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 3g8b_1_A DATA FIRST_RESID 9 DATA SEQUENCE GLSERGRALL LEGGKALGLD LKPHLEAFSR LYALLQEASG KVNLTALRGE DATA SEQUENCE EEVVVKHFLD SLTLLRLPLW QGPLRVLDLG TGAGFPGLPL KIVRPELELV DATA SEQUENCE LVDATRKKVA FVERAIEVLG LKGARALWGR AEVLAREAGH REAYARAVAR DATA SEQUENCE AVAPLcVLSE LLLPFLEVGG AAVAMKGPRV EEELAPLPPA LERLGGRLGE DATA SEQUENCE VLALQLPLSG EARHLVVLEK TAPTPPAYPR RPGVPERHPL c 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 9 G C 0.000 175.131 174.900 0.385 0.000 0.946 9 G CA 0.000 45.284 45.100 0.307 0.000 0.502 10 L N 1.777 123.173 121.223 0.288 0.000 2.410 10 L HA 0.355 4.695 4.340 -0.000 0.000 0.273 10 L C 1.588 178.500 176.870 0.070 0.000 1.152 10 L CA -0.375 54.518 54.840 0.088 0.000 0.855 10 L CB 1.068 43.159 42.059 0.053 0.000 1.129 10 L HN 0.773 nan 8.230 nan 0.000 0.463 11 S N 1.593 117.309 115.700 0.028 0.000 2.617 11 S HA 0.066 4.536 4.470 -0.000 0.000 0.259 11 S C 0.899 175.508 174.600 0.016 0.000 1.301 11 S CA -0.500 57.717 58.200 0.029 0.000 0.984 11 S CB 0.927 64.138 63.200 0.018 0.000 0.954 11 S HN 0.698 nan 8.310 nan 0.000 0.572 12 E N 0.281 120.490 120.200 0.016 0.000 2.077 12 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 12 E C 2.313 178.913 176.600 -0.000 0.000 0.989 12 E CA 1.183 57.589 56.400 0.011 0.000 0.800 12 E CB -0.134 29.572 29.700 0.011 0.000 0.746 12 E HN 0.701 nan 8.360 nan 0.000 0.452 13 R N 0.211 120.707 120.500 -0.006 0.000 2.081 13 R HA -0.105 4.234 4.340 -0.000 0.000 0.235 13 R C 2.327 178.609 176.300 -0.029 0.000 1.131 13 R CA 1.575 57.665 56.100 -0.016 0.000 0.960 13 R CB -0.425 29.864 30.300 -0.017 0.000 0.856 13 R HN 0.179 nan 8.270 nan 0.000 0.436 14 G N 0.496 109.271 108.800 -0.042 0.000 2.418 14 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 14 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 14 G C 1.413 176.290 174.900 -0.039 0.000 1.158 14 G CA 0.684 45.740 45.100 -0.072 0.000 0.771 14 G HN 0.316 nan 8.290 nan 0.000 0.545 15 R N 0.416 120.908 120.500 -0.012 0.000 2.081 15 R HA 0.044 4.384 4.340 -0.000 0.000 0.235 15 R C 3.017 179.314 176.300 -0.006 0.000 1.131 15 R CA 1.141 57.245 56.100 0.006 0.000 0.960 15 R CB -0.329 29.984 30.300 0.021 0.000 0.856 15 R HN 0.356 nan 8.270 nan 0.000 0.436 16 A N 1.065 123.879 122.820 -0.010 0.000 1.930 16 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 16 A C 2.144 179.716 177.584 -0.021 0.000 1.175 16 A CA 1.024 53.053 52.037 -0.013 0.000 0.627 16 A CB -0.454 18.539 19.000 -0.011 0.000 0.815 16 A HN 0.167 nan 8.150 nan 0.000 0.443 17 L N -1.158 120.048 121.223 -0.029 0.000 2.017 17 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 17 L C 2.579 179.424 176.870 -0.041 0.000 1.073 17 L CA 1.313 56.131 54.840 -0.037 0.000 0.745 17 L CB -0.543 41.487 42.059 -0.047 0.000 0.894 17 L HN 0.461 nan 8.230 nan 0.000 0.432 18 L N -0.354 120.842 121.223 -0.045 0.000 2.012 18 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 18 L C 2.304 179.134 176.870 -0.067 0.000 1.073 18 L CA 1.676 56.474 54.840 -0.071 0.000 0.748 18 L CB -0.656 41.352 42.059 -0.085 0.000 0.891 18 L HN 0.141 nan 8.230 nan 0.000 0.431 19 L N -0.392 120.808 121.223 -0.038 0.000 1.989 19 L HA -0.267 4.073 4.340 -0.000 0.000 0.211 19 L C 2.552 179.410 176.870 -0.021 0.000 1.071 19 L CA 2.407 57.234 54.840 -0.022 0.000 0.749 19 L CB -0.578 41.475 42.059 -0.009 0.000 0.890 19 L HN 0.568 nan 8.230 nan 0.000 0.431 20 E N -0.711 119.476 120.200 -0.022 0.000 2.077 20 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 20 E C 1.996 178.583 176.600 -0.023 0.000 0.989 20 E CA 1.281 57.669 56.400 -0.019 0.000 0.800 20 E CB -0.220 29.468 29.700 -0.019 0.000 0.746 20 E HN 0.564 nan 8.360 nan 0.000 0.452 21 G N 0.270 109.051 108.800 -0.032 0.000 2.418 21 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 21 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 21 G C 1.550 176.431 174.900 -0.032 0.000 1.158 21 G CA 0.763 45.841 45.100 -0.035 0.000 0.771 21 G HN 0.440 nan 8.290 nan 0.000 0.545 22 G N 0.822 109.599 108.800 -0.038 0.000 2.446 22 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 22 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 22 G C 1.856 176.754 174.900 -0.004 0.000 1.168 22 G CA 1.395 46.480 45.100 -0.024 0.000 0.771 22 G HN 0.416 nan 8.290 nan 0.000 0.551 23 K N 0.808 121.206 120.400 -0.003 0.000 2.063 23 K HA 0.054 4.374 4.320 -0.000 0.000 0.208 23 K C 2.776 179.377 176.600 0.002 0.000 1.048 23 K CA 1.299 57.587 56.287 0.003 0.000 0.928 23 K CB -0.555 31.945 32.500 -0.000 0.000 0.713 23 K HN 0.254 nan 8.250 nan 0.000 0.442 24 A N 0.118 122.935 122.820 -0.004 0.000 2.070 24 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 24 A C 1.806 179.390 177.584 0.000 0.000 1.159 24 A CA 1.169 53.203 52.037 -0.004 0.000 0.656 24 A CB -0.464 18.530 19.000 -0.011 0.000 0.800 24 A HN 0.237 nan 8.150 nan 0.000 0.453 25 L N -1.502 119.723 121.223 0.003 0.000 2.592 25 L HA 0.211 4.551 4.340 -0.000 0.000 0.227 25 L C 1.539 178.424 176.870 0.024 0.000 1.127 25 L CA 0.499 55.346 54.840 0.012 0.000 0.884 25 L CB -0.130 41.934 42.059 0.009 0.000 1.065 25 L HN 0.557 nan 8.230 nan 0.000 0.457 26 G N 0.836 109.649 108.800 0.022 0.000 2.137 26 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.237 26 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.237 26 G C -0.088 174.835 174.900 0.038 0.000 1.002 26 G CA -0.141 44.976 45.100 0.029 0.000 0.702 26 G HN 0.228 nan 8.290 nan 0.000 0.515 27 L N -0.189 121.056 121.223 0.036 0.000 2.334 27 L HA 0.657 4.997 4.340 -0.000 0.000 0.273 27 L C -0.435 176.465 176.870 0.049 0.000 1.013 27 L CA -1.132 53.740 54.840 0.052 0.000 0.816 27 L CB 1.797 43.889 42.059 0.055 0.000 1.278 27 L HN 0.073 nan 8.230 nan 0.000 0.431 28 D N 2.102 122.541 120.400 0.065 0.000 2.473 28 D HA 0.274 4.914 4.640 -0.000 0.000 0.226 28 D C 0.337 176.684 176.300 0.080 0.000 1.089 28 D CA -0.149 53.881 54.000 0.049 0.000 0.883 28 D CB 0.879 41.696 40.800 0.028 0.000 1.029 28 D HN 0.405 nan 8.370 nan 0.000 0.517 29 L N 3.045 124.317 121.223 0.081 0.000 2.611 29 L HA 0.096 4.436 4.340 -0.000 0.000 0.229 29 L C 2.258 179.175 176.870 0.078 0.000 1.137 29 L CA -0.163 54.765 54.840 0.147 0.000 0.901 29 L CB -0.039 42.068 42.059 0.080 0.000 1.098 29 L HN 0.272 nan 8.230 nan 0.000 0.456 30 K N 1.610 122.014 120.400 0.006 0.000 2.032 30 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 30 K C -0.495 176.065 176.600 -0.067 0.000 1.048 30 K CA 1.573 57.849 56.287 -0.019 0.000 0.927 30 K CB -0.941 31.544 32.500 -0.025 0.000 0.712 30 K HN 0.238 nan 8.250 nan 0.000 0.441 31 P HA -0.048 nan 4.420 nan 0.000 0.230 31 P C 0.359 177.469 177.300 -0.316 0.000 1.158 31 P CA 1.054 63.974 63.100 -0.300 0.000 0.769 31 P CB 0.053 31.474 31.700 -0.465 0.000 0.807 32 H N -2.353 116.760 119.070 0.072 0.000 2.755 32 H HA 0.218 4.774 4.556 -0.000 0.000 0.273 32 H C 1.538 176.982 175.328 0.194 0.000 1.055 32 H CA -0.316 55.794 56.048 0.103 0.000 1.191 32 H CB -0.042 29.830 29.762 0.183 0.000 1.536 32 H HN 0.020 nan 8.280 nan 0.000 0.529 33 L N 1.594 122.946 121.223 0.215 0.000 2.013 33 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 33 L C 2.618 179.588 176.870 0.167 0.000 1.073 33 L CA 1.835 56.786 54.840 0.186 0.000 0.753 33 L CB -0.640 41.476 42.059 0.094 0.000 0.890 33 L HN 0.354 nan 8.230 nan 0.000 0.432 34 E N -0.811 119.451 120.200 0.102 0.000 2.051 34 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 34 E C 2.169 178.801 176.600 0.052 0.000 0.991 34 E CA 1.189 57.631 56.400 0.071 0.000 0.799 34 E CB -0.064 29.658 29.700 0.037 0.000 0.748 34 E HN 0.437 nan 8.360 nan 0.000 0.449 35 A N 0.342 123.165 122.820 0.004 0.000 1.883 35 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 35 A C 1.929 179.404 177.584 -0.180 0.000 1.186 35 A CA 1.404 53.366 52.037 -0.125 0.000 0.624 35 A CB -0.925 17.933 19.000 -0.237 0.000 0.822 35 A HN 0.384 nan 8.150 nan 0.000 0.444 36 F N -0.027 119.866 119.950 -0.096 0.000 2.234 36 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 36 F C 2.936 178.758 175.800 0.037 0.000 1.087 36 F CA 1.382 59.245 58.000 -0.228 0.000 1.340 36 F CB -0.431 38.355 39.000 -0.357 0.000 1.031 36 F HN 0.265 nan 8.300 nan 0.000 0.500 37 S N -0.227 115.632 115.700 0.264 0.000 2.383 37 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 37 S C 2.297 177.058 174.600 0.268 0.000 1.026 37 S CA 1.219 59.588 58.200 0.282 0.000 0.981 37 S CB -0.157 63.156 63.200 