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 2ij7_1_E DATA FIRST_RESID 6 DATA SEQUENCE LLEVPFSARG DRIPDAVAEL RTREPIRKVR TITGAEAWLV SSYALCTQVL DATA SEQUENCE EDRRFSMKET AAAGAPRLNA LTVPPEVVNN MGNIADAGLR KAVMKAITPK DATA SEQUENCE APGLEQFLRD TANSLLDNLI TEGAPADLRN DFADPLATAL HCKVLGIPQE DATA SEQUENCE DGPKLFRSLS IAFMSSADPI PAAKINWDRD IEYMAGILEN PNITTGLMGE DATA SEQUENCE LSRLRKDPAY SHVSDELFAT IGVTFFGAGV ISTGSFLTTA LISLIQRPQL DATA SEQUENCE RNLLHEKPEL IPAGVEELLR INLSFADGLP RLATADIQVG DVLVRKGELV DATA SEQUENCE LVLLEGANFD PEHFPNPGSI ELDRPNPTSH LAFGRGQHFC PGSALGRRHA DATA SEQUENCE QIGIEALLKK MPGVDLAVPI DQLVWRTRFQ RRIPERLPVL W 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.897 176.870 0.044 0.000 1.165 6 L CA 0.000 54.844 54.840 0.007 0.000 0.813 6 L CB 0.000 42.044 42.059 -0.024 0.000 0.961 7 L N 2.880 124.155 121.223 0.086 0.000 2.628 7 L HA -0.004 4.336 4.340 -0.000 0.000 0.274 7 L C 0.154 177.146 176.870 0.203 0.000 1.209 7 L CA 0.219 55.185 54.840 0.210 0.000 0.930 7 L CB 0.170 42.402 42.059 0.287 0.000 1.183 7 L HN 0.616 nan 8.230 nan 0.000 0.492 8 E N 2.339 122.655 120.200 0.193 0.000 2.229 8 E HA 0.292 4.642 4.350 -0.000 0.000 0.283 8 E C -0.601 175.854 176.600 -0.242 0.000 1.030 8 E CA -0.260 56.148 56.400 0.012 0.000 0.836 8 E CB 1.396 31.106 29.700 0.017 0.000 1.068 8 E HN 0.349 nan 8.360 nan 0.000 0.401 9 V N 1.740 121.416 119.914 -0.397 0.000 2.732 9 V HA 0.724 4.844 4.120 -0.000 0.000 0.310 9 V C -2.242 173.659 176.094 -0.323 0.000 1.053 9 V CA -2.333 59.580 62.300 -0.645 0.000 0.957 9 V CB 1.322 32.790 31.823 -0.593 0.000 1.018 9 V HN 0.552 nan 8.190 nan 0.000 0.452 10 P HA 0.365 nan 4.420 nan 0.000 0.277 10 P C 0.104 177.205 177.300 -0.331 0.000 1.240 10 P CA -0.195 62.691 63.100 -0.357 0.000 0.798 10 P CB 0.829 32.436 31.700 -0.154 0.000 0.979 11 F N -0.459 119.476 119.950 -0.025 0.000 2.367 11 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 11 F C 1.585 177.358 175.800 -0.046 0.000 1.094 11 F CA 0.621 58.601 58.000 -0.033 0.000 1.409 11 F CB 0.203 39.182 39.000 -0.036 0.000 1.064 11 F HN 0.264 nan 8.300 nan 0.000 0.528 12 S N -0.579 115.172 115.700 0.084 0.000 2.575 12 S HA 0.655 5.125 4.470 -0.000 0.000 0.278 12 S C 0.111 174.675 174.600 -0.060 0.000 1.139 12 S CA -0.410 57.787 58.200 -0.005 0.000 0.954 12 S CB 1.679 64.856 63.200 -0.039 0.000 1.054 12 S HN 0.106 nan 8.310 nan 0.000 0.483 13 A N 4.315 127.089 122.820 -0.077 0.000 2.251 13 A HA 0.328 4.648 4.320 -0.000 0.000 0.209 13 A C 0.906 178.319 177.584 -0.285 0.000 1.187 13 A CA -0.020 51.974 52.037 -0.073 0.000 0.823 13 A CB -0.087 18.936 19.000 0.038 0.000 0.846 13 A HN 0.764 nan 8.150 nan 0.000 0.486 14 R N -0.374 119.812 120.500 -0.524 0.000 2.347 14 R HA 0.301 4.641 4.340 -0.000 0.000 0.304 14 R C 0.988 176.695 176.300 -0.988 0.000 1.072 14 R CA 0.424 55.818 56.100 -1.176 0.000 0.980 14 R CB 0.750 30.573 30.300 -0.794 0.000 0.986 14 R HN 0.245 nan 8.270 nan 0.000 0.448 15 G N 1.646 109.498 108.800 -1.582 0.000 3.233 15 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.234 15 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.234 15 G C 0.519 175.284 174.900 -0.226 0.000 1.137 15 G CA -0.209 44.553 45.100 -0.563 0.000 0.763 15 G HN 0.686 nan 8.290 nan 0.000 0.549 16 D N -0.728 119.487 120.400 -0.308 0.000 2.388 16 D HA 0.091 4.731 4.640 -0.000 0.000 0.208 16 D C 0.963 177.252 176.300 -0.018 0.000 1.035 16 D CA -0.039 53.972 54.000 0.019 0.000 0.875 16 D CB 0.754 41.676 40.800 0.204 0.000 0.984 16 D HN 0.219 nan 8.370 nan 0.000 0.508 17 R N -0.046 120.389 120.500 -0.107 0.000 2.626 17 R HA 0.438 4.778 4.340 -0.000 0.000 0.274 17 R C -1.460 174.744 176.300 -0.160 0.000 1.031 17 R CA -0.764 55.281 56.100 -0.091 0.000 0.898 17 R CB 2.297 32.559 30.300 -0.064 0.000 1.222 17 R HN 0.029 nan 8.270 nan 0.000 0.455 18 I N 5.226 125.663 120.570 -0.222 0.000 2.496 18 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 18 I C -1.982 174.008 176.117 -0.211 0.000 1.080 18 I CA -1.927 59.183 61.300 -0.316 0.000 1.404 18 I CB 1.238 38.824 38.000 -0.690 0.000 1.403 18 I HN 0.497 nan 8.210 nan 0.000 0.539 19 P HA 0.096 nan 4.420 nan 0.000 0.268 19 P C -0.198 177.033 177.300 -0.115 0.000 1.205 19 P CA -0.138 62.892 63.100 -0.116 0.000 0.771 19 P CB 0.535 32.181 31.700 -0.090 0.000 0.858 20 D N 1.851 122.198 120.400 -0.088 0.000 2.221 20 D HA -0.165 4.475 4.640 -0.000 0.000 0.204 20 D C 1.867 178.123 176.300 -0.074 0.000 0.982 20 D CA 1.584 55.542 54.000 -0.071 0.000 0.857 20 D CB -0.457 40.313 40.800 -0.051 0.000 0.934 20 D HN 0.386 nan 8.370 nan 0.000 0.475 21 A N 0.249 123.013 122.820 -0.094 0.000 2.019 21 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 21 A C 2.432 179.953 177.584 -0.105 0.000 1.164 21 A CA 0.940 52.907 52.037 -0.116 0.000 0.644 21 A CB -0.523 18.369 19.000 -0.180 0.000 0.805 21 A HN 0.164 nan 8.150 nan 0.000 0.449 22 V N -0.189 119.673 119.914 -0.086 0.000 2.343 22 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 22 V C 3.041 179.124 176.094 -0.020 0.000 1.051 22 V CA 1.964 64.236 62.300 -0.047 0.000 1.036 22 V CB -1.250 30.539 31.823 -0.056 0.000 0.654 22 V HN 0.612 nan 8.190 nan 0.000 0.451 23 A N -0.372 122.435 122.820 -0.022 0.000 1.902 23 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 23 A C 2.159 179.745 177.584 0.003 0.000 1.181 23 A CA 1.849 53.892 52.037 0.010 0.000 0.623 23 A CB -0.460 18.550 19.000 0.016 0.000 0.818 23 A HN 0.638 nan 8.150 nan 0.000 0.443 24 E N -0.653 119.535 120.200 -0.020 0.000 2.038 24 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 24 E C 1.993 178.581 176.600 -0.019 0.000 1.000 24 E CA 1.395 57.781 56.400 -0.024 0.000 0.803 24 E CB -0.362 29.310 29.700 -0.047 0.000 0.750 24 E HN 0.529 nan 8.360 nan 0.000 0.448 25 L N 1.497 122.700 121.223 -0.032 0.000 2.012 25 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 25 L C 2.453 179.334 176.870 0.018 0.000 1.073 25 L CA 1.862 56.692 54.840 -0.017 0.000 0.748 25 L CB -0.330 41.711 42.059 -0.031 0.000 0.891 25 L HN -0.041 nan 8.230 nan 0.000 0.431 26 R N -1.254 119.264 120.500 0.030 0.000 2.081 26 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 26 R C 2.003 178.327 176.300 0.041 0.000 1.131 26 R CA 2.025 58.154 56.100 0.048 0.000 0.960 26 R CB -0.443 29.898 30.300 0.067 0.000 0.856 26 R HN 0.476 nan 8.270 nan 0.000 0.436 27 T N 0.292 114.865 114.554 0.032 0.000 2.777 27 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 27 T C 1.869 176.581 174.700 0.021 0.000 1.040 27 T CA 1.212 63.328 62.100 0.027 0.000 1.141 27 T CB -0.089 68.792 68.868 0.021 0.000 0.868 27 T HN 0.332 nan 8.240 nan 0.000 0.444 28 R N 0.617 121.127 120.500 0.016 0.000 2.066 28 R HA 0.163 4.503 4.340 -0.000 0.000 0.224 28 R C 0.734 177.047 176.300 0.022 0.000 1.122 28 R CA 0.841 56.949 56.100 0.015 0.000 0.974 28 R CB 0.286 30.590 30.300 0.007 0.000 0.871 28 R HN 0.315 nan 8.270 nan 0.000 0.435 29 E N -0.030 120.188 120.200 0.030 0.000 2.923 29 E HA 0.133 4.483 4.350 -0.000 0.000 0.266 29 E C -2.165 174.467 176.600 0.053 0.000 1.157 29 E CA -1.341 55.086 56.400 0.044 0.000 0.795 29 E CB 1.810 31.546 29.700 0.060 0.000 1.454 29 E HN 0.098 nan 8.360 nan 0.000 0.386 30 P HA -0.049 nan 4.420 nan 0.000 0.230 30 P C 0.400 177.725 177.300 0.042 0.000 1.158 30 P CA 0.708 63.833 63.100 0.042 0.000 0.769 30 P CB 0.781 32.499 31.700 0.030 0.000 0.807 31 I N -0.061 120.535 120.570 0.043 0.000 2.466 31 I HA 0.568 4.738 4.170 -0.000 0.000 0.289 31 I C -0.953 175.269 176.117 0.175 0.000 1.026 31 I CA -1.314 60.029 61.300 0.072 0.000 1.078 31 I CB 1.553 39.526 38.000 -0.045 0.000 1.249 31 I HN -0.260 nan 8.210 nan 0.000 0.429 32 R N 5.632 126.320 120.500 0.313 0.000 2.604 32 R HA 0.478 4.818 4.340 -0.000 0.000 0.270 32 R C -1.853 174.659 176.300 0.353 0.000 1.052 32 R CA -0.905 55.398 56.100 0.340 0.000 0.902 32 R CB 1.096 31.510 30.300 0.190 0.000 1.233 32 R HN 0.447 nan 8.270 nan 0.000 0.455 33 K N 2.654 123.185 120.400 0.219 0.000 2.322 33 K HA 0.489 4.809 4.320 -0.000 0.000 0.283 33 K C -0.652 175.900 176.600 -0.080 0.000 1.042 33 K CA 0.087 56.263 56.287 -0.186 0.000 0.958 33 K CB 0.807 33.114 32.500 -0.322 0.000 0.984 33 K HN 0.623 nan 8.250 nan 0.000 0.473 34 V N 0.916 120.747 119.914 -0.138 0.000 3.181 34 V HA 0.676 4.796 4.120 -0.000 0.000 0.308 34 V C -1.068 174.956 176.094 -0.116 0.000 1.214 34 V CA -1.210 61.056 62.300 -0.058 0.000 1.053 34 V CB 1.894 33.715 31.823 -0.004 0.000 1.069 34 V HN 0.795 nan 8.190 nan 0.000 0.441 35 R N 0.926 121.377 120.500 -0.083 0.000 2.494 35 R HA 0.688 5.028 4.340 -0.000 0.000 0.305 35 R C 0.065 176.304 176.300 -0.103 0.000 0.959 35 R CA 0.224 56.269 56.100 -0.092 0.000 0.864 35 R CB 1.892 32.154 30.300 -0.063 0.000 1.159 35 R HN 1.191 nan 8.270 nan 0.000 0.446 36 T N 0.849 115.343 114.554 -0.101 0.000 2.824 36 T HA 0.190 4.540 4.350 -0.000 0.000 0.277 36 T C 1.731 176.384 174.700 -0.079 0.000 0.975 36 T CA -0.682 61.358 62.100 -0.100 0.000 0.966 36 T CB 0.576 69.390 68.868 -0.090 0.000 1.054 36 T HN 0.673 nan 8.240 nan 0.000 0.533 37 I N -1.132 119.394 120.570 -0.074 0.000 2.756 37 I HA 0.017 4.187 4.170 -0.000 0.000 0.262 37 I C 2.117 178.205 176.117 -0.048 0.000 1.225 37 I CA 1.234 62.501 61.300 -0.056 0.000 1.472 37 I CB -1.087 36.884 38.000 -0.048 0.000 1.094 37 I HN 0.814 nan 8.210 nan 0.000 0.454 38 T N -2.105 112.417 114.554 -0.053 0.000 3.113 38 T HA 0.361 4.711 4.350 -0.000 0.000 0.256 38 T C 1.617 176.290 174.700 -0.045 0.000 1.131 38 T CA 0.498 62.569 62.100 -0.047 0.000 1.074 38 T CB 0.069 68.906 68.868 -0.050 0.000 0.944 38 T HN 0.731 nan 8.240 nan 0.000 0.516 39 G N 0.989 109.759 108.800 -0.050 0.000 2.175 39 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.244 39 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.244 39 G C 0.300 175.165 174.900 -0.058 0.000 0.982 39 G CA -0.100 44.971 45.100 -0.049 0.000 0.641 39 G HN 1.169 nan 8.290 nan 0.000 0.527 40 A N 0.010 122.791 122.820 -0.065 0.000 2.386 40 A HA 0.623 4.943 4.320 -0.000 0.000 0.248 40 A C 0.491 178.015 177.584 -0.101 0.000 1.082 40 A CA 0.222 52.215 52.037 -0.075 0.000 0.789 40 A CB 0.352 19.311 19.000 -0.068 0.000 1.025 40 A HN 0.499 nan 8.150 nan 0.000 0.490 41 E N -0.305 119.820 120.200 -0.126 0.000 2.319 41 E HA 0.555 4.905 4.350 -0.000 0.000 0.268 41 E C -0.140 176.326 176.600 -0.224 0.000 1.050 41 E CA -0.007 56.276 56.400 -0.194 0.000 0.878 41 E CB 1.451 31.010 29.700 -0.234 0.000 1.066 41 E HN 0.839 nan 8.360 nan 0.000 0.406 42 A N 1.999 124.636 122.820 -0.306 0.000 2.612 42 A HA 0.434 4.754 4.320 -0.000 0.000 0.293 42 A C -2.100 175.261 177.584 -0.373 0.000 1.075 42 A CA -0.818 51.059 52.037 -0.266 0.000 0.680 42 A CB 0.701 19.631 19.000 -0.116 0.000 1.279 42 A HN 0.611 nan 8.150 nan 0.000 0.411 43 W N 1.111 122.415 121.300 0.006 0.000 2.332 43 W HA 0.548 5.208 4.660 -0.000 0.000 0.306 43 W C -0.111 176.401 176.519 -0.012 0.000 1.149 43 W CA -0.207 57.141 57.345 0.004 0.000 1.271 43 W CB 1.399 30.863 29.460 0.006 0.000 1.243 43 W HN 0.563 nan 8.180 nan 0.000 0.459 44 L N 5.632 126.991 121.223 0.227 0.000 2.265 44 L HA 0.525 4.865 4.340 -0.000 0.000 0.288 44 L C -0.498 176.455 176.870 0.138 0.000 1.058 44 L CA -0.362 54.563 54.840 0.141 0.000 0.809 44 L CB 0.582 42.718 42.059 0.128 0.000 1.179 44 L HN 0.186 nan 8.230 nan 0.000 0.429 45 V N 4.445 124.401 119.914 0.070 0.000 2.398 45 V HA 0.495 4.615 4.120 -0.000 0.000 0.286 45 V C 0.501 176.611 176.094 0.027 0.000 1.026 45 V CA 0.257 62.572 62.300 0.025 0.000 0.868 45 V CB 1.281 33.072 31.823 -0.052 0.000 0.982 45 V HN 0.929 nan 8.190 nan 0.000 0.443 46 S N 0.811 116.535 115.700 0.040 0.000 2.960 46 S HA 0.198 4.668 4.470 -0.000 0.000 0.256 46 S C 0.371 175.016 174.600 0.074 0.000 1.017 46 S CA 0.093 58.330 58.200 0.062 0.000 1.144 46 S CB 0.334 63.584 63.200 0.084 0.000 1.109 46 S HN 0.828 nan 8.310 nan 0.000 0.638 47 S N 0.173 115.906 115.700 0.055 0.000 2.638 47 S HA 0.591 5.061 4.470 -0.000 0.000 0.298 47 S C 0.493 175.139 174.600 0.076 0.000 1.111 47 S CA -0.688 57.564 58.200 0.087 0.000 1.027 47 S CB 0.890 64.132 63.200 0.070 0.000 1.064 47 S HN 0.199 nan 8.310 nan 0.000 0.525 48 Y N 2.082 122.388 120.300 0.010 0.000 2.097 48 Y HA -0.138 4.412 4.550 -0.000 0.000 0.282 48 Y C 2.601 178.451 175.900 -0.084 0.000 1.152 48 Y CA 2.513 60.581 58.100 -0.053 0.000 1.136 48 Y CB -0.979 37.412 38.460 -0.115 0.000 0.975 48 Y HN 0.898 nan 8.280 nan 0.000 0.498 49 A N 0.207 123.103 122.820 0.125 0.000 1.892 49 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 49 A C 2.293 179.845 177.584 -0.053 0.000 1.188 49 A CA 2.187 54.253 52.037 0.049 0.000 0.631 49 A CB -1.154 17.882 19.000 0.060 0.000 0.822 49 A HN 0.558 nan 8.150 nan 0.000 0.447 50 L N -1.129 120.061 121.223 -0.055 0.000 2.095 50 L HA -0.159 4.181 4.340 -0.000 0.000 0.204 50 L C 2.765 179.546 176.870 -0.147 0.000 1.080 50 L CA 0.964 55.750 54.840 -0.089 0.000 0.759 50 L CB -0.845 41.173 42.059 -0.068 0.000 0.914 50 L HN 0.493 nan 8.230 nan 0.000 0.439 51 C N 0.188 119.394 119.300 -0.157 0.000 2.398 51 C HA -0.203 4.257 4.460 -0.000 0.000 0.276 51 C C 3.112 177.958 174.990 -0.241 0.000 1.222 51 C CA 1.746 60.645 59.018 -0.198 0.000 1.746 51 C CB -1.142 26.482 27.740 -0.193 0.000 2.039 51 C HN 0.666 nan 8.230 nan 0.000 0.470 52 T N -0.852 113.510 114.554 -0.320 0.000 2.821 52 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 52 T C 1.775 176.386 174.700 -0.149 0.000 1.046 52 T CA 1.669 63.599 62.100 -0.284 0.000 1.139 52 T CB -0.558 68.076 68.868 -0.390 0.000 0.871 52 T HN 0.707 nan 8.240 nan 0.000 0.454 53 Q N 0.676 120.402 119.800 -0.123 0.000 2.061 53 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 53 Q C 2.372 178.341 176.000 -0.051 0.000 0.984 53 Q CA 1.840 57.608 55.803 -0.058 0.000 0.846 53 Q CB -0.322 28.390 28.738 -0.043 0.000 0.902 53 Q HN 0.523 nan 