120 0.011 0.000 0.246 125 V C 2.762 178.907 176.094 0.086 0.000 1.047 125 V CA 1.496 63.837 62.300 0.069 0.000 1.035 125 V CB -1.272 30.602 31.823 0.084 0.000 0.658 125 V HN 0.602 nan 8.190 nan 0.000 0.452 126 A N 0.726 123.561 122.820 0.026 0.000 1.877 126 A HA -0.305 4.022 4.320 0.011 0.000 0.216 126 A C 2.073 179.671 177.584 0.022 0.000 1.186 126 A CA 2.368 54.419 52.037 0.023 0.000 0.620 126 A CB -0.952 18.048 19.000 -0.000 0.000 0.822 126 A HN 0.623 nan 8.150 nan 0.000 0.443 127 N N 0.159 118.862 118.700 0.004 0.000 2.205 127 N HA -0.086 4.661 4.740 0.011 0.000 0.186 127 N C 1.376 176.910 175.510 0.039 0.000 1.015 127 N CA 1.720 54.774 53.050 0.008 0.000 0.862 127 N CB -0.283 38.196 38.487 -0.014 0.000 0.986 127 N HN 0.364 nan 8.380 nan 0.000 0.429 128 A N -0.852 122.019 122.820 0.086 0.000 2.251 128 A HA 0.386 4.712 4.320 0.011 0.000 0.209 128 A C 1.402 179.036 177.584 0.084 0.000 1.187 128 A CA 0.517 52.633 52.037 0.132 0.000 0.823 128 A CB -0.777 18.414 19.000 0.319 0.000 0.846 128 A HN 0.479 nan 8.150 nan 0.000 0.486 129 G N -0.747 108.090 108.800 0.063 0.000 2.249 129 G HA2 -0.232 3.735 3.960 0.011 0.000 0.273 129 G HA3 -0.232 3.735 3.960 0.011 0.000 0.273 129 G C 0.395 175.312 174.900 0.027 0.000 1.036 129 G CA 0.579 45.699 45.100 0.033 0.000 0.824 129 G HN 0.550 nan 8.290 nan 0.000 0.504 130 L N -0.125 121.145 121.223 0.077 0.000 2.857 130 L HA 0.137 4.484 4.340 0.011 0.000 0.249 130 L C 2.441 179.366 176.870 0.091 0.000 1.172 130 L CA 0.567 55.437 54.840 0.051 0.000 0.980 130 L CB 0.020 42.173 42.059 0.156 0.000 1.299 130 L HN 0.245 nan 8.230 nan 0.000 0.535 131 T N -0.448 114.168 114.554 0.103 0.000 2.699 131 T HA -0.187 4.170 4.350 0.011 0.000 0.268 131 T C 1.031 175.778 174.700 0.078 0.000 1.036 131 T CA 1.548 63.722 62.100 0.123 0.000 1.147 131 T CB -0.111 68.798 68.868 0.068 0.000 0.862 131 T HN 0.303 nan 8.240 nan 0.000 0.446 132 D N 0.736 121.133 120.400 -0.005 0.000 2.319 132 D HA 0.167 4.813 4.640 0.011 0.000 0.230 132 D C 1.183 177.406 176.300 -0.128 0.000 1.094 132 D CA 0.154 54.130 54.000 -0.040 0.000 0.856 132 D CB 0.148 40.925 40.800 -0.039 0.000 0.915 132 D HN 0.266 nan 8.370 nan 0.000 0.517 133 S N -0.253 115.286 115.700 -0.269 0.000 2.540 133 S HA 0.159 4.636 4.470 0.011 0.000 0.218 133 S C 0.036 174.180 174.600 -0.760 0.000 0.977 133 S CA -0.253 57.614 58.200 -0.556 0.000 0.918 133 S CB 0.368 63.086 63.200 -0.802 0.000 0.806 133 S HN 0.063 nan 8.310 nan 0.000 0.496 134 F N 1.118 121.051 119.950 -0.028 0.000 2.529 134 F HA 0.424 4.957 4.527 0.011 0.000 0.320 134 F C 0.689 176.490 175.800 0.002 0.000 1.118 134 F CA -1.563 56.430 58.000 -0.011 0.000 0.915 134 F CB 1.272 40.267 39.000 -0.009 0.000 1.161 134 F HN -0.112 nan 8.300 nan 0.000 0.445 135 D N 1.698 122.218 120.400 0.200 0.000 2.234 135 D HA 0.189 4.836 4.640 0.011 0.000 0.205 135 D C 0.357 176.727 176.300 0.117 0.000 0.962 135 D CA 0.886 54.958 54.000 0.120 0.000 0.855 135 D CB 0.509 41.364 40.800 0.092 0.000 0.951 135 D HN 0.436 nan 8.370 nan 0.000 0.500 136 A N 0.092 122.998 122.820 0.144 0.000 2.566 136 A HA 0.475 4.802 4.320 0.011 0.000 0.297 136 A C -1.323 176.277 177.584 0.027 0.000 1.059 136 A CA -0.566 51.519 52.037 0.079 0.000 0.691 136 A CB 1.811 20.846 19.000 0.059 0.000 1.282 136 A HN -0.105 nan 8.150 nan 0.000 0.401 137 V N 3.349 123.250 119.914 -0.022 0.000 2.304 137 V HA 0.367 4.493 4.120 0.011 0.000 0.278 137 V C -0.490 175.568 176.094 -0.060 0.000 1.018 137 V CA -0.042 62.192 62.300 -0.111 0.000 0.814 137 V CB 0.769 32.512 31.823 -0.132 0.000 1.021 137 V HN 0.665 nan 8.190 nan 0.000 0.440 138 I N 3.707 124.246 120.570 -0.051 0.000 2.321 138 I HA 0.399 4.576 4.170 0.011 0.000 0.291 138 I C 0.541 176.646 176.117 -0.020 0.000 0.998 138 I CA 0.089 61.378 61.300 -0.019 0.000 1.227 138 I CB 1.653 39.656 38.000 0.006 0.000 1.368 138 I HN 0.564 nan 8.210 nan 0.000 0.466 139 S N 4.455 120.148 115.700 -0.013 0.000 2.578 139 S HA 0.276 4.753 4.470 0.011 0.000 0.283 139 S C 1.066 175.654 174.600 -0.021 0.000 1.195 139 S CA -0.840 57.362 58.200 0.003 0.000 1.050 139 S CB 1.717 64.936 63.200 0.032 0.000 1.012 139 S HN 0.511 nan 8.310 nan 0.000 0.511 140 V N 1.703 