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 2vrm_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.504 175.510 -0.010 0.000 1.280 3 N CA 0.000 52.926 53.050 -0.207 0.000 0.885 3 N CB 0.000 38.409 38.487 -0.130 0.000 1.341 4 K N 1.853 122.260 120.400 0.011 0.000 2.172 4 K HA 0.583 4.903 4.320 -0.000 0.000 0.276 4 K C 0.249 176.887 176.600 0.063 0.000 1.013 4 K CA -0.326 55.982 56.287 0.036 0.000 0.913 4 K CB 1.631 34.139 32.500 0.013 0.000 1.055 4 K HN 0.705 nan 8.250 nan 0.000 0.461 5 C N -1.173 118.167 119.300 0.067 0.000 3.295 5 C HA 0.349 4.809 4.460 -0.000 0.000 0.341 5 C C 0.550 175.574 174.990 0.057 0.000 1.418 5 C CA -0.786 58.273 59.018 0.068 0.000 1.240 5 C CB 0.937 28.732 27.740 0.090 0.000 1.562 5 C HN 0.823 nan 8.230 nan 0.000 0.457 6 D N 0.280 120.717 120.400 0.061 0.000 2.162 6 D HA 0.128 4.768 4.640 -0.000 0.000 0.205 6 D C 0.348 176.712 176.300 0.107 0.000 0.964 6 D CA 1.629 55.675 54.000 0.076 0.000 0.847 6 D CB 0.316 41.163 40.800 0.077 0.000 0.988 6 D HN 0.501 nan 8.370 nan 0.000 0.480 7 V N 1.719 121.687 119.914 0.089 0.000 2.569 7 V HA 0.209 4.329 4.120 -0.000 0.000 0.301 7 V C -0.101 176.022 176.094 0.048 0.000 1.044 7 V CA -0.840 61.514 62.300 0.090 0.000 0.874 7 V CB 2.658 34.525 31.823 0.073 0.000 1.002 7 V HN -0.242 nan 8.190 nan 0.000 0.424 8 V N 5.483 125.420 119.914 0.039 0.000 2.461 8 V HA 0.347 4.467 4.120 -0.000 0.000 0.275 8 V C 0.080 176.162 176.094 -0.019 0.000 1.047 8 V CA -0.307 61.985 62.300 -0.014 0.000 0.955 8 V CB 1.737 33.543 31.823 -0.027 0.000 0.988 8 V HN 0.632 nan 8.190 nan 0.000 0.471 9 V N 6.182 126.068 119.914 -0.045 0.000 2.370 9 V HA 0.312 4.432 4.120 -0.000 0.000 0.279 9 V C -0.002 176.058 176.094 -0.056 0.000 1.029 9 V CA -0.568 61.710 62.300 -0.036 0.000 0.870 9 V CB 1.751 33.556 31.823 -0.029 0.000 0.984 9 V HN 0.609 nan 8.190 nan 0.000 0.451 10 V N 4.543 124.437 119.914 -0.034 0.000 2.353 10 V HA 0.802 4.922 4.120 -0.000 0.000 0.264 10 V C 0.692 176.783 176.094 -0.006 0.000 1.049 10 V CA 0.380 62.661 62.300 -0.033 0.000 0.896 10 V CB 0.358 32.176 31.823 -0.008 0.000 1.025 10 V HN 1.266 nan 8.190 nan 0.000 0.475 11 G N 3.560 112.344 108.800 -0.026 0.000 3.367 11 G HA2 0.190 4.150 3.960 -0.000 0.000 0.686 11 G HA3 0.190 4.150 3.960 -0.000 0.000 0.686 11 G C 0.064 174.960 174.900 -0.007 0.000 1.146 11 G CA -0.518 44.580 45.100 -0.004 0.000 0.913 11 G HN 1.194 nan 8.290 nan 0.000 0.554 12 G N 0.796 109.590 108.800 -0.011 0.000 4.125 12 G HA2 0.676 4.636 3.960 -0.000 0.000 0.301 12 G HA3 0.676 4.636 3.960 -0.000 0.000 0.301 12 G C 0.881 175.791 174.900 0.017 0.000 1.273 12 G CA 0.920 46.015 45.100 -0.008 0.000 1.095 12 G HN 1.274 nan 8.290 nan 0.000 0.582 13 G N -0.149 108.673 108.800 0.036 0.000 2.535 13 G HA2 0.355 4.315 3.960 -0.000 0.000 0.282 13 G HA3 0.355 4.315 3.960 -0.000 0.000 0.282 13 G C 1.193 176.117 174.900 0.039 0.000 1.350 13 G CA -0.767 44.364 45.100 0.053 0.000 1.039 13 G HN 0.138 nan 8.290 nan 0.000 0.509 14 I N -0.523 120.073 120.570 0.044 0.000 2.194 14 I HA -0.233 3.937 4.170 -0.000 0.000 0.246 14 I C 3.034 179.172 176.117 0.036 0.000 1.093 14 I CA 1.765 63.084 61.300 0.032 0.000 1.355 14 I CB -0.103 37.919 38.000 0.037 0.000 1.046 14 I HN 0.483 nan 8.210 nan 0.000 0.413 15 S N 0.482 116.215 115.700 0.055 0.000 2.356 15 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 15 S C 2.100 176.724 174.600 0.040 0.000 1.032 15 S CA 1.613 59.849 58.200 0.060 0.000 1.005 15 S CB -0.608 62.646 63.200 0.090 0.000 0.867 15 S HN 0.570 nan 8.310 nan 0.000 0.449 16 G N 1.604 110.426 108.800 0.036 0.000 2.418 16 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 16 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 16 G C 1.478 176.378 174.900 -0.000 0.000 1.158 16 G CA 0.995 46.105 45.100 0.017 0.000 0.771 16 G HN 0.406 nan 8.290 nan 0.000 0.545 17 M N 1.266 120.865 119.600 -0.003 0.000 2.086 17 M HA 0.042 4.522 4.480 -0.000 0.000 0.261 17 M C 3.035 179.325 176.300 -0.017 0.000 1.067 17 M CA 1.340 56.629 55.300 -0.018 0.000 1.116 17 M CB -1.388 31.199 32.600 -0.022 0.000 1.348 17 M HN 0.312 nan 8.290 nan 0.000 0.407 18 A N 0.379 123.195 122.820 -0.006 0.000 1.908 18 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 18 A C 2.473 180.053 177.584 -0.006 0.000 1.181 18 A CA 2.277 54.311 52.037 -0.005 0.000 0.627 18 A CB -0.942 18.061 19.000 0.005 0.000 0.818 18 A HN 0.486 nan 8.150 nan 0.000 0.445 19 A N -0.161 122.655 122.820 -0.005 0.000 1.877 19 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 19 A C 2.538 180.115 177.584 -0.011 0.000 1.186 19 A CA 2.231 54.260 52.037 -0.015 0.000 0.620 19 A CB -1.097 17.896 19.000 -0.013 0.000 0.822 19 A HN 1.078 nan 8.150 nan 0.000 0.443 20 A N -0.324 122.491 122.820 -0.009 0.000 1.902 20 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 20 A C 2.144 179.740 177.584 0.021 0.000 1.181 20 A CA 2.026 54.062 52.037 -0.002 0.000 0.623 20 A CB -0.506 18.480 19.000 -0.022 0.000 0.818 20 A HN 0.557 nan 8.150 nan 0.000 0.443 21 K N -0.459 119.942 120.400 0.002 0.000 2.044 21 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 21 K C 1.998 178.637 176.600 0.064 0.000 1.049 21 K CA 1.697 58.000 56.287 0.026 0.000 0.927 21 K CB -0.339 32.159 32.500 -0.003 0.000 0.713 21 K HN 0.464 nan 8.250 nan 0.000 0.443 22 L N 1.079 122.317 121.223 0.025 0.000 2.017 22 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 22 L C 2.230 179.107 176.870 0.013 0.000 1.073 22 L CA 1.239 56.085 54.840 0.011 0.000 0.745 22 L CB -0.171 41.879 42.059 -0.016 0.000 0.894 22 L HN 0.258 nan 8.230 nan 0.000 0.432 23 L N -1.074 120.158 121.223 0.014 0.000 2.017 23 L HA -0.283 4.057 4.340 -0.000 0.000 0.208 23 L C 2.612 179.504 176.870 0.036 0.000 1.073 23 L CA 1.637 56.481 54.840 0.007 0.000 0.745 23 L CB -0.869 41.191 42.059 0.002 0.000 0.894 23 L HN 0.422 nan 8.230 nan 0.000 0.432 24 H N 0.263 119.320 119.070 -0.021 0.000 2.319 24 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 24 H C 1.786 177.105 175.328 -0.014 0.000 1.092 24 H CA 2.130 58.170 56.048 -0.015 0.000 1.302 24 H CB 0.003 29.757 29.762 -0.014 0.000 1.373 24 H HN 0.233 nan 8.280 nan 0.000 0.497 25 D N -0.573 119.837 120.400 0.016 0.000 2.218 25 D HA -0.088 4.552 4.640 -0.000 0.000 0.204 25 D C 1.884 178.135 176.300 -0.081 0.000 0.976 25 D CA 1.187 55.160 54.000 -0.045 0.000 0.853 25 D CB -0.184 40.632 40.800 0.027 0.000 0.939 25 D HN 0.349 nan 8.370 nan 0.000 0.481 26 S N -1.179 114.482 115.700 -0.064 0.000 2.562 26 S HA 0.242 4.712 4.470 -0.000 0.000 0.221 26 S C 1.626 176.182 174.600 -0.074 0.000 0.975 26 S CA 0.621 58.786 58.200 -0.059 0.000 0.918 26 S CB 0.695 63.869 63.200 -0.043 0.000 0.772 26 S HN 0.450 nan 8.310 nan 0.000 0.531 27 G N 0.851 109.580 108.800 -0.117 0.000 2.179 27 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 27 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 27 G C -0.042 174.815 174.900 -0.073 0.000 0.990 27 G CA -0.394 44.639 45.100 -0.112 0.000 0.646 27 G HN 0.405 nan 8.290 nan 0.000 0.517 28 L N 0.913 122.107 121.223 -0.049 0.000 2.418 28 L HA 0.428 4.768 4.340 -0.000 0.000 0.265 28 L C 0.155 177.036 176.870 0.019 0.000 1.143 28 L CA -1.021 53.816 54.840 -0.006 0.000 0.809 28 L CB 0.576 42.639 42.059 0.007 0.000 1.124 28 L HN 0.017 nan 8.230 nan 0.000 0.456 29 N N 2.097 120.819 118.700 0.037 0.000 2.408 29 N HA 0.305 5.045 4.740 -0.000 0.000 0.257 29 N C -0.701 174.849 175.510 0.068 0.000 1.064 29 N CA -0.126 52.960 53.050 0.061 0.000 0.952 29 N CB 1.788 40.306 38.487 0.052 0.000 1.093 29 N HN 0.378 nan 8.380 nan 0.000 0.490 30 V N 0.154 120.116 119.914 0.080 0.000 2.769 30 V HA 0.704 4.824 4.120 -0.000 0.000 0.312 30 V C -0.268 175.846 176.094 0.034 0.000 1.061 30 V CA -0.703 61.630 62.300 0.055 0.000 0.931 30 V CB 1.931 33.784 31.823 0.050 0.000 1.010 30 V HN 0.175 nan 8.190 nan 0.000 0.433 31 V N 4.257 124.173 119.914 0.003 0.000 2.604 31 V HA 0.577 4.697 4.120 -0.000 0.000 0.305 31 V C -0.300 175.733 176.094 -0.101 0.000 1.043 31 V CA -0.542 61.728 62.300 -0.050 0.000 0.888 31 V CB 2.088 33.870 31.823 -0.069 0.000 0.995 31 V HN 0.845 nan 8.190 nan 0.000 0.429 32 V N 6.088 125.934 119.914 -0.114 0.000 2.384 32 V HA 0.452 4.572 4.120 -0.000 0.000 0.287 32 V C -0.262 175.731 176.094 -0.168 0.000 1.020 32 V CA -0.434 61.797 62.300 -0.115 0.000 0.850 32 V CB 1.496 33.273 31.823 -0.077 0.000 0.987 32 V HN 0.604 nan 8.190 nan 0.000 0.436 33 L N 4.598 125.705 121.223 -0.193 0.000 2.262 33 L HA 0.596 4.936 4.340 -0.000 0.000 0.288 33 L C -0.196 176.585 176.870 -0.149 0.000 1.035 33 L CA -0.359 54.348 54.840 -0.222 0.000 0.820 33 L CB 1.424 43.309 42.059 -0.290 0.000 1.204 33 L HN 0.602 nan 8.230 nan 0.000 0.424 34 E N 2.339 122.457 120.200 -0.138 0.000 2.176 34 E HA 0.477 4.827 4.350 -0.000 0.000 0.267 34 E C 0.340 176.830 176.600 -0.184 0.000 0.893 34 E CA -0.334 55.989 56.400 -0.129 0.000 0.761 34 E CB 2.053 31.700 29.700 -0.089 0.000 1.133 34 E HN 0.547 nan 8.360 nan 0.000 0.409 35 A N 5.482 128.130 122.820 -0.286 0.000 1.933 35 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 35 A C 1.099 178.439 177.584 -0.407 0.000 1.175 35 A CA 1.022 52.748 52.037 -0.519 0.000 0.628 35 A CB -0.177 18.111 19.000 -1.186 0.000 0.814 35 A HN 0.598 nan 8.150 nan 0.000 0.444 36 R N -0.110 120.232 120.500 -0.263 0.000 2.580 36 R HA 0.240 4.580 4.340 -0.000 0.000 0.267 36 R C 0.139 176.390 176.300 -0.082 0.000 1.125 36 R CA 0.147 56.169 56.100 -0.129 0.000 1.188 36 R CB 0.172 30.435 30.300 -0.062 0.000 1.155 36 R HN 0.459 nan 8.270 nan 0.000 0.586 37 D N 0.396 120.766 120.400 -0.050 0.000 2.323 37 D HA -0.035 4.605 4.640 -0.000 0.000 0.239 37 D C -0.081 176.210 176.300 -0.016 0.000 1.129 37 D CA 0.116 54.098 54.000 -0.029 0.000 0.865 37 D CB -0.061 40.728 40.800 -0.017 0.000 0.913 37 D HN 0.429 nan 8.370 nan 0.000 0.517 38 R N -1.323 119.167 120.500 -0.018 0.000 2.764 38 R HA 0.598 4.938 4.340 -0.000 0.000 0.270 38 R C -0.762 175.547 176.300 0.014 0.000 1.014 38 R CA -1.131 54.977 56.100 0.012 0.000 0.904 38 R CB 1.196 31.518 30.300 0.037 0.000 1.236 38 R HN -0.096 nan 8.270 nan 0.000 0.466 39 V N -1.696 118.239 119.914 0.035 0.000 3.109 39 V HA 0.874 4.994 4.120 -0.000 0.000 0.317 39 V C 0.865 177.008 176.094 0.081 0.000 1.074 39 V CA 0.410 62.731 62.300 0.036 0.000 1.033 39 V CB 0.828 32.660 31.823 0.014 0.000 1.111 39 V HN 1.199 nan 8.190 nan 0.000 0.458 40 G N -0.564 108.284 108.800 0.081 0.000 2.391 40 G HA2 0.159 4.119 3.960 -0.000 0.000 0.204 40 G HA3 0.159 4.119 3.960 -0.000 0.000 0.204 40 G C 1.589 176.573 174.900 0.140 0.000 1.012 40 G CA 0.746 45.916 45.100 0.116 0.000 0.651 40 G HN 2.594 nan 8.290 nan 0.000 0.494 41 G N 0.654 109.547 108.800 0.155 0.000 2.646 41 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.324 41 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.324 41 G C 1.002 176.061 174.900 0.265 0.000 1.195 41 G CA 1.565 46.777 45.100 0.186 0.000 0.976 41 G HN 1.168 nan 8.290 nan 0.000 0.546 42 R N 1.787 122.347 120.500 0.101 0.000 2.323 42 R HA 0.199 4.539 4.340 -0.000 0.000 0.198 42 R C 1.168 177.344 176.300 -0.205 0.000 0.988 42 R CA 1.106 57.077 56.100 -0.216 0.000 1.041 42 R CB -0.199 29.948 30.300 -0.256 0.000 0.926 42 R HN 0.713 nan 8.270 nan 0.000 0.476 43 T N -2.337 112.260 114.554 0.073 0.000 2.867 43 T HA 0.353 4.703 4.350 -0.000 0.000 0.282 43 T C -0.939 173.989 174.700 0.380 0.000 1.000 43 T CA -0.629 61.568 62.100 0.162 0.000 1.042 43 T CB 1.560 70.493 68.868 0.107 0.000 0.973 43 T HN 0.103 nan 8.240 nan 0.000 0.465 44 Y N 1.298 121.750 120.300 0.253 0.000 2.313 44 Y HA 0.436 4.986 4.550 -0.000 0.000 0.320 44 Y C -1.221 174.793 175.900 0.191 0.000 1.171 44 Y CA -0.908 57.340 58.100 0.247 0.000 1.093 44 Y CB 1.558 40.228 38.460 0.349 0.000 1.224 44 Y HN 0.879 nan 8.280 nan 0.000 0.421 45 T N 7.813 122.215 114.554 -0.253 0.000 2.770 45 T HA 0.403 4.753 4.350 -0.000 0.000 0.297 45 T C -0.818 173.568 174.700 -0.525 0.000 0.997 45 T CA -0.399 61.529 62.100 -0.286 0.000 0.949 45 T CB 0.629 69.448 68.868 -0.082 0.000 0.941 45 T HN 0.580 nan 8.240 nan 0.000 0.457 46 L N 4.490 125.406 121.223 -0.513 0.000 2.305 46 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 46 L C -0.289 176.512 176.870 -0.116 0.000 1.085 46 L CA -0.135 54.497 54.840 -0.347 0.000 0.813 46 L CB 0.412 42.327 42.059 -0.240 0.000 1.157 46 L HN 0.432 nan 8.230 nan 0.000 0.436 47 R N 3.648 124.106 120.500 -0.069 0.000 2.437 47 R HA 0.620 4.960 4.340 -0.000 0.000 0.310 47 R C -1.068 175.210 176.300 -0.036 0.000 0.955 47 R CA -0.587 55.495 56.100 -0.031 0.000 0.851 47 R CB 1.234 31.529 30.300 -0.009 0.000 1.161 47 R HN 0.865 nan 8.270 nan 0.000 0.446 48 N N -1.079 117.582 118.700 -0.065 0.000 2.825 48 N HA 0.051 4.791 4.740 -0.000 0.000 0.253 48 N C -0.124 175.323 175.510 -0.104 0.000 1.426 48 N CA -0.964 52.045 53.050 -0.069 0.000 0.851 48 N CB 0.765 39.215 38.487 -0.061 0.000 1.470 48 N HN 0.297 nan 8.380 nan 0.000 0.517 49 Q N -0.164 119.586 119.800 -0.083 0.000 2.224 49 Q HA -0.035 4.305 4.340 -0.000 0.000 0.203 49 Q C 0.503 176.457 176.000 -0.076 0.000 0.970 49 Q CA 1.328 57.097 55.803 -0.057 0.000 0.865 49 Q CB 0.043 28.761 28.738 -0.034 0.000 0.922 49 Q HN 0.544 nan 8.270 nan 0.000 0.445 50 K N 0.152 120.413 120.400 -0.231 0.000 2.097 50 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 50 K C 2.063 178.436 176.600 -0.379 0.000 1.050 50 K CA 1.497 57.535 56.287 -0.416 0.000 0.938 50 K CB -0.171 31.742 32.500 -0.978 0.000 0.718 50 K HN 0.338 nan 8.250 nan 0.000 0.442 51 V N -2.450 117.197 119.914 -0.444 0.000 3.661 51 V HA 0.197 4.317 4.120 -0.000 0.000 0.271 51 V C 1.481 177.177 176.094 -0.663 0.000 1.315 51 V CA 0.820 62.821 62.300 -0.497 0.000 1.072 51 V CB 0.101 31.650 31.823 -0.457 0.000 0.830 51 V HN 0.336 nan 8.190 nan 0.000 0.443 52 K N 0.556 120.645 120.400 -0.519 0.000 10.883 52 K HA -0.306 4.014 4.320 -0.000 0.000 0.526 52 K C 0.127 176.613 176.600 -0.190 0.000 0.382 52 K CA 2.423 58.439 56.287 -0.451 0.000 1.943 52 K CB -1.500 30.510 32.500 -0.817 0.000 0.766 52 K HN 0.931 nan 8.250 nan 0.000 1.214 53 Y N -1.600 118.541 120.300 -0.264 0.000 2.534 53 Y HA 0.740 5.290 4.550 -0.000 0.000 0.345 53 Y C -1.183 174.667 175.900 -0.083 0.000 1.031 53 Y CA -0.756 57.255 58.100 -0.148 0.000 1.022 53 Y CB 2.142 40.536 38.460 -0.110 0.000 1.292 53 Y HN 0.023 nan 8.280 nan 0.000 0.459 54 V N 2.600 122.563 119.914 0.082 0.000 2.777 54 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 54 V C -1.527 174.614 176.094 0.079 0.000 1.112 54 V CA -0.649 61.705 62.300 0.089 0.000 0.917 54 V CB 1.880 33.775 31.823 0.120 0.000 1.018 54 V HN 0.920 nan 8.190 nan 0.000 0.426 55 D N 5.770 126.233 120.400 0.105 0.000 2.358 55 D HA 0.262 4.902 4.640 -0.000 0.000 0.258 55 D C 0.820 177.197 176.300 0.128 0.000 1.223 55 D CA 0.299 54.349 54.000 0.082 0.000 0.886 55 D CB 1.790 42.615 40.800 0.041 0.000 1.120 55 D HN 0.520 nan 8.370 nan 0.000 0.482 56 L N 1.478 122.829 121.223 0.214 0.000 2.616 56 L HA 0.228 4.568 4.340 -0.000 0.000 0.229 56 L C 1.488 178.765 176.870 0.678 0.000 1.110 56 L CA 0.017 55.088 54.840 0.385 0.000 0.884 56 L CB 0.407 42.694 42.059 0.380 0.000 1.115 56 L HN 0.343 nan 8.230 nan 0.000 0.481 57 G N -0.798 108.309 108.800 0.511 0.000 3.234 57 G HA2 0.432 4.392 3.960 -0.000 0.000 0.159 57 G HA3 0.432 4.392 3.960 -0.000 0.000 0.159 57 G C -0.149 174.769 174.900 0.030 0.000 1.175 57 G CA -0.068 45.137 45.100 0.175 0.000 0.900 57 G HN 0.070 nan 8.290 nan 0.000 0.621 58 G N -0.805 107.940 108.800 -0.092 0.000 2.368 58 G HA2 0.360 4.320 3.960 -0.000 0.000 0.233 58 G HA3 0.360 4.320 3.960 -0.000 0.000 0.233 58 G C 0.555 175.431 174.900 -0.041 0.000 1.267 58 G CA 0.986 46.045 45.100 -0.069 0.000 0.873 58 G HN 0.941 nan 8.290 nan 0.000 0.539 59 S N 1.086 116.707 115.700 -0.131 0.000 3.364 59 S HA 0.171 4.641 4.470 -0.000 0.000 0.257 59 S C 0.087 174.441 174.600 -0.411 0.000 1.098 59 S CA -0.341 57.680 58.200 -0.298 0.000 0.888 59 S CB -0.115 62.758 63.200 -0.544 0.000 0.925 59 S HN 0.491 nan 8.310 nan 0.000 0.442 60 Y N 2.924 123.183 120.300 -0.068 0.000 2.309 60 Y HA 0.525 5.075 4.550 -0.000 0.000 0.327 60 Y C 0.313 176.078 175.900 -0.225 0.000 1.172 60 Y CA -0.208 57.800 58.100 -0.153 0.000 1.280 60 Y CB 1.114 39.529 38.460 -0.076 0.000 1.234 60 Y HN 0.150 nan 8.280 nan 0.000 0.512 61 V N -0.446 119.345 119.914 -0.204 0.000 3.114 61 V HA 1.092 5.212 4.120 -0.000 0.000 0.308 61 V C -0.395 175.505 176.094 -0.324 0.000 1.168 61 V CA -0.479 61.619 62.300 -0.335 0.000 1.015 61 V CB 1.706 33.259 31.823 -0.450 0.000 1.050 61 V HN 0.968 nan 8.190 nan 0.000 0.433 62 G N 0.457 109.025 108.800 -0.386 0.000 2.619 62 G HA2 0.741 4.701 3.960 -0.000 0.000 0.305 62 G HA3 0.741 4.701 3.960 -0.000 0.000 0.305 62 G C -3.444 171.289 174.900 -0.278 0.000 1.330 62 G CA -1.106 43.819 45.100 -0.293 0.000 0.789 62 G HN 0.725 nan 8.290 nan 0.000 0.487 63 P HA 0.118 nan 4.420 nan 0.000 0.266 63 P C 0.809 178.077 177.300 -0.053 0.000 1.193 63 P CA 1.983 65.031 63.100 -0.088 0.000 0.770 63 P CB 0.800 32.477 31.700 -0.037 0.000 0.836 64 T N -1.702 112.857 114.554 0.008 0.000 7.013 64 T HA -0.265 4.085 4.350 -0.000 0.000 0.288 64 T C 0.246 174.955 174.700 0.015 0.000 2.146 64 T CA 1.122 63.304 62.100 0.138 0.000 3.498 64 T CB -2.709 66.376 68.868 0.361 0.000 1.517 64 T HN 0.606 nan 8.240 nan 0.000 1.113 65 Q N 1.319 120.950 119.800 -0.283 0.000 3.150 65 Q HA 0.375 4.715 4.340 -0.000 0.000 0.297 65 Q C 0.834 