8.270 nan 0.000 0.421 54 V N 1.109 120.903 119.914 -0.200 0.000 2.307 54 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 54 V C 2.366 178.406 176.094 -0.090 0.000 1.045 54 V CA 1.481 63.549 62.300 -0.387 0.000 1.024 54 V CB -0.488 30.962 31.823 -0.622 0.000 0.651 54 V HN 0.393 nan 8.190 nan 0.000 0.449 55 L N -0.359 120.817 121.223 -0.079 0.000 2.201 55 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 55 L C 2.371 179.269 176.870 0.047 0.000 1.105 55 L CA 1.396 56.236 54.840 0.001 0.000 0.775 55 L CB -0.499 41.543 42.059 -0.028 0.000 0.913 55 L HN 0.412 nan 8.230 nan 0.000 0.440 56 E N -0.906 119.311 120.200 0.029 0.000 2.435 56 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 56 E C 0.145 176.787 176.600 0.070 0.000 1.029 56 E CA 0.045 56.465 56.400 0.034 0.000 0.865 56 E CB 0.231 29.934 29.700 0.005 0.000 0.833 56 E HN 0.199 nan 8.360 nan 0.000 0.510 57 D N 0.525 121.011 120.400 0.144 0.000 2.427 57 D HA 0.113 4.753 4.640 -0.000 0.000 0.226 57 D C 0.574 176.983 176.300 0.181 0.000 1.076 57 D CA -0.260 53.843 54.000 0.171 0.000 0.849 57 D CB 0.589 41.558 40.800 0.282 0.000 1.052 57 D HN -0.122 nan 8.370 nan 0.000 0.515 58 R N 2.324 122.873 120.500 0.082 0.000 2.241 58 R HA -0.022 4.317 4.340 -0.000 0.000 0.224 58 R C 1.709 178.026 176.300 0.028 0.000 1.101 58 R CA 0.593 56.735 56.100 0.069 0.000 0.995 58 R CB 0.284 30.601 30.300 0.028 0.000 0.870 58 R HN 0.378 nan 8.270 nan 0.000 0.463 59 R N -0.120 120.341 120.500 -0.064 0.000 2.159 59 R HA -0.093 4.247 4.340 -0.000 0.000 0.237 59 R C 0.053 176.180 176.300 -0.289 0.000 1.131 59 R CA 0.782 56.764 56.100 -0.197 0.000 0.982 59 R CB -0.138 29.977 30.300 -0.309 0.000 0.868 59 R HN 0.022 nan 8.270 nan 0.000 0.453 60 F N 0.919 120.886 119.950 0.029 0.000 2.439 60 F HA 0.111 4.638 4.527 -0.000 0.000 0.356 60 F C 0.678 176.512 175.800 0.055 0.000 1.161 60 F CA -0.181 57.842 58.000 0.038 0.000 1.151 60 F CB 0.854 39.873 39.000 0.032 0.000 1.222 60 F HN -0.197 nan 8.300 nan 0.000 0.558 61 S N 4.641 120.447 115.700 0.176 0.000 2.508 61 S HA 0.314 4.784 4.470 -0.000 0.000 0.284 61 S C 1.050 175.718 174.600 0.113 0.000 1.192 61 S CA -0.761 57.522 58.200 0.138 0.000 1.070 61 S CB 0.905 64.154 63.200 0.081 0.000 1.004 61 S HN 0.838 nan 8.310 nan 0.000 0.493 62 M N 4.279 123.938 119.600 0.098 0.000 2.134 62 M HA 0.049 4.529 4.480 -0.000 0.000 0.262 62 M C 2.213 178.494 176.300 -0.031 0.000 1.076 62 M CA 1.248 56.514 55.300 -0.058 0.000 1.143 62 M CB -0.360 31.990 32.600 -0.417 0.000 1.346 62 M HN 0.736 nan 8.290 nan 0.000 0.421 63 K N 0.481 120.894 120.400 0.022 0.000 2.113 63 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 63 K C 1.368 177.975 176.600 0.011 0.000 1.047 63 K CA 1.517 57.816 56.287 0.021 0.000 0.928 63 K CB -0.193 32.341 32.500 0.058 0.000 0.716 63 K HN 0.414 nan 8.250 nan 0.000 0.446 64 E N 0.024 120.238 120.200 0.023 0.000 2.427 64 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 64 E C 1.727 178.332 176.600 0.008 0.000 1.028 64 E CA 1.098 57.508 56.400 0.016 0.000 0.864 64 E CB -0.192 29.522 29.700 0.024 0.000 0.813 64 E HN 0.540 nan 8.360 nan 0.000 0.514 65 T N -1.425 113.130 114.554 0.002 0.000 2.946 65 T HA -0.041 4.309 4.350 -0.000 0.000 0.271 65 T C 1.733 176.416 174.700 -0.028 0.000 1.104 65 T CA 1.132 63.225 62.100 -0.011 0.000 1.114 65 T CB -0.030 68.824 68.868 -0.023 0.000 0.867 65 T HN 0.106 nan 8.240 nan 0.000 0.513 66 A N 0.686 123.488 122.820 -0.031 0.000 2.308 66 A HA 0.768 5.088 4.320 -0.000 0.000 0.217 66 A C 1.367 178.933 177.584 -0.031 0.000 1.216 66 A CA 0.093 52.105 52.037 -0.042 0.000 0.864 66 A CB -0.563 18.406 19.000 -0.051 0.000 0.902 66 A HN 0.778 nan 8.150 nan 0.000 0.499 67 A N 0.403 123.212 122.820 -0.018 0.000 2.520 67 A HA 0.502 4.822 4.320 -0.000 0.000 0.235 67 A C 0.878 178.451 177.584 -0.018 0.000 1.065 67 A CA 0.276 52.305 52.037 -0.013 0.000 0.764 67 A CB -0.227 18.770 19.000 -0.005 0.000 1.002 67 A HN 1.390 nan 8.150 nan 0.000 0.502 68 A N 1.266 124.076 122.820 -0.016 0.000 2.477 68 A HA 0.502 4.822 4.320 -0.000 0.000 0.246 68 A C 1.616 179.190 177.584 -0.016 0.000 1.078 68 A CA 0.666 52.692 52.037 -0.019 0.000 0.770 68 A CB -0.646 18.344 19.000 -0.016 0.000 1.011 68 A HN 2.776 nan 8.150 nan 0.000 0.494 69 G N 0.443 109.232 108.800 -0.019 0.000 2.162 69 G HA2 0.131 4.091 3.960 -0.000 0.000 0.260 69 G HA3 0.131 4.091 3.960 -0.000 0.000 0.260 69 G C 0.580 175.471 174.900 -0.015 0.000 0.976 69 G CA 0.537 45.627 45.100 -0.017 0.000 0.655 69 G HN 2.159 nan 8.290 nan 0.000 0.533 70 A N 0.838 123.648 122.820 -0.016 0.000 2.371 70 A HA 0.679 4.999 4.320 -0.000 0.000 0.257 70 A C -1.181 176.391 177.584 -0.020 0.000 1.089 70 A CA -0.646 51.384 52.037 -0.012 0.000 0.794 70 A CB 0.286 19.280 19.000 -0.009 0.000 1.029 70 A HN 0.284 nan 8.150 nan 0.000 0.488 71 P HA 0.203 nan 4.420 nan 0.000 0.267 71 P C -0.724 176.557 177.300 -0.033 0.000 1.209 71 P CA 0.296 63.378 63.100 -0.030 0.000 0.763 71 P CB 0.446 32.126 31.700 -0.033 0.000 0.816 72 R N 2.156 122.631 120.500 -0.043 0.000 2.589 72 R HA 0.265 4.605 4.340 -0.000 0.000 0.293 72 R C 1.168 177.435 176.300 -0.056 0.000 0.963 72 R CA -0.974 55.097 56.100 -0.048 0.000 0.905 72 R CB 1.618 31.886 30.300 -0.053 0.000 1.144 72 R HN 0.306 nan 8.270 nan 0.000 0.459 73 L N 2.553 123.742 121.223 -0.056 0.000 2.017 73 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 73 L C 0.247 177.076 176.870 -0.069 0.000 1.073 73 L CA 1.848 56.650 54.840 -0.063 0.000 0.745 73 L CB -0.262 41.763 42.059 -0.057 0.000 0.894 73 L HN 0.806 nan 8.230 nan 0.000 0.432 74 N N -2.209 116.448 118.700 -0.072 0.000 2.934 74 N HA 0.467 5.207 4.740 -0.000 0.000 0.253 74 N C -1.033 174.428 175.510 -0.082 0.000 1.466 74 N CA -0.457 52.548 53.050 -0.075 0.000 0.858 74 N CB 1.112 39.550 38.487 -0.082 0.000 1.459 74 N HN 0.085 nan 8.380 nan 0.000 0.532 75 A N 0.795 123.566 122.820 -0.081 0.000 2.462 75 A HA 0.297 4.617 4.320 -0.000 0.000 0.243 75 A C 0.512 178.025 177.584 -0.117 0.000 1.076 75 A CA -0.374 51.611 52.037 -0.087 0.000 0.773 75 A CB -0.199 18.755 19.000 -0.076 0.000 1.010 75 A HN 0.561 nan 8.150 nan 0.000 0.493 76 L N 1.967 123.114 121.223 -0.126 0.000 2.525 76 L HA 0.068 4.408 4.340 -0.000 0.000 0.278 76 L C 1.599 178.352 176.870 -0.195 0.000 1.218 76 L CA 0.657 55.396 54.840 -0.169 0.000 0.878 76 L CB 0.630 42.589 42.059 -0.167 0.000 1.127 76 L HN 0.982 nan 8.230 nan 0.000 0.492 77 T N -0.736 113.666 114.554 -0.254 0.000 3.085 77 T HA 0.313 4.663 4.350 -0.000 0.000 0.264 77 T C 0.021 174.473 174.700 -0.414 0.000 1.019 77 T CA -0.151 61.784 62.100 -0.274 0.000 0.910 77 T CB -0.053 68.662 68.868 -0.255 0.000 1.059 77 T HN 0.355 nan 8.240 nan 0.000 0.542 78 V N -3.039 116.571 119.914 -0.506 0.000 3.102 78 V HA 0.788 4.908 4.120 -0.000 0.000 0.312 78 V C -3.222 172.520 176.094 -0.587 0.000 1.135 78 V CA -3.273 58.518 62.300 -0.849 0.000 1.022 78 V CB 1.318 32.631 31.823 -0.851 0.000 1.056 78 V HN -0.175 nan 8.190 nan 0.000 0.436 79 P HA 0.259 nan 4.420 nan 0.000 0.267 79 P C -2.253 174.928 177.300 -0.198 0.000 1.200 79 P CA -0.913 62.014 63.100 -0.288 0.000 0.772 79 P CB 0.034 31.636 31.700 -0.164 0.000 0.855 80 P HA -0.210 nan 4.420 nan 0.000 0.218 80 P C 1.298 178.558 177.300 -0.066 0.000 1.148 80 P CA 1.408 64.451 63.100 -0.095 0.000 0.822 80 P CB -0.258 31.403 31.700 -0.065 0.000 0.784 81 E N -0.171 120.004 120.200 -0.042 0.000 2.338 81 E HA -0.084 4.266 4.350 -0.000 0.000 0.197 81 E C 1.525 178.121 176.600 -0.006 0.000 1.007 81 E CA 1.130 57.525 56.400 -0.009 0.000 0.849 81 E CB -1.039 28.671 29.700 0.016 0.000 0.774 81 E HN 0.133 nan 8.360 nan 0.000 0.506 82 V N 0.741 120.633 119.914 -0.036 0.000 3.052 82 V HA -0.136 3.984 4.120 -0.000 0.000 0.254 82 V C 2.003 178.062 176.094 -0.059 0.000 1.100 82 V CA 0.954 63.239 62.300 -0.026 0.000 1.112 82 V CB 0.178 31.964 31.823 -0.061 0.000 0.738 82 V HN 0.199 nan 8.190 nan 0.000 0.469 83 V N -1.078 118.782 119.914 -0.090 0.000 0.535 83 V HA -0.346 3.774 4.120 -0.000 0.000 0.092 83 V C 0.327 176.343 176.094 -0.130 0.000 2.149 83 V CA 2.091 64.337 62.300 -0.091 0.000 3.532 83 V CB -1.554 30.232 31.823 -0.062 0.000 0.823 83 V HN 0.918 nan 8.190 nan 0.000 0.859 84 N N -1.262 117.355 118.700 -0.138 0.000 3.277 84 N HA 0.350 5.090 4.740 -0.000 0.000 0.278 84 N C -0.258 175.137 175.510 -0.192 0.000 1.544 84 N CA -0.189 52.756 53.050 -0.175 0.000 0.869 84 N CB 0.150 38.555 38.487 -0.136 0.000 1.584 84 N HN 0.086 nan 8.380 nan 0.000 0.564 85 N N -0.387 118.147 118.700 -0.277 0.000 2.512 85 N HA 0.040 4.780 4.740 -0.000 0.000 0.183 85 N C 0.544 176.022 175.510 -0.053 0.000 1.073 85 N CA 0.926 53.767 53.050 -0.349 0.000 0.911 85 N CB -0.151 37.684 38.487 -1.087 0.000 0.964 85 N HN 0.563 nan 8.380 nan 0.000 0.447 86 M N -0.228 119.363 119.600 -0.014 0.000 2.509 86 M HA 0.176 4.656 4.480 -0.000 0.000 0.250 86 M C 1.025 177.331 176.300 0.010 0.000 1.132 86 M CA 0.025 55.328 55.300 0.005 0.000 1.080 86 M CB 0.460 33.052 32.600 -0.014 0.000 1.408 86 M HN 0.018 nan 8.290 nan 0.000 0.484 87 G N 1.962 110.782 108.800 0.033 0.000 2.660 87 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.247 87 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.247 87 G C -0.903 174.036 174.900 0.066 0.000 1.328 87 G CA -0.514 44.638 45.100 0.087 0.000 0.884 87 G HN 0.502 nan 8.290 nan 0.000 0.531 88 N N -0.364 118.392 118.700 0.092 0.000 2.655 88 N HA 0.357 5.097 4.740 -0.000 0.000 0.277 88 N C -0.980 174.578 175.510 0.080 0.000 1.177 88 N CA -0.624 52.474 53.050 0.081 0.000 0.882 88 N CB 0.844 39.358 38.487 0.045 0.000 1.481 88 N HN 0.613 nan 8.380 nan 0.000 0.547 89 I N 3.381 124.007 120.570 0.093 0.000 2.291 89 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 89 I C 1.532 177.680 176.117 0.052 0.000 1.050 89 I CA -0.302 61.021 61.300 0.038 0.000 1.245 89 I CB 1.462 39.473 38.000 0.019 0.000 1.405 89 I HN 0.572 nan 8.210 nan 0.000 0.478 90 A N 4.864 127.710 122.820 0.043 0.000 1.873 90 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 90 A C 1.206 178.842 177.584 0.087 0.000 1.186 90 A CA 0.993 53.072 52.037 0.070 0.000 0.616 90 A CB -0.174 18.872 19.000 0.077 0.000 0.823 90 A HN 0.738 nan 8.150 nan 0.000 0.442 91 D N 0.031 120.488 120.400 0.094 0.000 2.371 91 D HA 0.357 4.997 4.640 -0.000 0.000 0.256 91 D C 1.365 177.733 176.300 0.113 0.000 1.193 91 D CA 0.482 54.577 54.000 0.157 0.000 0.881 91 D CB 1.296 42.242 40.800 0.244 0.000 1.143 91 D HN 0.207 nan 8.370 nan 0.000 0.473 92 A N 4.212 127.101 122.820 0.116 0.000 1.884 92 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 92 A C 2.032 179.677 177.584 0.103 0.000 1.197 92 A CA 2.144 54.234 52.037 0.090 0.000 0.637 92 A CB -0.960 18.084 19.000 0.074 0.000 0.827 92 A HN 0.688 nan 8.150 nan 0.000 0.450 93 G N -0.855 108.045 108.800 0.166 0.000 2.403 93 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.216 93 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.216 93 G C 1.453 176.457 174.900 0.173 0.000 1.154 93 G CA 1.056 46.278 45.100 0.203 0.000 0.784 93 G HN 0.485 nan 8.290 nan 0.000 0.538 94 L N 0.665 121.934 121.223 0.078 0.000 2.079 94 L HA 0.063 4.403 4.340 -0.000 0.000 0.210 94 L C 2.700 179.478 176.870 -0.154 0.000 1.081 94 L CA 1.819 56.474 54.840 -0.308 0.000 0.752 94 L CB -0.613 41.091 42.059 -0.592 0.000 0.896 94 L HN 0.175 nan 8.230 nan 0.000 0.433 95 R N -0.699 119.771 120.500 -0.049 0.000 2.083 95 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 95 R C 2.243 178.561 176.300 0.029 0.000 1.137 95 R CA 1.531 57.637 56.100 0.009 0.000 0.951 95 R CB -0.062 30.269 30.300 0.052 0.000 0.851 95 R HN 0.292 nan 8.270 nan 0.000 0.434 96 K N -0.320 120.103 120.400 0.038 0.000 2.097 96 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 96 K C 1.978 178.595 176.600 0.029 0.000 1.050 96 K CA 1.268 57.582 56.287 0.046 0.000 0.938 96 K CB -0.209 32.324 32.500 0.056 0.000 0.718 96 K HN 0.200 nan 8.250 nan 0.000 0.442 97 A N 1.165 123.993 122.820 0.013 0.000 1.930 97 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 97 A C 2.473 180.032 177.584 -0.043 0.000 1.175 97 A CA 1.278 53.316 52.037 0.001 0.000 0.627 97 A CB -0.518 18.489 19.000 0.012 0.000 0.815 97 A HN 0.053 nan 8.150 nan 0.000 0.443 98 V N -0.147 119.709 119.914 -0.096 0.000 2.307 98 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 98 V C 2.578 178.617 176.094 -0.091 0.000 1.045 98 V CA 1.984 64.176 62.300 -0.179 0.000 1.024 98 V CB -0.642 30.972 31.823 -0.348 0.000 0.651 98 V HN 0.665 nan 8.190 nan 0.000 0.449 99 M N 0.972 120.580 119.600 0.012 0.000 2.108 99 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 99 M C 2.285 178.619 176.300 0.057 0.000 1.066 99 M CA 2.598 57.953 55.300 0.092 0.000 1.107 99 M CB -0.550 32.115 32.600 0.109 0.000 1.356 99 M HN 0.471 nan 8.290 nan 0.000 0.406 100 K N 0.776 121.194 120.400 0.031 0.000 2.097 100 K HA 0.007 4.327 4.320 -0.000 0.000 0.205 100 K C 1.606 178.213 176.600 0.012 0.000 1.050 100 K CA 1.899 58.201 56.287 0.024 0.000 0.938 100 K CB -0.918 31.596 32.500 0.022 0.000 0.718 100 K HN 0.282 nan 8.250 nan 0.000 0.442 101 A N 1.112 123.928 122.820 -0.007 0.000 2.216 101 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 101 A C 1.671 179.251 177.584 -0.008 0.000 1.160 101 A CA 1.126 53.151 52.037 -0.019 0.000 0.725 101 A CB -0.867 18.103 19.000 -0.051 0.000 0.784 101 A HN 0.614 nan 8.150 nan 0.000 0.472 102 I N -2.772 117.809 120.570 0.018 0.000 3.833 102 I HA 0.219 4.389 4.170 -0.000 0.000 0.328 102 I C 0.266 176.404 176.117 0.035 0.000 1.554 102 I CA -0.190 61.134 61.300 0.040 0.000 1.116 102 I CB 0.004 38.071 38.000 0.112 0.000 1.182 102 I HN 0.038 nan 8.210 nan 0.000 0.459 103 T N -0.317 114.252 114.554 0.025 0.000 2.851 103 T HA 0.325 4.675 4.350 -0.000 0.000 0.298 103 T C -1.142 173.566 174.700 0.015 0.000 0.977 103 T