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 1h6v_1_C DATA FIRST_RESID 14 DATA SEQUENCE DLIIIGGGSG GLAAAKEAAK FDKKVMVLDF VTPTPLGTNW GLGGTcVNVG DATA SEQUENCE cIPKKLMHQA ALLGQALKDS RNYGWKLEDT VKHDWEKMTE SVQNHIGSLN DATA SEQUENCE WGYRVALREK KVVYENAYGK FIGPHKIMAT NNKGKEKVYS AERFLIATGE DATA SEQUENCE RPRYLGIPGD KEYCISSDDL FSLPYCPGKT LVVGASYVAL ECAGFLAGIG DATA SEQUENCE LDVTVMVRSI LLRGFDQDMA NKIGEHMEEH GIKFIRQFVP TKIEQIEAGT DATA SEQUENCE PGRLKVTAKS TNSEETIEDE FNTVLLAVGR DSCTRTIGLE TVGVKINEKT DATA SEQUENCE GKIPVTDEEQ TNVPYIYAIG DILEGKLELT PVAIQAGRLL AQRLYGGSTV DATA SEQUENCE KCDYDNVPTT VFTPLEYGCC GLSEEKAVEK FGEENIEVYH SFFWPLEWTV DATA SEQUENCE PSRDNNKCYA KVICNLKDNE RVVGFHVLGP NAGEVTQGFA AALKCGLTKQ DATA SEQUENCE QLDSTIGIHP VCAEIFTTLS VTKRSGGDIL QS 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.219 176.300 -0.135 0.000 2.045 14 D CA 0.000 53.947 54.000 -0.089 0.000 0.868 14 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 15 L N 0.437 121.538 121.223 -0.203 0.000 2.506 15 L HA 0.689 5.029 4.340 0.000 0.000 0.257 15 L C -2.293 174.389 176.870 -0.312 0.000 0.964 15 L CA -0.500 54.187 54.840 -0.257 0.000 0.836 15 L CB 2.473 44.491 42.059 -0.069 0.000 1.384 15 L HN 0.081 nan 8.230 nan 0.000 0.410 16 I N 3.776 124.105 120.570 -0.403 0.000 2.769 16 I HA 0.516 4.687 4.170 0.000 0.000 0.298 16 I C -1.174 174.921 176.117 -0.038 0.000 1.128 16 I CA -0.577 60.596 61.300 -0.212 0.000 1.031 16 I CB 2.440 40.333 38.000 -0.180 0.000 1.235 16 I HN 0.498 nan 8.210 nan 0.000 0.423 17 I N 6.383 126.955 120.570 0.003 0.000 2.439 17 I HA 0.319 4.489 4.170 0.000 0.000 0.283 17 I C 0.090 176.236 176.117 0.049 0.000 1.023 17 I CA -0.429 60.903 61.300 0.053 0.000 1.100 17 I CB 1.622 39.641 38.000 0.031 0.000 1.238 17 I HN 0.406 nan 8.210 nan 0.000 0.445 18 I N 4.022 124.633 120.570 0.069 0.000 2.204 18 I HA 0.726 4.896 4.170 0.000 0.000 0.291 18 I C 0.103 176.258 176.117 0.062 0.000 1.153 18 I CA 0.165 61.477 61.300 0.020 0.000 1.546 18 I CB -0.292 37.672 38.000 -0.060 0.000 1.490 18 I HN 0.635 nan 8.210 nan 0.000 0.697 19 G N 2.384 111.228 108.800 0.074 0.000 2.299 19 G HA2 0.349 4.310 3.960 0.000 0.000 0.312 19 G HA3 0.349 4.310 3.960 0.000 0.000 0.312 19 G C -0.065 174.871 174.900 0.060 0.000 1.654 19 G CA -0.369 44.785 45.100 0.089 0.000 0.912 19 G HN 0.451 nan 8.290 nan 0.000 0.667 20 G N 0.199 109.041 108.800 0.071 0.000 3.383 20 G HA2 0.515 4.476 3.960 0.000 0.000 