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 2xfq_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.475 175.510 -0.058 0.000 1.280 3 N CA 0.000 52.907 53.050 -0.239 0.000 0.885 3 N CB 0.000 38.400 38.487 -0.144 0.000 1.341 4 K N 0.488 120.882 120.400 -0.009 0.000 2.159 4 K HA 0.659 4.979 4.320 -0.000 0.000 0.266 4 K C -0.688 175.943 176.600 0.051 0.000 0.975 4 K CA -0.616 55.684 56.287 0.022 0.000 0.865 4 K CB 1.766 34.269 32.500 0.004 0.000 1.087 4 K HN 0.623 nan 8.250 nan 0.000 0.446 5 C N -1.167 118.170 119.300 0.061 0.000 3.314 5 C HA 0.369 4.829 4.460 -0.000 0.000 0.344 5 C C 0.560 175.584 174.990 0.057 0.000 1.461 5 C CA -0.803 58.254 59.018 0.065 0.000 1.249 5 C CB 0.808 28.602 27.740 0.090 0.000 1.632 5 C HN 0.809 nan 8.230 nan 0.000 0.452 6 D N 0.382 120.819 120.400 0.061 0.000 2.120 6 D HA 0.123 4.763 4.640 -0.000 0.000 0.202 6 D C 0.417 176.782 176.300 0.107 0.000 0.972 6 D CA 1.647 55.692 54.000 0.076 0.000 0.837 6 D CB 0.146 40.990 40.800 0.073 0.000 0.989 6 D HN 0.504 nan 8.370 nan 0.000 0.469 7 V N 1.403 121.372 119.914 0.092 0.000 2.623 7 V HA 0.244 4.364 4.120 -0.000 0.000 0.304 7 V C -0.183 175.947 176.094 0.061 0.000 1.054 7 V CA -0.861 61.497 62.300 0.097 0.000 0.882 7 V CB 2.795 34.664 31.823 0.077 0.000 1.002 7 V HN -0.243 nan 8.190 nan 0.000 0.424 8 V N 5.384 125.331 119.914 0.054 0.000 2.432 8 V HA 0.376 4.496 4.120 -0.000 0.000 0.275 8 V C -0.020 176.074 176.094 -0.001 0.000 1.043 8 V CA -0.361 61.945 62.300 0.009 0.000 0.925 8 V CB 1.817 33.641 31.823 0.002 0.000 0.985 8 V HN 0.640 nan 8.190 nan 0.000 0.466 9 V N 6.375 126.273 119.914 -0.026 0.000 2.350 9 V HA 0.313 4.433 4.120 -0.000 0.000 0.276 9 V C 0.026 176.096 176.094 -0.040 0.000 1.028 9 V CA -0.571 61.717 62.300 -0.020 0.000 0.860 9 V CB 1.703 33.516 31.823 -0.016 0.000 0.990 9 V HN 0.599 nan 8.190 nan 0.000 0.453 10 V N 4.649 124.551 119.914 -0.020 0.000 2.368 10 V HA 0.784 4.904 4.120 -0.000 0.000 0.266 10 V C 0.719 176.813 176.094 0.001 0.000 1.045 10 V CA 0.445 62.731 62.300 -0.023 0.000 0.899 10 V CB 0.418 32.243 31.823 0.003 0.000 1.006 10 V HN 1.266 nan 8.190 nan 0.000 0.470 11 G N 3.647 112.433 108.800 -0.023 0.000 3.367 11 G HA2 0.175 4.135 3.960 -0.000 0.000 0.686 11 G HA3 0.175 4.135 3.960 -0.000 0.000 0.686 11 G C 0.055 174.953 174.900 -0.003 0.000 1.146 11 G CA -0.523 44.576 45.100 -0.001 0.000 0.913 11 G HN 1.238 nan 8.290 nan 0.000 0.554 12 G N 0.918 109.713 108.800 -0.008 0.000 4.294 12 G HA2 0.689 4.649 3.960 -0.000 0.000 0.301 12 G HA3 0.689 4.649 3.960 -0.000 0.000 0.301 12 G C 0.859 175.773 174.900 0.023 0.000 1.321 12 G CA 0.897 45.995 45.100 -0.003 0.000 1.190 12 G HN 1.270 nan 8.290 nan 0.000 0.600 13 G N -0.112 108.713 108.800 0.043 0.000 2.508 13 G HA2 0.358 4.318 3.960 -0.000 0.000 0.278 13 G HA3 0.358 4.318 3.960 -0.000 0.000 0.278 13 G C 1.169 176.096 174.900 0.045 0.000 1.389 13 G CA -0.772 44.364 45.100 0.059 0.000 1.050 13 G HN 0.152 nan 8.290 nan 0.000 0.522 14 I N -0.561 120.039 120.570 0.050 0.000 2.264 14 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 14 I C 3.012 179.154 176.117 0.042 0.000 1.111 14 I CA 1.599 62.922 61.300 0.038 0.000 1.382 14 I CB -0.044 37.983 38.000 0.044 0.000 1.060 14 I HN 0.460 nan 8.210 nan 0.000 0.418 15 S N 0.428 116.165 115.700 0.062 0.000 2.355 15 S HA -0.110 4.360 4.470 -0.000 0.000 0.222 15 S C 2.119 176.747 174.600 0.046 0.000 1.031 15 S CA 1.532 59.772 58.200 0.066 0.000 0.993 15 S CB -0.575 62.683 63.200 0.097 0.000 0.859 15 S HN 0.563 nan 8.310 nan 0.000 0.453 16 G N 1.609 110.435 108.800 0.043 0.000 2.418 16 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 16 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 16 G C 1.458 176.362 174.900 0.006 0.000 1.158 16 G CA 0.987 46.101 45.100 0.024 0.000 0.771 16 G HN 0.384 nan 8.290 nan 0.000 0.545 17 M N 1.311 120.912 119.600 0.003 0.000 2.086 17 M HA 0.048 4.528 4.480 -0.000 0.000 0.261 17 M C 3.031 179.323 176.300 -0.012 0.000 1.067 17 M CA 1.280 56.572 55.300 -0.013 0.000 1.116 17 M CB -1.454 31.136 32.600 -0.017 0.000 1.348 17 M HN 0.311 nan 8.290 nan 0.000 0.407 18 A N 0.223 123.042 122.820 -0.002 0.000 1.908 18 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 18 A C 2.460 180.043 177.584 -0.002 0.000 1.181 18 A CA 2.368 54.404 52.037 -0.001 0.000 0.627 18 A CB -0.999 18.007 19.000 0.010 0.000 0.818 18 A HN 0.488 nan 8.150 nan 0.000 0.445 19 A N -0.148 122.672 122.820 -0.000 0.000 1.877 19 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 19 A C 2.545 180.124 177.584 -0.007 0.000 1.186 19 A CA 2.284 54.315 52.037 -0.009 0.000 0.620 19 A CB -1.133 17.864 19.000 -0.006 0.000 0.822 19 A HN 1.114 nan 8.150 nan 0.000 0.443 20 A N -0.314 122.504 122.820 -0.004 0.000 1.902 20 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 20 A C 2.149 179.746 177.584 0.021 0.000 1.181 20 A CA 2.091 54.129 52.037 0.002 0.000 0.623 20 A CB -0.479 18.510 19.000 -0.018 0.000 0.818 20 A HN 0.579 nan 8.150 nan 0.000 0.443 21 K N -0.464 119.938 120.400 0.003 0.000 2.026 21 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 21 K C 2.006 178.643 176.600 0.062 0.000 1.048 21 K CA 1.490 57.789 56.287 0.020 0.000 0.929 21 K CB -0.317 32.179 32.500 -0.007 0.000 0.713 21 K HN 0.452 nan 8.250 nan 0.000 0.439 22 L N 1.185 122.424 121.223 0.027 0.000 1.989 22 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 22 L C 2.220 179.101 176.870 0.018 0.000 1.071 22 L CA 1.298 56.147 54.840 0.014 0.000 0.749 22 L CB -0.212 41.840 42.059 -0.012 0.000 0.890 22 L HN 0.256 nan 8.230 nan 0.000 0.431 23 L N -1.015 120.219 121.223 0.017 0.000 2.017 23 L HA -0.293 4.047 4.340 -0.000 0.000 0.208 23 L C 2.617 179.513 176.870 0.044 0.000 1.073 23 L CA 1.707 56.554 54.840 0.011 0.000 0.745 23 L CB -0.944 41.118 42.059 0.004 0.000 0.894 23 L HN 0.440 nan 8.230 nan 0.000 0.432 24 H N 0.299 119.358 119.070 -0.019 0.000 2.319 24 H HA -0.209 4.347 4.556 -0.000 0.000 0.299 24 H C 1.824 177.145 175.328 -0.013 0.000 1.092 24 H CA 2.114 58.155 56.048 -0.012 0.000 1.302 24 H CB 0.012 29.767 29.762 -0.011 0.000 1.373 24 H HN 0.242 nan 8.280 nan 0.000 0.497 25 D N -0.433 119.994 120.400 0.046 0.000 2.218 25 D HA -0.102 4.538 4.640 -0.000 0.000 0.204 25 D C 1.942 178.201 176.300 -0.068 0.000 0.976 25 D CA 1.159 55.146 54.000 -0.023 0.000 0.853 25 D CB -0.264 40.557 40.800 0.036 0.000 0.939 25 D HN 0.333 nan 8.370 nan 0.000 0.481 26 S N -1.087 114.581 115.700 -0.053 0.000 2.561 26 S HA 0.193 4.663 4.470 -0.000 0.000 0.225 26 S C 1.621 176.179 174.600 -0.071 0.000 0.977 26 S CA 0.695 58.863 58.200 -0.053 0.000 0.926 26 S CB 0.431 63.607 63.200 -0.041 0.000 0.769 26 S HN 0.482 nan 8.310 nan 0.000 0.533 27 G N 0.732 109.463 108.800 -0.114 0.000 2.176 27 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.232 27 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.232 27 G C 0.004 174.863 174.900 -0.070 0.000 0.986 27 G CA -0.247 44.788 45.100 -0.108 0.000 0.643 27 G HN 0.425 nan 8.290 nan 0.000 0.522 28 L N 0.747 121.942 121.223 -0.047 0.000 2.418 28 L HA 0.397 4.737 4.340 -0.000 0.000 0.265 28 L C 0.220 177.099 176.870 0.015 0.000 1.143 28 L CA -0.975 53.861 54.840 -0.007 0.000 0.809 28 L CB 0.527 42.589 42.059 0.006 0.000 1.124 28 L HN 0.021 nan 8.230 nan 0.000 0.456 29 N N 1.985 120.706 118.700 0.034 0.000 2.411 29 N HA 0.279 5.019 4.740 -0.000 0.000 0.259 29 N C -0.649 174.903 175.510 0.070 0.000 1.103 29 N CA -0.096 52.989 53.050 0.059 0.000 0.954 29 N CB 1.737 40.254 38.487 0.051 0.000 1.085 29 N HN 0.372 nan 8.380 nan 0.000 0.485 30 V N 0.101 120.067 119.914 0.086 0.000 2.715 30 V HA 0.704 4.824 4.120 -0.000 0.000 0.310 30 V C -0.131 175.992 176.094 0.048 0.000 1.054 30 V CA -0.759 61.579 62.300 0.063 0.000 0.928 30 V CB 1.911 33.769 31.823 0.058 0.000 1.007 30 V HN 0.170 nan 8.190 nan 0.000 0.437 31 V N 4.022 123.950 119.914 0.024 0.000 2.604 31 V HA 0.550 4.670 4.120 -0.000 0.000 0.305 31 V C -0.264 175.788 176.094 -0.070 0.000 1.043 31 V CA -0.545 61.744 62.300 -0.018 0.000 0.888 31 V CB 2.020 33.839 31.823 -0.006 0.000 0.995 31 V HN 0.830 nan 8.190 nan 0.000 0.429 32 V N 6.198 126.059 119.914 -0.089 0.000 2.370 32 V HA 0.447 4.567 4.120 -0.000 0.000 0.283 32 V C -0.207 175.795 176.094 -0.153 0.000 1.023 32 V CA -0.439 61.803 62.300 -0.098 0.000 0.857 32 V CB 1.470 33.252 31.823 -0.067 0.000 0.985 32 V HN 0.615 nan 8.190 nan 0.000 0.443 33 L N 4.539 125.654 121.223 -0.180 0.000 2.265 33 L HA 0.590 4.930 4.340 -0.000 0.000 0.289 33 L C -0.123 176.656 176.870 -0.151 0.000 1.033 33 L CA -0.358 54.350 54.840 -0.220 0.000 0.814 33 L CB 1.361 43.245 42.059 -0.292 0.000 1.203 33 L HN 0.600 nan 8.230 nan 0.000 0.423 34 E N 2.406 122.521 120.200 -0.142 0.000 2.145 34 E HA 0.455 4.805 4.350 -0.000 0.000 0.270 34 E C 0.458 176.943 176.600 -0.193 0.000 0.906 34 E CA -0.309 56.011 56.400 -0.134 0.000 0.761 34 E CB 1.985 31.631 29.700 -0.089 0.000 1.116 34 E HN 0.567 nan 8.360 nan 0.000 0.408 35 A N 5.625 128.263 122.820 -0.302 0.000 1.917 35 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 35 A C 1.136 178.482 177.584 -0.396 0.000 1.182 35 A CA 1.215 52.933 52.037 -0.531 0.000 0.633 35 A CB -0.242 17.992 19.000 -1.278 0.000 0.819 35 A HN 0.616 nan 8.150 nan 0.000 0.448 36 R N -0.318 120.026 120.500 -0.260 0.000 2.580 36 R HA 0.238 4.578 4.340 -0.000 0.000 0.267 36 R C 0.254 176.507 176.300 -0.078 0.000 1.125 36 R CA 0.141 56.167 56.100 -0.123 0.000 1.188 36 R CB 0.160 30.426 30.300 -0.057 0.000 1.155 36 R HN 0.488 nan 8.270 nan 0.000 0.586 37 D N 0.430 120.804 120.400 -0.044 0.000 2.324 37 D HA -0.045 4.595 4.640 -0.000 0.000 0.235 37 D C -0.015 176.279 176.300 -0.010 0.000 1.095 37 D CA 0.187 54.172 54.000 -0.025 0.000 0.871 37 D CB -0.017 40.775 40.800 -0.014 0.000 0.906 37 D HN 0.430 nan 8.370 nan 0.000 0.522 38 R N -1.178 119.316 120.500 -0.009 0.000 2.764 38 R HA 0.599 4.939 4.340 -0.000 0.000 0.270 38 R C -0.651 175.662 176.300 0.022 0.000 1.014 38 R CA -1.107 55.005 56.100 0.021 0.000 0.904 38 R CB 1.266 31.599 30.300 0.054 0.000 1.236 38 R HN -0.096 nan 8.270 nan 0.000 0.466 39 V N -1.826 118.112 119.914 0.040 0.000 3.234 39 V HA 0.862 4.982 4.120 -0.000 0.000 0.317 39 V C 0.881 177.029 176.094 0.089 0.000 1.081 39 V CA 0.407 62.732 62.300 0.042 0.000 1.037 39 V CB 0.796 32.631 31.823 0.019 0.000 1.148 39 V HN 1.189 nan 8.190 nan 0.000 0.453 40 G N -0.750 108.102 108.800 0.088 0.000 2.339 40 G HA2 0.133 4.093 3.960 -0.000 0.000 0.209 40 G HA3 0.133 4.093 3.960 -0.000 0.000 0.209 40 G C 1.636 176.626 174.900 0.149 0.000 1.015 40 G CA 0.785 45.960 45.100 0.125 0.000 0.635 40 G HN 2.603 nan 8.290 nan 0.000 0.499 41 G N 0.673 109.572 108.800 0.166 0.000 2.646 41 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.324 41 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.324 41 G C 1.020 176.093 174.900 0.288 0.000 1.195 41 G CA 1.612 46.832 45.100 0.200 0.000 0.976 41 G HN 1.198 nan 8.290 nan 0.000 0.546 42 R N 1.787 122.353 120.500 0.111 0.000 2.323 42 R HA 0.201 4.541 4.340 -0.000 0.000 0.198 42 R C 1.149 177.330 176.300 -0.200 0.000 0.988 42 R CA 1.075 57.042 56.100 -0.222 0.000 1.041 42 R CB -0.173 29.974 30.300 -0.256 0.000 0.926 42 R HN 0.708 nan 8.270 nan 0.000 0.476 43 T N -2.314 112.287 114.554 0.079 0.000 2.867 43 T HA 0.332 4.682 4.350 -0.000 0.000 0.282 43 T C -0.928 174.012 174.700 0.400 0.000 1.000 43 T CA -0.607 61.595 62.100 0.171 0.000 1.042 43 T CB 1.553 70.491 68.868 0.116 0.000 0.973 43 T HN 0.090 nan 8.240 nan 0.000 0.465 44 Y N 1.315 121.781 120.300 0.276 0.000 2.298 44 Y HA 0.425 4.975 4.550 -0.000 0.000 0.322 44 Y C -1.097 174.922 175.900 0.198 0.000 1.138 44 Y CA -0.931 57.327 58.100 0.263 0.000 1.127 44 Y CB 1.538 40.215 38.460 0.362 0.000 1.178 44 Y HN 0.879 nan 8.280 nan 0.000 0.428 45 T N 7.779 122.190 114.554 -0.237 0.000 2.743 45 T HA 0.402 4.752 4.350 -0.000 0.000 0.292 45 T C -0.807 173.590 174.700 -0.505 0.000 0.972 45 T CA -0.372 61.573 62.100 -0.258 0.000 0.967 45 T CB 0.532 69.359 68.868 -0.068 0.000 0.926 45 T HN 0.556 nan 8.240 nan 0.000 0.459 46 L N 4.512 125.450 121.223 -0.475 0.000 2.312 46 L HA 0.588 4.928 4.340 -0.000 0.000 0.281 46 L C -0.100 176.701 176.870 -0.115 0.000 1.070 46 L CA -0.138 54.495 54.840 -0.345 0.000 0.805 46 L CB 0.563 42.478 42.059 -0.240 0.000 1.174 46 L HN 0.490 nan 8.230 nan 0.000 0.434 47 R N 3.540 123.995 120.500 -0.075 0.000 2.494 47 R HA 0.639 4.979 4.340 -0.000 0.000 0.305 47 R C -1.101 175.174 176.300 -0.042 0.000 0.959 47 R CA -0.557 55.522 56.100 -0.035 0.000 0.864 47 R CB 1.308 31.600 30.300 -0.013 0.000 1.159 47 R HN 0.914 nan 8.270 nan 0.000 0.446 48 N N -1.086 117.571 118.700 -0.072 0.000 3.116 48 N HA -0.027 4.713 4.740 -0.000 0.000 0.244 48 N C -0.269 175.170 175.510 -0.118 0.000 1.485 48 N CA -0.957 52.045 53.050 -0.081 0.000 0.884 48 N CB 0.796 39.236 38.487 -0.078 0.000 1.415 48 N HN 0.391 nan 8.380 nan 0.000 0.524 49 Q N -0.412 119.329 119.800 -0.099 0.000 2.230 49 Q HA 0.003 4.343 4.340 -0.000 0.000 0.202 49 Q C 0.489 176.444 176.000 -0.075 0.000 0.963 49 Q CA 1.042 56.808 55.803 -0.063 0.000 0.866 49 Q CB 0.080 28.794 28.738 -0.040 0.000 0.931 49 Q HN 0.519 nan 8.270 nan 0.000 0.452 50 K N 0.109 120.368 120.400 -0.236 0.000 2.103 50 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 50 K C 2.033 178.431 176.600 -0.336 0.000 1.052 50 K CA 1.442 57.498 56.287 -0.385 0.000 0.945 50 K CB 0.125 32.044 32.500 -0.968 0.000 0.722 50 K HN 0.315 nan 8.250 nan 0.000 0.443 51 V N -2.673 116.988 119.914 -0.421 0.000 3.621 51 V HA 0.193 4.313 4.120 -0.000 0.000 0.263 51 V C 1.460 177.131 176.094 -0.706 0.000 1.272 51 V CA 0.692 62.692 62.300 -0.500 0.000 1.080 51 V CB 0.136 31.707 31.823 -0.419 0.000 0.816 51 V HN 0.295 nan 8.190 nan 0.000 0.451 52 K N 0.574 120.627 120.400 -0.578 0.000 10.883 52 K HA -0.302 4.018 4.320 -0.000 0.000 0.526 52 K C 0.120 176.615 176.600 -0.176 0.000 0.382 52 K CA 2.404 58.404 56.287 -0.477 0.000 1.943 52 K CB -1.485 30.529 32.500 -0.808 0.000 0.766 52 K HN 0.908 nan 8.250 nan 0.000 1.214 53 Y N -1.637 118.508 120.300 -0.257 0.000 2.534 53 Y HA 0.748 5.298 4.550 -0.000 0.000 0.345 53 Y C -1.109 174.748 175.900 -0.072 0.000 1.031 53 Y CA -0.818 57.198 58.100 -0.140 0.000 1.022 53 Y CB 2.119 40.518 38.460 -0.103 0.000 1.292 53 Y HN 0.006 nan 8.280 nan 0.000 0.459 54 V N 2.291 122.245 119.914 0.066 0.000 2.851 54 V HA 0.384 4.504 4.120 -0.000 0.000 0.307 54 V C -1.532 174.611 176.094 0.082 0.000 1.129 54 V CA -0.627 61.715 62.300 0.069 0.000 0.932 54 V CB 1.986 33.879 31.823 0.116 0.000 1.024 54 V HN 0.921 nan 8.190 nan 0.000 0.426 55 D N 5.289 125.752 120.400 0.104 0.000 2.339 55 D HA 0.311 4.951 4.640 -0.000 0.000 0.256 55 D C 0.755 177.132 176.300 0.129 0.000 1.214 55 D CA 0.276 54.330 54.000 0.089 0.000 0.877 55 D CB 1.769 42.597 40.800 0.046 0.000 1.111 55 D HN 0.520 nan 8.370 nan 0.000 0.478 56 L N 1.512 122.866 121.223 0.218 0.000 2.616 56 L HA 0.262 4.602 4.340 -0.000 0.000 0.229 56 L C 1.447 178.714 176.870 0.662 0.000 1.110 56 L CA -0.051 55.020 54.840 0.384 0.000 0.884 56 L CB 0.461 42.757 42.059 0.395 0.000 1.115 56 L HN 0.346 nan 8.230 nan 0.000 0.481 57 G N -0.809 108.288 108.800 0.494 0.000 3.302 57 G HA2 0.431 4.391 3.960 -0.000 0.000 0.170 57 G HA3 0.431 4.391 3.960 -0.000 0.000 0.170 57 G C -0.184 174.728 174.900 0.019 0.000 1.119 57 G CA -0.054 45.153 45.100 0.177 0.000 0.826 57 G HN 0.047 nan 8.290 nan 0.000 0.646 58 G N -0.632 108.106 108.800 -0.104 0.000 2.321 58 G HA2 0.366 4.326 3.960 -0.000 0.000 0.237 58 G HA3 0.366 4.326 3.960 -0.000 0.000 0.237 58 G C 0.554 175.425 174.900 -0.048 0.000 1.282 58 G CA 1.031 46.082 45.100 -0.082 0.000 0.886 58 G HN 0.964 nan 8.290 nan 0.000 0.528 59 S N 1.226 116.843 115.700 -0.139 0.000 3.640 59 S HA 0.173 4.643 4.470 -0.000 0.000 0.246 59 S C 0.065 174.401 174.600 -0.439 0.000 1.133 59 S CA -0.334 57.681 58.200 -0.308 0.000 0.882 59 S CB -0.113 62.765 63.200 -0.536 0.000 1.015 59 S HN 0.484 nan 8.310 nan 0.000 0.469 60 Y N 3.040 123.287 120.300 -0.087 0.000 2.319 60 Y HA 0.522 5.072 4.550 -0.000 0.000 0.328 60 Y C 0.305 176.068 175.900 -0.228 0.000 1.133 60 Y CA -0.264 57.738 58.100 -0.162 0.000 1.265 60 Y CB 1.146 39.556 38.460 -0.083 0.000 1.218 60 Y HN 0.161 nan 8.280 nan 0.000 0.508 61 V N -0.155 119.635 119.914 -0.207 0.000 3.040 61 V HA 1.098 5.218 4.120 -0.000 0.000 0.312 61 V C -0.307 175.604 176.094 -0.305 0.000 1.115 61 V CA -0.565 61.541 62.300 -0.323 0.000 0.998 61 V CB 1.702 33.259 31.823 -0.443 0.000 1.042 61 V HN 0.929 nan 8.190 nan 0.000 0.433 62 G N 0.483 109.058 108.800 -0.375 0.000 2.645 62 G HA2 0.744 4.704 3.960 -0.000 0.000 0.292 62 G HA3 0.744 4.704 3.960 -0.000 0.000 0.292 62 G C -3.457 171.278 174.900 -0.274 0.000 1.415 62 G CA -1.344 43.583 45.100 -0.288 0.000 0.785 62 G HN 0.690 nan 8.290 nan 0.000 0.483 63 P HA 0.143 nan 4.420 nan 0.000 0.266 63 P C 0.776 178.054 177.300 -0.037 0.000 1.195 63 P CA 1.823 64.875 63.100 -0.079 0.000 0.768 63 P CB 0.840 32.523 31.700 -0.028 0.000 0.838 64 T N -1.555 113.005 114.554 0.011 0.000 5.979 64 T HA -0.249 4.101 4.350 -0.000 0.000 0.273 64 T C 0.235 174.948 174.700 0.022 0.000 2.195 64 T CA 0.914 63.094 62.100 0.134 0.000 3.693 64 T CB -2.739 66.336 68.868 0.346 0.000 0.944 64 T HN 0.582 nan 8.240 nan 0.000 1.117 65 Q N 1.212 120.857 119.800 -0.259 0.000 3.135 65 Q HA 0.375 4.715 4.340 -0.000 0.000 0.344 65 Q C 0.928 176.827 176.000 -0.169 