CA -1.326 60.787 62.100 0.021 0.000 1.126 103 T CB 0.749 69.629 68.868 0.021 0.000 0.916 103 T HN 0.154 nan 8.240 nan 0.000 0.529 104 P HA -0.010 nan 4.420 nan 0.000 0.239 104 P C 0.966 178.281 177.300 0.024 0.000 1.184 104 P CA 0.333 63.446 63.100 0.021 0.000 0.760 104 P CB 0.060 31.780 31.700 0.033 0.000 0.884 105 K N 0.689 121.102 120.400 0.021 0.000 2.280 105 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 105 K C 1.026 177.637 176.600 0.017 0.000 1.047 105 K CA 0.666 56.966 56.287 0.020 0.000 0.942 105 K CB -1.342 31.169 32.500 0.018 0.000 0.739 105 K HN 0.014 nan 8.250 nan 0.000 0.457 106 A N 3.168 125.996 122.820 0.012 0.000 2.598 106 A HA 0.099 4.419 4.320 -0.000 0.000 0.239 106 A C -1.900 175.691 177.584 0.012 0.000 1.032 106 A CA -0.770 51.270 52.037 0.006 0.000 0.760 106 A CB -0.688 18.308 19.000 -0.006 0.000 0.946 106 A HN 0.396 nan 8.150 nan 0.000 0.512 107 P HA 0.266 nan 4.420 nan 0.000 0.266 107 P C 0.798 178.113 177.300 0.024 0.000 1.215 107 P CA 1.287 64.398 63.100 0.018 0.000 0.763 107 P CB 0.602 32.311 31.700 0.014 0.000 0.806 108 G N 2.669 111.494 108.800 0.040 0.000 2.179 108 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 108 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 108 G C 0.548 175.510 174.900 0.103 0.000 0.990 108 G CA -0.041 45.097 45.100 0.064 0.000 0.646 108 G HN 0.484 nan 8.290 nan 0.000 0.517 109 L N 1.276 122.549 121.223 0.084 0.000 2.068 109 L HA 0.209 4.549 4.340 -0.000 0.000 0.204 109 L C 2.560 179.525 176.870 0.158 0.000 1.076 109 L CA 2.863 57.772 54.840 0.114 0.000 0.753 109 L CB -0.837 41.257 42.059 0.059 0.000 0.910 109 L HN 0.603 nan 8.230 nan 0.000 0.439 110 E N -0.631 119.631 120.200 0.103 0.000 2.085 110 E HA -0.336 4.014 4.350 -0.000 0.000 0.194 110 E C 2.068 178.716 176.600 0.079 0.000 0.994 110 E CA 1.746 58.197 56.400 0.084 0.000 0.801 110 E CB 0.059 29.795 29.700 0.059 0.000 0.743 110 E HN 0.378 nan 8.360 nan 0.000 0.453 111 Q N -0.090 119.762 119.800 0.087 0.000 2.079 111 Q HA -0.146 4.193 4.340 -0.000 0.000 0.200 111 Q C 1.832 177.878 176.000 0.076 0.000 0.974 111 Q CA 1.704 57.548 55.803 0.068 0.000 0.840 111 Q CB -0.537 28.242 28.738 0.068 0.000 0.898 111 Q HN 0.460 nan 8.270 nan 0.000 0.430 112 F N -0.187 119.770 119.950 0.012 0.000 2.126 112 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 112 F C 1.593 177.399 175.800 0.011 0.000 1.096 112 F CA 1.315 59.322 58.000 0.012 0.000 1.255 112 F CB -0.129 38.878 39.000 0.013 0.000 0.997 112 F HN 0.110 nan 8.300 nan 0.000 0.479 113 L N 0.014 121.270 121.223 0.055 0.000 2.046 113 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 113 L C 2.682 179.483 176.870 -0.115 0.000 1.077 113 L CA 1.537 56.354 54.840 -0.040 0.000 0.747 113 L CB -0.527 41.570 42.059 0.063 0.000 0.896 113 L HN 0.083 nan 8.230 nan 0.000 0.432 114 R N -0.350 120.112 120.500 -0.064 0.000 2.075 114 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 114 R C 1.907 178.154 176.300 -0.088 0.000 1.126 114 R CA 1.487 57.555 56.100 -0.053 0.000 0.963 114 R CB -0.397 29.890 30.300 -0.022 0.000 0.858 114 R HN 0.351 nan 8.270 nan 0.000 0.435 115 D N -0.158 120.165 120.400 -0.129 0.000 2.117 115 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 115 D C 1.817 178.001 176.300 -0.194 0.000 0.987 115 D CA 1.494 55.409 54.000 -0.142 0.000 0.829 115 D CB -0.349 40.367 40.800 -0.139 0.000 0.961 115 D HN 0.168 nan 8.370 nan 0.000 0.460 116 T N 0.770 115.123 114.554 -0.336 0.000 2.701 116 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 116 T C 2.073 176.684 174.700 -0.150 0.000 1.040 116 T CA 1.512 63.420 62.100 -0.320 0.000 1.147 116 T CB -0.389 68.164 68.868 -0.525 0.000 0.865 116 T HN 0.187 nan 8.240 nan 0.000 0.426 117 A N 2.660 125.413 122.820 -0.113 0.000 1.892 117 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 117 A C 2.275 179.924 177.584 0.108 0.000 1.188 117 A CA 1.776 53.851 52.037 0.063 0.000 0.631 117 A CB -0.779 18.262 19.000 0.068 0.000 0.822 117 A HN 0.399 nan 8.150 nan 0.000 0.447 118 N N 0.143 118.844 118.700 0.001 0.000 2.120 118 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 118 N C 2.004 177.494 175.510 -0.033 0.000 1.024 118 N CA 1.639 54.673 53.050 -0.026 0.000 0.852 118 N CB -0.450 38.012 38.487 -0.041 0.000 1.003 118 N HN 0.474 nan 8.380 nan 0.000 0.424 119 S N 1.230 116.907 115.700 -0.039 0.000 2.368 119 S HA 0.030 4.500 4.470 -0.000 0.000 0.224 119 S C 2.182 176.774 174.600 -0.015 0.000 1.029 119 S CA 0.535 58.714 58.200 -0.034 0.000 0.988 119 S CB -0.207 62.965 63.200 -0.046 0.000 0.838 119 S HN 0.238 nan 8.310 nan 0.000 0.462 120 L N 0.992 122.227 121.223 0.019 0.000 2.042 120 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 120 L C 2.237 179.125 176.870 0.030 0.000 1.076 120 L CA 1.151 56.032 54.840 0.069 0.000 0.749 120 L CB -0.588 41.584 42.059 0.189 0.000 0.893 120 L HN 0.288 nan 8.230 nan 0.000 0.432 121 L N -0.767 120.441 121.223 -0.024 0.000 2.056 121 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 121 L C 2.237 179.000 176.870 -0.180 0.000 1.078 121 L CA 0.924 55.637 54.840 -0.211 0.000 0.749 121 L CB -0.633 41.247 42.059 -0.297 0.000 0.901 121 L HN 0.251 nan 8.230 nan 0.000 0.433 122 D N 0.126 120.463 120.400 -0.104 0.000 2.149 122 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 122 D C 1.890 178.164 176.300 -0.044 0.000 0.990 122 D CA 1.132 55.090 54.000 -0.071 0.000 0.839 122 D CB -0.312 40.461 40.800 -0.045 0.000 0.948 122 D HN 0.316 nan 8.370 nan 0.000 0.460 123 N N 0.273 118.952 118.700 -0.034 0.000 2.270 123 N HA -0.030 4.710 4.740 -0.000 0.000 0.181 123 N C 2.071 177.580 175.510 -0.002 0.000 1.016 123 N CA 0.229 53.273 53.050 -0.011 0.000 0.870 123 N CB -0.348 38.137 38.487 -0.004 0.000 0.979 123 N HN 0.254 nan 8.380 nan 0.000 0.431 124 L N 0.382 121.583 121.223 -0.036 0.000 2.083 124 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 124 L C 2.051 178.963 176.870 0.070 0.000 1.083 124 L CA 0.909 55.738 54.840 -0.020 0.000 0.752 124 L CB -0.310 41.655 42.059 -0.156 0.000 0.899 124 L HN 0.094 nan 8.230 nan 0.000 0.433 125 I N -0.720 119.844 120.570 -0.010 0.000 2.286 125 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 125 I C 2.483 178.694 176.117 0.157 0.000 1.104 125 I CA 1.266 62.645 61.300 0.132 0.000 1.397 125 I CB -0.274 37.718 38.000 -0.014 0.000 1.072 125 I HN 0.224 nan 8.210 nan 0.000 0.417 126 T N 0.142 114.739 114.554 0.073 0.000 2.746 126 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 126 T C 1.739 176.477 174.700 0.063 0.000 1.039 126 T CA 1.164 63.297 62.100 0.056 0.000 1.142 126 T CB -0.166 68.719 68.868 0.028 0.000 0.866 126 T HN 0.258 nan 8.240 nan 0.000 0.444 127 E N 0.568 120.811 120.200 0.071 0.000 2.274 127 E HA 0.175 4.525 4.350 -0.000 0.000 0.194 127 E C 1.330 177.975 176.600 0.076 0.000 0.996 127 E CA 0.496 56.934 56.400 0.063 0.000 0.840 127 E CB -0.573 29.161 29.700 0.058 0.000 0.772 127 E HN 0.596 nan 8.360 nan 0.000 0.491 128 G N 0.637 109.521 108.800 0.139 0.000 2.758 128 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.686 128 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.686 128 G C -0.056 174.871 174.900 0.044 0.000 1.389 128 G CA -0.413 44.744 45.100 0.095 0.000 0.845 128 G HN 0.422 nan 8.290 nan 0.000 0.572 129 A N 1.977 124.611 122.820 -0.310 0.000 2.425 129 A HA 0.734 5.054 4.320 -0.000 0.000 0.242 129 A C -0.613 176.859 177.584 -0.186 0.000 1.077 129 A CA 0.054 51.829 52.037 -0.436 0.000 0.781 129 A CB -0.170 18.264 19.000 -0.943 0.000 1.020 129 A HN 1.080 nan 8.150 nan 0.000 0.494 130 P HA 0.529 nan 4.420 nan 0.000 0.277 130 P C -0.755 176.604 177.300 0.098 0.000 1.240 130 P CA -0.136 62.950 63.100 -0.023 0.000 0.798 130 P CB 1.343 33.029 31.700 -0.024 0.000 0.979 131 A N 1.130 124.075 122.820 0.209 0.000 2.350 131 A HA 0.428 4.748 4.320 -0.000 0.000 0.324 131 A C -0.642 176.997 177.584 0.091 0.000 1.118 131 A CA -0.501 51.643 52.037 0.178 0.000 0.783 131 A CB 0.829 19.964 19.000 0.225 0.000 1.236 131 A HN 0.517 nan 8.150 nan 0.000 0.457 132 D N 2.684 123.115 120.400 0.052 0.000 2.428 132 D HA 0.288 4.928 4.640 -0.000 0.000 0.221 132 D C 0.670 176.995 176.300 0.040 0.000 1.123 132 D CA -0.212 53.804 54.000 0.027 0.000 0.869 132 D CB 0.473 41.279 40.800 0.010 0.000 1.032 132 D HN 0.412 nan 8.370 nan 0.000 0.506 133 L N 3.170 124.418 121.223 0.043 0.000 2.376 133 L HA 0.012 4.351 4.340 -0.000 0.000 0.219 133 L C 2.320 179.267 176.870 0.129 0.000 1.133 133 L CA 0.350 55.249 54.840 0.098 0.000 0.816 133 L CB -0.059 42.039 42.059 0.064 0.000 0.933 133 L HN 0.385 nan 8.230 nan 0.000 0.449 134 R N 0.439 120.971 120.500 0.053 0.000 2.046 134 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 134 R C 2.000 178.308 176.300 0.013 0.000 1.179 134 R CA 1.088 57.206 56.100 0.029 0.000 0.952 134 R CB 0.004 30.302 30.300 -0.004 0.000 0.843 134 R HN 0.284 nan 8.270 nan 0.000 0.439 135 N N 0.628 119.331 118.700 0.004 0.000 2.309 135 N HA -0.106 4.634 4.740 -0.000 0.000 0.182 135 N C 0.147 175.639 175.510 -0.029 0.000 1.018 135 N CA 1.081 54.120 53.050 -0.017 0.000 0.876 135 N CB 0.087 38.571 38.487 -0.006 0.000 0.972 135 N HN 0.338 nan 8.380 nan 0.000 0.434 136 D N -1.480 118.930 120.400 0.017 0.000 2.431 136 D HA 0.149 4.789 4.640 -0.000 0.000 0.213 136 D C 0.537 176.909 176.300 0.120 0.000 1.130 136 D CA -0.094 53.927 54.000 0.035 0.000 0.834 136 D CB 0.498 41.319 40.800 0.034 0.000 0.985 136 D HN 0.195 nan 8.370 nan 0.000 0.504 137 F N 0.282 120.188 119.950 -0.073 0.000 1.832 137 F HA 0.274 4.801 4.527 -0.000 0.000 0.236 137 F C 1.882 177.650 175.800 -0.054 0.000 1.180 137 F CA 0.316 58.269 58.000 -0.077 0.000 1.297 137 F CB -0.120 38.824 39.000 -0.092 0.000 1.748 137 F HN -0.145 nan 8.300 nan 0.000 0.453 138 A N 0.473 123.174 122.820 -0.198 0.000 1.877 138 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 138 A C 1.666 179.174 177.584 -0.126 0.000 1.186 138 A CA 2.373 54.262 52.037 -0.247 0.000 0.620 138 A CB -1.018 17.961 19.000 -0.035 0.000 0.822 138 A HN 0.537 nan 8.150 nan 0.000 0.443 139 D N -0.596 119.744 120.400 -0.099 0.000 2.084 139 D HA -0.066 4.574 4.640 -0.000 0.000 0.196 139 D C -0.454 175.703 176.300 -0.238 0.000 0.985 139 D CA 1.548 55.469 54.000 -0.132 0.000 0.826 139 D CB -1.450 39.260 40.800 -0.150 0.000 0.978 139 D HN 0.307 nan 8.370 nan 0.000 0.456 140 P HA -0.112 nan 4.420 nan 0.000 0.218 140 P C 1.804 179.033 177.300 -0.119 0.000 1.148 140 P CA 0.696 63.677 63.100 -0.199 0.000 0.822 140 P CB 0.032 31.642 31.700 -0.150 0.000 0.784 141 L N -0.098 121.028 121.223 -0.162 0.000 2.056 141 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 141 L C 2.380 179.324 176.870 0.123 0.000 1.078 141 L CA 1.966 56.743 54.840 -0.105 0.000 0.749 141 L CB -1.514 40.320 42.059 -0.375 0.000 0.901 141 L HN -0.107 nan 8.230 nan 0.000 0.433 142 A N -1.514 121.403 122.820 0.161 0.000 1.902 142 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 142 A C 2.257 179.915 177.584 0.125 0.000 1.181 142 A CA 2.312 54.394 52.037 0.075 0.000 0.623 142 A CB -1.214 17.715 19.000 -0.118 0.000 0.818 142 A HN 0.509 nan 8.150 nan 0.000 0.443 143 T N 0.355 114.928 114.554 0.031 0.000 2.674 143 T HA -0.025 4.325 4.350 -0.000 0.000 0.265 143 T C 2.272 177.094 174.700 0.202 0.000 1.039 143 T CA 1.701 63.851 62.100 0.084 0.000 1.150 143 T CB -0.560 68.324 68.868 0.027 0.000 0.864 143 T HN 0.610 nan 8.240 nan 0.000 0.427 144 A N 1.530 124.457 122.820 0.179 0.000 1.892 144 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 144 A C 2.272 180.085 177.584 0.382 0.000 1.188 144 A CA 1.655 53.866 52.037 0.289 0.000 0.631 144 A CB -0.985 18.159 19.000 0.239 0.000 0.822 144 A HN 0.409 nan 8.150 nan 0.000 0.447 145 L N -0.747 120.681 121.223 0.341 0.000 2.012 145 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 145 L C 2.219 179.074 176.870 -0.026 0.000 1.073 145 L CA 2.689 57.656 54.840 0.211 0.000 0.748 145 L CB -0.889 41.257 42.059 0.145 0.000 0.891 145 L HN 0.547 nan 8.230 nan 0.000 0.431 146 H N -2.186 116.920 119.070 0.061 0.000 2.462 146 H HA -0.038 4.518 4.556 -0.000 0.000 0.292 146 H C 2.319 177.786 175.328 0.230 0.000 1.049 146 H CA 1.406 57.489 56.048 0.058 0.000 1.334 146 H CB -0.504 29.133 29.762 -0.210 0.000 1.404 146 H HN 0.403 nan 8.280 nan 0.000 0.544 147 C N 0.427 119.937 119.300 0.351 0.000 2.429 147 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 147 C C 2.634 177.674 174.990 0.082 0.000 1.262 147 C CA 1.130 60.306 59.018 0.263 0.000 1.733 147 C CB -0.364 27.513 27.740 0.228 0.000 2.010 147 C HN 0.451 nan 8.230 nan 0.000 0.483 148 K N 1.147 121.511 120.400 -0.059 0.000 2.057 148 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 148 K C 1.797 178.313 176.600 -0.140 0.000 1.050 148 K CA 1.322 57.463 56.287 -0.243 0.000 0.935 148 K CB -0.587 31.520 32.500 -0.655 0.000 0.715 148 K HN 0.292 nan 8.250 nan 0.000 0.439 149 V N 0.744 120.598 119.914 -0.100 0.000 2.343 149 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 149 V C 2.098 178.203 176.094 0.019 0.000 1.051 149 V CA 1.567 63.832 62.300 -0.058 0.000 1.036 149 V CB -0.400 31.360 31.823 -0.105 0.000 0.654 149 V HN 0.207 nan 8.190 nan 0.000 0.451 150 L N 0.322 121.600 121.223 0.092 0.000 2.291 150 L HA 0.216 4.556 4.340 -0.000 0.000 0.214 150 L C 1.760 178.660 176.870 0.048 0.000 1.120 150 L CA 1.679 56.586 54.840 0.111 0.000 0.799 150 L CB -0.778 41.409 42.059 0.212 0.000 0.925 150 L HN 0.531 nan 8.230 nan 0.000 0.446 151 G N 0.139 108.952 108.800 0.022 0.000 2.171 151 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.238 151 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.238 151 G C 0.279 175.187 174.900 0.012 0.000 1.039 151 G CA 0.409 45.507 45.100 -0.004 0.000 0.759 151 G HN 0.447 nan 8.290 nan 0.000 0.501 152 I N -2.949 117.651 120.570 0.051 0.000 2.750 152 I HA 