121.605 119.914 -0.021 0.000 3.141 140 V HA 0.068 4.195 4.120 0.011 0.000 0.265 140 V C 1.666 177.657 176.094 -0.171 0.000 1.126 140 V CA 1.823 64.062 62.300 -0.101 0.000 1.141 140 V CB -1.161 30.606 31.823 -0.092 0.000 0.743 140 V HN 0.905 nan 8.190 nan 0.000 0.492 141 D N 1.849 122.206 120.400 -0.073 0.000 2.158 141 D HA -0.208 4.439 4.640 0.011 0.000 0.197 141 D C 2.139 178.313 176.300 -0.208 0.000 0.995 141 D CA 1.952 55.903 54.000 -0.082 0.000 0.846 141 D CB -0.202 40.644 40.800 0.076 0.000 0.941 141 D HN 0.554 nan 8.370 nan 0.000 0.456 142 A N 0.072 122.806 122.820 -0.143 0.000 1.986 142 A HA -0.189 4.137 4.320 0.011 0.000 0.220 142 A C 2.001 179.460 177.584 -0.208 0.000 1.171 142 A CA 1.407 53.362 52.037 -0.138 0.000 0.640 142 A CB -0.318 18.630 19.000 -0.088 0.000 0.811 142 A HN 0.107 nan 8.150 nan 0.000 0.451 143 K N -1.220 119.015 120.400 -0.276 0.000 2.379 143 K HA 0.102 4.428 4.320 0.011 0.000 0.194 143 K C 0.083 176.384 176.600 -0.499 0.000 1.031 143 K CA 0.185 56.281 56.287 -0.318 0.000 1.037 143 K CB 0.071 32.399 32.500 -0.286 0.000 0.824 143 K HN 0.551 nan 8.250 nan 0.000 0.516 144 R N 0.499 120.527 120.500 -0.787 0.000 3.333 144 R HA -0.150 4.196 4.340 0.011 0.000 0.256 144 R C -0.017 175.608 176.300 -1.125 0.000 1.010 144 R CA 0.718 55.933 56.100 -1.476 0.000 0.680 144 R CB -2.311 27.479 30.300 -0.849 0.000 1.102 144 R HN 0.176 nan 8.270 nan 0.000 0.440 145 V N -4.116 115.292 119.914 -0.844 0.000 3.182 145 V HA 0.882 5.008 4.120 0.011 0.000 0.308 145 V C -0.441 175.451 176.094 -0.337 0.000 1.240 145 V CA -1.150 60.893 62.300 -0.429 0.000 1.063 145 V CB 2.320 33.783 31.823 -0.600 0.000 1.076 145 V HN -0.014 nan 8.190 nan 0.000 0.446 146 F N 0.040 120.116 119.950 0.210 0.000 2.579 146 F HA 0.685 5.219 4.527 0.012 0.000 0.324 146 F C 0.608 176.561 175.800 0.255 0.000 1.058 146 F CA -1.007 57.141 58.000 0.246 0.000 0.944 146 F CB 1.847 41.035 39.000 0.313 0.000 1.245 146 F HN 0.500 nan 8.300 nan 0.000 0.477 147 K N 2.552 123.241 120.400 0.483 0.000 2.440 147 K HA 0.075 4.402 4.320 0.011 0.000 0.270 147 K C -1.943 175.043 176.600 0.643 0.000 0.980 147 K CA -0.924 55.635 56.287 0.453 0.000 0.953 147 K CB 0.164 32.976 32.500 0.519 0.000 0.925 147 K HN 0.284 nan 8.250 nan 0.000 0.497 148 P HA -0.036 nan 4.420 nan 0.000 0.249 148 P C -0.669 176.886 177.300 0.425 0.000 1.583 148 P CA 0.017 63.434 63.100 0.528 0.000 0.988 148 P CB 0.053 32.028 31.700 0.458 0.000 1.530 149 H N 3.660 122.866 119.070 0.227 0.000 3.094 149 H HA 0.010 4.572 4.556 0.011 0.000 0.320 149 H C -1.077 174.329 175.328 0.130 0.000 1.000 149 H CA -0.817 55.320 56.048 0.148 0.000 1.413 149 H CB 0.875 30.698 29.762 0.102 0.000 1.405 149 H HN 0.041 nan 8.280 nan 0.000 0.586 150 P HA -0.165 nan 4.420 nan 0.000 0.218 150 P C 0.832 178.261 177.300 0.215 0.000 1.146 150 P CA 1.127 64.431 63.100 0.339 0.000 0.813 150 P CB 0.465 32.344 31.700 0.298 0.000 0.778 151 D N -0.411 120.215 120.400 0.376 0.000 2.218 151 D HA -0.095 4.551 4.640 0.011 0.000 0.204 151 D C 2.120 178.344 176.300 -0.128 0.000 0.976 151 D CA 1.066 55.116 54.000 0.083 0.000 0.853 151 D CB -0.528 40.248 40.800 -0.040 0.000 0.939 151 D HN 0.139 nan 8.370 nan 0.000 0.481 152 S N -0.318 115.261 115.700 -0.201 0.000 2.368 152 S HA -0.165 4.311 4.470 0.011 0.000 0.225 152 S C 1.668 175.976 174.600 -0.487 0.000 1.030 152 S CA 0.830 58.806 58.200 -0.375 0.000 0.999 152 S CB -0.363 62.539 63.200 -0.496 0.000 0.844 152 S HN 0.373 nan 8.310 nan 0.000 0.459 153 Y N 1.393 121.461 120.300 -0.386 0.000 2.395 153 Y HA 0.255 4.811 4.550 0.011 0.000 0.293 153 Y C 2.493 177.892 175.900 -0.834 0.000 1.123 153 Y CA 0.016 57.726 58.100 -0.651 0.000 1.227 153 Y CB -0.801 36.950 38.460 -1.180 0.000 1.012 153 Y HN 0.246 nan 8.280 nan 0.000 0.552 154 A N 0.208 122.606 122.820 -0.702 0.000 2.076 154 A HA -0.142 4.184 4.320 0.011 0.000 0.220 154 A C 2.129 179.710 177.584 -0.006 0.000 1.160 154 A CA 1.229 53.150 52.037 -0.194 0.000 0.653 154 A CB -1.031 17.996 19.000 0.045 0.000 0.801 154 A HN 0.518 nan 8.150 nan 0.000 0.455 155 L N -0.667 120.525 121.223 -0.052 0.000 2.191 155 L HA -0.156 4.191 4.340 0.011 0.000 0.212 155 L C 2.416 179.326 176.870 