0.000 1.321 65 Q CA -0.506 55.048 55.803 -0.415 0.000 1.050 65 Q CB 0.226 28.533 28.738 -0.718 0.000 1.498 65 Q HN 0.483 nan 8.270 nan 0.000 0.503 66 N N 0.945 119.615 118.700 -0.050 0.000 2.270 66 N HA -0.095 4.645 4.740 -0.000 0.000 0.181 66 N C 1.285 176.803 175.510 0.013 0.000 1.016 66 N CA 0.937 53.986 53.050 -0.002 0.000 0.870 66 N CB 0.220 38.731 38.487 0.039 0.000 0.979 66 N HN 0.390 nan 8.380 nan 0.000 0.431 67 R N 0.499 121.011 120.500 0.021 0.000 2.066 67 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 67 R C 2.085 178.399 176.300 0.024 0.000 1.131 67 R CA 0.788 56.907 56.100 0.032 0.000 0.955 67 R CB -0.385 29.947 30.300 0.053 0.000 0.851 67 R HN 0.114 nan 8.270 nan 0.000 0.432 68 I N 1.215 121.793 120.570 0.014 0.000 2.315 68 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 68 I C 1.832 178.009 176.117 0.101 0.000 1.117 68 I CA 1.323 62.653 61.300 0.051 0.000 1.404 68 I CB -0.042 37.995 38.000 0.062 0.000 1.071 68 I HN 0.090 nan 8.210 nan 0.000 0.419 69 L N 0.284 121.551 121.223 0.074 0.000 2.046 69 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 69 L C 2.770 179.680 176.870 0.066 0.000 1.077 69 L CA 1.498 56.397 54.840 0.098 0.000 0.747 69 L CB -0.911 41.165 42.059 0.027 0.000 0.896 69 L HN 0.277 nan 8.230 nan 0.000 0.432 70 R N 0.747 121.268 120.500 0.035 0.000 2.066 70 R HA -0.189 4.151 4.340 -0.000 0.000 0.232 70 R C 2.323 178.627 176.300 0.007 0.000 1.131 70 R CA 1.687 57.800 56.100 0.022 0.000 0.955 70 R CB -0.659 29.653 30.300 0.020 0.000 0.851 70 R HN 0.243 nan 8.270 nan 0.000 0.432 71 L N 1.239 122.463 121.223 0.001 0.000 2.012 71 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 71 L C 2.456 179.287 176.870 -0.065 0.000 1.073 71 L CA 2.424 57.249 54.840 -0.025 0.000 0.748 71 L CB -0.927 41.118 42.059 -0.023 0.000 0.891 71 L HN 0.263 nan 8.230 nan 0.000 0.431 72 A N -0.680 122.085 122.820 -0.092 0.000 1.877 72 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 72 A C 2.470 179.988 177.584 -0.110 0.000 1.186 72 A CA 2.032 53.942 52.037 -0.212 0.000 0.620 72 A CB -0.692 18.094 19.000 -0.356 0.000 0.822 72 A HN 0.522 nan 8.150 nan 0.000 0.443 73 K N -0.318 120.069 120.400 -0.022 0.000 2.032 73 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 73 K C 2.080 178.668 176.600 -0.020 0.000 1.048 73 K CA 1.825 58.111 56.287 -0.001 0.000 0.927 73 K CB -0.206 32.307 32.500 0.023 0.000 0.712 73 K HN 0.624 nan 8.250 nan 0.000 0.441 74 E N 0.445 120.632 120.200 -0.023 0.000 2.160 74 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 74 E C 1.688 178.266 176.600 -0.037 0.000 0.991 74 E CA 1.007 57.392 56.400 -0.023 0.000 0.810 74 E CB -0.006 29.683 29.700 -0.018 0.000 0.742 74 E HN 0.362 nan 8.360 nan 0.000 0.466 75 L N -0.761 120.424 121.223 -0.063 0.000 2.610 75 L HA 0.138 4.478 4.340 -0.000 0.000 0.232 75 L C 1.434 178.259 176.870 -0.075 0.000 1.149 75 L CA 0.475 55.268 54.840 -0.077 0.000 0.872 75 L CB 0.104 42.095 42.059 -0.113 0.000 0.992 75 L HN 0.396 nan 8.230 nan 0.000 0.447 76 G N 0.028 108.792 108.800 -0.060 0.000 2.141 76 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.231 76 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.231 76 G C 0.167 175.037 174.900 -0.051 0.000 0.984 76 G CA -0.319 44.754 45.100 -0.046 0.000 0.660 76 G HN 0.199 nan 8.290 nan 0.000 0.525 77 L N -0.406 120.770 121.223 -0.079 0.000 2.439 77 L HA 0.817 5.157 4.340 -0.000 0.000 0.261 77 L C 0.544 177.441 176.870 0.044 0.000 1.153 77 L CA -0.581 54.217 54.840 -0.070 0.000 0.808 77 L CB 1.209 43.119 42.059 -0.248 0.000 1.126 77 L HN 0.191 nan 8.230 nan 0.000 0.460 78 E N -0.423 119.851 120.200 0.124 0.000 2.343 78 E HA 0.442 4.792 4.350 -0.000 0.000 0.270 78 E C -0.989 175.765 176.600 0.256 0.000 0.895 78 E CA -0.524 55.973 56.400 0.162 0.000 0.767 78 E CB 2.187 31.951 29.700 0.108 0.000 1.248 78 E HN 0.658 nan 8.360 nan 0.000 0.440 79 T N -0.845 113.814 114.554 0.174 0.000 2.952 79 T HA 0.691 5.041 4.350 -0.000 0.000 0.286 79 T C -0.776 174.012 174.700 0.146 0.000 1.024 79 T CA -0.646 61.500 62.100 0.076 0.000 1.029 79 T CB 0.707 69.509 68.868 -0.109 0.000 1.094 79 T HN 0.475 nan 8.240 nan 0.000 0.515 80 Y N -1.475 118.826 120.300 0.002 0.000 2.609 80 Y HA 0.734 5.284 4.550 0.000 0.000 0.342 80 Y C -0.768 175.134 175.900 0.002 0.000 1.058 80 Y CA -1.554 56.556 58.100 0.017 0.000 1.055 80 Y CB 1.407 39.898 38.460 0.051 0.000 1.292 80 Y HN 0.612 nan 8.280 nan 0.000 0.476 81 K N 2.161 122.616 120.400 0.091 0.000 2.234 81 K HA 0.432 4.752 4.320 -0.000 0.000 0.282 81 K C -0.853 175.781 176.600 0.057 0.000 1.039 81 K CA -0.766 55.525 56.287 0.005 0.000 0.928 81 K CB 1.636 34.169 32.500 0.055 0.000 1.039 81 K HN 0.583 nan 8.250 nan 0.000 0.470 82 V N 3.227 123.120 119.914 -0.034 0.000 2.673 82 V HA -0.111 4.009 4.120 -0.000 0.000 0.303 82 V C 0.576 176.714 176.094 0.073 0.000 1.046 82 V CA -0.167 62.163 62.300 0.051 0.000 1.126 82 V CB 0.296 32.134 31.823 0.026 0.000 0.934 82 V HN 0.727 nan 8.190 nan 0.000 0.487 83 N N 3.841 122.608 118.700 0.111 0.000 2.427 83 N HA 0.014 4.754 4.740 -0.000 0.000 0.269 83 N C 0.296 175.827 175.510 0.035 0.000 1.235 83 N CA 0.483 53.587 53.050 0.090 0.000 0.934 83 N CB 0.264 38.830 38.487 0.131 0.000 1.121 83 N HN 0.812 nan 8.380 nan 0.000 0.480 84 E N 3.004 123.213 120.200 0.016 0.000 2.968 84 E HA 0.104 4.454 4.350 -0.000 0.000 0.202 84 E C 0.416 177.009 176.600 -0.012 0.000 0.979 84 E CA -0.051 56.339 56.400 -0.017 0.000 1.192 84 E CB 0.340 30.015 29.700 -0.041 0.000 1.059 84 E HN 0.452 nan 8.360 nan 0.000 0.470 85 V N 0.539 120.459 119.914 0.010 0.000 2.307 85 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 85 V C 0.988 177.084 176.094 0.003 0.000 1.045 85 V CA 1.622 63.927 62.300 0.008 0.000 1.024 85 V CB -0.136 31.696 31.823 0.015 0.000 0.651 85 V HN 0.244 nan 8.190 nan 0.000 0.449 86 E N -0.688 119.521 120.200 0.016 0.000 3.099 86 E HA 0.391 4.741 4.350 -0.000 0.000 0.259 86 E C 0.210 176.817 176.600 0.012 0.000 1.274 86 E CA -0.624 55.790 56.400 0.024 0.000 1.111 86 E CB 0.248 29.979 29.700 0.052 0.000 1.327 86 E HN 0.314 nan 8.360 nan 0.000 0.652 87 R N 0.182 120.715 120.500 0.056 0.000 2.490 87 R HA 0.307 4.647 4.340 -0.000 0.000 0.278 87 R C -0.466 175.792 176.300 -0.071 0.000 1.069 87 R CA -0.589 55.517 56.100 0.010 0.000 1.080 87 R CB 0.155 30.529 30.300 0.122 0.000 1.030 87 R HN 0.183 nan 8.270 nan 0.000 0.491 88 L N 2.302 123.310 121.223 -0.359 0.000 2.456 88 L HA 0.354 4.694 4.340 -0.000 0.000 0.257 88 L C 0.201 176.879 176.870 -0.320 0.000 1.162 88 L CA 0.221 54.754 54.840 -0.512 0.000 0.808 88 L CB 0.425 41.867 42.059 -1.029 0.000 1.136 88 L HN 0.454 nan 8.230 nan 0.000 0.466 89 I N 0.089 120.598 120.570 -0.102 0.000 2.465 89 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 89 I C -0.594 175.809 176.117 0.477 0.000 1.014 89 I CA -0.468 60.914 61.300 0.136 0.000 1.093 89 I CB 1.540 39.474 38.000 -0.111 0.000 1.267 89 I HN 0.536 nan 8.210 nan 0.000 0.431 90 H N 5.273 124.636 119.070 0.488 0.000 2.541 90 H HA 0.330 4.886 4.556 -0.000 0.000 0.316 90 H C -1.334 174.218 175.328 0.374 0.000 1.043 90 H CA -0.725 55.553 56.048 0.383 0.000 1.232 90 H CB 0.929 30.834 29.762 0.238 0.000 1.406 90 H HN 0.605 nan 8.280 nan 0.000 0.469 91 H N 4.409 123.603 119.070 0.206 0.000 2.541 91 H HA 0.417 4.973 4.556 -0.000 0.000 0.316 91 H C -1.475 173.850 175.328 -0.006 0.000 1.043 91 H CA -0.432 55.667 56.048 0.086 0.000 1.232 91 H CB 0.925 30.738 29.762 0.085 0.000 1.406 91 H HN 0.345 nan 8.280 nan 0.000 0.469 92 V N 5.619 125.375 119.914 -0.263 0.000 2.808 92 V HA 0.240 4.360 4.120 -0.000 0.000 0.308 92 V C -0.706 175.323 176.094 -0.109 0.000 1.099 92 V CA -0.973 61.224 62.300 -0.171 0.000 0.920 92 V CB 1.501 33.112 31.823 -0.353 0.000 1.014 92 V HN 1.047 nan 8.190 nan 0.000 0.425 93 K N 4.833 125.209 120.400 -0.040 0.000 3.356 93 K HA -0.222 4.098 4.320 -0.000 0.000 0.270 93 K C 0.932 177.497 176.600 -0.059 0.000 0.901 93 K CA 0.897 57.177 56.287 -0.012 0.000 0.688 93 K CB -1.416 31.095 32.500 0.017 0.000 1.460 93 K HN 1.858 nan 8.250 nan 0.000 0.458 94 G N 0.030 108.763 108.800 -0.112 0.000 2.153 94 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.252 94 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.252 94 G C -0.092 174.638 174.900 -0.284 0.000 0.994 94 G CA 0.971 46.032 45.100 -0.065 0.000 0.698 94 G HN 0.486 nan 8.290 nan 0.000 0.521 95 K N -0.211 119.803 120.400 -0.644 0.000 2.469 95 K HA 0.630 4.950 4.320 -0.000 0.000 0.254 95 K C -0.477 175.714 176.600 -0.681 0.000 0.939 95 K CA -0.535 55.431 56.287 -0.535 0.000 0.812 95 K CB 1.400 33.668 32.500 -0.387 0.000 1.301 95 K HN 0.043 nan 8.250 nan 0.000 0.433 96 S N 2.095 117.572 115.700 -0.372 0.000 2.499 96 S HA 0.398 4.868 4.470 -0.000 0.000 0.279 96 S C -1.441 172.953 174.600 -0.343 0.000 1.219 96 S CA -0.355 57.756 58.200 -0.147 0.000 1.062 96 S CB 0.251 63.483 63.200 0.054 0.000 0.978 96 S HN 0.395 nan 8.310 nan 0.000 0.489 97 Y N 2.727 123.114 120.300 0.144 0.000 2.363 97 Y HA 0.375 4.925 4.550 0.000 0.000 0.325 97 Y C -2.529 173.563 175.900 0.320 0.000 0.984 97 Y CA -2.288 55.938 58.100 0.209 0.000 1.248 97 Y CB 1.224 39.802 38.460 0.196 0.000 1.116 97 Y HN 0.457 nan 8.280 nan 0.000 0.470 98 P HA 0.383 nan 4.420 nan 0.000 0.281 98 P C -0.997 176.586 177.300 0.472 0.000 1.249 98 P CA -0.269 63.053 63.100 0.370 0.000 0.810 98 P CB 0.829 32.739 31.700 0.348 0.000 1.008 99 F N -1.174 118.892 119.950 0.192 0.000 2.741 99 F HA 0.709 5.236 4.527 0.000 0.000 0.313 99 F C -1.248 174.621 175.800 0.115 0.000 1.153 99 F CA -1.264 56.834 58.000 0.164 0.000 0.931 99 F CB 1.479 40.574 39.000 0.157 0.000 1.335 99 F HN 0.041 nan 8.300 nan 0.000 0.460 100 R N 0.953 121.547 120.500 0.157 0.000 2.807 100 R HA 0.765 5.105 4.340 -0.000 0.000 0.276 100 R C -0.308 176.083 176.300 0.151 0.000 0.979 100 R CA -0.720 55.388 56.100 0.013 0.000 0.928 100 R CB 1.832 32.164 30.300 0.054 0.000 1.191 100 R HN 1.492 nan 8.270 nan 0.000 0.471 101 G N 1.605 110.435 108.800 0.049 0.000 2.685 101 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.387 101 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.387 101 G C -1.946 173.003 174.900 0.080 0.000 1.324 101 G CA -0.646 44.497 45.100 0.073 0.000 0.878 101 G HN 0.465 nan 8.290 nan 0.000 0.527 102 P HA 0.173 nan 4.420 nan 0.000 0.222 102 P C 0.364 177.300 177.300 -0.606 0.000 1.153 102 P CA 1.140 64.025 63.100 -0.359 0.000 0.798 102 P CB 0.133 31.513 31.700 -0.534 0.000 0.796 103 F N 0.053 119.968 119.950 -0.057 0.000 2.551 103 F HA 0.456 4.983 4.527 0.000 0.000 0.316 103 F C -2.297 173.196 175.800 -0.511 0.000 1.089 103 F CA -2.997 54.833 58.000 -0.284 0.000 0.915 103 F CB 1.364 40.132 39.000 -0.387 0.000 1.186 103 F HN -0.353 nan 8.300 nan 0.000 0.456 104 P HA 0.156 nan 4.420 nan 0.000 0.268 104 P C -2.544 174.459 177.300 -0.496 0.000 1.204 104 P CA -0.840 61.545 63.100 -1.192 0.000 0.768 104 P CB -0.008 31.132 31.700 -0.934 0.000 0.842 105 P HA 0.158 nan 4.420 nan 0.000 0.272 105 P C -0.842 176.138 177.300 -0.535 0.000 1.230 105 P CA 0.118 62.955 63.100 -0.439 0.000 0.788 105 P CB 0.521 31.963 31.700 -0.430 0.000 0.949 106 V N 1.630 121.152 119.914 -0.652 0.000 2.638 106 V HA 0.268 4.388 4.120 -0.000 0.000 0.306 106 V C -0.286 175.526 176.094 -0.471 0.000 1.052 106 V CA -0.224 61.788 62.300 -0.479 0.000 0.885 106 V CB 1.884 33.424 31.823 -0.472 0.000 0.999 106 V HN 0.710 nan 8.190 nan 0.000 0.424 107 W N 0.796 122.089 121.300 -0.013 0.000 2.777 107 W HA 0.228 4.888 4.660 -0.000 0.000 0.260 107 W C 1.312 177.828 176.519 -0.005 0.000 1.194 107 W CA -0.206 57.135 57.345 -0.006 0.000 1.447 107 W CB 0.287 29.734 29.460 -0.023 0.000 1.009 107 W HN 0.516 nan 8.180 nan 0.000 0.613 108 N N 3.457 122.267 118.700 0.183 0.000 2.411 108 N HA -0.045 4.695 4.740 -0.000 0.000 0.261 108 N C -1.341 174.233 175.510 0.106 0.000 1.248 108 N CA -0.356 52.766 53.050 0.119 0.000 0.885 108 N CB 1.365 39.906 38.487 0.090 0.000 1.062 108 N HN -0.074 nan 8.380 nan 0.000 0.471 109 P HA -0.097 nan 4.420 nan 0.000 0.221 109 P C 1.538 178.898 177.300 0.100 0.000 1.150 109 P CA 0.595 63.732 63.100 0.062 0.000 0.800 109 P CB 0.480 32.192 31.700 0.021 0.000 0.787 110 I N 0.319 120.939 120.570 0.084 0.000 2.233 110 I HA -0.119 4.051 4.170 -0.000 0.000 0.243 110 I C 2.226 178.408 176.117 0.107 0.000 1.093 110 I CA 1.536 62.883 61.300 0.077 0.000 1.380 110 I CB -2.061 35.978 38.000 0.064 0.000 1.067 110 I HN -0.004 nan 8.210 nan 0.000 0.413 111 T N 0.458 115.084 114.554 0.120 0.000 2.720 111 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 111 T C 1.897 176.687 174.700 0.150 0.000 1.037 111 T CA 1.592 63.781 62.100 0.148 0.000 1.144 111 T CB -0.636 68.294 68.868 0.103 0.000 0.864 111 T HN 0.282 nan 8.240 nan 0.000 0.444 112 Y N 1.764 122.046 120.300 -0.030 0.000 2.128 112 Y HA -0.132 4.418 4.550 -0.000 0.000 0.284 112 Y C 2.087 177.982 175.900 -0.008 0.000 1.154 112 Y CA 1.210 59.268 58.100 -0.071 0.000 1.149 112 Y CB -0.489 37.914 38.460 -0.095 0.000 0.976 112 Y HN 0.117 nan 8.280 nan 0.000 0.505 113 L N -0.302 121.052 121.223 0.217 0.000 2.042 113 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 113 L C 2.194 179.073 176.870 0.016 0.000 1.076 113 L CA 1.835 56.735 54.840 0.100 0.000 0.749 113 L CB -0.687 41.414 42.059 0.070 0.000 0.893 113 L HN 0.224 nan 8.230 nan 0.000 0.432 114 D N -0.904 119.526 120.400 0.050 0.000 2.097 114 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 114 D C 2.191 178.495 176.300 0.008 0.000 0.989 114 D CA 1.251 55.276 54.000 0.042 0.000 0.827 114 D CB 0.045 40.898 40.800 0.088 0.000 0.966 114 D HN 0.308 nan 8.370 nan 0.000 0.456 115 H N -0.375 118.629 119.070 -0.109 0.000 2.321 115 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 115 H C 2.130 177.382 175.328 -0.126 0.000 1.087 115 H CA 1.148 57.117 56.048 -0.130 0.000 1.319 115 H CB -0.103 29.570 29.762 -0.149 0.000 1.379 115 H HN 0.269 nan 8.280 nan 0.000 0.501 116 N N 1.203 119.837 118.700 -0.110 0.000 2.120 116 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 116 N C 1.764 177.213 175.510 -0.102 0.000 1.024 116 N CA 0.811 53.758 53.050 -0.172 0.000 0.852 116 N CB -0.226 38.091 38.487 -0.284 0.000 1.003 116 N HN 0.405 nan 8.380 nan 0.000 0.424 117 N N -0.161 118.489 118.700 -0.084 0.000 2.244 117 N HA -0.176 4.564 4.740 -0.000 0.000 0.183 117 N C 1.832 177.272 175.510 -0.116 0.000 1.016 117 N CA 0.665 53.664 53.050 -0.085 0.000 0.866 117 N CB -0.234 38.220 38.487 -0.055 0.000 0.980 117 N HN 0.249 nan 8.380 nan 0.000 0.430 118 F N 0.584 120.363 119.950 -0.286 0.000 2.084 118 F HA -0.080 4.447 4.527 -0.000 0.000 0.296 118 F C 1.725 177.249 175.800 -0.460 0.000 1.111 118 F CA 1.467 59.208 58.000 -0.431 0.000 1.224 118 F CB -0.858 37.746 39.000 -0.660 0.000 0.991 118 F HN 0.037 nan 8.300 nan 0.000 0.471 119 W N 0.776 121.745 121.300 -0.551 0.000 2.355 119 W HA -0.112 4.548 4.660 -0.000 0.000 0.309 119 W C 2.854 179.082 176.519 -0.486 0.000 1.206 119 W CA 1.639 58.591 57.345 -0.654 0.000 1.284 119 W CB -0.732 28.392 29.460 -0.561 0.000 1.145 119 W HN -0.070 nan 8.180 nan 0.000 0.502 120 R N 0.097 120.507 120.500 -0.149 0.000 2.091 120 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 120 R C 1.907 178.094 176.300 -0.189 0.000 1.136 120 R CA 2.158 58.167 56.100 -0.152 0.000 0.959 120 R CB -0.672 29.544 30.300 -0.139 0.000 0.856 120 R HN 0.060 nan 8.270 nan 0.000 0.437 121 T N 1.218 115.629 114.554 -0.239 0.000 2.788 121 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 121 T C 1.819 176.348 174.700 -0.284 0.000 1.044 121 T CA 1.321 63.285 62.100 -0.227 0.000 1.139 121 T CB -0.034 68.717 68.868 -0.195 0.000 0.867 121 T HN 0.184 nan 8.240 nan 0.000 0.454 122 M N 1.512 120.863 119.600 -0.415 0.000 2.117 122 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 122 M C 1.820 177.990 176.300 -0.217 0.000 1.065 122 M CA 1.431 56.521 55.300 -0.349 0.000 1.114 122 M CB -1.015 31.343 32.600 -0.405 0.000 1.361 122 M HN 0.181 nan 8.290 nan 0.000 0.408 123 D N 0.615 120.906 120.400 -0.182 0.000 2.144 123 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 123 D C 1.595 177.828 176.300 -0.111 0.000 0.978 123 D CA 1.070 54.991 54.000 -0.131 0.000 0.833 123 D CB -0.307 40.428 40.800 -0.108 0.000 0.961 123 D HN 0.293 nan 8.370 nan 0.000 0.470 124 D N 0.360 120.694 120.400 -0.111 0.000 2.097 124 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 124 D C 2.216 178.504 176.300 -0.021 0.000 0.989 124 D CA 0.750 54.711 54.000 -0.065 0.000 0.827 124 D CB -0.255 40.507 40.800 -0.063 0.000 0.966 124 D HN 0.245 nan 8.370 nan 0.000 0.456 125 M N 0.149 119.701 119.600 -0.079 0.000 2.159 125 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 125 M C 2.276 178.607 176.300 0.052 0.000 1.063 125 M CA 1.677 56.935 55.300 -0.069 0.000 1.110 125 M CB -0.362 31.908 32.600 -0.549 0.000 1.374 125 M HN 0.021 nan 8.290 nan 0.000 0.411 126 G N -0.150 108.624 108.800 -0.044 0.000 2.448 126 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 126 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 126 G C 1.585 176.482 174.900 -0.005 0.000 1.135 126 G CA 0.246 45.332 45.100 -0.022 0.000 0.784 126 G HN 0.385 nan 8.290 nan 0.000 0.543 127 R N 0.167 120.660 120.500 -0.013 0.000 2.241 127 R HA -0.014 4.326 4.340 -0.000 0.000 0.224 127 R C 1.431 177.737 176.300 0.009 0.000 1.101 127 R CA 0.843 56.931 56.100 -0.021 0.000 0.995 127 R CB 0.088 30.371 30.300 -0.027 