0.188 0.000 0.818 37 S HN 0.299 nan 8.310 nan 0.000 0.472 38 R N -0.057 120.534 120.500 0.153 0.000 2.075 38 R HA 0.035 4.375 4.340 -0.000 0.000 0.232 38 R C 2.260 178.633 176.300 0.121 0.000 1.126 38 R CA 1.332 57.491 56.100 0.099 0.000 0.963 38 R CB -0.461 29.853 30.300 0.022 0.000 0.858 38 R HN 0.435 nan 8.270 nan 0.000 0.435 39 L N -0.199 121.105 121.223 0.134 0.000 2.046 39 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 39 L C 1.892 179.011 176.870 0.414 0.000 1.077 39 L CA 1.783 56.744 54.840 0.202 0.000 0.747 39 L CB -0.863 41.274 42.059 0.130 0.000 0.896 39 L HN 0.228 nan 8.230 nan 0.000 0.432 40 Y N 0.363 120.920 120.300 0.427 0.000 2.165 40 Y HA -0.219 4.331 4.550 -0.001 0.000 0.286 40 Y C 2.357 178.392 175.900 0.225 0.000 1.155 40 Y CA 1.707 60.043 58.100 0.394 0.000 1.164 40 Y CB -0.694 38.001 38.460 0.392 0.000 0.978 40 Y HN 0.265 nan 8.280 nan 0.000 0.513 41 A N 0.375 123.265 122.820 0.117 0.000 1.877 41 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 41 A C 2.392 179.970 177.584 -0.009 0.000 1.186 41 A CA 1.791 53.817 52.037 -0.017 0.000 0.620 41 A CB -1.194 17.845 19.000 0.064 0.000 0.822 41 A HN 0.558 nan 8.150 nan 0.000 0.443 42 L N -0.625 120.645 121.223 0.078 0.000 2.042 42 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 42 L C 2.618 179.632 176.870 0.240 0.000 1.076 42 L CA 1.357 56.275 54.840 0.130 0.000 0.749 42 L CB -0.489 41.621 42.059 0.085 0.000 0.893 42 L HN 0.422 nan 8.230 nan 0.000 0.432 43 L N -1.054 120.306 121.223 0.229 0.000 2.046 43 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 43 L C 2.682 179.510 176.870 -0.069 0.000 1.077 43 L CA 1.318 56.228 54.840 0.116 0.000 0.747 43 L CB -0.561 41.564 42.059 0.110 0.000 0.896 43 L HN 0.349 nan 8.230 nan 0.000 0.432 44 Q N -0.203 119.479 119.800 -0.196 0.000 2.030 44 Q HA -0.288 4.052 4.340 -0.000 0.000 0.204 44 Q C 2.164 178.106 176.000 -0.097 0.000 0.986 44 Q CA 2.000 57.671 55.803 -0.220 0.000 0.843 44 Q CB -0.176 28.365 28.738 -0.328 0.000 0.904 44 Q HN 0.489 nan 8.270 nan 0.000 0.420 45 E N 0.385 120.558 120.200 -0.045 0.000 2.033 45 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 45 E C 1.946 178.551 176.600 0.009 0.000 1.011 45 E CA 1.246 57.643 56.400 -0.005 0.000 0.815 45 E CB -0.145 29.569 29.700 0.023 0.000 0.755 45 E HN 0.345 nan 8.360 nan 0.000 0.451 46 A N 0.413 123.263 122.820 0.050 0.000 1.883 46 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 46 A C 2.415 179.969 177.584 -0.050 0.000 1.186 46 A CA 2.054 54.108 52.037 0.028 0.000 0.624 46 A CB -0.765 18.260 19.000 0.042 0.000 0.822 46 A HN 0.322 nan 8.150 nan 0.000 0.444 47 S N -0.468 115.183 115.700 -0.082 0.000 2.399 47 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 47 S C 2.020 176.581 174.600 -0.065 0.000 1.022 47 S CA 0.995 59.139 58.200 -0.094 0.000 0.983 47 S CB -0.614 62.519 63.200 -0.111 0.000 0.803 47 S HN 0.802 nan 8.310 nan 0.000 0.480 48 G N 2.511 111.279 108.800 -0.053 0.000 2.450 48 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 48 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 48 G C 1.435 176.316 174.900 -0.032 0.000 1.130 48 G CA 0.651 45.727 45.100 -0.040 0.000 0.760 48 G HN 0.403 nan 8.290 nan 0.000 0.557 49 K N 0.349 120.731 120.400 -0.029 0.000 2.026 49 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 49 K C 1.150 177.733 176.600 -0.028 0.000 1.048 49 K CA 0.347 56.619 56.287 -0.024 0.000 0.929 49 K CB -0.937 31.551 32.500 -0.020 0.000 0.713 49 K HN 0.245 nan 8.250 nan 0.000 0.439 50 V N 3.137 123.030 119.914 -0.036 0.000 2.585 50 V HA -0.026 4.094 4.120 -0.000 0.000 0.296 50 V C 1.090 177.165 176.094 -0.032 0.000 1.035 50 V CA 0.193 62.472 62.300 -0.036 0.000 1.084 50 V CB 0.544 32.339 31.823 -0.047 0.000 0.953 50 V HN 0.277 nan 8.190 nan 0.000 0.483 51 N N 2.814 121.498 118.700 -0.026 0.000 2.395 51 N HA 0.140 4.880 4.740 -0.000 0.000 0.175 51 N C 1.477 176.974 175.510 -0.022 0.000 1.029 51 N CA 0.226 53.262 53.050 -0.022 0.000 0.897 51 N CB 0.100 38.576 38.487 -0.018 0.000 0.991 51 N HN 0.629 nan 8.380 nan 0.000 0.441 52 L N 0.056 121.265 121.223 -0.024 0.000 2.375 52 L HA 0.106 4.446 4.340 -0.000 0.000 0.215 52 L C 0.577 177.431 176.870 -0.027 0.000 1.108 52 L CA 0.503 55.330 54.840 -0.023 0.000 0.830 52 L CB -0.047 41.999 42.059 -0.021 0.000 0.959 52 L HN 0.229 nan 8.230 nan 0.000 0.457 53 T N -2.907 111.627 114.554 -0.033 0.000 2.930 53 T HA 0.824 5.174 4.350 -0.000 0.000 0.290 53 T C -0.591 174.082 174.700 -0.044 0.000 1.052 53 T CA -0.611 61.466 62.100 -0.039 0.000 1.017 53 T CB 2.672 71.512 68.868 -0.047 0.000 1.137 53 T HN -0.001 nan 8.240 nan 0.000 0.511 54 A N 1.475 124.266 122.820 -0.047 0.000 2.539 54 A HA 0.715 5.035 4.320 -0.000 0.000 0.296 54 A C -0.476 177.071 177.584 -0.063 0.000 1.073 54 A CA -1.009 50.998 52.037 -0.051 0.000 0.700 54 A CB 1.264 20.242 19.000 -0.036 0.000 1.296 54 A HN 1.029 nan 8.150 nan 0.000 0.405 55 L N 1.338 122.516 121.223 -0.074 0.000 2.506 55 L HA 0.104 4.444 4.340 -0.000 0.000 0.281 55 L C 0.833 177.671 176.870 -0.054 0.000 1.228 55 L CA 0.281 55.069 54.840 -0.087 0.000 0.850 55 L CB 0.349 42.348 42.059 -0.101 0.000 1.110 55 L HN 0.891 nan 8.230 nan 0.000 0.496 56 R N 1.517 121.980 120.500 -0.062 0.000 2.707 56 R HA 0.202 4.542 4.340 -0.000 0.000 0.270 56 R C 0.347 176.653 176.300 0.009 0.000 1.083 56 R CA 0.109 56.192 56.100 -0.029 0.000 1.182 56 R CB 0.303 30.586 30.300 -0.029 0.000 1.084 56 R HN 0.827 nan 8.270 nan 0.000 0.528 57 G N 0.137 108.944 108.800 0.011 0.000 2.562 57 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.233 57 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.233 57 G C 0.562 175.479 174.900 0.028 0.000 1.266 57 G CA -0.191 44.925 45.100 0.026 0.000 0.852 57 G HN 0.856 nan 8.290 nan 0.000 0.581 58 E N 0.180 120.401 120.200 0.034 0.000 2.070 58 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 58 E C 2.047 178.537 176.600 -0.183 0.000 1.004 58 E CA 1.719 58.048 56.400 -0.118 0.000 0.805 58 E CB -0.082 29.525 29.700 -0.156 0.000 0.744 58 E HN 0.774 nan 8.360 nan 0.000 0.451 59 E N 0.361 120.497 120.200 -0.108 0.000 2.077 59 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 59 E C 2.049 178.590 176.600 -0.099 0.000 0.989 59 E CA 1.471 57.810 56.400 -0.101 0.000 0.800 59 E CB -0.082 29.579 29.700 -0.066 0.000 0.746 59 E HN 0.340 nan 8.360 nan 0.000 0.452 60 E N -0.322 119.835 120.200 -0.072 0.000 2.150 60 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 60 E C 1.994 178.570 176.600 -0.041 0.000 0.985 60 E CA 1.058 57.424 56.400 -0.056 0.000 0.814 60 E CB 0.221 29.908 29.700 -0.022 0.000 0.752 60 E HN 0.184 nan 8.360 nan 0.000 0.466 61 V N 0.271 120.133 119.914 -0.087 0.000 2.307 61 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 61 V C 2.347 178.187 176.094 -0.424 0.000 1.045 61 V CA 1.301 63.480 62.300 -0.202 0.000 1.024 61 V CB -0.174 31.489 31.823 -0.267 0.000 0.651 61 V HN 0.205 nan 8.190 nan 0.000 0.449 62 V N -0.290 119.405 119.914 -0.364 0.000 2.295 62 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 62 V C 2.322 178.360 176.094 -0.094 0.000 1.049 62 V CA 2.039 64.210 62.300 -0.214 0.000 1.024 62 V CB -0.315 31.436 31.823 -0.120 0.000 0.648 62 V HN 0.399 nan 8.190 nan 0.000 0.447 63 V N -0.878 118.967 119.914 -0.114 0.000 2.331 63 V HA -0.049 4.071 4.120 -0.000 0.000 0.242 63 V C 2.216 178.225 176.094 -0.141 0.000 1.034 63 V CA 1.313 63.553 62.300 -0.099 0.000 1.027 63 V CB -0.516 31.251 31.823 -0.093 0.000 0.667 63 V HN 0.383 nan 8.190 nan 0.000 0.457 64 K N -0.912 119.350 120.400 -0.230 0.000 2.487 64 K HA 0.088 4.408 4.320 -0.000 0.000 0.192 64 K C 1.315 177.459 176.600 -0.760 0.000 1.027 64 K CA 0.680 56.699 56.287 -0.448 0.000 1.054 64 K CB -0.024 32.166 32.500 -0.516 0.000 0.824 64 K HN 0.629 nan 8.250 nan 0.000 0.510 65 H N -2.245 116.727 119.070 -0.164 0.000 2.276 65 H HA 0.124 4.680 4.556 0.000 0.000 0.199 65 H C 1.570 176.977 175.328 0.131 0.000 0.867 65 H CA -0.136 55.796 56.048 -0.193 0.000 0.948 65 H CB 0.020 29.455 29.762 -0.545 0.000 1.251 65 H HN -0.049 nan 8.280 nan 0.000 0.388 66 F N 2.008 122.032 119.950 0.123 0.000 2.060 66 F HA -0.041 4.486 4.527 -0.001 0.000 0.295 66 F C 2.625 178.410 175.800 -0.024 0.000 1.120 66 F CA 0.899 58.961 58.000 0.102 0.000 1.205 66 F CB -1.039 37.917 39.000 -0.073 0.000 0.986 66 F HN -0.025 nan 8.300 nan 0.000 0.470 67 L N -0.461 120.833 121.223 0.120 0.000 2.093 67 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 