0.066 0.000 1.103 155 L CA 0.724 55.565 54.840 0.002 0.000 0.769 155 L CB -0.439 41.598 42.059 -0.036 0.000 0.908 155 L HN 0.263 nan 8.230 nan 0.000 0.438 156 V N -0.154 119.838 119.914 0.130 0.000 2.295 156 V HA -0.318 3.809 4.120 0.011 0.000 0.246 156 V C 2.436 178.628 176.094 0.163 0.000 1.049 156 V CA 2.134 64.537 62.300 0.170 0.000 1.024 156 V CB -0.429 31.555 31.823 0.268 0.000 0.648 156 V HN 0.504 nan 8.190 nan 0.000 0.447 157 E N -0.046 120.284 120.200 0.216 0.000 2.106 157 E HA -0.225 4.131 4.350 0.011 0.000 0.192 157 E C 2.208 178.880 176.600 0.120 0.000 0.984 157 E CA 1.185 57.694 56.400 0.182 0.000 0.806 157 E CB -0.054 29.780 29.700 0.223 0.000 0.750 157 E HN 0.684 nan 8.360 nan 0.000 0.458 158 E N -0.289 119.974 120.200 0.105 0.000 2.118 158 E HA -0.191 4.166 4.350 0.011 0.000 0.195 158 E C 2.036 178.670 176.600 0.057 0.000 0.992 158 E CA 1.508 57.950 56.400 0.070 0.000 0.804 158 E CB 0.192 29.922 29.700 0.051 0.000 0.741 158 E HN 0.180 nan 8.360 nan 0.000 0.458 159 V N 0.392 120.341 119.914 0.059 0.000 2.685 159 V HA -0.084 4.043 4.120 0.011 0.000 0.244 159 V C 1.906 178.032 176.094 0.053 0.000 1.054 159 V CA 0.992 63.321 62.300 0.048 0.000 1.076 159 V CB -0.007 31.841 31.823 0.043 0.000 0.725 159 V HN 0.216 nan 8.190 nan 0.000 0.467 160 L N 0.107 121.369 121.223 0.065 0.000 2.590 160 L HA 0.388 4.735 4.340 0.011 0.000 0.227 160 L C 1.710 178.618 176.870 0.062 0.000 1.099 160 L CA 0.787 55.665 54.840 0.062 0.000 0.872 160 L CB -0.133 41.964 42.059 0.064 0.000 1.088 160 L HN 0.522 nan 8.230 nan 0.000 0.479 161 G N 1.658 110.500 108.800 0.070 0.000 2.225 161 G HA2 -0.254 3.712 3.960 0.011 0.000 0.267 161 G HA3 -0.254 3.712 3.960 0.011 0.000 0.267 161 G C 0.207 175.150 174.900 0.072 0.000 1.024 161 G CA 0.484 45.624 45.100 0.067 0.000 0.784 161 G HN 0.292 nan 8.290 nan 0.000 0.507 162 V N -2.114 117.853 119.914 0.088 0.000 2.667 162 V HA 0.943 5.069 4.120 0.011 0.000 0.308 162 V C 0.630 176.804 176.094 0.134 0.000 1.048 162 V CA -0.121 62.233 62.300 0.091 0.000 0.928 162 V CB 1.584 33.451 31.823 0.074 0.000 1.004 162 V HN 1.047 nan 8.190 nan 0.000 0.444 163 T N 0.678 115.309 114.554 0.128 0.000 2.882 163 T HA 0.446 4.802 4.350 0.011 0.000 0.287 163 T C -1.718 173.127 174.700 0.241 0.000 1.014 163 T CA -1.410 60.787 62.100 0.161 0.000 1.049 163 T CB 1.075 70.005 68.868 0.103 0.000 1.001 163 T HN 0.563 nan 8.240 nan 0.000 0.525 164 P HA -0.055 nan 4.420 nan 0.000 0.217 164 P C 1.527 179.047 177.300 0.367 0.000 1.148 164 P CA 1.396 64.816 63.100 0.533 0.000 0.828 164 P CB -0.267 31.579 31.700 0.244 0.000 0.783 165 A N -0.239 122.692 122.820 0.185 0.000 2.067 165 A HA -0.170 4.157 4.320 0.011 0.000 0.219 165 A C 1.695 179.346 177.584 0.112 0.000 1.158 165 A CA 1.322 53.432 52.037 0.123 0.000 0.661 165 A CB -0.864 18.177 19.000 0.069 0.000 0.801 165 A HN 0.258 nan 8.150 nan 0.000 0.452 166 E N -0.663 119.606 120.200 0.114 0.000 2.465 166 E HA 0.222 4.578 4.350 0.011 0.000 0.195 166 E C -0.860 175.770 176.600 0.051 0.000 1.028 166 E CA -0.260 56.185 56.400 0.075 0.000 0.899 166 E CB 0.642 30.381 29.700 0.065 0.000 1.032 166 E HN 0.286 nan 8.360 nan 0.000 0.468 167 V N 2.086 122.034 119.914 0.056 0.000 2.417 167 V HA 0.207 4.333 4.120 0.011 0.000 0.291 167 V C -0.590 175.484 176.094 -0.034 0.000 1.024 167 V CA -0.907 61.353 62.300 -0.066 0.000 0.861 167 V CB 1.715 33.339 31.823 -0.333 0.000 0.985 167 V HN 0.119 nan 8.190 nan 0.000 0.436 168 L N 5.989 127.175 121.223 -0.062 0.000 2.259 168 L HA 0.533 4.879 4.340 0.011 0.000 0.288 168 L C -0.783 176.014 176.870 -0.122 0.000 1.051 168 L CA 0.098 54.919 54.840 -0.031 0.000 0.824 168 L CB 0.504 42.533 42.059 -0.049 0.000 1.206 168 L HN 0.531 nan 8.230 nan 0.000 0.429 169 F N 5.304 125.144 119.950 -0.185 0.000 2.404 169 F HA 0.602 5.135 4.527 0.011 0.000 0.345 169 F C -0.423 175.276 175.800 -0.169 0.000 1.110 169 F CA -0.262 57.615 58.000 -0.206 0.000 1.130 169 F CB 1.189 40.154 39.000 -0.058 0.000 1.129 169 F HN 0.200 nan 8.300 nan 0.000 0.500 170 V N 4.997 124.440 119.914 -0.784 0.000 2.448 170 V HA 0.607 4.734 4.120 0.011 0.000 0.295 170 V C -0.576 175.264 176.094 -0.424 0.000 1.025 170 V CA -0.498 61.489 