0.000 0.870 127 R HN 0.230 nan 8.270 nan 0.000 0.463 128 E N 0.160 120.407 120.200 0.078 0.000 2.463 128 E HA 0.125 4.475 4.350 -0.000 0.000 0.193 128 E C -0.087 176.541 176.600 0.047 0.000 1.041 128 E CA 0.250 56.687 56.400 0.062 0.000 0.879 128 E CB 0.482 30.243 29.700 0.102 0.000 0.997 128 E HN 0.312 nan 8.360 nan 0.000 0.478 129 I N 2.410 123.021 120.570 0.068 0.000 2.354 129 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 129 I C -2.454 173.660 176.117 -0.005 0.000 1.007 129 I CA -2.351 58.983 61.300 0.058 0.000 1.167 129 I CB 1.679 39.780 38.000 0.167 0.000 1.320 129 I HN -0.343 nan 8.210 nan 0.000 0.458 130 P HA 0.157 nan 4.420 nan 0.000 0.271 130 P C 0.457 177.714 177.300 -0.071 0.000 1.220 130 P CA 0.088 63.113 63.100 -0.125 0.000 0.768 130 P CB 1.040 32.614 31.700 -0.211 0.000 0.848 131 S N 1.995 117.672 115.700 -0.038 0.000 2.368 131 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 131 S C 1.276 175.956 174.600 0.134 0.000 1.030 131 S CA 1.827 60.082 58.200 0.092 0.000 0.999 131 S CB -0.630 62.527 63.200 -0.071 0.000 0.844 131 S HN 0.679 nan 8.310 nan 0.000 0.459 132 D N 0.580 120.917 120.400 -0.104 0.000 2.340 132 D HA 0.239 4.879 4.640 -0.000 0.000 0.220 132 D C 0.276 176.350 176.300 -0.377 0.000 1.039 132 D CA 0.375 54.269 54.000 -0.176 0.000 0.866 132 D CB 0.051 40.681 40.800 -0.283 0.000 0.913 132 D HN 0.280 nan 8.370 nan 0.000 0.523 133 A N 1.087 123.532 122.820 -0.624 0.000 3.200 133 A HA 0.348 4.668 4.320 -0.000 0.000 0.274 133 A C -2.220 174.559 177.584 -1.342 0.000 1.220 133 A CA -0.777 50.447 52.037 -1.356 0.000 0.904 133 A CB 0.938 19.457 19.000 -0.801 0.000 1.415 133 A HN -0.097 nan 8.150 nan 0.000 0.630 134 P HA -0.125 nan 4.420 nan 0.000 0.223 134 P C 1.130 178.190 177.300 -0.400 0.000 1.151 134 P CA 1.066 63.800 63.100 -0.611 0.000 0.787 134 P CB -0.295 31.006 31.700 -0.664 0.000 0.788 135 W N 0.743 121.958 121.300 -0.141 0.000 2.848 135 W HA 0.151 4.811 4.660 -0.000 0.000 0.241 135 W C 1.229 177.698 176.519 -0.083 0.000 1.289 135 W CA 0.262 57.548 57.345 -0.098 0.000 1.396 135 W CB -1.329 28.069 29.460 -0.102 0.000 1.138 135 W HN -0.114 nan 8.180 nan 0.000 0.677 136 K N 0.730 120.949 120.400 -0.302 0.000 2.374 136 K HA 0.327 4.647 4.320 -0.000 0.000 0.196 136 K C 0.993 177.503 176.600 -0.150 0.000 1.023 136 K CA 0.119 56.308 56.287 -0.165 0.000 1.103 136 K CB 0.095 32.465 32.500 -0.216 0.000 0.848 136 K HN 0.090 nan 8.250 nan 0.000 0.528 137 A N 2.383 125.110 122.820 -0.155 0.000 2.531 137 A HA 0.069 4.389 4.320 -0.000 0.000 0.236 137 A C -1.612 175.846 177.584 -0.210 0.000 1.062 137 A CA -0.904 51.039 52.037 -0.157 0.000 0.760 137 A CB 0.053 18.984 19.000 -0.115 0.000 0.995 137 A HN -0.017 nan 8.150 nan 0.000 0.501 138 P HA -0.091 nan 4.420 nan 0.000 0.218 138 P C 0.534 177.644 177.300 -0.316 0.000 1.148 138 P CA 1.209 64.171 63.100 -0.229 0.000 0.822 138 P CB 0.040 31.617 31.700 -0.205 0.000 0.784 139 L N -1.986 118.899 121.223 -0.564 0.000 2.928 139 L HA 0.354 4.694 4.340 -0.000 0.000 0.246 139 L C 1.875 178.392 176.870 -0.588 0.000 1.239 139 L CA -0.279 54.131 54.840 -0.717 0.000 1.035 139 L CB -0.540 40.786 42.059 -1.222 0.000 1.360 139 L HN -0.117 nan 8.230 nan 0.000 0.529 140 A N 0.567 123.208 122.820 -0.299 0.000 1.892 140 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 140 A C 2.271 179.856 177.584 0.002 0.000 1.188 140 A CA 2.089 54.074 52.037 -0.087 0.000 0.631 140 A CB -0.196 18.797 19.000 -0.011 0.000 0.822 140 A HN 0.546 nan 8.150 nan 0.000 0.447 141 E N -0.652 119.530 120.200 -0.030 0.000 2.046 141 E HA -0.212 4.138 4.350 -0.000 0.000 0.190 141 E C 2.096 178.726 176.600 0.050 0.000 0.982 141 E CA 1.087 57.500 56.400 0.022 0.000 0.800 141 E CB -0.184 29.517 29.700 0.001 0.000 0.756 141 E HN 0.757 nan 8.360 nan 0.000 0.449 142 E N -0.207 119.992 120.200 -0.002 0.000 2.049 142 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 142 E C 1.742 178.492 176.600 0.250 0.000 1.007 142 E CA 1.677 58.120 56.400 0.072 0.000 0.809 142 E CB -0.186 29.515 29.700 0.002 0.000 0.749 142 E HN 0.367 nan 8.360 nan 0.000 0.450 143 W N 1.065 122.403 121.300 0.063 0.000 2.402 143 W HA -0.053 4.607 4.660 -0.000 0.000 0.286 143 W C 2.013 178.599 176.519 0.111 0.000 1.221 143 W CA 0.904 58.299 57.345 0.084 0.000 1.257 143 W CB -1.069 28.441 29.460 0.083 0.000 1.120 143 W HN 0.270 nan 8.180 nan 0.000 0.551 144 D N -0.330 120.261 120.400 0.319 0.000 2.224 144 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 144 D C 1.290 177.714 176.300 0.207 0.000 0.965 144 D CA 0.956 55.111 54.000 0.257 0.000 0.852 144 D CB -0.231 40.693 40.800 0.207 0.000 0.947 144 D HN -0.104 nan 8.370 nan 0.000 0.494 145 N N -0.622 118.184 118.700 0.176 0.000 2.383 145 N HA 0.121 4.861 4.740 -0.000 0.000 0.192 145 N C -0.254 175.334 175.510 0.129 0.000 1.141 145 N CA 0.206 53.337 53.050 0.134 0.000 0.851 145 N CB 0.263 38.812 38.487 0.104 0.000 0.976 145 N HN 0.309 nan 8.380 nan 0.000 0.465 146 M N -0.300 119.393 119.600 0.154 0.000 2.535 146 M HA 0.235 4.715 4.480 -0.000 0.000 0.314 146 M C 0.160 176.536 176.300 0.128 0.000 1.153 146 M CA -0.694 54.681 55.300 0.125 0.000 0.924 146 M CB 2.193 34.870 32.600 0.129 0.000 1.710 146 M HN -0.047 nan 8.290 nan 0.000 0.451 147 T N -0.850 113.762 114.554 0.095 0.000 2.849 147 T HA 0.250 4.600 4.350 -0.000 0.000 0.284 147 T C 1.144 175.874 174.700 0.050 0.000 1.004 147 T CA -0.826 61.326 62.100 0.086 0.000 1.021 147 T CB 0.831 69.740 68.868 0.070 0.000 1.013 147 T HN 0.606 nan 8.240 nan 0.000 0.527 148 M N 0.345 119.955 119.600 0.017 0.000 2.202 148 M HA -0.033 4.447 4.480 -0.000 0.000 0.262 148 M C 2.170 178.425 176.300 -0.075 0.000 1.063 148 M CA 1.589 56.853 55.300 -0.060 0.000 1.097 148 M CB -1.312 31.166 32.600 -0.204 0.000 1.382 148 M HN 0.882 nan 8.290 nan 0.000 0.413 149 K N 0.499 120.868 120.400 -0.051 0.000 2.026 149 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 149 K C 1.708 178.284 176.600 -0.040 0.000 1.048 149 K CA 1.544 57.805 56.287 -0.043 0.000 0.929 149 K CB 0.048 32.558 32.500 0.016 0.000 0.713 149 K HN 0.379 nan 8.250 nan 0.000 0.439 150 E N 0.666 120.858 120.200 -0.013 0.000 2.058 150 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 150 E C 2.058 178.645 176.600 -0.022 0.000 0.997 150 E CA 1.249 57.642 56.400 -0.013 0.000 0.801 150 E CB -0.201 29.509 29.700 0.016 0.000 0.746 150 E HN 0.187 nan 8.360 nan 0.000 0.450 151 L N 1.205 122.418 121.223 -0.017 0.000 2.043 151 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 151 L C 2.093 178.939 176.870 -0.040 0.000 1.075 151 L CA 1.624 56.447 54.840 -0.029 0.000 0.752 151 L CB -0.330 41.702 42.059 -0.046 0.000 0.891 151 L HN 0.133 nan 8.230 nan 0.000 0.432 152 L N -1.022 120.162 121.223 -0.065 0.000 2.093 152 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 152 L C 2.178 178.973 176.870 -0.126 0.000 1.085 152 L CA 1.085 55.857 54.840 -0.114 0.000 0.755 152 L CB -0.873 41.075 42.059 -0.184 0.000 0.904 152 L HN 0.267 nan 8.230 nan 0.000 0.435 153 D N 0.364 120.698 120.400 -0.110 0.000 2.144 153 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 153 D C 2.189 178.402 176.300 -0.145 0.000 0.984 153 D CA 1.180 55.103 54.000 -0.129 0.000 0.834 153 D CB 0.027 40.764 40.800 -0.107 0.000 0.955 153 D HN 0.250 nan 8.370 nan 0.000 0.465 154 K N -0.119 120.225 120.400 -0.093 0.000 2.062 154 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 154 K C 2.182 178.765 176.600 -0.029 0.000 1.051 154 K CA 0.509 56.755 56.287 -0.068 0.000 0.941 154 K CB 0.079 32.573 32.500 -0.011 0.000 0.719 154 K HN 0.099 nan 8.250 nan 0.000 0.440 155 L N 0.087 121.311 121.223 0.001 0.000 2.249 155 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 155 L C 0.463 177.414 176.870 0.136 0.000 1.090 155 L CA 0.048 54.940 54.840 0.087 0.000 0.802 155 L CB 0.348 42.453 42.059 0.077 0.000 0.947 155 L HN 0.149 nan 8.230 nan 0.000 0.453 156 C N -0.244 119.053 119.300 -0.006 0.000 2.225 156 C HA 0.104 4.564 4.460 -0.000 0.000 0.328 156 C C 0.924 175.905 174.990 -0.015 0.000 1.187 156 C CA -1.011 57.987 59.018 -0.033 0.000 1.665 156 C CB -0.803 26.814 27.740 -0.206 0.000 2.253 156 C HN 0.476 nan 8.230 nan 0.000 0.497 157 W N 1.987 123.240 121.300 -0.077 0.000 2.905 157 W HA 0.080 4.740 4.660 -0.000 0.000 0.251 157 W C 1.537 178.030 176.519 -0.043 0.000 1.305 157 W CA 0.319 57.635 57.345 -0.048 0.000 1.465 157 W CB -0.167 29.277 29.460 -0.026 0.000 1.122 157 W HN 0.649 nan 8.180 nan 0.000 0.659 158 T N -3.390 111.230 114.554 0.109 0.000 2.885 158 T HA 0.293 4.643 4.350 -0.000 0.000 0.285 158 T C 0.838 175.524 174.700 -0.023 0.000 1.019 158 T CA -0.647 61.487 62.100 0.057 0.000 1.010 158 T CB 2.586 71.510 68.868 0.093 0.000 1.022 158 T HN -0.236 nan 8.240 nan 0.000 0.466 159 E N 1.189 121.380 120.200 -0.015 0.000 2.106 159 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 159 E C 2.198 178.780 176.600 -0.031 0.000 0.984 159 E CA 1.366 57.744 56.400 -0.037 0.000 0.806 159 E CB -0.454 29.236 29.700 -0.015 0.000 0.750 159 E HN 0.771 nan 8.360 nan 0.000 0.458 160 S N 0.556 116.272 115.700 0.026 0.000 2.359 160 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 160 S C 2.097 176.692 174.600 -0.009 0.000 1.035 160 S CA 1.572 59.830 58.200 0.096 0.000 1.018 160 S CB -0.090 63.234 63.200 0.206 0.000 0.876 160 S HN 0.267 nan 8.310 nan 0.000 0.448 161 A N 1.178 123.860 122.820 -0.229 0.000 1.930 161 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 161 A C 2.210 179.426 177.584 -0.613 0.000 1.175 161 A CA 1.647 53.210 52.037 -0.789 0.000 0.627 161 A CB -0.641 17.943 19.000 -0.694 0.000 0.815 161 A HN 0.639 nan 8.150 nan 0.000 0.443 162 K N -0.597 119.572 120.400 -0.385 0.000 2.155 162 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 162 K C 2.154 178.596 176.600 -0.264 0.000 1.052 162 K CA 1.372 57.444 56.287 -0.358 0.000 0.948 162 K CB -0.122 32.238 32.500 -0.233 0.000 0.728 162 K HN 0.625 nan 8.250 nan 0.000 0.448 163 Q N 0.332 120.038 119.800 -0.156 0.000 2.083 163 Q HA -0.130 4.210 4.340 -0.000 0.000 0.198 163 Q C 2.063 178.045 176.000 -0.031 0.000 0.969 163 Q CA 1.052 56.821 55.803 -0.057 0.000 0.838 163 Q CB -0.026 28.722 28.738 0.017 0.000 0.900 163 Q HN 0.174 nan 8.270 nan 0.000 0.436 164 L N 0.523 121.718 121.223 -0.046 0.000 2.083 164 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 164 L C 2.110 178.945 176.870 -0.059 0.000 1.083 164 L CA 1.888 56.747 54.840 0.031 0.000 0.752 164 L CB -0.666 41.458 42.059 0.108 0.000 0.899 164 L HN 0.146 nan 8.230 nan 0.000 0.433 165 A N -1.816 120.744 122.820 -0.433 0.000 1.933 165 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 165 A C 2.269 179.743 177.584 -0.185 0.000 1.175 165 A CA 2.210 53.878 52.037 -0.615 0.000 0.628 165 A CB -1.102 16.998 19.000 -1.501 0.000 0.814 165 A HN 0.486 nan 8.150 nan 0.000 0.444 166 T N 0.070 114.516 114.554 -0.180 0.000 2.708 166 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 166 T C 1.862 176.558 174.700 -0.006 0.000 1.037 166 T CA 1.356 63.394 62.100 -0.103 0.000 1.146 166 T CB -0.380 68.436 68.868 -0.087 0.000 0.865 166 T HN 0.384 nan 8.240 nan 0.000 0.435 167 L N 0.200 121.467 121.223 0.072 0.000 2.012 167 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 167 L C 2.241 179.225 176.870 0.191 0.000 1.073 167 L CA 1.572 56.498 54.840 0.144 0.000 0.748 167 L CB -0.399 41.785 42.059 0.208 0.000 0.891 167 L HN 0.221 nan 8.230 nan 0.000 0.431 168 F N -0.306 119.717 119.950 0.122 0.000 2.091 168 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 168 F C 2.095 178.004 175.800 0.182 0.000 1.103 168 F CA 2.131 60.264 58.000 0.222 0.000 1.228 168 F CB -0.636 38.611 39.000 0.412 0.000 0.984 168 F HN -0.127 nan 8.300 nan 0.000 0.477 169 V N 0.946 120.796 119.914 -0.105 0.000 2.307 169 V HA -0.341 3.779 4.120 -0.000 0.000 0.245 169 V C 2.025 177.998 176.094 -0.201 0.000 1.045 169 V CA 2.424 64.504 62.300 -0.367 0.000 1.024 169 V CB -1.070 30.418 31.823 -0.557 0.000 0.651 169 V HN 0.405 nan 8.190 nan 0.000 0.449 170 N N 0.246 118.870 118.700 -0.127 0.000 2.069 170 N HA -0.222 4.518 4.740 -0.000 0.000 0.191 170 N C 1.762 177.211 175.510 -0.101 0.000 1.031 170 N CA 1.368 54.355 53.050 -0.105 0.000 0.852 170 N CB -0.262 38.206 38.487 -0.033 0.000 1.018 170 N HN 0.331 nan 8.380 nan 0.000 0.423 171 L N 0.784 121.981 121.223 -0.043 0.000 2.093 171 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 171 L C 2.321 179.190 176.870 -0.003 0.000 1.085 171 L CA 1.390 56.219 54.840 -0.019 0.000 0.755 171 L CB -0.770 41.282 42.059 -0.011 0.000 0.904 171 L HN 0.285 nan 8.230 nan 0.000 0.435 172 C N -1.307 117.962 119.300 -0.051 0.000 2.466 172 C HA 0.011 4.471 4.460 -0.000 0.000 0.278 172 C C 2.198 177.225 174.990 0.061 0.000 1.288 172 C CA 1.036 60.069 59.018 0.026 0.000 1.722 172 C CB -0.551 27.096 27.740 -0.156 0.000 2.017 172 C HN 0.538 nan 8.230 nan 0.000 0.488 173 V N -1.538 118.327 119.914 -0.081 0.000 3.276 173 V HA 0.327 4.447 4.120 -0.000 0.000 0.319 173 V C 0.748 176.673 176.094 -0.283 0.000 1.476 173 V CA 0.972 63.191 62.300 -0.136 0.000 1.097 173 V CB -1.240 30.643 31.823 0.100 0.000 0.988 173 V HN 0.604 nan 8.190 nan 0.000 0.473 174 T N -1.414 112.892 114.554 -0.413 0.000 3.760 174 T HA -0.087 4.263 4.350 -0.000 0.000 0.366 174 T C 0.117 174.633 174.700 -0.306 0.000 0.761 174 T CA 1.385 63.239 62.100 -0.411 0.000 1.887 174 T CB -2.524 65.975 68.868 -0.614 0.000 1.811 174 T HN 2.454 nan 8.240 nan 0.000 0.749 175 A N -0.281 122.345 122.820 -0.324 0.000 2.594 175 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 175 A C -0.392 176.970 177.584 -0.369 0.000 1.105 175 A CA -1.053 50.714 52.037 -0.449 0.000 0.694 175 A CB 1.215 19.696 19.000 -0.865 0.000 1.291 175 A HN 0.352 nan 8.150 nan 0.000 0.410 176 E N 0.552 120.497 120.200 -0.426 0.000 2.373 176 E HA 0.221 4.571 4.350 -0.000 0.000 0.263 176 E C 1.294 177.604 176.600 -0.484 0.000 1.073 176 E CA 0.577 56.712 56.400 -0.441 0.000 0.894 176 E CB 0.816 30.106 29.700 -0.683 0.000 1.008 176 E HN 0.805 nan 8.360 nan 0.000 0.420 177 T N -1.178 113.172 114.554 -0.339 0.000 2.803 177 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 177 T C 1.404 175.979 174.700 -0.208 0.000 1.052 177 T CA 1.674 63.618 62.100 -0.260 0.000 1.136 177 T CB -0.365 68.397 68.868 -0.178 0.000 0.864 177 T HN 0.611 nan 8.240 nan 0.000 0.467 178 H N 0.499 119.511 119.070 -0.097 0.000 2.551 178 H HA 0.278 4.834 4.556 -0.000 0.000 0.266 178 H C 1.441 176.742 175.328 -0.044 0.000 0.977 178 H CA 0.714 56.725 56.048 -0.062 0.000 1.163 178 H CB -0.209 29.517 29.762 -0.060 0.000 1.381 178 H HN 0.500 nan 8.280 nan 0.000 0.581 179 E N 1.291 121.253 120.200 -0.396 0.000 2.318 179 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 179 E C 0.692 177.259 176.600 -0.055 0.000 0.998 179 E CA 0.417 56.693 56.400 -0.207 0.000 0.859 179 E CB 0.781 30.213 29.700 -0.446 0.000 0.812 179 E HN 0.364 nan 8.360 nan 0.000 0.492 180 V N -1.082 118.797 119.914 -0.058 0.000 2.581 180 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 180 V C -0.015 176.215 176.094 0.225 0.000 1.041 180 V CA -1.195 61.178 62.300 0.122 0.000 0.907 180 V CB 1.841 33.780 31.823 0.194 0.000 0.994 180 V HN -0.035 nan 8.190 nan 0.000 0.442 181 S N 3.632 119.532 115.700 0.333 0.000 2.552 181 S HA 0.365 4.835 4.470 -0.000 0.000 0.289 181 S C 1.496 176.344 174.600 0.412 0.000 1.304 181 S CA 0.256 58.672 58.200 0.361 0.000 1.063 181 S CB 0.830 64.281 63.200 0.418 0.000 0.848 181 S HN 1.796 nan 8.310 nan 0.000 0.499 182 A N 5.120 128.112 122.820 0.286 0.000 1.877 182 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 182 A C 2.029 179.782 177.584 0.282 0.000 1.186 182 A CA 1.630 53.804 52.037 0.227 0.000 0.620 182 A CB -0.924 18.134 19.000 0.096 0.000 0.822 182 A HN 0.950 nan 8.150 nan 0.000 0.443 183 L N -1.417 120.017 121.223 0.352 0.000 1.990 183 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 183 L C 2.255 179.349 176.870 0.373 0.000 1.072 183 L CA 2.684 57.760 54.840 0.393 0.000 0.755 183 L CB -0.849 41.442 42.059 0.385 0.000 0.889 183 L HN 0.664 nan 8.230 nan 0.000 0.432 184 W N -0.574 120.882 121.300 0.260 0.000 2.335 184 W HA -0.305 4.355 4.660 -0.000 0.000 0.311 184 W C 2.416 179.192 176.519 0.429 0.000 1.213 184 W CA 2.087 59.605 57.345 0.288 0.000 1.274 184 W CB -0.741 28.875 29.460 0.260 0.000 1.148 184 W HN 0.299 nan 8.180 nan 0.000 0.498 185 F N 0.736 120.767 119.950 0.134 0.000 2.134 185 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 185 F C 2.102 177.825 175.800 -0.127 0.000 1.097 185 F CA 2.254 60.154 58.000 -0.167 0.000 1.264 185 F CB -0.675 38.355 39.000 0.050 0.000 1.001 185 F HN -0.167 nan 8.300 nan 0.000 0.479 186 L N -1.389 119.863 121.223 0.049 0.000 2.093 186 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 186 L C 2.252 179.049 176.870 -0.122 0.000 1.085 186 L CA 1.416 56.214 54.840 -0.071 0.000 0.755 186 L CB -0.989 41.042 42.059 -0.046 0.000 0.904 186 L HN 0.434 nan 8.230 nan 0.000 0.435 187 W N 0.135 121.300 121.300 -0.226 0.000 2.358 187 W HA -0.309 4.351 4.660 -0.000 0.000 0.303 187 W C 2.605 178.907 176.519 -0.363 0.000 1.208 187 W CA 1.545 58.738 57.345 -0.254 0.000 1.274 187 W CB -0.592 28.736 29.460 -0.220 0.000 1.138 187 W HN 0.124 nan 8.180 nan 0.000 0.515 188 Y N 0.565 120.390 120.300 -0.792 0.000 2.145 188 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 188 Y C 2.384 177.741 175.900 -0.906 0.000 1.145 188 Y CA 3.046 60.489 58.100 -1.095 0.000 1.148 188 Y CB -0.802 36.982 38.460 -1.128 0.000 0.981 188 Y HN -0.150 nan 8.280 nan 0.000 0.507 189 V N 1.125 120.645 119.914 -0.656 0.000 2.261 189 V HA -0.333 3.786 4.120 -0.000 0.000 0.246 189 V C 2.330 178.105 176.094 -0.530 0.000 1.047 189 V CA 2.374 64.364 62.300 -0.517 0.000 1.015 189 V CB -0.943 30.674 31.823 -0.343 0.000 0.642 189 V HN 0.432 nan 8.190 nan 0.000 0.446 190 K N 2.484 122.597 120.400 -0.478 0.000 2.063 190 K HA -0.279 4.041 4.320 -0.000 0.000 0.208 190 K C 1.916 178.186 176.600 -0.551 0.000 1.048 190 K CA 2.406 58.443 56.287 -0.416 0.000 0.928 190 K CB -0.787 31.548 32.500 -0.276 0.000 0.713 190 K HN 0.620 nan 8.250 nan 0.000 0.442 191 Q N -0.533 118.789 119.800 -0.796 0.000 2.488 191 Q HA 0.060 4.400 4.340 -0.000 0.000 0.211 191 Q C 1.069 176.546 176.000 -0.873 0.000 0.967 191 Q CA 1.148 56.470 55.803 -0.803 0.000 0.926 191 Q CB -0.501 27.571 28.738 -1.109 0.000 0.992 191 Q HN 0.348 nan 8.270 nan 0.000 0.506 192 C N 0.237 118.884 119.300 -1.089 0.000 2.754 192 C HA 0.612 5.072 4.460 -0.000 0.000 0.276 192 C C 1.534 175.808 174.990 -1.194 0.000 1.264 192 C CA 0.121 58.118 59.018 -1.703 0.000 1.700 192 C CB -0.940 25.765 27.740 -1.725 0.000 1.885 192 C HN 0.833 nan 8.230 nan 0.000 0.607 193 G N 0.130 108.538 108.800 -0.653 0.000 2.159 193 G HA2 0.278 4.238 3.960 -0.000 0.000 0.227 193 G HA3 0.278 4.238 3.960 -0.000 0.000 0.227 193 G C 0.480 175.215 174.900 -0.275 0.000 0.986 193 G CA 0.029 44.910 45.100 -0.366 0.000 0.651 193 G HN 1.661 nan 8.290 nan 0.000 0.523 194 G N -2.041 106.573 108.800 -0.308 0.000 2.655 194 G HA2 0.308 4.268 3.960 -0.000 0.000 0.680 194 G HA3 0.308 4.268 3.960 -0.000 0.000 0.680 194 G C 1.059 175.896 174.900 -0.105 0.000 1.302 194 G CA 0.997 45.983 45.100 -0.188 0.000 0.872 194 G HN 1.858 nan 8.290 nan 0.000 0.540 195 T N -2.967 111.576 114.554 -0.018 0.000 2.708 195 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 195 T C 2.353 177.048 174.700 -0.008 0.000 1.037 195 T CA 2.980 65.126 62.100 0.076 0.000 1.146 195 T CB -0.854 68.099 68.868 0.143 0.000 0.865 195 T HN 0.991 nan 8.240 nan 0.000 0.435 196 T N 1.343 115.869 114.554 -0.048 0.000 2.708 196 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 196 T C 2.126 176.779 174.700 -0.079 0.000 1.037 196 T CA 1.512 63.550 62.100 -0.103 0.000 1.146 196 T CB -0.324 68.500 68.868 -0.073 0.000 0.865 196 T HN 0.320 nan 8.240 nan 0.000 0.435 197 R N 0.966 121.435 120.500 -0.052 0.000 2.081 197 R HA 0.120 4.460 4.340 -0.000 0.000 0.235 197 R C 2.226 178.560 176.300 0.058 0.000 1.131 197 R CA 1.218 57.316 56.100 -0.005 0.000 0.960 197 R CB -0.856 29.427 30.300 -0.029 0.000 0.856 197 R HN 0.452 nan 8.270 nan 0.000 0.436 198 I N 0.291 120.866 120.570 0.008 0.000 2.394 198 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 198 I C 1.493 177.706 176.117 0.161 0.000 1.136 198 I CA 1.305 62.663 61.300 0.096 0.000 1.425 198 I CB 0.092 38.111 38.000 0.033 0.000 1.079 198 I HN 0.315 nan 8.210 nan 0.000 0.425 199 I N -2.711 117.916 120.570 0.096 0.000 3.427 199 I HA 0.129 4.299 4.170 -0.000 0.000 0.288 199 I C 1.044 177.134 176.117 -0.044 0.000 1.249 199 I CA -0.065 61.261 61.300 0.044 0.000 1.421 199 I CB -0.304 37.657 38.000 -0.065 0.000 1.086 199 I HN -0.111 nan 8.210 nan 0.000 0.448 200 S N 1.326 116.987 115.700 -0.065 0.000 2.592 200 S HA 0.235 4.705 4.470 -0.000 0.000 0.271 200 S C 1.034 175.602 174.600 -0.052 0.000 1.326 200 S CA -0.172 57.977 58.200 -0.086 0.000 1.024 200 S CB 1.588 64.730 63.200 -0.097 0.000 0.921 200 S HN 0.284 nan 8.310 nan 0.000 0.527 201 T N 1.923 116.441 114.554 -0.061 0.000 2.837 201 T HA 0.034 4.384 4.350 -0.000 0.000 0.242 201 T C 0.598 175.259 174.700 -0.064 0.000 1.044 201 T CA 0.620 62.678 62.100 -0.070 0.000 1.202 201 T CB -0.338 68.488 68.868 -0.070 0.000 0.905 201 T HN 0.603 nan 8.240 nan 0.000 0.413 202 T N 3.632 118.151 114.554 -0.058 0.000 2.831 202 T HA 0.123 4.472 4.350 -0.000 0.000 0.291 202 T C 0.691 175.363 174.700 -0.047 0.000 0.981 202 T CA 0.397 62.468 62.100 -0.048 0.000 1.174 202 T CB -0.142 68.701 68.868 -0.041 0.000 0.929 202 T HN 0.523 nan 8.240 nan 0.000 0.532 203 N N 0.834 119.509 118.700 -0.041 0.000 2.782 203 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 203 N C 0.167 175.665 175.510 -0.020 0.000 1.101 203 N CA 1.442 54.474 53.050 -0.030 0.000 0.764 203 N CB -1.061 37.410 38.487 -0.025 0.000 1.122 203 N HN 0.942 nan 8.380 nan 0.000 0.561 204 G N -2.965 105.818 108.800 -0.027 0.000 3.021 204 G HA2 0.569 4.529 3.960 -0.000 0.000 0.290 204 G HA3 0.569 4.529 3.960 -0.000 0.000 0.290 204 G C 0.901 175.786 174.900 -0.025 0.000 1.291 204 G CA -0.033 45.074 45.100 0.013 0.000 0.834 204 G HN 0.311 nan 8.290 nan 0.000 0.564 205 G N -0.914 107.908 108.800 0.037 0.000 2.509 205 G HA2 0.062 4.022 3.960 -0.000 0.000 0.218 205 G HA3 0.062 4.022 3.960 -0.000 0.000 0.218 205 G C 1.170 176.016 174.900 -0.089 0.000 1.124 205 G CA 0.835 45.863 45.100 -0.121 0.000 0.776 205 G HN 0.380 nan 8.290 nan 0.000 0.547 206 Q N -0.201 119.547 119.800 -0.086 0.000 2.222 206 Q HA 0.254 4.594 4.340 -0.000 0.000 0.206 206 Q C 1.717 177.649 176.000 -0.114 0.000 0.877 206 Q CA -0.106 55.586 55.803 -0.184 0.000 0.958 206 Q CB 0.578 29.099 28.738 -0.361 0.000 1.075 206 Q HN 0.630 nan 8.270 nan 0.000 0.483 207 E N 0.550 120.692 120.200 -0.097 0.000 2.085 207 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 207 E C -0.011 176.527 176.600 -0.103 0.000 0.994 207 E CA 0.896 57.241 56.400 -0.092 0.000 0.801 207 E CB 0.393 30.034 29.700 -0.098 0.000 0.743 207 E HN 0.156 nan 8.360 nan 0.000 0.453 208 R N -0.887 119.530 120.500 -0.138 0.000 2.837 208 R HA 0.446 4.786 4.340 -0.000 0.000 0.271 208 R C -1.050 175.034 176.300 -0.361 0.000 0.993 208 R CA -0.721 55.215 56.100 -0.274 0.000 0.931 208 R CB 2.002 32.118 30.300 -0.307 0.000 1.206 208 R HN -0.163 nan 8.270 nan 0.000 0.474 209 K N 0.646 120.662 120.400 -0.640 0.000 2.400 209 K HA 0.432 4.752 4.320 -0.000 0.000 0.246 209 K C -1.043 175.223 176.600 -0.556 0.000 0.995 209 K CA -0.711 55.194 56.287 -0.637 0.000 0.840 209 K CB 1.444 33.617 32.500 -0.547 0.000 1.293 209 K HN 0.243 nan 8.250 nan 0.000 0.445 210 F N 1.056 120.941 119.950 -0.110 0.000 2.427 210 F HA 0.124 4.651 4.527 -0.000 0.000 0.352 210 F C 0.526 176.394 175.800 0.113 0.000 1.100 210 F CA -0.928 57.062 58.000 -0.016 0.000 1.191 210 F CB 0.854 39.822 39.000 -0.053 0.000 1.128 210 F HN 0.013 nan 8.300 nan 0.000 0.533 211 V N 3.899 124.027 119.914 0.357 0.000 2.493 211 V HA 0.176 4.296 4.120 -0.000 0.000 0.292 211 V C 0.969 176.963 176.094 -0.168 0.000 1.016 211 V CA 1.371 63.804 62.300 0.222 0.000 1.097 211 V CB 0.107 32.029 31.823 0.165 0.000 0.947 211 V HN 1.113 nan 8.190 nan 0.000 0.479 212 G N 3.399 111.669 108.800 -0.883 0.000 2.199 212 G HA2 0.122 4.082 3.960 -0.000 0.000 0.254 212 G HA3 0.122 4.082 3.960 -0.000 0.000 0.254 212 G C 0.801 175.195 174.900 -0.844 0.000 0.982 212 G CA -0.038 44.260 45.100 -1.337 0.000 0.632 212 G HN 2.423 nan 8.290 nan 0.000 0.529 213 G N -1.543 107.068 108.800 -0.316 0.000 2.650 213 G HA2 0.378 4.338 3.960 -0.000 0.000 0.686 213 G HA3 0.378 4.338 3.960 -0.000 0.000 0.686 213 G C 0.771 175.703 174.900 0.054 0.000 1.205 213 G CA 0.847 45.959 45.100 0.019 0.000 0.781 213 G HN 1.878 nan 8.290 nan 0.000 0.648 214 S N -0.055 115.727 115.700 0.136 0.000 2.489 214 S HA 0.166 4.636 4.470 -0.000 0.000 0.228 214 S C 2.522 177.127 174.600 0.008 0.000 0.995 214 S CA 1.520 59.803 58.200 0.139 0.000 0.934 214 S CB 0.056 63.396 63.200 0.233 0.000 0.771 214 S HN 2.181 nan 8.310 nan 0.000 0.522 215 G N 1.497 110.311 108.800 0.023 0.000 2.479 215 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 215 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 215 G C 1.433 176.315 174.900 -0.030 0.000 1.115 215 G CA 0.714 45.829 45.100 0.026 0.000 0.757 215 G HN 0.648 nan 8.290 nan 0.000 0.560 216 Q N -0.259 119.488 119.800 -0.088 0.000 2.226 216 Q HA -0.027 4.313 4.340 -0.000 0.000 0.204 216 Q C 2.727 178.636 176.000 -0.150 0.000 0.975 216 Q CA 0.843 56.571 55.803 -0.125 0.000 0.866 216 Q CB -0.147 28.490 28.738 -0.168 0.000 0.915 216 Q HN 0.422 nan 8.270 nan 0.000 0.440 217 V N 0.326 120.124 119.914 -0.193 0.000 2.255 217 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 217 V C 2.149 178.183 176.094 -0.099 0.000 1.051 217 V CA 2.177 64.365 62.300 -0.186 0.000 1.018 217 V CB -0.607 31.097 31.823 -0.198 0.000 0.641 217 V HN 0.305 nan 8.190 nan 0.000 0.445 218 S N -0.730 114.936 115.700 -0.056 0.000 2.368 218 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 218 S C 1.917 176.499 174.600 -0.031 0.000 1.029 218 S CA 1.542 59.726 58.200 -0.027 0.000 0.988 218 S CB -0.278 62.929 63.200 0.011 0.000 0.838 218 S HN 0.697 nan 8.310 nan 0.000 0.462 219 E N 1.042 121.225 120.200 -0.029 0.000 2.058 219 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 219 E C 2.318 178.889 176.600 -0.047 0.000 0.997 219 E CA 0.994 57.377 56.400 -0.029 0.000 0.801 219 E CB -0.107 29.577 29.700 -0.026 0.000 0.746 219 E HN 0.349 nan 8.360 nan 0.000 0.450 220 R N 0.166 120.627 120.500 -0.066 0.000 2.148 220 R HA -0.032 4.308 4.340 -0.000 0.000 0.227 220 R C 2.300 178.559 176.300 -0.069 0.000 1.103 220 R CA 0.827 56.884 56.100 -0.070 0.000 0.983 220 R CB -0.148 30.099 30.300 -0.087 0.000 0.874 220 R HN 0.229 nan 8.270 nan 0.000 0.451 221 I N 0.539 121.068 120.570 -0.069 0.000 2.286 221 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 221 I C 2.641 178.709 176.117 -0.081 0.000 1.104 221 I CA 0.999 62.255 61.300 -0.074 0.000 1.397 221 I CB -0.172 37.790 38.000 -0.065 0.000 1.072 221 I HN 0.178 nan 8.210 nan 0.000 0.417 222 M N 1.032 120.593 119.600 -0.064 0.000 2.106 222 M HA -0.284 4.196 4.480 -0.000 0.000 0.259 222 M C 1.638 177.901 176.300 -0.062 0.000 1.068 222 M CA 2.037 57.301 55.300 -0.060 0.000 1.100 222 M CB -0.255 32.322 32.600 -0.039 0.000 1.351 222 M HN 0.153 nan 8.290 nan 0.000 0.404 223 D N 0.652 121.018 120.400 -0.056 0.000 2.123 223 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 223 D C 2.071 178.333 176.300 -0.062 0.000 0.992 223 D CA 1.548 55.518 54.000 -0.050 0.000 0.833 223 D CB -0.515 40.259 40.800 -0.043 0.000 0.954 223 D HN 0.458 nan 8.370 nan 0.000 0.455 224 L N 0.137 121.311 121.223 -0.082 0.000 2.046 224 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 224 L C 2.468 179.232 176.870 -0.175 0.000 1.077 224 L CA 0.743 55.518 54.840 -0.107 0.000 0.747 224 L CB -0.334 41.651 42.059 -0.123 0.000 0.896 224 L HN 0.023 nan 8.230 nan 0.000 0.432 225 L N -0.923 120.181 121.223 -0.198 0.000 2.395 225 L HA 0.080 4.420 4.340 -0.000 0.000 0.218 225 L C 1.757 178.556 176.870 -0.119 0.000 1.130 225 L CA 0.416 55.109 54.840 -0.245 0.000 0.826 225 L CB -0.863 41.074 42.059 -0.204 0.000 0.941 225 L HN 0.459 nan 8.230 nan 0.000 0.451 226 G N 2.023 110.777 108.800 -0.076 0.000 2.651 226 G HA2 -0.471 3.489 3.960 -0.000 0.000 0.315 226 G HA3 -0.471 3.489 3.960 -0.000 0.000 0.315 226 G C 0.516 175.400 174.900 -0.027 0.000 1.258 226 G CA 0.684 45.761 45.100 -0.037 0.000 1.002 226 G HN 0.548 nan 8.290 nan 0.000 0.551 227 D N 0.864 121.259 120.400 -0.008 0.000 2.336 227 D HA 0.090 4.730 4.640 -0.000 0.000 0.229 227 D C 2.030 178.337 176.300 0.012 0.000 1.061 227 D CA 0.582 54.584 54.000 0.004 0.000 0.875 227 D CB -0.285 40.525 40.800 0.016 0.000 0.904 227 D HN 0.624 nan 8.370 nan 0.000 0.525 228 R N -0.149 120.351 120.500 -0.001 0.000 2.235 228 R HA 0.090 4.430 4.340 -0.000 0.000 0.213 228 R C 0.219 176.506 176.300 -0.021 0.000 1.059 228 R CA 0.321 56.423 56.100 0.003 0.000 0.997 228 R CB 0.244 30.540 30.300 -0.005 0.000 0.884 228 R HN 0.100 nan 8.270 nan 0.000 0.462 229 V N 2.852 122.746 119.914 -0.034 0.000 2.383 229 V HA 0.134 4.254 4.120 -0.000 0.000 0.275 229 V C -0.177 175.892 176.094 -0.041 0.000 1.036 229 V CA -0.449 61.822 62.300 -0.048 0.000 0.889 229 V CB 1.444 33.239 31.823 -0.047 0.000 0.985 229 V HN 0.044 nan 8.190 nan 0.000 0.459 230 K N 6.508 126.867 120.400 -0.067 0.000 2.367 230 K HA 0.561 4.881 4.320 -0.000 0.000 0.263 230 K C -0.809 175.749 176.600 -0.070 0.000 1.000 230 K CA -0.371 55.883 56.287 -0.056 0.000 0.891 230 K CB 2.090 34.544 32.500 -0.077 0.000 1.117 230 K HN 0.482 nan 8.250 nan 0.000 0.443 231 L N 1.594 122.788 121.223 -0.047 0.000 2.399 231 L HA 0.205 4.545 4.340 -0.000 0.000 0.266 231 L C 0.678 177.514 176.870 -0.056 0.000 1.114 231 L CA -0.243 54.564 54.840 -0.054 0.000 0.804 231 L CB 0.316 42.356 42.059 -0.033 0.000 1.146 231 L HN 0.711 nan 8.230 nan 0.000 0.451 232 E N 0.615 120.768 120.200 -0.078 0.000 2.389 232 E HA -0.231 4.119 4.350 -0.000 0.000 0.243 232 E C -0.464 176.087 176.600 -0.082 0.000 1.154 232 E CA 0.295 56.648 56.400 -0.079 0.000 0.723 232 E CB -0.806 28.870 29.700 -0.040 0.000 1.261 232 E HN 0.371 nan 8.360 nan 0.000 0.390 233 R N 0.069 120.499 120.500 -0.115 0.000 2.868 233 R HA 0.238 4.578 4.340 -0.000 0.000 0.289 233 R C -2.729 173.480 176.300 -0.152 0.000 1.443 233 R CA -1.969 54.065 56.100 -0.110 0.000 1.651 233 R CB 0.595 30.825 30.300 -0.117 0.000 1.242 233 R HN -0.014 nan 8.270 nan 0.000 0.621 234 P HA -0.024 nan 4.420 nan 0.000 0.267 234 P C -0.263 176.989 177.300 -0.080 0.000 1.209 234 P CA -0.050 62.942 63.100 -0.181 0.000 0.763 234 P CB 0.809 32.440 31.700 -0.115 0.000 0.816 235 V N 5.616 125.491 119.914 -0.065 0.000 2.572 235 V HA 0.029 4.149 4.120 -0.000 0.000 0.291 235 V C 1.739 177.839 176.094 0.011 0.000 1.039 235 V CA 0.519 62.801 62.300 -0.030 0.000 1.055 235 V CB 0.302 32.099 31.823 -0.044 0.000 0.969 235 V HN 0.547 nan 8.190 nan 0.000 0.482 236 I N 1.794 122.381 120.570 0.028 0.000 4.323 236 I HA 0.445 4.615 4.170 -0.000 0.000 0.328 236 I C -0.022 176.171 176.117 0.126 0.000 1.310 236 I CA 0.091 61.434 61.300 0.073 0.000 1.186 236 I CB 0.661 38.682 38.000 0.036 0.000 1.130 236 I HN 0.509 nan 8.210 nan 0.000 0.411 237 Y N 1.901 122.139 120.300 -0.103 0.000 2.436 237 Y HA 0.678 5.228 4.550 -0.000 0.000 0.327 237 Y C -1.951 173.864 175.900 -0.141 0.000 1.138 237 Y CA -1.488 56.539 58.100 -0.122 0.000 1.042 237 Y CB 1.579 39.998 38.460 -0.068 0.000 1.302 237 Y HN -0.003 nan 8.280 nan 0.000 0.439 238 I N 5.912 126.069 120.570 -0.688 0.000 2.447 238 I HA 0.299 4.469 4.170 -0.000 0.000 0.287 238 I C -1.381 174.359 176.117 -0.628 0.000 1.023 238 I CA -0.708 60.268 61.300 -0.540 0.000 1.083 238 I CB 1.832 39.651 38.000 -0.301 0.000 1.245 238 I HN 0.536 nan 8.210 nan 0.000 0.434 239 D N 6.016 126.101 120.400 -0.525 0.000 2.408 239 D HA 0.263 4.903 4.640 -0.000 0.000 0.243 239 D C -0.152 176.079 176.300 -0.114 0.000 1.075 239 D CA -0.201 53.599 54.000 -0.332 0.000 0.832 239 D CB 1.710 42.345 40.800 -0.275 0.000 1.162 239 D HN 0.502 nan 8.370 nan 0.000 0.515 240 Q N 1.648 121.421 119.800 -0.045 0.000 2.198 240 Q HA 0.056 4.396 4.340 -0.000 0.000 0.209 240 Q C 1.224 177.221 176.000 -0.004 0.000 0.848 240 Q CA 0.074 55.867 55.803 -0.015 0.000 0.974 240 Q CB 0.756 29.500 28.738 0.009 0.000 1.115 240 Q HN 0.605 nan 8.270 nan 0.000 0.494 241 T N -2.157 112.400 114.554 0.004 0.000 3.085 241 T HA 0.083 4.433 4.350 -0.000 0.000 0.263 241 T C 0.986 175.691 174.700 0.009 0.000 1.127 241 T CA 0.242 62.351 62.100 0.015 0.000 1.103 241 T CB 0.240 69.127 68.868 0.032 0.000 0.921 241 T HN 0.043 nan 8.240 nan 0.000 0.510 242 R N 0.553 121.053 120.500 0.001 0.000 2.867 242 R HA 0.433 4.773 4.340 -0.000 0.000 0.227 242 R C 1.511 177.801 176.300 -0.017 0.000 1.372 242 R CA -0.553 55.545 56.100 -0.003 0.000 1.083 242 R CB 0.611 30.913 30.300 0.003 0.000 1.596 242 R HN 0.260 nan 8.270 nan 0.000 0.522 243 E N 0.860 121.049 120.200 -0.019 0.000 2.038 243 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 243 E C -0.230 176.339 176.600 -0.052 0.000 1.000 243 E CA 1.240 57.621 56.400 -0.031 0.000 0.803 243 E CB 0.138 29.824 29.700 -0.023 0.000 0.750 243 E HN 0.276 nan 8.360 nan 0.000 0.448 244 N N 0.225 118.899 118.700 -0.044 0.000 2.456 244 N HA 0.203 4.943 4.740 -0.000 0.000 0.296 244 N C -1.119 174.363 175.510 -0.047 0.000 1.102 244 N CA -0.473 52.543 53.050 -0.056 0.000 0.924 244 N CB 2.061 40.527 38.487 -0.035 0.000 1.186 244 N HN -0.093 nan 8.380 nan 0.000 0.492 245 V N 2.031 121.909 119.914 -0.059 0.000 2.637 245 V HA 0.196 4.316 4.120 -0.000 0.000 0.296 245 V C 0.445 176.528 176.094 -0.018 0.000 1.046 245 V CA -0.262 62.014 62.300 -0.041 0.000 1.066 245 V CB 0.259 32.060 31.823 -0.036 0.000 0.968 245 V HN 0.369 nan 8.190 nan 0.000 0.483 246 L N 5.222 126.429 121.223 -0.025 0.000 2.313 246 L HA 0.578 4.918 4.340 -0.000 0.000 0.283 246 L C -0.688 176.173 176.870 -0.016 0.000 1.013 246 L CA -0.545 54.296 54.840 0.002 0.000 0.816 246 L CB 1.891 43.963 42.059 0.022 0.000 1.236 246 L HN 0.382 nan 8.230 nan 0.000 0.419 247 V N 2.756 122.704 119.914 0.055 0.000 2.378 247 V HA 0.344 4.464 4.120 -0.000 0.000 0.288 247 V C -0.158 176.023 176.094 0.144 0.000 1.016 247 V CA -0.639 61.692 62.300 0.052 0.000 0.840 247 V CB 1.672 33.523 31.823 0.047 0.000 0.994 247 V HN 0.722 nan 8.190 nan 0.000 0.431 248 E N 3.053 123.337 120.200 0.140 0.000 2.204 248 E HA 0.638 4.988 4.350 -0.000 0.000 0.276 248 E C -0.208 176.459 176.600 0.112 0.000 0.974 248 E CA -0.458 56.047 56.400 0.176 0.000 0.815 248 E CB 1.734 31.571 29.700 0.227 0.000 1.119 248 E HN 0.836 nan 8.360 nan 0.000 0.393 249 T N 1.040 115.653 114.554 0.100 0.000 2.952 249 T HA 0.199 4.549 4.350 -0.000 0.000 0.286 249 T