67 L C 2.113 178.994 176.870 0.019 0.000 1.085 67 L CA 1.501 56.349 54.840 0.014 0.000 0.755 67 L CB -0.632 41.411 42.059 -0.026 0.000 0.904 67 L HN 0.088 nan 8.230 nan 0.000 0.435 68 D N -0.368 120.036 120.400 0.007 0.000 2.123 68 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 68 D C 2.244 178.572 176.300 0.045 0.000 0.992 68 D CA 1.464 55.459 54.000 -0.010 0.000 0.833 68 D CB 0.181 40.932 40.800 -0.082 0.000 0.954 68 D HN 0.067 nan 8.370 nan 0.000 0.455 69 S N -0.626 115.145 115.700 0.120 0.000 2.382 69 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 69 S C 1.941 176.578 174.600 0.063 0.000 1.027 69 S CA 0.556 58.844 58.200 0.146 0.000 0.991 69 S CB -0.238 63.144 63.200 0.304 0.000 0.823 69 S HN 0.328 nan 8.310 nan 0.000 0.469 70 L N 1.798 123.055 121.223 0.057 0.000 2.551 70 L HA -0.041 4.299 4.340 -0.000 0.000 0.228 70 L C 2.597 179.467 176.870 -0.000 0.000 1.153 70 L CA 1.090 55.933 54.840 0.006 0.000 0.851 70 L CB -1.015 41.043 42.059 -0.001 0.000 0.959 70 L HN 0.473 nan 8.230 nan 0.000 0.451 71 T N -2.733 111.831 114.554 0.016 0.000 2.929 71 T HA -0.160 4.189 4.350 -0.000 0.000 0.271 71 T C 1.785 176.521 174.700 0.061 0.000 1.085 71 T CA 0.687 62.805 62.100 0.029 0.000 1.125 71 T CB -0.393 68.488 68.868 0.022 0.000 0.874 71 T HN 0.281 nan 8.240 nan 0.000 0.494 72 L N 0.212 121.461 121.223 0.044 0.000 2.129 72 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 72 L C 2.461 179.473 176.870 0.236 0.000 1.087 72 L CA 1.245 56.149 54.840 0.107 0.000 0.757 72 L CB -0.626 41.360 42.059 -0.121 0.000 0.896 72 L HN 0.337 nan 8.230 nan 0.000 0.434 73 L N -0.858 120.417 121.223 0.087 0.000 2.610 73 L HA -0.060 4.280 4.340 -0.000 0.000 0.232 73 L C 2.329 179.317 176.870 0.197 0.000 1.149 73 L CA 0.026 54.967 54.840 0.167 0.000 0.872 73 L CB -0.456 41.634 42.059 0.052 0.000 0.992 73 L HN 0.224 nan 8.230 nan 0.000 0.447 74 R N 0.340 120.934 120.500 0.157 0.000 2.235 74 R HA 0.125 4.465 4.340 -0.000 0.000 0.213 74 R C 0.517 176.896 176.300 0.132 0.000 1.059 74 R CA 0.478 56.648 56.100 0.117 0.000 0.997 74 R CB -0.265 30.082 30.300 0.078 0.000 0.884 74 R HN 0.306 nan 8.270 nan 0.000 0.462 75 L N 3.088 124.434 121.223 0.206 0.000 2.289 75 L HA 0.263 4.603 4.340 -0.000 0.000 0.285 75 L C -1.847 175.078 176.870 0.091 0.000 1.049 75 L CA -1.904 53.019 54.840 0.139 0.000 0.804 75 L CB 1.571 43.718 42.059 0.147 0.000 1.195 75 L HN -0.208 nan 8.230 nan 0.000 0.428 76 P HA 0.143 nan 4.420 nan 0.000 0.225 76 P C 0.008 177.186 177.300 -0.205 0.000 1.813 76 P CA 0.199 63.273 63.100 -0.042 0.000 1.013 76 P CB 0.037 31.724 31.700 -0.022 0.000 1.961 77 L N -0.835 120.084 121.223 -0.507 0.000 3.333 77 L HA 0.346 4.686 4.340 -0.000 0.000 0.299 77 L C -0.031 176.258 176.870 -0.969 0.000 1.256 77 L CA -0.058 54.270 54.840 -0.853 0.000 1.037 77 L CB 0.307 41.665 42.059 -1.169 0.000 1.423 77 L HN 0.163 nan 8.230 nan 0.000 0.605 78 W N 0.902 122.217 121.300 0.025 0.000 1.645 78 W HA 0.286 4.946 4.660 0.001 0.000 0.315 78 W C 0.209 176.741 176.519 0.021 0.000 0.870 78 W CA -0.462 56.897 57.345 0.024 0.000 2.483 78 W CB 0.452 29.925 29.460 0.022 0.000 1.339 78 W HN 0.000 nan 8.180 nan 0.000 0.549 79 Q N 0.896 120.773 119.800 0.128 0.000 2.245 79 Q HA 0.780 5.120 4.340 -0.000 0.000 0.256 79 Q C 0.532 176.575 176.000 0.073 0.000 0.942 79 Q CA -0.484 55.376 55.803 0.096 0.000 0.896 79 Q CB 2.220 30.991 28.738 0.056 0.000 1.272 79 Q HN 0.143 nan 8.270 nan 0.000 0.442 80 G N 2.648 111.489 108.800 0.069 0.000 2.757 80 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.638 80 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.638 80 G C -2.587 172.351 174.900 0.063 0.000 1.344 80 G CA -0.608 44.524 45.100 0.053 0.000 0.855 80 G HN 0.617 nan 8.290 nan 0.000 0.537 81 P HA 0.235 nan 4.420 nan 0.000 0.232 81 P C 0.514 177.847 177.300 0.055 0.000 1.738 81 P CA -0.047 63.081 63.100 0.046 0.000 0.948 81 P CB -0.439 31.278 31.700 0.028 0.000 1.943 82 L N 0.571 121.844 121.223 0.083 0.000 2.426 82 L HA 0.216 4.556 4.340 -0.000 0.000 0.271 82 L C 1.374 178.316 176.870 0.120 0.000 1.169 82 L CA -0.301 54.598 54.840 0.098 0.000 0.836 82 L CB 0.452 42.589 42.059 0.130 0.000 1.112 82 L HN 0.076 nan 8.230 nan 0.000 0.465 83 R N 2.339 122.907 120.500 0.114 0.000 2.216 83 R HA 0.473 4.813 4.340 -0.000 0.000 0.332 83 R C -1.326 175.164 176.300 0.317 0.000 1.056 83 R CA -0.364 55.828 56.100 0.153 0.000 0.901 83 R CB 0.738 31.049 30.300 0.019 0.000 1.039 83 R HN 0.429 nan 8.270 nan 0.000 0.456 84 V N 6.122 126.230 119.914 0.323 0.000 2.604 84 V HA 0.356 4.476 4.120 -0.000 0.000 0.305 84 V C -0.817 175.357 176.094 0.133 0.000 1.043 84 V CA -1.010 61.453 62.300 0.271 0.000 0.888 84 V CB 1.725 33.682 31.823 0.224 0.000 0.995 84 V HN 0.599 nan 8.190 nan 0.000 0.429 85 L N 3.496 124.635 121.223 -0.139 0.000 2.296 85 L HA 0.677 5.017 4.340 -0.000 0.000 0.286 85 L C -0.558 176.167 176.870 -0.242 0.000 1.023 85 L CA 0.103 54.683 54.840 -0.432 0.000 0.812 85 L CB 1.488 42.880 42.059 -1.111 0.000 1.223 85 L HN 0.692 nan 8.230 nan 0.000 0.421 86 D N 4.709 125.001 120.400 -0.180 0.000 2.443 86 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 86 D C -1.058 175.160 176.300 -0.136 0.000 1.097 86 D CA -0.285 53.645 54.000 -0.116 0.000 0.865 86 D CB 0.783 41.539 40.800 -0.072 0.000 1.034 86 D HN 0.466 nan 8.370 nan 0.000 0.511 87 L N 3.898 125.040 121.223 -0.135 0.000 2.281 87 L HA 0.518 4.858 4.340 -0.000 0.000 0.285 87 L C 1.049 177.901 176.870 -0.030 0.000 1.074 87 L CA 0.407 55.174 54.840 -0.123 0.000 0.817 87 L CB 0.650 42.637 42.059 -0.120 0.000 1.168 87 L HN 0.639 nan 8.230 nan 0.000 0.434 88 G N 2.753 111.547 108.800 -0.010 0.000 2.289 88 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.280 88 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.280 88 G C 0.767 175.695 174.900 0.046 0.000 1.089 88 G CA 0.575 45.693 45.100 0.030 0.000 0.939 88 G HN 0.876 nan 8.290 nan 0.000 0.499 89 T N -0.736 113.841 114.554 0.039 0.000 2.929 89 T HA 0.293 4.643 4.350 -0.000 0.000 0.271 89 T C 2.589 177.354 174.700 0.107 0.000 1.085 89 T CA 2.507 64.640 62.100 0.056 0.000 1.125 89 T CB -0.566 68.314 68.868 0.019 0.000 0.874 89 T HN 2.378 nan 8.240 nan 0.000 0.494 90 G N 0.791 109.649 108.800 0.096 0.000 2.629 90 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.313 90 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.313 90 G C 1.121 176.096 174.900 0.126 0.000 1.217 90 G CA 0.418 45.581 45.100 0.104 0.000 0.994 90 G HN 1.139 nan 8.290 nan 0.000 0.549 91 A N 0.598 123.529 122.820 0.185 0.000 2.259 91 A HA 0.569 4.889 4.320 -0.000 0.000 0.208 91 A C 2.050 179.773 177.584 0.232 0.000 1.201 91 A CA 1.720 53.884 52.037 0.212 0.000 0.824 91 A CB -0.726 18.346 19.000 0.121 0.000 0.838 91 A HN 2.854 nan 8.150 nan 0.000 0.485 92 G N -1.567 107.274 108.800 0.068 0.000 2.245 92 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.130 92 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.130 92 G C -0.431 174.130 174.900 -0.564 0.000 1.040 92 G CA -0.435 44.525 45.100 -0.234 0.000 0.713 92 G HN 0.310 nan 8.290 nan 0.000 0.488 93 F N -0.185 119.823 119.950 0.095 0.000 2.547 93 F HA 0.580 5.107 4.527 -0.000 0.000 0.316 93 F C -1.507 174.330 175.800 0.063 0.000 1.121 93 F CA -2.342 55.720 58.000 0.102 0.000 0.911 93 F CB 2.607 41.699 39.000 0.153 0.000 1.179 93 F HN -0.102 nan 8.300 nan 0.000 0.443 94 P HA 0.117 nan 4.420 nan 0.000 0.257 94 P C 1.214 178.516 177.300 0.004 0.000 1.281 94 P CA 0.384 63.584 63.100 0.168 0.000 0.826 94 P CB 0.373 32.131 31.700 0.096 0.000 1.237 95 G N 1.368 110.132 108.800 -0.058 0.000 2.491 95 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 95 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 95 G C 1.482 176.278 174.900 -0.173 0.000 1.180 95 G CA 0.569 45.596 45.100 -0.121 0.000 0.774 95 G HN 0.230 nan 8.290 nan 0.000 0.562 96 L N 0.894 121.970 121.223 -0.246 0.000 2.027 96 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 96 L C 0.165 176.878 176.870 -0.262 0.000 1.074 96 L CA 1.090 55.760 54.840 -0.283 0.000 0.745 96 L CB -1.214 40.618 42.059 -0.378 0.000 0.898 96 L HN 0.197 nan 8.230 nan 0.000 0.433 97 P HA -0.206 nan 4.420 nan 0.000 0.215 97 P C 1.752 179.009 177.300 -0.072 0.000 1.153 97 P CA 1.163 64.277 63.100 0.024 0.000 0.853 97 P CB 0.029 31.916 31.700 0.312 0.000 0.788 98 L N 0.205 121.347 121.223 -0.134 0.000 2.017 98 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 