62.300 -0.522 0.000 0.859 170 V CB 1.329 32.715 31.823 -0.728 0.000 0.988 170 V HN 0.787 nan 8.190 nan 0.000 0.431 171 S N 2.439 118.064 115.700 -0.126 0.000 2.537 171 S HA 0.431 4.908 4.470 0.011 0.000 0.271 171 S C 0.462 175.071 174.600 0.016 0.000 1.148 171 S CA -0.301 57.887 58.200 -0.021 0.000 0.868 171 S CB 2.329 65.602 63.200 0.122 0.000 1.115 171 S HN 0.618 nan 8.310 nan 0.000 0.461 172 S N 2.133 117.853 115.700 0.032 0.000 2.548 172 S HA 0.227 4.704 4.470 0.011 0.000 0.215 172 S C 0.306 174.952 174.600 0.077 0.000 0.976 172 S CA -0.155 58.070 58.200 0.042 0.000 0.908 172 S CB -0.129 63.093 63.200 0.037 0.000 0.781 172 S HN 0.646 nan 8.310 nan 0.000 0.519 173 N N 1.486 120.224 118.700 0.063 0.000 2.426 173 N HA 0.198 4.945 4.740 0.011 0.000 0.257 173 N C 1.099 176.600 175.510 -0.014 0.000 1.002 173 N CA 0.009 53.098 53.050 0.065 0.000 0.942 173 N CB 1.610 40.081 38.487 -0.026 0.000 1.112 173 N HN 0.255 nan 8.380 nan 0.000 0.499 174 G N 2.324 111.192 108.800 0.114 0.000 2.469 174 G HA2 -0.303 3.664 3.960 0.011 0.000 0.219 174 G HA3 -0.303 3.664 3.960 0.011 0.000 0.219 174 G C 1.177 176.122 174.900 0.076 0.000 1.150 174 G CA 0.786 45.932 45.100 0.078 0.000 0.763 174 G HN 0.673 nan 8.290 nan 0.000 0.561 175 F N 1.118 121.175 119.950 0.179 0.000 2.293 175 F HA 0.081 4.614 4.527 0.010 0.000 0.300 175 F C 1.760 177.704 175.800 0.240 0.000 1.086 175 F CA 1.288 59.416 58.000 0.212 0.000 1.375 175 F CB -0.456 38.668 39.000 0.207 0.000 1.045 175 F HN 0.147 nan 8.300 nan 0.000 0.516 176 D N 0.917 120.893 120.400 -0.706 0.000 2.137 176 D HA -0.108 4.539 4.640 0.011 0.000 0.202 176 D C 2.247 178.522 176.300 -0.042 0.000 0.970 176 D CA 1.132 54.931 54.000 -0.335 0.000 0.837 176 D CB -0.186 40.376 40.800 -0.397 0.000 0.981 176 D HN 0.161 nan 8.370 nan 0.000 0.475 177 V N 0.468 120.364 119.914 -0.030 0.000 2.282 177 V HA -0.186 3.940 4.120 0.011 0.000 0.249 177 V C 2.516 178.568 176.094 -0.070 0.000 1.057 177 V CA 2.054 64.358 62.300 0.006 0.000 1.032 177 V CB -1.056 30.767 31.823 -0.000 0.000 0.645 177 V HN 0.363 nan 8.190 nan 0.000 0.447 178 G N -0.278 108.484 108.800 -0.064 0.000 2.418 178 G HA2 -0.149 3.818 3.960 0.011 0.000 0.217 178 G HA3 -0.149 3.818 3.960 0.011 0.000 0.217 178 G C 1.616 176.477 174.900 -0.065 0.000 1.158 178 G CA 0.920 45.983 45.100 -0.061 0.000 0.771 178 G HN 0.598 nan 8.290 nan 0.000 0.545 179 G N 0.928 109.699 108.800 -0.048 0.000 2.408 179 G HA2 0.093 4.059 3.960 0.011 0.000 0.217 179 G HA3 0.093 4.059 3.960 0.011 0.000 0.217 179 G C 2.014 176.410 174.900 -0.840 0.000 1.150 179 G CA 1.467 46.471 45.100 -0.159 0.000 0.776 179 G HN 0.631 nan 8.290 nan 0.000 0.542 180 A N 0.608 122.835 122.820 -0.988 0.000 1.898 180 A HA 0.073 4.400 4.320 0.011 0.000 0.216 180 A C 2.375 179.660 177.584 -0.500 0.000 1.181 180 A CA 1.703 53.094 52.037 -1.077 0.000 0.620 180 A CB -0.228 18.265 19.000 -0.845 0.000 0.819 180 A HN 0.179 nan 8.150 nan 0.000 0.442 181 K N 0.110 120.342 120.400 -0.281 0.000 2.057 181 K HA -0.154 4.172 4.320 0.011 0.000 0.207 181 K C 1.795 178.283 176.600 -0.187 0.000 1.049 181 K CA 1.605 57.791 56.287 -0.168 0.000 0.931 181 K CB -0.730 31.700 32.500 -0.118 0.000 0.714 181 K HN 0.583 nan 8.250 nan 0.000 0.440 182 N N 0.471 119.058 118.700 -0.188 0.000 2.149 182 N HA -0.183 4.563 4.740 0.011 0.000 0.188 182 N C 1.583 176.989 175.510 -0.173 0.000 1.019 182 N CA 1.118 54.085 53.050 -0.138 0.000 0.857 182 N CB -0.246 38.197 38.487 -0.074 0.000 0.997 182 N HN 0.106 nan 8.380 nan 0.000 0.426 183 F N -0.840 118.848 119.950 -0.437 0.000 2.293 183 F HA 0.216 4.749 4.527 0.011 0.000 0.297 183 F C 1.668 177.191 175.800 -0.461 0.000 1.089 183 F CA 1.426 59.139 58.000 -0.478 0.000 1.377 183 F CB 0.150 38.708 39.000 -0.736 0.000 1.051 183 F HN 0.173 nan 8.300 nan 0.000 0.511 184 G N -1.422 107.140 108.800 -0.398 0.000 2.273 184 G HA2 -0.147 3.820 3.960 0.011 0.000 0.162 184 G HA3 -0.147 3.820 3.960 0.011 0.000 0.162 184 G C 0.057 174.921 174.900 -0.060 0.000 1.006 184 G CA -0.407 44.526 45.100 -0.278 0.000 0.704 184 G HN 0.066 nan 8.290 nan 0.000 0.487 185 F N 2.470 122.417 119.950 -0.005 0.000 2.406 185 F HA 0.645 5.179 4.527 0.011 0.000 0.327 