176.727 176.000 -0.179 0.000 1.382 65 Q CA -0.484 55.056 55.803 -0.439 0.000 1.059 65 Q CB 0.245 28.539 28.738 -0.741 0.000 1.559 65 Q HN 0.486 nan 8.270 nan 0.000 0.548 66 N N 0.866 119.533 118.700 -0.054 0.000 2.354 66 N HA -0.051 4.689 4.740 -0.000 0.000 0.179 66 N C 1.259 176.775 175.510 0.011 0.000 1.021 66 N CA 0.763 53.811 53.050 -0.004 0.000 0.887 66 N CB 0.278 38.787 38.487 0.036 0.000 0.974 66 N HN 0.373 nan 8.380 nan 0.000 0.437 67 R N 0.498 121.009 120.500 0.018 0.000 2.062 67 R HA 0.018 4.358 4.340 -0.000 0.000 0.229 67 R C 2.031 178.344 176.300 0.022 0.000 1.128 67 R CA 0.694 56.811 56.100 0.030 0.000 0.960 67 R CB -0.372 29.958 30.300 0.051 0.000 0.855 67 R HN 0.082 nan 8.270 nan 0.000 0.432 68 I N 1.373 121.950 120.570 0.011 0.000 2.226 68 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 68 I C 1.864 178.043 176.117 0.104 0.000 1.100 68 I CA 1.419 62.750 61.300 0.051 0.000 1.374 68 I CB -0.140 37.897 38.000 0.061 0.000 1.057 68 I HN 0.099 nan 8.210 nan 0.000 0.413 69 L N 0.160 121.427 121.223 0.073 0.000 2.012 69 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 69 L C 2.776 179.688 176.870 0.070 0.000 1.073 69 L CA 1.620 56.520 54.840 0.099 0.000 0.748 69 L CB -0.929 41.143 42.059 0.022 0.000 0.891 69 L HN 0.261 nan 8.230 nan 0.000 0.431 70 R N 0.714 121.236 120.500 0.036 0.000 2.081 70 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 70 R C 2.298 178.603 176.300 0.008 0.000 1.131 70 R CA 1.761 57.874 56.100 0.022 0.000 0.960 70 R CB -0.666 29.646 30.300 0.020 0.000 0.856 70 R HN 0.259 nan 8.270 nan 0.000 0.436 71 L N 1.077 122.301 121.223 0.001 0.000 2.017 71 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 71 L C 2.416 179.246 176.870 -0.066 0.000 1.073 71 L CA 2.319 57.144 54.840 -0.025 0.000 0.745 71 L CB -0.848 41.196 42.059 -0.025 0.000 0.894 71 L HN 0.238 nan 8.230 nan 0.000 0.432 72 A N -0.679 122.088 122.820 -0.090 0.000 1.898 72 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 72 A C 2.459 179.977 177.584 -0.110 0.000 1.181 72 A CA 1.858 53.767 52.037 -0.213 0.000 0.620 72 A CB -0.644 18.099 19.000 -0.429 0.000 0.819 72 A HN 0.497 nan 8.150 nan 0.000 0.442 73 K N -0.202 120.190 120.400 -0.015 0.000 2.063 73 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 73 K C 2.071 178.660 176.600 -0.018 0.000 1.048 73 K CA 1.822 58.111 56.287 0.004 0.000 0.928 73 K CB -0.194 32.322 32.500 0.028 0.000 0.713 73 K HN 0.636 nan 8.250 nan 0.000 0.442 74 E N 0.516 120.703 120.200 -0.022 0.000 2.153 74 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 74 E C 1.683 178.261 176.600 -0.036 0.000 0.988 74 E CA 0.913 57.300 56.400 -0.022 0.000 0.811 74 E CB -0.008 29.682 29.700 -0.017 0.000 0.746 74 E HN 0.367 nan 8.360 nan 0.000 0.466 75 L N -0.574 120.612 121.223 -0.062 0.000 2.599 75 L HA 0.161 4.501 4.340 -0.000 0.000 0.230 75 L C 1.365 178.191 176.870 -0.074 0.000 1.141 75 L CA 0.451 55.245 54.840 -0.077 0.000 0.877 75 L CB 0.099 42.090 42.059 -0.114 0.000 1.009 75 L HN 0.394 nan 8.230 nan 0.000 0.447 76 G N 0.309 109.074 108.800 -0.058 0.000 2.130 76 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 76 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 76 G C 0.053 174.924 174.900 -0.048 0.000 0.999 76 G CA -0.381 44.694 45.100 -0.043 0.000 0.686 76 G HN 0.189 nan 8.290 nan 0.000 0.515 77 L N -0.082 121.100 121.223 -0.069 0.000 2.379 77 L HA 0.662 5.002 4.340 -0.000 0.000 0.269 77 L C 0.609 177.512 176.870 0.056 0.000 1.084 77 L CA -0.622 54.182 54.840 -0.060 0.000 0.802 77 L CB 1.213 43.129 42.059 -0.238 0.000 1.175 77 L HN 0.159 nan 8.230 nan 0.000 0.448 78 E N 0.411 120.683 120.200 0.121 0.000 2.227 78 E HA 0.395 4.745 4.350 -0.000 0.000 0.268 78 E C -0.786 175.966 176.600 0.253 0.000 0.907 78 E CA -0.581 55.914 56.400 0.157 0.000 0.786 78 E CB 2.415 32.184 29.700 0.115 0.000 1.191 78 E HN 0.656 nan 8.360 nan 0.000 0.411 79 T N -0.724 113.931 114.554 0.169 0.000 2.944 79 T HA 0.595 4.945 4.350 -0.000 0.000 0.284 79 T C -0.655 174.120 174.700 0.124 0.000 1.010 79 T CA -0.649 61.480 62.100 0.048 0.000 1.025 79 T CB 0.691 69.468 68.868 -0.151 0.000 1.079 79 T HN 0.495 nan 8.240 nan 0.000 0.516 80 Y N -1.348 118.945 120.300 -0.012 0.000 2.609 80 Y HA 0.719 5.269 4.550 0.000 0.000 0.342 80 Y C -0.777 175.121 175.900 -0.004 0.000 1.058 80 Y CA -1.560 56.546 58.100 0.009 0.000 1.055 80 Y CB 1.418 39.904 38.460 0.044 0.000 1.292 80 Y HN 0.626 nan 8.280 nan 0.000 0.476 81 K N 2.310 122.780 120.400 0.117 0.000 2.258 81 K HA 0.419 4.739 4.320 -0.000 0.000 0.284 81 K C -0.835 175.818 176.600 0.088 0.000 1.051 81 K CA -0.736 55.565 56.287 0.023 0.000 0.923 81 K CB 1.509 34.044 32.500 0.059 0.000 1.046 81 K HN 0.603 nan 8.250 nan 0.000 0.474 82 V N 3.361 123.263 119.914 -0.021 0.000 2.694 82 V HA -0.135 3.985 4.120 -0.000 0.000 0.306 82 V C 0.638 176.782 176.094 0.083 0.000 1.054 82 V CA -0.054 62.286 62.300 0.068 0.000 1.161 82 V CB 0.034 31.880 31.823 0.037 0.000 0.916 82 V HN 0.734 nan 8.190 nan 0.000 0.490 83 N N 3.993 122.766 118.700 0.122 0.000 2.434 83 N HA 0.010 4.750 4.740 -0.000 0.000 0.268 83 N C 0.297 175.834 175.510 0.044 0.000 1.256 83 N CA 0.540 53.648 53.050 0.097 0.000 0.914 83 N CB 0.250 38.819 38.487 0.137 0.000 1.088 83 N HN 0.832 nan 8.380 nan 0.000 0.478 84 E N 2.838 123.055 120.200 0.028 0.000 3.067 84 E HA 0.099 4.449 4.350 -0.000 0.000 0.188 84 E C 0.413 177.016 176.600 0.005 0.000 0.964 84 E CA -0.040 56.358 56.400 -0.002 0.000 1.286 84 E CB 0.311 29.997 29.700 -0.023 0.000 1.051 84 E HN 0.441 nan 8.360 nan 0.000 0.465 85 V N 0.567 120.495 119.914 0.024 0.000 2.270 85 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 85 V C 1.000 177.105 176.094 0.018 0.000 1.043 85 V CA 1.664 63.976 62.300 0.021 0.000 1.014 85 V CB -0.166 31.671 31.823 0.023 0.000 0.645 85 V HN 0.247 nan 8.190 nan 0.000 0.447 86 E N -0.672 119.546 120.200 0.029 0.000 3.188 86 E HA 0.363 4.713 4.350 -0.000 0.000 0.262 86 E C 0.280 176.893 176.600 0.023 0.000 1.341 86 E CA -0.591 55.829 56.400 0.034 0.000 1.140 86 E CB 0.194 29.928 29.700 0.057 0.000 1.306 86 E HN 0.299 nan 8.360 nan 0.000 0.694 87 R N 0.172 120.705 120.500 0.057 0.000 2.539 87 R HA 0.253 4.593 4.340 -0.000 0.000 0.275 87 R C -0.479 175.779 176.300 -0.069 0.000 1.077 87 R CA -0.505 55.605 56.100 0.016 0.000 1.097 87 R CB 0.136 30.513 30.300 0.129 0.000 1.018 87 R HN 0.183 nan 8.270 nan 0.000 0.483 88 L N 2.714 123.713 121.223 -0.374 0.000 2.456 88 L HA 0.374 4.714 4.340 -0.000 0.000 0.257 88 L C 0.159 176.787 176.870 -0.404 0.000 1.162 88 L CA 0.213 54.722 54.840 -0.551 0.000 0.808 88 L CB 0.560 41.963 42.059 -1.093 0.000 1.136 88 L HN 0.459 nan 8.230 nan 0.000 0.466 89 I N 0.406 120.882 120.570 -0.157 0.000 2.436 89 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 89 I C -0.589 175.788 176.117 0.433 0.000 1.010 89 I CA -0.472 60.889 61.300 0.102 0.000 1.098 89 I CB 1.497 39.427 38.000 -0.117 0.000 1.266 89 I HN 0.541 nan 8.210 nan 0.000 0.434 90 H N 5.451 124.829 119.070 0.514 0.000 2.581 90 H HA 0.303 4.859 4.556 -0.000 0.000 0.308 90 H C -1.231 174.348 175.328 0.418 0.000 1.040 90 H CA -0.714 55.607 56.048 0.456 0.000 1.231 90 H CB 0.803 30.790 29.762 0.374 0.000 1.396 90 H HN 0.607 nan 8.280 nan 0.000 0.467 91 H N 4.510 123.737 119.070 0.262 0.000 2.597 91 H HA 0.380 4.936 4.556 -0.000 0.000 0.303 91 H C -1.420 173.929 175.328 0.036 0.000 1.057 91 H CA -0.393 55.731 56.048 0.126 0.000 1.261 91 H CB 0.755 30.584 29.762 0.112 0.000 1.397 91 H HN 0.331 nan 8.280 nan 0.000 0.461 92 V N 6.072 125.855 119.914 -0.219 0.000 2.686 92 V HA 0.253 4.373 4.120 -0.000 0.000 0.306 92 V C -0.665 175.367 176.094 -0.104 0.000 1.065 92 V CA -0.883 61.323 62.300 -0.156 0.000 0.894 92 V CB 1.399 33.032 31.823 -0.318 0.000 1.004 92 V HN 1.031 nan 8.190 nan 0.000 0.424 93 K N 4.803 125.177 120.400 -0.044 0.000 3.257 93 K HA -0.202 4.118 4.320 -0.000 0.000 0.270 93 K C 0.886 177.447 176.600 -0.064 0.000 0.984 93 K CA 0.808 57.085 56.287 -0.016 0.000 0.739 93 K CB -1.459 31.047 32.500 0.011 0.000 1.351 93 K HN 1.864 nan 8.250 nan 0.000 0.463 94 G N 0.205 108.937 108.800 -0.113 0.000 2.168 94 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 94 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 94 G C -0.102 174.635 174.900 -0.271 0.000 0.997 94 G CA 1.144 46.209 45.100 -0.058 0.000 0.708 94 G HN 0.464 nan 8.290 nan 0.000 0.520 95 K N -0.226 119.786 120.400 -0.646 0.000 2.498 95 K HA 0.588 4.908 4.320 -0.000 0.000 0.254 95 K C -0.629 175.607 176.600 -0.607 0.000 0.933 95 K CA -0.561 55.434 56.287 -0.486 0.000 0.806 95 K CB 1.395 33.705 32.500 -0.318 0.000 1.301 95 K HN 0.046 nan 8.250 nan 0.000 0.432 96 S N 2.334 117.816 115.700 -0.364 0.000 2.480 96 S HA 0.399 4.869 4.470 -0.000 0.000 0.286 96 S C -1.413 172.964 174.600 -0.372 0.000 1.180 96 S CA -0.374 57.745 58.200 -0.136 0.000 1.075 96 S CB 0.273 63.508 63.200 0.059 0.000 0.996 96 S HN 0.400 nan 8.310 nan 0.000 0.487 97 Y N 2.708 123.098 120.300 0.149 0.000 2.555 97 Y HA 0.348 4.898 4.550 0.000 0.000 0.326 97 Y C -2.499 173.602 175.900 0.336 0.000 0.984 97 Y CA -2.387 55.840 58.100 0.211 0.000 1.298 97 Y CB 0.731 39.308 38.460 0.195 0.000 1.094 97 Y HN 0.458 nan 8.280 nan 0.000 0.500 98 P HA 0.230 nan 4.420 nan 0.000 0.271 98 P C -0.859 176.725 177.300 0.474 0.000 1.218 98 P CA 0.006 63.323 63.100 0.361 0.000 0.780 98 P CB 0.586 32.501 31.700 0.358 0.000 0.901 99 F N -1.193 118.893 119.950 0.226 0.000 2.713 99 F HA 0.631 5.158 4.527 0.000 0.000 0.311 99 F C -1.085 174.809 175.800 0.157 0.000 1.141 99 F CA -1.298 56.824 58.000 0.203 0.000 0.939 99 F CB 1.308 40.439 39.000 0.218 0.000 1.325 99 F HN 0.046 nan 8.300 nan 0.000 0.453 100 R N 1.253 121.917 120.500 0.274 0.000 2.758 100 R HA 0.793 5.133 4.340 -0.000 0.000 0.265 100 R C -0.177 176.306 176.300 0.306 0.000 1.016 100 R CA -0.739 55.447 56.100 0.143 0.000 1.040 100 R CB 1.431 31.804 30.300 0.122 0.000 1.152 100 R HN 1.488 nan 8.270 nan 0.000 0.503 101 G N 1.344 110.250 108.800 0.177 0.000 2.758 101 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 101 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 101 G C -1.851 173.213 174.900 0.274 0.000 1.389 101 G CA -0.755 44.464 45.100 0.198 0.000 0.845 101 G HN 0.436 nan 8.290 nan 0.000 0.572 102 P HA -0.005 nan 4.420 nan 0.000 0.218 102 P C 0.663 178.015 177.300 0.086 0.000 1.149 102 P CA 1.180 64.291 63.100 0.018 0.000 0.817 102 P CB 0.184 31.748 31.700 -0.226 0.000 0.785 103 F N 1.805 121.800 119.950 0.075 0.000 2.444 103 F HA 0.382 4.909 4.527 -0.000 0.000 0.342 103 F C -1.903 173.627 175.800 -0.449 0.000 1.121 103 F CA -3.225 54.672 58.000 -0.171 0.000 0.997 103 F CB 1.885 40.733 39.000 -0.253 0.000 1.130 103 F HN -0.233 nan 8.300 nan 0.000 0.454 104 P HA 0.136 nan 4.420 nan 0.000 0.276 104 P C -2.617 174.348 177.300 -0.558 0.000 1.235 104 P CA -1.314 61.037 63.100 -1.248 0.000 0.772 104 P CB 0.147 31.284 31.700 -0.938 0.000 0.871 105 P HA 0.134 nan 4.420 nan 0.000 0.272 105 P C -0.759 176.360 177.300 -0.301 0.000 1.223 105 P CA -0.033 62.886 63.100 -0.301 0.000 0.784 105 P CB 0.655 32.261 31.700 -0.157 0.000 0.923 106 V N 1.892 121.546 119.914 -0.433 0.000 2.531 106 V HA 0.232 4.352 4.120 -0.000 0.000 0.301 106 V C 0.033 175.893 176.094 -0.389 0.000 1.034 106 V CA -0.182 61.903 62.300 -0.358 0.000 0.865 106 V CB 1.758 33.291 31.823 -0.484 0.000 0.995 106 V HN 0.693 nan 8.190 nan 0.000 0.424 107 W N 0.865 122.124 121.300 -0.069 0.000 2.777 107 W HA 0.233 4.893 4.660 -0.000 0.000 0.260 107 W C 1.330 177.833 176.519 -0.026 0.000 1.194 107 W CA -0.155 57.165 57.345 -0.041 0.000 1.447 107 W CB 0.250 29.681 29.460 -0.049 0.000 1.009 107 W HN 0.510 nan 8.180 nan 0.000 0.613 108 N N 2.409 121.206 118.700 0.161 0.000 2.412 108 N HA -0.054 4.686 4.740 -0.000 0.000 0.258 108 N C -1.757 173.807 175.510 0.089 0.000 1.236 108 N CA -0.252 52.860 53.050 0.102 0.000 0.882 108 N CB 1.476 40.005 38.487 0.070 0.000 1.066 108 N HN -0.131 nan 8.380 nan 0.000 0.465 109 P HA -0.064 nan 4.420 nan 0.000 0.217 109 P C 1.512 178.869 177.300 0.095 0.000 1.151 109 P CA 0.662 63.802 63.100 0.067 0.000 0.828 109 P CB 0.356 32.077 31.700 0.035 0.000 0.788 110 I N -0.591 120.021 120.570 0.070 0.000 2.233 110 I HA -0.145 4.025 4.170 -0.000 0.000 0.243 110 I C 1.982 178.145 176.117 0.077 0.000 1.093 110 I CA 1.760 63.095 61.300 0.058 0.000 1.380 110 I CB -2.039 35.989 38.000 0.048 0.000 1.067 110 I HN 0.009 nan 8.210 nan 0.000 0.413 111 T N 0.619 115.226 114.554 0.089 0.000 2.665 111 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 111 T C 1.891 176.649 174.700 0.095 0.000 1.035 111 T CA 1.751 63.919 62.100 0.112 0.000 1.151 111 T CB -0.731 68.175 68.868 0.063 0.000 0.862 111 T HN 0.308 nan 8.240 nan 0.000 0.438 112 Y N 1.777 122.040 120.300 -0.062 0.000 2.114 112 Y HA -0.156 4.394 4.550 -0.000 0.000 0.282 112 Y C 2.078 177.958 175.900 -0.033 0.000 1.165 112 Y CA 1.246 59.285 58.100 -0.100 0.000 1.148 112 Y CB -0.525 37.851 38.460 -0.139 0.000 0.972 112 Y HN 0.128 nan 8.280 nan 0.000 0.504 113 L N -0.268 121.015 121.223 0.100 0.000 2.046 113 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 113 L C 2.184 179.008 176.870 -0.077 0.000 1.077 113 L CA 1.783 56.630 54.840 0.012 0.000 0.747 113 L CB -0.610 41.470 42.059 0.034 0.000 0.896 113 L HN 0.232 nan 8.230 nan 0.000 0.432 114 D N -0.997 119.387 120.400 -0.026 0.000 2.117 114 D HA -0.192 4.448 4.640 -0.000 0.000 0.198 114 D C 2.182 178.427 176.300 -0.093 0.000 0.982 114 D CA 1.206 55.188 54.000 -0.029 0.000 0.828 114 D CB 0.084 40.907 40.800 0.038 0.000 0.967 114 D HN 0.298 nan 8.370 nan 0.000 0.464 115 H N -0.242 118.702 119.070 -0.210 0.000 2.293 115 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 115 H C 2.135 177.312 175.328 -0.252 0.000 1.082 115 H CA 1.218 57.115 56.048 -0.251 0.000 1.308 115 H CB -0.207 29.419 29.762 -0.227 0.000 1.375 115 H HN 0.282 nan 8.280 nan 0.000 0.495 116 N N 1.122 119.679 118.700 -0.237 0.000 2.104 116 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 116 N C 1.764 177.180 175.510 -0.156 0.000 1.024 116 N CA 0.984 53.875 53.050 -0.265 0.000 0.853 116 N CB -0.193 38.023 38.487 -0.453 0.000 1.008 116 N HN 0.421 nan 8.380 nan 0.000 0.424 117 N N -0.232 118.375 118.700 -0.155 0.000 2.300 117 N HA -0.149 4.591 4.740 -0.000 0.000 0.179 117 N C 1.868 177.276 175.510 -0.171 0.000 1.016 117 N CA 0.382 53.349 53.050 -0.138 0.000 0.876 117 N CB -0.250 38.170 38.487 -0.111 0.000 0.979 117 N HN 0.194 nan 8.380 nan 0.000 0.432 118 F N 1.015 120.744 119.950 -0.368 0.000 2.046 118 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 118 F C 1.713 177.210 175.800 -0.504 0.000 1.123 118 F CA 1.824 59.511 58.000 -0.521 0.000 1.199 118 F CB -0.849 37.658 39.000 -0.822 0.000 0.972 118 F HN 0.068 nan 8.300 nan 0.000 0.474 119 W N 0.545 121.633 121.300 -0.354 0.000 2.338 119 W HA -0.137 4.523 4.660 0.000 0.000 0.304 119 W C 2.795 179.096 176.519 -0.364 0.000 1.212 119 W CA 1.401 58.495 57.345 -0.419 0.000 1.264 119 W CB -0.646 28.654 29.460 -0.267 0.000 1.142 119 W HN -0.038 nan 8.180 nan 0.000 0.512 120 R N 0.202 120.644 120.500 -0.095 0.000 2.075 120 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 120 R C 1.891 178.086 176.300 -0.175 0.000 1.126 120 R CA 2.033 58.064 56.100 -0.116 0.000 0.963 120 R CB -0.658 29.571 30.300 -0.119 0.000 0.858 120 R HN 0.030 nan 8.270 nan 0.000 0.435 121 T N 1.533 115.939 114.554 -0.248 0.000 2.746 121 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 121 T C 1.883 176.396 174.700 -0.311 0.000 1.039 121 T CA 1.476 63.421 62.100 -0.258 0.000 1.142 121 T CB -0.069 68.645 68.868 -0.256 0.000 0.866 121 T HN 0.182 nan 8.240 nan 0.000 0.444 122 M N 1.524 120.856 119.600 -0.448 0.000 2.082 122 M HA -0.131 4.349 4.480 -0.000 0.000 0.258 122 M C 1.858 178.029 176.300 -0.215 0.000 1.069 122 M CA 1.578 56.655 55.300 -0.371 0.000 1.102 122 M CB -1.024 31.320 32.600 -0.426 0.000 1.336 122 M HN 0.199 nan 8.290 nan 0.000 0.404 123 D N 0.458 120.758 120.400 -0.167 0.000 2.123 123 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 123 D C 1.602 177.839 176.300 -0.105 0.000 0.976 123 D CA 1.018 54.947 54.000 -0.120 0.000 0.831 123 D CB -0.332 40.413 40.800 -0.090 0.000 0.974 123 D HN 0.286 nan 8.370 nan 0.000 0.469 124 D N 0.511 120.847 120.400 -0.107 0.000 2.106 124 D HA -0.149 4.491 4.640 -0.000 0.000 0.191 124 D C 2.204 178.490 176.300 -0.024 0.000 0.997 124 D CA 0.886 54.845 54.000 -0.067 0.000 0.834 124 D CB -0.312 40.446 40.800 -0.070 0.000 0.956 124 D HN 0.252 nan 8.370 nan 0.000 0.448 125 M N 0.252 119.806 119.600 -0.078 0.000 2.117 125 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 125 M C 2.359 178.700 176.300 0.068 0.000 1.065 125 M CA 1.696 56.968 55.300 -0.048 0.000 1.114 125 M CB -0.481 31.820 32.600 -0.498 0.000 1.361 125 M HN 0.042 nan 8.290 nan 0.000 0.408 126 G N 0.219 108.996 108.800 -0.038 0.000 2.432 126 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 126 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 126 G C 1.606 176.502 174.900 -0.007 0.000 1.135 126 G CA 0.567 45.650 45.100 -0.028 0.000 0.767 126 G HN 0.412 nan 8.290 nan 0.000 0.550 127 R N 0.202 120.694 120.500 -0.013 0.000 2.241 127 R HA -0.001 4.339 4.340 -0.000 0.000 0.224 127 R C 1.576 177.880 176.300 0.007 0.000 1.101 127 R CA 0.839 56.927 56.100 -0.021 0.000 0.995 127 R CB 0.053 30.335 30.300 -0.029 0.000 0.870 127 R HN 0.276 nan 8.270 nan 