98 L C 2.239 178.968 176.870 -0.234 0.000 1.073 98 L CA 2.129 56.826 54.840 -0.239 0.000 0.745 98 L CB -1.210 40.646 42.059 -0.338 0.000 0.894 98 L HN -0.223 nan 8.230 nan 0.000 0.432 99 K N -0.009 120.264 120.400 -0.213 0.000 2.097 99 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 99 K C 1.930 178.394 176.600 -0.227 0.000 1.050 99 K CA 1.774 57.950 56.287 -0.186 0.000 0.938 99 K CB -0.490 31.912 32.500 -0.162 0.000 0.718 99 K HN 0.488 nan 8.250 nan 0.000 0.442 100 I N -0.021 120.357 120.570 -0.320 0.000 2.226 100 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 100 I C 1.715 177.498 176.117 -0.557 0.000 1.100 100 I CA 1.058 62.093 61.300 -0.443 0.000 1.374 100 I CB -0.049 37.521 38.000 -0.716 0.000 1.057 100 I HN -0.051 nan 8.210 nan 0.000 0.413 101 V N -0.181 119.448 119.914 -0.475 0.000 3.235 101 V HA 0.061 4.181 4.120 -0.000 0.000 0.259 101 V C 0.924 176.900 176.094 -0.197 0.000 1.133 101 V CA 0.773 62.779 62.300 -0.490 0.000 1.128 101 V CB -0.454 31.240 31.823 -0.215 0.000 0.757 101 V HN 0.278 nan 8.190 nan 0.000 0.469 102 R N 0.820 121.227 120.500 -0.155 0.000 2.651 102 R HA 0.278 4.618 4.340 -0.000 0.000 0.282 102 R C -2.026 174.248 176.300 -0.043 0.000 1.565 102 R CA -1.831 54.238 56.100 -0.053 0.000 1.661 102 R CB 0.611 30.896 30.300 -0.026 0.000 1.189 102 R HN 0.260 nan 8.270 nan 0.000 0.621 103 P HA -0.147 nan 4.420 nan 0.000 0.221 103 P C 0.615 177.913 177.300 -0.003 0.000 1.145 103 P CA 1.088 64.171 63.100 -0.028 0.000 0.795 103 P CB 0.519 32.217 31.700 -0.004 0.000 0.775 104 E N -0.436 119.776 120.200 0.021 0.000 2.274 104 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 104 E C 0.782 177.408 176.600 0.042 0.000 0.996 104 E CA -0.031 56.388 56.400 0.033 0.000 0.840 104 E CB -0.224 29.504 29.700 0.046 0.000 0.772 104 E HN 0.329 nan 8.360 nan 0.000 0.491 105 L N 2.285 123.538 121.223 0.049 0.000 2.490 105 L HA 0.006 4.346 4.340 -0.000 0.000 0.274 105 L C 0.578 177.478 176.870 0.050 0.000 1.201 105 L CA 0.123 55.007 54.840 0.072 0.000 0.869 105 L CB 0.289 42.395 42.059 0.079 0.000 1.123 105 L HN -0.071 nan 8.230 nan 0.000 0.484 106 E N 3.944 124.185 120.200 0.069 0.000 1.963 106 E HA 0.221 4.570 4.350 -0.000 0.000 0.274 106 E C -0.776 175.879 176.600 0.091 0.000 1.061 106 E CA -0.518 55.919 56.400 0.061 0.000 0.847 106 E CB 1.215 30.945 29.700 0.051 0.000 1.083 106 E HN 0.227 nan 8.360 nan 0.000 0.402 107 L N 3.951 125.210 121.223 0.060 0.000 2.282 107 L HA 0.295 4.635 4.340 -0.000 0.000 0.288 107 L C -0.894 176.016 176.870 0.067 0.000 1.033 107 L CA -0.732 54.142 54.840 0.057 0.000 0.807 107 L CB 1.583 43.639 42.059 -0.005 0.000 1.209 107 L HN 0.079 nan 8.230 nan 0.000 0.423 108 V N 6.603 126.576 119.914 0.097 0.000 2.378 108 V HA 0.415 4.535 4.120 -0.000 0.000 0.288 108 V C -0.487 175.598 176.094 -0.015 0.000 1.016 108 V CA -0.525 61.825 62.300 0.083 0.000 0.840 108 V CB 1.474 33.425 31.823 0.214 0.000 0.994 108 V HN 0.516 nan 8.190 nan 0.000 0.431 109 L N 6.312 127.524 121.223 -0.019 0.000 2.276 109 L HA 0.576 4.916 4.340 -0.000 0.000 0.286 109 L C -0.153 176.700 176.870 -0.027 0.000 1.024 109 L CA -0.092 54.722 54.840 -0.042 0.000 0.826 109 L CB 1.524 43.560 42.059 -0.037 0.000 1.211 109 L HN 0.350 nan 8.230 nan 0.000 0.422 110 V N 2.286 122.163 119.914 -0.062 0.000 2.547 110 V HA 0.573 4.693 4.120 -0.000 0.000 0.299 110 V C -0.473 175.629 176.094 0.013 0.000 1.040 110 V CA -0.462 61.815 62.300 -0.038 0.000 0.913 110 V CB 1.898 33.644 31.823 -0.128 0.000 0.992 110 V HN 0.736 nan 8.190 nan 0.000 0.449 111 D N 2.131 122.581 120.400 0.083 0.000 2.837 111 D HA 0.447 5.086 4.640 -0.000 0.000 0.220 111 D C 0.358 176.795 176.300 0.228 0.000 1.236 111 D CA -0.191 53.880 54.000 0.119 0.000 0.838 111 D CB 2.737 43.601 40.800 0.108 0.000 1.647 111 D HN 0.514 nan 8.370 nan 0.000 0.486 112 A N 1.874 124.810 122.820 0.193 0.000 2.168 112 A HA 0.094 4.414 4.320 -0.000 0.000 0.215 112 A C 0.842 178.697 177.584 0.452 0.000 1.152 112 A CA 0.811 52.997 52.037 0.248 0.000 0.716 112 A CB 0.004 19.083 19.000 0.131 0.000 0.794 112 A HN 0.403 nan 8.150 nan 0.000 0.465 113 T N -0.015 114.715 114.554 0.293 0.000 2.753 113 T HA 0.269 4.619 4.350 -0.000 0.000 0.297 113 T C 1.079 175.735 174.700 -0.072 0.000 0.981 113 T CA -0.514 61.678 62.100 0.153 0.000 0.956 113 T CB 1.413 70.321 68.868 0.067 0.000 0.936 113 T HN 0.466 nan 8.240 nan 0.000 0.463 114 R N 3.490 123.682 120.500 -0.515 0.000 2.103 114 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 114 R C 2.227 178.261 176.300 -0.443 0.000 1.142 114 R CA 1.717 57.184 56.100 -1.055 0.000 0.960 114 R CB -0.059 29.247 30.300 -1.657 0.000 0.858 114 R HN 0.568 nan 8.270 nan 0.000 0.439 115 K N 0.649 120.884 120.400 -0.274 0.000 2.147 115 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 115 K C 1.641 178.212 176.600 -0.049 0.000 1.049 115 K CA 1.660 57.863 56.287 -0.139 0.000 0.936 115 K CB 0.058 32.497 32.500 -0.101 0.000 0.722 115 K HN 0.158 nan 8.250 nan 0.000 0.446 116 K N 0.255 120.633 120.400 -0.035 0.000 2.116 116 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 116 K C 1.984 178.631 176.600 0.079 0.000 1.052 116 K CA 0.971 57.282 56.287 0.040 0.000 0.952 116 K CB 0.119 32.640 32.500 0.035 0.000 0.729 116 K HN -0.053 nan 8.250 nan 0.000 0.446 117 V N 1.457 121.381 119.914 0.017 0.000 2.343 117 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 117 V C 2.295 178.396 176.094 0.011 0.000 1.051 117 V CA 2.094 64.410 62.300 0.027 0.000 1.036 117 V CB -0.643 31.198 31.823 0.030 0.000 0.654 117 V HN 0.358 nan 8.190 nan 0.000 0.451 118 A N -0.559 122.248 122.820 -0.023 0.000 1.902 118 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 118 A C 2.109 179.707 177.584 0.023 0.000 1.181 118 A CA 2.016 54.040 52.037 -0.021 0.000 0.623 118 A CB -0.682 18.288 19.000 -0.049 0.000 0.818 118 A HN 0.543 nan 8.150 nan 0.000 0.443 119 F N 0.641 120.557 119.950 -0.057 0.000 2.113 119 F HA -0.137 4.390 4.527 0.000 0.000 0.297 119 F C 2.219 177.993 175.800 -0.044 0.000 1.103 119 F CA 1.951 59.926 58.000 -0.042 0.000 1.248 119 F CB -0.278 38.706 39.000 -0.028 0.000 0.999 119 F HN 0.023 nan 8.300 nan 0.000 0.475 120 V N 0.350 120.290 119.914 0.043 0.000 2.343 120 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 120 V C 2.322 178.320 176.094 -0.160 0.000 1.051 120 V CA 2.246 64.501 62.300 -0.074 0.000 1.036 120 V CB -0.750 31.080 31.823 0.012 0.000 0.654 120 V HN 0.333 nan 8.190 nan 0.000 0.451 121 E N 0.429 120.566 120.200 -0.105 0.000 2.077 121 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 121 E C 2.334 178.845 176.600 -0.149 0.000 0.989 121 E CA 1.635 57.975 56.400 -0.099 0.000 0.800 121 E CB -0.284 29.383 29.700 -0.056 0.000 0.746 121 E HN 0.516 nan 8.360 nan 0.000 0.452 122 R N -0.206 120.172 120.500 -0.203 0.000 2.081 122 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 122 R C 2.169 178.290 176.300 -0.298 0.000 1.131 122 R CA 1.521 57.480 56.100 -0.235 0.000 0.960 122 R CB -0.415 29.729 30.300 -0.261 0.000 0.856 122 R HN 0.212 nan 8.270 nan 0.000 0.436 123 A N 1.169 123.723 122.820 -0.445 0.000 1.902 123 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 123 A C 2.200 179.638 177.584 -0.244 0.000 1.181 123 A CA 1.533 53.332 52.037 -0.397 0.000 0.623 123 A CB -0.550 18.160 19.000 -0.483 0.000 0.818 123 A HN 0.397 nan 8.150 nan 0.000 0.443 124 I N -0.468 119.977 120.570 -0.208 0.000 2.163 124 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 124 I C 2.604 178.645 176.117 -0.125 0.000 1.085 124 I CA 1.985 63.194 61.300 -0.152 0.000 1.347 124 I CB -0.328 37.601 38.000 -0.118 0.000 1.044 124 I HN 0.525 nan 8.210 nan 0.000 0.408 125 E N 1.149 121.277 120.200 -0.120 0.000 2.031 125 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 125 E C 2.089 178.633 176.600 -0.094 0.000 0.994 125 E CA 1.809 58.153 56.400 -0.094 0.000 0.800 125 E CB -0.410 29.238 29.700 -0.086 0.000 0.752 125 E HN 0.227 nan 8.360 nan 0.000 0.447 126 V N 0.791 120.636 119.914 -0.114 0.000 2.332 126 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 126 V C 2.442 178.481 176.094 -0.092 0.000 1.055 126 V CA 1.849 64.090 62.300 -0.099 0.000 1.038 126 V CB -0.464 31.290 31.823 -0.115 0.000 0.651 126 V HN 0.349 nan 8.190 nan 0.000 0.450 127 L N 0.138 121.291 121.223 -0.115 0.000 2.478 127 L HA 0.197 4.537 4.340 -0.000 0.000 0.223 127 L C 1.704 178.516 176.870 -0.097 0.000 1.140 127 L CA 0.833 55.604 54.840 -0.115 0.000 0.842 127 L CB -0.719 