0.251 20 G HA3 0.515 4.476 3.960 0.000 0.000 0.251 20 G C 0.852 175.719 174.900 -0.056 0.000 1.203 20 G CA 0.752 45.850 45.100 -0.003 0.000 0.852 20 G HN 0.972 nan 8.290 nan 0.000 0.531 21 G N -0.049 108.740 108.800 -0.018 0.000 2.531 21 G HA2 0.374 4.334 3.960 0.000 0.000 0.281 21 G HA3 0.374 4.334 3.960 0.000 0.000 0.281 21 G C 1.219 176.071 174.900 -0.080 0.000 1.382 21 G CA 0.466 45.550 45.100 -0.028 0.000 1.045 21 G HN 0.155 nan 8.290 nan 0.000 0.533 22 S N -0.234 115.446 115.700 -0.033 0.000 2.351 22 S HA -0.128 4.342 4.470 0.000 0.000 0.220 22 S C 2.482 177.082 174.600 0.000 0.000 1.035 22 S CA 1.595 59.784 58.200 -0.017 0.000 1.031 22 S CB -0.814 62.402 63.200 0.027 0.000 0.928 22 S HN 0.800 nan 8.310 nan 0.000 0.433 23 G N 1.348 110.165 108.800 0.028 0.000 2.414 23 G HA2 0.046 4.007 3.960 0.000 0.000 0.215 23 G HA3 0.046 4.007 3.960 0.000 0.000 0.215 23 G C 1.495 176.411 174.900 0.027 0.000 1.188 23 G CA 0.833 45.958 45.100 0.042 0.000 0.783 23 G HN 0.569 nan 8.290 nan 0.000 0.537 24 G N 1.224 110.038 108.800 0.022 0.000 2.553 24 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 24 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 24 G C 1.817 176.709 174.900 -0.014 0.000 1.195 24 G CA 1.061 46.171 45.100 0.017 0.000 0.779 24 G HN 0.411 nan 8.290 nan 0.000 0.577 25 L N 0.644 121.827 121.223 -0.066 0.000 2.046 25 L HA -0.053 4.287 4.340 0.000 0.000 0.208 25 L C 3.456 180.311 176.870 -0.025 0.000 1.077 25 L CA 1.017 55.799 54.840 -0.096 0.000 0.747 25 L CB -0.794 41.108 42.059 -0.261 0.000 0.896 25 L HN 0.323 nan 8.230 nan 0.000 0.432 26 A N 0.664 123.480 122.820 -0.006 0.000 1.873 26 A HA -0.263 4.057 4.320 0.000 0.000 0.218 26 A C 2.593 180.192 177.584 0.024 0.000 1.193 26 A CA 2.322 54.374 52.037 0.026 0.000 0.629 26 A CB -0.870 18.149 19.000 0.031 0.000 0.826 26 A HN 0.420 nan 8.150 nan 0.000 0.447 27 A N -0.297 122.537 122.820 0.022 0.000 1.841 27 A HA 0.095 4.415 4.320 0.000 0.000 0.216 27 A C 2.609 180.208 177.584 0.024 0.000 1.199 27 A CA 2.831 54.885 52.037 0.027 0.000 0.621 27 A CB -1.446 17.572 19.000 0.029 0.000 0.835 27 A HN 1.376 nan 8.150 nan 0.000 0.445 28 A N -0.193 122.632 122.820 0.009 0.000 1.929 28 A HA -0.341 3.979 4.320 0.000 0.000 0.221 28 A C 2.135 179.715 177.584 -0.006 0.000 1.211 28 A CA 2.800 54.834 52.037 -0.006 0.000 0.657 28 A CB -0.719 18.270 19.000 -0.017 0.000 0.827 28 A HN 0.633 nan 8.150 nan 0.000 0.462 