185 F C 1.243 177.044 175.800 0.001 0.000 1.153 185 F CA -0.750 57.266 58.000 0.026 0.000 1.218 185 F CB 0.904 39.922 39.000 0.030 0.000 1.215 185 F HN -0.022 nan 8.300 nan 0.000 0.570 186 S N 0.776 116.626 115.700 0.250 0.000 2.565 186 S HA 0.550 5.027 4.470 0.011 0.000 0.274 186 S C -0.460 174.247 174.600 0.179 0.000 1.309 186 S CA -0.674 57.610 58.200 0.139 0.000 1.043 186 S CB 1.162 64.450 63.200 0.146 0.000 0.939 186 S HN 0.319 nan 8.310 nan 0.000 0.504 187 V N 1.809 121.791 119.914 0.113 0.000 2.588 187 V HA 0.713 4.840 4.120 0.011 0.000 0.304 187 V C -0.229 175.956 176.094 0.152 0.000 1.042 187 V CA -0.867 61.526 62.300 0.156 0.000 0.877 187 V CB 1.699 33.598 31.823 0.127 0.000 0.996 187 V HN 0.959 nan 8.190 nan 0.000 0.425 188 A N 4.751 127.666 122.820 0.158 0.000 2.267 188 A HA 0.704 5.030 4.320 0.011 0.000 0.315 188 A C -0.058 177.563 177.584 0.062 0.000 1.297 188 A CA -0.587 51.546 52.037 0.160 0.000 0.865 188 A CB 0.443 19.502 19.000 0.098 0.000 1.165 188 A HN 0.860 nan 8.150 nan 0.000 0.513 189 R N 2.711 123.250 120.500 0.065 0.000 2.308 189 R HA 0.480 4.826 4.340 0.011 0.000 0.305 189 R C -1.232 175.077 176.300 0.015 0.000 1.053 189 R CA -0.257 55.864 56.100 0.033 0.000 0.957 189 R CB 0.767 31.084 30.300 0.028 0.000 1.022 189 R HN 0.405 nan 8.270 nan 0.000 0.461 190 V N 4.258 124.168 119.914 -0.007 0.000 2.348 190 V HA 0.388 4.515 4.120 0.011 0.000 0.270 190 V C -0.008 176.071 176.094 -0.024 0.000 1.037 190 V CA -0.508 61.773 62.300 -0.031 0.000 0.872 190 V CB 1.029 32.810 31.823 -0.070 0.000 1.002 190 V HN 0.881 nan 8.190 nan 0.000 0.464 191 A N 5.694 128.504 122.820 -0.017 0.000 2.394 191 A HA 0.515 4.842 4.320 0.011 0.000 0.333 191 A C 0.919 178.497 177.584 -0.010 0.000 1.397 191 A CA -0.557 51.479 52.037 -0.002 0.000 0.884 191 A CB 0.252 19.258 19.000 0.010 0.000 1.147 191 A HN 0.832 nan 8.150 nan 0.000 0.505 192 R N 0.891 121.384 120.500 -0.012 0.000 2.276 192 R HA 0.092 4.439 4.340 0.011 0.000 0.196 192 R C -0.296 176.016 176.300 0.020 0.000 0.961 192 R CA 0.183 56.276 56.100 -0.012 0.000 1.024 192 R CB 0.118 30.398 30.300 -0.033 0.000 0.940 192 R HN 0.512 nan 8.270 nan 0.000 0.480 193 L N 1.359 122.601 121.223 0.032 0.000 2.294 193 L HA 0.285 4.632 4.340 0.011 0.000 0.283 193 L C -0.654 176.236 176.870 0.034 0.000 1.015 193 L CA -0.384 54.480 54.840 0.041 0.000 0.831 193 L CB 1.802 43.895 42.059 0.058 0.000 1.217 193 L HN -0.125 nan 8.230 nan 0.000 0.420 194 S N 3.874 119.591 115.700 0.029 0.000 2.533 194 S HA 0.081 4.557 4.470 0.011 0.000 0.282 194 S C 1.088 175.705 174.600 0.027 0.000 1.304 194 S CA -0.337 57.878 58.200 0.024 0.000 1.063 194 S CB 0.870 64.083 63.200 0.021 0.000 0.881 194 S HN 0.754 nan 8.310 nan 0.000 0.493 195 Q N 1.766 121.580 119.800 0.024 0.000 2.112 195 Q HA -0.217 4.129 4.340 0.011 0.000 0.206 195 Q C 2.224 178.238 176.000 0.023 0.000 0.987 195 Q CA 1.627 57.444 55.803 0.024 0.000 0.858 195 Q CB -0.140 28.609 28.738 0.019 0.000 0.905 195 Q HN 0.843 nan 8.270 nan 0.000 0.420 196 E N 0.412 120.624 120.200 0.020 0.000 2.153 196 E HA -0.166 4.191 4.350 0.011 0.000 0.194 196 E C 1.837 178.450 176.600 0.022 0.000 0.988 196 E CA 1.220 57.632 56.400 0.019 0.000 0.811 196 E CB -0.240 29.470 29.700 0.016 0.000 0.746 196 E HN 0.301 nan 8.360 nan 0.000 0.466 197 A N 1.809 124.644 122.820 0.025 0.000 1.898 197 A HA -0.085 4.242 4.320 0.011 0.000 0.216 197 A C 2.283 179.886 177.584 0.032 0.000 1.181 197 A CA 1.364 53.417 52.037 0.028 0.000 0.620 197 A CB -0.664 18.354 19.000 0.030 0.000 0.819 197 A HN 0.268 nan 8.150 nan 0.000 0.442 198 L N -0.051 121.193 121.223 0.034 0.000 2.017 198 L HA -0.076 4.270 4.340 0.011 0.000 0.208 198 L C 2.665 179.554 176.870 0.032 0.000 1.073 198 L CA 2.270 57.133 54.840 0.038 0.000 0.745 198 L CB -0.921 41.163 42.059 0.042 0.000 0.894 198 L HN 0.351 nan 8.230 nan 0.000 0.432 199 A N -0.296 122.541 122.820 0.027 0.000 1.892 199 A HA -0.263 4.064 4.320 0.011 0.000 0.218 199 A C 2.454 180.051 177.584 0.022 0.000 1.188 199 A CA 2.143 54.194 52.037 0.023 0.000 0.631 199 A CB -0.619 18.392 19.000 0.020 0.000 0.822 199 A HN 0.537 nan 8.150 nan 0.000 0.447 200 R N -1.022 119.491 120.500 0.022 0.000 