41.244 42.059 -0.160 0.000 0.953 127 L HN 0.577 nan 8.230 nan 0.000 0.452 128 G N 1.110 109.858 108.800 -0.087 0.000 2.221 128 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.265 128 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.265 128 G C 0.140 174.998 174.900 -0.070 0.000 1.041 128 G CA -0.135 44.924 45.100 -0.068 0.000 0.807 128 G HN 0.248 nan 8.290 nan 0.000 0.502 129 L N -0.077 121.094 121.223 -0.087 0.000 2.380 129 L HA 0.411 4.751 4.340 -0.000 0.000 0.273 129 L C 0.641 177.473 176.870 -0.063 0.000 1.138 129 L CA -0.138 54.650 54.840 -0.086 0.000 0.832 129 L CB 0.665 42.656 42.059 -0.113 0.000 1.124 129 L HN 0.011 nan 8.230 nan 0.000 0.454 130 K N 2.085 122.455 120.400 -0.050 0.000 2.270 130 K HA 0.471 4.791 4.320 -0.000 0.000 0.255 130 K C 0.447 177.031 176.600 -0.028 0.000 0.936 130 K CA -0.307 55.959 56.287 -0.034 0.000 0.809 130 K CB 1.905 34.390 32.500 -0.025 0.000 1.131 130 K HN 0.822 nan 8.250 nan 0.000 0.427 131 G N 0.864 109.653 108.800 -0.019 0.000 2.203 131 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.231 131 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.231 131 G C -0.308 174.587 174.900 -0.009 0.000 1.058 131 G CA 0.032 45.127 45.100 -0.008 0.000 0.781 131 G HN 0.843 nan 8.290 nan 0.000 0.496 132 A N -0.125 122.684 122.820 -0.018 0.000 2.488 132 A HA 0.983 5.303 4.320 -0.000 0.000 0.298 132 A C -0.227 177.347 177.584 -0.018 0.000 1.044 132 A CA 0.066 52.090 52.037 -0.022 0.000 0.693 132 A CB 1.377 20.344 19.000 -0.055 0.000 1.272 132 A HN 1.661 nan 8.150 nan 0.000 0.402 133 R N 1.148 121.648 120.500 -0.000 0.000 2.643 133 R HA 0.822 5.162 4.340 -0.000 0.000 0.269 133 R C -0.602 175.708 176.300 0.015 0.000 1.037 133 R CA -0.373 55.732 56.100 0.008 0.000 0.894 133 R CB 1.710 32.028 30.300 0.030 0.000 1.238 133 R HN 1.253 nan 8.270 nan 0.000 0.459 134 A N 2.258 125.086 122.820 0.013 0.000 2.293 134 A HA 0.688 5.008 4.320 -0.000 0.000 0.302 134 A C -1.108 176.514 177.584 0.063 0.000 1.119 134 A CA -0.701 51.352 52.037 0.028 0.000 0.823 134 A CB 1.121 20.133 19.000 0.020 0.000 1.097 134 A HN 0.561 nan 8.150 nan 0.000 0.491 135 L N 1.356 122.625 121.223 0.078 0.000 2.438 135 L HA 0.579 4.918 4.340 -0.000 0.000 0.270 135 L C -1.619 175.354 176.870 0.171 0.000 0.972 135 L CA -0.321 54.582 54.840 0.106 0.000 0.831 135 L CB 1.679 43.771 42.059 0.055 0.000 1.273 135 L HN 0.798 nan 8.230 nan 0.000 0.405 136 W N 6.512 127.810 121.300 -0.003 0.000 2.332 136 W HA 0.699 5.359 4.660 0.001 0.000 0.306 136 W C 0.064 176.582 176.519 -0.002 0.000 1.149 136 W CA 0.017 57.362 57.345 0.000 0.000 1.271 136 W CB 0.870 30.336 29.460 0.010 0.000 1.243 136 W HN 0.806 nan 8.180 nan 0.000 0.459 137 G N 4.856 113.582 108.800 -0.124 0.000 2.328 137 G HA2 0.269 4.228 3.960 -0.000 0.000 0.295 137 G HA3 0.269 4.228 3.960 -0.000 0.000 0.295 137 G C -1.597 173.241 174.900 -0.104 0.000 1.413 137 G CA -1.321 43.617 45.100 -0.271 0.000 0.817 137 G HN 0.241 nan 8.290 nan 0.000 0.546 138 R N 0.257 120.698 120.500 -0.098 0.000 2.357 138 R HA 0.573 4.913 4.340 -0.000 0.000 0.296 138 R C 1.491 177.817 176.300 0.043 0.000 1.052 138 R CA 0.192 56.282 56.100 -0.015 0.000 0.988 138 R CB 1.318 31.604 30.300 -0.023 0.000 1.025 138 R HN 0.773 nan 8.270 nan 0.000 0.469 139 A N 3.548 126.427 122.820 0.098 0.000 1.917 139 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 139 A C 1.647 179.343 177.584 0.188 0.000 1.182 139 A CA 1.739 53.922 52.037 0.243 0.000 0.633 139 A CB -0.194 18.956 19.000 0.250 0.000 0.819 139 A HN 0.761 nan 8.150 nan 0.000 0.448 140 E N -0.580 119.668 120.200 0.080 0.000 2.153 140 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 140 E C 1.860 178.457 176.600 -0.003 0.000 0.988 140 E CA 1.184 57.597 56.400 0.021 0.000 0.811 140 E CB -0.246 29.468 29.700 0.024 0.000 0.746 140 E HN 0.416 nan 8.360 nan 0.000 0.466 141 V N 0.344 120.263 119.914 0.009 0.000 2.379 141 V HA -0.121 3.999 4.120 -0.000 0.000 0.243 141 V C 2.110 178.213 176.094 0.014 0.000 1.035 141 V CA 0.993 63.289 62.300 -0.007 0.000 1.035 141 V CB -0.326 31.477 31.823 -0.033 0.000 0.673 141 V HN 0.225 nan 8.190 nan 0.000 0.457 142 L N 0.553 121.811 121.223 0.058 0.000 2.131 142 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 142 L C 2.501 179.471 176.870 0.168 0.000 1.092 142 L CA 1.513 56.421 54.840 0.113 0.000 0.759 142 L CB -0.599 41.533 42.059 0.121 0.000 0.903 142 L HN 0.369 nan 8.230 nan 0.000 0.435 143 A N -0.918 121.858 122.820 -0.073 0.000 2.239 143 A HA -0.063 4.257 4.320 -0.000 0.000 0.209 143 A C 1.954 179.435 177.584 -0.172 0.000 1.171 143 A CA 0.769 52.519 52.037 -0.478 0.000 0.768 143 A CB -0.254 18.215 19.000 -0.886 0.000 0.790 143 A HN 0.227 nan 8.150 nan 0.000 0.478 144 R N 0.355 120.825 120.500 -0.051 0.000 2.362 144 R HA 0.178 4.518 4.340 -0.000 0.000 0.227 144 R C -0.487 175.831 176.300 0.031 0.000 0.905 144 R CA 0.101 56.190 56.100 -0.018 0.000 1.067 144 R CB 0.140 30.428 30.300 -0.020 0.000 1.078 144 R HN 0.612 nan 8.270 nan 0.000 0.516 145 E N 0.216 120.471 120.200 0.091 0.000 2.197 145 E HA 0.300 4.650 4.350 -0.000 0.000 0.281 145 E C 0.497 177.175 176.600 0.131 0.000 0.995 145 E CA -0.203 56.280 56.400 0.138 0.000 0.808 145 E CB 1.622 31.471 29.700 0.249 0.000 1.093 145 E HN -0.008 nan 8.360 nan 0.000 0.394 146 A N 3.517 126.380 122.820 0.071 0.000 1.986 146 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 146 A C 2.015 179.602 177.584 0.004 0.000 1.171 146 A CA 2.032 54.089 52.037 0.032 0.000 0.640 146 A CB -0.781 18.227 19.000 0.012 0.000 0.811 146 A HN 0.782 nan 8.150 nan 0.000 0.451 147 G N -2.592 106.205 108.800 -0.004 0.000 2.471 147 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 147 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 147 G C 1.304 175.957 174.900 -0.412 0.000 1.125 147 G CA 1.143 46.114 45.100 -0.215 0.000 0.775 147 G HN 0.760 nan 8.290 nan 0.000 0.548 148 H N -1.532 117.627 119.070 0.147 0.000 3.436 148 H HA 0.185 4.741 4.556 -0.000 0.000 0.244 148 H C 0.887 176.442 175.328 0.378 0.000 1.009 148 H CA -0.549 55.704 56.048 0.341 0.000 1.129 148 H CB 0.786 30.881 29.762 0.556 0.000 1.473 148 H HN 0.188 nan 8.280 nan 0.000 0.510 149 R N 2.742 123.407 120.500 0.274 0.000 2.480 149 R HA -0.062 4.278 4.340 -0.000 0.000 0.303 149 R C -0.152 176.227 176.300 0.131 0.000 0.985 149 R CA 0.443 56.616 56.100 0.122 0.000 1.051 149 R CB -0.046 30.273 30.300 0.031 0.000 0.935 149 R HN 0.313 nan 8.270 nan 0.000 0.410 150 E N 1.781 122.075 120.200 0.157 0.000 2.328 150 E HA -0.287 4.063 4.350 -0.000 0.000 0.233 150 E C -0.262 176.414 176.600 0.127 0.000 1.219 150 E CA 0.644 57.132 56.400 0.146 0.000 0.717 150 E CB -0.968 28.776 29.700 0.074 0.000 1.210 150 E HN 0.735 nan 8.360 nan 0.000 0.381 151 A N -0.327 122.592 122.820 0.165 0.000 2.508 151 A HA 0.296 4.616 4.320 -0.000 0.000 0.257 151 A C -0.274 177.202 177.584 -0.180 0.000 1.226 151 A CA -0.101 51.909 52.037 -0.045 0.000 0.947 151 A CB 0.488 19.389 19.000 -0.165 0.000 1.079 151 A HN 0.242 nan 8.150 nan 0.000 0.531 152 Y N -1.694 118.682 120.300 0.127 0.000 2.409 152 Y HA 0.531 5.081 4.550 -0.000 0.000 0.339 152 Y C 1.305 177.256 175.900 0.084 0.000 1.033 152 Y CA -0.123 58.042 58.100 0.109 0.000 1.094 152 Y CB 1.925 40.466 38.460 0.135 0.000 1.210 152 Y HN 0.073 nan 8.280 nan 0.000 0.456 153 A N 2.765 125.709 122.820 0.208 0.000 1.975 153 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 153 A C 0.712 178.371 177.584 0.125 0.000 1.170 153 A CA 0.882 52.994 52.037 0.125 0.000 0.656 153 A CB 0.136 19.184 19.000 0.079 0.000 0.821 153 A HN 0.555 nan 8.150 nan 0.000 0.449 154 R N -1.755 118.862 120.500 0.196 0.000 2.771 154 R HA 0.744 5.084 4.340 -0.000 0.000 0.274 154 R C -1.270 175.135 176.300 0.176 0.000 0.987 154 R CA 0.044 56.247 56.100 0.172 0.000 0.908 154 R CB 1.615 32.053 30.300 0.230 0.000 1.213 154 R HN 0.290 nan 8.270 nan 0.000 0.468 155 A N 1.015 123.917 122.820 0.138 0.000 2.486 155 A HA 0.717 5.037 4.320 -0.000 0.000 0.300 155 A C -0.771 176.878 177.584 0.109 0.000 1.048 155 A CA -0.688 51.376 52.037 0.044 0.000 0.696 155 A CB 1.710 20.699 19.000 -0.018 0.000 1.278 155 A HN 0.511 nan 8.150 nan 0.000 0.405 156 V N -1.900 118.050 119.914 0.061 0.000 3.040 156 V HA 1.043 5.163 4.120 -0.000 0.000 0.312 156 V C -0.257 175.857 176.094 0.034 0.000 1.115 156 V CA -0.410 61.941 62.300 0.085 0.000 0.998 156 V CB 1.370 33.246 31.823 0.088 0.000 1.042 156 V HN 2.483 nan 8.190 nan 0.000 