0.818 4.988 4.170 -0.000 0.000 0.308 152 I C -2.273 173.893 176.117 0.082 0.000 1.016 152 I CA -3.399 57.947 61.300 0.077 0.000 1.098 152 I CB 1.578 39.669 38.000 0.152 0.000 1.279 152 I HN -0.147 nan 8.210 nan 0.000 0.454 153 P HA 0.051 nan 4.420 nan 0.000 0.266 153 P C 0.038 177.393 177.300 0.092 0.000 1.195 153 P CA -0.130 63.017 63.100 0.078 0.000 0.768 153 P CB 0.494 32.241 31.700 0.078 0.000 0.838 154 Q N 2.099 121.954 119.800 0.092 0.000 2.170 154 Q HA -0.180 4.160 4.340 -0.000 0.000 0.203 154 Q C 1.526 177.580 176.000 0.090 0.000 0.976 154 Q CA 1.486 57.358 55.803 0.115 0.000 0.858 154 Q CB -0.213 28.606 28.738 0.135 0.000 0.907 154 Q HN 0.598 nan 8.270 nan 0.000 0.433 155 E N 0.721 120.963 120.200 0.069 0.000 2.268 155 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 155 E C 0.829 177.446 176.600 0.029 0.000 0.995 155 E CA 0.840 57.269 56.400 0.048 0.000 0.836 155 E CB -0.195 29.530 29.700 0.042 0.000 0.763 155 E HN 0.319 nan 8.360 nan 0.000 0.491 156 D N 0.864 121.280 120.400 0.027 0.000 2.323 156 D HA 0.016 4.656 4.640 -0.000 0.000 0.209 156 D C 1.915 178.151 176.300 -0.106 0.000 0.973 156 D CA 1.040 55.003 54.000 -0.062 0.000 0.874 156 D CB -0.382 40.403 40.800 -0.025 0.000 0.930 156 D HN 0.350 nan 8.370 nan 0.000 0.521 157 G N 1.981 110.795 108.800 0.024 0.000 2.459 157 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 157 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 157 G C -0.637 174.357 174.900 0.157 0.000 1.183 157 G CA 0.466 45.649 45.100 0.138 0.000 0.776 157 G HN 0.282 nan 8.290 nan 0.000 0.552 158 P HA -0.147 nan 4.420 nan 0.000 0.216 158 P C 1.897 179.287 177.300 0.150 0.000 1.157 158 P CA 2.140 65.317 63.100 0.128 0.000 0.880 158 P CB -0.097 31.638 31.700 0.059 0.000 0.791 159 K N -0.202 120.216 120.400 0.031 0.000 2.057 159 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 159 K C 2.052 178.625 176.600 -0.046 0.000 1.050 159 K CA 1.345 57.621 56.287 -0.017 0.000 0.935 159 K CB -1.237 31.207 32.500 -0.094 0.000 0.715 159 K HN 0.136 nan 8.250 nan 0.000 0.439 160 L N 0.391 121.528 121.223 -0.144 0.000 2.042 160 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 160 L C 2.656 179.604 176.870 0.131 0.000 1.076 160 L CA 1.357 56.086 54.840 -0.184 0.000 0.749 160 L CB -0.548 41.099 42.059 -0.686 0.000 0.893 160 L HN 0.129 nan 8.230 nan 0.000 0.432 161 F N 0.841 120.892 119.950 0.168 0.000 2.202 161 F HA -0.253 4.274 4.527 -0.000 0.000 0.301 161 F C 2.715 178.591 175.800 0.126 0.000 1.082 161 F CA 1.505 59.633 58.000 0.213 0.000 1.313 161 F CB -0.215 38.880 39.000 0.158 0.000 1.024 161 F HN -0.116 nan 8.300 nan 0.000 0.495 162 R N -0.281 120.274 120.500 0.093 0.000 2.152 162 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 162 R C 2.255 178.525 176.300 -0.050 0.000 1.117 162 R CA 1.439 57.547 56.100 0.013 0.000 0.981 162 R CB -0.357 29.980 30.300 0.061 0.000 0.870 162 R HN 0.241 nan 8.270 nan 0.000 0.451 163 S N 0.617 116.307 115.700 -0.017 0.000 2.419 163 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 163 S C 1.681 176.306 174.600 0.042 0.000 1.016 163 S CA 0.843 59.060 58.200 0.028 0.000 0.974 163 S CB -0.070 63.175 63.200 0.076 0.000 0.786 163 S HN 0.317 nan 8.310 nan 0.000 0.492 164 L N 1.696 122.892 121.223 -0.045 0.000 2.141 164 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 164 L C 2.634 179.614 176.870 0.183 0.000 1.094 164 L CA 1.294 56.169 54.840 0.059 0.000 0.763 164 L CB -0.863 41.085 42.059 -0.185 0.000 0.908 164 L HN 0.426 nan 8.230 nan 0.000 0.437 165 S N -0.334 115.374 115.700 0.014 0.000 2.469 165 S HA -0.083 4.387 4.470 -0.000 0.000 0.238 165 S C 1.709 176.441 174.600 0.220 0.000 0.998 165 S CA 0.832 59.067 58.200 0.058 0.000 0.957 165 S CB -0.298 62.834 63.200 -0.113 0.000 0.764 165 S HN 0.433 nan 8.310 nan 0.000 0.514 166 I N 0.830 121.503 120.570 0.172 0.000 2.947 166 I HA 0.211 4.381 4.170 -0.000 0.000 0.263 166 I C 2.900 179.087 176.117 0.117 0.000 1.130 166 I CA 0.592 61.975 61.300 0.138 0.000 1.448 166 I CB -0.546 37.495 38.000 0.069 0.000 1.222 166 I HN 0.346 nan 8.210 nan 0.000 0.453 167 A N 1.018 123.905 122.820 0.111 0.000 1.940 167 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 167 A C 1.646 179.082 177.584 -0.247 0.000 1.176 167 A CA 1.719 53.739 52.037 -0.029 0.000 0.631 167 A CB -0.821 18.212 19.000 0.056 0.000 0.814 167 A HN 0.415 nan 8.150 nan 0.000 0.446 168 F N -0.464 119.422 119.950 -0.108 0.000 2.660 168 F HA 0.356 4.883 4.527 -0.000 0.000 0.297 168 F C 0.813 176.222 175.800 -0.652 0.000 1.132 168 F CA -0.210 57.521 58.000 -0.448 0.000 1.372 168 F CB -0.336 38.268 39.000 -0.660 0.000 1.003 168 F HN 0.057 nan 8.300 nan 0.000 0.524 169 M N -0.236 119.319 119.600 -0.075 0.000 2.245 169 M HA 0.036 4.516 4.480 -0.000 0.000 0.330 169 M C 0.688 176.932 176.300 -0.092 0.000 1.098 169 M CA 0.426 55.755 55.300 0.047 0.000 1.172 169 M CB 0.678 33.344 32.600 0.110 0.000 1.467 169 M HN -0.107 nan 8.290 nan 0.000 0.454 170 S N 1.670 117.351 115.700 -0.031 0.000 2.406 170 S HA 0.371 4.840 4.470 -0.000 0.000 0.224 170 S C -0.793 173.793 174.600 -0.025 0.000 1.426 170 S CA -0.505 57.661 58.200 -0.057 0.000 1.179 170 S CB 0.456 63.623 63.200 -0.056 0.000 1.042 170 S HN 0.673 nan 8.310 nan 0.000 0.479 171 S N 2.863 118.540 115.700 -0.039 0.000 2.568 171 S HA 0.752 5.221 4.470 -0.000 0.000 0.302 171 S C 1.075 175.652 174.600 -0.038 0.000 1.082 171 S CA -0.168 58.016 58.200 -0.026 0.000 1.009 171 S CB 1.495 64.680 63.200 -0.024 0.000 1.069 171 S HN 0.757 nan 8.310 nan 0.000 0.500 172 A N 2.488 125.290 122.820 -0.030 0.000 2.016 172 A HA 0.228 4.547 4.320 -0.000 0.000 0.217 172 A C 0.425 177.988 177.584 -0.036 0.000 1.162 172 A CA 0.835 52.851 52.037 -0.034 0.000 0.662 172 A CB -0.261 18.723 19.000 -0.027 0.000 0.812 172 A HN 0.808 nan 8.150 nan 0.000 0.450 173 D N -1.342 119.039 120.400 -0.033 0.000 2.477 173 D HA 0.483 5.123 4.640 -0.000 0.000 0.234 173 D C -2.960 173.316 176.300 -0.040 0.000 1.048 173 D CA -1.552 52.428 54.000 -0.033 0.000 0.959 173 D CB 0.940 41.725 40.800 -0.024 0.000 1.408 173 D HN -0.121 nan 8.370 nan 0.000 0.496 174 P HA 0.264 nan 4.420 nan 0.000 0.272 174 P C -0.489 176.789 177.300 -0.037 0.000 1.223 174 P CA -0.032 63.039 63.100 -0.048 0.000 0.784 174 P CB 0.641 32.314 31.700 -0.045 0.000 0.923 175 I N 3.137 123.682 120.570 -0.041 0.000 2.420 175 I HA 0.225 4.395 4.170 -0.000 0.000 0.282 175 I C -1.632 174.474 176.117 -0.018 0.000 1.019 175 I CA -2.105 59.180 61.300 -0.025 0.000 1.130 175 I CB 1.902 39.888 38.000 -0.023 0.000 1.262 175 I HN 0.213 nan 8.210 nan 0.000 0.454 176 P HA -0.234 nan 4.420 nan 0.000 0.215 176 P C 1.660 178.968 177.300 0.013 0.000 1.157 176 P CA 1.362 64.463 63.100 0.001 0.000 0.874 176 P CB 0.303 32.005 31.700 0.004 0.000 0.790 177 A N -0.108 122.722 122.820 0.016 0.000 1.948 177 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 177 A C 2.328 179.936 177.584 0.039 0.000 1.177 177 A CA 2.324 54.377 52.037 0.026 0.000 0.636 177 A CB -1.590 17.425 19.000 0.024 0.000 0.815 177 A HN 0.235 nan 8.150 nan 0.000 0.449 178 A N -0.425 122.411 122.820 0.027 0.000 1.930 178 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 178 A C 2.122 179.750 177.584 0.074 0.000 1.175 178 A CA 1.930 53.987 52.037 0.034 0.000 0.627 178 A CB -0.376 18.609 19.000 -0.025 0.000 0.815 178 A HN 0.595 nan 8.150 nan 0.000 0.443 179 K N -0.252 120.178 120.400 0.049 0.000 2.103 179 K HA 0.015 4.335 4.320 -0.000 0.000 0.204 179 K C 1.759 178.446 176.600 0.145 0.000 1.052 179 K CA 1.063 57.404 56.287 0.091 0.000 0.945 179 K CB -0.283 32.237 32.500 0.034 0.000 0.722 179 K HN 0.462 nan 8.250 nan 0.000 0.443 180 I N 1.767 122.393 120.570 0.093 0.000 2.127 180 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 180 I C 1.963 178.136 176.117 0.094 0.000 1.075 180 I CA 1.201 62.549 61.300 0.080 0.000 1.334 180 I CB -0.424 37.606 38.000 0.050 0.000 1.040 180 I HN 0.270 nan 8.210 nan 0.000 0.405 181 N N 0.175 118.938 118.700 0.104 0.000 2.142 181 N HA -0.223 4.517 4.740 -0.000 0.000 0.186 181 N C 1.541 177.130 175.510 0.131 0.000 1.023 181 N CA 1.176 54.284 53.050 0.097 0.000 0.852 181 N CB -0.423 38.121 38.487 0.094 0.000 0.998 181 N HN 0.544 nan 8.380 nan 0.000 0.424 182 W N 2.396 123.697 121.300 0.001 0.000 2.355 182 W HA -0.181 4.479 4.660 -0.000 0.000 0.309 182 W C 0.844 177.373 176.519 0.017 0.000 1.206 182 W CA 1.269 58.618 57.345 0.006 0.000 1.284 182 W CB -0.138 29.317 29.460 -0.007 0.000 1.145 182 W HN 0.047 nan 8.180 nan 0.000 0.502 183 D N -0.024 120.466 120.400 0.150 0.000 2.117 183 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 183 D C 2.098 178.377 176.300 -0.036 0.000 0.987 183 D CA 1.762 55.787 54.000 0.043 0.000 0.829 183 D CB -0.437 40.426 40.800 0.105 0.000 0.961 183 D HN 0.165 nan 8.370 nan 0.000 0.460 184 R N 0.776 121.271 120.500 -0.008 0.000 2.075 184 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 184 R C 1.435 177.709 176.300 -0.043 0.000 1.126 184 R CA 1.450 57.541 56.100 -0.015 0.000 0.963 184 R CB -0.025 30.274 30.300 -0.001 0.000 0.858 184 R HN -0.023 nan 8.270 nan 0.000 0.435 185 D N 0.318 120.661 120.400 -0.096 0.000 2.117 185 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 185 D C 1.869 178.078 176.300 -0.153 0.000 0.982 185 D CA 0.995 54.922 54.000 -0.122 0.000 0.828 185 D CB -0.082 40.626 40.800 -0.153 0.000 0.967 185 D HN 0.213 nan 8.370 nan 0.000 0.464 186 I N 1.257 121.619 120.570 -0.347 0.000 2.208 186 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 186 I C 2.401 178.428 176.117 -0.151 0.000 1.097 186 I CA 1.105 62.199 61.300 -0.345 0.000 1.363 186 I CB -0.821 36.889 38.000 -0.484 0.000 1.051 186 I HN 0.156 nan 8.210 nan 0.000 0.413 187 E N 0.478 120.621 120.200 -0.096 0.000 2.077 187 E HA -0.300 4.050 4.350 -0.000 0.000 0.193 187 E C 2.417 179.000 176.600 -0.027 0.000 0.989 187 E CA 1.403 57.776 56.400 -0.045 0.000 0.800 187 E CB -0.360 29.330 29.700 -0.017 0.000 0.746 187 E HN 0.474 nan 8.360 nan 0.000 0.452 188 Y N 0.702 120.939 120.300 -0.106 0.000 2.128 188 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 188 Y C 2.160 178.002 175.900 -0.096 0.000 1.154 188 Y CA 2.053 60.095 58.100 -0.097 0.000 1.149 188 Y CB -0.154 38.239 38.460 -0.112 0.000 0.976 188 Y HN 0.091 nan 8.280 nan 0.000 0.505 189 M N 0.099 119.606 119.600 -0.156 0.000 2.159 189 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 189 M C 2.463 178.645 176.300 -0.197 0.000 1.063 189 M CA 1.550 56.726 55.300 -0.207 0.000 1.110 189 M CB -1.761 30.796 32.600 -0.072 0.000 1.374 189 M HN 0.513 nan 8.290 nan 0.000 0.411 190 A N 0.114 122.847 122.820 -0.145 0.000 1.902 190 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 190 A C 2.425 179.928 177.584 -0.136 0.000 1.181 190 A CA 1.922 53.894 52.037 -0.108 0.000 0.623 190 A CB -1.346 17.609 19.000 -0.076 0.000 0.818 190 A HN 0.507 nan 8.150 nan 0.000 0.443 191 G N -0.286 108.409 108.800 -0.175 0.000 2.403 191 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 191 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 191 G C 1.399 176.162 174.900 -0.228 0.000 1.154 191 G CA 0.944 45.936 45.100 -0.179 0.000 0.784 191 G HN 0.352 nan 8.290 nan 0.000 0.538 192 I N 0.782 121.143 120.570 -0.348 0.000 2.226 192 I HA -0.066 4.104 4.170 -0.000 0.000 0.245 192 I C 2.801 178.808 176.117 -0.183 0.000 1.100 192 I CA 0.884 62.001 61.300 -0.306 0.000 1.374 192 I CB -0.897 36.860 38.000 -0.405 0.000 1.057 192 I HN 0.162 nan 8.210 nan 0.000 0.413 193 L N 0.277 121.405 121.223 -0.158 0.000 2.083 193 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 193 L C 2.277 179.078 176.870 -0.114 0.000 1.083 193 L CA 1.313 56.082 54.840 -0.118 0.000 0.752 193 L CB -0.468 41.530 42.059 -0.102 0.000 0.899 193 L HN 0.271 nan 8.230 nan 0.000 0.433 194 E N -0.537 119.596 120.200 -0.112 0.000 2.427 194 E HA -0.100 4.249 4.350 -0.000 0.000 0.196 194 E C 0.520 177.069 176.600 -0.085 0.000 1.028 194 E CA -0.163 56.181 56.400 -0.094 0.000 0.864 194 E CB -0.023 29.626 29.700 -0.084 0.000 0.813 194 E HN 0.260 nan 8.360 nan 0.000 0.514 195 N N 1.887 120.531 118.700 -0.093 0.000 2.399 195 N HA -0.005 4.735 4.740 -0.000 0.000 0.259 195 N C -1.655 173.815 175.510 -0.066 0.000 1.160 195 N CA -1.595 51.409 53.050 -0.077 0.000 0.946 195 N CB 1.013 39.448 38.487 -0.086 0.000 1.156 195 N HN -0.063 nan 8.380 nan 0.000 0.489 196 P HA -0.058 nan 4.420 nan 0.000 0.230 196 P C -0.153 177.122 177.300 -0.041 0.000 1.158 196 P CA 1.067 64.139 63.100 -0.048 0.000 0.769 196 P CB 0.325 32.000 31.700 -0.041 0.000 0.807 197 N N -0.464 118.212 118.700 -0.039 0.000 2.280 197 N HA 0.090 4.830 4.740 -0.000 0.000 0.192 197 N C 0.232 175.722 175.510 -0.033 0.000 1.109 197 N CA -0.297 52.734 53.050 -0.031 0.000 0.855 197 N CB 0.166 38.638 38.487 -0.026 0.000 0.974 197 N HN 0.045 nan 8.380 nan 0.000 0.482 198 I N 2.220 122.764 120.570 -0.042 0.000 2.311 198 I HA 0.023 4.193 4.170 -0.000 0.000 0.297 198 I C 1.096 177.189 176.117 -0.040 0.000 1.131 198 I CA 0.604 61.879 61.300 -0.042 0.000 1.289 198 I CB -0.260 37.705 38.000 -0.057 0.000 1.446 198 I HN 0.139 nan 8.210 nan 0.000 0.524 199 T N -0.147 114.388 114.554 -0.032 0.000 3.003 199 T HA 0.111 4.461 4.350 -0.000 0.000 0.261 199 T C 0.780 175.465 174.700 -0.025 0.000 1.003 199 T CA -0.137 61.946 62.100 -0.029 0.000 0.917 199 T CB 0.228 69.081 68.868 -0.024 0.000 1.084 199 T HN 0.528 nan 8.240 nan 0.000 0.522 200 T N -1.407 113.131 114.554 -0.026 0.000 2.927 200 T HA 0.711 5.061 4.350 -0.000 0.000 0.286 200 T C 0.834 175.519 174.700 -0.026 0.000 1.040 200 T CA -0.147 61.937 62.100 -0.026 0.000 1.010 200 T CB 1.214 70.064 68.868 -0.030 0.000 1.177 200 T HN 1.085 nan 8.240 nan 0.000 0.546 201 G N 0.270 109.053 108.800 -0.027 0.000 2.697 201 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.240 201 