C 0.940 175.602 174.700 -0.063 0.000 1.024 249 T CA -0.850 61.263 62.100 0.021 0.000 1.029 249 T CB 1.173 70.061 68.868 0.034 0.000 1.094 249 T HN 0.452 nan 8.240 nan 0.000 0.515 250 L N 1.737 122.898 121.223 -0.103 0.000 2.079 250 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 250 L C 1.835 178.445 176.870 -0.434 0.000 1.081 250 L CA 2.152 56.875 54.840 -0.195 0.000 0.752 250 L CB -1.089 40.911 42.059 -0.098 0.000 0.896 250 L HN 0.944 nan 8.230 nan 0.000 0.433 251 N N -2.473 116.058 118.700 -0.282 0.000 2.413 251 N HA -0.054 4.686 4.740 -0.000 0.000 0.207 251 N C -0.108 175.298 175.510 -0.173 0.000 1.206 251 N CA 0.414 53.309 53.050 -0.257 0.000 0.832 251 N CB -0.484 37.978 38.487 -0.043 0.000 1.037 251 N HN 0.518 nan 8.380 nan 0.000 0.467 252 H N -2.991 116.097 119.070 0.030 0.000 3.109 252 H HA -0.163 4.393 4.556 -0.000 0.000 0.245 252 H C -0.867 174.476 175.328 0.025 0.000 1.187 252 H CA 0.976 57.035 56.048 0.019 0.000 1.136 252 H CB -2.075 27.687 29.762 -0.000 0.000 1.243 252 H HN 0.588 nan 8.280 nan 0.000 0.328 253 E N 0.952 121.217 120.200 0.109 0.000 2.283 253 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 253 E C 0.223 176.872 176.600 0.082 0.000 1.045 253 E CA -0.677 55.766 56.400 0.072 0.000 0.884 253 E CB 1.010 30.790 29.700 0.134 0.000 1.106 253 E HN 0.074 nan 8.360 nan 0.000 0.408 254 M N 2.187 121.727 119.600 -0.100 0.000 2.326 254 M HA 0.367 4.847 4.480 -0.000 0.000 0.306 254 M C -1.506 174.622 176.300 -0.286 0.000 1.054 254 M CA -0.585 54.686 55.300 -0.048 0.000 0.922 254 M CB 1.148 33.729 32.600 -0.031 0.000 1.632 254 M HN 0.531 nan 8.290 nan 0.000 0.436 255 Y N 0.393 120.702 120.300 0.014 0.000 2.485 255 Y HA 0.552 5.102 4.550 -0.000 0.000 0.345 255 Y C -0.131 175.771 175.900 0.002 0.000 0.998 255 Y CA -0.727 57.377 58.100 0.007 0.000 1.059 255 Y CB 1.928 40.390 38.460 0.003 0.000 1.234 255 Y HN 0.575 nan 8.280 nan 0.000 0.461 256 E N 1.334 121.602 120.200 0.114 0.000 2.256 256 E HA 0.849 5.199 4.350 -0.000 0.000 0.268 256 E C -1.664 174.969 176.600 0.055 0.000 0.877 256 E CA -0.727 55.707 56.400 0.055 0.000 0.757 256 E CB 1.671 31.380 29.700 0.015 0.000 1.183 256 E HN 0.767 nan 8.360 nan 0.000 0.418 257 A N 3.260 126.096 122.820 0.027 0.000 2.609 257 A HA 0.391 4.711 4.320 -0.000 0.000 0.291 257 A C -0.222 177.330 177.584 -0.052 0.000 1.096 257 A CA -0.631 51.416 52.037 0.017 0.000 0.684 257 A CB 1.518 20.547 19.000 0.050 0.000 1.282 257 A HN 0.659 nan 8.150 nan 0.000 0.412 258 K N -0.795 119.556 120.400 -0.083 0.000 2.116 258 K HA 0.125 4.445 4.320 -0.000 0.000 0.203 258 K C -0.636 175.619 176.600 -0.575 0.000 1.052 258 K CA 1.420 57.526 56.287 -0.301 0.000 0.952 258 K CB -0.038 32.320 32.500 -0.237 0.000 0.729 258 K HN 0.602 nan 8.250 nan 0.000 0.446 259 Y N -0.987 119.332 120.300 0.032 0.000 2.609 259 Y HA 0.413 4.963 4.550 -0.000 0.000 0.342 259 Y C -0.583 175.343 175.900 0.043 0.000 1.058 259 Y CA -1.310 56.824 58.100 0.057 0.000 1.055 259 Y CB 1.841 40.327 38.460 0.043 0.000 1.292 259 Y HN -0.416 nan 8.280 nan 0.000 0.476 260 V N 3.184 123.242 119.914 0.239 0.000 2.656 260 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 260 V C -0.608 175.541 176.094 0.092 0.000 1.051 260 V CA -0.860 61.508 62.300 0.113 0.000 0.893 260 V CB 2.008 33.862 31.823 0.052 0.000 0.999 260 V HN 0.548 nan 8.190 nan 0.000 0.426 261 I N 3.014 123.608 120.570 0.039 0.000 2.339 261 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 261 I C 0.343 176.450 176.117 -0.017 0.000 0.994 261 I CA -0.129 61.174 61.300 0.005 0.000 1.191 261 I CB 1.871 39.881 38.000 0.017 0.000 1.343 261 I HN 0.609 nan 8.210 nan 0.000 0.458 262 S N 5.670 121.324 115.700 -0.077 0.000 2.400 262 S HA 0.496 4.966 4.470 -0.000 0.000 0.295 262 S C 0.397 175.069 174.600 0.121 0.000 1.113 262 S CA -0.511 57.710 58.200 0.035 0.000 1.064 262 S CB 0.438 63.688 63.200 0.082 0.000 0.990 262 S HN 0.703 nan 8.310 nan 0.000 0.502 263 A N 6.249 129.132 122.820 0.105 0.000 3.106 263 A HA 0.501 4.821 4.320 -0.000 0.000 0.306 263 A C 0.281 177.942 177.584 0.129 0.000 1.192 263 A CA -0.734 51.374 52.037 0.119 0.000 0.994 263 A CB -0.633 18.414 19.000 0.077 0.000 1.107 263 A HN 0.925 nan 8.150 nan 0.000 0.585 264 I N -4.013 116.652 120.570 0.159 0.000 2.957 264 I HA 0.690 4.860 4.170 -0.000 0.000 0.310 264 I C -2.904 173.310 176.117 0.162 0.000 1.063 264 I CA -3.179 58.212 61.300 0.152 0.000 1.033 264 I CB 1.724 39.815 38.000 0.152 0.000 1.230 264 I HN -0.136 nan 8.210 nan 0.000 0.447 265 P HA 0.145 nan 4.420 nan 0.000 0.264 265 P C -2.181 175.172 177.300 0.089 0.000 1.183 265 P CA -0.736 62.433 63.100 0.115 0.000 0.763 265 P CB -0.096 31.658 31.700 0.090 0.000 0.807 266 P HA -0.220 nan 4.420 nan 0.000 0.216 266 P C 1.650 178.935 177.300 -0.025 0.000 1.157 266 P CA 1.917 65.020 63.100 0.005 0.000 0.880 266 P CB -0.357 31.306 31.700 -0.061 0.000 0.791 267 T N -1.076 113.437 114.554 -0.069 0.000 2.833 267 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 267 T C 1.575 176.267 174.700 -0.013 0.000 1.054 267 T CA 0.807 62.858 62.100 -0.082 0.000 1.135 267 T CB -0.827 67.958 68.868 -0.139 0.000 0.869 267 T HN -0.031 nan 8.240 nan 0.000 0.466 268 L N 0.426 121.670 121.223 0.035 0.000 2.456 268 L HA 0.076 4.416 4.340 -0.000 0.000 0.224 268 L C 2.836 179.779 176.870 0.122 0.000 1.148 268 L CA 0.750 55.639 54.840 0.081 0.000 0.825 268 L CB -0.853 41.281 42.059 0.124 0.000 0.937 268 L HN 0.354 nan 8.230 nan 0.000 0.450 269 G N 0.322 109.204 108.800 0.137 0.000 2.485 269 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.221 269 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.221 269 G C 1.600 176.631 174.900 0.218 0.000 1.115 269 G CA 0.548 45.782 45.100 0.223 0.000 0.751 269 G HN 0.304 nan 8.290 nan 0.000 0.567 270 M N 0.104 119.763 119.600 0.098 0.000 2.358 270 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 270 M C 2.130 178.451 176.300 0.034 0.000 1.064 270 M CA 0.983 56.315 55.300 0.052 0.000 1.093 270 M CB -0.132 32.460 32.600 -0.014 0.000 1.401 270 M HN 0.142 nan 8.290 nan 0.000 0.440 271 K N 0.480 120.921 120.400 0.068 0.000 2.504 271 K HA 0.126 4.446 4.320 -0.000 0.000 0.195 271 K C 0.354 177.010 176.600 0.094 0.000 1.036 271 K CA 0.562 56.897 56.287 0.081 0.000 0.984 271 K CB 0.045 32.620 32.500 0.125 0.000 0.788 271 K HN 0.363 nan 8.250 nan 0.000 0.488 272 I N 1.316 121.905 120.570 0.033 0.000 2.377 272 I HA 0.122 4.292 4.170 -0.000 0.000 0.293 272 I C 0.126 176.104 176.117 -0.232 0.000 0.987 272 I CA -0.719 60.508 61.300 -0.122 0.000 1.185 272 I CB 1.294 39.065 38.000 -0.382 0.000 1.341 272 I HN 0.046 nan 8.210 nan 0.000 0.455 273 H N 6.082 125.042 119.070 -0.184 0.000 2.562 273 H HA 0.345 4.901 4.556 -0.000 0.000 0.314 273 H C -1.100 174.138 175.328 -0.150 0.000 1.079 273 H CA -0.253 55.792 56.048 -0.005 0.000 1.349 273 H CB 1.196 31.047 29.762 0.148 0.000 1.432 273 H HN 0.327 nan 8.280 nan 0.000 0.479 274 F N 1.975 122.018 119.950 0.156 0.000 2.443 274 F HA 0.164 4.691 4.527 -0.000 0.000 0.335 274 F C 0.594 176.431 175.800 0.061 0.000 1.104 274 F CA -0.710 57.315 58.000 0.042 0.000 1.013 274 F CB 1.355 40.368 39.000 0.023 0.000 1.136 274 F HN 0.474 nan 8.300 nan 0.000 0.470 275 N N 4.408 123.190 118.700 0.136 0.000 2.461 275 N HA 0.402 5.142 4.740 -0.000 0.000 0.284 275 N C -3.022 172.532 175.510 0.074 0.000 1.049 275 N CA -2.345 50.779 53.050 0.123 0.000 0.889 275 N CB 2.103 40.687 38.487 0.161 0.000 1.365 275 N HN 0.077 nan 8.380 nan 0.000 0.499 276 P HA 0.297 nan 4.420 nan 0.000 0.273 276 P C -2.640 174.729 177.300 0.116 0.000 1.250 276 P CA -0.952 62.201 63.100 0.089 0.000 0.793 276 P CB -0.340 31.393 31.700 0.055 0.000 1.011 277 P HA 0.042 nan 4.420 nan 0.000 0.266 277 P C 0.149 177.457 177.300 0.013 0.000 1.193 277 P CA 0.388 63.542 63.100 0.090 0.000 0.770 277 P CB 0.149 31.884 31.700 0.058 0.000 0.836 278 L N 4.065 125.245 121.223 -0.072 0.000 2.506 278 L HA 0.091 4.431 4.340 -0.000 0.000 0.281 278 L C -1.540 175.271 176.870 -0.098 0.000 1.228 278 L CA -1.491 53.240 54.840 -0.182 0.000 0.850 278 L CB -0.670 41.193 42.059 -0.327 0.000 1.110 278 L HN 0.329 nan 8.230 nan 0.000 0.496 279 P HA -0.086 nan 4.420 nan 0.000 0.268 279 P C 0.661 177.926 177.300 -0.059 0.000 1.208 279 P CA -0.153 62.911 63.100 -0.060 0.000 0.777 279 P CB 0.443 32.108 31.700 -0.059 0.000 0.875 280 M N 1.772 121.351 119.600 -0.035 0.000 2.103 280 M HA -0.243 4.237 4.480 -0.000 0.000 0.255 280 M C 1.240 177.541 176.300 0.002 0.000 1.074 280 M CA 2.343 57.633 55.300 -0.018 0.000 1.090 280 M CB -0.370 32.225 32.600 -0.008 0.000 1.325 280 M HN 0.162 nan 8.290 nan 0.000 0.403 281 M N -0.447 119.155 119.600 0.003 0.000 2.132 281 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 281 M C 2.285 178.618 176.300 0.055 0.000 1.065 281 M CA 1.724 57.068 55.300 0.072 0.000 1.122 281 M CB -1.402 31.194 32.600 -0.006 0.000 1.365 281 M HN 0.436 nan 8.290 nan 0.000 0.411 282 R N 0.277 120.740 120.500 -0.061 0.000 2.073 282 R HA -0.151 4.189 4.340 -0.000 0.000 0.229 282 R C 2.015 178.220 176.300 -0.159 0.000 1.120 282 R CA 1.619 57.630 56.100 -0.148 0.000 0.967 282 R CB -0.195 29.969 30.300 -0.226 0.000 0.862 282 R HN 0.312 nan 8.270 nan 0.000 0.436 283 N N 0.501 119.124 118.700 -0.127 0.000 2.094 283 N HA -0.228 4.512 4.740 -0.000 0.000 0.191 283 N C 1.549 176.986 175.510 -0.122 0.000 1.023 283 N CA 1.926 54.910 53.050 -0.111 0.000 0.857 283 N CB 0.036 38.482 38.487 -0.070 0.000 1.013 283 N HN 0.358 nan 8.380 nan 0.000 0.426 284 Q N -1.125 118.604 119.800 -0.119 0.000 2.212 284 Q HA -0.027 4.313 4.340 -0.000 0.000 0.199 284 Q C 1.967 177.706 176.000 -0.435 0.000 0.950 284 Q CA 0.515 56.191 55.803 -0.212 0.000 0.863 284 Q CB -0.091 28.578 28.738 -0.115 0.000 0.944 284 Q HN 0.483 nan 8.270 nan 0.000 0.465 285 M N 1.661 120.995 119.600 -0.443 0.000 2.108 285 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 285 M C 2.029 178.090 176.300 -0.399 0.000 1.066 285 M CA 1.665 56.647 55.300 -0.530 0.000 1.107 285 M CB -0.420 32.042 32.600 -0.230 0.000 1.356 285 M HN 0.304 nan 8.290 nan 0.000 0.406 286 I N -1.641 118.760 120.570 -0.282 0.000 3.334 286 I HA -0.068 4.102 4.170 -0.000 0.000 0.282 286 I C 1.422 177.408 176.117 -0.218 0.000 1.313 286 I CA 1.343 62.509 61.300 -0.223 0.000 1.396 286 I CB -0.965 36.948 38.000 -0.144 0.000 1.054 286 I HN 0.294 nan 8.210 nan 0.000 0.495 287 T N -2.549 111.854 114.554 -0.252 0.000 3.069 287 T HA 0.274 4.624 4.350 -0.000 0.000 0.252 287 T C 1.491 176.022 174.700 -0.281 0.000 1.053 287 T CA -0.180 61.785 62.100 -0.225 0.000 0.964 287 T CB -0.056 68.702 68.868 -0.182 0.000 1.005 287 T HN 0.400 nan 8.240 nan 0.000 0.532 288 R N 0.974 121.248 120.500 -0.377 0.000 2.472 288 R HA 0.323 4.663 4.340 -0.000 0.000 0.279 288 R C -0.137 175.850 176.300 -0.522 0.000 0.953 288 R CA -0.003 55.846 56.100 -0.418 0.000 1.088 288 R CB 1.221 31.220 30.300 -0.501 0.000 1.197 288 R HN 0.430 nan 8.270 nan 0.000 0.536 289 V N -0.898 118.684 119.914 -0.553 0.000 2.462 289 V HA 0.449 4.569 4.120 -0.000 0.000 0.257 289 V C -2.625 173.101 176.094 -0.613 0.000 0.944 289 V CA -2.178 59.673 62.300 -0.747 0.000 0.903 289 V CB 0.669 32.009 31.823 -0.805 0.000 1.128 289 V HN -0.099 nan 8.190 nan 0.000 0.486 290 P HA 0.503 nan 4.420 nan 0.000 0.275 290 P C -0.677 176.307 177.300 -0.527 0.000 1.266 290 P CA -0.311 62.462 63.100 -0.545 0.000 0.793 290 P CB 1.792 33.147 31.700 -0.576 0.000 1.074 291 L N -0.283 120.811 121.223 -0.214 0.000 2.334 291 L HA 0.594 4.934 4.340 -0.000 0.000 0.270 291 L C 1.381 178.322 176.870 0.118 0.000 1.018 291 L CA -0.299 54.518 54.840 -0.037 0.000 0.811 291 L CB 0.808 42.871 42.059 0.007 0.000 1.271 291 L HN 0.470 nan 8.230 nan 0.000 0.443 292 G N -0.218 108.673 108.800 0.151 0.000 2.570 292 G HA2 0.437 4.397 3.960 -0.000 0.000 0.276 292 G HA3 0.437 4.397 3.960 -0.000 0.000 0.276 292 G C -0.804 174.103 174.900 0.011 0.000 1.346 292 G CA -0.328 44.811 45.100 0.065 0.000 1.034 292 G HN 0.477 nan 8.290 nan 0.000 0.512 293 S N -1.396 114.280 115.700 -0.041 0.000 2.647 293 S HA 0.572 5.042 4.470 -0.000 0.000 0.300 293 S C -1.102 173.492 174.600 -0.009 0.000 1.129 293 S CA -0.469 57.739 58.200 0.012 0.000 1.029 293 S CB 1.642 64.856 63.200 0.022 0.000 1.007 293 S HN 0.818 nan 8.310 nan 0.000 0.484 294 V N 4.922 124.885 119.914 0.081 0.000 3.048 294 V HA 0.599 4.719 4.120 -0.000 0.000 0.303 294 V C -1.938 174.326 176.094 0.283 0.000 1.214 294 V CA -0.776 61.611 62.300 0.144 0.000 0.984 294 V CB 1.858 33.728 31.823 0.078 0.000 1.054 294 V HN 0.870 nan 8.190 nan 0.000 0.430 295 I N 5.058 125.802 120.570 0.291 0.000 2.406 295 I HA 0.525 4.695 4.170 -0.000 0.000 0.290 295 I C -0.309 176.042 176.117 0.389 0.000 0.999 295 I CA -0.652 60.833 61.300 0.308 0.000 1.124 295 I CB 1.744 39.867 38.000 0.204 0.000 1.289 295 I HN 0.543 nan 8.210 nan 0.000 0.441 296 K N 5.938 126.595 120.400 0.429 0.000 2.211 296 K HA 0.605 4.925 4.320 -0.000 0.000 0.275 296 K C -1.468 175.238 176.600 0.176 0.000 1.024 296 K CA -0.281 56.222 56.287 0.360 0.000 0.887 296 K CB 1.088 33.866 32.500 0.464 0.000 1.084 296 K HN 0.705 nan 8.250 nan 0.000 0.463 297 C N 5.165 124.526 119.300 0.102 0.000 2.441 297 C HA 0.587 5.047 4.460 -0.000 0.000 0.318 297 C C -0.906 174.129 174.990 0.075 0.000 1.222 297 C CA -1.016 58.064 59.018 0.102 0.000 1.474 297 C CB 0.178 28.082 27.740 0.274 0.000 2.125 297 C HN 0.765 nan 8.230 nan 0.000 0.479 298 I N 2.917 123.506 120.570 0.031 0.000 2.468 298 I HA 0.392 4.562 4.170 -0.000 0.000 0.285 298 I C -0.351 175.781 176.117 0.025 0.000 1.039 298 I CA -0.148 61.121 61.300 -0.051 0.000 1.074 298 I CB 1.485 39.391 38.000 -0.156 0.000 1.228 298 I HN 0.335 nan 8.210 nan 0.000 0.436 299 V N 6.731 126.656 119.914 0.018 0.000 2.383 299 V HA 0.360 4.480 4.120 -0.000 0.000 0.275 299 V C -0.566 175.344 176.094 -0.306 0.000 1.036 299 V CA -0.607 61.703 62.300 0.017 0.000 0.889 299 V CB 0.651 32.545 31.823 0.118 0.000 0.985 299 V HN 0.407 nan 8.190 nan 0.000 0.459 300 Y N 4.242 124.472 120.300 -0.117 0.000 2.352 300 Y HA 0.661 5.211 4.550 0.000 0.000 0.326 300 Y C -0.235 175.497 175.900 -0.280 0.000 1.166 300 Y CA -0.363 57.715 58.100 -0.036 0.000 1.182 300 Y CB 1.360 39.904 38.460 0.139 0.000 1.216 300 Y HN 0.527 nan 8.280 nan 0.000 0.474 301 Y N -0.190 120.353 120.300 0.405 0.000 2.609 301 Y HA 0.257 4.807 4.550 -0.000 0.000 0.342 301 Y C 1.049 177.088 175.900 0.230 0.000 1.058 301 Y CA -1.414 56.894 58.100 0.345 0.000 1.055 301 Y CB 1.980 40.728 38.460 0.480 0.000 1.292 301 Y HN 0.513 nan 8.280 nan 0.000 0.476 302 K N 0.248 120.864 120.400 0.359 0.000 2.063 302 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 302 K C -0.205 176.465 176.600 0.116 0.000 1.048 302 K CA 1.634 58.027 56.287 0.177 0.000 0.928 302 K CB 0.253 32.832 32.500 0.133 0.000 0.713 302 K HN 0.555 nan 8.250 nan 0.000 0.442 303 E N -0.705 119.577 120.200 0.136 0.000 2.393 303 E HA 0.224 4.574 4.350 -0.000 0.000 0.273 303 E C -2.694 173.758 176.600 -0.246 0.000 0.918 303 E CA -2.208 54.174 56.400 -0.030 0.000 0.773 303 E CB 1.986 31.659 29.700 -0.045 0.000 1.275 303 E HN -0.019 nan 8.360 nan 0.000 0.451 304 P HA 0.098 nan 4.420 nan 0.000 0.237 304 P C 0.681 177.045 177.300 -1.559 0.000 1.788 304 P CA -0.084 62.094 63.100 -1.537 0.000 1.061 304 P CB -1.060 30.042 31.700 -0.996 0.000 1.967 305 F N 0.337 119.713 119.950 -0.956 0.000 2.269 305 F HA -0.082 4.445 4.527 -0.000 0.000 0.301 305 F C 1.831 177.454 175.800 -0.296 0.000 1.082 305 F CA -0.139 57.594 58.000 -0.444 0.000 1.360 305 F CB -1.757 37.112 39.000 -0.218 0.000 1.041 305 F HN 0.138 nan 8.300 nan 0.000 0.512 306 W N 1.618 122.576 121.300 -0.569 0.000 2.331 306 W HA -0.064 4.596 4.660 0.000 0.000 0.291 306 W C 1.997 178.468 176.519 -0.081 0.000 1.214 306 W CA 1.123 58.353 57.345 -0.192 0.000 1.228 306 W CB -1.218 28.069 29.460 -0.287 0.000 1.135 306 W HN -0.109 nan 8.180 nan 0.000 0.537 307 R N 1.208 121.498 120.500 -0.351 0.000 2.127 307 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 307 R C 2.038 178.256 176.300 -0.136 0.000 1.134 307 R CA 1.827 57.821 56.100 -0.177 0.000 0.975 307 R CB -0.507 29.643 30.300 -0.249 0.000 0.865 307 R HN 0.311 nan 8.270 nan 0.000 0.447 308 K N 0.662 120.979 120.400 -0.138 0.000 2.209 308 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 308 K C 1.494 178.023 176.600 -0.118 0.000 1.048 308 K CA 0.919 57.147 56.287 -0.098 0.000 0.940 308 K CB 0.051 32.515 32.500 -0.059 0.000 0.729 308 K HN 0.093 nan 8.250 nan 0.000 0.451 309 K N 0.979 121.281 120.400 -0.165 0.000 2.417 309 K HA -0.047 4.273 4.320 -0.000 0.000 0.196 309 K C -0.500 175.764 176.600 -0.561 0.000 1.023 309 K CA 0.132 56.208 56.287 -0.352 0.000 1.122 309 K CB 0.225 32.473 32.500 -0.420 0.000 0.850 309 K HN 0.031 nan 8.250 nan 0.000 0.521 310 D N 0.122 120.345 120.400 -0.296 0.000 2.723 310 D HA -0.222 4.418 4.640 -0.000 0.000 0.236 310 D C -1.362 174.849 176.300 -0.148 0.000 1.138 310 D CA 0.931 54.817 54.000 -0.190 0.000 0.676 310 D CB -1.418 39.294 40.800 -0.147 0.000 1.069 310 D HN 0.313 nan 8.370 nan 0.000 0.430 311 Y N -1.044 119.296 120.300 0.067 0.000 2.409 311 Y HA 0.337 4.887 4.550 -0.000 0.000 0.339 311 Y C 2.006 177.982 175.900 0.128 0.000 1.033 311 Y CA -0.929 57.213 58.100 0.070 0.000 1.094 311 Y CB 1.316 39.827 38.460 0.085 0.000 1.210 311 Y HN 0.244 nan 8.280 nan 0.000 0.456 312 C N -1.225 118.200 119.300 0.208 0.000 2.594 312 C HA 0.466 4.926 4.460 -0.000 