0.433 157 A N 2.662 125.515 122.820 0.054 0.000 2.532 157 A HA 0.871 5.191 4.320 -0.000 0.000 0.296 157 A C -0.856 176.766 177.584 0.062 0.000 1.058 157 A CA -0.717 51.348 52.037 0.047 0.000 0.729 157 A CB 1.877 20.901 19.000 0.040 0.000 1.285 157 A HN 1.138 nan 8.150 nan 0.000 0.396 158 R N 1.774 122.316 120.500 0.069 0.000 2.621 158 R HA 0.621 4.961 4.340 -0.000 0.000 0.292 158 R C 0.264 176.605 176.300 0.067 0.000 0.969 158 R CA 0.228 56.372 56.100 0.073 0.000 0.887 158 R CB 1.594 31.950 30.300 0.093 0.000 1.180 158 R HN 2.392 nan 8.270 nan 0.000 0.450 159 A N 2.618 125.470 122.820 0.054 0.000 2.610 159 A HA -0.149 4.171 4.320 -0.000 0.000 0.299 159 A C 0.008 177.619 177.584 0.044 0.000 1.487 159 A CA 1.044 53.108 52.037 0.045 0.000 0.743 159 A CB -1.728 17.300 19.000 0.048 0.000 1.070 159 A HN 0.468 nan 8.150 nan 0.000 0.439 160 V N -1.787 118.152 119.914 0.041 0.000 2.854 160 V HA 0.686 4.806 4.120 -0.000 0.000 0.236 160 V C 1.106 177.220 176.094 0.032 0.000 1.157 160 V CA 1.604 63.928 62.300 0.039 0.000 1.187 160 V CB 0.542 32.391 31.823 0.043 0.000 0.949 160 V HN 2.116 nan 8.190 nan 0.000 0.488 161 A N -0.675 122.163 122.820 0.030 0.000 2.586 161 A HA 0.712 5.032 4.320 -0.000 0.000 0.291 161 A C -3.188 174.407 177.584 0.018 0.000 1.062 161 A CA -0.965 51.085 52.037 0.023 0.000 0.666 161 A CB 0.449 19.464 19.000 0.024 0.000 1.281 161 A HN 0.096 nan 8.150 nan 0.000 0.421 162 P HA 0.254 nan 4.420 nan 0.000 0.268 162 P C 1.026 178.330 177.300 0.006 0.000 1.208 162 P CA -0.227 62.877 63.100 0.006 0.000 0.777 162 P CB 0.388 32.088 31.700 -0.000 0.000 0.875 163 L N 1.043 122.267 121.223 0.002 0.000 2.043 163 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 163 L C 2.354 179.221 176.870 -0.005 0.000 1.075 163 L CA 1.821 56.663 54.840 0.002 0.000 0.752 163 L CB -0.822 41.234 42.059 -0.004 0.000 0.891 163 L HN 0.489 nan 8.230 nan 0.000 0.432 164 c N -1.212 117.381 118.600 -0.010 0.000 2.413 164 c HA -0.126 4.444 4.570 -0.000 0.000 0.276 164 c C 2.787 176.866 174.090 -0.018 0.000 1.248 164 c CA 0.558 56.876 56.329 -0.019 0.000 1.742 164 c CB -0.570 41.931 42.510 -0.016 0.000 2.017 164 c HN 0.366 nan 8.230 nan 0.000 0.481 165 V N 0.286 120.197 119.914 -0.004 0.000 2.346 165 V HA -0.128 3.992 4.120 -0.000 0.000 0.244 165 V C 2.321 178.422 176.094 0.012 0.000 1.037 165 V CA 1.578 63.880 62.300 0.005 0.000 1.029 165 V CB -0.764 31.066 31.823 0.011 0.000 0.663 165 V HN 0.439 nan 8.190 nan 0.000 0.454 166 L N 1.328 122.562 121.223 0.018 0.000 2.127 166 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 166 L C 2.670 179.560 176.870 0.034 0.000 1.089 166 L CA 2.430 57.290 54.840 0.033 0.000 0.757 166 L CB -0.739 41.340 42.059 0.034 0.000 0.899 166 L HN 0.533 nan 8.230 nan 0.000 0.434 167 S N -1.639 114.068 115.700 0.012 0.000 2.402 167 S HA -0.238 4.232 4.470 -0.000 0.000 0.229 167 S C 1.934 176.527 174.600 -0.012 0.000 1.021 167 S CA 1.132 59.333 58.200 0.002 0.000 0.974 167 S CB -0.629 62.558 63.200 -0.021 0.000 0.800 167 S HN 0.677 nan 8.310 nan 0.000 0.484 168 E N 1.029 121.210 120.200 -0.031 0.000 2.208 168 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 168 E C 1.915 178.522 176.600 0.012 0.000 0.988 168 E CA 0.715 57.087 56.400 -0.047 0.000 0.828 168 E CB -0.161 29.503 29.700 -0.061 0.000 0.763 168 E HN 0.609 nan 8.360 nan 0.000 0.478 169 L N 0.260 121.513 121.223 0.050 0.000 2.179 169 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 169 L C 2.337 179.331 176.870 0.208 0.000 1.096 169 L CA 0.497 55.403 54.840 0.110 0.000 0.779 169 L CB -0.143 41.986 42.059 0.118 0.000 0.922 169 L HN 0.217 nan 8.230 nan 0.000 0.443 170 L N -0.853 120.472 121.223 0.170 0.000 2.130 170 L HA -0.083 4.257 4.340 -0.000 0.000 0.200 170 L C 2.428 179.428 176.870 0.217 0.000 1.075 170 L CA 0.641 55.620 54.840 0.231 0.000 0.768 170 L CB -0.271 41.865 42.059 0.128 0.000 0.933 170 L HN 0.150 nan 8.230 nan 0.000 0.451 171 L N 0.103 121.390 121.223 0.108 0.000 2.043 171 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 171 L C -0.412 176.502 176.870 0.073 0.000 1.075 171 L CA 1.517 56.405 54.840 0.081 0.000 0.752 171 L CB -1.550 40.528 42.059 0.032 0.000 0.891 171 L HN 0.212 nan 8.230 nan 0.000 0.432 172 P HA -0.161 nan 4.420 nan 0.000 0.223 172 P C 1.195 178.444 177.300 -0.084 0.000 1.144 172 P CA 1.335 64.389 63.100 -0.076 0.000 0.783 172 P CB -0.030 31.552 31.700 -0.196 0.000 0.771 173 F N -1.361 118.656 119.950 0.111 0.000 2.615 173 F HA 0.075 4.602 4.527 0.000 0.000 0.297 173 F C 1.298 177.244 175.800 0.243 0.000 1.124 173 F CA 0.357 58.469 58.000 0.188 0.000 1.451 173 F CB -0.489 38.555 39.000 0.073 0.000 1.103 173 F HN -0.198 nan 8.300 nan 0.000 0.569 174 L N 1.356 122.760 121.223 0.302 0.000 2.326 174 L HA 0.225 4.565 4.340 -0.000 0.000 0.278 174 L C 0.537 177.501 176.870 0.157 0.000 1.092 174 L CA -0.748 54.230 54.840 0.231 0.000 0.810 174 L CB 0.736 42.889 42.059 0.157 0.000 1.153 174 L HN 0.148 nan 8.230 nan 0.000 0.439 175 E N 2.150 122.430 120.200 0.134 0.000 2.390 175 E HA 0.236 4.586 4.350 -0.000 0.000 0.261 175 E C -0.612 176.024 176.600 0.060 0.000 1.076 175 E CA -0.869 55.578 56.400 0.079 0.000 0.905 175 E CB 1.096 30.829 29.700 0.055 0.000 0.984 175 E HN 0.210 nan 8.360 nan 0.000 0.427 176 V N 2.420 122.359 119.914 0.042 0.000 2.673 176 V HA 0.212 4.331 4.120 -0.000 0.000 0.303 176 V C 1.482 177.589 176.094 0.023 0.000 1.046 176 V CA 1.669 63.987 62.300 0.031 0.000 1.126 176 V CB 0.175 32.012 31.823 0.022 0.000 0.934 176 V HN 1.063 nan 8.190 nan 0.000 0.487 177 G N 3.450 112.261 108.800 0.017 0.000 2.234 177 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.235 177 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.235 177 G C 0.600 175.502 174.900 0.004 0.000 0.997 177 G CA 0.098 45.202 45.100 0.007 0.000 0.623 177 G HN 1.334 nan 8.290 nan 0.000 0.514 178 G N -0.182 108.631 108.800 0.022 0.000 2.588 178 G HA2 0.762 4.722 3.960 -0.000 0.000 0.278 178 G HA3 0.762 4.722 3.960 -0.000 0.000 0.278 178 G C 0.031 174.939 174.900 0.013 0.000 1.307 178 G CA 0.612 45.728 45.100 0.026 0.000 1.016 178 G HN 1.765 nan 8.290 nan 0.000 0.503 179 A N -1.651 121.174 122.820 0.009 0.000 2.547 179 A HA 0.817 5.137 4.320 -0.000 0.000 0.297 179 A C -0.364 177.235 177.584 0.026 0.000 1.056 179 A CA 0.102 52.137 52.037 -0.004 0.000 0.688 179 A CB 1.324 20.286 19.000 -0.063 0.000 1.282 179 A HN 2.003 nan 8.150 nan 0.000 0.400 180 A N 0.615 123.464 122.820 0.049 0.000 2.356 180 A HA 0.800 5.120 4.320 -0.000 0.000 0.323 180 A C -0.923 176.716 177.584 0.092 0.000 1.119 180 A CA -0.566 51.522 52.037 0.085 0.000 0.790 180 A CB 1.424 20.476 19.000 0.087 0.000 1.273 180 A HN 1.494 nan 8.150 nan 0.000 0.452 181 V N 1.329 121.328 119.914 0.142 0.000 2.407 181 V HA 0.589 4.709 4.120 -0.000 0.000 0.291 181 V C 0.373 176.540 176.094 0.121 0.000 1.018 181 V CA -0.376 62.013 62.300 0.149 0.000 0.842 181 V CB 1.167 33.136 31.823 0.243 0.000 0.996 181 V HN 1.159 nan 8.190 nan 0.000 0.426 182 A N 6.981 129.857 122.820 0.093 0.000 2.316 182 A HA 0.687 5.007 4.320 -0.000 0.000 0.311 182 A C 0.114 177.748 177.584 0.083 0.000 1.339 182 A CA -0.413 51.671 52.037 0.078 0.000 0.960 182 A CB 0.023 19.058 19.000 0.059 0.000 1.152 182 A HN 0.842 nan 8.150 nan 0.000 0.547 183 M N 3.395 123.044 119.600 0.083 0.000 2.188 183 M HA 0.245 4.725 4.480 -0.000 0.000 0.354 183 M C 0.031 176.374 176.300 0.072 0.000 1.342 183 M CA 0.458 55.806 55.300 0.081 0.000 1.117 183 M CB 0.482 33.127 32.600 0.075 0.000 1.670 183 M HN 0.463 nan 8.290 nan 0.000 0.466 184 K N 1.582 122.034 120.400 0.087 0.000 2.433 184 K HA 0.672 4.992 4.320 -0.000 0.000 0.252 184 K C 0.100 176.764 176.600 0.106 0.000 1.015 184 K CA -0.583 55.756 56.287 0.086 0.000 0.860 184 K CB 1.941 34.490 32.500 0.082 0.000 1.359 184 K HN 0.783 nan 8.250 nan 0.000 0.452 185 G N 0.613 109.468 108.800 0.093 0.000 2.546 185 G HA2 0.191 4.151 3.960 -0.000 0.000 0.239 185 G HA3 0.191 4.151 3.960 -0.000 0.000 0.239 185 G C -1.779 173.237 174.900 0.193 0.000 1.476 185 G CA -0.602 44.553 45.100 0.092 0.000 1.064 185 G HN 0.245 nan 8.290 nan 0.000 0.561 186 P HA 0.036 nan 4.420 nan 0.000 0.220 186 P C 0.421 177.860 177.300 0.233 0.000 1.148 186 P CA 0.903 64.105 63.100 0.170 0.000 0.803 186 P CB 0.247 31.990 31.700 0.073 0.000 0.782 187 R N -0.594 119.961 120.500 0.092 0.000 2.561 187 R HA 0.398 4.738 4.340 -0.000 0.000 0.297 187 R C 0.082 176.312 176.300 -0.117 0.000 0.969 187 R CA -0.454 