29 K N -0.900 119.501 120.400 0.002 0.000 2.020 29 K HA -0.263 4.057 4.320 0.000 0.000 0.212 29 K C 2.121 178.721 176.600 0.000 0.000 1.050 29 K CA 2.055 58.344 56.287 0.003 0.000 0.929 29 K CB -0.175 32.340 32.500 0.025 0.000 0.714 29 K HN 0.446 nan 8.250 nan 0.000 0.443 30 E N 0.114 120.328 120.200 0.023 0.000 2.046 30 E HA -0.057 4.293 4.350 0.000 0.000 0.190 30 E C 1.668 178.316 176.600 0.080 0.000 0.982 30 E CA 1.381 57.809 56.400 0.046 0.000 0.800 30 E CB -0.340 29.404 29.700 0.073 0.000 0.756 30 E HN 0.391 nan 8.360 nan 0.000 0.449 31 A N 1.343 124.209 122.820 0.076 0.000 1.870 31 A HA -0.239 4.081 4.320 0.000 0.000 0.219 31 A C 2.337 179.921 177.584 -0.000 0.000 1.224 31 A CA 2.568 54.644 52.037 0.065 0.000 0.650 31 A CB -1.482 17.516 19.000 -0.004 0.000 0.836 31 A HN 0.411 nan 8.150 nan 0.000 0.454 32 A N -1.459 121.335 122.820 -0.044 0.000 2.283 32 A HA -0.032 4.288 4.320 0.000 0.000 0.203 32 A C 1.720 179.255 177.584 -0.082 0.000 1.297 32 A CA 1.947 53.942 52.037 -0.070 0.000 0.828 32 A CB -0.513 18.450 19.000 -0.061 0.000 0.749 32 A HN 0.508 nan 8.150 nan 0.000 0.511 33 K N -0.216 120.136 120.400 -0.081 0.000 1.980 33 K HA 0.058 4.378 4.320 0.000 0.000 0.208 33 K C 0.159 176.531 176.600 -0.380 0.000 1.043 33 K CA 1.229 57.329 56.287 -0.313 0.000 0.938 33 K CB -0.269 31.878 32.500 -0.588 0.000 0.724 33 K HN 0.456 nan 8.250 nan 0.000 0.438 34 F N 2.024 121.945 119.950 -0.048 0.000 2.833 34 F HA 0.134 4.661 4.527 -0.000 0.000 0.327 34 F C -0.119 175.644 175.800 -0.061 0.000 1.184 34 F CA -0.705 57.275 58.000 -0.034 0.000 1.328 34 F CB -1.106 37.900 39.000 0.010 0.000 1.440 34 F HN 0.136 nan 8.300 nan 0.000 0.569 35 D N 1.415 121.827 120.400 0.021 0.000 2.740 35 D HA -0.271 4.369 4.640 0.000 0.000 0.231 35 D C -0.527 175.759 176.300 -0.024 0.000 1.194 35 D CA 0.675 54.671 54.000 -0.007 0.000 0.673 35 D CB -0.639 40.165 40.800 0.008 0.000 0.995 35 D HN 0.305 nan 8.370 nan 0.000 0.411 36 K N 1.348 121.698 120.400 -0.085 0.000 2.450 36 K HA 0.253 4.573 4.320 0.000 0.000 0.257 36 K C -0.218 176.285 176.600 -0.162 0.000 0.953 36 K CA -0.820 55.368 56.287 -0.165 0.000 0.844 36 K CB 1.074 33.333 32.500 -0.402 0.000 1.103 36 K HN 0.092 nan 8.250 nan 0.000 0.429 37 K N 2.511 122.848 120.400 -0.105 0.000 2.437 37 K HA 0.134 4.454 4.320 0.000 0.000 0.277 37 K C 0.062 176.599 176.600 -0.105 0.000 1.073 37 K CA -0.346 55.892 56.287 -0.080 0.000 1.105 37 K