2.115 200 R HA -0.086 4.261 4.340 0.011 0.000 0.226 200 R C 2.259 178.573 176.300 0.024 0.000 1.100 200 R CA 1.226 57.339 56.100 0.021 0.000 0.980 200 R CB -0.236 30.076 30.300 0.020 0.000 0.875 200 R HN 0.783 nan 8.270 nan 0.000 0.445 201 E N 1.033 121.249 120.200 0.028 0.000 2.110 201 E HA -0.149 4.207 4.350 0.011 0.000 0.193 201 E C 1.676 178.294 176.600 0.030 0.000 0.988 201 E CA 0.822 57.241 56.400 0.032 0.000 0.804 201 E CB 0.079 29.802 29.700 0.039 0.000 0.745 201 E HN 0.273 nan 8.360 nan 0.000 0.458 202 L N 0.219 121.458 121.223 0.028 0.000 2.465 202 L HA -0.058 4.288 4.340 0.011 0.000 0.224 202 L C 1.749 178.631 176.870 0.020 0.000 1.145 202 L CA 0.063 54.918 54.840 0.024 0.000 0.834 202 L CB 0.328 42.400 42.059 0.022 0.000 0.944 202 L HN 0.093 nan 8.230 nan 0.000 0.451 203 V N -1.987 117.939 119.914 0.020 0.000 3.565 203 V HA -0.008 4.119 4.120 0.011 0.000 0.260 203 V C 1.398 177.503 176.094 0.018 0.000 1.231 203 V CA 0.655 62.965 62.300 0.017 0.000 1.100 203 V CB 0.318 32.150 31.823 0.016 0.000 0.807 203 V HN 0.460 nan 8.190 nan 0.000 0.454 204 S N 1.597 117.310 115.700 0.020 0.000 3.900 204 S HA 0.471 4.948 4.470 0.011 0.000 0.248 204 S C 1.036 175.648 174.600 0.021 0.000 1.310 204 S CA 0.165 58.377 58.200 0.020 0.000 0.915 204 S CB -0.632 62.581 63.200 0.023 0.000 1.588 204 S HN 0.954 nan 8.310 nan 0.000 0.472 205 G N 3.102 111.913 108.800 0.018 0.000 2.574 205 G HA2 -0.292 3.674 3.960 0.011 0.000 0.295 205 G HA3 -0.292 3.674 3.960 0.011 0.000 0.295 205 G C 0.112 175.023 174.900 0.019 0.000 1.300 205 G CA -0.103 45.008 45.100 0.017 0.000 0.944 205 G HN 1.012 nan 8.290 nan 0.000 0.551 206 T N 0.765 115.331 114.554 0.020 0.000 2.923 206 T HA 0.282 4.639 4.350 0.011 0.000 0.304 206 T C 0.872 175.589 174.700 0.028 0.000 1.044 206 T CA 0.818 62.931 62.100 0.022 0.000 1.141 206 T CB 0.158 69.039 68.868 0.023 0.000 1.023 206 T HN 0.541 nan 8.240 nan 0.000 0.533 207 I N 2.895 123.482 120.570 0.028 0.000 2.297 207 I HA 0.366 4.543 4.170 0.011 0.000 0.291 207 I C 0.959 177.103 176.117 0.046 0.000 1.033 207 I CA -0.843 60.477 61.300 0.033 0.000 1.253 207 I CB 0.714 38.728 38.000 0.022 0.000 1.396 207 I HN 0.689 nan 8.210 nan 0.000 0.476 208 A N 8.545 131.401 122.820 0.060 0.000 2.520 208 A HA 0.199 4.526 4.320 0.011 0.000 0.235 208 A C -1.533 176.118 177.584 0.111 0.000 1.065 208 A CA -0.811 51.275 52.037 0.082 0.000 0.764 208 A CB -0.211 18.841 19.000 0.087 0.000 1.002 208 A HN 0.557 nan 8.150 nan 0.000 0.502 209 P HA -0.182 nan 4.420 nan 0.000 0.217 209 P C 1.480 178.981 177.300 0.334 0.000 1.148 209 P CA 0.896 64.138 63.100 0.235 0.000 0.834 209 P CB 0.094 31.979 31.700 0.310 0.000 0.783 210 L N -0.842 120.543 121.223 0.269 0.000 2.056 210 L HA -0.108 4.239 4.340 0.011 0.000 0.207 210 L C 1.966 178.976 176.870 0.233 0.000 1.078 210 L CA 2.168 57.175 54.840 0.279 0.000 0.749 210 L CB -1.635 40.525 42.059 0.168 0.000 0.901 210 L HN -0.065 nan 8.230 nan 0.000 0.433 211 T N -0.383 114.258 114.554 0.145 0.000 2.833 211 T HA -0.166 4.191 4.350 0.011 0.000 0.269 211 T C 1.936 176.678 174.700 0.069 0.000 1.054 211 T CA 1.495 63.655 62.100 0.099 0.000 1.135 211 T CB -0.182 68.726 68.868 0.066 0.000 0.869 211 T HN 0.188 nan 8.240 nan 0.000 0.466 212 M N 0.583 120.196 119.600 0.022 0.000 2.080 212 M HA 0.030 4.517 4.480 0.011 0.000 0.260 212 M C 1.962 178.163 176.300 -0.165 0.000 1.068 212 M CA 1.483 56.706 55.300 -0.129 0.000 1.109 212 M CB -1.483 30.937 32.600 -0.301 0.000 1.342 212 M HN 0.266 nan 8.290 nan 0.000 0.405 213 F N 0.652 120.639 119.950 0.061 0.000 2.146 213 F HA -0.121 4.411 4.527 0.008 0.000 0.298 213 F C 2.397 178.243 175.800 0.075 0.000 1.096 213 F CA 1.179 59.217 58.000 0.063 0.000 1.275 213 F CB -0.725 38.305 39.000 0.050 0.000 1.008 213 F HN 0.157 nan 8.300 nan 0.000 0.480 214 K N 0.248 120.792 120.400 0.240 0.000 2.074 214 K HA -0.202 4.125 4.320 0.011 0.000 0.209 214 K C 2.310 178.984 176.600 0.122 0.000 1.048 214 K CA 1.390 57.776 56.287 0.164 0.000 0.926 214 K CB -0.581 31.997 32.500 0.131 0.000 0.713 214 K HN 0.251 nan 8.250 nan 0.000 0.444 215 A N 1.068 123.940 122.820 0.086 0.000 1.972 215 A HA -0.113 4.213 4.320 0.011 0.000 0.219 215 A