0.000 0.463 128 E N 0.322 120.565 120.200 0.072 0.000 2.479 128 E HA 0.094 4.444 4.350 -0.000 0.000 0.193 128 E C 0.067 176.689 176.600 0.037 0.000 1.049 128 E CA 0.333 56.766 56.400 0.055 0.000 0.870 128 E CB 0.410 30.165 29.700 0.091 0.000 0.944 128 E HN 0.338 nan 8.360 nan 0.000 0.492 129 I N 2.698 123.305 120.570 0.062 0.000 2.354 129 I HA 0.218 4.388 4.170 -0.000 0.000 0.286 129 I C -2.432 173.680 176.117 -0.010 0.000 1.007 129 I CA -2.400 58.931 61.300 0.052 0.000 1.167 129 I CB 1.462 39.559 38.000 0.162 0.000 1.320 129 I HN -0.355 nan 8.210 nan 0.000 0.458 130 P HA 0.113 nan 4.420 nan 0.000 0.267 130 P C 0.556 177.814 177.300 -0.070 0.000 1.209 130 P CA 0.214 63.237 63.100 -0.128 0.000 0.763 130 P CB 0.912 32.480 31.700 -0.220 0.000 0.816 131 S N 2.338 118.021 115.700 -0.029 0.000 2.370 131 S HA -0.177 4.293 4.470 -0.000 0.000 0.226 131 S C 1.316 176.005 174.600 0.149 0.000 1.033 131 S CA 1.897 60.163 58.200 0.110 0.000 1.011 131 S CB -0.622 62.554 63.200 -0.039 0.000 0.852 131 S HN 0.677 nan 8.310 nan 0.000 0.457 132 D N 0.601 120.944 120.400 -0.094 0.000 2.355 132 D HA 0.215 4.855 4.640 -0.000 0.000 0.218 132 D C 0.339 176.409 176.300 -0.384 0.000 1.004 132 D CA 0.493 54.390 54.000 -0.172 0.000 0.880 132 D CB 0.034 40.667 40.800 -0.279 0.000 0.911 132 D HN 0.297 nan 8.370 nan 0.000 0.528 133 A N 0.946 123.380 122.820 -0.644 0.000 3.399 133 A HA 0.358 4.678 4.320 -0.000 0.000 0.262 133 A C -2.129 174.658 177.584 -1.328 0.000 1.145 133 A CA -0.797 50.371 52.037 -1.448 0.000 0.916 133 A CB 0.897 19.337 19.000 -0.932 0.000 1.360 133 A HN -0.116 nan 8.150 nan 0.000 0.628 134 P HA -0.182 nan 4.420 nan 0.000 0.218 134 P C 1.256 178.327 177.300 -0.382 0.000 1.148 134 P CA 1.558 64.334 63.100 -0.540 0.000 0.822 134 P CB -0.343 31.023 31.700 -0.555 0.000 0.784 135 W N 0.847 122.068 121.300 -0.132 0.000 2.632 135 W HA 0.090 4.750 4.660 -0.000 0.000 0.248 135 W C 1.247 177.719 176.519 -0.079 0.000 1.259 135 W CA 0.362 57.653 57.345 -0.090 0.000 1.288 135 W CB -1.430 27.973 29.460 -0.095 0.000 1.136 135 W HN -0.090 nan 8.180 nan 0.000 0.640 136 K N 0.807 120.992 120.400 -0.358 0.000 2.374 136 K HA 0.311 4.631 4.320 -0.000 0.000 0.196 136 K C 1.010 177.514 176.600 -0.161 0.000 1.023 136 K CA 0.225 56.397 56.287 -0.191 0.000 1.103 136 K CB 0.016 32.369 32.500 -0.245 0.000 0.848 136 K HN 0.094 nan 8.250 nan 0.000 0.528 137 A N 2.655 125.376 122.820 -0.165 0.000 2.565 137 A HA 0.028 4.348 4.320 -0.000 0.000 0.237 137 A C -1.600 175.850 177.584 -0.223 0.000 1.053 137 A CA -0.864 51.071 52.037 -0.170 0.000 0.755 137 A CB 0.023 18.945 19.000 -0.130 0.000 0.980 137 A HN -0.001 nan 8.150 nan 0.000 0.506 138 P HA -0.162 nan 4.420 nan 0.000 0.216 138 P C 0.534 177.640 177.300 -0.323 0.000 1.154 138 P CA 1.326 64.282 63.100 -0.240 0.000 0.865 138 P CB 0.024 31.591 31.700 -0.221 0.000 0.789 139 L N -2.349 118.524 121.223 -0.584 0.000 2.984 139 L HA 0.358 4.698 4.340 -0.000 0.000 0.246 139 L C 1.839 178.325 176.870 -0.641 0.000 1.268 139 L CA -0.303 54.100 54.840 -0.728 0.000 1.054 139 L CB -0.526 40.820 42.059 -1.188 0.000 1.393 139 L HN -0.099 nan 8.230 nan 0.000 0.532 140 A N 0.681 123.303 122.820 -0.329 0.000 1.873 140 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 140 A C 2.195 179.786 177.584 0.011 0.000 1.193 140 A CA 1.837 53.815 52.037 -0.098 0.000 0.629 140 A CB -0.164 18.826 19.000 -0.018 0.000 0.826 140 A HN 0.537 nan 8.150 nan 0.000 0.447 141 E N -0.892 119.299 120.200 -0.016 0.000 2.028 141 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 141 E C 2.138 178.780 176.600 0.071 0.000 0.988 141 E CA 1.170 57.593 56.400 0.037 0.000 0.799 141 E CB -0.309 29.398 29.700 0.011 0.000 0.755 141 E HN 0.843 nan 8.360 nan 0.000 0.447 142 E N 0.374 120.587 120.200 0.021 0.000 2.070 142 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 142 E C 1.787 178.558 176.600 0.284 0.000 1.004 142 E CA 1.503 57.961 56.400 0.096 0.000 0.805 142 E CB -0.059 29.653 29.700 0.020 0.000 0.744 142 E HN 0.280 nan 8.360 nan 0.000 0.451 143 W N 0.952 122.294 121.300 0.071 0.000 2.436 143 W HA -0.028 4.632 4.660 -0.000 0.000 0.284 143 W C 2.012 178.605 176.519 0.122 0.000 1.225 143 W CA 0.784 58.184 57.345 0.092 0.000 1.271 143 W CB -1.066 28.448 29.460 0.090 0.000 1.114 143 W HN 0.240 nan 8.180 nan 0.000 0.559 144 D N -0.260 120.344 120.400 0.340 0.000 2.224 144 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 144 D C 1.362 177.794 176.300 0.219 0.000 0.965 144 D CA 0.969 55.133 54.000 0.272 0.000 0.852 144 D CB -0.231 40.704 40.800 0.224 0.000 0.947 144 D HN -0.088 nan 8.370 nan 0.000 0.494 145 N N -0.571 118.241 118.700 0.187 0.000 2.398 145 N HA 0.078 4.818 4.740 -0.000 0.000 0.188 145 N C -0.109 175.483 175.510 0.137 0.000 1.122 145 N CA 0.195 53.331 53.050 0.143 0.000 0.866 145 N CB 0.243 38.797 38.487 0.111 0.000 0.970 145 N HN 0.312 nan 8.380 nan 0.000 0.462 146 M N 0.133 119.831 119.600 0.163 0.000 2.456 146 M HA 0.189 4.669 4.480 -0.000 0.000 0.324 146 M C 0.194 176.579 176.300 0.141 0.000 1.124 146 M CA -0.600 54.782 55.300 0.136 0.000 0.959 146 M CB 2.012 34.698 32.600 0.143 0.000 1.692 146 M HN -0.026 nan 8.290 nan 0.000 0.444 147 T N -0.179 114.441 114.554 0.110 0.000 2.788 147 T HA 0.196 4.546 4.350 -0.000 0.000 0.287 147 T C 1.190 175.936 174.700 0.077 0.000 1.007 147 T CA -0.776 61.387 62.100 0.104 0.000 1.005 147 T CB 0.783 69.702 68.868 0.086 0.000 1.012 147 T HN 0.622 nan 8.240 nan 0.000 0.530 148 M N 0.297 119.929 119.600 0.053 0.000 2.213 148 M HA -0.016 4.464 4.480 -0.000 0.000 0.263 148 M C 2.163 178.446 176.300 -0.028 0.000 1.062 148 M CA 1.651 56.949 55.300 -0.004 0.000 1.105 148 M CB -1.430 31.096 32.600 -0.124 0.000 1.385 148 M HN 0.878 nan 8.290 nan 0.000 0.417 149 K N 0.890 121.278 120.400 -0.021 0.000 2.032 149 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 149 K C 1.659 178.248 176.600 -0.019 0.000 1.048 149 K CA 1.827 58.104 56.287 -0.017 0.000 0.927 149 K CB -0.141 32.382 32.500 0.037 0.000 0.712 149 K HN 0.411 nan 8.250 nan 0.000 0.441 150 E N 0.143 120.345 120.200 0.004 0.000 2.077 150 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 150 E C 2.001 178.596 176.600 -0.009 0.000 0.989 150 E CA 1.229 57.628 56.400 -0.001 0.000 0.800 150 E CB -0.255 29.459 29.700 0.024 0.000 0.746 150 E HN 0.211 nan 8.360 nan 0.000 0.452 151 L N 1.291 122.514 121.223 0.000 0.000 1.989 151 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 151 L C 2.113 178.980 176.870 -0.005 0.000 1.071 151 L CA 1.644 56.478 54.840 -0.009 0.000 0.749 151 L CB -0.457 41.589 42.059 -0.023 0.000 0.890 151 L HN 0.135 nan 8.230 nan 0.000 0.431 152 L N -0.826 120.386 121.223 -0.019 0.000 2.042 152 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 152 L C 2.276 179.079 176.870 -0.112 0.000 1.076 152 L CA 1.446 56.239 54.840 -0.078 0.000 0.749 152 L CB -1.052 40.912 42.059 -0.158 0.000 0.893 152 L HN 0.300 nan 8.230 nan 0.000 0.432 153 D N 0.379 120.720 120.400 -0.099 0.000 2.149 153 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 153 D C 2.210 178.424 176.300 -0.143 0.000 0.990 153 D CA 1.217 55.143 54.000 -0.123 0.000 0.839 153 D CB -0.027 40.713 40.800 -0.100 0.000 0.948 153 D HN 0.335 nan 8.370 nan 0.000 0.460 154 K N -0.248 120.099 120.400 -0.089 0.000 2.031 154 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 154 K C 1.924 178.507 176.600 -0.027 0.000 1.049 154 K CA 0.439 56.684 56.287 -0.070 0.000 0.939 154 K CB 0.031 32.525 32.500 -0.011 0.000 0.717 154 K HN 0.023 nan 8.250 nan 0.000 0.438 155 L N 0.809 122.043 121.223 0.019 0.000 2.095 155 L HA -0.039 4.301 4.340 -0.000 0.000 0.204 155 L C 0.634 177.604 176.870 0.165 0.000 1.080 155 L CA 0.984 55.892 54.840 0.113 0.000 0.759 155 L CB -0.144 41.991 42.059 0.127 0.000 0.914 155 L HN 0.125 nan 8.230 nan 0.000 0.439 156 C N -0.628 118.673 119.300 0.003 0.000 2.281 156 C HA 0.101 4.561 4.460 -0.000 0.000 0.336 156 C C 0.994 175.979 174.990 -0.009 0.000 1.217 156 C CA -1.053 57.939 59.018 -0.044 0.000 1.730 156 C CB -1.289 26.299 27.740 -0.254 0.000 2.338 156 C HN 0.518 nan 8.230 nan 0.000 0.521 157 W N 1.956 123.196 121.300 -0.101 0.000 3.047 157 W HA 0.104 4.764 4.660 -0.000 0.000 0.250 157 W C 1.468 177.950 176.519 -0.061 0.000 1.314 157 W CA 0.184 57.489 57.345 -0.066 0.000 1.540 157 W CB -0.211 29.223 29.460 -0.045 0.000 1.127 157 W HN 0.660 nan 8.180 nan 0.000 0.679 158 T N -3.629 110.980 114.554 0.091 0.000 2.887 158 T HA 0.301 4.651 4.350 -0.000 0.000 0.288 158 T C 0.839 175.517 174.700 -0.036 0.000 1.021 158 T CA -0.655 61.470 62.100 0.041 0.000 1.000 158 T CB 2.644 71.558 68.868 0.076 0.000 1.034 158 T HN -0.220 nan 8.240 nan 0.000 0.467 159 E N 1.145 121.332 120.200 -0.021 0.000 2.106 159 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 159 E C 2.197 178.776 176.600 -0.034 0.000 0.984 159 E CA 1.355 57.731 56.400 -0.040 0.000 0.806 159 E CB -0.452 29.237 29.700 -0.017 0.000 0.750 159 E HN 0.762 nan 8.360 nan 0.000 0.458 160 S N 0.694 116.410 115.700 0.026 0.000 2.365 160 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 160 S C 2.097 176.711 174.600 0.025 0.000 1.039 160 S CA 1.733 59.999 58.200 0.110 0.000 1.033 160 S CB -0.107 63.225 63.200 0.220 0.000 0.887 160 S HN 0.288 nan 8.310 nan 0.000 0.447 161 A N 1.067 123.752 122.820 -0.224 0.000 1.930 161 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 161 A C 2.205 179.407 177.584 -0.637 0.000 1.175 161 A CA 1.646 53.188 52.037 -0.824 0.000 0.627 161 A CB -0.660 17.841 19.000 -0.831 0.000 0.815 161 A HN 0.640 nan 8.150 nan 0.000 0.443 162 K N -0.448 119.707 120.400 -0.407 0.000 2.057 162 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 162 K C 2.229 178.684 176.600 -0.242 0.000 1.050 162 K CA 1.558 57.627 56.287 -0.362 0.000 0.935 162 K CB -0.171 32.188 32.500 -0.236 0.000 0.715 162 K HN 0.639 nan 8.250 nan 0.000 0.439 163 Q N 0.365 120.088 119.800 -0.128 0.000 2.050 163 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 163 Q C 2.103 178.114 176.000 0.018 0.000 0.980 163 Q CA 1.446 57.236 55.803 -0.023 0.000 0.840 163 Q CB -0.126 28.639 28.738 0.045 0.000 0.898 163 Q HN 0.195 nan 8.270 nan 0.000 0.424 164 L N 0.452 121.681 121.223 0.010 0.000 2.093 164 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 164 L C 2.127 179.070 176.870 0.121 0.000 1.085 164 L CA 1.858 56.777 54.840 0.132 0.000 0.755 164 L CB -0.825 41.360 42.059 0.210 0.000 0.904 164 L HN 0.147 nan 8.230 nan 0.000 0.435 165 A N -1.695 120.985 122.820 -0.234 0.000 1.933 165 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 165 A C 2.267 179.845 177.584 -0.010 0.000 1.175 165 A CA 2.302 54.132 52.037 -0.345 0.000 0.628 165 A CB -1.120 17.167 19.000 -1.188 0.000 0.814 165 A HN 0.485 nan 8.150 nan 0.000 0.444 166 T N -0.038 114.474 114.554 -0.069 0.000 2.777 166 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 166 T C 1.862 176.597 174.700 0.060 0.000 1.040 166 T CA 1.334 63.416 62.100 -0.029 0.000 1.141 166 T CB -0.349 68.495 68.868 -0.040 0.000 0.868 166 T HN 0.403 nan 8.240 nan 0.000 0.444 167 L N 0.175 121.480 121.223 0.136 0.000 2.046 167 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 167 L C 2.216 179.219 176.870 0.222 0.000 1.077 167 L CA 1.418 56.368 54.840 0.183 0.000 0.747 167 L CB -0.368 41.832 42.059 0.234 0.000 0.896 167 L HN 0.221 nan 8.230 nan 0.000 0.432 168 F N -0.232 119.825 119.950 0.178 0.000 2.095 168 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 168 F C 2.093 178.030 175.800 0.229 0.000 1.104 168 F CA 2.183 60.342 58.000 0.265 0.000 1.232 168 F CB -0.564 38.763 39.000 0.545 0.000 0.987 168 F HN -0.129 nan 8.300 nan 0.000 0.475 169 V N 1.077 121.021 119.914 0.050 0.000 2.295 169 V HA -0.363 3.757 4.120 -0.000 0.000 0.246 169 V C 2.022 178.017 176.094 -0.165 0.000 1.049 169 V CA 2.481 64.605 62.300 -0.293 0.000 1.024 169 V CB -1.143 30.349 31.823 -0.552 0.000 0.648 169 V HN 0.420 nan 8.190 nan 0.000 0.447 170 N N 0.131 118.776 118.700 -0.092 0.000 2.104 170 N HA -0.219 4.521 4.740 -0.000 0.000 0.190 170 N C 1.774 177.249 175.510 -0.060 0.000 1.024 170 N CA 1.376 54.384 53.050 -0.071 0.000 0.853 170 N CB -0.229 38.260 38.487 0.002 0.000 1.008 170 N HN 0.355 nan 8.380 nan 0.000 0.424 171 L N 0.880 122.088 121.223 -0.026 0.000 2.044 171 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 171 L C 2.039 178.918 176.870 0.014 0.000 1.075 171 L CA 1.533 56.363 54.840 -0.017 0.000 0.747 171 L CB -0.592 41.427 42.059 -0.067 0.000 0.903 171 L HN 0.217 nan 8.230 nan 0.000 0.435 172 C N -1.285 117.986 119.300 -0.050 0.000 2.440 172 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 172 C C 2.228 177.326 174.990 0.180 0.000 1.295 172 C CA 0.891 59.950 59.018 0.068 0.000 1.738 172 C CB -0.701 26.996 27.740 -0.071 0.000 1.987 172 C HN 0.582 nan 8.230 nan 0.000 0.492 173 V N -2.050 117.880 119.914 0.027 0.000 3.252 173 V HA 0.295 4.415 4.120 -0.000 0.000 0.320 173 V C 0.794 176.747 176.094 -0.235 0.000 1.459 173 V CA 0.750 63.017 62.300 -0.054 0.000 1.095 173 V CB -1.415 30.509 31.823 0.167 0.000 0.997 173 V HN 0.513 nan 8.190 nan 0.000 0.469 174 T N -1.272 113.064 114.554 -0.363 0.000 3.760 174 T HA -0.085 4.265 4.350 -0.000 0.000 0.366 174 T C 0.125 174.655 174.700 -0.284 0.000 0.761 174 T CA 1.306 63.172 62.100 -0.390 0.000 1.887 174 T CB -2.541 65.946 68.868 -0.634 0.000 1.811 174 T HN 2.428 nan 8.240 nan 0.000 0.749 175 A N -0.187 122.459 122.820 -0.290 0.000 2.587 175 A HA 0.719 5.039 4.320 -0.000 0.000 0.293 175 A C -0.454 176.921 177.584 -0.348 0.000 1.087 175 A CA -1.065 50.723 52.037 -0.415 0.000 0.692 175 A CB 1.242 19.778 19.000 -0.773 0.000 1.291 175 A HN 0.353 nan 8.150 nan 0.000 0.407 176 E N 0.730 120.676 120.200 -0.422 0.000 2.366 176 E HA 0.229 4.579 4.350 -0.000 0.000 0.266 176 E C 1.288 177.585 176.600 -0.504 0.000 1.051 176 E CA 0.534 56.653 56.400 -0.469 0.000 0.884 176 E CB 1.017 30.257 29.700 -0.766 0.000 1.006 176 E HN 0.820 nan 8.360 nan 0.000 0.417 177 T N -0.891 113.452 114.554 -0.352 0.000 2.803 177 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 177 T C 1.450 176.039 174.700 -0.185 0.000 1.052 177 T CA 1.792 63.742 62.100 -0.249 0.000 1.136 177 T CB -0.406 68.368 68.868 -0.157 0.000 0.864 177 T HN 0.640 nan 8.240 nan 0.000 0.467 178 H N 0.539 119.557 119.070 -0.086 0.000 2.547 178 H HA 0.248 4.804 4.556 -0.000 0.000 0.272 178 H C 1.508 176.813 175.328 -0.038 0.000 0.989 178 H CA 0.858 56.874 56.048 -0.054 0.000 1.214 178 H CB -0.211 29.518 29.762 -0.056 0.000 1.389 178 H HN 0.517 nan 8.280 nan 0.000 0.577 179 E N 1.386 121.395 120.200 -0.318 0.000 2.318 179 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 179 E C 0.764 177.340 176.600 -0.040 0.000 0.998 179 E CA 0.407 56.709 56.400 -0.163 0.000 0.859 179 E CB 0.800 30.265 29.700 -0.391 0.000 0.812 179 E HN 0.365 nan 8.360 nan 0.000 0.492 180 V N -1.160 118.724 119.914 -0.048 0.000 2.667 180 V HA 0.418 4.538 4.120 -0.000 0.000 0.308 180 V C 0.003 176.240 176.094 0.239 0.000 1.048 180 V CA -1.191 61.185 62.300 0.127 0.000 0.928 180 V CB 1.866 33.804 31.823 0.192 0.000 1.004 180 V HN -0.040 nan 8.190 nan 0.000 0.444 181 S N 3.268 119.181 115.700 0.355 0.000 2.549 181 S HA 0.416 4.886 4.470 -0.000 0.000 0.286 181 S C 1.463 176.320 174.600 0.429 0.000 1.314 181 S CA 0.210 58.637 58.200 0.377 0.000 1.062 181 S CB 0.881 64.341 63.200 0.433 0.000 0.865 181 S HN 1.763 nan 8.310 nan 0.000 0.498 182 A N 5.044 128.047 122.820 0.305 0.000 1.877 182 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 182 A C 2.041 179.809 177.584 0.308 0.000 1.186 182 A CA 1.663 53.853 52.037 0.254 0.000 0.620 182 A CB -0.976 18.095 19.000 0.118 0.000 0.822 182 A HN 0.961 nan 8.150 nan 0.000 0.443 183 L N -1.442 120.004 121.223 0.372 0.000 2.013 183 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 183 L C 2.238 179.353 176.870 0.408 0.000 1.073 183 L CA 2.625 57.715 54.840 0.416 0.000 0.753 183 L CB -0.761 41.544 42.059 0.410 0.000 0.890 183 L HN 0.675 nan 8.230 nan 0.000 0.432 184 W N -0.751 120.728 121.300 0.299 0.000 2.358 184 W HA -0.269 4.391 4.660 -0.000 0.000 0.303 184 W C 2.331 179.132 176.519 0.470 0.000 1.208 184 W CA 1.808 59.358 57.345 0.341 0.000 1.274 184 W CB -0.603 29.044 29.460 0.310 0.000 1.138 184 W HN 0.287 nan 8.180 nan 0.000 0.515 185 F N 0.723 120.759 119.950 0.143 0.000 2.146 185 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 185 F C 2.047 177.787 175.800 -0.101 0.000 1.096 185 F CA 2.051 59.955 58.000 -0.160 0.000 1.275 185 F CB -0.615 38.437 39.000 0.087 0.000 1.008 185 F HN -0.187 nan 8.300 nan 0.000 0.480 186 L N -1.264 119.976 121.223 0.029 0.000 2.093 186 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 186 L C 2.273 179.074 176.870 -0.115 0.000 1.085 186 L CA 1.486 56.282 54.840 -0.073 0.000 0.755 186 L CB -1.012 41.030 42.059 -0.028 0.000 0.904 186 L HN 0.448 nan 8.230 nan 0.000 0.435 187 W N 0.177 121.359 121.300 -0.198 0.000 2.355 187 W HA -0.292 4.368 4.660 -0.000 0.000 0.309 187 W C 2.614 178.930 176.519 -0.338 0.000 1.206 187 W CA 1.378 58.589 57.345 -0.223 0.000 1.284 187 W CB -0.652 28.705 29.460 -0.172 0.000 1.145 187 W HN 0.088 nan 8.180 nan 0.000 0.502 188 Y N 0.731 120.537 120.300 -0.823 0.000 2.128 188 Y HA -0.305 4.245 4.550 -0.000 0.000 0.284 188 Y C 2.370 177.698 175.900 -0.953 0.000 1.154 188 Y CA 3.053 60.457 58.100 -1.160 0.000 1.149 188 Y CB -0.800 36.960 38.460 -1.167 0.000 0.976 188 Y HN -0.128 nan 8.280 