55.631 56.100 -0.024 0.000 0.879 187 R CB 2.317 32.613 30.300 -0.007 0.000 1.178 187 R HN -0.169 nan 8.270 nan 0.000 0.445 188 V N -1.558 118.208 119.914 -0.246 0.000 3.400 188 V HA 0.140 4.260 4.120 -0.000 0.000 0.281 188 V C 1.423 177.424 176.094 -0.156 0.000 1.617 188 V CA -0.027 62.141 62.300 -0.219 0.000 1.044 188 V CB 0.597 32.213 31.823 -0.344 0.000 0.858 188 V HN 0.768 nan 8.190 nan 0.000 0.425 189 E N 1.725 121.841 120.200 -0.141 0.000 2.070 189 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 189 E C 2.028 178.593 176.600 -0.057 0.000 1.004 189 E CA 2.443 58.790 56.400 -0.087 0.000 0.805 189 E CB -0.002 29.661 29.700 -0.061 0.000 0.744 189 E HN 0.818 nan 8.360 nan 0.000 0.451 190 E N 0.016 120.186 120.200 -0.049 0.000 2.072 190 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 190 E C 2.074 178.655 176.600 -0.031 0.000 0.985 190 E CA 0.974 57.354 56.400 -0.033 0.000 0.801 190 E CB 0.023 29.707 29.700 -0.026 0.000 0.750 190 E HN 0.301 nan 8.360 nan 0.000 0.452 191 E N 0.403 120.581 120.200 -0.038 0.000 2.153 191 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 191 E C 2.049 178.630 176.600 -0.031 0.000 0.988 191 E CA 0.634 57.016 56.400 -0.031 0.000 0.811 191 E CB 0.075 29.757 29.700 -0.030 0.000 0.746 191 E HN 0.241 nan 8.360 nan 0.000 0.466 192 L N 0.122 121.321 121.223 -0.041 0.000 2.209 192 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 192 L C 2.521 179.375 176.870 -0.026 0.000 1.094 192 L CA 0.474 55.293 54.840 -0.035 0.000 0.790 192 L CB -0.317 41.714 42.059 -0.047 0.000 0.932 192 L HN 0.112 nan 8.230 nan 0.000 0.447 193 A N 1.164 123.968 122.820 -0.026 0.000 1.903 193 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 193 A C -0.312 177.263 177.584 -0.015 0.000 1.191 193 A CA 2.107 54.133 52.037 -0.019 0.000 0.638 193 A CB -1.845 17.145 19.000 -0.018 0.000 0.823 193 A HN 0.362 nan 8.150 nan 0.000 0.451 194 P HA 0.182 nan 4.420 nan 0.000 0.268 194 P C 0.996 178.286 177.300 -0.016 0.000 1.329 194 P CA -0.195 62.897 63.100 -0.013 0.000 0.899 194 P CB 0.318 32.011 31.700 -0.011 0.000 1.378 195 L N 1.189 122.401 121.223 -0.018 0.000 2.044 195 L HA 0.135 4.475 4.340 -0.000 0.000 0.205 195 L C -0.860 175.997 176.870 -0.021 0.000 1.075 195 L CA 2.038 56.865 54.840 -0.021 0.000 0.747 195 L CB -1.904 40.144 42.059 -0.019 0.000 0.903 195 L HN -0.060 nan 8.230 nan 0.000 0.435 196 P HA -0.162 nan 4.420 nan 0.000 0.217 196 P C -1.351 175.939 177.300 -0.017 0.000 1.158 196 P CA 2.298 65.390 63.100 -0.014 0.000 0.887 196 P CB -1.276 30.419 31.700 -0.009 0.000 0.792 197 P HA -0.132 nan 4.420 nan 0.000 0.216 197 P C 1.437 178.721 177.300 -0.028 0.000 1.150 197 P CA 1.966 65.057 63.100 -0.015 0.000 0.837 197 P CB -0.635 31.059 31.700 -0.010 0.000 0.786 198 A N -0.568 122.228 122.820 -0.041 0.000 1.898 198 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 198 A C 2.227 179.757 177.584 -0.090 0.000 1.181 198 A CA 1.229 53.221 52.037 -0.075 0.000 0.620 198 A CB -1.587 17.368 19.000 -0.075 0.000 0.819 198 A HN 0.083 nan 8.150 nan 0.000 0.442 199 L N -0.681 120.507 121.223 -0.058 0.000 2.012 199 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 199 L C 2.771 179.618 176.870 -0.039 0.000 1.073 199 L CA 1.961 56.773 54.840 -0.047 0.000 0.748 199 L CB -0.607 41.437 42.059 -0.025 0.000 0.891 199 L HN 0.541 nan 8.230 nan 0.000 0.431 200 E N 0.489 120.673 120.200 -0.025 0.000 2.058 200 E HA -0.241 4.108 4.350 -0.000 0.000 0.194 200 E C 2.306 178.902 176.600 -0.005 0.000 0.997 200 E CA 1.298 57.692 56.400 -0.010 0.000 0.801 200 E CB 0.053 29.751 29.700 -0.003 0.000 0.746 200 E HN 0.427 nan 8.360 nan 0.000 0.450 201 R N -0.099 120.390 120.500 -0.019 0.000 2.159 201 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 201 R C 2.367 178.668 176.300 0.001 0.000 1.131 201 R CA 0.787 56.891 56.100 0.007 0.000 0.982 201 R CB -0.198 30.094 30.300 -0.013 0.000 0.868 201 R HN 0.252 nan 8.270 nan 0.000 0.453 202 L N -0.620 120.554 121.223 -0.081 0.000 2.558 202 L HA 0.160 4.500 4.340 -0.000 0.000 0.225 202 L C 1.078 177.954 176.870 0.010 0.000 1.128 202 L CA 0.410 55.207 54.840 -0.072 0.000 0.868 202 L CB 0.280 42.254 42.059 -0.142 0.000 1.006 202 L HN 0.424 nan 8.230 nan 0.000 0.454 203 G N -0.069 108.739 108.800 0.014 0.000 2.132 203 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.228 203 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.228 203 G C 0.324 175.234 174.900 0.016 0.000 1.000 203 G CA -0.129 44.985 45.100 0.023 0.000 0.693 203 G HN 0.517 nan 8.290 nan 0.000 0.515 204 G N -0.782 108.021 108.800 0.004 0.000 2.644 204 G HA2 1.004 4.963 3.960 -0.000 0.000 0.307 204 G HA3 1.004 4.963 3.960 -0.000 0.000 0.307 204 G C -0.371 174.530 174.900 0.001 0.000 1.250 204 G CA -0.313 44.790 45.100 0.006 0.000 0.996 204 G HN 1.165 nan 8.290 nan 0.000 0.489 205 R N -1.357 119.145 120.500 0.003 0.000 2.710 205 R HA 0.594 4.934 4.340 -0.000 0.000 0.270 205 R C -1.599 174.702 176.300 0.003 0.000 1.021 205 R CA -0.998 55.103 56.100 0.001 0.000 0.889 205 R CB 1.084 31.385 30.300 0.002 0.000 1.243 205 R HN 0.441 nan 8.270 nan 0.000 0.464 206 L N 2.135 123.359 121.223 0.002 0.000 2.361 206 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 206 L C 0.498 177.371 176.870 0.006 0.000 1.113 206 L CA 0.843 55.686 54.840 0.005 0.000 0.849 206 L CB 0.899 42.960 42.059 0.003 0.000 1.155 206 L HN 0.893 nan 8.230 nan 0.000 0.452 207 G N 3.973 112.778 108.800 0.008 0.000 2.829 207 G HA2 0.182 4.142 3.960 -0.000 0.000 0.173 207 G HA3 0.182 4.142 3.960 -0.000 0.000 0.173 207 G C -0.426 174.481 174.900 0.012 0.000 1.476 207 G CA -0.581 44.523 45.100 0.006 0.000 1.072 207 G HN 0.627 nan 8.290 nan 0.000 0.577 208 E N -0.868 119.341 120.200 0.013 0.000 2.413 208 E HA 0.255 4.605 4.350 -0.000 0.000 0.263 208 E C -0.754 175.870 176.600 0.040 0.000 1.015 208 E CA 0.009 56.423 56.400 0.024 0.000 0.916 208 E CB 1.507 31.221 29.700 0.022 0.000 0.947 208 E HN -0.001 nan 8.360 nan 0.000 0.440 209 V N 5.518 125.462 119.914 0.051 0.000 2.257 209 V HA 0.127 4.247 4.120 -0.000 0.000 0.269 209 V C -0.162 175.995 176.094 0.105 0.000 1.040 209 V CA -0.385 61.963 62.300 0.081 0.000 0.813 209 V CB 0.474 32.341 31.823 0.073 0.000 1.065 209 V HN 0.523 nan 8.190 nan 0.000 0.457 210 L N 4.957 126.234 121.223 0.091 0.000 2.342 210 L HA 0.638 4.978 4.340 -0.000 0.000 0.285 210 L C 0.774 177.662 176.870 0.030 0.000 1.095 210 L CA 0.002 54.879 54.840 0.061 0.000 0.843 210 L CB 0.626 42.715 42.059 0.050 0.000 1.201 210 L HN 0.647 nan 8.230 nan 0.000 0.445 211 A N 7.149 129.965 122.820 -0.006 0.000 2.328 211 A HA 0.683 5.003 4.320 -0.000 0.000 0.284 211 A C -0.586 176.910 177.584 -0.148 0.000 1.160 211 A CA -0.465 51.452 52.037 -0.199 0.000 0.818 211 A CB 0.569 19.480 19.000 -0.148 0.000 1.087 211 A HN 0.820 nan 8.150 nan 0.000 0.504 212 L N -0.629 120.478 121.223 -0.193 0.000 2.600 212 L HA 0.793 5.133 4.340 -0.000 0.000 0.257 212 L C -0.929 175.874 176.870 -0.112 0.000 1.048 212 L CA -1.132 53.644 54.840 -0.107 0.000 0.869 212 L CB 1.614 43.637 42.059 -0.059 0.000 1.482 212 L HN 0.462 nan 8.230 nan 0.000 0.408 213 Q N 1.294 121.051 119.800 -0.071 0.000 2.257 213 Q HA 0.520 4.860 4.340 -0.000 0.000 0.255 213 Q C -0.896 175.073 176.000 -0.051 0.000 0.920 213 Q CA -0.399 55.368 55.803 -0.061 0.000 0.927 213 Q CB 1.736 30.447 28.738 -0.045 0.000 1.229 213 Q HN 0.611 nan 8.270 nan 0.000 0.433 214 L N 6.908 128.099 121.223 -0.054 0.000 2.530 214 L HA 0.317 4.657 4.340 -0.000 0.000 0.273 214 L C -2.308 174.536 176.870 -0.044 0.000 1.141 214 L CA -1.264 53.547 54.840 -0.049 0.000 0.905 214 L CB 0.197 42.221 42.059 -0.059 0.000 1.202 214 L HN 0.545 nan 8.230 nan 0.000 0.473 215 P HA 0.048 nan 4.420 nan 0.000 0.265 215 P C 0.252 177.528 177.300 -0.039 0.000 1.187 215 P CA 0.095 63.175 63.100 -0.034 0.000 0.766 215 P CB 0.295 31.977 31.700 -0.029 0.000 0.820 216 L N 0.303 121.505 121.223 -0.035 0.000 4.496 216 L HA -0.311 4.029 4.340 -0.000 0.000 0.419 216 L C 1.096 177.940 176.870 -0.043 0.000 1.139 216 L CA 1.188 56.006 54.840 -0.037 0.000 0.975 216 L CB -2.489 39.546 42.059 -0.040 0.000 2.099 216 L HN 0.581 nan 8.230 nan 0.000 0.818 217 S N -2.073 113.601 115.700 -0.044 0.000 2.727 217 S HA 0.466 4.936 4.470 -0.000 0.000 0.249 217 S C 1.410 175.985 174.600 -0.041 0.000 1.079 217 S CA 1.098 59.269 58.200 -0.048 0.000 0.912 217 S CB 1.508 64.672 63.200 -0.061 0.000 0.861 217 S HN 1.287 nan 8.310 nan 0.000 0.484 218 G N 