0.000 0.265 312 C C 1.712 176.732 174.990 0.051 0.000 1.351 312 C CA 0.340 59.445 59.018 0.145 0.000 1.744 312 C CB -0.919 26.835 27.740 0.023 0.000 1.890 312 C HN 1.244 nan 8.230 nan 0.000 0.551 313 G N 0.231 108.912 108.800 -0.197 0.000 2.176 313 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.232 313 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.232 313 G C 0.025 174.588 174.900 -0.562 0.000 0.986 313 G CA 0.304 44.970 45.100 -0.723 0.000 0.643 313 G HN 0.609 nan 8.290 nan 0.000 0.522 314 T N 2.100 116.425 114.554 -0.382 0.000 2.761 314 T HA 0.626 4.976 4.350 -0.000 0.000 0.296 314 T C 0.355 174.836 174.700 -0.365 0.000 0.934 314 T CA 0.516 62.365 62.100 -0.417 0.000 1.091 314 T CB 0.861 69.540 68.868 -0.314 0.000 0.896 314 T HN 0.305 nan 8.240 nan 0.000 0.515 315 M N 3.953 123.306 119.600 -0.411 0.000 2.326 315 M HA 0.499 4.979 4.480 -0.000 0.000 0.306 315 M C -0.883 175.376 176.300 -0.070 0.000 1.054 315 M CA -0.625 54.556 55.300 -0.198 0.000 0.922 315 M CB 2.261 34.731 32.600 -0.217 0.000 1.632 315 M HN 0.410 nan 8.290 nan 0.000 0.436 316 I N 4.482 125.180 120.570 0.212 0.000 2.330 316 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 316 I C -0.812 175.564 176.117 0.432 0.000 1.001 316 I CA -0.363 61.175 61.300 0.396 0.000 1.193 316 I CB 1.082 39.340 38.000 0.431 0.000 1.345 316 I HN 0.609 nan 8.210 nan 0.000 0.461 317 I N 5.409 126.197 120.570 0.362 0.000 2.437 317 I HA 0.262 4.432 4.170 -0.000 0.000 0.279 317 I C -0.343 175.952 176.117 0.297 0.000 1.028 317 I CA -0.486 61.004 61.300 0.316 0.000 1.142 317 I CB 1.227 39.355 38.000 0.212 0.000 1.266 317 I HN 0.489 nan 8.210 nan 0.000 0.461 318 D N 4.380 124.959 120.400 0.297 0.000 2.354 318 D HA 0.625 5.265 4.640 -0.000 0.000 0.247 318 D C 0.254 176.665 176.300 0.185 0.000 1.138 318 D CA 0.694 54.835 54.000 0.234 0.000 0.958 318 D CB 1.895 42.825 40.800 0.217 0.000 1.144 318 D HN 0.778 nan 8.370 nan 0.000 0.458 319 G N 1.608 110.498 108.800 0.150 0.000 2.617 319 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 319 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 319 G C 0.468 175.441 174.900 0.121 0.000 1.214 319 G CA 0.161 45.335 45.100 0.123 0.000 0.796 319 G HN 0.445 nan 8.290 nan 0.000 0.654 320 E N 0.283 120.548 120.200 0.110 0.000 2.106 320 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 320 E C 2.202 178.864 176.600 0.103 0.000 0.984 320 E CA 2.488 58.962 56.400 0.124 0.000 0.806 320 E CB -0.033 29.733 29.700 0.110 0.000 0.750 320 E HN 0.678 nan 8.360 nan 0.000 0.458 321 E N 0.401 120.652 120.200 0.086 0.000 2.208 321 E HA 0.094 4.444 4.350 -0.000 0.000 0.193 321 E C 0.441 177.075 176.600 0.057 0.000 0.988 321 E CA 0.811 57.251 56.400 0.067 0.000 0.828 321 E CB -0.338 29.398 29.700 0.060 0.000 0.763 321 E HN 0.275 nan 8.360 nan 0.000 0.478 322 A N 2.765 125.629 122.820 0.073 0.000 2.491 322 A HA 0.140 4.460 4.320 -0.000 0.000 0.261 322 A C -1.388 176.228 177.584 0.052 0.000 1.101 322 A CA -1.084 50.991 52.037 0.064 0.000 0.772 322 A CB 0.143 19.204 19.000 0.101 0.000 1.043 322 A HN 0.003 nan 8.150 nan 0.000 0.501 323 P HA -0.034 nan 4.420 nan 0.000 0.219 323 P C 0.227 177.565 177.300 0.063 0.000 1.150 323 P CA 0.918 64.030 63.100 0.021 0.000 0.814 323 P CB 0.096 31.792 31.700 -0.007 0.000 0.787 324 V N 0.242 120.215 119.914 0.099 0.000 2.417 324 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 324 V C 1.118 177.336 176.094 0.206 0.000 1.024 324 V CA -0.163 62.243 62.300 0.177 0.000 0.861 324 V CB 1.313 33.275 31.823 0.231 0.000 0.985 324 V HN -0.026 nan 8.190 nan 0.000 0.436 325 A N 4.586 127.555 122.820 0.247 0.000 2.267 325 A HA 0.340 4.660 4.320 -0.000 0.000 0.213 325 A C 0.110 177.920 177.584 0.377 0.000 1.192 325 A CA 0.477 52.680 52.037 0.276 0.000 0.851 325 A CB 0.142 19.290 19.000 0.247 0.000 0.881 325 A HN 0.755 nan 8.150 nan 0.000 0.494 326 Y N -0.233 120.194 120.300 0.212 0.000 2.482 326 Y HA 0.464 5.014 4.550 0.000 0.000 0.334 326 Y C -0.423 175.545 175.900 0.114 0.000 1.091 326 Y CA -0.313 57.900 58.100 0.189 0.000 1.027 326 Y CB 1.568 40.182 38.460 0.257 0.000 1.306 326 Y HN 0.129 nan 8.280 nan 0.000 0.446 327 T N 3.709 117.973 114.554 -0.482 0.000 2.896 327 T HA 0.869 5.219 4.350 -0.000 0.000 0.297 327 T C -1.593 172.732 174.700 -0.624 0.000 1.108 327 T CA -0.834 60.992 62.100 -0.456 0.000 1.004 327 T CB 1.914 70.473 68.868 -0.515 0.000 1.159 327 T HN 0.606 nan 8.240 nan 0.000 0.499 328 L N 0.975 121.941 121.223 -0.428 0.000 2.393 328 L HA 0.507 4.847 4.340 -0.000 0.000 0.260 328 L C -0.786 175.900 176.870 -0.306 0.000 1.002 328 L CA -1.215 53.422 54.840 -0.338 0.000 0.818 328 L CB 2.251 44.196 42.059 -0.191 0.000 1.369 328 L HN 0.744 nan 8.230 nan 0.000 0.412 329 D N 0.899 121.148 120.400 -0.251 0.000 2.401 329 D HA -0.025 4.615 4.640 -0.000 0.000 0.254 329 D C -0.235 176.076 176.300 0.018 0.000 1.192 329 D CA 0.501 54.416 54.000 -0.143 0.000 0.885 329 D CB 1.191 42.022 40.800 0.050 0.000 1.147 329 D HN 0.491 nan 8.370 nan 0.000 0.478 330 D N 2.053 122.466 120.400 0.022 0.000 2.424 330 D HA 0.074 4.714 4.640 -0.000 0.000 0.220 330 D C -0.312 176.070 176.300 0.136 0.000 1.150 330 D CA -0.139 53.905 54.000 0.074 0.000 0.831 330 D CB 0.343 41.125 40.800 -0.031 0.000 0.981 330 D HN 0.225 nan 8.370 nan 0.000 0.500 331 T N 1.567 116.242 114.554 0.203 0.000 2.940 331 T HA 0.042 4.392 4.350 -0.000 0.000 0.309 331 T C 0.583 175.359 174.700 0.127 0.000 1.056 331 T CA -0.201 62.016 62.100 0.195 0.000 1.137 331 T CB 0.831 69.822 68.868 0.205 0.000 0.976 331 T HN -0.078 nan 8.240 nan 0.000 0.547 332 K N 3.671 124.107 120.400 0.060 0.000 2.286 332 K HA 0.101 4.421 4.320 -0.000 0.000 0.256 332 K C -1.464 175.019 176.600 -0.195 0.000 0.999 332 K CA -2.050 54.163 56.287 -0.123 0.000 0.908 332 K CB -0.068 32.408 32.500 -0.040 0.000 0.981 332 K HN 0.281 nan 8.250 nan 0.000 0.500 333 P HA -0.099 nan 4.420 nan 0.000 0.220 333 P C 0.344 177.582 177.300 -0.104 0.000 1.148 333 P CA 1.258 64.176 63.100 -0.304 0.000 0.803 333 P CB 0.317 31.774 31.700 -0.406 0.000 0.782 334 E N -1.149 119.005 120.200 -0.076 0.000 2.427 334 E HA 0.149 4.499 4.350 -0.000 0.000 0.196 334 E C 1.547 178.137 176.600 -0.017 0.000 1.028 334 E CA 0.966 57.352 56.400 -0.024 0.000 0.864 334 E CB -0.730 28.974 29.700 0.008 0.000 0.813 334 E HN 0.272 nan 8.360 nan 0.000 0.514 335 G N 0.678 109.470 108.800 -0.013 0.000 2.176 335 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.232 335 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.232 335 G C 0.082 174.969 174.900 -0.021 0.000 0.986 335 G CA 0.224 45.312 45.100 -0.021 0.000 0.643 335 G HN 0.344 nan 8.290 nan 0.000 0.522 336 N N -0.732 117.973 118.700 0.008 0.000 2.741 336 N HA 0.533 5.273 4.740 -0.000 0.000 0.310 336 N C 0.529 176.102 175.510 0.105 0.000 1.295 336 N CA -0.924 52.101 53.050 -0.041 0.000 0.893 336 N CB 0.018 38.401 38.487 -0.173 0.000 1.247 336 N HN 0.581 nan 8.380 nan 0.000 0.596 337 Y N -2.280 118.051 120.300 0.052 0.000 3.108 337 Y HA -0.178 4.372 4.550 -0.000 0.000 0.208 337 Y C 0.705 176.735 175.900 0.217 0.000 1.245 337 Y CA 0.349 58.532 58.100 0.138 0.000 1.171 337 Y CB -2.347 36.161 38.460 0.080 0.000 1.331 337 Y HN 0.735 nan 8.280 nan 0.000 0.534 338 A N 0.293 123.262 122.820 0.249 0.000 2.584 338 A HA 0.504 4.824 4.320 -0.000 0.000 0.239 338 A C 0.765 178.591 177.584 0.403 0.000 1.043 338 A CA 0.688 52.887 52.037 0.271 0.000 0.756 338 A CB 0.020 19.105 19.000 0.143 0.000 0.963 338 A HN 1.537 nan 8.150 nan 0.000 0.511 339 A N 2.431 125.507 122.820 0.427 0.000 2.608 339 A HA 0.635 4.955 4.320 -0.000 0.000 0.292 339 A C -1.068 176.521 177.584 0.008 0.000 1.066 339 A CA -0.536 51.574 52.037 0.122 0.000 0.676 339 A CB 0.945 19.683 19.000 -0.437 0.000 1.277 339 A HN 0.751 nan 8.150 nan 0.000 0.413 340 I N 2.227 122.688 120.570 -0.182 0.000 2.436 340 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 340 I C -0.366 175.592 176.117 -0.265 0.000 1.010 340 I CA -0.420 60.630 61.300 -0.417 0.000 1.098 340 I CB 1.744 39.346 38.000 -0.664 0.000 1.266 340 I HN 0.769 nan 8.210 nan 0.000 0.434 341 M N 5.667 125.108 119.600 -0.266 0.000 2.238 341 M HA 0.647 5.127 4.480 -0.000 0.000 0.350 341 M C -0.416 175.742 176.300 -0.236 0.000 1.138 341 M CA -0.220 54.957 55.300 -0.204 0.000 1.040 341 M CB 1.185 33.684 32.600 -0.169 0.000 1.639 341 M HN 0.699 nan 8.290 nan 0.000 0.451 342 G N 4.173 112.891 108.800 -0.137 0.000 2.574 342 G HA2 0.720 4.680 3.960 -0.000 0.000 0.299 342 G HA3 0.720 4.680 3.960 -0.000 0.000 0.299 342 G C -1.992 172.856 174.900 -0.085 0.000 1.298 342 G CA -0.536 44.526 45.100 -0.063 0.000 0.952 342 G HN 0.645 nan 8.290 nan 0.000 0.477 343 F N 0.403 120.499 119.950 0.242 0.000 2.444 343 F HA 0.492 5.019 4.527 0.000 0.000 0.342 343 F C 0.428 176.340 175.800 0.187 0.000 1.121 343 F CA -0.705 57.437 58.000 0.238 0.000 0.997 343 F CB 2.274 41.443 39.000 0.281 0.000 1.130 343 F HN 0.045 nan 8.300 nan 0.000 0.454 344 I N 5.402 126.179 120.570 0.344 0.000 2.297 344 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 344 I C -0.726 175.480 176.117 0.149 0.000 1.033 344 I CA -0.319 61.100 61.300 0.199 0.000 1.253 344 I CB 0.814 38.903 38.000 0.147 0.000 1.396 344 I HN 0.393 nan 8.210 nan 0.000 0.476 345 L N 6.523 127.794 121.223 0.081 0.000 2.317 345 L HA 0.721 5.061 4.340 -0.000 0.000 0.281 345 L C 0.919 177.755 176.870 -0.058 0.000 1.024 345 L CA -0.141 54.707 54.840 0.013 0.000 0.810 345 L CB 1.531 43.601 42.059 0.019 0.000 1.240 345 L HN 0.894 nan 8.230 nan 0.000 0.427 346 A N 2.042 124.822 122.820 -0.068 0.000 5.382 346 A HA -0.357 3.963 4.320 -0.000 0.000 0.307 346 A C 1.626 179.196 177.584 -0.022 0.000 1.937 346 A CA 1.399 53.401 52.037 -0.059 0.000 0.715 346 A CB -1.570 17.392 19.000 -0.063 0.000 1.293 346 A HN 1.086 nan 8.150 nan 0.000 0.374 347 H N 0.980 120.041 119.070 -0.014 0.000 2.457 347 H HA -0.020 4.536 4.556 0.000 0.000 0.297 347 H C 1.643 176.989 175.328 0.030 0.000 1.092 347 H CA 1.829 57.886 56.048 0.015 0.000 1.309 347 H CB -0.370 29.409 29.762 0.027 0.000 1.382 347 H HN 0.729 nan 8.280 nan 0.000 0.535 348 K N 0.677 120.734 120.400 -0.571 0.000 2.155 348 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 348 K C 2.573 179.112 176.600 -0.102 0.000 1.052 348 K CA 0.852 56.929 56.287 -0.350 0.000 0.948 348 K CB 0.053 32.373 32.500 -0.300 0.000 0.728 348 K HN 0.323 nan 8.250 nan 0.000 0.448 349 A N 1.816 124.604 122.820 -0.052 0.000 1.902 349 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 349 A C 2.045 179.645 177.584 0.027 0.000 1.181 349 A CA 1.283 53.333 52.037 0.021 0.000 0.623 349 A CB -0.322 18.705 19.000 0.046 0.000 0.818 349 A HN 0.200 nan 8.150 nan 0.000 0.443 350 R N -0.565 119.950 120.500 0.025 0.000 2.075 350 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 350 R C 2.385 178.709 176.300 0.040 0.000 1.126 350 R CA 1.463 57.588 56.100 0.042 0.000 0.963 350 R CB -0.308 30.028 30.300 0.060 0.000 0.858 350 R HN 0.559 nan 8.270 nan 0.000 0.435 351 K N 1.215 121.637 120.400 0.038 0.000 2.026 351 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 351 K C 1.865 178.482 176.600 0.028 0.000 1.048 351 K CA 1.245 57.557 56.287 0.041 0.000 0.929 351 K CB 0.008 32.540 32.500 0.053 0.000 0.713 351 K HN 0.127 nan 8.250 nan 0.000 0.439 352 L N 0.207 121.442 121.223 0.019 0.000 2.554 352 L HA 0.064 4.404 4.340 -0.000 0.000 0.226 352 L C 2.241 179.131 176.870 0.034 0.000 1.137 352 L CA 0.254 55.108 54.840 0.024 0.000 0.863 352 L CB -0.161 41.911 42.059 0.023 0.000 0.985 352 L HN 0.206 nan 8.230 nan 0.000 0.451 353 A N 0.522 123.363 122.820 0.035 0.000 2.015 353 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 353 A C 2.362 179.963 177.584 0.029 0.000 1.163 353 A CA 1.003 53.062 52.037 0.037 0.000 0.646 353 A CB -0.334 18.687 19.000 0.034 0.000 0.806 353 A HN 0.338 nan 8.150 nan 0.000 0.448 354 R N -0.597 119.919 120.500 0.026 0.000 2.152 354 R HA 0.032 4.372 4.340 -0.000 0.000 0.232 354 R C 0.273 176.585 176.300 0.020 0.000 1.117 354 R CA 0.312 56.424 56.100 0.021 0.000 0.981 354 R CB -0.492 29.820 30.300 0.020 0.000 0.870 354 R HN 0.439 nan 8.270 nan 0.000 0.451 355 L N 0.677 121.913 121.223 0.023 0.000 2.475 355 L HA 0.079 4.419 4.340 -0.000 0.000 0.253 355 L C 1.123 178.009 176.870 0.026 0.000 1.198 355 L CA -0.338 54.514 54.840 0.020 0.000 0.814 355 L CB 0.442 42.512 42.059 0.018 0.000 1.134 355 L HN 0.153 nan 8.230 nan 0.000 0.478 356 T N -2.578 111.989 114.554 0.023 0.000 2.816 356 T HA 0.116 4.466 4.350 -0.000 0.000 0.282 356 T C 0.897 175.627 174.700 0.051 0.000 0.993 356 T CA -0.611 61.508 62.100 0.031 0.000 0.994 356 T CB 1.273 70.155 68.868 0.023 0.000 1.025 356 T HN 0.675 nan 8.240 nan 0.000 0.529 357 K N 0.400 120.845 120.400 0.075 0.000 2.044 357 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 357 K C 2.092 178.758 176.600 0.110 0.000 1.049 357 K CA 1.824 58.200 56.287 0.149 0.000 0.927 357 K CB -0.148 32.441 32.500 0.149 0.000 0.713 357 K HN 0.677 nan 8.250 nan 0.000 0.443 358 E N 0.652 120.877 120.200 0.041 0.000 2.110 358 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 358 E C 1.984 178.546 176.600 -0.064 0.000 0.988 358 E CA 1.330 57.716 56.400 -0.024 0.000 0.804 358 E CB -0.074 29.622 29.700 -0.006 0.000 0.745 358 E HN 0.521 nan 8.360 nan 0.000 0.458 359 E N 0.635 120.815 120.200 -0.033 0.000 2.110 359 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 359 E C 2.238 178.797 176.600 -0.068 0.000 0.988 359 E CA 0.666 57.042 56.400 -0.041 0.000 0.804 359 E CB -0.037 29.654 29.700 -0.015 0.000 0.745 359 E HN 0.125 nan 8.360 nan 0.000 0.458 360 R N 0.268 120.736 120.500 -0.053 0.000 2.075 360 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 360 R C 2.451 178.605 176.300 -0.244 0.000 1.126 360 R CA 0.761 56.818 56.100 -0.071 0.000 0.963 360 R CB -0.330 30.006 30.300 0.060 0.000 0.858 360 R HN 0.120 nan 8.270 nan 0.000 0.435 361 L N 1.869 122.831 121.223 -0.436 0.000 2.012 361 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 361 L C 2.232 178.886 176.870 -0.360 0.000 1.073 361 L CA 1.946 56.368 54.840 -0.695 0.000 0.748 361 L CB -0.536 41.095 42.059 -0.714 0.000 0.891 361 L HN 0.014 nan 8.230 nan 0.000 0.431 362 K N -0.504 119.762 120.400 -0.223 0.000 2.063 362 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 362 K C 2.163 178.677 176.600 -0.143 0.000 1.048 362 K CA 1.764 57.966 56.287 -0.142 0.000 0.928 362 K CB -0.134 32.312 32.500 -0.090 0.000 0.713 362 K HN 0.347 nan 8.250 nan 0.000 0.442 363 K N 0.179 120.490 120.400 -0.147 0.000 2.026 363 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 363 K C 2.114 178.580 176.600 -0.224 0.000 1.048 363 K CA 1.354 57.557 56.287 -0.141 0.000 0.929 363 K CB -0.155 32.284 32.500 -0.102 0.000 0.713 363 K HN 0.052 nan 8.250 nan 0.000 0.439 364 L N 0.898 121.932 121.223 -0.315 0.000 2.046 364 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 364 L C 2.455 178.909 176.870 -0.694 0.000 1.077 364 L CA 1.580 56.066 54.840 -0.590 0.000 0.747 364 L CB -0.724 41.009 42.059 -0.542 0.000 0.896 364 L HN 0.264 nan 8.230 nan 0.000 0.432 365 C N -0.830 118.269 119.300 -0.335 0.000 2.446 365 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 365 C C 2.615 177.573 174.990 -0.054 0.000 1.275 365 C CA 0.428 59.389 59.018 -0.095 0.000 1.727 365 C CB -0.743 27.002 27.740 0.010 0.000 2.010 365 C HN 0.554 nan 8.230 nan 0.000 0.486 366 E N 0.492 120.637 120.200 -0.091 0.000 2.110 366 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 366 E C 1.990 178.554 176.600 -0.060 0.000 0.988 366 E CA 0.961 57.329 56.400 -0.053 0.000 0.804 366 E CB -0.288 29.382 29.700 -0.049 0.000 0.745 366 E HN 0.523 nan 8.360 nan 0.000 0.458 367 L N 0.424 121.569 121.223 -0.129 0.000 1.994 367 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 367 L C 2.065 178.934 176.870 -0.001 0.000 1.071 367 L CA 1.750 56.524 54.840 -0.109 0.000 0.745 367 L CB -0.556 41.405 42.059 -0.163 0.000 0.892 367 L HN 0.184 nan 8.230 nan 0.000 0.431 368 Y N -0.914 119.373 120.300 -0.022 0.000 2.333 368 Y HA -0.178 4.372 4.550 -0.000 0.000 0.290 368 Y C 2.461 178.373 175.900 0.021 0.000 1.144 368 Y CA 0.132 58.224 58.100 -0.013 0.000 1.228 368 Y CB -0.451 38.038 38.460 0.047 0.000 0.985 368 Y HN 0.394 nan 8.280 nan 0.000 0.542 369 A N 0.726 123.641 122.820 0.159 0.000 1.930 369 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 369 A C 2.083 179.708 177.584 0.069 0.000 1.175 369 A CA 1.422 53.522 52.037 0.105 0.000 0.627 369 A CB -0.327 18.706 19.000 0.055 0.000 0.815 369 A HN 0.356 nan 8.150 nan 0.000 0.443 370 K N -0.467 119.948 120.400 0.026 0.000 2.031 370 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 370 K C 1.865 178.444 176.600 -0.035 0.000 1.049 370 K CA 1.339 57.628 56.287 0.003 0.000 0.939 370 K CB -0.342 32.143 32.500 -0.025 0.000 0.717 370 K HN 0.267 nan 8.250 nan 0.000 0.438 371 V N 1.860 121.689 119.914 -0.141 0.000 2.358 371 V HA -0.190 3.929 4.120 -0.000 0.000 0.246 371 V C 2.070 178.116 176.094 -0.079 0.000 1.047 371 V CA 1.569 63.742 62.300 -0.212 0.000 1.035 371 V CB -0.373 31.288 31.823 -0.269 0.000 0.658 371 V HN 0.259 nan 8.190 nan 0.000 0.452 372 L N 0.330 121.548 121.223 -0.008 0.000 2.492 372 L HA 0.275 4.615 4.340 -0.000 0.000 0.223 372 L C 1.615 178.623 176.870 0.229 0.000 1.132 372 L CA 0.780 55.666 54.840 0.077 0.000 0.850 372 L CB -0.647 41.555 42.059 0.237 0.000 0.966 372 L HN 0.547 nan 8.230 nan 0.000 0.454 373 