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.240 201 G C 0.429 175.318 174.900 -0.019 0.000 1.346 201 G CA 0.155 45.241 45.100 -0.023 0.000 0.887 201 G HN 1.437 nan 8.290 nan 0.000 0.569 202 L N -0.571 120.645 121.223 -0.012 0.000 2.046 202 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 202 L C 2.973 179.825 176.870 -0.030 0.000 1.077 202 L CA 3.072 57.892 54.840 -0.034 0.000 0.747 202 L CB -0.531 41.507 42.059 -0.036 0.000 0.896 202 L HN 0.636 nan 8.230 nan 0.000 0.432 203 M N -0.347 119.247 119.600 -0.010 0.000 2.117 203 M HA -0.039 4.441 4.480 -0.000 0.000 0.262 203 M C 2.340 178.623 176.300 -0.028 0.000 1.065 203 M CA 1.539 56.829 55.300 -0.016 0.000 1.114 203 M CB -2.330 30.259 32.600 -0.019 0.000 1.361 203 M HN 0.399 nan 8.290 nan 0.000 0.408 204 G N -0.285 108.498 108.800 -0.029 0.000 2.440 204 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 204 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 204 G C 1.554 176.437 174.900 -0.028 0.000 1.154 204 G CA 1.378 46.459 45.100 -0.032 0.000 0.767 204 G HN 0.463 nan 8.290 nan 0.000 0.552 205 E N 0.462 120.650 120.200 -0.021 0.000 2.072 205 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 205 E C 2.537 179.137 176.600 0.000 0.000 0.985 205 E CA 0.700 57.093 56.400 -0.013 0.000 0.801 205 E CB -0.467 29.222 29.700 -0.019 0.000 0.750 205 E HN 0.443 nan 8.360 nan 0.000 0.452 206 L N -0.010 121.218 121.223 0.009 0.000 2.083 206 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 206 L C 2.631 179.477 176.870 -0.040 0.000 1.083 206 L CA 1.364 56.252 54.840 0.080 0.000 0.752 206 L CB -0.613 41.530 42.059 0.140 0.000 0.899 206 L HN 0.179 nan 8.230 nan 0.000 0.433 207 S N 0.301 115.958 115.700 -0.071 0.000 2.370 207 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 207 S C 2.180 176.706 174.600 -0.122 0.000 1.033 207 S CA 1.724 59.849 58.200 -0.124 0.000 1.011 207 S CB -0.131 63.016 63.200 -0.089 0.000 0.852 207 S HN 0.503 nan 8.310 nan 0.000 0.457 208 R N -0.100 120.361 120.500 -0.066 0.000 2.090 208 R HA 0.065 4.405 4.340 -0.000 0.000 0.228 208 R C 2.094 178.382 176.300 -0.021 0.000 1.110 208 R CA 1.073 57.148 56.100 -0.042 0.000 0.973 208 R CB -0.813 29.478 30.300 -0.015 0.000 0.869 208 R HN 0.354 nan 8.270 nan 0.000 0.440 209 L N 2.001 123.232 121.223 0.014 0.000 2.127 209 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 209 L C 2.565 179.486 176.870 0.086 0.000 1.089 209 L CA 1.682 56.595 54.840 0.122 0.000 0.757 209 L CB -0.928 41.234 42.059 0.171 0.000 0.899 209 L HN 0.212 nan 8.230 nan 0.000 0.434 210 R N -0.390 119.958 120.500 -0.254 0.000 2.241 210 R HA -0.157 4.183 4.340 -0.000 0.000 0.224 210 R C 1.621 177.806 176.300 -0.191 0.000 1.101 210 R CA 1.241 57.031 56.100 -0.517 0.000 0.995 210 R CB -0.091 29.740 30.300 -0.781 0.000 0.870 210 R HN 0.060 nan 8.270 nan 0.000 0.463 211 K N 0.167 120.514 120.400 -0.087 0.000 2.374 211 K HA 0.129 4.449 4.320 -0.000 0.000 0.196 211 K C -0.505 176.096 176.600 0.001 0.000 1.023 211 K CA 0.060 56.321 56.287 -0.043 0.000 1.103 211 K CB 0.184 32.658 32.500 -0.044 0.000 0.848 211 K HN 0.116 nan 8.250 nan 0.000 0.528 212 D N 0.821 121.253 120.400 0.053 0.000 2.351 212 D HA 0.027 4.666 4.640 -0.000 0.000 0.251 212 D C -1.571 174.727 176.300 -0.005 0.000 1.137 212 D CA -1.919 52.105 54.000 0.039 0.000 0.879 212 D CB 1.390 42.256 40.800 0.111 0.000 1.181 212 D HN -0.042 nan 8.370 nan 0.000 0.448 213 P HA -0.068 nan 4.420 nan 0.000 0.223 213 P C 0.931 178.174 177.300 -0.094 0.000 1.151 213 P CA 0.510 63.584 63.100 -0.042 0.000 0.787 213 P CB 0.141 31.821 31.700 -0.034 0.000 0.788 214 A N -0.722 121.945 122.820 -0.254 0.000 2.076 214 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 214 A C 1.152 178.447 177.584 -0.482 0.000 1.160 214 A CA 1.166 52.928 52.037 -0.458 0.000 0.653 214 A CB -1.456 17.086 19.000 -0.762 0.000 0.801 214 A HN 0.319 nan 8.150 nan 0.000 0.455 215 Y N -0.586 119.762 120.300 0.080 0.000 2.716 215 Y HA 0.149 4.699 4.550 -0.000 0.000 0.260 215 Y C 1.998 177.857 175.900 -0.068 0.000 1.141 215 Y CA 0.039 58.106 58.100 -0.055 0.000 1.168 215 Y CB 0.008 38.501 38.460 0.056 0.000 1.189 215 Y HN 0.343 nan 8.280 nan 0.000 0.549 216 S N -0.350 115.409 115.700 0.098 0.000 2.420 216 S HA -0.294 4.176 4.470 -0.000 0.000 0.237 216 S C 1.685 176.349 174.600 0.107 0.000 1.023 216 S CA 1.848 60.105 58.200 0.094 0.000 0.991 216 S CB -0.737 62.516 63.200 0.088 0.000 0.792 216 S HN 0.725 nan 8.310 nan 0.000 0.488 217 H N 0.535 119.674 119.070 0.116 0.000 2.547 217 H HA 0.287 4.843 4.556 -0.000 0.000 0.272 217 H C 0.296 175.698 175.328 0.123 0.000 0.989 217 H CA 0.319 56.427 56.048 0.100 0.000 1.214 217 H CB -0.730 29.080 29.762 0.080 0.000 1.389 217 H HN 0.310 nan 8.280 nan 0.000 0.577 218 V N 3.067 122.855 119.914 -0.209 0.000 2.509 218 V HA 0.121 4.241 4.120 -0.000 0.000 0.284 218 V C 0.721 176.881 176.094 0.110 0.000 1.047 218 V CA -0.368 61.881 62.300 -0.085 0.000 0.952 218 V CB 1.507 33.233 31.823 -0.162 0.000 0.988 218 V HN 0.561 nan 8.190 nan 0.000 0.469 219 S N 2.157 117.917 115.700 0.101 0.000 2.592 219 S HA 0.149 4.619 4.470 -0.000 0.000 0.271 219 S C 0.681 175.426 174.600 0.242 0.000 1.326 219 S CA -0.519 57.761 58.200 0.133 0.000 1.024 219 S CB 1.019 64.274 63.200 0.092 0.000 0.921 219 S HN 0.680 nan 8.310 nan 0.000 0.527 220 D N 1.163 121.673 120.400 0.184 0.000 2.149 220 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 220 D C 1.692 178.105 176.300 0.189 0.000 0.990 220 D CA 1.688 55.795 54.000 0.178 0.000 0.839 220 D CB -0.291 40.538 40.800 0.048 0.000 0.948 220 D HN 0.903 nan 8.370 nan 0.000 0.460 221 E N -0.076 120.198 120.200 0.123 0.000 2.110 221 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 221 E C 2.119 178.775 176.600 0.093 0.000 0.988 221 E CA 0.390 56.844 56.400 0.091 0.000 0.804 221 E CB -0.109 29.640 29.700 0.082 0.000 0.745 221 E HN 0.172 nan 8.360 nan 0.000 0.458 222 L N 0.027 121.299 121.223 0.081 0.000 2.083 222 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 222 L C 1.930 178.737 176.870 -0.105 0.000 1.083 222 L CA 1.533 56.357 54.840 -0.027 0.000 0.752 222 L CB -0.367 41.608 42.059 -0.139 0.000 0.899 222 L HN 0.131 nan 8.230 nan 0.000 0.433 223 F N -0.176 119.751 119.950 -0.037 0.000 2.134 223 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 223 F C 2.540 178.307 175.800 -0.055 0.000 1.097 223 F CA 1.427 59.390 58.000 -0.062 0.000 1.264 223 F CB -1.065 37.890 39.000 -0.074 0.000 1.001 223 F HN 0.191 nan 8.300 nan 0.000 0.479 224 A N -0.429 122.466 122.820 0.124 0.000 1.902 224 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 224 A C 2.224 179.792 177.584 -0.027 0.000 1.181 224 A CA 2.321 54.367 52.037 0.014 0.000 0.623 224 A CB -1.373 17.608 19.000 -0.033 0.000 0.818 224 A HN 0.351 nan 8.150 nan 0.000 0.443 225 T N 0.441 114.993 114.554 -0.002 0.000 2.759 225 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 225 T C 1.742 176.514 174.700 0.119 0.000 1.042 225 T CA 1.637 63.769 62.100 0.053 0.000 1.140 225 T CB -0.467 68.505 68.868 0.174 0.000 0.864 225 T HN 0.455 nan 8.240 nan 0.000 0.455 226 I N 0.946 121.560 120.570 0.073 0.000 2.286 226 I HA -0.099 4.071 4.170 -0.000 0.000 0.248 226 I C 2.846 179.063 176.117 0.168 0.000 1.115 226 I CA 1.241 62.602 61.300 0.102 0.000 1.392 226 I CB -0.637 37.295 38.000 -0.113 0.000 1.065 226 I HN 0.308 nan 8.210 nan 0.000 0.418 227 G N 0.407 109.265 108.800 0.097 0.000 2.404 227 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 227 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 227 G C 1.712 176.737 174.900 0.209 0.000 1.174 227 G CA 0.715 45.895 45.100 0.134 0.000 0.780 227 G HN 0.216 nan 8.290 nan 0.000 0.537 228 V N 1.805 121.786 119.914 0.112 0.000 2.295 228 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 228 V C 3.359 179.623 176.094 0.284 0.000 1.049 228 V CA 2.565 64.924 62.300 0.097 0.000 1.024 228 V CB -0.982 30.713 31.823 -0.213 0.000 0.648 228 V HN 0.664 nan 8.190 nan 0.000 0.447 229 T N -2.488 112.264 114.554 0.329 0.000 2.851 229 T HA -0.109 4.240 4.350 -0.000 0.000 0.262 229 T C 1.823 176.717 174.700 0.323 0.000 1.043 229 T CA 1.113 63.426 62.100 0.355 0.000 1.140 229 T CB -0.541 68.522 68.868 0.325 0.000 0.872 229 T HN 0.263 nan 8.240 nan 0.000 0.446 230 F N 0.886 120.954 119.950 0.198 0.000 2.134 230 F HA 0.138 4.665 4.527 -0.000 0.000 0.299 230 F C 2.061 177.982 175.800 0.202 0.000 1.097 230 F CA 0.417 58.525 58.000 0.180 0.000 1.264 230 F CB -0.861 38.233 39.000 0.157 0.000 1.001 230 F HN 0.142 nan 8.300 nan 0.000 0.479 231 F N 0.596 120.712 119.950 0.277 0.000 2.069 231 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 231 F C 2.455 178.269 175.800 0.023 0.000 1.113 231 F CA 1.940 60.042 58.000 0.170 0.000 1.214 231 F CB -1.019 38.082 39.000 0.169 0.000 0.978 231 F HN -0.048 nan 8.300 nan 0.000 0.474 232 G N -0.337 108.659 108.800 0.327 0.000 2.459 232 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 232 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 232 G C 1.815 176.641 174.900 -0.123 0.000 1.183 232 G CA 1.080 46.305 45.100 0.209 0.000 0.776 232 G HN 0.650 nan 8.290 nan 0.000 0.552 233 A N 0.821 123.673 122.820 0.052 0.000 1.883 233 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 233 A C 2.724 180.130 177.584 -0.297 0.000 1.186 233 A CA 2.339 54.313 52.037 -0.104 0.000 0.624 233 A CB -1.176 17.788 19.000 -0.060 0.000 0.822 233 A HN 0.608 nan 8.150 nan 0.000 0.444 234 G N -0.912 107.690 108.800 -0.330 0.000 2.402 234 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 234 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 234 G C 1.515 175.896 174.900 -0.866 0.000 1.162 234 G CA 1.218 46.051 45.100 -0.444 0.000 0.777 234 G HN 0.328 nan 8.290 nan 0.000 0.539 235 V N 0.584 119.851 119.914 -1.078 0.000 2.323 235 V HA -0.073 4.047 4.120 -0.000 0.000 0.244 235 V C 2.597 178.427 176.094 -0.441 0.000 1.041 235 V CA 1.341 63.154 62.300 -0.811 0.000 1.025 235 V CB -0.277 31.080 31.823 -0.778 0.000 0.656 235 V HN 0.321 nan 8.190 nan 0.000 0.451 236 I N -0.045 120.223 120.570 -0.504 0.000 2.286 236 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 236 I C 2.437 178.355 176.117 -0.331 0.000 1.115 236 I CA 1.650 62.664 61.300 -0.476 0.000 1.392 236 I CB -0.145 37.239 38.000 -1.028 0.000 1.065 236 I HN 0.214 nan 8.210 nan 0.000 0.418 237 S N -0.768 114.743 115.700 -0.315 0.000 2.377 237 S HA -0.130 4.339 4.470 -0.000 0.000 0.223 237 S C 1.985 176.576 174.600 -0.015 0.000 1.030 237 S CA 1.528 59.641 58.200 -0.144 0.000 0.970 237 S CB -0.609 62.550 63.200 -0.069 0.000 0.830 237 S HN 0.694 nan 8.310 nan 0.000 0.473 238 T N 0.421 114.914 114.554 -0.102 0.000 2.770 238 T HA 0.034 4.384 4.350 -0.000 0.000 0.263 238 T C 2.065 176.734 174.700 -0.052 0.000 1.039 238 T CA 1.263 63.291 62.100 -0.120 0.000 1.142 238 T CB -1.073 67.485 68.868 -0.516 0.000 0.868 238 T HN 0.337 nan 8.240 nan 0.000 0.435 239 G N 1.223 109.964 108.800 -0.099 0.000 2.421 239 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 239 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 239 G C 1.913 176.845 174.900 0.052 0.000 1.171 239 G CA 1.059 46.164 45.100 0.009 0.000 0.775 239 G HN 0.557 nan 8.290 nan 0.000 0.543 240 S N 0.240 115.966 115.700 0.044 0.000 2.368 240 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 240 S C 1.897 176.566 174.600 0.115 0.000 1.029 240 S CA 1.077 59.322 58.200 0.076 0.000 0.988 240 S CB -0.342 62.888 63.200 0.050 0.000 0.838 240 S HN 0.412 nan 8.310 nan 0.000 0.462 241 F N 2.456 122.433 119.950 0.045 0.000 2.146 241 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 241 F C 1.842 177.701 175.800 0.098 0.000 1.096 241 F CA 0.705 58.747 58.000 0.070 0.000 1.275 241 F CB -0.634 38.401 39.000 0.060 0.000 1.008 241 F HN 0.140 nan 8.300 nan 0.000 0.480 242 L N 0.500 121.617 121.223 -0.176 0.000 2.046 242 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 242 L C 2.249 179.007 176.870 -0.187 0.000 1.077 242 L CA 2.577 57.274 54.840 -0.238 0.000 0.747 242 L CB -1.464 40.633 42.059 0.063 0.000 0.896 242 L HN 0.231 nan 8.230 nan 0.000 0.432 243 T N -0.896 113.619 114.554 -0.065 0.000 2.635 243 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 243 T C 1.829 176.509 174.700 -0.033 0.000 1.040 243 T CA 2.469 64.558 62.100 -0.019 0.000 1.156 243 T CB -0.866 68.014 68.868 0.021 0.000 0.863 243 T HN 0.720 nan 8.240 nan 0.000 0.430 244 T N 1.088 115.619 114.554 -0.038 0.000 2.788 244 T HA -0.011 4.339 4.350 -0.000 0.000 0.268 244 T C 2.216 176.867 174.700 -0.082 0.000 1.044 244 T CA 1.378 63.486 62.100 0.013 0.000 1.139 244 T CB -0.598 68.327 68.868 0.096 0.000 0.867 244 T HN 0.350 nan 8.240 nan 0.000 0.454 245 A N 1.469 124.095 122.820 -0.323 0.000 1.933 245 A HA 0.162 4.482 4.320 -0.000 0.000 0.218 245 A C 2.480 179.985 177.584 -0.131 0.000 1.175 245 A CA 1.452 53.299 52.037 -0.317 0.000 0.628 245 A CB -0.869 17.745 19.000 -0.644 0.000 0.814 245 A HN 0.579 nan 8.150 nan 0.000 0.444 246 L N -0.695 120.468 121.223 -0.101 0.000 2.056 246 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 246 L C 2.474 179.342 176.870 -0.003 0.000 1.078 246 L CA 1.125 55.946 54.840 -0.032 0.000 0.749 246 L CB -0.474 41.583 42.059 -0.004 0.000 0.901 246 L HN 0.367 nan 8.230 nan 0.000 0.433 247 I N -0.757 119.822 120.570 0.016 0.000 2.163 247 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 247 I C 2.645 178.793 176.117 0.053 0.000 1.085 247 I CA 1.286 62.619 61.300 0.055 0.000 1.347 247 I CB -0.275 37.795 38.000 0.117 0.000 1.044 247 I HN 0.181 nan 8.210 nan 0.000 0.408 248 S N 0.815 116.541 115.700 0.043 0.000 2.370 248 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 248 S C 2.006 176.625 174.600 0.032 0.000 1.033 248 S CA 1.324 59.552 58.200 0.046 0.000 1.011 248 S CB -0.379 62.846 63.200 