C 2.002 179.626 177.584 0.067 0.000 1.169 215 A CA 1.255 53.326 52.037 0.057 0.000 0.635 215 A CB -0.411 18.602 19.000 0.021 0.000 0.810 215 A HN 0.182 nan 8.150 nan 0.000 0.446 216 L N -2.156 119.113 121.223 0.077 0.000 2.375 216 L HA 0.094 4.441 4.340 0.011 0.000 0.215 216 L C 2.303 179.276 176.870 0.172 0.000 1.108 216 L CA 0.432 55.333 54.840 0.102 0.000 0.830 216 L CB -0.077 42.025 42.059 0.071 0.000 0.959 216 L HN 0.242 nan 8.230 nan 0.000 0.457 217 R N -1.100 119.515 120.500 0.192 0.000 2.517 217 R HA 0.259 4.606 4.340 0.011 0.000 0.265 217 R C 1.046 177.471 176.300 0.208 0.000 0.921 217 R CA 0.190 56.432 56.100 0.238 0.000 1.054 217 R CB 0.721 31.179 30.300 0.262 0.000 1.340 217 R HN 0.197 nan 8.270 nan 0.000 0.551 218 M N 0.633 120.328 119.600 0.159 0.000 2.475 218 M HA 0.273 4.759 4.480 0.011 0.000 0.283 218 M C -0.146 176.212 176.300 0.097 0.000 1.165 218 M CA 0.101 55.478 55.300 0.128 0.000 0.976 218 M CB 0.142 32.810 32.600 0.114 0.000 1.428 218 M HN -0.242 nan 8.290 nan 0.000 0.495 219 R N 0.581 121.139 120.500 0.096 0.000 2.902 219 R HA 0.486 4.833 4.340 0.011 0.000 0.258 219 R C -0.227 176.103 176.300 0.051 0.000 1.071 219 R CA -0.560 55.578 56.100 0.064 0.000 1.024 219 R CB 0.853 31.186 30.300 0.056 0.000 1.184 219 R HN 0.127 nan 8.270 nan 0.000 0.492 220 E N 1.595 121.805 120.200 0.016 0.000 2.373 220 E HA 0.047 4.404 4.350 0.011 0.000 0.267 220 E C -0.449 176.123 176.600 -0.047 0.000 1.032 220 E CA -0.046 56.340 56.400 -0.023 0.000 0.889 220 E CB 0.631 30.307 29.700 -0.040 0.000 0.984 220 E HN 0.212 nan 8.360 nan 0.000 0.425 221 E N 1.527 121.653 120.200 -0.124 0.000 2.283 221 E HA 0.015 4.372 4.350 0.011 0.000 0.278 221 E C 0.943 177.370 176.600 -0.287 0.000 1.027 221 E CA -0.049 56.237 56.400 -0.189 0.000 0.843 221 E CB 1.312 30.823 29.700 -0.314 0.000 1.062 221 E HN 0.645 nan 8.360 nan 0.000 0.401 222 T N -0.601 113.876 114.554 -0.128 0.000 2.962 222 T HA -0.207 4.150 4.350 0.011 0.000 0.270 222 T C 1.678 176.329 174.700 -0.082 0.000 1.088 222 T CA 1.233 63.287 62.100 -0.076 0.000 1.127 222 T CB -0.456 68.416 68.868 0.007 0.000 0.883 222 T HN 0.594 nan 8.240 nan 0.000 0.493 223 Y N 1.793 122.087 120.300 -0.010 0.000 2.544 223 Y HA 0.693 5.249 4.550 0.010 0.000 0.286 223 Y C 0.969 176.855 175.900 -0.022 0.000 1.141 223 Y CA -1.266 56.823 58.100 -0.019 0.000 1.299 223 Y CB -0.678 37.766 38.460 -0.027 0.000 1.030 223 Y HN 0.353 nan 8.280 nan 0.000 0.543 224 A N 1.272 123.669 122.820 -0.706 0.000 2.279 224 A HA 0.333 4.659 4.320 0.011 0.000 0.303 224 A C -0.164 177.294 177.584 -0.209 0.000 1.108 224 A CA -0.798 50.953 52.037 -0.476 0.000 0.830 224 A CB 0.320 18.946 19.000 -0.624 0.000 1.106 224 A HN 0.482 nan 8.150 nan 0.000 0.493 225 E N 0.673 120.796 120.200 -0.129 0.000 2.392 225 E HA 0.364 4.720 4.350 0.011 0.000 0.264 225 E C 0.360 176.893 176.600 -0.111 0.000 1.024 225 E CA -0.007 56.332 56.400 -0.102 0.000 0.903 225 E CB 0.751 30.399 29.700 -0.087 0.000 0.963 225 E HN 0.745 nan 8.360 nan 0.000 0.432 226 A N 4.834 127.596 122.820 -0.098 0.000 2.445 226 A HA 0.208 4.535 4.320 0.011 0.000 0.242 226 A C -1.956 175.570 177.584 -0.096 0.000 1.075 226 A CA -1.101 50.881 52.037 -0.092 0.000 0.777 226 A CB -0.212 18.739 19.000 -0.082 0.000 1.013 226 A HN 0.400 nan 8.150 nan 0.000 0.493 227 P HA 0.151 nan 4.420 nan 0.000 0.274 227 P C -0.567 176.635 177.300 -0.163 0.000 1.231 227 P CA -0.065 62.986 63.100 -0.082 0.000 0.790 227 P CB 0.730 32.413 31.700 -0.029 0.000 0.951 228 D N 0.242 120.479 120.400 -0.272 0.000 2.144 228 D HA -0.028 4.618 4.640 0.011 0.000 0.200 228 D C 0.037 175.850 176.300 -0.812 0.000 0.978 228 D CA 1.777 55.400 54.000 -0.629 0.000 0.833 228 D CB -0.265 39.998 40.800 -0.896 0.000 0.961 228 D HN 0.340 nan 8.370 nan 0.000 0.470 229 F N -0.787 119.157 119.950 -0.011 0.000 2.588 229 F HA 0.528 5.062 4.527 0.011 0.000 0.314 229 F C -0.507 175.282 175.800 -0.019 0.000 1.069 229 F CA -1.360 56.630 58.000 -0.017 0.000 0.931 229 F CB 1.682 40.669 39.000 -0.022 0.000 1.260 229 F HN -0.434 nan 8.300 nan 0.000 0.465 230 V N 2.755 122.775 119.914 0.176 0.000 2.531 230 V HA 0.768 4.894 4.120 0.011 0.000 0.301 230 V C -0.769 175.364 