G N 0.777 109.668 108.800 0.152 0.000 2.295 373 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.287 373 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.287 373 G C 0.086 175.071 174.900 0.142 0.000 1.055 373 G CA 0.565 45.753 45.100 0.147 0.000 0.922 373 G HN 0.341 nan 8.290 nan 0.000 0.503 374 S N -1.186 114.585 115.700 0.118 0.000 2.619 374 S HA 0.559 5.029 4.470 -0.000 0.000 0.280 374 S C 1.236 175.789 174.600 -0.077 0.000 1.150 374 S CA -0.594 57.624 58.200 0.029 0.000 0.978 374 S CB 0.975 64.217 63.200 0.069 0.000 1.041 374 S HN 0.453 nan 8.310 nan 0.000 0.485 375 L N 3.790 124.948 121.223 -0.108 0.000 2.362 375 L HA -0.003 4.337 4.340 -0.000 0.000 0.219 375 L C 2.121 178.862 176.870 -0.215 0.000 1.134 375 L CA 0.983 55.754 54.840 -0.115 0.000 0.807 375 L CB -0.328 41.683 42.059 -0.080 0.000 0.927 375 L HN 0.736 nan 8.230 nan 0.000 0.447 376 E N 0.700 120.625 120.200 -0.458 0.000 2.268 376 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 376 E C 2.250 178.452 176.600 -0.663 0.000 0.995 376 E CA 0.931 56.904 56.400 -0.713 0.000 0.836 376 E CB -0.074 28.864 29.700 -1.270 0.000 0.763 376 E HN 0.514 nan 8.360 nan 0.000 0.491 377 A N 1.061 123.586 122.820 -0.491 0.000 2.121 377 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 377 A C 1.980 179.709 177.584 0.241 0.000 1.154 377 A CA 0.662 52.711 52.037 0.020 0.000 0.679 377 A CB -0.365 18.789 19.000 0.257 0.000 0.795 377 A HN 0.151 nan 8.150 nan 0.000 0.458 378 L N -1.243 120.033 121.223 0.089 0.000 2.599 378 L HA 0.096 4.436 4.340 -0.000 0.000 0.230 378 L C 0.556 177.503 176.870 0.129 0.000 1.141 378 L CA 0.358 55.256 54.840 0.097 0.000 0.877 378 L CB -0.019 42.056 42.059 0.028 0.000 1.009 378 L HN 0.220 nan 8.230 nan 0.000 0.447 379 E N 0.799 121.127 120.200 0.214 0.000 3.588 379 E HA 0.191 4.541 4.350 -0.000 0.000 0.213 379 E C -2.253 174.530 176.600 0.304 0.000 1.168 379 E CA -1.778 54.741 56.400 0.199 0.000 1.254 379 E CB 0.661 30.431 29.700 0.117 0.000 1.302 379 E HN 0.043 nan 8.360 nan 0.000 0.429 380 P HA -0.023 nan 4.420 nan 0.000 0.275 380 P C 0.803 178.143 177.300 0.067 0.000 1.228 380 P CA -0.112 62.984 63.100 -0.007 0.000 0.786 380 P CB 1.726 33.362 31.700 -0.107 0.000 0.927 381 V N -1.591 118.375 119.914 0.086 0.000 3.471 381 V HA 0.270 4.390 4.120 -0.000 0.000 0.258 381 V C 0.512 176.735 176.094 0.215 0.000 1.192 381 V CA 0.888 63.274 62.300 0.142 0.000 1.116 381 V CB -1.290 30.619 31.823 0.145 0.000 0.792 381 V HN 0.702 nan 8.190 nan 0.000 0.459 382 H N -1.276 117.862 119.070 0.113 0.000 2.987 382 H HA 0.600 5.156 4.556 0.000 0.000 0.316 382 H C -2.309 173.226 175.328 0.346 0.000 1.380 382 H CA -0.722 55.411 56.048 0.142 0.000 1.160 382 H CB 1.803 31.546 29.762 -0.032 0.000 1.865 382 H HN 0.130 nan 8.280 nan 0.000 0.521 383 Y N 1.646 121.697 120.300 -0.416 0.000 2.441 383 Y HA 0.499 5.049 4.550 -0.000 0.000 0.334 383 Y C -1.671 174.095 175.900 -0.222 0.000 1.061 383 Y CA -0.707 57.309 58.100 -0.140 0.000 1.032 383 Y CB 1.671 40.060 38.460 -0.118 0.000 1.266 383 Y HN 0.625 nan 8.280 nan 0.000 0.441 384 E N 4.494 124.492 120.200 -0.338 0.000 2.288 384 E HA 0.445 4.795 4.350 -0.000 0.000 0.268 384 E C -1.383 174.861 176.600 -0.593 0.000 0.885 384 E CA -0.756 55.420 56.400 -0.373 0.000 0.767 384 E CB 2.680 32.389 29.700 0.015 0.000 1.220 384 E HN 0.778 nan 8.360 nan 0.000 0.427 385 E N 0.404 120.339 120.200 -0.441 0.000 2.390 385 E HA 0.636 4.986 4.350 -0.000 0.000 0.280 385 E C -1.254 175.291 176.600 -0.092 0.000 0.992 385 E CA -1.021 55.212 56.400 -0.277 0.000 0.790 385 E CB 2.481 31.969 29.700 -0.353 0.000 1.248 385 E HN 0.170 nan 8.360 nan 0.000 0.447 386 K N 1.366 121.775 120.400 0.015 0.000 2.535 386 K HA 0.295 4.615 4.320 -0.000 0.000 0.250 386 K C -1.575 175.021 176.600 -0.007 0.000 0.948 386 K CA -0.782 55.473 56.287 -0.054 0.000 0.796 386 K CB 1.548 33.990 32.500 -0.096 0.000 1.216 386 K HN 0.511 nan 8.250 nan 0.000 0.432 387 N N 3.973 122.618 118.700 -0.092 0.000 2.462 387 N HA 0.118 4.858 4.740 -0.000 0.000 0.242 387 N C -0.274 175.196 175.510 -0.066 0.000 1.010 387 N CA -0.405 52.649 53.050 0.007 0.000 0.939 387 N CB 0.362 38.856 38.487 0.011 0.000 1.127 387 N HN 0.633 nan 8.380 nan 0.000 0.509 388 W N 2.160 123.508 121.300 0.081 0.000 2.699 388 W HA 0.056 4.716 4.660 -0.000 0.000 0.249 388 W C 1.962 178.506 176.519 0.042 0.000 1.280 388 W CA -0.048 57.339 57.345 0.070 0.000 1.345 388 W CB -0.196 29.324 29.460 0.101 0.000 1.128 388 W HN 0.585 nan 8.180 nan 0.000 0.642 389 C N 0.371 119.780 119.300 0.182 0.000 2.432 389 C HA -0.155 4.305 4.460 -0.000 0.000 0.282 389 C C 2.374 177.396 174.990 0.053 0.000 1.388 389 C CA 1.414 60.498 59.018 0.109 0.000 1.777 389 C CB -1.447 26.340 27.740 0.078 0.000 1.882 389 C HN 0.493 nan 8.230 nan 0.000 0.520 390 E N 0.789 120.999 120.200 0.016 0.000 2.489 390 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 390 E C -0.101 176.472 176.600 -0.044 0.000 1.057 390 E CA 0.416 56.801 56.400 -0.025 0.000 0.866 390 E CB -0.162 29.510 29.700 -0.048 0.000 0.916 390 E HN 0.466 nan 8.360 nan 0.000 0.500 391 E N 2.175 122.367 120.200 -0.014 0.000 2.070 391 E HA -0.012 4.338 4.350 -0.000 0.000 0.282 391 E C 0.481 177.064 176.600 -0.028 0.000 1.104 391 E CA -0.002 56.391 56.400 -0.011 0.000 0.876 391 E CB 1.449 31.198 29.700 0.082 0.000 1.055 391 E HN 0.366 nan 8.360 nan 0.000 0.401 392 Q N 2.881 122.603 119.800 -0.129 0.000 2.152 392 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 392 Q C 0.302 176.055 176.000 -0.411 0.000 0.985 392 Q CA 1.649 57.256 55.803 -0.327 0.000 0.863 392 Q CB 0.094 28.510 28.738 -0.538 0.000 0.904 392 Q HN 0.588 nan 8.270 nan 0.000 0.422 393 Y N -1.147 119.179 120.300 0.043 0.000 2.571 393 Y HA 0.259 4.809 4.550 -0.000 0.000 0.275 393 Y C 1.492 177.451 175.900 0.099 0.000 1.179 393 Y CA -0.296 57.839 58.100 0.059 0.000 1.242 393 Y CB 0.918 39.404 38.460 0.044 0.000 1.126 393 Y HN 0.062 nan 8.280 nan 0.000 0.524 394 S N -1.503 114.325 115.700 0.214 0.000 2.807 394 S HA 0.266 4.736 4.470 -0.000 0.000 0.247 394 S C 1.908 176.595 174.600 0.144 0.000 1.078 394 S CA 0.588 58.923 58.200 0.225 0.000 0.867 394 S CB 0.480 63.903 63.200 0.371 0.000 0.797 394 S HN 0.554 nan 8.310 nan 0.000 0.515 395 G N 1.114 109.977 108.800 0.105 0.000 2.234 395 G HA2 0.029 3.989 3.960 -0.000 0.000 0.260 395 G HA3 0.029 3.989 3.960 -0.000 0.000 0.260 395 G C 0.521 175.470 174.900 0.081 0.000 0.987 395 G CA 0.219 45.353 45.100 0.056 0.000 0.625 395 G HN 1.342 nan 8.290 nan 0.000 0.532 396 G N -2.409 106.482 108.800 0.151 0.000 2.350 396 G HA2 0.513 4.473 3.960 -0.000 0.000 0.276 396 G HA3 0.513 4.473 3.960 -0.000 0.000 0.276 396 G C -0.922 174.076 174.900 0.163 0.000 1.313 396 G CA 0.330 45.532 45.100 0.170 0.000 0.903 396 G HN 1.522 nan 8.290 nan 0.000 0.490 397 C N -1.885 117.462 119.300 0.078 0.000 3.312 397 C HA 0.569 5.029 4.460 -0.000 0.000 0.332 397 C C 0.747 175.642 174.990 -0.158 0.000 1.340 397 C CA -0.642 58.362 59.018 -0.022 0.000 1.265 397 C CB 0.601 28.242 27.740 -0.164 0.000 1.563 397 C HN 0.725 nan 8.230 nan 0.000 0.471 398 Y N 0.642 120.876 120.300 -0.111 0.000 2.314 398 Y HA 0.212 4.762 4.550 -0.000 0.000 0.293 398 Y C 1.592 177.455 175.900 -0.061 0.000 1.129 398 Y CA 1.328 59.331 58.100 -0.161 0.000 1.201 398 Y CB -0.451 37.887 38.460 -0.203 0.000 0.999 398 Y HN 0.689 nan 8.280 nan 0.000 0.541 399 T N -1.895 112.745 114.554 0.144 0.000 2.711 399 T HA 0.330 4.680 4.350 -0.000 0.000 0.302 399 T C -0.832 173.971 174.700 0.173 0.000 1.373 399 T CA -0.723 61.498 62.100 0.202 0.000 1.000 399 T CB 1.074 70.152 68.868 0.350 0.000 1.483 399 T HN -0.156 nan 8.240 nan 0.000 0.499 400 T N 2.875 117.542 114.554 0.187 0.000 2.834 400 T HA 0.436 4.786 4.350 -0.000 0.000 0.298 400 T C -0.691 174.016 174.700 0.011 0.000 0.966 400 T CA 0.123 62.236 62.100 0.022 0.000 1.141 400 T CB -0.517 68.358 68.868 0.013 0.000 0.905 400 T HN 0.459 nan 8.240 nan 0.000 0.535 401 Y N 1.074 121.147 120.300 -0.377 0.000 2.496 401 Y HA 0.789 5.339 4.550 -0.000 0.000 0.331 401 Y C -1.146 174.173 175.900 -0.969 0.000 1.140 401 Y CA -2.224 55.301 58.100 -0.958 0.000 1.166 401 Y CB 0.747 38.810 38.460 -0.662 0.000 1.249 401 Y HN 0.394 nan 8.280 nan 0.000 0.479 402 F N 3.018 122.174 119.950 -1.323 0.000 2.402 402 F HA 0.560 5.087 4.527 -0.000 0.000 0.355 402 F C -2.284 173.398 175.800 -0.196 0.000 1.123 402 F CA -2.746 54.871 58.000 -0.639 0.000 1.021 402 F CB 1.492 40.176 39.000 -0.527 0.000 1.160 402 F HN 0.364 nan 8.300 nan 0.000 0.451 403 P HA 0.088 nan 4.420 nan 0.000 0.271 403 P C -2.543 174.854 177.300 0.161 0.000 1.244 403 P CA -1.026 62.147 63.100 0.122 0.000 0.793 403 P CB -0.175 31.546 31.700 0.035 0.000 0.984 404 P HA -0.010 nan 4.420 nan 0.000 0.265 404 P C 0.891 178.282 177.300 0.151 0.000 1.193 404 P CA 1.165 64.363 63.100 0.163 0.000 0.765 404 P CB -0.022 31.757 31.700 0.131 0.000 0.823 405 G N 2.747 111.649 108.800 0.170 0.000 2.217 405 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 405 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 405 G C 0.763 175.782 174.900 0.198 0.000 0.990 405 G CA 0.070 45.263 45.100 0.155 0.000 0.627 405 G HN 0.439 nan 8.290 nan 0.000 0.522 406 I N 0.022 120.749 120.570 0.261 0.000 2.628 406 I HA 0.210 4.380 4.170 -0.000 0.000 0.255 406 I C 2.575 178.950 176.117 0.429 0.000 1.119 406 I CA 1.103 62.624 61.300 0.369 0.000 1.448 406 I CB -1.100 37.050 38.000 0.249 0.000 1.133 406 I HN 0.259 nan 8.210 nan 0.000 0.438 407 L N 1.282 122.725 121.223 0.367 0.000 2.046 407 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 407 L C 2.655 179.603 176.870 0.130 0.000 1.077 407 L CA 2.528 57.442 54.840 0.123 0.000 0.747 407 L CB -0.959 41.064 42.059 -0.060 0.000 0.896 407 L HN 0.416 nan 8.230 nan 0.000 0.432 408 T N -4.010 110.629 114.554 0.140 0.000 2.821 408 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 408 T C 1.808 176.471 174.700 -0.062 0.000 1.046 408 T CA 1.092 63.245 62.100 0.089 0.000 1.139 408 T CB -0.387 68.534 68.868 0.089 0.000 0.871 408 T HN 0.365 nan 8.240 nan 0.000 0.454 409 Q N -0.098 119.651 119.800 -0.085 0.000 2.187 409 Q HA 0.098 4.438 4.340 -0.000 0.000 0.199 409 Q C 1.079 176.729 176.000 -0.583 0.000 0.957 409 Q CA 1.181 56.764 55.803 -0.367 0.000 0.857 409 Q CB -0.012 28.449 28.738 -0.461 0.000 0.929 409 Q HN 0.790 nan 8.270 nan 0.000 0.453 410 Y N -1.920 118.321 120.300 -0.100 0.000 2.499 410 Y HA 0.266 4.816 4.550 -0.000 0.000 0.253 410 Y C 1.980 177.770 175.900 -0.184 0.000 1.105 410 Y CA 0.067 58.093 58.100 -0.123 0.000 1.240 410 Y CB 0.432 38.864 38.460 -0.046 0.000 1.289 410 Y HN 0.082 nan 8.280 nan 0.000 0.534 411 G N 1.352 110.074 108.800 -0.129 0.000 2.443 411 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 411 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 411 G C 1.710 176.194 174.900 -0.693 0.000 1.131 411 G CA 0.769 45.740 45.100 -0.215 0.000 0.775 411 G HN 0.368 nan 8.290 nan 0.000 0.547 412 R N 0.354 120.133 120.500 -1.202 0.000 2.316 412 R HA 0.122 4.462 4.340 -0.000 0.000 0.202 412 R C 1.550 177.607 176.300 -0.406 0.000 1.029 412 R CA 0.715 56.133 56.100 -1.137 0.000 1.018 412 R CB -0.445 29.154 30.300 -1.168 0.000 0.888 412 R HN 0.240 nan 8.270 nan 0.000 0.471 413 V N 1.542 121.283 119.914 -0.288 0.000 2.951 413 V HA -0.097 4.023 4.120 -0.000 0.000 0.255 413 V C 2.376 178.367 176.094 -0.170 0.000 1.088 413 V CA 0.844 63.038 62.300 -0.178 0.000 1.109 413 V CB -0.316 31.434 31.823 -0.121 0.000 0.724 413 V HN 0.215 nan 8.190 nan 0.000 0.471 414 L N -0.139 121.024 121.223 -0.101 0.000 1.990 414 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 414 L C 2.560 179.388 176.870 -0.070 0.000 1.072 414 L CA 1.936 56.735 54.840 -0.069 0.000 0.755 414 L CB -0.461 41.667 42.059 0.114 0.000 0.889 414 L HN 0.230 nan 8.230 nan 0.000 0.432 415 R N -0.722 119.835 120.500 0.095 0.000 2.317 415 R HA 0.037 4.377 4.340 -0.000 0.000 0.208 415 R C 0.668 177.106 176.300 0.229 0.000 0.914 415 R CA -0.161 56.076 56.100 0.227 0.000 1.060 415 R CB 0.085 30.574 30.300 0.315 0.000 1.015 415 R HN 0.384 nan 8.270 nan 0.000 0.498 416 Q N 2.397 122.255 119.800 0.097 0.000 2.297 416 Q HA 0.136 4.476 4.340 -0.000 0.000 0.267 416 Q C -2.312 173.796 176.000 0.180 0.000 1.006 416 Q CA -2.053 53.811 55.803 0.102 0.000 0.896 416 Q CB 0.902 29.645 28.738 0.009 0.000 1.186 416 Q HN -0.127 nan 8.270 nan 0.000 0.392 417 P HA -0.048 nan 4.420 nan 0.000 0.266 417 P C -1.235 176.054 177.300 -0.018 0.000 1.195 417 P CA -0.034 62.989 63.100 -0.128 0.000 0.768 417 P CB 0.633 32.013 31.700 -0.534 0.000 0.838 418 V N 3.501 123.416 119.914 0.001 0.000 2.257 418 V HA 0.139 4.259 4.120 -0.000 0.000 0.269 418 V C 0.734 176.790 176.094 -0.062 0.000 1.040 418 V CA 0.185 62.489 62.300 0.007 0.000 0.813 418 V CB -0.126 31.741 31.823 0.074 0.000 1.065 418 V HN 0.787 nan 8.190 nan 0.000 0.457 419 D N 3.980 124.346 120.400 -0.055 0.000 4.438 419 D HA -0.305 4.335 4.640 -0.000 0.000 0.158 419 D C 1.322 177.614 176.300 -0.012 0.000 0.686 419 D CA 2.347 56.335 54.000 -0.019 0.000 1.183 419 D CB -0.306 40.494 40.800 -0.000 0.000 0.623 419 D HN 0.547 nan 8.370 nan 0.000 0.521 420 R N -0.031 120.485 120.500 0.026 0.000 2.507 420 R HA 0.456 4.796 4.340 -0.000 0.000 0.298 420 R C -0.227 176.176 176.300 0.172 0.000 0.999 420 R CA -0.142 56.068 56.100 0.184 0.000 1.082 420 R CB 0.383 30.724 30.300 0.068 0.000 1.246 420 R HN 0.286 nan 8.270 nan 0.000 0.553 421 I N 1.104 121.611 120.570 -0.105 0.000 2.321 421 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 421 I C -0.627 175.120 176.117 -0.617 0.000 0.998 421 I CA -0.801 60.358 61.300 -0.236 0.000 1.227 421 I CB 0.867 38.696 38.000 -0.284 0.000 1.368 421 I HN -0.072 nan 8.210 nan 0.000 0.466 422 Y N 5.273 125.346 120.300 -0.380 0.000 2.457 422 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 422 Y C -0.492 175.090 175.900 -0.530 0.000 1.119 422 Y CA -0.624 57.280 58.100 -0.326 0.000 1.143 422 Y CB 1.421 39.806 38.460 -0.125 0.000 1.230 422 Y HN 0.287 nan 8.280 nan 0.000 0.469 423 F N 1.424 121.473 119.950 0.164 0.000 2.402 423 F HA 0.696 5.223 4.527 -0.000 0.000 0.355 423 F C 0.424 176.302 175.800 0.131 0.000 1.123 423 F CA -0.532 57.544 58.000 0.127 0.000 1.021 423 F CB 1.011 40.068 39.000 0.096 0.000 1.160 423 F HN 0.601 nan 8.300 nan 0.000 0.451 424 A N 2.331 125.301 122.820 0.250 0.000 3.687 424 A HA 0.962 5.282 4.320 -0.000 0.000 0.164 424 A C 0.352 178.067 177.584 0.218 0.000 1.564 424 A CA -0.424 51.727 52.037 0.191 0.000 0.896 424 A CB 0.027 19.097 19.000 0.117 0.000 1.731 424 A HN 1.459 nan 8.150 nan 0.000 0.607 425 G N -2.458 106.450 108.800 0.179 0.000 2.785 425 G HA2 0.103 4.063 3.960 -0.000 0.000 0.686 425 G HA3 0.103 4.063 3.960 -0.000 0.000 0.686 425 G C 0.411 175.442 174.900 0.217 0.000 1.155 425 G CA 0.629 45.843 45.100 0.190 0.000 0.760 425 G HN 1.569 nan 8.290 nan 0.000 0.624 426 T N 0.195 114.878 114.554 0.216 0.000 2.849 426 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 426 T C 2.097 176.997 174.700 0.333 0.000 1.066 426 T CA 2.653 64.907 62.100 0.256 0.000 1.130 426 T CB -0.172 68.842 68.868 0.244 0.000 0.864 426 T HN 0.618 nan 8.240 nan 0.000 0.481 427 E N 0.535 120.938 120.200 0.339 0.000 2.267 427 E HA -0.066 4.284 4.350 -0.000 0.000 0.197 427 E C 2.189 179.051 176.600 0.437 0.000 0.998 427 E CA 1.553 58.206 56.400 0.422 0.000 0.830 427 E CB -0.184 29.725 29.700 0.348 0.000 0.751 427 E HN 0.712 nan 8.360 nan 0.000 0.491 428 T N -2.699 112.075 114.554 0.366 0.000 3.122 428 T HA 0.495 4.845 4.350 -0.000 0.000 0.250 428 T C 0.728 175.670 174.700 0.403 0.000 1.067 428 T CA -0.017 62.302 62.100 0.365 0.000 0.966 428 T CB 0.248 69.305 68.868 0.316 0.000 1.002 428 T HN 0.093 nan 8.240 nan 0.000 0.542 429 A N 1.650 124.712 122.820 0.402 0.000 2.313 429 A HA 0.575 4.895 4.320 -0.000 0.000 0.261 429 A C 1.471 179.320 177.584 0.441 0.000 1.090 429 A CA 0.065 52.338 52.037 0.394 0.000 0.807 429 A CB 0.423 19.614 19.000 0.319 0.000 1.055 429 A HN 0.499 nan 8.150 nan 0.000 0.492 430 T N -2.755 112.035 114.554 0.393 0.000 3.040 430 T HA 0.249 4.599 4.350 -0.000 0.000 0.266 430 T C 0.199 174.994 174.700 0.159 0.000 1.005 430 T CA 0.609 62.891 62.100 0.304 0.000 0.906 430 T CB -0.410 68.574 68.868 0.192 0.000 1.082 430 T HN 0.754 nan 8.240 nan 0.000 0.531 431 H N -1.047 118.042 119.070 0.032 0.000 2.934 431 H HA 0.284 4.840 4.556 -0.000 0.000 0.340 431 H C -0.972 174.369 175.328 0.021 0.000 1.008 431 H CA -1.133 54.854 56.048 -0.103 0.000 1.317 431 H CB 0.904 30.668 29.762 0.003 0.000 1.670 431 H HN 0.302 nan 8.280 nan 0.000 0.516 432 W N 2.153 123.225 121.300 -0.380 0.000 5.271 432 W HA -0.255 4.405 4.660 0.000 0.000 0.364 432 W C 0.499 176.950 176.519 -0.113 0.000 1.342 432 W CA 0.939 58.015 57.345 -0.449 0.000 0.899 432 W CB -1.684 27.442 29.460 -0.557 0.000 2.450 432 W HN 0.405 nan 8.180 nan 0.000 1.508 433 S N 0.546 116.279 115.700 0.054 0.000 2.558 433 S HA 0.372 4.842 4.470 -0.000 0.000 0.293 433 S C 1.410 176.213 174.600 0.339 0.000 1.292 433 S CA 1.748 60.089 58.200 0.235 0.000 1.063 433 S CB 0.766 64.148 63.200 0.303 0.000 0.831 433 S HN 1.406 nan 8.310 nan 0.000 0.499 434 G N 3.215 112.293 108.800 0.463 0.000 2.232 434 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.226 434 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.226 434 G C -0.176 174.879 174.900 0.259 0.000 0.996 434 G CA 0.210 45.606 45.100 0.494 0.000 0.626 