0.042 0.000 0.852 248 S HN 0.338 nan 8.310 nan 0.000 0.457 249 L N 0.714 121.946 121.223 0.016 0.000 2.056 249 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 249 L C 2.168 179.048 176.870 0.017 0.000 1.078 249 L CA 1.115 55.963 54.840 0.014 0.000 0.749 249 L CB -0.467 41.594 42.059 0.003 0.000 0.901 249 L HN 0.315 nan 8.230 nan 0.000 0.433 250 I N -0.580 120.001 120.570 0.018 0.000 2.226 250 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 250 I C 2.348 178.483 176.117 0.029 0.000 1.100 250 I CA 1.341 62.654 61.300 0.022 0.000 1.374 250 I CB -0.252 37.762 38.000 0.024 0.000 1.057 250 I HN 0.336 nan 8.210 nan 0.000 0.413 251 Q N 0.453 120.276 119.800 0.038 0.000 2.437 251 Q HA -0.042 4.298 4.340 -0.000 0.000 0.210 251 Q C 0.485 176.506 176.000 0.035 0.000 0.972 251 Q CA 0.696 56.524 55.803 0.041 0.000 0.903 251 Q CB 0.113 28.883 28.738 0.054 0.000 0.967 251 Q HN 0.435 nan 8.270 nan 0.000 0.486 252 R N 0.584 121.103 120.500 0.031 0.000 2.748 252 R HA 0.146 4.486 4.340 -0.000 0.000 0.283 252 R C -2.005 174.308 176.300 0.023 0.000 1.507 252 R CA -1.179 54.937 56.100 0.028 0.000 1.666 252 R CB 0.774 31.091 30.300 0.029 0.000 1.237 252 R HN 0.041 nan 8.270 nan 0.000 0.633 253 P HA -0.217 nan 4.420 nan 0.000 0.221 253 P C 0.903 178.214 177.300 0.019 0.000 1.145 253 P CA 1.121 64.231 63.100 0.017 0.000 0.795 253 P CB 0.502 32.211 31.700 0.014 0.000 0.775 254 Q N -0.797 119.016 119.800 0.021 0.000 2.119 254 Q HA -0.112 4.227 4.340 -0.000 0.000 0.201 254 Q C 2.182 178.198 176.000 0.027 0.000 0.972 254 Q CA 0.780 56.597 55.803 0.023 0.000 0.847 254 Q CB -0.440 28.310 28.738 0.021 0.000 0.903 254 Q HN 0.122 nan 8.270 nan 0.000 0.433 255 L N 0.844 122.082 121.223 0.026 0.000 2.056 255 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 255 L C 2.404 179.294 176.870 0.034 0.000 1.078 255 L CA 1.689 56.545 54.840 0.028 0.000 0.749 255 L CB -0.498 41.575 42.059 0.024 0.000 0.901 255 L HN 0.089 nan 8.230 nan 0.000 0.433 256 R N -0.413 120.105 120.500 0.030 0.000 2.094 256 R HA -0.233 4.107 4.340 -0.000 0.000 0.239 256 R C 2.011 178.343 176.300 0.054 0.000 1.137 256 R CA 2.171 58.289 56.100 0.031 0.000 0.943 256 R CB -0.440 29.867 30.300 0.012 0.000 0.850 256 R HN 0.438 nan 8.270 nan 0.000 0.433 257 N N 0.882 119.611 118.700 0.047 0.000 2.149 257 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 257 N C 1.626 177.194 175.510 0.098 0.000 1.019 257 N CA 1.095 54.190 53.050 0.075 0.000 0.857 257 N CB -0.428 38.090 38.487 0.051 0.000 0.997 257 N HN 0.190 nan 8.380 nan 0.000 0.426 258 L N 0.862 122.123 121.223 0.062 0.000 2.017 258 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 258 L C 1.862 178.760 176.870 0.046 0.000 1.073 258 L CA 1.413 56.281 54.840 0.047 0.000 0.745 258 L CB -0.589 41.490 42.059 0.033 0.000 0.894 258 L HN 0.140 nan 8.230 nan 0.000 0.432 259 L N -1.152 120.104 121.223 0.055 0.000 2.141 259 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 259 L C 2.653 179.558 176.870 0.059 0.000 1.094 259 L CA 1.349 56.218 54.840 0.048 0.000 0.763 259 L CB -1.004 41.085 42.059 0.049 0.000 0.908 259 L HN 0.524 nan 8.230 nan 0.000 0.437 260 H N 0.447 119.516 119.070 -0.002 0.000 2.353 260 H HA -0.221 4.335 4.556 -0.000 0.000 0.300 260 H C 2.079 177.405 175.328 -0.003 0.000 1.090 260 H CA 2.034 58.078 56.048 -0.007 0.000 1.327 260 H CB 0.479 30.236 29.762 -0.009 0.000 1.383 260 H HN 0.311 nan 8.280 nan 0.000 0.508 261 E N 0.705 120.844 120.200 -0.102 0.000 2.158 261 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 261 E C 0.234 176.770 176.600 -0.106 0.000 0.982 261 E CA 0.797 57.114 56.400 -0.138 0.000 0.823 261 E CB 0.350 30.042 29.700 -0.013 0.000 0.766 261 E HN 0.272 nan 8.360 nan 0.000 0.468 262 K N 0.733 121.100 120.400 -0.056 0.000 2.877 262 K HA 0.192 4.512 4.320 -0.000 0.000 0.176 262 K C -2.278 174.309 176.600 -0.022 0.000 1.075 262 K CA -1.320 54.946 56.287 -0.035 0.000 0.939 262 K CB 1.608 34.101 32.500 -0.011 0.000 1.237 262 K HN 0.050 nan 8.250 nan 0.000 0.607 263 P HA -0.219 nan 4.420 nan 0.000 0.228 263 P C 0.944 178.245 177.300 0.002 0.000 1.151 263 P CA 1.088 64.180 63.100 -0.015 0.000 0.770 263 P CB 0.301 31.983 31.700 -0.029 0.000 0.786 264 E N 0.802 121.002 120.200 -0.001 0.000 2.338 264 E HA -0.118 4.232 4.350 -0.000 0.000 0.197 264 E C 1.679 178.290 176.600 0.019 0.000 1.007 264 E CA 0.730 57.136 56.400 0.009 0.000 0.849 264 E CB -1.060 28.643 29.700 0.005 0.000 0.774 264 E HN 0.334 nan 8.360 nan 0.000 0.506 265 L N 0.576 121.810 121.223 0.018 0.000 2.554 265 L HA 0.110 4.450 4.340 -0.000 0.000 0.226 265 L C 2.403 179.294 176.870 0.036 0.000 1.137 265 L CA 0.020 54.876 54.840 0.026 0.000 0.863 265 L CB -0.308 41.764 42.059 0.022 0.000 0.985 265 L HN 0.031 nan 8.230 nan 0.000 0.451 266 I N 0.719 121.312 120.570 0.037 0.000 2.163 266 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 266 I C -0.226 175.931 176.117 0.066 0.000 1.085 266 I CA 1.549 62.879 61.300 0.049 0.000 1.347 266 I CB -1.268 36.760 38.000 0.046 0.000 1.044 266 I HN 0.227 nan 8.210 nan 0.000 0.408 267 P HA -0.184 nan 4.420 nan 0.000 0.215 267 P C 1.529 178.880 177.300 0.086 0.000 1.157 267 P CA 1.902 65.052 63.100 0.083 0.000 0.868 267 P CB -0.037 31.706 31.700 0.072 0.000 0.788 268 A N -0.156 122.704 122.820 0.067 0.000 1.908 268 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 268 A C 2.514 180.132 177.584 0.057 0.000 1.181 268 A CA 2.216 54.290 52.037 0.062 0.000 0.627 268 A CB -1.947 17.081 19.000 0.047 0.000 0.818 268 A HN 0.282 nan 8.150 nan 0.000 0.445 269 G N -0.712 108.120 108.800 0.054 0.000 2.418 269 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 269 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 269 G C 1.497 176.438 174.900 0.069 0.000 1.158 269 G CA 1.207 46.336 45.100 0.049 0.000 0.771 269 G HN 0.331 nan 8.290 nan 0.000 0.545 270 V N 0.550 120.525 119.914 0.101 0.000 2.490 270 V HA -0.127 3.993 4.120 -0.000 0.000 0.250 270 V C 2.663 178.838 176.094 0.135 0.000 1.061 270 V CA 2.179 64.576 62.300 0.161 0.000 1.064 270 V CB -0.184 31.756 31.823 0.195 0.000 0.670 270 V HN 0.390 nan 8.190 nan 0.000 0.461 271 E N -0.007 120.253 120.200 0.101 0.000 2.106 271 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 271 E C 2.256 178.822 176.600 -0.057 0.000 0.984 271 E CA 0.940 57.389 56.400 0.081 0.000 0.806 271 E CB -0.105 29.687 29.700 0.154 0.000 0.750 271 E HN 0.494 nan 8.360 nan 0.000 0.458 272 E N -0.083 120.093 120.200 -0.040 0.000 2.106 272 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 272 E C 2.160 178.685 176.600 -0.125 0.000 0.984 272 E CA 0.657 56.987 56.400 -0.118 0.000 0.806 272 E CB -0.111 29.546 29.700 -0.073 0.000 0.750 272 E HN 0.364 nan 8.360 nan 0.000 0.458 273 L N 0.371 121.591 121.223 -0.006 0.000 2.156 273 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 273 L C 2.560 179.525 176.870 0.159 0.000 1.095 273 L CA 0.463 55.356 54.840 0.088 0.000 0.770 273 L CB -0.370 41.786 42.059 0.162 0.000 0.914 273 L HN 0.094 nan 8.230 nan 0.000 0.439 274 L N -0.290 120.932 121.223 -0.002 0.000 1.989 274 L HA -0.257 4.083 4.340 -0.000 0.000 0.211 274 L C 2.887 179.417 176.870 -0.567 0.000 1.071 274 L CA 1.427 56.004 54.840 -0.438 0.000 0.749 274 L CB -0.467 41.181 42.059 -0.684 0.000 0.890 274 L HN 0.241 nan 8.230 nan 0.000 0.431 275 R N 0.891 120.972 120.500 -0.700 0.000 2.103 275 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 275 R C 2.053 178.078 176.300 -0.458 0.000 1.142 275 R CA 2.058 57.773 56.100 -0.642 0.000 0.960 275 R CB -0.368 29.539 30.300 -0.655 0.000 0.858 275 R HN 0.573 nan 8.270 nan 0.000 0.439 276 I N -0.390 119.969 120.570 -0.352 0.000 3.810 276 I HA 0.129 4.299 4.170 -0.000 0.000 0.322 276 I C -0.378 175.830 176.117 0.152 0.000 1.288 276 I CA -0.568 60.583 61.300 -0.249 0.000 1.143 276 I CB -0.487 37.405 38.000 -0.179 0.000 1.012 276 I HN 0.053 nan 8.210 nan 0.000 0.423 277 N N 1.582 120.348 118.700 0.110 0.000 2.520 277 N HA 0.215 4.955 4.740 -0.000 0.000 0.273 277 N C -0.036 175.606 175.510 0.221 0.000 1.155 277 N CA -0.408 52.772 53.050 0.216 0.000 0.967 277 N CB 1.113 39.803 38.487 0.338 0.000 1.092 277 N HN 0.332 nan 8.380 nan 0.000 0.457 278 L N 1.973 123.318 121.223 0.203 0.000 2.872 278 L HA 0.167 4.507 4.340 -0.000 0.000 0.245 278 L C 1.672 178.640 176.870 0.165 0.000 1.211 278 L CA -0.257 54.674 54.840 0.152 0.000 1.013 278 L CB -0.340 41.753 42.059 0.057 0.000 1.326 278 L HN 0.820 nan 8.230 nan 0.000 0.525 279 S N -0.343 115.496 115.700 0.232 0.000 2.402 279 S HA -0.068 4.402 4.470 -0.000 0.000 0.229 279 S C 0.665 175.353 174.600 0.147 0.000 1.021 279 S CA 0.452 58.777 58.200 0.209 0.000 0.974 279 S CB -0.357 62.989 63.200 0.244 0.000 0.800 279 S HN 0.183 nan 8.310 nan 0.000 0.484 280 F N 2.158 122.132 119.950 0.040 0.000 2.471 280 F HA 0.582 5.109 4.527 -0.000 0.000 0.365 280 F C 1.456 177.262 175.800 0.011 0.000 1.095 280 F CA -0.609 57.398 58.000 0.013 0.000 1.174 280 F CB 0.691 39.686 39.000 -0.009 0.000 1.105 280 F HN 0.205 nan 8.300 nan 0.000 0.535 281 A N 2.332 125.190 122.820 0.064 0.000 2.066 281 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 281 A C 0.426 178.030 177.584 0.033 0.000 1.157 281 A CA 0.904 52.967 52.037 0.044 0.000 0.670 281 A CB -0.307 18.709 19.000 0.026 0.000 0.804 281 A HN 0.607 nan 8.150 nan 0.000 0.453 282 D N -1.671 118.768 120.400 0.065 0.000 2.601 282 D HA 0.444 5.084 4.640 -0.000 0.000 0.230 282 D C 0.163 176.504 176.300 0.068 0.000 1.106 282 D CA -0.051 53.965 54.000 0.026 0.000 0.873 282 D CB 1.382 42.181 40.800 -0.003 0.000 1.515 282 D HN 0.151 nan 8.370 nan 0.000 0.468 283 G N 0.341 109.149 108.800 0.014 0.000 2.562 283 G HA2 0.234 4.194 3.960 -0.000 0.000 0.233 283 G HA3 0.234 4.194 3.960 -0.000 0.000 0.233 283 G C 0.310 175.225 174.900 0.025 0.000 1.266 283 G CA -0.325 44.783 45.100 0.014 0.000 0.852 283 G HN 0.374 nan 8.290 nan 0.000 0.581 284 L N 3.538 124.761 121.223 -0.001 0.000 2.418 284 L HA 0.225 4.565 4.340 -0.000 0.000 0.274 284 L C -1.661 175.202 176.870 -0.012 0.000 1.135 284 L CA -1.471 53.367 54.840 -0.004 0.000 0.870 284 L CB 0.945 42.972 42.059 -0.053 0.000 1.154 284 L HN 0.362 nan 8.230 nan 0.000 0.462 285 P HA 0.386 nan 4.420 nan 0.000 0.288 285 P C -0.974 176.331 177.300 0.007 0.000 1.267 285 P CA -0.634 62.463 63.100 -0.005 0.000 0.815 285 P CB 1.598 33.289 31.700 -0.015 0.000 0.989 286 R N 1.723 122.248 120.500 0.042 0.000 2.771 286 R HA 0.572 4.912 4.340 -0.000 0.000 0.274 286 R C -1.001 175.383 176.300 0.140 0.000 0.987 286 R CA -1.158 55.002 56.100 0.100 0.000 0.908 286 R CB 1.610 32.004 30.300 0.157 0.000 1.213 286 R HN 0.414 nan 8.270 nan 0.000 0.468 287 L N 1.328 122.637 121.223 0.144 0.000 2.296 287 L HA 0.565 4.905 4.340 -0.000 0.000 0.286 287 L C -0.205 176.763 176.870 0.163 0.000 1.023 287 L CA -0.321 54.602 54.840 0.139 0.000 0.812 287 L CB 1.684 43.786 42.059 0.073 0.000 1.223 287 L HN 0.832 nan 8.230 nan 0.000 0.421 288 A N 2.245 125.175 122.820 0.184 0.000 2.450 288 A HA 0.423 4.743 4.320 -0.000 0.000 0.255 288 A C 0.923 178.484 177.584 -0.039 0.000 1.096 288 A CA 0.429 52.479 52.037 0.022 0.000 0.778 288 A CB -0.068 18.968 19.000 0.059 0.000 1.031 288 A HN 0.876 nan 8.150 nan 0.000 0.494 289 T N -0.986 113.494 114.554 -0.123 0.000 3.054 289 T HA 0.580 4.930 4.350 -0.000 0.000 0.255 289 T C 0.341 174.983 174.700 -0.097 0.000 1.035 289 T CA 0.529 62.582 62.100 -0.078 0.000 0.941 289 T CB -0.156 68.674 68.868 -0.064 0.000 1.026 289 T HN 1.583 nan 8.240 nan 0.000 0.533 290 A N 0.581 123.313 122.820 -0.146 0.000 2.609 290 A HA 0.631 4.951 4.320 -0.000 0.000 0.291 290 A C -1.765 175.751 177.584 -0.113 0.000 1.096 290 A CA -0.910 51.056 52.037 -0.119 0.000 0.684 290 A CB 0.944 19.861 19.000 -0.137 0.000 1.282 290 A HN 0.155 nan 8.150 nan 0.000 0.412 291 D N 0.966 121.325 120.400 -0.068 0.000 2.343 291 D HA 0.509 5.149 4.640 -0.000 0.000 0.255 291 D C -0.542 175.718 176.300 -0.067 0.000 1.187 291 D CA 1.011 54.985 54.000 -0.044 0.000 0.875 291 D CB 0.410 41.198 40.800 -0.021 0.000 1.136 291 D HN 0.388 nan 8.370 nan 0.000 0.469 292 I N 1.747 122.282 120.570 -0.058 0.000 2.533 292 I HA 0.114 4.284 4.170 -0.000 0.000 0.290 292 I C -0.146 175.981 176.117 0.017 0.000 1.056 292 I CA -1.096 60.181 61.300 -0.038 0.000 1.057 292 I CB 2.158 40.088 38.000 -0.116 0.000 1.240 292 I HN 0.006 nan 8.210 nan 0.000 0.423 293 Q N 4.858 124.661 119.800 0.004 0.000 2.293 293 Q HA 0.393 4.733 4.340 -0.000 0.000 0.263 293 Q C -1.341 174.658 176.000 -0.001 0.000 1.002 293 Q CA 0.052 55.843 55.803 -0.020 0.000 0.910 293 Q CB 1.034 29.759 28.738 -0.023 0.000 1.185 293 Q HN 0.479 nan 8.270 nan 0.000 0.401 294 V N 5.428 125.307 119.914 -0.060 0.000 2.380 294 V HA 0.670 4.790 4.120 -0.000 0.000 0.286 294 V C 0.831 176.858 176.094 -0.112 0.000 1.015 294 V CA 0.048 62.303 62.300 -0.075 0.000 0.834 294 V CB 0.464 32.217 31.823 -0.117 0.000 1.009 294 V HN 1.047 nan 8.190 nan 0.000 0.428 295 G N 4.869 113.626 108.800 -0.071 0.000 2.611 295 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.301 295 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.301 295 G C 0.402 175.260 174.900 -0.071 0.000 1.233 295 G CA 0.672 45.735 45.100 -0.062 0.000 0.993 295 G HN 0.622 nan 8.290 nan 0.000 0.553 296 D N 0.509 120.864 120.400 -0.076 0.000 2.336 296 D HA 0.307 4.947 4.640 -0.000 0.000 0.229 296 D C 0.612 176.842 176.300 -0.117 0.000 1.061 296 D CA 0.628 54.585 54.000 -0.072 0.000 0.875 296 D CB 0.412 41.186 40.800 -0.043 0.000 0.904 296 D HN 0.288 nan 8.370 nan 0.000 0.525 297 V N 1.381 121.175 119.914 -0.200 0.000 2.604 297 V HA 0.218 4.338 4.120 -0.000 0.000 0.305 297 V C -0.335 175.587 176.094 -0.287 0.000 1.043 297 V CA -1.025 61.078 62.300 -0.328 0.000 0.888 297 V CB 2.660 34.064 31.823 -0.699 0.000 0.995 297 V HN -0.116 nan 8.190 nan 