176.094 0.066 0.000 1.034 230 V CA -0.887 61.466 62.300 0.088 0.000 0.865 230 V CB 1.770 33.622 31.823 0.047 0.000 0.995 230 V HN 0.707 nan 8.190 nan 0.000 0.424 231 V N 2.745 122.679 119.914 0.033 0.000 3.001 231 V HA 0.681 4.807 4.120 0.011 0.000 0.314 231 V C -1.988 174.099 176.094 -0.011 0.000 1.099 231 V CA -1.842 60.461 62.300 0.005 0.000 0.989 231 V CB 2.250 34.064 31.823 -0.015 0.000 1.040 231 V HN 0.569 nan 8.190 nan 0.000 0.434 232 P HA 0.250 nan 4.420 nan 0.000 0.227 232 P C 0.329 177.598 177.300 -0.052 0.000 1.161 232 P CA 1.303 64.387 63.100 -0.026 0.000 0.788 232 P CB 0.631 32.321 31.700 -0.017 0.000 0.822 233 A N -1.269 121.517 122.820 -0.057 0.000 2.610 233 A HA 0.427 4.754 4.320 0.011 0.000 0.291 233 A C 0.706 178.252 177.584 -0.063 0.000 1.086 233 A CA -0.582 51.406 52.037 -0.082 0.000 0.677 233 A CB -0.017 18.945 19.000 -0.064 0.000 1.278 233 A HN -0.093 nan 8.150 nan 0.000 0.414 234 L N 0.906 122.086 121.223 -0.072 0.000 2.079 234 L HA -0.095 4.252 4.340 0.011 0.000 0.210 234 L C 2.581 179.448 176.870 -0.004 0.000 1.081 234 L CA 1.852 56.685 54.840 -0.012 0.000 0.752 234 L CB -0.368 41.682 42.059 -0.015 0.000 0.896 234 L HN 0.973 nan 8.230 nan 0.000 0.433 235 G N -0.882 107.903 108.800 -0.025 0.000 2.498 235 G HA2 -0.206 3.761 3.960 0.011 0.000 0.219 235 G HA3 -0.206 3.761 3.960 0.011 0.000 0.219 235 G C 1.101 175.985 174.900 -0.027 0.000 1.119 235 G CA 0.597 45.682 45.100 -0.025 0.000 0.766 235 G HN 0.352 nan 8.290 nan 0.000 0.552 236 D N 0.089 120.471 120.400 -0.030 0.000 2.348 236 D HA 0.060 4.707 4.640 0.011 0.000 0.211 236 D C 2.480 178.747 176.300 -0.054 0.000 0.998 236 D CA -0.033 53.943 54.000 -0.040 0.000 0.873 236 D CB 0.298 41.074 40.800 -0.040 0.000 0.925 236 D HN 0.312 nan 8.370 nan 0.000 0.524 237 L N 0.927 122.126 121.223 -0.040 0.000 2.046 237 L HA -0.111 4.236 4.340 0.011 0.000 0.208 237 L C -0.423 176.405 176.870 -0.069 0.000 1.077 237 L CA 1.292 56.097 54.840 -0.058 0.000 0.747 237 L CB -1.517 40.536 42.059 -0.010 0.000 0.896 237 L HN -0.011 nan 8.230 nan 0.000 0.432 238 P HA -0.193 nan 4.420 nan 0.000 0.215 238 P C 1.534 178.793 177.300 -0.067 0.000 1.157 238 P CA 1.328 64.400 63.100 -0.046 0.000 0.868 238 P CB -0.027 31.653 31.700 -0.034 0.000 0.788 239 R N -0.601 119.858 120.500 -0.068 0.000 2.096 239 R HA -0.133 4.213 4.340 0.011 0.000 0.235 239 R C 2.129 178.361 176.300 -0.113 0.000 1.127 239 R CA 1.065 57.119 56.100 -0.075 0.000 0.968 239 R CB -1.069 29.194 30.300 -0.062 0.000 0.861 239 R HN 0.061 nan 8.270 nan 0.000 0.440 240 L N 0.138 121.270 121.223 -0.151 0.000 2.017 240 L HA -0.129 4.218 4.340 0.011 0.000 0.208 240 L C 1.993 178.688 176.870 -0.290 0.000 1.073 240 L CA 1.567 56.250 54.840 -0.261 0.000 0.745 240 L CB -0.337 41.528 42.059 -0.322 0.000 0.894 240 L HN 0.012 nan 8.230 nan 0.000 0.432 241 V N -0.474 119.315 119.914 -0.209 0.000 2.407 241 V HA -0.252 3.874 4.120 0.011 0.000 0.248 241 V C 2.745 178.769 176.094 -0.117 0.000 1.055 241 V CA 1.647 63.849 62.300 -0.163 0.000 1.049 241 V CB -0.721 31.040 31.823 -0.104 0.000 0.662 241 V HN 0.387 nan 8.190 nan 0.000 0.455 242 R N 1.128 121.570 120.500 -0.098 0.000 2.064 242 R HA -0.020 4.327 4.340 0.011 0.000 0.228 242 R C 2.405 178.663 176.300 -0.070 0.000 1.144 242 R CA 1.602 57.661 56.100 -0.069 0.000 0.932 242 R CB -1.561 28.705 30.300 -0.057 0.000 0.833 242 R HN 0.477 nan 8.270 nan 0.000 0.429 243 G N 0.266 109.017 108.800 -0.083 0.000 2.586 243 G HA2 -0.223 3.743 3.960 0.011 0.000 0.215 243 G HA3 -0.223 3.743 3.960 0.011 0.000 0.215 243 G C 1.236 176.091 174.900 -0.075 0.000 1.128 243 G CA 0.643 45.701 45.100 -0.070 0.000 0.774 243 G HN 0.239 nan 8.290 nan 0.000 0.543 244 M N 0.483 120.015 119.600 -0.113 0.000 2.224 244 M HA 0.427 4.913 4.480 0.011 0.000 0.253 244 M C 1.998 178.284 176.300 -0.023 0.000 1.115 244 M CA 0.715 55.956 55.300 -0.100 0.000 1.168 244 M CB -0.222 32.251 32.600 -0.212 0.000 1.288 244 M HN 0.181 nan 8.290 nan 0.000 0.446 245 A N 0.000 122.802 122.820 -0.029 0.000 2.254 245 A HA 0.000 4.327 4.320 0.011 0.000 0.244 245 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 245 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486