1.061 109.839 108.800 -0.037 0.000 2.136 218 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 218 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 218 G C -0.337 174.544 174.900 -0.032 0.000 0.989 218 G CA 0.323 45.404 45.100 -0.031 0.000 0.682 218 G HN 0.638 nan 8.290 nan 0.000 0.522 219 E N -0.112 120.065 120.200 -0.039 0.000 2.212 219 E HA 0.683 5.033 4.350 -0.000 0.000 0.268 219 E C 0.374 176.947 176.600 -0.046 0.000 0.902 219 E CA -0.275 56.102 56.400 -0.038 0.000 0.779 219 E CB 1.825 31.499 29.700 -0.043 0.000 1.172 219 E HN 0.578 nan 8.360 nan 0.000 0.409 220 A N 3.020 125.815 122.820 -0.043 0.000 2.302 220 A HA 0.625 4.945 4.320 -0.000 0.000 0.285 220 A C -0.228 177.304 177.584 -0.086 0.000 1.105 220 A CA -0.451 51.540 52.037 -0.077 0.000 0.816 220 A CB 0.612 19.573 19.000 -0.065 0.000 1.067 220 A HN 0.458 nan 8.150 nan 0.000 0.489 221 R N -0.228 120.165 120.500 -0.177 0.000 2.799 221 R HA 0.521 4.861 4.340 -0.000 0.000 0.270 221 R C -1.725 174.376 176.300 -0.331 0.000 1.010 221 R CA -0.653 55.368 56.100 -0.131 0.000 0.916 221 R CB 1.637 31.898 30.300 -0.066 0.000 1.228 221 R HN 0.922 nan 8.270 nan 0.000 0.469 222 H N 0.417 119.496 119.070 0.014 0.000 2.840 222 H HA 0.420 4.976 4.556 -0.000 0.000 0.340 222 H C -0.671 174.676 175.328 0.032 0.000 1.004 222 H CA -0.454 55.606 56.048 0.021 0.000 1.288 222 H CB 1.701 31.473 29.762 0.017 0.000 1.607 222 H HN 0.134 nan 8.280 nan 0.000 0.522 223 L N 3.916 125.219 121.223 0.133 0.000 2.264 223 L HA 0.358 4.698 4.340 -0.000 0.000 0.287 223 L C -0.469 176.469 176.870 0.114 0.000 1.039 223 L CA -0.893 54.018 54.840 0.117 0.000 0.829 223 L CB 0.853 42.977 42.059 0.109 0.000 1.211 223 L HN 0.351 nan 8.230 nan 0.000 0.427 224 V N 4.835 124.811 119.914 0.102 0.000 2.368 224 V HA 0.170 4.289 4.120 -0.000 0.000 0.266 224 V C 0.410 176.544 176.094 0.067 0.000 1.045 224 V CA -0.505 61.840 62.300 0.076 0.000 0.899 224 V CB 1.580 33.436 31.823 0.056 0.000 1.006 224 V HN 0.391 nan 8.190 nan 0.000 0.470 225 V N 7.369 127.316 119.914 0.054 0.000 2.432 225 V HA 0.313 4.433 4.120 -0.000 0.000 0.271 225 V C 0.108 176.219 176.094 0.029 0.000 1.046 225 V CA -0.254 62.070 62.300 0.040 0.000 0.945 225 V CB 1.140 32.976 31.823 0.020 0.000 0.992 225 V HN 0.615 nan 8.190 nan 0.000 0.471 226 L N 5.615 126.856 121.223 0.031 0.000 2.295 226 L HA 0.514 4.854 4.340 -0.000 0.000 0.281 226 L C 0.226 177.108 176.870 0.021 0.000 1.018 226 L CA -0.331 54.524 54.840 0.025 0.000 0.841 226 L CB 1.099 43.177 42.059 0.032 0.000 1.218 226 L HN 0.622 nan 8.230 nan 0.000 0.424 227 E N 2.340 122.547 120.200 0.011 0.000 2.301 227 E HA 0.201 4.551 4.350 -0.000 0.000 0.275 227 E C -0.548 176.061 176.600 0.016 0.000 1.030 227 E CA -0.783 55.621 56.400 0.008 0.000 0.852 227 E CB 1.626 31.325 29.700 -0.001 0.000 1.060 227 E HN 0.153 nan 8.360 nan 0.000 0.401 228 K N 1.779 122.192 120.400 0.021 0.000 2.250 228 K HA 0.059 4.379 4.320 -0.000 0.000 0.280 228 K C 0.482 177.094 176.600 0.021 0.000 1.098 228 K CA 0.072 56.376 56.287 0.029 0.000 0.916 228 K CB 0.516 33.043 32.500 0.046 0.000 1.209 228 K HN 0.491 nan 8.250 nan 0.000 0.461 229 T N 1.028 115.592 114.554 0.017 0.000 3.040 229 T HA 0.420 4.770 4.350 -0.000 0.000 0.252 229 T C 0.172 174.881 174.700 0.015 0.000 1.064 229 T CA 0.605 62.713 62.100 0.013 0.000 1.110 229 T CB 0.138 69.011 68.868 0.009 0.000 0.921 229 T HN 0.471 nan 8.240 nan 0.000 0.480 230 A N 1.074 123.906 122.820 0.020 0.000 2.594 230 A HA 0.759 5.079 4.320 -0.000 0.000 0.291 230 A C -3.058 174.543 177.584 0.028 0.000 1.105 230 A CA -1.736 50.314 52.037 0.021 0.000 0.694 230 A CB 0.850 19.862 19.000 0.020 0.000 1.291 230 A HN 0.157 nan 8.150 nan 0.000 0.410 231 P HA 0.181 nan 4.420 nan 0.000 0.265 231 P C -0.166 177.160 177.300 0.043 0.000 1.193 231 P CA 0.566 63.685 63.100 0.032 0.000 0.765 231 P CB 0.306 32.020 31.700 0.024 0.000 0.823 232 T N 5.723 120.308 114.554 0.051 0.000 2.870 232 T HA 0.220 4.570 4.350 -0.000 0.000 0.300 232 T C -1.995 172.753 174.700 0.080 0.000 0.989 232 T CA -0.748 61.400 62.100 0.081 0.000 1.139 232 T CB -0.338 68.576 68.868 0.078 0.000 0.920 232 T HN 0.297 nan 8.240 nan 0.000 0.537 233 P HA 0.152 nan 4.420 nan 0.000 0.272 233 P C -1.593 175.691 177.300 -0.027 0.000 1.230 233 P CA -1.509 61.619 63.100 0.046 0.000 0.788 233 P CB 0.088 31.828 31.700 0.067 0.000 0.949 234 P HA -0.215 nan 4.420 nan 0.000 0.218 234 P C 1.020 178.204 177.300 -0.194 0.000 1.146 234 P CA 1.505 64.544 63.100 -0.101 0.000 0.813 234 P CB -0.349 31.299 31.700 -0.086 0.000 0.778 235 A N -1.561 121.033 122.820 -0.377 0.000 2.024 235 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 235 A C 0.577 177.765 177.584 -0.659 0.000 1.164 235 A CA 1.135 52.782 52.037 -0.651 0.000 0.643 235 A CB -1.014 17.341 19.000 -1.074 0.000 0.806 235 A HN 0.192 nan 8.150 nan 0.000 0.451 236 Y N -1.027 119.255 120.300 -0.029 0.000 2.485 236 Y HA 0.528 5.078 4.550 -0.000 0.000 0.345 236 Y C -2.426 173.435 175.900 -0.064 0.000 0.998 236 Y CA -3.513 54.565 58.100 -0.037 0.000 1.059 236 Y CB 1.137 39.580 38.460 -0.028 0.000 1.234 236 Y HN -0.030 nan 8.280 nan 0.000 0.461 237 P HA 0.348 nan 4.420 nan 0.000 0.279 237 P C -0.655 176.699 177.300 0.089 0.000 1.252 237 P CA -0.603 62.576 63.100 0.130 0.000 0.811 237 P CB 1.445 33.162 31.700 0.028 0.000 1.035 238 R N 0.437 121.014 120.500 0.128 0.000 2.652 238 R HA 0.304 4.644 4.340 -0.000 0.000 0.271 238 R C 1.022 177.348 176.300 0.043 0.000 1.129 238 R CA -0.593 55.548 56.100 0.068 0.000 1.200 238 R CB 0.232 30.589 30.300 0.095 0.000 1.146 238 R HN 0.441 nan 8.270 nan 0.000 0.581 239 R N 1.046 121.562 120.500 0.027 0.000 2.817 239 R HA -0.016 4.324 4.340 -0.000 0.000 0.264 239 R C -2.097 174.220 176.300 0.029 0.000 1.009 239 R CA -0.943 55.169 56.100 0.019 0.000 1.133 239 R CB -0.362 29.947 30.300 0.015 0.000 1.013 239 R HN 0.344 nan 8.270 nan 0.000 0.453 240 P HA -0.079 nan 4.420 nan 0.000 0.262 240 P C 0.538 177.856 177.300 0.030 0.000 1.182 240 P CA 1.263 64.376 63.100 0.022 0.000 0.761 240 P CB 0.528 32.233 31.700 0.008 0.000 0.795 241 G N 1.580 110.400 108.800 0.034 0.000 2.268 241 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.240 241 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.240 241 G C 1.013 175.939 174.900 0.044 0.000 1.010 241 G CA 0.247 45.366 45.100 0.032 0.000 0.618 241 G HN 0.398 nan 8.290 nan 0.000 0.516 242 V N 2.024 121.978 119.914 0.067 0.000 2.379 242 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 242 V C 0.660 176.821 176.094 0.112 0.000 1.044 242 V CA 2.608 64.976 62.300 0.114 0.000 1.036 242 V CB -0.982 30.910 31.823 0.114 0.000 0.664 242 V HN 0.373 nan 8.190 nan 0.000 0.453 243 P HA -0.199 nan 4.420 nan 0.000 0.215 243 P C 1.676 179.001 177.300 0.041 0.000 1.153 243 P CA 1.627 64.769 63.100 0.069 0.000 0.853 243 P CB 0.066 31.798 31.700 0.054 0.000 0.788 244 E N -0.202 120.012 120.200 0.024 0.000 2.051 244 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 244 E C 2.291 178.864 176.600 -0.046 0.000 0.991 244 E CA 1.000 57.398 56.400 -0.003 0.000 0.799 244 E CB -0.192 29.508 29.700 -0.001 0.000 0.748 244 E HN -0.011 nan 8.360 nan 0.000 0.449 245 R N -0.911 119.542 120.500 -0.079 0.000 2.153 245 R HA -0.041 4.299 4.340 -0.000 0.000 0.218 245 R C 0.301 176.312 176.300 -0.482 0.000 1.072 245 R CA 0.860 56.806 56.100 -0.257 0.000 0.990 245 R CB 0.257 30.401 30.300 -0.259 0.000 0.889 245 R HN 0.231 nan 8.270 nan 0.000 0.452 246 H N 0.183 119.264 119.070 0.019 0.000 2.429 246 H HA 0.302 4.858 4.556 -0.000 0.000 0.231 246 H C -2.481 172.859 175.328 0.020 0.000 1.416 246 H CA -2.225 53.835 56.048 0.020 0.000 1.443 246 H CB 1.207 30.985 29.762 0.026 0.000 1.591 246 H HN 0.151 nan 8.280 nan 0.000 0.507 247 P HA 0.008 nan 4.420 nan 0.000 0.267 247 P C 1.344 178.669 177.300 0.041 0.000 1.200 247 P CA -0.171 62.954 63.100 0.042 0.000 0.772 247 P CB 1.374 33.083 31.700 0.015 0.000 0.855 248 L N 0.792 122.017 121.223 0.004 0.000 2.456 248 L HA -0.037 4.303 4.340 -0.000 0.000 0.224 248 L C 0.992 177.853 176.870 -0.014 0.000 1.148 248 L CA 0.830 55.659 54.840 -0.019 0.000 0.825 248 L CB -0.482 41.512 42.059 -0.108 0.000 0.937 248 L HN 0.594 nan 8.230 nan 0.000 0.450 249 c N 0.000 118.595 118.600 -0.009 0.000 2.653 249 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 249 c CA 0.000 56.325 56.329 -0.006 0.000 1.963 249 c CB 0.000 42.500 42.510 -0.016 0.000 2.134 249 c HN 0.000 nan 8.230 nan 0.000 0.568