nan 0.000 0.505 189 V N 0.925 120.410 119.914 -0.716 0.000 2.270 189 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 189 V C 2.517 178.277 176.094 -0.557 0.000 1.043 189 V CA 2.180 64.137 62.300 -0.572 0.000 1.014 189 V CB -0.726 30.861 31.823 -0.393 0.000 0.645 189 V HN 0.316 nan 8.190 nan 0.000 0.447 190 K N 1.240 121.345 120.400 -0.491 0.000 2.044 190 K HA -0.287 4.033 4.320 -0.000 0.000 0.210 190 K C 2.138 178.416 176.600 -0.537 0.000 1.049 190 K CA 2.572 58.609 56.287 -0.418 0.000 0.927 190 K CB -0.329 31.995 32.500 -0.293 0.000 0.713 190 K HN 0.711 nan 8.250 nan 0.000 0.443 191 Q N -0.605 118.737 119.800 -0.763 0.000 2.515 191 Q HA -0.016 4.324 4.340 -0.000 0.000 0.212 191 Q C 1.390 176.881 176.000 -0.848 0.000 0.970 191 Q CA 1.081 56.433 55.803 -0.751 0.000 0.941 191 Q CB -0.553 27.586 28.738 -0.998 0.000 0.998 191 Q HN 0.193 nan 8.270 nan 0.000 0.518 192 C N 0.148 118.798 119.300 -1.083 0.000 2.780 192 C HA 0.627 5.087 4.460 -0.000 0.000 0.287 192 C C 1.505 175.780 174.990 -1.192 0.000 1.288 192 C CA 0.081 58.080 59.018 -1.699 0.000 1.713 192 C CB -0.875 25.849 27.740 -1.694 0.000 1.955 192 C HN 0.825 nan 8.230 nan 0.000 0.613 193 G N 0.292 108.701 108.800 -0.651 0.000 2.157 193 G HA2 0.271 4.231 3.960 -0.000 0.000 0.239 193 G HA3 0.271 4.231 3.960 -0.000 0.000 0.239 193 G C 0.474 175.203 174.900 -0.285 0.000 0.982 193 G CA 0.063 44.944 45.100 -0.364 0.000 0.650 193 G HN 1.659 nan 8.290 nan 0.000 0.527 194 G N -2.231 106.376 108.800 -0.321 0.000 2.592 194 G HA2 0.331 4.291 3.960 -0.000 0.000 0.684 194 G HA3 0.331 4.291 3.960 -0.000 0.000 0.684 194 G C 0.965 175.776 174.900 -0.147 0.000 1.291 194 G CA 0.916 45.892 45.100 -0.207 0.000 0.891 194 G HN 1.814 nan 8.290 nan 0.000 0.544 195 T N -2.856 111.659 114.554 -0.065 0.000 2.777 195 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 195 T C 2.364 176.990 174.700 -0.124 0.000 1.040 195 T CA 2.851 64.951 62.100 0.001 0.000 1.141 195 T CB -0.775 68.099 68.868 0.009 0.000 0.868 195 T HN 0.932 nan 8.240 nan 0.000 0.444 196 T N 1.481 115.934 114.554 -0.168 0.000 2.674 196 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 196 T C 2.128 176.724 174.700 -0.174 0.000 1.039 196 T CA 1.532 63.486 62.100 -0.243 0.000 1.150 196 T CB -0.333 68.439 68.868 -0.161 0.000 0.864 196 T HN 0.270 nan 8.240 nan 0.000 0.427 197 R N 0.918 121.348 120.500 -0.117 0.000 2.091 197 R HA 0.104 4.444 4.340 -0.000 0.000 0.238 197 R C 2.221 178.518 176.300 -0.004 0.000 1.136 197 R CA 1.201 57.269 56.100 -0.054 0.000 0.959 197 R CB -0.903 29.357 30.300 -0.068 0.000 0.856 197 R HN 0.469 nan 8.270 nan 0.000 0.437 198 I N 0.187 120.710 120.570 -0.080 0.000 2.394 198 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 198 I C 1.518 177.660 176.117 0.042 0.000 1.136 198 I CA 1.302 62.588 61.300 -0.024 0.000 1.425 198 I CB 0.090 38.027 38.000 -0.105 0.000 1.079 198 I HN 0.315 nan 8.210 nan 0.000 0.425 199 I N -3.026 117.539 120.570 -0.009 0.000 3.645 199 I HA 0.171 4.341 4.170 -0.000 0.000 0.300 199 I C 0.922 176.971 176.117 -0.113 0.000 1.260 199 I CA -0.088 61.177 61.300 -0.057 0.000 1.365 199 I CB -0.086 37.846 38.000 -0.114 0.000 1.077 199 I HN -0.138 nan 8.210 nan 0.000 0.439 200 S N 1.438 117.063 115.700 -0.124 0.000 2.580 200 S HA 0.245 4.715 4.470 -0.000 0.000 0.274 200 S C 1.009 175.567 174.600 -0.069 0.000 1.329 200 S CA -0.114 58.018 58.200 -0.114 0.000 1.036 200 S CB 1.460 64.589 63.200 -0.118 0.000 0.919 200 S HN 0.336 nan 8.310 nan 0.000 0.515 201 T N 2.276 116.795 114.554 -0.060 0.000 2.896 201 T HA 0.021 4.371 4.350 -0.000 0.000 0.238 201 T C 0.604 175.265 174.700 -0.064 0.000 1.045 201 T CA 0.615 62.673 62.100 -0.070 0.000 1.248 201 T CB -0.373 68.458 68.868 -0.063 0.000 0.955 201 T HN 0.607 nan 8.240 nan 0.000 0.416 202 T N 3.615 118.140 114.554 -0.049 0.000 2.831 202 T HA 0.104 4.454 4.350 -0.000 0.000 0.291 202 T C 0.724 175.398 174.700 -0.044 0.000 0.981 202 T CA 0.493 62.569 62.100 -0.040 0.000 1.174 202 T CB -0.226 68.627 68.868 -0.025 0.000 0.929 202 T HN 0.544 nan 8.240 nan 0.000 0.532 203 N N 0.811 119.486 118.700 -0.043 0.000 2.800 203 N HA -0.145 4.595 4.740 -0.000 0.000 0.250 203 N C 0.167 175.655 175.510 -0.036 0.000 1.078 203 N CA 1.462 54.489 53.050 -0.037 0.000 0.804 203 N CB -1.078 37.392 38.487 -0.029 0.000 1.135 203 N HN 0.927 nan 8.380 nan 0.000 0.565 204 G N -3.021 105.751 108.800 -0.047 0.000 3.086 204 G HA2 0.568 4.528 3.960 -0.000 0.000 0.282 204 G HA3 0.568 4.528 3.960 -0.000 0.000 0.282 204 G C 1.020 175.883 174.900 -0.061 0.000 1.343 204 G CA -0.040 45.046 45.100 -0.024 0.000 0.895 204 G HN 0.325 nan 8.290 nan 0.000 0.557 205 G N -0.871 107.924 108.800 -0.009 0.000 2.485 205 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.221 205 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.221 205 G C 1.197 176.015 174.900 -0.136 0.000 1.115 205 G CA 1.066 46.068 45.100 -0.165 0.000 0.751 205 G HN 0.422 nan 8.290 nan 0.000 0.567 206 Q N -0.496 119.236 119.800 -0.113 0.000 2.189 206 Q HA 0.281 4.621 4.340 -0.000 0.000 0.221 206 Q C 1.646 177.569 176.000 -0.128 0.000 0.848 206 Q CA -0.117 55.572 55.803 -0.190 0.000 1.007 206 Q CB 0.709 29.224 28.738 -0.371 0.000 1.116 206 Q HN 0.629 nan 8.270 nan 0.000 0.481 207 E N 0.595 120.729 120.200 -0.110 0.000 2.110 207 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 207 E C -0.087 176.448 176.600 -0.108 0.000 0.988 207 E CA 0.835 57.175 56.400 -0.100 0.000 0.804 207 E CB 0.412 30.049 29.700 -0.105 0.000 0.745 207 E HN 0.149 nan 8.360 nan 0.000 0.458 208 R N -0.774 119.640 120.500 -0.143 0.000 2.740 208 R HA 0.398 4.738 4.340 -0.000 0.000 0.273 208 R C -1.065 175.017 176.300 -0.364 0.000 0.998 208 R CA -0.743 55.189 56.100 -0.281 0.000 0.900 208 R CB 2.051 32.160 30.300 -0.318 0.000 1.223 208 R HN -0.142 nan 8.270 nan 0.000 0.466 209 K N 1.168 121.184 120.400 -0.639 0.000 2.352 209 K HA 0.439 4.759 4.320 -0.000 0.000 0.240 209 K C -0.880 175.371 176.600 -0.581 0.000 1.017 209 K CA -0.795 55.113 56.287 -0.632 0.000 0.851 209 K CB 1.492 33.693 32.500 -0.497 0.000 1.261 209 K HN 0.225 nan 8.250 nan 0.000 0.451 210 F N 1.021 120.891 119.950 -0.134 0.000 2.427 210 F HA 0.110 4.637 4.527 -0.000 0.000 0.352 210 F C 0.608 176.454 175.800 0.077 0.000 1.100 210 F CA -0.994 56.981 58.000 -0.041 0.000 1.191 210 F CB 0.985 39.942 39.000 -0.071 0.000 1.128 210 F HN 0.035 nan 8.300 nan 0.000 0.533 211 V N 3.788 123.906 119.914 0.339 0.000 2.509 211 V HA 0.191 4.311 4.120 -0.000 0.000 0.297 211 V C 0.974 176.969 176.094 -0.165 0.000 1.014 211 V CA 1.310 63.731 62.300 0.202 0.000 1.127 211 V CB 0.045 31.967 31.823 0.165 0.000 0.925 211 V HN 1.118 nan 8.190 nan 0.000 0.480 212 G N 3.276 111.578 108.800 -0.830 0.000 2.217 212 G HA2 0.135 4.095 3.960 -0.000 0.000 0.246 212 G HA3 0.135 4.095 3.960 -0.000 0.000 0.246 212 G C 0.788 175.140 174.900 -0.913 0.000 0.990 212 G CA -0.077 44.249 45.100 -1.291 0.000 0.627 212 G HN 2.454 nan 8.290 nan 0.000 0.522 213 G N -1.430 107.141 108.800 -0.382 0.000 2.674 213 G HA2 0.383 4.343 3.960 -0.000 0.000 0.686 213 G HA3 0.383 4.343 3.960 -0.000 0.000 0.686 213 G C 0.804 175.713 174.900 0.015 0.000 1.195 213 G CA 0.842 45.913 45.100 -0.047 0.000 0.776 213 G HN 1.861 nan 8.290 nan 0.000 0.654 214 S N 0.185 115.954 115.700 0.116 0.000 2.447 214 S HA 0.092 4.562 4.470 -0.000 0.000 0.233 214 S C 2.546 177.137 174.600 -0.014 0.000 1.006 214 S CA 1.728 59.994 58.200 0.111 0.000 0.957 214 S CB -0.097 63.224 63.200 0.202 0.000 0.773 214 S HN 2.167 nan 8.310 nan 0.000 0.507 215 G N 1.455 110.258 108.800 0.006 0.000 2.462 215 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 215 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 215 G C 1.446 176.321 174.900 -0.042 0.000 1.121 215 G CA 0.660 45.768 45.100 0.013 0.000 0.758 215 G HN 0.649 nan 8.290 nan 0.000 0.559 216 Q N -0.178 119.561 119.800 -0.103 0.000 2.291 216 Q HA -0.040 4.300 4.340 -0.000 0.000 0.206 216 Q C 2.705 178.611 176.000 -0.157 0.000 0.976 216 Q CA 0.864 56.587 55.803 -0.134 0.000 0.875 216 Q CB -0.159 28.473 28.738 -0.177 0.000 0.927 216 Q HN 0.431 nan 8.270 nan 0.000 0.450 217 V N 0.271 120.066 119.914 -0.197 0.000 2.255 217 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 217 V C 2.094 178.125 176.094 -0.105 0.000 1.051 217 V CA 2.162 64.346 62.300 -0.193 0.000 1.018 217 V CB -0.505 31.190 31.823 -0.214 0.000 0.641 217 V HN 0.296 nan 8.190 nan 0.000 0.445 218 S N -0.866 114.797 115.700 -0.062 0.000 2.414 218 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 218 S C 1.891 176.471 174.600 -0.034 0.000 1.022 218 S CA 1.113 59.294 58.200 -0.032 0.000 0.958 218 S CB -0.180 63.023 63.200 0.005 0.000 0.797 218 S HN 0.679 nan 8.310 nan 0.000 0.493 219 E N 1.255 121.434 120.200 -0.034 0.000 2.051 219 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 219 E C 2.317 178.887 176.600 -0.049 0.000 0.991 219 E CA 0.868 57.249 56.400 -0.032 0.000 0.799 219 E CB -0.076 29.606 29.700 -0.029 0.000 0.748 219 E HN 0.350 nan 8.360 nan 0.000 0.449 220 R N 0.263 120.722 120.500 -0.068 0.000 2.115 220 R HA -0.042 4.298 4.340 -0.000 0.000 0.230 220 R C 2.332 178.591 176.300 -0.069 0.000 1.111 220 R CA 0.886 56.943 56.100 -0.071 0.000 0.976 220 R CB -0.196 30.052 30.300 -0.088 0.000 0.870 220 R HN 0.226 nan 8.270 nan 0.000 0.445 221 I N 0.558 121.086 120.570 -0.071 0.000 2.353 221 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 221 I C 2.640 178.708 176.117 -0.083 0.000 1.119 221 I CA 0.995 62.250 61.300 -0.074 0.000 1.417 221 I CB -0.157 37.804 38.000 -0.065 0.000 1.078 221 I HN 0.184 nan 8.210 nan 0.000 0.421 222 M N 0.893 120.453 119.600 -0.066 0.000 2.108 222 M HA -0.251 4.229 4.480 -0.000 0.000 0.261 222 M C 1.681 177.941 176.300 -0.066 0.000 1.066 222 M CA 1.962 57.224 55.300 -0.063 0.000 1.107 222 M CB -0.193 32.382 32.600 -0.042 0.000 1.356 222 M HN 0.146 nan 8.290 nan 0.000 0.406 223 D N 0.696 121.062 120.400 -0.058 0.000 2.104 223 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 223 D C 2.029 178.290 176.300 -0.065 0.000 0.994 223 D CA 1.521 55.490 54.000 -0.052 0.000 0.830 223 D CB -0.563 40.210 40.800 -0.044 0.000 0.959 223 D HN 0.431 nan 8.370 nan 0.000 0.452 224 L N 0.070 121.244 121.223 -0.082 0.000 2.131 224 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 224 L C 2.363 179.118 176.870 -0.190 0.000 1.092 224 L CA 0.662 55.439 54.840 -0.106 0.000 0.759 224 L CB -0.242 41.755 42.059 -0.104 0.000 0.903 224 L HN 0.025 nan 8.230 nan 0.000 0.435 225 L N -1.193 119.908 121.223 -0.203 0.000 2.509 225 L HA 0.167 4.507 4.340 -0.000 0.000 0.222 225 L C 1.695 178.481 176.870 -0.139 0.000 1.123 225 L CA 0.341 55.022 54.840 -0.264 0.000 0.856 225 L CB -0.550 41.379 42.059 -0.217 0.000 0.985 225 L HN 0.424 nan 8.230 nan 0.000 0.456 226 G N 1.970 110.717 108.800 -0.088 0.000 2.622 226 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.307 226 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.307 226 G C 0.638 175.518 174.900 -0.033 0.000 1.226 226 G CA 0.562 45.635 45.100 -0.046 0.000 0.997 226 G HN 0.508 nan 8.290 nan 0.000 0.551 227 D N 1.056 121.448 120.400 -0.014 0.000 2.363 227 D HA 0.025 4.665 4.640 -0.000 0.000 0.226 227 D C 2.103 178.406 176.300 0.004 0.000 1.020 227 D CA 0.763 54.763 54.000 0.000 0.000 0.892 227 D CB -0.331 40.477 40.800 0.013 0.000 0.900 227 D HN 0.634 nan 8.370 nan 0.000 0.531 228 R N -0.036 120.458 120.500 -0.011 0.000 2.235 228 R HA 0.091 4.431 4.340 -0.000 0.000 0.213 228 R C 0.368 176.648 176.300 -0.034 0.000 1.059 228 R CA 0.241 56.335 56.100 -0.010 0.000 0.997 228 R CB 0.266 30.554 30.300 -0.019 0.000 0.884 228 R HN 0.071 nan 8.270 nan 0.000 0.462 229 V N 2.956 122.844 119.914 -0.043 0.000 2.406 229 V HA 0.118 4.238 4.120 -0.000 0.000 0.272 229 V C -0.093 175.973 176.094 -0.046 0.000 1.043 229 V CA -0.423 61.844 62.300 -0.055 0.000 0.915 229 V CB 1.345 33.136 31.823 -0.053 0.000 0.988 229 V HN 0.050 nan 8.190 nan 0.000 0.466 230 K N 6.533 126.891 120.400 -0.070 0.000 2.367 230 K HA 0.547 4.867 4.320 -0.000 0.000 0.263 230 K C -0.758 175.804 176.600 -0.064 0.000 1.000 230 K CA -0.343 55.912 56.287 -0.053 0.000 0.891 230 K CB 1.914 34.377 32.500 -0.061 0.000 1.117 230 K HN 0.491 nan 8.250 nan 0.000 0.443 231 L N 1.615 122.813 121.223 -0.042 0.000 2.399 231 L HA 0.180 4.520 4.340 -0.000 0.000 0.266 231 L C 0.690 177.530 176.870 -0.050 0.000 1.114 231 L CA -0.199 54.611 54.840 -0.050 0.000 0.804 231 L CB 0.278 42.317 42.059 -0.032 0.000 1.146 231 L HN 0.707 nan 8.230 nan 0.000 0.451 232 E N 0.586 120.740 120.200 -0.075 0.000 2.476 232 E HA -0.230 4.120 4.350 -0.000 0.000 0.251 232 E C -0.484 176.073 176.600 -0.073 0.000 1.130 232 E CA 0.288 56.642 56.400 -0.076 0.000 0.736 232 E CB -0.756 28.921 29.700 -0.038 0.000 1.298 232 E HN 0.358 nan 8.360 nan 0.000 0.400 233 R N 0.164 120.604 120.500 -0.101 0.000 3.057 233 R HA 0.242 4.582 4.340 -0.000 0.000 0.291 233 R C -2.695 173.525 176.300 -0.133 0.000 1.394 233 R CA -2.052 53.995 56.100 -0.087 0.000 1.630 233 R CB 0.516 30.768 30.300 -0.081 0.000 1.268 233 R HN -0.002 nan 8.270 nan 0.000 0.621 234 P HA 0.016 nan 4.420 nan 0.000 0.271 234 P C -0.260 177.000 177.300 -0.066 0.000 1.226 234 P CA -0.171 62.825 63.100 -0.174 0.000 0.765 234 P CB 0.911 32.513 31.700 -0.163 0.000 0.835 235 V N 5.616 125.500 119.914 -0.050 0.000 2.572 235 V HA 0.025 4.145 4.120 -0.000 0.000 0.291 235 V C 1.773 177.881 176.094 0.022 0.000 1.039 235 V CA 0.487 62.777 62.300 -0.017 0.000 1.055 235 V CB 0.175 31.976 31.823 -0.038 0.000 0.969 235 V HN 0.546 nan 8.190 nan 0.000 0.482 236 I N 1.841 122.436 120.570 0.043 0.000 4.323 236 I HA 0.430 4.600 4.170 -0.000 0.000 0.328 236 I C 0.016 176.226 176.117 0.155 0.000 1.310 236 I CA 0.139 61.496 61.300 0.096 0.000 1.186 236 I CB 0.615 38.648 38.000 0.056 0.000 1.130 236 I HN 0.509 nan 8.210 nan 0.000 0.411 237 Y N 1.970 122.216 120.300 -0.090 0.000 2.390 237 Y HA 0.664 5.214 4.550 -0.000 0.000 0.324 237 Y C -1.859 173.952 175.900 -0.148 0.000 1.151 237 Y CA -1.554 56.475 58.100 -0.118 0.000 1.053 237 Y CB 1.588 40.009 38.460 -0.065 0.000 1.277 237 Y HN -0.010 nan 8.280 nan 0.000 0.432 238 I N 5.997 126.130 120.570 -0.727 0.000 2.447 238 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 238 I C -1.227 174.482 176.117 -0.680 0.000 1.023 238 I CA -0.665 60.282 61.300 -0.588 0.000 1.083 238 I CB 1.720 39.509 38.000 -0.353 0.000 1.245 238 I HN 0.527 nan 8.210 nan 0.000 0.434 239 D N 6.285 126.341 120.400 -0.573 0.000 2.381 239 D HA 0.252 4.892 4.640 -0.000 0.000 0.235 239 D C -0.145 176.080 176.300 -0.125 0.000 1.068 239 D CA -0.174 53.610 54.000 -0.360 0.000 0.832 239 D CB 1.634 42.265 40.800 -0.282 0.000 1.101 239 D HN 0.537 nan 8.370 nan 0.000 0.515 240 Q N 1.623 121.394 119.800 -0.049 0.000 2.179 240 Q HA 0.050 4.390 4.340 -0.000 0.000 0.213 240 Q C 1.470 177.470 176.000 0.001 0.000 0.833 240 Q CA 0.009 55.804 55.803 -0.013 0.000 0.990 240 Q CB 0.828 29.576 28.738 0.016 0.000 1.132 240 Q HN 0.572 nan 8.270 nan 0.000 0.493 241 T N -2.145 112.414 114.554 0.009 0.000 2.904 241 T HA -0.002 4.348 4.350 -0.000 0.000 0.267 241 T C 1.151 175.859 174.700 0.012 0.000 1.059 241 T CA 0.543 62.655 62.100 0.021 0.000 1.137 241 T CB 0.247 69.138 68.868 0.038 0.000 0.879 241 T HN 0.072 nan 8.240 nan 0.000 0.467 242 R N 0.152 120.655 120.500 0.005 0.000 2.740 242 R HA 0.473 4.813 4.340 -0.000 0.000 0.223 242 R C 1.830 178.121 176.300 -0.014 0.000 1.362 242 R CA -0.632 55.468 56.100 0.001 0.000 1.069 242 R CB 0.428 30.731 30.300 0.006 0.000 1.739 242 R HN 0.110 nan 8.270 nan 0.000 0.533 243 E N 0.461 120.651 120.200 -0.017 0.000 2.072 243 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 243 E C -0.335 176.233 176.600 -0.053 0.000 0.982 243 E CA 0.902 57.283 56.400 -0.031 0.000 0.803 243 E CB 0.204 29.889 29.700 -0.024 0.000 0.755 243 E HN 0.266 nan 8.360 nan 0.000 0.453 244 N N 0.005 118.679 118.700 -0.044 0.000 2.443 244 N HA 0.169 4.909 4.740 -0.000 0.000 0.295 244 N C -1.060 174.422 175.510 -0.046 0.000 1.076 244 N CA -0.372 52.644 53.050 -0.056 0.000 0.919 244 N CB 2.008 40.474 38.487 -0.036 0.000 1.176 244 N HN -0.195 nan 8.380 nan 0.000 0.487 245 V N 2.482 122.362 119.914 -0.057 0.000 2.572 245 V HA 0.168 4.288 4.120 -0.000 0.000 0.291 245 V C 0.336 176.418 176.094 -0.020 0.000 1.039 245 V CA -0.297 61.978 62.300 -0.041 0.000 1.055 245 V CB -0.021 31.780 31.823 -0.037 0.000 0.969 245 V HN 0.371 nan 8.190 nan 0.000 0.482 246 L N 5.764 126.967 121.223 -0.033 0.000 2.272 246 L HA 0.575 4.915 4.340 -0.000 0.000 0.289 246 L C -0.581 176.268 176.870 -0.035 0.000 1.032 246 L CA -0.569 54.267 54.840 -0.007 0.000 0.810 246 L CB 1.657 43.727 42.059 0.019 0.000 1.205 246 L HN 0.361 nan 8.230 nan 0.000 0.422 247 V N 2.877 122.818 119.914 0.045 0.000 2.407 247 V HA 0.312 4.432 4.120 -0.000 0.000 0.291 247 V C -0.132 176.051 176.094 0.148 0.000 1.018 247 V CA -0.600 61.728 62.300 0.046 0.000 0.842 247 V CB 1.734 33.585 31.823 0.045 0.000 0.996 247 V HN 0.745 nan 8.190 nan 0.000 0.426 248 E N 3.110 123.398 120.200 0.146 0.000 2.204 248 E HA 0.648 4.998 4.350 -0.000 0.000 0.276 248 E C -0.140 176.534 176.600 0.122 0.000 0.974 248 E CA -0.445 56.063 56.400 0.180 0.000 0.815 248 E CB 1.732 31.574 29.700 0.238 0.000 1.119 248 E HN 0.823 nan 8.360 nan 0.000 0.393 249 T N 1.030 115.648 114.554 0.108 0.000 2.952 249 T HA 0.206 4.556 4.350 -0.000 0.000 0.286 249 T C 0.889 175.558 174.700 -0.052 0.000 1.024 249 T CA -0.843 61.280 62.100 0.039 0.000 1.029 249 T CB 1.153 70.062 68.868 0.068 0.000 1.094 249 T HN 0.448 nan 8.240 nan 0.000 0.515 250 L N 1.758 122.926 121.223 -0.091 0.000 2.046 250 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 250 L C 1.991 178.623 176.870 -0.397 0.000 1.077 250 L CA 2.196 56.923 54.840 -0.188 0.000 0.747 250 L CB -1.136 40.868 42.059 -0.091 0.000 0.896 250 L HN 0.947 nan 8.230 nan 0.000 0.432 251 N N -2.249 116.321 118.700 -0.216 0.000 2.485 251 N HA -0.112 4.628 4.740 -0.000 0.000 0.199 251 N C -0.321 175.174 175.510 -0.026 0.000 1.236 251 N CA 0.483 53.455 53.050 -0.130 0.000 0.852 251 N CB -0.547 37.943 38.487 0.005 0.000 1.018 251 N HN 0.536 nan 8.380 nan 0.000 0.457 252 H N -2.487 116.599 119.070 0.027 0.000 2.973 252 H HA -0.126 4.430 4.556 -0.000 0.000 0.285 252 H C -1.015 174.320 175.328 0.012 0.000 1.277 252 H CA 0.748 56.803 56.048 0.013 0.000 1.137 252 H CB -2.031 27.729 29.762 -0.003 0.000 1.326 252 H HN 0.580 nan 8.280 nan 0.000 0.398 253 E N 0.427 120.684 120.200 0.097 0.000 2.221 253 E HA 0.604 4.954 4.350 -0.000 0.000 0.268 253 E C -0.082 176.538 176.600 0.033 0.000 0.933 253 E CA -1.104 55.321 56.400 0.041 0.000 0.809 253 E CB 1.499 31.248 29.700 0.082 0.000 1.190 253 E HN 0.016 nan 8.360 nan 0.000 0.406 254 M N 2.135 121.646 119.600 -0.148 0.000 2.321 254 M HA 0.396 4.876 4.480 -0.000 0.000 0.315 254 M C -1.603 174.490 176.300 -0.345 0.000 1.052 254 M CA -0.641 54.603 55.300 -0.093 0.000 0.936 254 M CB 1.179 33.752 32.600 -0.044 0.000 1.639 254 M HN 0.540 nan 8.290 nan 0.000 0.433 255 Y N 0.483 120.790 120.300 0.012 0.000 2.462 255 Y HA 0.519 5.069 4.550 -0.000 0.000 0.346 255 Y C -0.080 175.819 175.900 -0.002 0.000 0.976 255 Y CA -0.721 57.381 58.100 0.004 0.000 1.044 255 Y CB 1.830 40.290 38.460 -0.000 0.000 1.230 255 Y HN 0.557 nan 8.280 nan 0.000 0.455 256 E N 1.621 121.894 120.200 0.121 0.000 2.234 256 E HA 0.856 5.206 4.350 -0.000 0.000 0.266 256 E C -1.591 175.043 176.600 0.056 0.000 0.877 256 E CA -0.734 55.700 56.400 0.057 0.000 0.758 256 E CB 1.533 31.244 29.700 0.018 0.000 1.170 256 E HN 0.775 nan 8.360 nan 0.000 0.415 257 A N 3.393 126.228 122.820 0.024 0.000 2.609 257 A HA 0.350 4.670 4.320 -0.000 0.000 0.291 257 A C -0.183 177.364 177.584 -0.062 0.000 1.096 257 A CA -0.651 51.393 52.037 0.011 0.000 0.684 257 A CB 1.475 20.502 19.000 0.044 0.000 1.282 257 A HN 0.664 nan 8.150 nan 0.000 0.412 258 K N -0.743 119.594 120.400 -0.104 0.000 2.116 258 K HA 0.100 4.420 4.320 -0.000 0.000 0.203 258 K C -0.657 175.569 176.600 -0.624 0.000 1.052 258 K CA 1.475 57.549 56.287 -0.355 0.000 0.952 258 K CB -0.056 32.252 32.500 -0.321 0.000 0.729 258 K HN 0.601 nan 8.250 nan 0.000 0.446 259 Y N -1.065 119.256 120.300 0.035 0.000 2.588 259 Y HA 0.394 4.944 4.550 -0.000 0.000 0.343 259 Y C -0.638 175.285 175.900 0.039 0.000 1.065 259 Y CA -1.316 56.820 58.100 0.060 0.000 1.038 259 Y CB 1.898 40.389 38.460 0.050 0.000 1.297 259 Y HN -0.418 nan 8.280 nan 0.000 0.467 260 V N 3.348 123.400 119.914 0.230 0.000 2.656 260 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 260 V C -0.632 175.505 176.094 0.071 0.000 1.051 260 V CA -0.840 61.519 62.300 0.098 0.000 0.893 260 V CB 2.055 33.900 31.823 0.036 0.000 0.999 260 V HN 0.554 nan 8.190 nan 0.000 0.426 261 I N 3.003 123.583 120.570 0.018 0.000 2.362 261 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 261 I C 0.295 176.387 176.117 -0.043 0.000 0.994 261 I CA -0.153 61.136 61.300 -0.019 0.000 1.158 261 I CB 1.877 39.877 38.000 -0.001 0.000 1.315 261 I HN 0.604 nan 8.210 nan 0.000 0.451 262 S N 5.451 121.082 115.700 -0.114 0.000 2.416 262 S HA 0.518 4.988 4.470 -0.000 0.000 0.287 262 S C 0.445 175.106 174.600 0.102 0.000 1.139 262 S CA -0.429 57.771 58.200 0.000 0.000 1.058 262 S CB 0.521 63.734 63.200 0.022 0.000 0.967 262 S HN 0.718 nan 8.310 nan 0.000 0.495 263 A N 5.908 128.785 122.820 0.095 0.000 2.793 263 A HA 0.457 4.777 4.320 -0.000 0.000 0.301 263 A C 0.302 177.958 177.584 0.121 0.000 1.172 263 A CA -0.689 51.413 52.037 0.108 0.000 0.973 263 A CB -0.473 18.567 19.000 0.067 0.000 1.164 263 A HN 0.913 nan 8.150 nan 0.000 0.542 264 I N -3.817 116.843 120.570 0.150 0.000 2.797 264 I HA 0.682 4.852 4.170 -0.000 0.000 0.307 264 I C -2.899 173.315 176.117 0.160 0.000 1.033 264 I CA -3.099 58.290 61.300 0.148 0.000 1.071 264 I CB 1.526 39.615 38.000 0.148 0.000 1.255 264 I HN -0.156 nan 8.210 nan 0.000 0.445 265 P HA 0.138 nan 4.420 nan 0.000 0.264 265 P C -2.173 175.185 177.300 0.096 0.000 1.183 265 P CA -0.677 62.494 63.100 0.118 0.000 0.763 265 P CB -0.041 31.715 31.700 0.093 0.000 0.807 266 P HA -0.246 nan 4.420 nan 0.000 0.217 266 P C 1.624 178.911 177.300 -0.022 0.000 1.158 266 P CA 1.920 65.034 63.100 0.022 0.000 0.887 266 P CB -0.263 31.420 31.700 -0.028 0.000 0.792 267 T N -1.393 113.123 114.554 -0.064 0.000 2.915 267 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 267 T C 1.504 176.193 174.700 -0.018 0.000 1.071 267 T CA 0.710 62.759 62.100 -0.084 0.000 1.132 267 T CB -0.760 68.023 68.868 -0.142 0.000 0.878 267 T HN -0.031 nan 8.240 nan 0.000 0.479 268 L N 0.406 121.648 121.223 0.031 0.000 2.465 268 L HA 0.121 4.461 4.340 -0.000 0.000 0.224 268 L C 2.831 179.772 176.870 0.119 0.000 1.145 268 L CA 0.739 55.623 54.840 0.074 0.000 0.834 268 L CB -0.894 41.232 42.059 0.112 0.000 0.944 268 L HN 0.345 nan 8.230 nan 0.000 0.451 269 G N 0.186 109.070 108.800 0.139 0.000 2.485 269 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.221 269 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.221 269 G C 1.607 176.643 174.900 0.228 0.000 1.115 269 G CA 0.395 45.635 45.100 0.232 0.000 0.751 269 G HN 0.158 nan 8.290 nan 0.000 0.567 270 M N 0.403 120.063 119.600 0.100 0.000 2.279 270 M HA -0.015 4.465 4.480 -0.000 0.000 0.264 270 M C 2.190 178.503 176.300 0.022 0.000 1.062 270 M CA 1.034 56.362 55.300 0.046 0.000 1.099 270 M CB -0.580 32.010 32.600 -0.017 0.000 1.394 270 M HN 0.235 nan 8.290 nan 0.000 0.426 271 K N 0.064 120.498 120.400 0.056 0.000 2.504 271 K HA 0.111 4.431 4.320 -0.000 0.000 0.195 271 K C 0.467 177.109 176.600 0.071 0.000 1.036 271 K CA 0.483 56.809 56.287 0.064 0.000 0.984 271 K CB 0.065 32.636 32.500 0.118 0.000 0.788 271 K HN 0.338 nan 8.250 nan 0.000 0.488 272 I N 1.260 121.840 120.570 0.017 0.000 2.377 272 I HA 0.116 4.285 4.170 -0.000 0.000 0.293 272 I C 0.167 176.145 176.117 -0.231 0.000 0.987 272 I CA -0.700 60.523 61.300 -0.129 0.000 1.185 272 I CB 1.265 39.035 38.000 -0.384 0.000 1.341 272 I HN 0.030 nan 8.210 nan 0.000 0.455 273 H N 6.099 125.074 119.070 -0.159 0.000 2.562 273 H HA 0.347 4.903 4.556 -0.000 0.000 0.314 273 H C -1.098 174.146 175.328 -0.140 0.000 1.079 273 H CA -0.289 55.766 56.048 0.012 0.000 1.349 273 H CB 1.154 31.009 29.762 0.155 0.000 1.432 273 H HN 0.321 nan 8.280 nan 0.000 0.479 274 F N 1.954 122.006 119.950 0.171 0.000 2.443 274 F HA 0.172 4.699 4.527 -0.000 0.000 0.335 274 F C 0.625 176.475 175.800 0.082 0.000 1.104 274 F CA -0.716 57.317 58.000 0.055 0.000 1.013 274 F CB 1.311 40.329 39.000 0.030 0.000 1.136 274 F HN 0.471 nan 8.300 nan 0.000 0.470 275 N N 4.259 123.053 118.700 0.156 0.000 2.461 275 N HA 0.420 5.160 4.740 -0.000 0.000 0.284 275 N C -3.071 172.490 175.510 0.086 0.000 1.049 275 N CA -2.357 50.780 53.050 0.145 0.000 0.889 275 N CB 2.160 40.763 38.487 0.194 0.000 1.365 275 N HN 0.068 nan 8.380 nan 0.000 0.499 276 P HA 0.333 nan 4.420 nan 0.000 0.274 276 P C -2.634 174.742 177.300 0.127 0.000 1.256 276 P CA -1.021 62.139 63.100 0.099 0.000 0.795 276 P CB -0.344 31.393 31.700 0.062 0.000 1.038 277 P HA 0.045 nan 4.420 nan 0.000 0.269 277 P C 0.122 177.433 177.300 0.017 0.000 1.211 277 P CA 0.326 63.484 63.100 0.097 0.000 0.781 277 P CB 0.169 31.907 31.700 0.063 0.000 0.877 278 L N 3.198 124.377 121.223 -0.072 0.000 2.483 278 L HA 0.128 4.468 4.340 -0.000 0.000 0.275 278 L C -1.628 175.181 176.870 -0.102 0.000 1.220 278 L CA -1.533 53.193 54.840 -0.190 0.000 0.833 278 L CB -0.631 41.217 42.059 -0.352 0.000 1.102 278 L HN 0.315 nan 8.230 nan 0.000 0.490 279 P HA -0.066 nan 4.420 nan 0.000 0.268 279 P C 0.670 177.932 177.300 -0.063 0.000 1.208 279 P CA -0.151 62.911 63.100 -0.065 0.000 0.777 279 P CB 0.449 32.110 31.700 -0.066 0.000 0.875 280 M N 1.672 121.249 119.600 -0.038 0.000 2.088 280 M HA -0.242 4.238 4.480 -0.000 0.000 0.256 280 M C 1.286 177.588 176.300 0.004 0.000 1.071 280 M CA 2.298 57.586 55.300 -0.019 0.000 1.097 280 M CB -0.327 32.265 32.600 -0.013 0.000 1.315 280 M HN 0.205 nan 8.290 nan 0.000 0.406 281 M N -0.559 119.041 119.600 0.001 0.000 2.099 281 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 281 M C 2.278 178.617 176.300 0.065 0.000 1.067 281 M CA 1.771 57.116 55.300 0.075 0.000 1.124 281 M CB -1.483 31.105 32.600 -0.020 0.000 1.353 281 M HN 0.412 nan 8.290 nan 0.000 0.410 282 R N 0.461 120.924 120.500 -0.063 0.000 2.075 282 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 282 R C 2.035 178.239 176.300 -0.161 0.000 1.126 282 R CA 1.849 57.859 56.100 -0.150 0.000 0.963 282 R CB -0.273 29.885 30.300 -0.237 0.000 0.858 282 R HN 0.333 nan 8.270 nan 0.000 0.435 283 N N 0.433 119.053 118.700 -0.133 0.000 2.060 283 N HA -0.246 4.494 4.740 -0.000 0.000 0.195 283 N C 1.568 177.004 175.510 -0.124 0.000 1.028 283 N CA 2.094 55.074 53.050 -0.117 0.000 0.861 283 N CB -0.016 38.427 38.487 -0.074 0.000 1.029 283 N HN 0.387 nan 8.380 nan 0.000 0.428 284 Q N -1.237 118.494 119.800 -0.114 0.000 2.212 284 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 284 Q C 1.978 177.716 176.000 -0.437 0.000 0.950 284 Q CA 0.534 56.211 55.803 -0.210 0.000 0.863 284 Q CB -0.101 28.574 28.738 -0.106 0.000 0.944 284 Q HN 0.486 nan 8.270 nan 0.000 0.465 285 M N 1.713 121.053 119.600 -0.434 0.000 2.106 285 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 285 M C 2.021 178.085 176.300 -0.395 0.000 1.068 285 M CA 1.689 56.683 55.300 -0.511 0.000 1.100 285 M CB -0.470 32.004 32.600 -0.211 0.000 1.351 285 M HN 0.308 nan 8.290 nan 0.000 0.404 286 I N -1.620 118.782 120.570 -0.280 0.000 3.176 286 I HA -0.080 4.090 4.170 -0.000 0.000 0.275 286 I C 1.558 177.542 176.117 -0.222 0.000 1.298 286 I CA 1.406 62.573 61.300 -0.222 0.000 1.445 286 I CB -1.010 36.905 38.000 -0.142 0.000 1.075 286 I HN 0.320 nan 8.210 nan 0.000 0.482 287 T N -2.448 111.952 114.554 -0.257 0.000 3.086 287 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 287 T C 1.503 176.033 174.700 -0.284 0.000 1.074 287 T CA -0.168 61.795 62.100 -0.229 0.000 0.988 287 T CB -0.055 68.701 68.868 -0.186 0.000 0.988 287 T HN 0.410 nan 8.240 nan 0.000 0.530 288 R N 0.859 121.131 120.500 -0.380 0.000 2.508 288 R HA 0.324 4.664 4.340 -0.000 0.000 0.300 288 R C -0.146 175.832 176.300 -0.538 0.000 0.970 288 R CA 0.010 55.852 56.100 -0.430 0.000 1.102 288 R CB 1.375 31.359 30.300 -0.525 0.000 1.246 288 R HN 0.432 nan 8.270 nan 0.000 0.539 289 V N -0.841 118.740 119.914 -0.556 0.000 2.467 289 V HA 0.471 4.591 4.120 -0.000 0.000 0.260 289 V C -2.694 173.038 176.094 -0.603 0.000 0.963 289 V CA -2.315 59.542 62.300 -0.739 0.000 0.856 289 V CB 0.720 32.068 31.823 -0.792 0.000 1.087 289 V HN -0.111 nan 8.190 nan 0.000 0.467 290 P HA 0.500 nan 4.420 nan 0.000 0.274 290 P C -0.700 176.284 177.300 -0.527 0.000 1.256 290 P CA -0.283 62.480 63.100 -0.562 0.000 0.795 290 P CB 1.643 32.979 31.700 -0.607 0.000 1.038 291 L N -0.080 121.013 121.223 -0.218 0.000 2.334 291 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 291 L C 1.413 178.349 176.870 0.109 0.000 1.018 291 L CA -0.318 54.496 54.840 -0.043 0.000 0.811 291 L CB 0.634 42.695 42.059 0.004 0.000 1.271 291 L HN 0.458 nan 8.230 nan 0.000 0.443 292 G N -0.139 108.749 108.800 0.147 0.000 2.611 292 G HA2 0.434 4.394 3.960 -0.000 0.000 0.273 292 G HA3 0.434 4.394 3.960 -0.000 0.000 0.273 292 G C -0.758 174.143 174.900 0.002 0.000 1.305 292 G CA -0.351 44.787 45.100 0.063 0.000 1.010 292 G HN 0.492 nan 8.290 nan 0.000 0.509 293 S N -1.389 114.284 115.700 -0.045 0.000 2.605 293 S HA 0.585 5.055 4.470 -0.000 0.000 0.308 293 S C -1.055 173.539 174.600 -0.010 0.000 1.113 293 S CA -0.494 57.711 58.200 0.008 0.000 1.049 293 S CB 1.673 64.887 63.200 0.024 0.000 1.001 293 S HN 0.826 nan 8.310 nan 0.000 0.480 294 V N 4.836 124.799 119.914 0.081 0.000 3.000 294 V HA 0.573 4.693 4.120 -0.000 0.000 0.300 294 V C -1.968 174.298 176.094 0.288 0.000 1.251 294 V CA -0.757 61.631 62.300 0.146 0.000 0.972 294 V CB 1.806 33.671 31.823 0.070 0.000 1.065 294 V HN 0.878 nan 8.190 nan 0.000 0.431 295 I N 5.184 125.930 120.570 0.294 0.000 2.389 295 I HA 0.511 4.681 4.170 -0.000 0.000 0.288 295 I C -0.224 176.134 176.117 0.401 0.000 0.999 295 I CA -0.645 60.840 61.300 0.309 0.000 1.129 295 I CB 1.698 39.818 38.000 0.200 0.000 1.288 295 I HN 0.535 nan 8.210 nan 0.000 0.444 296 K N 5.934 126.610 120.400 0.461 0.000 2.227 296 K HA 0.563 4.883 4.320 -0.000 0.000 0.280 296 K C -1.377 175.342 176.600 0.198 0.000 1.041 296 K CA -0.276 56.254 56.287 0.405 0.000 0.905 296 K CB 0.886 33.694 32.500 0.514 0.000 1.068 296 K HN 0.703 nan 8.250 nan 0.000 0.470 297 C N 5.354 124.725 119.300 0.119 0.000 2.441 297 C HA 0.574 5.034 4.460 -0.000 0.000 0.318 297 C C -0.902 174.121 174.990 0.055 0.000 1.222 297 C CA -1.110 57.967 59.018 0.098 0.000 1.474 297 C CB 0.039 27.946 27.740 0.278 0.000 2.125 297 C HN 0.734 nan 8.230 nan 0.000 0.479 298 I N 2.986 123.544 120.570 -0.020 0.000 2.439 298 I HA 0.428 4.598 4.170 -0.000 0.000 0.285 298 I C -0.316 175.763 176.117 -0.063 0.000 1.021 298 I CA -0.173 61.064 61.300 -0.105 0.000 1.091 298 I CB 1.463 39.351 38.000 -0.187 0.000 1.242 298 I HN 0.364 nan 8.210 nan 0.000 0.439 299 V N 6.631 126.514 119.914 -0.053 0.000 2.370 299 V HA 0.380 4.500 4.120 -0.000 0.000 0.279 299 V C -0.588 175.289 176.094 -0.361 0.000 1.029 299 V CA -0.729 61.557 62.300 -0.025 0.000 0.870 299 V CB 0.654 32.523 31.823 0.077 0.000 0.984 299 V HN 0.407 nan 8.190 nan 0.000 0.451 300 Y N 4.209 124.455 120.300 -0.090 0.000 2.334 300 Y HA 0.640 5.190 4.550 0.000 0.000 0.328 300 Y C -0.223 175.533 175.900 -0.240 0.000 1.130 300 Y CA -0.309 57.778 58.100 -0.021 0.000 1.163 300 Y CB 1.131 39.684 38.460 0.155 0.000 1.207 300 Y HN 0.531 nan 8.280 nan 0.000 0.471 301 Y N 0.044 120.587 120.300 0.405 0.000 2.576 301 Y HA 0.267 4.817 4.550 -0.000 0.000 0.346 301 Y C 1.087 177.129 175.900 0.237 0.000 1.018 301 Y CA -1.417 56.897 58.100 0.356 0.000 1.050 301 Y CB 2.005 40.773 38.460 0.513 0.000 1.280 301 Y HN 0.518 nan 8.280 nan 0.000 0.474 302 K N 0.530 121.142 120.400 0.353 0.000 2.097 302 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 302 K C -0.532 176.136 176.600 0.113 0.000 1.049 302 K CA 1.686 58.076 56.287 0.172 0.000 0.933 302 K CB 0.222 32.797 32.500 0.125 0.000 0.717 302 K HN 0.751 nan 8.250 nan 0.000 0.442 303 E N -0.790 119.497 120.200 0.145 0.000 2.408 303 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 303 E C -2.675 173.774 176.600 -0.250 0.000 0.935 303 E CA -2.317 54.071 56.400 -0.020 0.000 0.775 303 E CB 2.288 31.972 29.700 -0.027 0.000 1.277 303 E HN -0.054 nan 8.360 nan 0.000 0.455 304 P HA 0.030 nan 4.420 nan 0.000 0.230 304 P C 0.231 176.594 177.300 -1.561 0.000 1.791 304 P CA 0.000 62.160 63.100 -1.568 0.000 1.020 304 P CB -0.915 30.198 31.700 -0.978 0.000 1.977 305 F N -0.280 119.112 119.950 -0.930 0.000 2.307 305 F HA -0.112 4.415 4.527 -0.000 0.000 0.301 305 F C 1.742 177.377 175.800 -0.275 0.000 1.076 305 F CA -0.066 57.676 58.000 -0.431 0.000 1.383 305 F CB -1.721 37.151 39.000 -0.214 0.000 1.055 305 F HN 0.111 nan 8.300 nan 0.000 0.526 306 W N 1.432 122.460 121.300 -0.453 0.000 2.374 306 W HA 0.006 4.666 4.660 0.000 0.000 0.288 306 W C 2.067 178.557 176.519 -0.048 0.000 1.218 306 W CA 0.934 58.198 57.345 -0.135 0.000 1.245 306 W CB -1.160 28.148 29.460 -0.254 0.000 1.126 306 W HN -0.140 nan 8.180 nan 0.000 0.545 307 R N 1.288 121.605 120.500 -0.305 0.000 2.105 307 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 307 R C 2.047 178.271 176.300 -0.126 0.000 1.135 307 R CA 1.956 57.959 56.100 -0.161 0.000 0.967 307 R CB -0.528 29.619 30.300 -0.255 0.000 0.861 307 R HN 0.303 nan 8.270 nan 0.000 0.442 308 K N 0.721 121.042 120.400 -0.132 0.000 2.209 308 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 308 K C 1.501 178.035 176.600 -0.110 0.000 1.048 308 K CA 1.114 57.345 56.287 -0.093 0.000 0.940 308 K CB 0.007 32.472 32.500 -0.058 0.000 0.729 308 K HN 0.101 nan 8.250 nan 0.000 0.451 309 K N 0.863 121.173 120.400 -0.150 0.000 2.437 309 K HA -0.040 4.280 4.320 -0.000 0.000 0.198 309 K C -0.493 175.770 176.600 -0.562 0.000 1.024 309 K CA 0.114 56.200 56.287 -0.336 0.000 1.148 309 K CB 0.259 32.533 32.500 -0.376 0.000 0.860 309 K HN 0.031 nan 8.250 nan 0.000 0.515 310 D N 0.044 120.265 120.400 -0.299 0.000 2.746 310 D HA -0.223 4.417 4.640 -0.000 0.000 0.236 310 D C -1.426 174.792 176.300 -0.136 0.000 1.129 310 D CA 0.894 54.777 54.000 -0.194 0.000 0.691 310 D CB -1.345 39.364 40.800 -0.152 0.000 1.077 310 D HN 0.332 nan 8.370 nan 0.000 0.432 311 Y N -0.911 119.432 120.300 0.070 0.000 2.393 311 Y HA 0.323 4.873 4.550 -0.000 0.000 0.341 311 Y C 2.028 178.013 175.900 0.142 0.000 0.988 311 Y CA -0.952 57.192 58.100 0.073 0.000 1.078 311 Y CB 1.301 39.816 38.460 0.091 0.000 1.203 311 Y HN 0.246 nan 8.280 nan 0.000 0.453 312 C N -1.026 118.401 119.300 0.213 0.000 2.495 312 C HA 0.436 4.896 4.460 -0.000 0.000 0.275 312 C C 1.734 176.788 174.990 0.106 0.000 1.392 312 C CA 0.614 59.730 59.018 0.164 0.000 1.766 312 C CB -0.875 26.887 27.740 0.037 0.000 1.933 312 C HN 1.229 nan 8.230 nan 0.000 0.519 313 G N -0.327 108.372 108.800 -0.169 0.000 2.211 313 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.201 313 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.201 313 G C 0.026 174.596 174.900 -0.549 0.000 0.997 313 G CA 0.176 44.864 45.100 -0.686 0.000 0.652 313 G HN 0.555 nan 8.290 nan 0.000 0.500 314 T N 2.449 116.783 114.554 -0.367 0.000 2.779 314 T HA 0.613 4.963 4.350 -0.000 0.000 0.296 314 T C 0.345 174.849 174.700 -0.328 0.000 0.938 314 T CA 0.582 62.450 62.100 -0.386 0.000 1.119 314 T CB 0.697 69.398 68.868 -0.278 0.000 0.891 314 T HN 0.297 nan 8.240 nan 0.000 0.526 315 M N 4.213 123.600 119.600 -0.354 0.000 2.326 315 M HA 0.506 4.986 4.480 -0.000 0.000 0.306 315 M C -0.800 175.504 176.300 0.007 0.000 1.054 315 M CA -0.592 54.616 55.300 -0.153 0.000 0.922 315 M CB 2.198 34.686 32.600 -0.187 0.000 1.632 315 M HN 0.397 nan 8.290 nan 0.000 0.436 316 I N 4.788 125.507 120.570 0.247 0.000 2.354 316 I HA 0.446 4.616 4.170 -0.000 0.000 0.286 316 I C -0.887 175.508 176.117 0.463 0.000 1.007 316 I CA -0.347 61.202 61.300 0.416 0.000 1.167 316 I CB 0.906 39.166 38.000 0.432 0.000 1.320 316 I HN 0.621 nan 8.210 nan 0.000 0.458 317 I N 5.137 125.935 120.570 0.380 0.000 2.390 317 I HA 0.300 4.470 4.170 -0.000 0.000 0.283 317 I C -0.283 176.024 176.117 0.317 0.000 1.016 317 I CA -0.497 61.007 61.300 0.340 0.000 1.151 317 I CB 1.252 39.387 38.000 0.225 0.000 1.293 317 I HN 0.463 nan 8.210 nan 0.000 0.458 318 D N 4.449 125.041 120.400 0.320 0.000 2.312 318 D HA 0.648 5.288 4.640 -0.000 0.000 0.248 318 D C 0.240 176.660 176.300 0.200 0.000 1.086 318 D CA 0.654 54.805 54.000 0.250 0.000 0.948 318 D CB 1.998 42.936 40.800 0.231 0.000 1.162 318 D HN 0.802 nan 8.370 nan 0.000 0.446 319 G N 1.730 110.628 108.800 0.164 0.000 2.539 319 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 319 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 319 G C 0.410 175.388 174.900 0.131 0.000 1.258 319 G CA 0.060 45.241 45.100 0.134 0.000 0.846 319 G HN 0.431 nan 8.290 nan 0.000 0.647 320 E N 0.004 120.275 120.200 0.117 0.000 2.152 320 E HA 0.016 4.366 4.350 -0.000 0.000 0.192 320 E C 2.161 178.825 176.600 0.106 0.000 0.983 320 E CA 2.280 58.758 56.400 0.130 0.000 0.818 320 E CB 0.009 29.781 29.700 0.121 0.000 0.758 320 E HN 0.618 nan 8.360 nan 0.000 0.467 321 E N 0.448 120.702 120.200 0.089 0.000 2.208 321 E HA 0.082 4.432 4.350 -0.000 0.000 0.193 321 E C 0.403 177.037 176.600 0.057 0.000 0.988 321 E CA 0.852 57.293 56.400 0.068 0.000 0.828 321 E CB -0.342 29.397 29.700 0.064 0.000 0.763 321 E HN 0.265 nan 8.360 nan 0.000 0.478 322 A N 2.738 125.603 122.820 0.076 0.000 2.444 322 A HA 0.174 4.494 4.320 -0.000 0.000 0.273 322 A C -1.397 176.217 177.584 0.050 0.000 1.136 322 A CA -1.171 50.904 52.037 0.064 0.000 0.799 322 A CB 0.157 19.219 19.000 0.104 0.000 1.081 322 A HN -0.013 nan 8.150 nan 0.000 0.509 323 P HA -0.060 nan 4.420 nan 0.000 0.218 323 P C 0.240 177.573 177.300 0.055 0.000 1.149 323 P CA 1.058 64.165 63.100 0.012 0.000 0.817 323 P CB 0.077 31.765 31.700 -0.021 0.000 0.785 324 V N -0.110 119.856 119.914 0.087 0.000 2.448 324 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 324 V C 1.072 177.285 176.094 0.199 0.000 1.025 324 V CA -0.168 62.231 62.300 0.165 0.000 0.859 324 V CB 1.425 33.368 31.823 0.200 0.000 0.988 324 V HN -0.037 nan 8.190 nan 0.000 0.431 325 A N 4.405 127.373 122.820 0.247 0.000 2.220 325 A HA 0.327 4.647 4.320 -0.000 0.000 0.211 325 A C 0.128 177.936 177.584 0.374 0.000 1.176 325 A CA 0.557 52.762 52.037 0.280 0.000 0.834 325 A CB 0.173 19.328 19.000 0.258 0.000 0.868 325 A HN 0.757 nan 8.150 nan 0.000 0.488 326 Y N -0.063 120.360 120.300 0.205 0.000 2.442 326 Y HA 0.473 5.023 4.550 0.000 0.000 0.330 326 Y C -0.457 175.495 175.900 0.087 0.000 1.100 326 Y CA -0.434 57.772 58.100 0.177 0.000 1.034 326 Y CB 1.589 40.201 38.460 0.254 0.000 1.285 326 Y HN 0.123 nan 8.280 nan 0.000 0.440 327 T N 4.099 118.304 114.554 -0.582 0.000 2.903 327 T HA 0.855 5.205 4.350 -0.000 0.000 0.299 327 T C -1.568 172.688 174.700 -0.740 0.000 1.093 327 T CA -0.827 60.940 62.100 -0.555 0.000 1.002 327 T CB 1.800 70.351 68.868 -0.529 0.000 1.127 327 T HN 0.609 nan 8.240 nan 0.000 0.488 328 L N 1.159 122.075 121.223 -0.511 0.000 2.388 328 L HA 0.497 4.837 4.340 -0.000 0.000 0.264 328 L C -0.544 176.131 176.870 -0.325 0.000 0.998 328 L CA -1.249 53.358 54.840 -0.389 0.000 0.817 328 L CB 2.212 44.123 42.059 -0.246 0.000 1.338 328 L HN 0.757 nan 8.230 nan 0.000 0.414 329 D N 1.077 121.322 120.400 -0.259 0.000 2.450 329 D HA -0.058 4.582 4.640 -0.000 0.000 0.247 329 D C -0.261 176.051 176.300 0.020 0.000 1.162 329 D CA 0.610 54.533 54.000 -0.128 0.000 0.879 329 D CB 1.175 42.021 40.800 0.078 0.000 1.163 329 D HN 0.509 nan 8.370 nan 0.000 0.472 330 D N 1.923 122.341 120.400 0.029 0.000 2.462 330 D HA 0.069 4.709 4.640 -0.000 0.000 0.221 330 D C -0.326 176.060 176.300 0.144 0.000 1.173 330 D CA -0.168 53.882 54.000 0.083 0.000 0.831 330 D CB 0.388 41.178 40.800 -0.016 0.000 1.001 330 D HN 0.218 nan 8.370 nan 0.000 0.499 331 T N 1.500 116.176 114.554 0.204 0.000 2.940 331 T HA 0.019 4.369 4.350 -0.000 0.000 0.309 331 T C 0.557 175.328 174.700 0.119 0.000 1.056 331 T CA -0.101 62.115 62.100 0.194 0.000 1.137 331 T CB 0.814 69.800 68.868 0.198 0.000 0.976 331 T HN -0.034 nan 8.240 nan 0.000 0.547 332 K N 3.770 124.203 120.400 0.056 0.000 2.336 332 K HA 0.046 4.366 4.320 -0.000 0.000 0.262 332 K C -1.406 175.067 176.600 -0.211 0.000 0.992 332 K CA -1.517 54.704 56.287 -0.111 0.000 0.927 332 K CB 0.116 32.589 32.500 -0.045 0.000 0.956 332 K HN 0.354 nan 8.250 nan 0.000 0.495 333 P HA -0.124 nan 4.420 nan 0.000 0.220 333 P C 0.339 177.553 177.300 -0.143 0.000 1.148 333 P CA 1.320 64.181 63.100 -0.400 0.000 0.803 333 P CB 0.294 31.642 31.700 -0.586 0.000 0.782 334 E N -0.811 119.330 120.200 -0.097 0.000 2.418 334 E HA 0.110 4.460 4.350 -0.000 0.000 0.197 334 E C 1.605 178.194 176.600 -0.018 0.000 1.026 334 E CA 1.060 57.442 56.400 -0.030 0.000 0.862 334 E CB -0.885 28.820 29.700 0.009 0.000 0.799 334 E HN 0.322 nan 8.360 nan 0.000 0.518 335 G N 0.595 109.385 108.800 -0.018 0.000 2.176 335 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.232 335 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.232 335 G C 0.111 175.005 174.900 -0.011 0.000 0.986 335 G CA 0.261 45.351 45.100 -0.017 0.000 0.643 335 G HN 0.371 nan 8.290 nan 0.000 0.522 336 N N -0.756 117.959 118.700 0.024 0.000 2.671 336 N HA 0.535 5.275 4.740 -0.000 0.000 0.303 336 N C 0.543 176.137 175.510 0.141 0.000 1.277 336 N CA -0.916 52.130 53.050 -0.007 0.000 0.933 336 N CB -0.003 38.413 38.487 -0.117 0.000 1.190 336 N HN 0.586 nan 8.380 nan 0.000 0.600 337 Y N -2.535 117.788 120.300 0.039 0.000 3.108 337 Y HA -0.177 4.373 4.550 -0.000 0.000 0.208 337 Y C 0.585 176.614 175.900 0.215 0.000 1.245 337 Y CA 0.340 58.510 58.100 0.117 0.000 1.171 337 Y CB -2.320 36.163 38.460 0.040 0.000 1.331 337 Y HN 0.739 nan 8.280 nan 0.000 0.534 338 A N 0.367 123.342 122.820 0.258 0.000 2.566 338 A HA 0.526 4.846 4.320 -0.000 0.000 0.245 338 A C 0.730 178.561 177.584 0.412 0.000 1.056 338 A CA 0.641 52.843 52.037 0.276 0.000 0.757 338 A CB 0.021 19.095 19.000 0.123 0.000 0.979 338 A HN 1.435 nan 8.150 nan 0.000 0.508 339 A N 2.826 125.895 122.820 0.415 0.000 2.589 339 A HA 0.632 4.952 4.320 -0.000 0.000 0.296 339 A C -0.932 176.645 177.584 -0.013 0.000 1.062 339 A CA -0.533 51.558 52.037 0.090 0.000 0.686 339 A CB 1.016 19.781 19.000 -0.391 0.000 1.282 339 A HN 0.699 nan 8.150 nan 0.000 0.404 340 I N 2.820 123.265 120.570 -0.207 0.000 2.362 340 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 340 I C -0.150 175.799 176.117 -0.281 0.000 0.994 340 I CA -0.374 60.668 61.300 -0.431 0.000 1.158 340 I CB 1.590 39.174 38.000 -0.694 0.000 1.315 340 I HN 0.739 nan 8.210 nan 0.000 0.451 341 M N 5.928 125.365 119.600 -0.271 0.000 2.144 341 M HA 0.563 5.043 4.480 -0.000 0.000 0.356 341 M C -0.281 175.855 176.300 -0.274 0.000 1.217 341 M CA -0.103 55.064 55.300 -0.221 0.000 1.087 341 M CB 0.972 33.470 32.600 -0.170 0.000 1.609 341 M HN 0.695 nan 8.290 nan 0.000 0.467 342 G N 4.616 113.311 108.800 -0.175 0.000 2.571 342 G HA2 0.686 4.646 3.960 -0.000 0.000 0.304 342 G HA3 0.686 4.646 3.960 -0.000 0.000 0.304 342 G C -1.861 172.963 174.900 -0.127 0.000 1.314 342 G CA -0.551 44.484 45.100 -0.109 0.000 0.975 342 G HN 0.662 nan 8.290 nan 0.000 0.485 343 F N 0.631 120.723 119.950 0.236 0.000 2.420 343 F HA 0.484 5.011 4.527 0.000 0.000 0.342 343 F C 0.591 176.505 175.800 0.190 0.000 1.113 343 F CA -0.704 57.440 58.000 0.240 0.000 1.059 343 F CB 2.089 41.262 39.000 0.288 0.000 1.128 343 F HN 0.054 nan 8.300 nan 0.000 0.475 344 I N 5.305 126.087 120.570 0.352 0.000 2.297 344 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 344 I C -0.727 175.488 176.117 0.162 0.000 1.033 344 I CA -0.332 61.092 61.300 0.206 0.000 1.253 344 I CB 0.751 38.838 38.000 0.146 0.000 1.396 344 I HN 0.382 nan 8.210 nan 0.000 0.476 345 L N 6.662 127.944 121.223 0.099 0.000 2.317 345 L HA 0.725 5.065 4.340 -0.000 0.000 0.281 345 L C 0.899 177.748 176.870 -0.035 0.000 1.024 345 L CA -0.140 54.722 54.840 0.037 0.000 0.810 345 L CB 1.473 43.563 42.059 0.052 0.000 1.240 345 L HN 0.909 nan 8.230 nan 0.000 0.427 346 A N 2.173 124.965 122.820 -0.046 0.000 5.369 346 A HA -0.354 3.966 4.320 -0.000 0.000 0.298 346 A C 1.648 179.234 177.584 0.002 0.000 2.000 346 A CA 1.311 53.326 52.037 -0.037 0.000 0.716 346 A CB -1.583 17.399 19.000 -0.031 0.000 1.248 346 A HN 1.081 nan 8.150 nan 0.000 0.365 347 H N 1.053 120.119 119.070 -0.007 0.000 2.457 347 H HA -0.030 4.526 4.556 0.000 0.000 0.297 347 H C 1.655 177.003 175.328 0.035 0.000 1.092 347 H CA 1.886 57.946 56.048 0.020 0.000 1.309 347 H CB -0.356 29.427 29.762 0.035 0.000 1.382 347 H HN 0.722 nan 8.280 nan 0.000 0.535 348 K N 0.604 120.669 120.400 -0.558 0.000 2.217 348 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 348 K C 2.540 179.078 176.600 -0.103 0.000 1.051 348 K CA 0.822 56.896 56.287 -0.354 0.000 0.952 348 K CB 0.081 32.391 32.500 -0.316 0.000 0.736 348 K HN 0.339 nan 8.250 nan 0.000 0.453 349 A N 1.338 124.130 122.820 -0.047 0.000 1.898 349 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 349 A C 2.057 179.658 177.584 0.028 0.000 1.181 349 A CA 1.262 53.312 52.037 0.023 0.000 0.620 349 A CB -0.263 18.768 19.000 0.052 0.000 0.819 349 A HN 0.101 nan 8.150 nan 0.000 0.442 350 R N -0.124 120.392 120.500 0.027 0.000 2.073 350 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 350 R C 2.325 178.648 176.300 0.038 0.000 1.134 350 R CA 1.900 58.025 56.100 0.042 0.000 0.952 350 R CB -0.308 30.030 30.300 0.064 0.000 0.850 350 R HN 0.648 nan 8.270 nan 0.000 0.433 351 K N 0.431 120.850 120.400 0.032 0.000 2.025 351 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 351 K C 1.605 178.219 176.600 0.023 0.000 1.049 351 K CA 1.340 57.648 56.287 0.035 0.000 0.933 351 K CB -0.004 32.522 32.500 0.043 0.000 0.714 351 K HN 0.152 nan 8.250 nan 0.000 0.438 352 L N 0.372 121.603 121.223 0.014 0.000 2.509 352 L HA 0.114 4.454 4.340 -0.000 0.000 0.222 352 L C 2.378 179.265 176.870 0.029 0.000 1.123 352 L CA 0.322 55.173 54.840 0.018 0.000 0.856 352 L CB -0.196 41.871 42.059 0.014 0.000 0.985 352 L HN 0.220 nan 8.230 nan 0.000 0.456 353 A N 0.823 123.663 122.820 0.033 0.000 2.024 353 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 353 A C 2.370 179.971 177.584 0.027 0.000 1.164 353 A CA 1.409 53.467 52.037 0.035 0.000 0.643 353 A CB -0.420 18.600 19.000 0.033 0.000 0.806 353 A HN 0.382 nan 8.150 nan 0.000 0.451 354 R N -0.665 119.849 120.500 0.023 0.000 2.152 354 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 354 R C 0.314 176.625 176.300 0.017 0.000 1.117 354 R CA 0.351 56.462 56.100 0.019 0.000 0.981 354 R CB -0.552 29.759 30.300 0.018 0.000 0.870 354 R HN 0.456 nan 8.270 nan 0.000 0.451 355 L N 0.718 121.952 121.223 0.019 0.000 2.475 355 L HA 0.096 4.436 4.340 -0.000 0.000 0.253 355 L C 1.070 177.953 176.870 0.021 0.000 1.198 355 L CA -0.442 54.407 54.840 0.015 0.000 0.814 355 L CB 0.350 42.416 42.059 0.011 0.000 1.134 355 L HN 0.118 nan 8.230 nan 0.000 0.478 356 T N -2.925 111.640 114.554 0.018 0.000 2.849 356 T HA 0.133 4.483 4.350 -0.000 0.000 0.284 356 T C 0.870 175.595 174.700 0.041 0.000 1.004 356 T CA -0.692 61.423 62.100 0.025 0.000 1.021 356 T CB 1.321 70.199 68.868 0.017 0.000 1.013 356 T HN 0.662 nan 8.240 nan 0.000 0.527 357 K N 0.407 120.847 120.400 0.067 0.000 2.044 357 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 357 K C 1.909 178.558 176.600 0.081 0.000 1.049 357 K CA 2.048 58.416 56.287 0.135 0.000 0.927 357 K CB -0.200 32.387 32.500 0.145 0.000 0.713 357 K HN 0.707 nan 8.250 nan 0.000 0.443 358 E N 0.606 120.820 120.200 0.024 0.000 2.106 358 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 358 E C 1.796 178.349 176.600 -0.078 0.000 0.984 358 E CA 1.326 57.703 56.400 -0.038 0.000 0.806 358 E CB 0.034 29.725 29.700 -0.015 0.000 0.750 358 E HN 0.402 nan 8.360 nan 0.000 0.458 359 E N 0.302 120.475 120.200 -0.045 0.000 2.077 359 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 359 E C 2.122 178.673 176.600 -0.081 0.000 0.989 359 E CA 0.797 57.166 56.400 -0.051 0.000 0.800 359 E CB -0.030 29.657 29.700 -0.023 0.000 0.746 359 E HN 0.127 nan 8.360 nan 0.000 0.452 360 R N 0.242 120.698 120.500 -0.073 0.000 2.075 360 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 360 R C 2.453 178.592 176.300 -0.269 0.000 1.126 360 R CA 0.704 56.747 56.100 -0.095 0.000 0.963 360 R CB -0.344 29.972 30.300 0.025 0.000 0.858 360 R HN 0.120 nan 8.270 nan 0.000 0.435 361 L N 1.898 122.832 121.223 -0.481 0.000 2.013 361 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 361 L C 2.194 178.840 176.870 -0.374 0.000 1.073 361 L CA 1.930 56.329 54.840 -0.735 0.000 0.753 361 L CB -0.533 41.075 42.059 -0.751 0.000 0.890 361 L HN 0.013 nan 8.230 nan 0.000 0.432 362 K N -0.526 119.734 120.400 -0.233 0.000 2.032 362 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 362 K C 2.166 178.677 176.600 -0.148 0.000 1.048 362 K CA 1.846 58.045 56.287 -0.146 0.000 0.927 362 K CB -0.099 32.344 32.500 -0.095 0.000 0.712 362 K HN 0.363 nan 8.250 nan 0.000 0.441 363 K N 0.165 120.473 120.400 -0.154 0.000 2.097 363 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 363 K C 2.095 178.558 176.600 -0.230 0.000 1.049 363 K CA 1.134 57.334 56.287 -0.145 0.000 0.933 363 K CB -0.090 32.347 32.500 -0.106 0.000 0.717 363 K HN 0.055 nan 8.250 nan 0.000 0.442 364 L N 0.694 121.722 121.223 -0.324 0.000 2.072 364 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 364 L C 2.418 178.844 176.870 -0.740 0.000 1.079 364 L CA 1.446 55.920 54.840 -0.610 0.000 0.752 364 L CB -0.650 41.085 42.059 -0.540 0.000 0.906 364 L HN 0.221 nan 8.230 nan 0.000 0.436 365 C N -0.606 118.495 119.300 -0.332 0.000 2.429 365 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 365 C C 2.655 177.618 174.990 -0.045 0.000 1.262 365 C CA 0.626 59.602 59.018 -0.069 0.000 1.733 365 C CB -0.749 27.002 27.740 0.019 0.000 2.010 365 C HN 0.549 nan 8.230 nan 0.000 0.483 366 E N 0.315 120.460 120.200 -0.092 0.000 2.077 366 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 366 E C 1.991 178.553 176.600 -0.062 0.000 0.989 366 E CA 0.973 57.340 56.400 -0.054 0.000 0.800 366 E CB -0.272 29.397 29.700 -0.052 0.000 0.746 366 E HN 0.521 nan 8.360 nan 0.000 0.452 367 L N 0.401 121.541 121.223 -0.139 0.000 1.994 367 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 367 L C 2.043 178.911 176.870 -0.004 0.000 1.071 367 L CA 1.776 56.543 54.840 -0.122 0.000 0.745 367 L CB -0.640 41.304 42.059 -0.192 0.000 0.892 367 L HN 0.210 nan 8.230 nan 0.000 0.431 368 Y N -0.680 119.602 120.300 -0.030 0.000 2.224 368 Y HA -0.244 4.306 4.550 -0.000 0.000 0.289 368 Y C 2.522 178.429 175.900 0.012 0.000 1.146 368 Y CA 0.279 58.366 58.100 -0.022 0.000 1.182 368 Y CB -0.545 37.941 38.460 0.044 0.000 0.983 368 Y HN 0.405 nan 8.280 nan 0.000 0.524 369 A N 0.498 123.422 122.820 0.173 0.000 1.933 369 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 369 A C 2.157 179.782 177.584 0.069 0.000 1.175 369 A CA 1.611 53.712 52.037 0.108 0.000 0.628 369 A CB -0.435 18.601 19.000 0.059 0.000 0.814 369 A HN 0.345 nan 8.150 nan 0.000 0.444 370 K N -0.582 119.835 120.400 0.029 0.000 2.001 370 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 370 K C 1.977 178.562 176.600 -0.024 0.000 1.048 370 K CA 1.482 57.771 56.287 0.004 0.000 0.932 370 K CB -0.342 32.138 32.500 -0.033 0.000 0.715 370 K HN 0.306 nan 8.250 nan 0.000 0.437 371 V N 1.813 121.651 119.914 -0.128 0.000 2.358 371 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 371 V C 2.142 178.180 176.094 -0.095 0.000 1.047 371 V CA 1.529 63.709 62.300 -0.199 0.000 1.035 371 V CB -0.331 31.333 31.823 -0.266 0.000 0.658 371 V HN 0.274 nan 8.190 nan 0.000 0.452 372 L N 0.329 121.533 121.223 -0.031 0.000 2.492 372 L HA 0.254 4.594 4.340 -0.000 0.000 0.223 372 L C 1.663 178.656 176.870 0.206 0.000 1.132 372 L CA 0.826 55.685 54.840 0.031 0.000 0.850 372 L CB -0.677 41.497 42.059 0.192 0.000 0.966 372 L HN 0.564 nan 8.230 nan 0.000 0.454 373 G N 0.614 