434 G HN 0.683 nan 8.290 nan 0.000 0.509 435 Y N -0.011 120.404 120.300 0.191 0.000 2.519 435 Y HA 0.718 5.268 4.550 -0.000 0.000 0.324 435 Y C 2.132 178.072 175.900 0.067 0.000 1.214 435 Y CA -0.675 57.485 58.100 0.100 0.000 1.260 435 Y CB 0.610 39.108 38.460 0.063 0.000 1.311 435 Y HN -0.003 nan 8.280 nan 0.000 0.505 436 M N -0.109 119.591 119.600 0.168 0.000 2.106 436 M HA -0.249 4.231 4.480 -0.000 0.000 0.259 436 M C 1.914 178.274 176.300 0.101 0.000 1.068 436 M CA 2.160 57.528 55.300 0.113 0.000 1.100 436 M CB -0.317 32.341 32.600 0.097 0.000 1.351 436 M HN 0.800 nan 8.290 nan 0.000 0.404 437 E N 0.669 120.905 120.200 0.060 0.000 2.049 437 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 437 E C 1.946 178.608 176.600 0.103 0.000 1.007 437 E CA 2.123 58.525 56.400 0.005 0.000 0.809 437 E CB -0.731 28.846 29.700 -0.205 0.000 0.749 437 E HN 0.448 nan 8.360 nan 0.000 0.450 438 G N -0.076 108.835 108.800 0.185 0.000 2.450 438 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 438 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 438 G C 1.684 176.700 174.900 0.192 0.000 1.130 438 G CA 1.103 46.335 45.100 0.220 0.000 0.760 438 G HN 0.481 nan 8.290 nan 0.000 0.557 439 A N 0.153 123.073 122.820 0.165 0.000 1.898 439 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 439 A C 2.606 180.253 177.584 0.104 0.000 1.181 439 A CA 1.736 53.855 52.037 0.136 0.000 0.620 439 A CB -0.551 18.517 19.000 0.115 0.000 0.819 439 A HN 0.241 nan 8.150 nan 0.000 0.442 440 V N 0.184 120.151 119.914 0.088 0.000 2.261 440 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 440 V C 2.527 178.662 176.094 0.069 0.000 1.047 440 V CA 2.258 64.597 62.300 0.064 0.000 1.015 440 V CB -0.855 30.998 31.823 0.050 0.000 0.642 440 V HN 0.730 nan 8.190 nan 0.000 0.446 441 E N 0.358 120.618 120.200 0.099 0.000 2.065 441 E HA -0.328 4.022 4.350 -0.000 0.000 0.201 441 E C 2.195 178.842 176.600 0.077 0.000 1.016 441 E CA 2.047 58.517 56.400 0.117 0.000 0.818 441 E CB -0.204 29.613 29.700 0.195 0.000 0.749 441 E HN 0.560 nan 8.360 nan 0.000 0.453 442 A N 0.392 123.277 122.820 0.109 0.000 1.929 442 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 442 A C 2.383 179.992 177.584 0.042 0.000 1.176 442 A CA 1.582 53.676 52.037 0.095 0.000 0.628 442 A CB -0.841 18.261 19.000 0.171 0.000 0.816 442 A HN 0.444 nan 8.150 nan 0.000 0.444 443 G N -0.241 108.588 108.800 0.048 0.000 2.404 443 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 443 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 443 G C 1.411 176.300 174.900 -0.018 0.000 1.174 443 G CA 0.904 46.019 45.100 0.025 0.000 0.780 443 G HN 0.633 nan 8.290 nan 0.000 0.537 444 E N -0.034 120.152 120.200 -0.023 0.000 2.077 444 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 444 E C 2.512 179.043 176.600 -0.115 0.000 0.989 444 E CA 0.544 56.913 56.400 -0.051 0.000 0.800 444 E CB -0.164 29.520 29.700 -0.026 0.000 0.746 444 E HN 0.309 nan 8.360 nan 0.000 0.452 445 R N 1.006 121.403 120.500 -0.172 0.000 2.081 445 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 445 R C 2.208 178.342 176.300 -0.278 0.000 1.131 445 R CA 1.454 57.342 56.100 -0.353 0.000 0.960 445 R CB -0.223 29.706 30.300 -0.619 0.000 0.856 445 R HN 0.154 nan 8.270 nan 0.000 0.436 446 A N 0.722 123.450 122.820 -0.154 0.000 1.930 446 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 446 A C 2.374 179.856 177.584 -0.170 0.000 1.175 446 A CA 1.473 53.458 52.037 -0.086 0.000 0.627 446 A CB -0.623 18.389 19.000 0.021 0.000 0.815 446 A HN 0.530 nan 8.150 nan 0.000 0.443 447 A N 0.024 122.759 122.820 -0.142 0.000 1.883 447 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 447 A C 2.244 179.708 177.584 -0.199 0.000 1.186 447 A CA 1.675 53.619 52.037 -0.154 0.000 0.624 447 A CB -0.476 18.468 19.000 -0.094 0.000 0.822 447 A HN 0.537 nan 8.150 nan 0.000 0.444 448 R N -0.534 119.855 120.500 -0.184 0.000 2.189 448 R HA -0.053 4.287 4.340 -0.000 0.000 0.218 448 R C 1.986 178.169 176.300 -0.195 0.000 1.074 448 R CA 1.131 57.128 56.100 -0.172 0.000 0.991 448 R CB -0.193 30.014 30.300 -0.155 0.000 0.883 448 R HN 0.694 nan 8.270 nan 0.000 0.457 449 E N 0.671 120.715 120.200 -0.259 0.000 2.077 449 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 449 E C 1.919 178.218 176.600 -0.500 0.000 0.989 449 E CA 1.056 57.301 56.400 -0.259 0.000 0.800 449 E CB -0.066 29.518 29.700 -0.193 0.000 0.746 449 E HN 0.314 nan 8.360 nan 0.000 0.452 450 I N 1.060 121.177 120.570 -0.753 0.000 2.226 450 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 450 I C 2.319 178.111 176.117 -0.542 0.000 1.100 450 I CA 0.954 61.710 61.300 -0.907 0.000 1.374 450 I CB -0.171 37.337 38.000 -0.820 0.000 1.057 450 I HN 0.111 nan 8.210 nan 0.000 0.413 451 L N -0.158 120.875 121.223 -0.316 0.000 2.042 451 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 451 L C 2.724 179.521 176.870 -0.122 0.000 1.076 451 L CA 1.649 56.382 54.840 -0.179 0.000 0.749 451 L CB -0.934 41.059 42.059 -0.109 0.000 0.893 451 L HN 0.362 nan 8.230 nan 0.000 0.432 452 H N 0.201 119.159 119.070 -0.186 0.000 2.321 452 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 452 H C 2.136 177.399 175.328 -0.108 0.000 1.087 452 H CA 1.507 57.484 56.048 -0.118 0.000 1.319 452 H CB -0.013 29.697 29.762 -0.087 0.000 1.379 452 H HN 0.249 nan 8.280 nan 0.000 0.501 453 A N 0.589 123.205 122.820 -0.341 0.000 1.986 453 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 453 A C 2.295 179.767 177.584 -0.186 0.000 1.171 453 A CA 1.901 53.762 52.037 -0.293 0.000 0.640 453 A CB -0.707 18.117 19.000 -0.294 0.000 0.811 453 A HN 0.587 nan 8.150 nan 0.000 0.451 454 M N -1.443 118.037 119.600 -0.199 0.000 2.618 454 M HA 0.146 4.626 4.480 -0.000 0.000 0.240 454 M C 1.401 177.659 176.300 -0.070 0.000 1.123 454 M CA 0.742 56.000 55.300 -0.070 0.000 1.060 454 M CB 0.093 32.656 32.600 -0.061 0.000 1.535 454 M HN 0.636 nan 8.290 nan 0.000 0.507 455 G N 1.087 109.811 108.800 -0.126 0.000 2.162 455 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 455 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 455 G C 0.925 175.803 174.900 -0.036 0.000 0.976 455 G CA 0.620 45.669 45.100 -0.084 0.000 0.655 455 G HN 0.478 nan 8.290 nan 0.000 0.533 456 K N -0.364 120.014 120.400 -0.037 0.000 2.243 456 K HA 0.307 4.627 4.320 -0.000 0.000 0.201 456 K C 1.332 177.936 176.600 0.007 0.000 1.051 456 K CA 1.332 57.609 56.287 -0.017 0.000 0.970 456 K CB 0.210 32.691 32.500 -0.031 0.000 0.755 456 K HN 0.815 nan 8.250 nan 0.000 0.465 457 I N -2.224 118.368 120.570 0.038 0.000 2.994 457 I HA 0.450 4.620 4.170 -0.000 0.000 0.306 457 I C -3.017 173.189 176.117 0.147 0.000 1.195 457 I CA -3.024 58.313 61.300 0.062 0.000 1.001 457 I CB 2.333 40.351 38.000 0.031 0.000 1.244 457 I HN -0.265 nan 8.210 nan 0.000 0.437 458 P HA 0.145 nan 4.420 nan 0.000 0.276 458 P C 0.180 177.459 177.300 -0.036 0.000 1.261 458 P CA -0.071 63.092 63.100 0.106 0.000 0.800 458 P CB 0.959 32.690 31.700 0.052 0.000 1.066 459 E N 0.811 120.899 120.200 -0.186 0.000 2.110 459 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 459 E C 1.052 177.552 176.600 -0.166 0.000 0.988 459 E CA 1.503 57.631 56.400 -0.453 0.000 0.804 459 E CB -0.320 29.218 29.700 -0.271 0.000 0.745 459 E HN 0.509 nan 8.360 nan 0.000 0.458 460 D N -0.254 120.113 120.400 -0.056 0.000 2.363 460 D HA -0.120 4.520 4.640 -0.000 0.000 0.226 460 D C 0.871 177.188 176.300 0.028 0.000 1.020 460 D CA 0.444 54.450 54.000 0.009 0.000 0.892 460 D CB -0.275 40.535 40.800 0.016 0.000 0.900 460 D HN 0.239 nan 8.370 nan 0.000 0.531 461 E N -0.298 119.899 120.200 -0.004 0.000 2.474 461 E HA 0.177 4.527 4.350 -0.000 0.000 0.195 461 E C 1.865 178.455 176.600 -0.017 0.000 1.039 461 E CA -0.283 56.121 56.400 0.006 0.000 0.881 461 E CB 0.331 30.032 29.700 0.001 0.000 0.970 461 E HN 0.324 nan 8.360 nan 0.000 0.486 462 I N 0.039 120.584 120.570 -0.043 0.000 2.163 462 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 462 I C 0.533 176.519 176.117 -0.219 0.000 1.085 462 I CA 1.231 62.443 61.300 -0.147 0.000 1.347 462 I CB 0.018 37.914 38.000 -0.174 0.000 1.044 462 I HN 0.102 nan 8.210 nan 0.000 0.408 463 W N 1.333 122.631 121.300 -0.002 0.000 2.391 463 W HA 0.514 5.174 4.660 -0.000 0.000 0.311 463 W C 0.092 176.617 176.519 0.011 0.000 1.087 463 W CA -0.225 57.130 57.345 0.016 0.000 1.209 463 W CB 0.678 30.150 29.460 0.020 0.000 1.273 463 W HN -0.059 nan 8.180 nan 0.000 0.482 464 Q N 2.524 122.448 119.800 0.206 0.000 2.337 464 Q HA 0.398 4.738 4.340 -0.000 0.000 0.270 464 Q C 0.075 176.154 176.000 0.131 0.000 1.043 464 Q CA -0.518 55.362 55.803 0.127 0.000 0.794 464 Q CB 1.799 30.577 28.738 0.066 0.000 1.281 464 Q HN 0.585 nan 8.270 nan 0.000 0.446 465 S N 2.372 118.133 115.700 0.102 0.000 2.589 465 S HA 0.277 4.747 4.470 -0.000 0.000 0.265 465 S C -0.177 174.469 174.600 0.077 0.000 1.342 465 S CA -0.515 57.737 58.200 0.087 0.000 1.005 465 S CB 1.313 64.547 63.200 0.057 0.000 0.909 465 S HN 0.658 nan 8.310 nan 0.000 0.555 466 E N 1.072 121.319 120.200 0.078 0.000 2.224 466 E HA 0.553 4.903 4.350 -0.000 0.000 0.265 466 E C -2.658 173.975 176.600 0.054 0.000 0.878 466 E CA -2.142 54.298 56.400 0.067 0.000 0.759 466 E CB 1.071 30.820 29.700 0.082 0.000 1.164 466 E HN 0.578 nan 8.360 nan 0.000 0.414 467 P HA 0.103 nan 4.420 nan 0.000 0.272 467 P C -0.589 176.731 177.300 0.033 0.000 1.223 467 P CA -0.290 62.830 63.100 0.033 0.000 0.784 467 P CB 0.614 32.329 31.700 0.025 0.000 0.923 468 E N 0.999 121.216 120.200 0.030 0.000 2.376 468 E HA 0.068 4.418 4.350 -0.000 0.000 0.266 468 E C -0.057 176.555 176.600 0.019 0.000 1.009 468 E CA -0.256 56.161 56.400 0.027 0.000 0.902 468 E CB 0.375 30.089 29.700 0.024 0.000 0.972 468 E HN 0.353 nan 8.360 nan 0.000 0.439 469 S N 3.142 118.851 115.700 0.015 0.000 2.575 469 S HA -0.069 4.401 4.470 -0.000 0.000 0.295 469 S C 1.207 175.812 174.600 0.008 0.000 1.267 469 S CA 0.016 58.221 58.200 0.010 0.000 1.074 469 S CB 0.596 63.796 63.200 -0.000 0.000 0.829 469 S HN 0.535 nan 8.310 nan 0.000 0.497 470 V N 2.366 122.286 119.914 0.010 0.000 2.871 470 V HA 0.025 4.145 4.120 -0.000 0.000 0.256 470 V C 1.537 177.636 176.094 0.008 0.000 1.082 470 V CA 1.568 63.874 62.300 0.009 0.000 1.105 470 V CB -0.527 31.302 31.823 0.010 0.000 0.713 470 V HN 0.829 nan 8.190 nan 0.000 0.473 471 D N 1.064 121.469 120.400 0.008 0.000 2.194 471 D HA 0.048 4.688 4.640 -0.000 0.000 0.204 471 D C 0.842 177.140 176.300 -0.003 0.000 0.964 471 D CA 1.336 55.340 54.000 0.008 0.000 0.846 471 D CB 0.597 41.407 40.800 0.016 0.000 0.962 471 D HN 0.531 nan 8.370 nan 0.000 0.490 472 V N 3.353 123.260 119.914 -0.012 0.000 2.405 472 V HA 0.183 4.303 4.120 -0.000 0.000 0.253 472 V C -2.399 173.682 176.094 -0.022 0.000 0.963 472 V CA -1.205 61.078 62.300 -0.029 0.000 1.003 472 V CB 1.295 33.085 31.823 -0.056 0.000 1.251 472 V HN -0.035 nan 8.190 nan 0.000 0.520 473 P HA 0.372 nan 4.420 nan 0.000 0.274 473 P C -0.257 177.039 177.300 -0.006 0.000 1.231 473 P CA 0.073 63.170 63.100 -0.004 0.000 0.790 473 P CB 1.589 33.289 31.700 0.000 0.000 0.951 474 A N 2.908 125.730 122.820 0.004 0.000 2.331 474 A HA 0.357 4.677 4.320 -0.000 0.000 0.283 474 A C 0.211 177.798 177.584 0.005 0.000 1.142 474 A CA -0.319 51.722 52.037 0.008 0.000 0.812 474 A CB 0.043 19.059 19.000 0.026 0.000 1.074 474 A HN 0.448 nan 8.150 nan 0.000 0.497 475 Q N 1.182 120.983 119.800 0.001 0.000 2.214 475 Q HA 0.486 4.826 4.340 -0.000 0.000 0.251 475 Q C -2.415 173.584 176.000 -0.002 0.000 0.936 475 Q CA -2.129 53.673 55.803 -0.001 0.000 0.894 475 Q CB 0.408 29.144 28.738 -0.004 0.000 1.252 475 Q HN 0.488 nan 8.270 nan 0.000 0.448 476 P HA 0.108 nan 4.420 nan 0.000 0.269 476 P C -0.448 176.845 177.300 -0.012 0.000 1.215 476 P CA -0.160 62.935 63.100 -0.008 0.000 0.780 476 P CB 0.521 32.217 31.700 -0.007 0.000 0.898 477 I N 2.137 122.695 120.570 -0.019 0.000 2.342 477 I HA 0.204 4.374 4.170 -0.000 0.000 0.291 477 I C 0.963 177.067 176.117 -0.022 0.000 1.010 477 I CA 0.081 61.366 61.300 -0.024 0.000 1.308 477 I CB 0.424 38.403 38.000 -0.036 0.000 1.400 477 I HN 0.407 nan 8.210 nan 0.000 0.488 478 T N 1.951 116.495 114.554 -0.016 0.000 2.932 478 T HA 0.807 5.157 4.350 -0.000 0.000 0.289 478 T C -0.005 174.687 174.700 -0.012 0.000 1.039 478 T CA -0.687 61.407 62.100 -0.010 0.000 1.024 478 T CB 2.184 71.053 68.868 0.002 0.000 1.090 478 T HN 0.643 nan 8.240 nan 0.000 0.496 479 T N -1.381 113.165 114.554 -0.014 0.000 2.916 479 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 479 T C 0.286 174.991 174.700 0.008 0.000 1.064 479 T CA -0.701 61.387 62.100 -0.019 0.000 1.011 479 T CB 1.305 70.138 68.868 -0.058 0.000 1.152 479 T HN 1.022 nan 8.240 nan 0.000 0.510 480 T N -0.609 113.956 114.554 0.018 0.000 2.874 480 T HA 0.395 4.745 4.350 -0.000 0.000 0.281 480 T C 0.881 175.629 174.700 0.081 0.000 0.994 480 T CA -0.839 61.305 62.100 0.074 0.000 1.015 480 T CB 0.598 69.523 68.868 0.095 0.000 1.028 480 T HN 0.549 nan 8.240 nan 0.000 0.523 481 F N 0.913 120.887 119.950 0.040 0.000 2.091 481 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 481 F C 1.890 177.758 175.800 0.114 0.000 1.103 481 F CA 1.527 59.586 58.000 0.099 0.000 1.228 481 F CB -0.462 38.607 39.000 0.115 0.000 0.984 481 F HN 0.509 nan 8.300 nan 0.000 0.477 482 L N 0.004 121.337 121.223 0.183 0.000 2.056 482 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 482 L C 2.392 179.251 176.870 -0.018 0.000 1.078 482 L CA 1.534 56.433 54.840 0.099 0.000 0.749 482 L CB -0.772 41.400 42.059 0.188 0.000 0.901 482 L HN 0.153 nan 8.230 nan 0.000 0.433 483 E N 0.011 120.194 120.200 -0.028 0.000 2.070 483 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 483 E C 2.338 178.822 176.600 -0.193 0.000 1.004 483 E CA 1.326 57.672 56.400 -0.089 0.000 0.805 483 E CB -0.092 29.562 29.700 -0.078 0.000 0.744 483 E HN 0.417 nan 8.360 nan 0.000 0.451 484 R N -0.516 119.789 120.500 -0.325 0.000 2.115 484 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 484 R C 1.718 177.597 176.300 -0.701 0.000 1.100 484 R CA 0.984 56.750 56.100 -0.557 0.000 0.980 484 R CB 0.052 29.891 30.300 -0.769 0.000 0.875 484 R HN 0.328 nan 8.270 nan 0.000 0.445 485 H N -0.883 118.005 119.070 -0.305 0.000 3.046 485 H HA 0.205 4.761 4.556 -0.000 0.000 0.262 485 H C 0.435 175.671 175.328 -0.153 0.000 1.044 485 H CA -0.250 55.627 56.048 -0.284 0.000 1.209 485 H CB 0.454 29.919 29.762 -0.495 0.000 1.507 485 H HN 0.004 nan 8.280 nan 0.000 0.507 486 L N 4.596 125.809 121.223 -0.016 0.000 2.543 486 L HA -0.001 4.339 4.340 -0.000 0.000 0.285 486 L C -1.661 175.205 176.870 -0.005 0.000 1.236 486 L CA -1.077 53.777 54.840 0.022 0.000 0.871 486 L CB 0.129 42.230 42.059 0.070 0.000 1.121 486 L HN 0.013 nan 8.230 nan 0.000 0.501 487 P HA 0.149 nan 4.420 nan 0.000 0.276 487 P C -0.672 176.597 177.300 -0.052 0.000 1.252 487 P CA -0.633 62.448 63.100 -0.032 0.000 0.802 487 P CB 1.157 32.835 31.700 -0.036 0.000 1.035 488 S N -0.121 115.530 115.700 -0.082 0.000 2.634 488 S HA 0.111 4.581 4.470 -0.000 0.000 0.261 488 S C 1.533 176.018 174.600 -0.191 0.000 1.271 488 S CA -0.564 57.568 58.200 -0.115 0.000 0.985 488 S CB -0.374 62.756 63.200 -0.116 0.000 0.968 488 S HN 0.217 nan 8.310 nan 0.000 0.568 489 V N 2.350 122.091 119.914 -0.288 0.000 2.233 489 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 489 V C -0.453 175.234 176.094 -0.677 0.000 1.050 489 V CA 2.050 64.068 62.300 -0.470 0.000 1.010 489 V CB -1.974 29.541 31.823 -0.513 0.000 0.637 489 V HN 0.804 nan 8.190 nan 0.000 0.444 490 P HA -0.106 nan 4.420 nan 0.000 0.220 490 P C 1.677 178.796 177.300 -0.302 0.000 1.148 490 P CA 1.956 64.669 63.100 -0.646 0.000 0.803 490 P CB -0.283 31.179 31.700 -0.397 0.000 0.782 491 G N 0.407 109.068 108.800 -0.231 0.000 2.402 491 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 491 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 491 G C 1.477 176.306 174.900 -0.119 0.000 1.162 491 G CA 0.381 45.401 45.100 -0.133 0.000 0.777 491 G HN 0.223 nan 8.290 nan 0.000 0.539 492 L N 0.582 121.720 121.223 -0.142 0.000 2.056 492 L HA 0.146 4.486 4.340 -0.000 0.000 0.207 492 L C 2.693 179.498 176.870 -0.109 0.000 1.078 492 L CA 1.220 55.996 54.840 -0.106 0.000 0.749 492 L CB -0.413 41.587 42.059 -0.099 0.000 0.901 492 L HN 0.179 nan 8.230 nan 0.000 0.433 493 L N -0.939 120.186 121.223 -0.163 0.000 2.012 493 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 493 L C 2.733 179.551 176.870 -0.086 0.000 1.073 493 L CA 1.439 56.197 54.840 -0.136 0.000 0.748 493 L CB -0.552 41.384 42.059 -0.205 0.000 0.891 493 L HN 0.231 nan 8.230 nan 0.000 0.431 494 R N -0.212 120.235 120.500 -0.088 0.000 2.127 494 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 494 R C 0.914 177.191 176.300 -0.037 0.000 1.134 494 R CA 0.884 56.953 56.100 -0.051 0.000 0.975 494 R CB -0.206 30.066 30.300 -0.047 0.000 0.865 494 R HN 0.142 nan 8.270 nan 0.000 0.447 495 L N 0.849 122.046 121.223 -0.042 0.000 2.922 495 L HA 0.258 4.598 4.340 -0.000 0.000 0.244 495 L C -0.259 176.596 176.870 -0.026 0.000 1.324 495 L CA 0.829 55.652 54.840 -0.029 0.000 1.172 495 L CB -0.571 41.471 42.059 -0.029 0.000 1.545 495 L HN 0.107 nan 8.230 nan 0.000 0.438 496 I N 0.000 120.556 120.570 -0.024 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.289 61.300 -0.018 0.000 1.566 496 I CB 0.000 37.987 38.000 -0.022 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494