0.000 0.429 298 L N 6.570 127.665 121.223 -0.212 0.000 2.302 298 L HA 0.450 4.790 4.340 -0.000 0.000 0.285 298 L C -0.109 176.675 176.870 -0.142 0.000 1.090 298 L CA 0.424 55.187 54.840 -0.130 0.000 0.866 298 L CB 0.848 42.874 42.059 -0.054 0.000 1.244 298 L HN 0.467 nan 8.230 nan 0.000 0.435 299 V N 5.734 125.551 119.914 -0.162 0.000 2.637 299 V HA 0.369 4.489 4.120 -0.000 0.000 0.296 299 V C 0.531 176.660 176.094 0.059 0.000 1.046 299 V CA -0.542 61.716 62.300 -0.070 0.000 1.066 299 V CB 0.689 32.519 31.823 0.011 0.000 0.968 299 V HN 0.625 nan 8.190 nan 0.000 0.483 300 R N 2.990 123.577 120.500 0.145 0.000 2.643 300 R HA 0.394 4.734 4.340 -0.000 0.000 0.272 300 R C -0.057 176.293 176.300 0.084 0.000 0.995 300 R CA -1.164 54.995 56.100 0.098 0.000 1.032 300 R CB 0.556 30.923 30.300 0.113 0.000 1.126 300 R HN 0.675 nan 8.270 nan 0.000 0.505 301 K N 0.450 120.871 120.400 0.034 0.000 2.511 301 K HA 0.044 4.364 4.320 -0.000 0.000 0.280 301 K C 0.581 177.207 176.600 0.043 0.000 1.008 301 K CA 1.496 57.793 56.287 0.017 0.000 1.050 301 K CB -0.008 32.489 32.500 -0.004 0.000 0.889 301 K HN 0.778 nan 8.250 nan 0.000 0.484 302 G N 2.732 111.559 108.800 0.046 0.000 2.175 302 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 302 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 302 G C -0.308 174.635 174.900 0.071 0.000 0.982 302 G CA 0.115 45.243 45.100 0.047 0.000 0.641 302 G HN 0.677 nan 8.290 nan 0.000 0.527 303 E N -0.273 119.999 120.200 0.120 0.000 2.313 303 E HA 0.541 4.891 4.350 -0.000 0.000 0.272 303 E C -0.180 176.526 176.600 0.176 0.000 1.038 303 E CA -0.850 55.646 56.400 0.159 0.000 0.863 303 E CB 1.769 31.643 29.700 0.290 0.000 1.060 303 E HN 0.219 nan 8.360 nan 0.000 0.402 304 L N 3.188 124.481 121.223 0.116 0.000 2.290 304 L HA 0.254 4.594 4.340 -0.000 0.000 0.284 304 L C -1.136 175.823 176.870 0.148 0.000 1.078 304 L CA -0.296 54.602 54.840 0.097 0.000 0.815 304 L CB 1.168 43.237 42.059 0.017 0.000 1.162 304 L HN 0.217 nan 8.230 nan 0.000 0.435 305 V N 6.469 126.475 119.914 0.153 0.000 2.555 305 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 305 V C -0.218 175.902 176.094 0.044 0.000 1.038 305 V CA -0.625 61.754 62.300 0.133 0.000 0.887 305 V CB 1.698 33.562 31.823 0.068 0.000 0.991 305 V HN 0.603 nan 8.190 nan 0.000 0.434 306 L N 4.756 125.998 121.223 0.032 0.000 2.325 306 L HA 0.574 4.913 4.340 -0.000 0.000 0.281 306 L C -0.605 176.256 176.870 -0.016 0.000 1.004 306 L CA -0.793 54.047 54.840 0.000 0.000 0.823 306 L CB 1.966 44.021 42.059 -0.006 0.000 1.236 306 L HN 0.353 nan 8.230 nan 0.000 0.415 307 V N 4.639 124.528 119.914 -0.040 0.000 2.353 307 V HA 0.158 4.278 4.120 -0.000 0.000 0.264 307 V C 0.105 176.176 176.094 -0.037 0.000 1.049 307 V CA -0.369 61.896 62.300 -0.059 0.000 0.896 307 V CB 1.364 33.131 31.823 -0.094 0.000 1.025 307 V HN 0.442 nan 8.190 nan 0.000 0.475 308 L N 6.129 127.347 121.223 -0.008 0.000 2.342 308 L HA 0.290 4.630 4.340 -0.000 0.000 0.285 308 L C 1.066 177.950 176.870 0.023 0.000 1.095 308 L CA 0.608 55.460 54.840 0.020 0.000 0.843 308 L CB 0.376 42.468 42.059 0.055 0.000 1.201 308 L HN 0.553 nan 8.230 nan 0.000 0.445 309 L N 3.524 124.748 121.223 0.001 0.000 2.046 309 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 309 L C 2.237 179.166 176.870 0.097 0.000 1.077 309 L CA 1.430 56.266 54.840 -0.007 0.000 0.747 309 L CB -0.444 41.550 42.059 -0.108 0.000 0.896 309 L HN 0.784 nan 8.230 nan 0.000 0.432 310 E N 0.458 120.742 120.200 0.141 0.000 2.274 310 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 310 E C 2.014 178.781 176.600 0.279 0.000 0.996 310 E CA 1.135 57.703 56.400 0.280 0.000 0.840 310 E CB -0.423 29.394 29.700 0.195 0.000 0.772 310 E HN 0.397 nan 8.360 nan 0.000 0.491 311 G N 1.936 110.834 108.800 0.164 0.000 2.491 311 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 311 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 311 G C 1.813 176.845 174.900 0.220 0.000 1.180 311 G CA 1.897 47.092 45.100 0.158 0.000 0.774 311 G HN 0.489 nan 8.290 nan 0.000 0.562 312 A N 0.950 123.887 122.820 0.195 0.000 1.873 312 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 312 A C 2.211 180.076 177.584 0.468 0.000 1.186 312 A CA 1.807 54.000 52.037 0.260 0.000 0.616 312 A CB -0.375 18.672 19.000 0.079 0.000 0.823 312 A HN 0.350 nan 8.150 nan 0.000 0.442 313 N N -1.299 117.636 118.700 0.392 0.000 2.494 313 N HA 0.029 4.769 4.740 -0.000 0.000 0.182 313 N C 0.176 175.768 175.510 0.136 0.000 1.076 313 N CA 0.759 53.999 53.050 0.317 0.000 0.908 313 N CB -0.204 38.333 38.487 0.083 0.000 0.967 313 N HN 0.491 nan 8.380 nan 0.000 0.449 314 F N 0.130 120.211 119.950 0.218 0.000 2.654 314 F HA 0.189 4.716 4.527 -0.000 0.000 0.303 314 F C 0.532 176.454 175.800 0.204 0.000 1.099 314 F CA -0.906 57.194 58.000 0.166 0.000 1.270 314 F CB 0.348 39.403 39.000 0.091 0.000 1.024 314 F HN -0.244 nan 8.300 nan 0.000 0.548 315 D N 2.886 123.536 120.400 0.417 0.000 2.338 315 D HA 0.069 4.709 4.640 -0.000 0.000 0.255 315 D C -1.556 174.887 176.300 0.238 0.000 1.237 315 D CA -2.157 52.021 54.000 0.297 0.000 0.883 315 D CB 1.359 42.335 40.800 0.293 0.000 1.087 315 D HN 0.036 nan 8.370 nan 0.000 0.485 316 P HA -0.071 nan 4.420 nan 0.000 0.229 316 P C 0.851 178.179 177.300 0.047 0.000 1.160 316 P CA 0.610 63.780 63.100 0.116 0.000 0.777 316 P CB 0.444 32.202 31.700 0.097 0.000 0.814 317 E N -1.063 119.162 120.200 0.043 0.000 2.204 317 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 317 E C 1.806 178.358 176.600 -0.081 0.000 0.990 317 E CA 1.095 57.494 56.400 -0.001 0.000 0.821 317 E CB -0.299 29.419 29.700 0.030 0.000 0.750 317 E HN 0.452 nan 8.360 nan 0.000 0.477 318 H N -1.432 117.476 119.070 -0.270 0.000 2.545 318 H HA 0.153 4.709 4.556 -0.000 0.000 0.283 318 H C -0.199 174.711 175.328 -0.697 0.000 0.997 318 H CA 0.309 55.964 56.048 -0.656 0.000 1.269 318 H CB 0.513 29.522 29.762 -1.256 0.000 1.451 318 H HN -0.100 nan 8.280 nan 0.000 0.508 319 F N 2.287 122.153 119.950 -0.139 0.000 2.363 319 F HA 0.366 4.893 4.527 -0.000 0.000 0.366 319 F C -2.354 173.404 175.800 -0.070 0.000 1.083 319 F CA -2.682 55.240 58.000 -0.130 0.000 1.176 319 F CB 1.247 40.215 39.000 -0.054 0.000 1.432 319 F HN 0.012 nan 8.300 nan 0.000 0.482 320 P HA -0.037 nan 4.420 nan 0.000 0.266 320 P C -0.302 177.036 177.300 0.063 0.000 1.195 320 P CA 0.325 63.453 63.100 0.046 0.000 0.768 320 P CB 0.354 32.056 31.700 0.003 0.000 0.838 321 N N 0.949 119.684 118.700 0.058 0.000 2.727 321 N HA -0.131 4.609 4.740 -0.000 0.000 0.251 321 N C -1.512 174.031 175.510 0.055 0.000 1.040 321 N CA 0.347 53.428 53.050 0.053 0.000 0.712 321 N CB -1.360 37.147 38.487 0.034 0.000 0.912 321 N HN 0.451 nan 8.380 nan 0.000 0.545 322 P HA -0.095 nan 4.420 nan 0.000 0.222 322 P C 1.429 178.725 177.300 -0.006 0.000 1.147 322 P CA 1.526 64.657 63.100 0.052 0.000 0.790 322 P CB -0.064 31.742 31.700 0.177 0.000 0.780 323 G N -0.549 108.325 108.800 0.123 0.000 2.813 323 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.209 323 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.209 323 G C 0.474 175.412 174.900 0.063 0.000 1.150 323 G CA 0.073 45.268 45.100 0.159 0.000 0.785 323 G HN 0.245 nan 8.290 nan 0.000 0.535 324 S N 0.540 116.250 115.700 0.017 0.000 2.541 324 S HA 0.504 4.974 4.470 -0.000 0.000 0.283 324 S C -0.162 174.419 174.600 -0.032 0.000 1.196 324 S CA -0.596 57.607 58.200 0.004 0.000 1.062 324 S CB 1.686 64.893 63.200 0.012 0.000 1.009 324 S HN -0.004 nan 8.310 nan 0.000 0.502 325 I N 3.021 123.578 120.570 -0.022 0.000 2.396 325 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 325 I C 0.461 176.566 176.117 -0.019 0.000 1.056 325 I CA 0.196 61.476 61.300 -0.033 0.000 1.365 325 I CB -0.162 37.830 38.000 -0.013 0.000 1.407 325 I HN 0.674 nan 8.210 nan 0.000 0.509 326 E N 6.346 126.530 120.200 -0.026 0.000 2.216 326 E HA 0.323 4.673 4.350 -0.000 0.000 0.260 326 E C 0.244 176.843 176.600 -0.001 0.000 0.880 326 E CA -0.432 55.963 56.400 -0.007 0.000 0.765 326 E CB 2.075 31.773 29.700 -0.002 0.000 1.174 326 E HN 0.484 nan 8.360 nan 0.000 0.417 327 L N 2.226 123.454 121.223 0.009 0.000 2.591 327 L HA 0.032 4.372 4.340 -0.000 0.000 0.228 327 L C 0.617 177.501 176.870 0.024 0.000 1.133 327 L CA 0.430 55.280 54.840 0.017 0.000 0.880 327 L CB -0.151 41.919 42.059 0.019 0.000 1.033 327 L HN 0.450 nan 8.230 nan 0.000 0.450 328 D N -1.148 119.265 120.400 0.022 0.000 2.804 328 D HA 0.071 4.711 4.640 -0.000 0.000 0.308 328 D C 0.361 176.677 176.300 0.026 0.000 1.371 328 D CA -0.424 53.590 54.000 0.024 0.000 0.823 328 D CB 0.109 40.920 40.800 0.017 0.000 1.126 328 D HN 0.044 nan 8.370 nan 0.000 0.467 329 R N 1.360 121.882 120.500 0.038 0.000 2.641 329 R HA 0.332 4.672 4.340 -0.000 0.000 0.269 329 R C -2.089 174.239 176.300 0.046 0.000 1.074 329 R CA -1.081 55.048 56.100 0.049 0.000 1.133 329 R CB 0.139 30.494 30.300 0.091 0.000 1.029 329 R HN 0.152 nan 8.270 nan 0.000 0.488 330 P HA 0.026 nan 4.420 nan 0.000 0.275 330 P C -1.029 176.291 177.300 0.034 0.000 1.228 330 P CA -0.301 62.806 63.100 0.012 0.000 0.786 330 P CB 0.271 31.955 31.700 -0.026 0.000 0.927 331 N N 0.933 119.659 118.700 0.042 0.000 2.669 331 N HA -0.160 4.580 4.740 -0.000 0.000 0.266 331 N C -1.576 174.020 175.510 0.143 0.000 1.024 331 N CA -0.111 52.983 53.050 0.073 0.000 0.766 331 N CB -1.034 37.489 38.487 0.060 0.000 0.898 331 N HN 0.487 nan 8.380 nan 0.000 0.548 332 P HA -0.148 nan 4.420 nan 0.000 0.230 332 P C 1.036 178.477 177.300 0.235 0.000 1.158 332 P CA 1.259 64.470 63.100 0.184 0.000 0.769 332 P CB 0.094 31.870 31.700 0.127 0.000 0.807 333 T N -3.690 110.954 114.554 0.150 0.000 3.144 333 T HA 0.051 4.401 4.350 -0.000 0.000 0.249 333 T C 1.498 176.114 174.700 -0.139 0.000 1.089 333 T CA 0.425 62.531 62.100 0.011 0.000 0.989 333 T CB -0.938 67.954 68.868 0.041 0.000 0.992 333 T HN 0.130 nan 8.240 nan 0.000 0.540 334 S N 1.023 116.812 115.700 0.148 0.000 2.607 334 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 334 S C 0.665 175.537 174.600 0.453 0.000 0.969 334 S CA -0.514 57.844 58.200 0.264 0.000 0.927 334 S CB -1.100 62.322 63.200 0.370 0.000 0.772 334 S HN 0.911 nan 8.310 nan 0.000 0.533 335 H N 0.192 119.588 119.070 0.543 0.000 2.660 335 H HA 0.470 5.026 4.556 -0.000 0.000 0.374 335 H C 0.500 175.980 175.328 0.252 0.000 1.291 335 H CA -0.806 55.509 56.048 0.444 0.000 1.437 335 H CB 0.235 30.067 29.762 0.116 0.000 1.509 335 H HN 0.125 nan 8.280 nan 0.000 0.614 336 L N 0.806 122.224 121.223 0.325 0.000 2.965 336 L HA 0.335 4.675 4.340 -0.000 0.000 0.254 336 L C 1.769 178.670 176.870 0.052 0.000 1.220 336 L CA 0.201 55.121 54.840 0.134 0.000 1.023 336 L CB -0.069 41.994 42.059 0.006 0.000 1.355 336 L HN 0.899 nan 8.230 nan 0.000 0.545 337 A N 0.040 122.951 122.820 0.152 0.000 2.019 337 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 337 A C 1.409 178.701 177.584 -0.486 0.000 1.164 337 A CA 1.460 53.335 52.037 -0.270 0.000 0.644 337 A CB -0.330 18.362 19.000 -0.514 0.000 0.805 337 A HN 0.395 nan 8.150 nan 0.000 0.449 338 F N -0.631 119.258 119.950 -0.102 0.000 2.647 338 F HA 0.444 4.971 4.527 -0.000 0.000 0.300 338 F C 1.553 177.124 175.800 -0.382 0.000 1.106 338 F CA 0.037 57.829 58.000 -0.346 0.000 1.313 338 F CB -0.244 38.422 39.000 -0.557 0.000 1.007 338 F HN 0.424 nan 8.300 nan 0.000 0.536 339 G N 1.315 110.086 108.800 -0.048 0.000 2.598 339 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.244 339 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.244 339 G C -0.521 174.540 174.900 0.270 0.000 1.302 339 G CA -0.245 44.874 45.100 0.031 0.000 0.903 339 G HN 0.522 nan 8.290 nan 0.000 0.575 340 R N -1.168 119.498 120.500 0.276 0.000 2.736 340 R HA 0.630 4.970 4.340 -0.000 0.000 0.250 340 R C 0.513 176.908 176.300 0.158 0.000 1.098 340 R CA 1.447 57.692 56.100 0.242 0.000 0.978 340 R CB 0.730 31.072 30.300 0.070 0.000 1.263 340 R HN 2.908 nan 8.270 nan 0.000 0.460 341 G N 2.283 111.142 108.800 0.098 0.000 2.499 341 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.232 341 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.232 341 G C 0.371 175.298 174.900 0.045 0.000 1.251 341 G CA 0.465 45.591 45.100 0.043 0.000 0.917 341 G HN 0.729 nan 8.290 nan 0.000 0.580 342 Q N -0.956 118.820 119.800 -0.041 0.000 2.173 342 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 342 Q C 1.897 177.751 176.000 -0.242 0.000 0.989 342 Q CA 2.821 58.505 55.803 -0.198 0.000 0.872 342 Q CB -0.257 28.252 28.738 -0.383 0.000 0.909 342 Q HN 0.722 nan 8.270 nan 0.000 0.420 343 H N -1.350 117.786 119.070 0.111 0.000 2.505 343 H HA 0.119 4.675 4.556 -0.000 0.000 0.286 343 H C -0.688 174.706 175.328 0.110 0.000 1.072 343 H CA -0.477 55.628 56.048 0.095 0.000 1.141 343 H CB -0.490 29.308 29.762 0.060 0.000 1.550 343 H HN 0.206 nan 8.280 nan 0.000 0.547 344 F N 1.985 121.982 119.950 0.079 0.000 2.629 344 F HA -0.068 4.459 4.527 -0.000 0.000 0.377 344 F C 0.874 176.710 175.800 0.060 0.000 1.101 344 F CA -0.390 57.646 58.000 0.061 0.000 1.301 344 F CB 0.462 39.476 39.000 0.023 0.000 1.062 344 F HN 0.146 nan 8.300 nan 0.000 0.583 345 C N 10.433 129.316 119.300 -0.696 0.000 2.592 345 C HA 0.109 4.569 4.460 -0.000 0.000 0.408 345 C C -0.686 174.124 174.990 -0.299 0.000 1.436 345 C CA -1.151 57.614 59.018 -0.421 0.000 1.595 345 C CB -0.393 27.124 27.740 -0.373 0.000 2.487 345 C HN 0.787 nan 8.230 nan 0.000 0.610 346 P HA 0.081 nan 4.420 nan 0.000 0.229 346 P C 1.023 178.334 177.300 0.018 0.000 1.160 346 P CA 1.422 64.558 63.100 0.060 0.000 0.777 346 P CB 0.006 31.821 31.700 0.191 0.000 0.814 347 G N 0.421 109.181 108.800 -0.067 0.000 3.371 347 G HA2 0.020 3.980 3.960 -0.000 0.000 0.248 347 G HA3 0.020 3.980 3.960 -0.000 0.000 0.248 347 G C 1.428 176.211 174.900 -0.194 0.000 1.161 347 G CA 0.468 45.535 45.100 -0.055 0.000 0.796 347 G HN 0.342 nan 8.290 nan 0.000 0.539 348 S N 0.926 116.342 115.700 -0.474 0.000 2.370 348 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 348 S C 2.578 176.895 174.600 -0.470 0.000 1.033 348 S CA 1.501 59.084 58.200 -1.029 0.000 1.011 348 S CB -0.419 61.937 63.200 -1.407 0.000 0.852 348 S HN 0.477 nan 8.310 nan 0.000 0.457 349 A N 1.743 124.442 122.820 -0.202 0.000 1.902 349 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 349 A C 2.254 179.841 177.584 0.004 0.000 1.181 349 A CA 1.484 53.486 52.037 -0.058 0.000 0.623 349 A CB -0.931 18.061 19.000 -0.015 0.000 0.818 349 A HN 0.464 nan 8.150 nan 0.000 0.443 350 L N 0.117 121.343 121.223 0.004 0.000 2.012 350 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 350 L C 2.613 179.555 176.870 0.119 0.000 1.073 350 L CA 2.132 57.000 54.840 0.046 0.000 0.748 350 L CB -1.326 40.743 42.059 0.017 0.000 0.891 350 L HN 0.381 nan 8.230 nan 0.000 0.431 351 G N -1.245 107.628 108.800 0.121 0.000 2.446 351 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 351 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 351 G C 1.811 176.904 174.900 0.321 0.000 1.168 351 G CA 0.824 46.073 45.100 0.248 0.000 0.771 351 G HN 0.343 nan 8.290 nan 0.000 0.551 352 R N -0.315 120.341 120.500 0.260 0.000 2.073 352 R HA 0.025 4.365 4.340 -0.000 0.000 0.234 352 R C 2.847 179.278 176.300 0.218 0.000 1.134 352 R CA 0.999 57.254 56.100 0.258 0.000 0.952 352 R CB -0.228 30.190 30.300 0.197 0.000 0.850 352 R HN 0.161 nan 8.270 nan 0.000 0.433 353 R N -0.167 120.437 120.500 0.174 0.000 2.075 353 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 353 R C 2.245 178.643 176.300 0.163 0.000 1.126 353 R CA 1.237 57.423 56.100 0.144 0.000 0.963 353 R CB -0.830 29.537 30.300 0.112 0.000 0.858 353 R HN 0.495 nan 8.270 nan 0.000 0.435 354 H N 0.717 119.854 119.070 0.111 0.000 2.319 354 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 354 H C 1.639 177.032 175.328 0.108 0.000 1.092 354 H CA 1.965 58.071 56.048 0.098 0.000 1.302 354 H CB 0.198 30.029 29.762 0.115 0.000 1.373 354 H HN 0.163 nan 8.280 nan 0.000 0.497 355 A N 0.872 123.847 122.820 0.259 0.000 1.897 355 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 355 A C 2.504 180.150 177.584 0.103 0.000 1.181 355 A CA 1.346 53.496 52.037 0.189 0.000 0.620 355 A CB -0.535 18.755 19.000 0.485 0.000 0.821 355 A HN 0.577 nan 8.150 nan 0.000 0.443 356 Q N -0.482 119.397 119.800 0.133 0.000 2.061 356 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 356 Q C 1.992 178.022 176.000 0.051 0.000 0.984 356 Q CA 1.560 57.419 55.803 0.094 0.000 0.846 356 Q CB -0.280 28.518 28.738 0.100 0.000 0.902 356 Q HN 0.593 nan 8.270 nan 0.000 0.421 357 I N 0.114 120.701 120.570 0.029 0.000 2.252 357 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 357 I C 2.340 178.456 176.117 -0.001 0.000 1.102 357 I CA 1.504 62.809 61.300 0.008 0.000 1.385 357 I CB -1.705 36.294 38.000 -0.000 0.000 1.064 357 I HN 0.277 nan 8.210 nan 0.000 0.414 358 G N 1.333 110.093 108.800 -0.066 0.000 2.446 358 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 358 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 358 G C 1.843 176.838 174.900 0.158 0.000 1.168 358 G CA 0.651 45.768 45.100 0.028 0.000 0.771 358 G HN 0.335 nan 8.290 nan 0.000 0.551 359 I N 0.183 120.794 120.570 0.068 0.000 2.202 359 I HA -0.104 4.066 4.170 -0.000 0.000 0.242 359 I C 2.654 178.791 176.117 0.032 0.000 1.091 359 I CA 1.329 62.659 61.300 0.050 0.000 1.368 359 I CB -0.235 37.788 38.000 0.039 0.000 1.058 359 I HN 0.287 nan 8.210 nan 0.000 0.410 360 E N 1.198 121.419 120.200 0.035 0.000 2.070 360 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 360 E C 2.251 178.859 176.600 0.012 0.000 1.004 360 E CA 1.646 58.061 56.400 0.025 0.000 0.805 360 E CB -0.064 29.650 29.700 0.023 0.000 0.744 360 E HN 0.495 nan 8.360 nan 0.000 0.451 361 A N 0.956 123.786 122.820 0.016 0.000 1.902 361 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 361 A C 2.192 179.727 177.584 -0.082 0.000 1.181 361 A CA 1.300 53.331 52.037 -0.010 0.000 0.623 361 A CB -0.641 18.378 19.000 0.032 0.000 0.818 361 A HN 0.421 nan 8.150 nan 0.000 0.443 362 L N -0.603 120.551 121.223 -0.114 0.000 2.072 362 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 362 L C 2.303 179.057 176.870 -0.193 0.000 1.079 362 L CA 1.150 55.818 54.840 -0.286 0.000 0.752 362 L CB -0.200 41.628 42.059 -0.384 0.000 0.906 362 L HN 0.385 nan 8.230 nan 0.000 0.436 363 L N 0.220 121.395 121.223 -0.080 0.000 2.131 363 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 363 L C 2.673 179.586 176.870 0.073 0.000 1.092 363 L CA 1.786 56.622 54.840 -0.006 0.000 0.759 363 L CB -0.605 41.501 42.059 0.079 0.000 0.903 363 L HN 0.424 nan 8.230 nan 0.000 0.435 364 K N -0.122 120.311 120.400 0.056 0.000 2.228 364 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 364 K C 1.733 178.322 176.600 -0.018 0.000 1.051 364 K CA 0.881 57.217 56.287 0.082 0.000 0.960 364 K CB -0.058 32.470 32.500 0.047 0.000 0.743 364 K HN 0.237 nan 8.250 nan 0.000 0.458 365 K N 0.130 120.458 120.400 -0.121 0.000 2.323 365 K HA 0.215 4.535 4.320 -0.000 0.000 0.197 365 K C 0.655 177.082 176.600 -0.289 0.000 1.043 365 K CA 0.442 56.613 56.287 -0.192 0.000 0.997 365 K CB 0.371 32.723 32.500 -0.247 0.000 0.807 365 K HN 0.103 nan 8.250 nan 0.000 0.497 366 M N 0.686 120.100 119.600 -0.310 0.000 3.568 366 M HA 0.161 4.641 4.480 -0.000 0.000 0.386 366 M C -2.321 173.860 176.300 -0.198 0.000 1.765 366 M CA -1.279 53.813 55.300 -0.345 0.000 0.568 366 M CB 1.504 33.774 32.600 -0.550 0.000 1.428 366 M HN -0.190 nan 8.290 nan 0.000 0.493 367 P HA -0.066 nan 4.420 nan 0.000 0.222 367 P C 1.273 178.448 177.300 -0.208 0.000 1.147 367 P CA 1.230 64.112 63.100 -0.363 0.000 0.790 367 P CB 0.124 31.349 31.700 -0.791 0.000 0.780 368 G N -0.414 108.338 108.800 -0.080 0.000 3.371 368 G HA2 0.093 4.053 3.960 -0.000 0.000 0.248 368 G HA3 0.093 4.053 3.960 -0.000 0.000 0.248 368 G C 0.049 174.979 174.900 0.051 0.000 1.161 368 G CA -0.149 44.946 45.100 -0.009 0.000 0.796 368 G HN 0.256 nan 8.290 nan 0.000 0.539 369 V N 0.822 120.759 119.914 0.038 0.000 2.644 369 V HA 0.273 4.393 4.120 -0.000 0.000 0.305 369 V C -0.659 175.462 176.094 0.045 0.000 1.053 369 V CA 0.466 62.806 62.300 0.067 0.000 1.186 369 V CB 1.214 33.026 31.823 -0.018 0.000 0.895 369 V HN 0.304 nan 8.190 nan 0.000 0.490 370 D N 4.117 124.555 120.400 0.065 0.000 2.655 370 D HA 0.333 4.973 4.640 -0.000 0.000 0.229 370 D C -0.690 175.631 176.300 0.036 0.000 1.229 370 D CA -0.593 53.429 54.000 0.037 0.000 0.807 370 D CB 1.649 42.462 40.800 0.022 0.000 1.514 370 D HN 0.579 nan 8.370 nan 0.000 0.444 371 L N 1.539 122.776 121.223 0.024 0.000 2.540 371 L HA 0.246 4.585 4.340 -0.000 0.000 0.276 371 L C 1.270 178.143 176.870 0.005 0.000 1.212 371 L CA 0.116 54.965 54.840 0.016 0.000 0.893 371 L CB 0.840 42.908 42.059 0.016 0.000 1.138 371 L HN 0.634 nan 8.230 nan 0.000 0.491 372 A N 4.412 127.231 122.820 -0.002 0.000 2.308 372 A HA 0.338 4.658 4.320 -0.000 0.000 0.217 372 A C 0.186 177.756 177.584 -0.024 0.000 1.216 372 A CA 0.246 52.271 52.037 -0.021 0.000 0.864 372 A CB -0.029 18.953 19.000 -0.030 0.000 0.902 372 A HN 0.500 nan 8.150 nan 0.000 0.499 373 V N -4.690 115.213 119.914 -0.017 0.000 3.078 373 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 373 V C -3.351 172.740 176.094 -0.006 0.000 1.138 373 V CA -2.824 59.466 62.300 -0.017 0.000 1.007 373 V CB 1.296 33.103 31.823 -0.025 0.000 1.045 373 V HN 0.023 nan 8.190 nan 0.000 0.432 374 P HA 0.212 nan 4.420 nan 0.000 0.265 374 P C 0.772 178.087 177.300 0.025 0.000 1.187 374 P CA 0.079 63.186 63.100 0.013 0.000 0.766 374 P CB 0.516 32.223 31.700 0.013 0.000 0.820 375 I N 2.290 122.887 120.570 0.045 0.000 2.335 375 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 375 I C 1.148 177.327 176.117 0.104 0.000 1.129 375 I CA 1.826 63.173 61.300 0.079 0.000 1.402 375 I CB -0.308 37.752 38.000 0.101 0.000 1.069 375 I HN 0.261 nan 8.210 nan 0.000 0.424 376 D N 0.132 120.583 120.400 0.084 0.000 2.378 376 D HA -0.097 4.543 4.640 -0.000 0.000 0.227 376 D C 1.692 178.032 176.300 0.066 0.000 1.012 376 D CA 0.496 54.553 54.000 0.094 0.000 0.905 376 D CB -0.064 40.778 40.800 0.071 0.000 0.895 376 D HN 0.469 nan 8.370 nan 0.000 0.532 377 Q N -0.160 119.658 119.800 0.030 0.000 2.392 377 Q HA 0.145 4.485 4.340 -0.000 0.000 0.203 377 Q C 0.707 176.674 176.000 -0.054 0.000 0.917 377 Q CA -0.044 55.756 55.803 -0.005 0.000 0.939 377 Q CB 0.649 29.378 28.738 -0.015 0.000 1.063 377 Q HN 0.359 nan 8.270 nan 0.000 0.516 378 L N 0.937 122.109 121.223 -0.084 0.000 2.426 378 L HA 0.134 4.474 4.340 -0.000 0.000 0.271 378 L C 0.045 176.711 176.870 -0.341 0.000 1.169 378 L CA -0.370 54.302 54.840 -0.280 0.000 0.836 378 L CB 0.730 42.511 42.059 -0.463 0.000 1.112 378 L HN -0.229 nan 8.230 nan 0.000 0.465 379 V N 2.071 121.754 119.914 -0.384 0.000 2.333 379 V HA 0.173 4.293 4.120 -0.000 0.000 0.274 379 V C -0.530 175.363 176.094 -0.335 0.000 1.028 379 V CA -0.528 61.630 62.300 -0.237 0.000 0.851 379 V CB 0.609 32.351 31.823 -0.134 0.000 1.000 379 V HN 0.555 nan 8.190 nan 0.000 0.456 380 W N 4.206 125.501 121.300 -0.007 0.000 2.311 380 W HA 0.489 5.149 4.660 -0.000 0.000 0.310 380 W C 0.860 177.369 176.519 -0.016 0.000 1.274 380 W CA -0.497 56.844 57.345 -0.006 0.000 1.215 380 W CB 0.514 29.980 29.460 0.009 0.000 1.227 380 W HN 0.428 nan 8.180 nan 0.000 0.523 381 R N 2.462 123.065 120.500 0.172 0.000 2.522 381 R HA 0.113 4.453 4.340 -0.000 0.000 0.284 381 R C 0.330 176.714 176.300 0.140 0.000 1.032 381 R CA 0.264 56.401 56.100 0.061 0.000 1.049 381 R CB 0.362 30.607 30.300 -0.093 0.000 0.956 381 R HN 0.556 nan 8.270 nan 0.000 0.422 382 T N 1.782 116.395 114.554 0.099 0.000 2.943 382 T HA 0.340 4.690 4.350 -0.000 0.000 0.284 382 T C -0.015 174.761 174.700 0.127 0.000 1.015 382 T CA -0.973 61.193 62.100 0.109 0.000 1.042 382 T CB 1.327 70.240 68.868 0.075 0.000 1.055 382 T HN 0.726 nan 8.240 nan 0.000 0.500 383 R N -0.206 120.363 120.500 0.115 0.000 3.333 383 R HA -0.156 4.184 4.340 -0.000 0.000 0.256 383 R C -1.119 175.303 176.300 0.203 0.000 1.010 383 R CA 0.274 56.439 56.100 0.108 0.000 0.680 383 R CB -2.149 28.194 30.300 0.072 0.000 1.102 383 R HN 0.696 nan 8.270 nan 0.000 0.440 384 F N -0.548 119.407 119.950 0.009 0.000 2.588 384 F HA 0.215 4.742 4.527 -0.000 0.000 0.314 384 F C 1.456 177.258 175.800 0.003 0.000 1.069 384 F CA -0.993 57.015 58.000 0.014 0.000 0.931 384 F CB 1.476 40.492 39.000 0.027 0.000 1.260 384 F HN -0.113 nan 8.300 nan 0.000 0.465 385 Q N 1.599 121.075 119.800 -0.540 0.000 2.435 385 Q HA 0.091 4.431 4.340 -0.000 0.000 0.207 385 Q C -0.119 175.686 176.000 -0.325 0.000 0.956 385 Q CA 0.720 56.299 55.803 -0.373 0.000 0.917 385 Q CB 0.286 28.812 28.738 -0.352 0.000 0.997 385 Q HN 0.222 nan 8.270 nan 0.000 0.497 386 R N 0.151 120.533 120.500 -0.198 0.000 2.807 386 R HA 0.438 4.778 4.340 -0.000 0.000 0.276 386 R C -0.695 175.750 176.300 0.243 0.000 0.979 386 R CA -0.671 55.425 56.100 -0.007 0.000 0.928 386 R CB 1.245 31.554 30.300 0.015 0.000 1.191 386 R HN 0.016 nan 8.270 nan 0.000 0.471 387 R N 2.222 122.832 120.500 0.183 0.000 2.207 387 R HA 0.532 4.872 4.340 -0.000 0.000 0.334 387 R C 0.058 176.577 176.300 0.364 0.000 1.013 387 R CA -0.241 56.010 56.100 0.253 0.000 0.858 387 R CB 0.447 30.820 30.300 0.122 0.000 1.094 387 R HN 0.548 nan 8.270 nan 0.000 0.457 388 I N -0.242 120.588 120.570 0.434 0.000 2.918 388 I HA 0.565 4.735 4.170 -0.000 0.000 0.301 388 I C -2.792 173.361 176.117 0.059 0.000 1.312 388 I CA -3.030 58.451 61.300 0.302 0.000 1.007 388 I CB 2.770 40.844 38.000 0.122 0.000 1.281 388 I HN 0.343 nan 8.210 nan 0.000 0.440 389 P HA 0.255 nan 4.420 nan 0.000 0.282 389 P C -0.242 176.867 177.300 -0.319 0.000 1.249 389 P CA -0.081 62.618 63.100 -0.668 0.000 0.806 389 P CB 1.543 32.720 31.700 -0.872 0.000 0.984 390 E N 1.633 121.664 120.200 -0.281 0.000 2.106 390 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 390 E C 0.472 176.991 176.600 -0.135 0.000 0.984 390 E CA 1.265 57.561 56.400 -0.173 0.000 0.806 390 E CB 0.180 29.793 29.700 -0.144 0.000 0.750 390 E HN 0.516 nan 8.360 nan 0.000 0.458 391 R N -0.285 120.119 120.500 -0.159 0.000 2.795 391 R HA 0.444 4.784 4.340 -0.000 0.000 0.275 391 R C -0.952 175.263 176.300 -0.141 0.000 0.981 391 R CA -0.804 55.228 56.100 -0.114 0.000 0.917 391 R CB 1.612 31.860 30.300 -0.085 0.000 1.202 391 R HN -0.116 nan 8.270 nan 0.000 0.469 392 L N 3.410 124.580 121.223 -0.088 0.000 2.495 392 L HA 0.434 4.774 4.340 -0.000 0.000 0.248 392 L C -2.620 174.232 176.870 -0.029 0.000 1.229 392 L CA -2.303 52.492 54.840 -0.074 0.000 0.942 392 L CB 1.091 43.119 42.059 -0.052 0.000 1.242 392 L HN 0.406 nan 8.230 nan 0.000 0.484 393 P HA 0.318 nan 4.420 nan 0.000 0.282 393 P C -0.789 176.522 177.300 0.018 0.000 1.262 393 P CA 0.020 63.119 63.100 -0.002 0.000 0.773 393 P CB 1.390 33.078 31.700 -0.019 0.000 0.879 394 V N 2.115 122.068 119.914 0.065 0.000 3.040 394 V HA 0.798 4.917 4.120 -0.000 0.000 0.312 394 V C -0.452 175.730 176.094 0.148 0.000 1.115 394 V CA -1.144 61.217 62.300 0.101 0.000 0.998 394 V CB 1.673 33.568 31.823 0.119 0.000 1.042 394 V HN 0.379 nan 8.190 nan 0.000 0.433 395 L N 0.376 121.663 121.223 0.105 0.000 2.235 395 L HA 1.111 5.451 4.340 -0.000 0.000 0.260 395 L C -0.447 176.539 176.870 0.193 0.000 1.025 395 L CA -0.549 54.273 54.840 -0.029 0.000 0.836 395 L CB 1.407 43.352 42.059 -0.191 0.000 1.395 395 L HN 1.109 nan 8.230 nan 0.000 0.443 396 W N 0.000 121.261 121.300 -0.066 0.000 2.388 396 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 396 W CA 0.000 57.300 57.345 -0.075 0.000 1.226 396 W CB 0.000 29.404 29.460 -0.093 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535