109.498 108.800 0.140 0.000 2.246 373 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.273 373 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.273 373 G C -0.068 174.913 174.900 0.136 0.000 1.055 373 G CA 0.366 45.550 45.100 0.141 0.000 0.851 373 G HN 0.336 nan 8.290 nan 0.000 0.500 374 S N -0.786 114.983 115.700 0.116 0.000 2.672 374 S HA 0.493 4.963 4.470 -0.000 0.000 0.291 374 S C 1.186 175.748 174.600 -0.062 0.000 1.145 374 S CA -0.757 57.462 58.200 0.032 0.000 1.013 374 S CB 1.812 65.053 63.200 0.068 0.000 1.017 374 S HN 0.231 nan 8.310 nan 0.000 0.487 375 L N 1.832 123.000 121.223 -0.092 0.000 2.265 375 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 375 L C 2.173 178.926 176.870 -0.195 0.000 1.117 375 L CA 1.257 56.037 54.840 -0.100 0.000 0.782 375 L CB -0.402 41.614 42.059 -0.071 0.000 0.914 375 L HN 0.709 nan 8.230 nan 0.000 0.441 376 E N 0.400 120.354 120.200 -0.411 0.000 2.265 376 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 376 E C 2.220 178.403 176.600 -0.694 0.000 0.996 376 E CA 0.939 56.926 56.400 -0.688 0.000 0.832 376 E CB -0.120 28.832 29.700 -1.246 0.000 0.756 376 E HN 0.513 nan 8.360 nan 0.000 0.491 377 A N 0.645 123.175 122.820 -0.483 0.000 2.172 377 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 377 A C 1.885 179.629 177.584 0.267 0.000 1.154 377 A CA 0.697 52.744 52.037 0.017 0.000 0.701 377 A CB -0.266 18.890 19.000 0.260 0.000 0.789 377 A HN 0.168 nan 8.150 nan 0.000 0.465 378 L N -1.257 120.030 121.223 0.106 0.000 2.591 378 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 378 L C 0.339 177.294 176.870 0.142 0.000 1.133 378 L CA 0.291 55.199 54.840 0.112 0.000 0.880 378 L CB 0.042 42.123 42.059 0.036 0.000 1.033 378 L HN 0.228 nan 8.230 nan 0.000 0.450 379 E N 0.973 121.306 120.200 0.222 0.000 3.170 379 E HA 0.185 4.535 4.350 -0.000 0.000 0.212 379 E C -2.252 174.539 176.600 0.318 0.000 1.143 379 E CA -1.751 54.774 56.400 0.208 0.000 1.139 379 E CB 0.685 30.459 29.700 0.123 0.000 1.346 379 E HN 0.045 nan 8.360 nan 0.000 0.432 380 P HA -0.035 nan 4.420 nan 0.000 0.271 380 P C 0.770 178.118 177.300 0.080 0.000 1.218 380 P CA -0.074 63.019 63.100 -0.012 0.000 0.780 380 P CB 1.621 33.263 31.700 -0.096 0.000 0.901 381 V N -1.668 118.310 119.914 0.107 0.000 3.644 381 V HA 0.300 4.420 4.120 -0.000 0.000 0.267 381 V C 0.416 176.646 176.094 0.227 0.000 1.277 381 V CA 0.758 63.151 62.300 0.154 0.000 1.096 381 V CB -1.289 30.625 31.823 0.151 0.000 0.828 381 V HN 0.677 nan 8.190 nan 0.000 0.446 382 H N -1.133 118.015 119.070 0.130 0.000 3.024 382 H HA 0.596 5.152 4.556 0.000 0.000 0.324 382 H C -2.326 173.229 175.328 0.379 0.000 1.347 382 H CA -0.697 55.453 56.048 0.172 0.000 1.182 382 H CB 1.831 31.593 29.762 0.000 0.000 1.889 382 H HN 0.149 nan 8.280 nan 0.000 0.528 383 Y N 1.996 122.043 120.300 -0.422 0.000 2.441 383 Y HA 0.494 5.044 4.550 -0.000 0.000 0.334 383 Y C -1.616 174.159 175.900 -0.209 0.000 1.061 383 Y CA -0.642 57.371 58.100 -0.145 0.000 1.032 383 Y CB 1.646 40.038 38.460 -0.114 0.000 1.266 383 Y HN 0.603 nan 8.280 nan 0.000 0.441 384 E N 4.672 124.626 120.200 -0.410 0.000 2.266 384 E HA 0.416 4.766 4.350 -0.000 0.000 0.268 384 E C -1.402 174.823 176.600 -0.625 0.000 0.879 384 E CA -0.791 55.369 56.400 -0.400 0.000 0.762 384 E CB 2.737 32.444 29.700 0.012 0.000 1.199 384 E HN 0.784 nan 8.360 nan 0.000 0.422 385 E N 0.387 120.322 120.200 -0.442 0.000 2.412 385 E HA 0.686 5.036 4.350 -0.000 0.000 0.279 385 E C -1.217 175.337 176.600 -0.077 0.000 0.984 385 E CA -1.102 55.146 56.400 -0.252 0.000 0.788 385 E CB 2.248 31.785 29.700 -0.272 0.000 1.277 385 E HN 0.097 nan 8.360 nan 0.000 0.455 386 K N 1.424 121.831 120.400 0.012 0.000 2.615 386 K HA 0.299 4.619 4.320 -0.000 0.000 0.249 386 K C -1.750 174.820 176.600 -0.050 0.000 0.977 386 K CA -0.550 55.691 56.287 -0.076 0.000 0.833 386 K CB 1.437 33.880 32.500 -0.094 0.000 1.208 386 K HN 0.525 nan 8.250 nan 0.000 0.443 387 N N 4.207 122.841 118.700 -0.110 0.000 2.439 387 N HA 0.097 4.837 4.740 -0.000 0.000 0.243 387 N C -0.160 175.287 175.510 -0.104 0.000 1.088 387 N CA -0.260 52.780 53.050 -0.018 0.000 0.940 387 N CB 0.248 38.735 38.487 0.000 0.000 1.180 387 N HN 0.673 nan 8.380 nan 0.000 0.505 388 W N 2.139 123.489 121.300 0.084 0.000 2.699 388 W HA 0.009 4.669 4.660 -0.000 0.000 0.249 388 W C 1.982 178.526 176.519 0.041 0.000 1.280 388 W CA -0.046 57.342 57.345 0.072 0.000 1.345 388 W CB -0.165 29.353 29.460 0.098 0.000 1.128 388 W HN 0.581 nan 8.180 nan 0.000 0.642 389 C N 0.303 119.707 119.300 0.174 0.000 2.432 389 C HA -0.138 4.322 4.460 -0.000 0.000 0.282 389 C C 2.362 177.382 174.990 0.050 0.000 1.388 389 C CA 1.338 60.419 59.018 0.105 0.000 1.777 389 C CB -1.402 26.384 27.740 0.077 0.000 1.882 389 C HN 0.492 nan 8.230 nan 0.000 0.520 390 E N 0.775 120.983 120.200 0.013 0.000 2.478 390 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 390 E C -0.040 176.535 176.600 -0.042 0.000 1.045 390 E CA 0.401 56.786 56.400 -0.025 0.000 0.868 390 E CB -0.201 29.470 29.700 -0.047 0.000 0.885 390 E HN 0.482 nan 8.360 nan 0.000 0.505 391 E N 2.246 122.438 120.200 -0.013 0.000 2.070 391 E HA -0.024 4.326 4.350 -0.000 0.000 0.282 391 E C 0.507 177.092 176.600 -0.025 0.000 1.104 391 E CA 0.040 56.438 56.400 -0.004 0.000 0.876 391 E CB 1.395 31.149 29.700 0.090 0.000 1.055 391 E HN 0.370 nan 8.360 nan 0.000 0.401 392 Q N 2.890 122.613 119.800 -0.127 0.000 2.135 392 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 392 Q C 0.360 176.115 176.000 -0.409 0.000 0.981 392 Q CA 1.642 57.248 55.803 -0.328 0.000 0.856 392 Q CB 0.096 28.511 28.738 -0.539 0.000 0.902 392 Q HN 0.596 nan 8.270 nan 0.000 0.425 393 Y N -1.141 119.186 120.300 0.045 0.000 2.524 393 Y HA 0.248 4.798 4.550 -0.000 0.000 0.266 393 Y C 1.552 177.510 175.900 0.097 0.000 1.180 393 Y CA -0.244 57.891 58.100 0.058 0.000 1.244 393 Y CB 0.936 39.421 38.460 0.042 0.000 1.125 393 Y HN 0.078 nan 8.280 nan 0.000 0.524 394 S N -1.585 114.241 115.700 0.210 0.000 2.807 394 S HA 0.293 4.763 4.470 -0.000 0.000 0.247 394 S C 1.845 176.527 174.600 0.136 0.000 1.078 394 S CA 0.567 58.896 58.200 0.215 0.000 0.867 394 S CB 0.541 63.952 63.200 0.353 0.000 0.797 394 S HN 0.513 nan 8.310 nan 0.000 0.515 395 G N 1.002 109.865 108.800 0.105 0.000 2.195 395 G HA2 0.106 4.066 3.960 -0.000 0.000 0.246 395 G HA3 0.106 4.066 3.960 -0.000 0.000 0.246 395 G C 0.476 175.421 174.900 0.075 0.000 0.984 395 G CA 0.061 45.192 45.100 0.051 0.000 0.633 395 G HN 1.354 nan 8.290 nan 0.000 0.525 396 G N -2.309 106.577 108.800 0.144 0.000 2.350 396 G HA2 0.516 4.476 3.960 -0.000 0.000 0.276 396 G HA3 0.516 4.476 3.960 -0.000 0.000 0.276 396 G C -0.963 174.031 174.900 0.157 0.000 1.313 396 G CA 0.337 45.534 45.100 0.162 0.000 0.903 396 G HN 1.469 nan 8.290 nan 0.000 0.490 397 C N -1.741 117.598 119.300 0.066 0.000 3.311 397 C HA 0.606 5.066 4.460 -0.000 0.000 0.325 397 C C 0.734 175.582 174.990 -0.238 0.000 1.352 397 C CA -0.613 58.369 59.018 -0.059 0.000 1.308 397 C CB 0.761 28.379 27.740 -0.203 0.000 1.619 397 C HN 0.718 nan 8.230 nan 0.000 0.469 398 Y N 0.551 120.786 120.300 -0.108 0.000 2.337 398 Y HA 0.227 4.777 4.550 -0.000 0.000 0.293 398 Y C 1.584 177.444 175.900 -0.067 0.000 1.123 398 Y CA 1.183 59.183 58.100 -0.168 0.000 1.201 398 Y CB -0.425 37.905 38.460 -0.217 0.000 1.011 398 Y HN 0.687 nan 8.280 nan 0.000 0.545 399 T N -1.868 112.762 114.554 0.127 0.000 2.671 399 T HA 0.355 4.705 4.350 -0.000 0.000 0.300 399 T C -0.832 173.970 174.700 0.170 0.000 1.238 399 T CA -0.702 61.514 62.100 0.194 0.000 1.020 399 T CB 1.068 70.141 68.868 0.340 0.000 1.503 399 T HN -0.155 nan 8.240 nan 0.000 0.497 400 T N 2.692 117.367 114.554 0.201 0.000 2.794 400 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 400 T C -0.728 174.011 174.700 0.065 0.000 0.949 400 T CA -0.005 62.124 62.100 0.048 0.000 1.101 400 T CB -0.433 68.457 68.868 0.037 0.000 0.905 400 T HN 0.469 nan 8.240 nan 0.000 0.516 401 Y N 1.009 121.110 120.300 -0.331 0.000 2.453 401 Y HA 0.789 5.339 4.550 -0.000 0.000 0.326 401 Y C -1.108 174.245 175.900 -0.912 0.000 1.186 401 Y CA -2.146 55.384 58.100 -0.950 0.000 1.200 401 Y CB 0.697 38.689 38.460 -0.781 0.000 1.247 401 Y HN 0.392 nan 8.280 nan 0.000 0.482 402 F N 3.018 122.180 119.950 -1.313 0.000 2.402 402 F HA 0.552 5.079 4.527 -0.000 0.000 0.355 402 F C -2.317 173.370 175.800 -0.190 0.000 1.123 402 F CA -2.803 54.823 58.000 -0.624 0.000 1.021 402 F CB 1.437 40.154 39.000 -0.472 0.000 1.160 402 F HN 0.360 nan 8.300 nan 0.000 0.451 403 P HA 0.130 nan 4.420 nan 0.000 0.273 403 P C -2.564 174.832 177.300 0.160 0.000 1.250 403 P CA -1.253 61.920 63.100 0.121 0.000 0.793 403 P CB -0.139 31.583 31.700 0.036 0.000 1.011 404 P HA -0.015 nan 4.420 nan 0.000 0.264 404 P C 0.883 178.275 177.300 0.153 0.000 1.193 404 P CA 1.225 64.426 63.100 0.169 0.000 0.763 404 P CB -0.092 31.692 31.700 0.140 0.000 0.810 405 G N 3.000 111.907 108.800 0.178 0.000 2.213 405 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.236 405 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.236 405 G C 0.800 175.823 174.900 0.206 0.000 0.991 405 G CA 0.073 45.270 45.100 0.162 0.000 0.629 405 G HN 0.419 nan 8.290 nan 0.000 0.517 406 I N 0.316 121.040 120.570 0.256 0.000 2.339 406 I HA 0.140 4.310 4.170 -0.000 0.000 0.245 406 I C 2.667 179.051 176.117 0.445 0.000 1.096 406 I CA 1.408 62.917 61.300 0.349 0.000 1.408 406 I CB -1.301 36.813 38.000 0.190 0.000 1.092 406 I HN 0.276 nan 8.210 nan 0.000 0.423 407 L N 1.111 122.596 121.223 0.437 0.000 2.042 407 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 407 L C 2.653 179.616 176.870 0.156 0.000 1.076 407 L CA 2.535 57.490 54.840 0.192 0.000 0.749 407 L CB -0.940 41.106 42.059 -0.022 0.000 0.893 407 L HN 0.444 nan 8.230 nan 0.000 0.432 408 T N -4.179 110.472 114.554 0.163 0.000 2.821 408 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 408 T C 1.827 176.500 174.700 -0.045 0.000 1.046 408 T CA 1.018 63.183 62.100 0.108 0.000 1.139 408 T CB -0.363 68.568 68.868 0.105 0.000 0.871 408 T HN 0.344 nan 8.240 nan 0.000 0.454 409 Q N -0.016 119.752 119.800 -0.053 0.000 2.187 409 Q HA 0.108 4.448 4.340 -0.000 0.000 0.199 409 Q C 1.059 176.731 176.000 -0.547 0.000 0.957 409 Q CA 1.227 56.847 55.803 -0.306 0.000 0.857 409 Q CB -0.024 28.522 28.738 -0.321 0.000 0.929 409 Q HN 0.789 nan 8.270 nan 0.000 0.453 410 Y N -1.903 118.340 120.300 -0.096 0.000 2.499 410 Y HA 0.272 4.822 4.550 -0.000 0.000 0.253 410 Y C 1.938 177.733 175.900 -0.174 0.000 1.105 410 Y CA 0.059 58.086 58.100 -0.123 0.000 1.240 410 Y CB 0.318 38.745 38.460 -0.054 0.000 1.289 410 Y HN 0.077 nan 8.280 nan 0.000 0.534 411 G N 1.603 110.334 108.800 -0.115 0.000 2.440 411 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 411 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 411 G C 1.738 176.234 174.900 -0.674 0.000 1.154 411 G CA 1.052 46.014 45.100 -0.231 0.000 0.767 411 G HN 0.392 nan 8.290 nan 0.000 0.552 412 R N 0.171 119.905 120.500 -1.278 0.000 2.328 412 R HA 0.126 4.466 4.340 -0.000 0.000 0.207 412 R C 1.554 177.601 176.300 -0.422 0.000 1.056 412 R CA 0.837 56.212 56.100 -1.208 0.000 1.016 412 R CB -0.438 29.126 30.300 -1.226 0.000 0.872 412 R HN 0.267 nan 8.270 nan 0.000 0.471 413 V N 1.165 120.897 119.914 -0.303 0.000 3.506 413 V HA -0.007 4.113 4.120 -0.000 0.000 0.263 413 V C 2.263 178.248 176.094 -0.182 0.000 1.203 413 V CA 0.302 62.488 62.300 -0.189 0.000 1.133 413 V CB -0.095 31.635 31.823 -0.154 0.000 0.802 413 V HN 0.280 nan 8.190 nan 0.000 0.459 414 L N 0.884 122.042 121.223 -0.109 0.000 1.997 414 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 414 L C 2.403 179.211 176.870 -0.104 0.000 1.074 414 L CA 2.497 57.297 54.840 -0.067 0.000 0.763 414 L CB -0.232 41.893 42.059 0.110 0.000 0.890 414 L HN 0.459 nan 8.230 nan 0.000 0.434 415 R N -0.729 119.808 120.500 0.061 0.000 2.509 415 R HA 0.132 4.472 4.340 -0.000 0.000 0.300 415 R C 0.593 177.028 176.300 0.225 0.000 0.985 415 R CA -0.229 55.992 56.100 0.202 0.000 1.092 415 R CB -0.060 30.423 30.300 0.305 0.000 1.237 415 R HN 0.253 nan 8.270 nan 0.000 0.546 416 Q N 2.769 122.619 119.800 0.084 0.000 2.271 416 Q HA 0.165 4.505 4.340 -0.000 0.000 0.273 416 Q C -2.074 174.022 176.000 0.160 0.000 1.051 416 Q CA -2.042 53.813 55.803 0.087 0.000 0.901 416 Q CB 0.794 29.527 28.738 -0.008 0.000 1.174 416 Q HN 0.036 nan 8.270 nan 0.000 0.385 417 P HA -0.050 nan 4.420 nan 0.000 0.265 417 P C -1.214 176.092 177.300 0.011 0.000 1.193 417 P CA 0.012 63.068 63.100 -0.075 0.000 0.765 417 P CB 0.631 32.042 31.700 -0.481 0.000 0.823 418 V N 3.893 123.859 119.914 0.088 0.000 2.288 418 V HA 0.118 4.238 4.120 -0.000 0.000 0.266 418 V C 0.851 176.919 176.094 -0.044 0.000 1.048 418 V CA 0.269 62.594 62.300 0.042 0.000 0.842 418 V CB -0.157 31.733 31.823 0.111 0.000 1.064 418 V HN 0.776 nan 8.190 nan 0.000 0.472 419 D N 4.231 124.603 120.400 -0.048 0.000 4.372 419 D HA -0.311 4.329 4.640 -0.000 0.000 0.169 419 D C 1.387 177.673 176.300 -0.023 0.000 0.680 419 D CA 2.450 56.439 54.000 -0.019 0.000 1.152 419 D CB -0.339 40.465 40.800 0.007 0.000 0.585 419 D HN 0.555 nan 8.370 nan 0.000 0.493 420 R N -0.172 120.344 120.500 0.026 0.000 2.432 420 R HA 0.443 4.783 4.340 -0.000 0.000 0.260 420 R C -0.147 176.251 176.300 0.165 0.000 0.935 420 R CA -0.138 56.074 56.100 0.187 0.000 1.080 420 R CB 0.421 30.788 30.300 0.113 0.000 1.155 420 R HN 0.299 nan 8.270 nan 0.000 0.531 421 I N 1.299 121.813 120.570 -0.093 0.000 2.315 421 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 421 I C -0.591 175.185 176.117 -0.569 0.000 1.006 421 I CA -0.596 60.566 61.300 -0.231 0.000 1.265 421 I CB 0.630 38.473 38.000 -0.261 0.000 1.387 421 I HN -0.087 nan 8.210 nan 0.000 0.475 422 Y N 5.394 125.469 120.300 -0.374 0.000 2.487 422 Y HA 0.526 5.076 4.550 -0.000 0.000 0.337 422 Y C -0.509 175.092 175.900 -0.499 0.000 1.076 422 Y CA -0.673 57.247 58.100 -0.299 0.000 1.115 422 Y CB 1.485 39.875 38.460 -0.117 0.000 1.235 422 Y HN 0.288 nan 8.280 nan 0.000 0.468 423 F N 1.497 121.551 119.950 0.174 0.000 2.427 423 F HA 0.698 5.224 4.527 -0.000 0.000 0.348 423 F C 0.431 176.307 175.800 0.126 0.000 1.125 423 F CA -0.551 57.526 58.000 0.129 0.000 0.989 423 F CB 0.975 40.036 39.000 0.102 0.000 1.165 423 F HN 0.606 nan 8.300 nan 0.000 0.442 424 A N 2.320 125.278 122.820 0.229 0.000 3.444 424 A HA 0.951 5.271 4.320 -0.000 0.000 0.189 424 A C 0.419 178.127 177.584 0.207 0.000 1.542 424 A CA -0.385 51.756 52.037 0.174 0.000 0.867 424 A CB -0.105 18.955 19.000 0.099 0.000 1.712 424 A HN 1.460 nan 8.150 nan 0.000 0.556 425 G N -2.483 106.419 108.800 0.170 0.000 2.777 425 G HA2 0.082 4.042 3.960 -0.000 0.000 0.686 425 G HA3 0.082 4.042 3.960 -0.000 0.000 0.686 425 G C 0.449 175.476 174.900 0.212 0.000 1.177 425 G CA 0.635 45.844 45.100 0.182 0.000 0.775 425 G HN 1.574 nan 8.290 nan 0.000 0.613 426 T N 0.293 114.972 114.554 0.209 0.000 2.778 426 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 426 T C 2.127 177.023 174.700 0.327 0.000 1.050 426 T CA 2.729 64.978 62.100 0.249 0.000 1.137 426 T CB -0.186 68.820 68.868 0.229 0.000 0.860 426 T HN 0.637 nan 8.240 nan 0.000 0.468 427 E N 0.486 120.887 120.200 0.335 0.000 2.209 427 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 427 E C 2.243 179.103 176.600 0.434 0.000 0.993 427 E CA 1.598 58.251 56.400 0.422 0.000 0.819 427 E CB -0.237 29.678 29.700 0.359 0.000 0.745 427 E HN 0.726 nan 8.360 nan 0.000 0.477 428 T N -2.539 112.232 114.554 0.361 0.000 3.107 428 T HA 0.457 4.807 4.350 -0.000 0.000 0.249 428 T C 0.761 175.700 174.700 0.398 0.000 1.096 428 T CA 0.026 62.340 62.100 0.356 0.000 1.012 428 T CB 0.168 69.223 68.868 0.311 0.000 0.977 428 T HN 0.102 nan 8.240 nan 0.000 0.527 429 A N 1.659 124.721 122.820 0.403 0.000 2.313 429 A HA 0.559 4.879 4.320 -0.000 0.000 0.261 429 A C 1.501 179.362 177.584 0.462 0.000 1.090 429 A CA 0.078 52.357 52.037 0.403 0.000 0.807 429 A CB 0.399 19.594 19.000 0.325 0.000 1.055 429 A HN 0.501 nan 8.150 nan 0.000 0.492 430 T N -2.674 112.129 114.554 0.415 0.000 3.010 430 T HA 0.239 4.589 4.350 -0.000 0.000 0.257 430 T C 0.229 175.051 174.700 0.204 0.000 1.020 430 T CA 0.652 62.952 62.100 0.333 0.000 0.938 430 T CB -0.375 68.619 68.868 0.209 0.000 1.049 430 T HN 0.759 nan 8.240 nan 0.000 0.522 431 H N -1.042 118.070 119.070 0.069 0.000 2.934 431 H HA 0.275 4.831 4.556 -0.000 0.000 0.340 431 H C -1.002 174.358 175.328 0.054 0.000 1.008 431 H CA -1.076 54.935 56.048 -0.061 0.000 1.317 431 H CB 0.897 30.676 29.762 0.029 0.000 1.670 431 H HN 0.295 nan 8.280 nan 0.000 0.516 432 W N 2.171 123.240 121.300 -0.385 0.000 5.121 432 W HA -0.251 4.409 4.660 0.000 0.000 0.372 432 W C 0.543 177.020 176.519 -0.069 0.000 1.394 432 W CA 0.994 58.096 57.345 -0.405 0.000 0.885 432 W CB -1.767 27.373 29.460 -0.533 0.000 2.520 432 W HN 0.417 nan 8.180 nan 0.000 1.455 433 S N 0.547 116.295 115.700 0.079 0.000 2.558 433 S HA 0.357 4.827 4.470 -0.000 0.000 0.293 433 S C 1.455 176.251 174.600 0.328 0.000 1.292 433 S CA 1.828 60.179 58.200 0.252 0.000 1.063 433 S CB 0.734 64.158 63.200 0.372 0.000 0.831 433 S HN 1.484 nan 8.310 nan 0.000 0.499 434 G N 3.123 112.180 108.800 0.428 0.000 2.232 434 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.226 434 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.226 434 G C -0.164 174.800 174.900 0.107 0.000 0.996 434 G CA 0.291 45.627 45.100 0.394 0.000 0.626 434 G HN 0.699 nan 8.290 nan 0.000 0.509 435 Y N -0.376 120.032 120.300 0.181 0.000 2.631 435 Y HA 0.720 5.270 4.550 -0.000 0.000 0.328 435 Y C 2.017 177.955 175.900 0.063 0.000 1.118 435 Y CA -0.715 57.443 58.100 0.098 0.000 1.206 435 Y CB 0.768 39.272 38.460 0.073 0.000 1.337 435 Y HN -0.020 nan 8.280 nan 0.000 0.515 436 M N -0.157 119.545 119.600 0.170 0.000 2.149 436 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 436 M C 1.835 178.192 176.300 0.094 0.000 1.064 436 M CA 1.865 57.230 55.300 0.109 0.000 1.102 436 M CB -0.235 32.423 32.600 0.097 0.000 1.369 436 M HN 0.772 nan 8.290 nan 0.000 0.408 437 E N 0.815 121.048 120.200 0.054 0.000 2.070 437 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 437 E C 1.975 178.634 176.600 0.098 0.000 1.004 437 E CA 2.099 58.497 56.400 -0.005 0.000 0.805 437 E CB -0.692 28.866 29.700 -0.237 0.000 0.744 437 E HN 0.428 nan 8.360 nan 0.000 0.451 438 G N 0.026 108.938 108.800 0.187 0.000 2.432 438 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 438 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 438 G C 1.707 176.722 174.900 0.190 0.000 1.135 438 G CA 1.121 46.354 45.100 0.222 0.000 0.767 438 G HN 0.477 nan 8.290 nan 0.000 0.550 439 A N 0.285 123.203 122.820 0.163 0.000 1.883 439 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 439 A C 2.621 180.264 177.584 0.100 0.000 1.186 439 A CA 1.974 54.090 52.037 0.131 0.000 0.624 439 A CB -0.695 18.370 19.000 0.109 0.000 0.822 439 A HN 0.268 nan 8.150 nan 0.000 0.444 440 V N 0.118 120.082 119.914 0.083 0.000 2.295 440 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 440 V C 2.550 178.683 176.094 0.064 0.000 1.049 440 V CA 2.237 64.572 62.300 0.059 0.000 1.024 440 V CB -0.820 31.030 31.823 0.046 0.000 0.648 440 V HN 0.728 nan 8.190 nan 0.000 0.447 441 E N 0.398 120.656 120.200 0.097 0.000 2.049 441 E HA -0.291 4.059 4.350 -0.000 0.000 0.198 441 E C 2.219 178.859 176.600 0.068 0.000 1.007 441 E CA 1.881 58.349 56.400 0.113 0.000 0.809 441 E CB -0.172 29.645 29.700 0.196 0.000 0.749 441 E HN 0.555 nan 8.360 nan 0.000 0.450 442 A N 0.550 123.430 122.820 0.101 0.000 1.929 442 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 442 A C 2.403 180.006 177.584 0.033 0.000 1.176 442 A CA 1.544 53.631 52.037 0.083 0.000 0.628 442 A CB -0.931 18.168 19.000 0.164 0.000 0.816 442 A HN 0.437 nan 8.150 nan 0.000 0.444 443 G N -0.199 108.626 108.800 0.042 0.000 2.433 443 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 443 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 443 G C 1.428 176.313 174.900 -0.025 0.000 1.186 443 G CA 1.009 46.119 45.100 0.017 0.000 0.779 443 G HN 0.636 nan 8.290 nan 0.000 0.543 444 E N -0.214 119.969 120.200 -0.029 0.000 2.110 444 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 444 E C 2.540 179.067 176.600 -0.120 0.000 0.988 444 E CA 0.471 56.838 56.400 -0.056 0.000 0.804 444 E CB -0.130 29.553 29.700 -0.028 0.000 0.745 444 E HN 0.307 nan 8.360 nan 0.000 0.458 445 R N 1.013 121.405 120.500 -0.180 0.000 2.075 445 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 445 R C 2.184 178.307 176.300 -0.296 0.000 1.126 445 R CA 1.333 57.214 56.100 -0.365 0.000 0.963 445 R CB -0.212 29.701 30.300 -0.645 0.000 0.858 445 R HN 0.136 nan 8.270 nan 0.000 0.435 446 A N 0.918 123.637 122.820 -0.169 0.000 1.902 446 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 446 A C 2.394 179.872 177.584 -0.177 0.000 1.181 446 A CA 1.641 53.618 52.037 -0.100 0.000 0.623 446 A CB -0.674 18.328 19.000 0.002 0.000 0.818 446 A HN 0.530 nan 8.150 nan 0.000 0.443 447 A N -0.091 122.639 122.820 -0.150 0.000 1.883 447 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 447 A C 2.256 179.715 177.584 -0.207 0.000 1.186 447 A CA 1.624 53.565 52.037 -0.160 0.000 0.624 447 A CB -0.480 18.461 19.000 -0.098 0.000 0.822 447 A HN 0.544 nan 8.150 nan 0.000 0.444 448 R N -0.537 119.848 120.500 -0.192 0.000 2.148 448 R HA -0.072 4.268 4.340 -0.000 0.000 0.227 448 R C 2.047 178.224 176.300 -0.205 0.000 1.103 448 R CA 1.168 57.161 56.100 -0.177 0.000 0.983 448 R CB -0.254 29.952 30.300 -0.157 0.000 0.874 448 R HN 0.678 nan 8.270 nan 0.000 0.451 449 E N 0.717 120.754 120.200 -0.271 0.000 2.085 449 E HA -0.205 4.144 4.350 -0.000 0.000 0.194 449 E C 1.980 178.264 176.600 -0.526 0.000 0.994 449 E CA 1.183 57.410 56.400 -0.289 0.000 0.801 449 E CB -0.097 29.465 29.700 -0.229 0.000 0.743 449 E HN 0.336 nan 8.360 nan 0.000 0.453 450 I N 0.997 121.118 120.570 -0.748 0.000 2.202 450 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 450 I C 2.393 178.186 176.117 -0.540 0.000 1.091 450 I CA 0.866 61.630 61.300 -0.894 0.000 1.368 450 I CB -0.208 37.319 38.000 -0.788 0.000 1.058 450 I HN 0.125 nan 8.210 nan 0.000 0.410 451 L N 0.020 121.055 121.223 -0.314 0.000 2.043 451 L HA -0.309 4.031 4.340 -0.000 0.000 0.212 451 L C 2.732 179.530 176.870 -0.121 0.000 1.075 451 L CA 1.856 56.590 54.840 -0.176 0.000 0.752 451 L CB -0.939 41.054 42.059 -0.110 0.000 0.891 451 L HN 0.392 nan 8.230 nan 0.000 0.432 452 H N -0.153 118.804 119.070 -0.187 0.000 2.395 452 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 452 H C 2.113 177.378 175.328 -0.105 0.000 1.070 452 H CA 1.327 57.307 56.048 -0.115 0.000 1.356 452 H CB 0.087 29.800 29.762 -0.081 0.000 1.401 452 H HN 0.257 nan 8.280 nan 0.000 0.524 453 A N 0.584 123.236 122.820 -0.279 0.000 1.978 453 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 453 A C 2.258 179.741 177.584 -0.168 0.000 1.170 453 A CA 1.782 53.672 52.037 -0.246 0.000 0.636 453 A CB -0.627 18.203 19.000 -0.283 0.000 0.810 453 A HN 0.569 nan 8.150 nan 0.000 0.448 454 M N -1.475 118.012 119.600 -0.189 0.000 2.618 454 M HA 0.145 4.625 4.480 -0.000 0.000 0.240 454 M C 1.406 177.664 176.300 -0.071 0.000 1.123 454 M CA 0.766 56.030 55.300 -0.060 0.000 1.060 454 M CB 0.121 32.693 32.600 -0.046 0.000 1.535 454 M HN 0.629 nan 8.290 nan 0.000 0.507 455 G N 1.073 109.790 108.800 -0.139 0.000 2.162 455 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 455 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 455 G C 0.911 175.781 174.900 -0.050 0.000 0.976 455 G CA 0.593 45.629 45.100 -0.107 0.000 0.655 455 G HN 0.467 nan 8.290 nan 0.000 0.533 456 K N -0.359 120.013 120.400 -0.047 0.000 2.228 456 K HA 0.260 4.580 4.320 -0.000 0.000 0.202 456 K C 1.369 177.969 176.600 -0.001 0.000 1.051 456 K CA 1.371 57.644 56.287 -0.024 0.000 0.960 456 K CB 0.152 32.631 32.500 -0.035 0.000 0.743 456 K HN 0.830 nan 8.250 nan 0.000 0.458 457 I N -2.098 118.488 120.570 0.027 0.000 2.865 457 I HA 0.434 4.604 4.170 -0.000 0.000 0.302 457 I C -2.986 173.222 176.117 0.151 0.000 1.140 457 I CA -3.047 58.288 61.300 0.059 0.000 1.021 457 I CB 2.419 40.438 38.000 0.032 0.000 1.233 457 I HN -0.258 nan 8.210 nan 0.000 0.427 458 P HA 0.089 nan 4.420 nan 0.000 0.274 458 P C 0.217 177.544 177.300 0.044 0.000 1.237 458 P CA 0.003 63.183 63.100 0.134 0.000 0.793 458 P CB 1.123 32.863 31.700 0.066 0.000 0.977 459 E N 1.215 121.358 120.200 -0.095 0.000 2.130 459 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 459 E C 1.105 177.612 176.600 -0.156 0.000 0.998 459 E CA 1.636 57.772 56.400 -0.441 0.000 0.806 459 E CB -0.135 29.374 29.700 -0.319 0.000 0.738 459 E HN 0.553 nan 8.360 nan 0.000 0.459 460 D N -0.432 119.943 120.400 -0.041 0.000 2.378 460 D HA -0.144 4.495 4.640 -0.000 0.000 0.227 460 D C 0.864 177.187 176.300 0.040 0.000 1.012 460 D CA 0.572 54.582 54.000 0.017 0.000 0.905 460 D CB -0.117 40.696 40.800 0.021 0.000 0.895 460 D HN 0.271 nan 8.370 nan 0.000 0.532 461 E N -0.340 119.868 120.200 0.013 0.000 2.498 461 E HA 0.180 4.530 4.350 -0.000 0.000 0.203 461 E C 1.914 178.512 176.600 -0.003 0.000 1.013 461 E CA -0.311 56.101 56.400 0.020 0.000 0.927 461 E CB 0.411 30.119 29.700 0.013 0.000 1.012 461 E HN 0.276 nan 8.360 nan 0.000 0.482 462 I N 0.019 120.572 120.570 -0.029 0.000 2.226 462 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 462 I C 0.387 176.371 176.117 -0.221 0.000 1.100 462 I CA 1.227 62.443 61.300 -0.140 0.000 1.374 462 I CB 0.087 37.992 38.000 -0.160 0.000 1.057 462 I HN 0.102 nan 8.210 nan 0.000 0.413 463 W N 1.471 122.769 121.300 -0.003 0.000 2.329 463 W HA 0.489 5.149 4.660 -0.000 0.000 0.312 463 W C 0.070 176.595 176.519 0.011 0.000 1.054 463 W CA -0.298 57.056 57.345 0.016 0.000 1.245 463 W CB 0.644 30.116 29.460 0.019 0.000 1.255 463 W HN -0.078 nan 8.180 nan 0.000 0.436 464 Q N 2.687 122.609 119.800 0.203 0.000 2.333 464 Q HA 0.405 4.745 4.340 -0.000 0.000 0.267 464 Q C 0.201 176.280 176.000 0.132 0.000 1.012 464 Q CA -0.499 55.382 55.803 0.129 0.000 0.824 464 Q CB 1.741 30.519 28.738 0.067 0.000 1.290 464 Q HN 0.560 nan 8.270 nan 0.000 0.449 465 S N 2.471 118.232 115.700 0.102 0.000 2.593 465 S HA 0.228 4.698 4.470 -0.000 0.000 0.269 465 S C -0.205 174.439 174.600 0.074 0.000 1.334 465 S CA -0.547 57.704 58.200 0.085 0.000 1.015 465 S CB 1.363 64.596 63.200 0.055 0.000 0.912 465 S HN 0.659 nan 8.310 nan 0.000 0.541 466 E N 1.282 121.528 120.200 0.076 0.000 2.176 466 E HA 0.572 4.922 4.350 -0.000 0.000 0.267 466 E C -2.727 173.904 176.600 0.052 0.000 0.893 466 E CA -2.177 54.263 56.400 0.066 0.000 0.761 466 E CB 0.936 30.685 29.700 0.082 0.000 1.133 466 E HN 0.552 nan 8.360 nan 0.000 0.409 467 P HA 0.095 nan 4.420 nan 0.000 0.271 467 P C -0.750 176.568 177.300 0.030 0.000 1.216 467 P CA -0.263 62.855 63.100 0.030 0.000 0.776 467 P CB 0.560 32.274 31.700 0.023 0.000 0.881 468 E N 1.688 121.903 120.200 0.026 0.000 2.414 468 E HA 0.071 4.421 4.350 -0.000 0.000 0.263 468 E C -0.119 176.490 176.600 0.016 0.000 1.000 468 E CA -0.269 56.145 56.400 0.024 0.000 0.914 468 E CB 0.398 30.110 29.700 0.020 0.000 0.948 468 E HN 0.368 nan 8.360 nan 0.000 0.444 469 S N 2.833 118.539 115.700 0.011 0.000 2.546 469 S HA -0.051 4.419 4.470 -0.000 0.000 0.290 469 S C 1.123 175.725 174.600 0.005 0.000 1.290 469 S CA -0.049 58.155 58.200 0.006 0.000 1.069 469 S CB 0.800 63.998 63.200 -0.004 0.000 0.846 469 S HN 0.541 nan 8.310 nan 0.000 0.495 470 V N 2.053 121.971 119.914 0.007 0.000 2.951 470 V HA 0.075 4.195 4.120 -0.000 0.000 0.255 470 V C 1.468 177.565 176.094 0.005 0.000 1.088 470 V CA 1.393 63.697 62.300 0.006 0.000 1.109 470 V CB -0.517 31.311 31.823 0.008 0.000 0.724 470 V HN 0.832 nan 8.190 nan 0.000 0.471 471 D N 1.166 121.569 120.400 0.005 0.000 2.194 471 D HA 0.057 4.697 4.640 -0.000 0.000 0.204 471 D C 0.743 177.039 176.300 -0.007 0.000 0.964 471 D CA 1.325 55.327 54.000 0.004 0.000 0.846 471 D CB 0.667 41.474 40.800 0.012 0.000 0.962 471 D HN 0.522 nan 8.370 nan 0.000 0.490 472 V N 3.466 123.370 119.914 -0.017 0.000 2.384 472 V HA 0.198 4.318 4.120 -0.000 0.000 0.257 472 V C -2.394 173.683 176.094 -0.027 0.000 0.969 472 V CA -1.241 61.038 62.300 -0.034 0.000 0.910 472 V CB 1.267 33.051 31.823 -0.064 0.000 1.150 472 V HN -0.040 nan 8.190 nan 0.000 0.481 473 P HA 0.434 nan 4.420 nan 0.000 0.276 473 P C -0.404 176.890 177.300 -0.010 0.000 1.244 473 P CA -0.089 63.006 63.100 -0.008 0.000 0.801 473 P CB 1.675 33.373 31.700 -0.003 0.000 1.006 474 A N 2.688 125.507 122.820 -0.001 0.000 2.274 474 A HA 0.338 4.658 4.320 -0.000 0.000 0.309 474 A C 0.250 177.834 177.584 0.000 0.000 1.226 474 A CA -0.497 51.541 52.037 0.002 0.000 0.853 474 A CB 0.145 19.156 19.000 0.019 0.000 1.146 474 A HN 0.434 nan 8.150 nan 0.000 0.518 475 Q N 2.569 122.367 119.800 -0.004 0.000 2.293 475 Q HA 0.351 4.691 4.340 -0.000 0.000 0.251 475 Q C -2.252 173.745 176.000 -0.005 0.000 0.930 475 Q CA -1.770 54.030 55.803 -0.004 0.000 0.893 475 Q CB 0.729 29.464 28.738 -0.006 0.000 1.215 475 Q HN 0.574 nan 8.270 nan 0.000 0.425 476 P HA 0.178 nan 4.420 nan 0.000 0.272 476 P C -0.346 176.945 177.300 -0.015 0.000 1.230 476 P CA -0.353 62.740 63.100 -0.011 0.000 0.788 476 P CB 0.781 32.476 31.700 -0.010 0.000 0.949 477 I N 2.152 122.708 120.570 -0.023 0.000 2.337 477 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 477 I C 1.142 177.247 176.117 -0.021 0.000 1.046 477 I CA 0.140 61.423 61.300 -0.028 0.000 1.324 477 I CB 0.054 38.027 38.000 -0.044 0.000 1.409 477 I HN 0.393 nan 8.210 nan 0.000 0.494 478 T N 2.223 116.770 114.554 -0.011 0.000 2.918 478 T HA 0.772 5.122 4.350 -0.000 0.000 0.286 478 T C 0.122 174.824 174.700 0.003 0.000 1.026 478 T CA -0.700 61.399 62.100 -0.001 0.000 1.031 478 T CB 2.024 70.897 68.868 0.009 0.000 1.046 478 T HN 0.625 nan 8.240 nan 0.000 0.479 479 T N -1.033 113.523 114.554 0.003 0.000 2.924 479 T HA 0.726 5.076 4.350 -0.000 0.000 0.291 479 T C 0.342 175.059 174.700 0.028 0.000 1.045 479 T CA -0.787 61.315 62.100 0.003 0.000 1.015 479 T CB 1.382 70.232 68.868 -0.031 0.000 1.103 479 T HN 0.975 nan 8.240 nan 0.000 0.496 480 T N -0.634 113.944 114.554 0.041 0.000 2.881 480 T HA 0.431 4.781 4.350 -0.000 0.000 0.278 480 T C 0.823 175.591 174.700 0.114 0.000 0.982 480 T CA -0.875 61.279 62.100 0.091 0.000 0.989 480 T CB 0.707 69.634 68.868 0.099 0.000 1.058 480 T HN 0.517 nan 8.240 nan 0.000 0.529 481 F N 0.751 120.733 119.950 0.053 0.000 2.069 481 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 481 F C 1.979 177.857 175.800 0.130 0.000 1.113 481 F CA 1.438 59.508 58.000 0.118 0.000 1.214 481 F CB -0.497 38.571 39.000 0.113 0.000 0.978 481 F HN 0.482 nan 8.300 nan 0.000 0.474 482 L N -0.015 121.305 121.223 0.162 0.000 2.046 482 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 482 L C 2.406 179.268 176.870 -0.013 0.000 1.077 482 L CA 1.769 56.644 54.840 0.059 0.000 0.747 482 L CB -0.904 41.238 42.059 0.139 0.000 0.896 482 L HN 0.239 nan 8.230 nan 0.000 0.432 483 E N -0.005 120.196 120.200 0.001 0.000 2.058 483 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 483 E C 2.348 178.856 176.600 -0.153 0.000 0.997 483 E CA 1.261 57.635 56.400 -0.042 0.000 0.801 483 E CB -0.029 29.657 29.700 -0.023 0.000 0.746 483 E HN 0.398 nan 8.360 nan 0.000 0.450 484 R N -0.526 119.813 120.500 -0.270 0.000 2.092 484 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 484 R C 1.805 177.726 176.300 -0.632 0.000 1.119 484 R CA 1.127 56.923 56.100 -0.506 0.000 0.970 484 R CB 0.014 29.872 30.300 -0.737 0.000 0.864 484 R HN 0.310 nan 8.270 nan 0.000 0.440 485 H N -1.003 117.884 119.070 -0.305 0.000 3.046 485 H HA 0.207 4.763 4.556 -0.000 0.000 0.262 485 H C 0.329 175.539 175.328 -0.198 0.000 1.044 485 H CA -0.207 55.650 56.048 -0.318 0.000 1.209 485 H CB 0.460 29.872 29.762 -0.585 0.000 1.507 485 H HN 0.025 nan 8.280 nan 0.000 0.507 486 L N 4.557 125.744 121.223 -0.060 0.000 2.525 486 L HA 0.039 4.379 4.340 -0.000 0.000 0.278 486 L C -1.678 175.169 176.870 -0.037 0.000 1.218 486 L CA -1.301 53.531 54.840 -0.014 0.000 0.878 486 L CB 0.264 42.350 42.059 0.046 0.000 1.127 486 L HN -0.011 nan 8.230 nan 0.000 0.492 487 P HA 0.131 nan 4.420 nan 0.000 0.276 487 P C -0.595 176.653 177.300 -0.086 0.000 1.252 487 P CA -0.590 62.473 63.100 -0.061 0.000 0.802 487 P CB 1.050 32.713 31.700 -0.061 0.000 1.035 488 S N 0.013 115.641 115.700 -0.120 0.000 2.626 488 S HA 0.110 4.580 4.470 -0.000 0.000 0.257 488 S C 1.525 175.980 174.600 -0.241 0.000 1.288 488 S CA -0.552 57.549 58.200 -0.165 0.000 0.980 488 S CB -0.459 62.638 63.200 -0.172 0.000 0.975 488 S HN 0.219 nan 8.310 nan 0.000 0.577 489 V N 2.377 122.074 119.914 -0.362 0.000 2.261 489 V HA -0.064 4.056 4.120 -0.000 0.000 0.246 489 V C -0.493 175.181 176.094 -0.701 0.000 1.047 489 V CA 1.810 63.809 62.300 -0.503 0.000 1.015 489 V CB -1.998 29.503 31.823 -0.537 0.000 0.642 489 V HN 0.772 nan 8.190 nan 0.000 0.446 490 P HA -0.142 nan 4.420 nan 0.000 0.216 490 P C 1.747 178.841 177.300 -0.342 0.000 1.150 490 P CA 2.092 64.756 63.100 -0.727 0.000 0.837 490 P CB -0.320 31.066 31.700 -0.524 0.000 0.786 491 G N 0.405 109.046 108.800 -0.265 0.000 2.418 491 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 491 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 491 G C 1.542 176.361 174.900 -0.135 0.000 1.158 491 G CA 0.558 45.566 45.100 -0.155 0.000 0.771 491 G HN 0.237 nan 8.290 nan 0.000 0.545 492 L N 0.419 121.548 121.223 -0.157 0.000 2.046 492 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 492 L C 2.744 179.547 176.870 -0.112 0.000 1.077 492 L CA 1.278 56.049 54.840 -0.116 0.000 0.747 492 L CB -0.303 41.689 42.059 -0.111 0.000 0.896 492 L HN 0.210 nan 8.230 nan 0.000 0.432 493 L N -1.134 119.993 121.223 -0.160 0.000 1.994 493 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 493 L C 2.819 179.640 176.870 -0.081 0.000 1.071 493 L CA 1.038 55.804 54.840 -0.123 0.000 0.745 493 L CB -0.703 41.253 42.059 -0.171 0.000 0.892 493 L HN 0.212 nan 8.230 nan 0.000 0.431 494 R N -0.005 120.442 120.500 -0.089 0.000 2.103 494 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 494 R C 2.155 178.431 176.300 -0.041 0.000 1.142 494 R CA 1.332 57.400 56.100 -0.053 0.000 0.960 494 R CB -0.985 29.283 30.300 -0.053 0.000 0.858 494 R HN 0.244 nan 8.270 nan 0.000 0.439 495 L N 0.773 121.967 121.223 -0.048 0.000 2.275 495 L HA 0.004 4.344 4.340 -0.000 0.000 0.215 495 L C 1.215 178.068 176.870 -0.028 0.000 1.119 495 L CA 1.080 55.898 54.840 -0.035 0.000 0.790 495 L CB -0.141 41.896 42.059 -0.037 0.000 0.919 495 L HN 0.030 nan 8.230 nan 0.000 0.443 496 I N 0.000 120.551 120.570 -0.032 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.286 61.300 -0.023 0.000 1.566 496 I CB 0.000 37.985 38.000 -0.025 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494