CB -0.214 32.260 32.500 -0.043 0.000 0.881 37 K HN 0.298 nan 8.250 nan 0.000 0.475 38 V N 0.277 120.134 119.914 -0.095 0.000 3.007 38 V HA 0.643 4.763 4.120 0.000 0.000 0.311 38 V C -0.837 175.217 176.094 -0.066 0.000 1.120 38 V CA -1.260 60.979 62.300 -0.101 0.000 0.980 38 V CB 2.066 33.813 31.823 -0.126 0.000 1.033 38 V HN 0.943 nan 8.190 nan 0.000 0.429 39 M N 3.682 123.237 119.600 -0.076 0.000 2.724 39 M HA 0.896 5.376 4.480 0.000 0.000 0.310 39 M C -1.714 174.556 176.300 -0.050 0.000 1.217 39 M CA -0.878 54.382 55.300 -0.066 0.000 0.894 39 M CB 2.237 34.764 32.600 -0.122 0.000 1.719 39 M HN 1.036 nan 8.290 nan 0.000 0.479 40 V N 4.721 124.631 119.914 -0.007 0.000 2.668 40 V HA 0.513 4.633 4.120 0.000 0.000 0.304 40 V C -1.766 174.386 176.094 0.097 0.000 1.071 40 V CA -0.725 61.596 62.300 0.035 0.000 0.894 40 V CB 2.081 33.930 31.823 0.042 0.000 1.008 40 V HN 0.796 nan 8.190 nan 0.000 0.425 41 L N 4.571 125.829 121.223 0.059 0.000 2.358 41 L HA 0.819 5.159 4.340 0.000 0.000 0.268 41 L C -0.569 176.417 176.870 0.193 0.000 1.032 41 L CA -0.082 54.809 54.840 0.084 0.000 0.805 41 L CB 1.791 43.838 42.059 -0.020 0.000 1.253 41 L HN 0.921 nan 8.230 nan 0.000 0.452 42 D N 0.617 121.192 120.400 0.292 0.000 2.685 42 D HA 0.488 5.129 4.640 0.000 0.000 0.236 42 D C -1.915 174.621 176.300 0.393 0.000 1.233 42 D CA -0.190 53.995 54.000 0.310 0.000 0.760 42 D CB 1.747 42.707 40.800 0.267 0.000 1.410 42 D HN 0.253 nan 8.370 nan 0.000 0.439 43 F N 2.514 122.554 119.950 0.150 0.000 2.655 43 F HA 0.348 4.875 4.527 0.000 0.000 0.324 43 F C -0.517 175.283 175.800 -0.001 0.000 1.081 43 F CA -0.619 57.429 58.000 0.081 0.000 1.088 43 F CB 0.490 39.557 39.000 0.111 0.000 1.327 43 F HN 0.274 nan 8.300 nan 0.000 0.522 44 V N 1.191 120.857 119.914 -0.414 0.000 4.057 44 V HA 0.927 5.047 4.120 0.000 0.000 0.264 44 V C -0.291 175.689 176.094 -0.190 0.000 0.923 44 V CA 0.330 62.420 62.300 -0.350 0.000 0.799 44 V CB 0.842 32.227 31.823 -0.730 0.000 1.166 44 V HN 0.965 nan 8.190 nan 0.000 0.375 45 T N -1.704 112.677 114.554 -0.290 0.000 3.003 45 T HA 0.469 4.819 4.350 0.000 0.000 0.354 45 T C -3.083 171.470 174.700 -0.245 0.000 1.651 45 T CA -0.611 61.387 62.100 -0.169 0.000 1.103 45 T CB 1.097 69.898 68.868 -0.111 0.000 1.450 45 T HN 0.658 nan 8.240 nan 0.000 0.484 46 P HA 0.418 nan 4.420 nan 0.000 0.274 46 P C 0.238 177.509 177.300 -0.049 0.000 1.256 46 P CA -0.348 62.672 63.100 -0.134 0.000 0.795 46 P CB 0.402 32.051 31.700 -0.085 0.000 1.038 47 T N -2.863 111.695 114.554 0.005 0.000 2.884 47 T HA 0.360 4.710 4.350 0.000 0.000 0.277 47 T C -1.930 172.774 174.700 0.008 0.000 0.976 47 T CA -1.906 60.235 62.100 0.069 0.000 0.956 47 T CB 0.170 69.139 68.868 0.168 0.000 1.113 47 T HN 0.084 nan 8.240 nan 0.000 0.554 48 P HA 0.046 nan 4.420 nan 0.000 0.223 48 P C 0.890 178.190 177.300 -0.001 0.000 1.144 48 P CA 0.575 63.631 63.100 -0.073 0.000 0.783 48 P CB 0.048 31.646 31.700 -0.169 0.000 0.771 49 L N -2.433 118.819 121.223 0.048 0.000 2.728 49 L HA 0.340 4.680 4.340 0.000 0.000 0.238 49 L C 1.373 178.268 176.870 0.042 0.000 1.143 49 L CA 0.717 55.594 54.840 0.061 0.000 0.937 49 L CB -1.328 40.790 42.059 0.098 0.000 1.225 49 L HN 0.131 nan 8.230 nan 0.000 0.507 50 G N 1.394 110.205 108.800 0.018 0.000 2.258 50 G HA2 -0.351 3.610 3.960 0.000 0.000 0.274 50 G HA3 -0.351 3.610 3.960 0.000 0.000 0.274 50 G C 0.701 175.588 174.900 -0.022 0.000 1.021 50 G CA 0.940 46.032 45.100 -0.014 0.000 0.798 50 G HN 0.489 nan 8.290 nan 0.000 0.507 51 T N -1.712 112.855 114.554 0.022 0.000 2.860 51 T HA 0.542 4.892 4.350 0.000 0.000 0.299 51 T C 0.178 174.832 174.700 -0.077 0.000 1.045 51 T CA 0.326 62.451 62.100 0.043 0.000 1.071 51 T CB 1.459 70.417 68.868 0.149 0.000 0.985 51 T HN 1.239 nan 8.240 nan 0.000 0.537 52 N N -0.159 118.485 118.700 -0.092 0.000 2.927 52 N HA 0.721 5.461 4.740 0.000 0.000 0.248 52 N C -1.271 174.181 175.510 -0.098 0.000 1.443 52 N CA -1.292 51.492 53.050 -0.443 0.000 0.870 52 N CB 0.906 39.057 38.487 -0.560 0.000 1.444 52 N HN 0.841 nan 8.380 nan 0.000 0.519 53 W N -1.138 120.152 121.300 -0.016 0.000 3.878 53 W HA 0.935 5.595 4.660 0.000 0.000 0.372 53 W C -0.105 176.406 176.519 -0.013 0.000 1.166 53 W CA -1.137 56.207 57.345 -0.001 0.000 0.923 53 W CB -0.045 29.427 29.460 0.020 0.000 1.827 53 W HN 0.631 nan 8.180 nan 0.000 0.625 54 G N 0.360 109.374 108.800 0.356 0.000 3.016 54 G HA2 0.505 4.465 3.960 0.000 0.000 0.270 54 G HA3 0.505 4.465 3.960 0.000 0.000 0.270 54 G C -1.335 173.683 174.900 0.196 0.000 1.352 54 G CA -1.298 43.921 45.100 0.199 0.000 1.060 54 G HN 0.745 nan 8.290 nan 0.000 0.538 55 L N 0.779 122.053 121.223 0.085 0.000 2.559 55 L HA 0.416 4.756 4.340 0.000 0.000 0.274 55 L C 1.029 177.842 176.870 -0.095 0.000 1.205 55 L CA 2.036 56.843 54.840 -0.055 0.000 0.907 55 L CB 0.275 42.180 42.059 -0.256 0.000 1.153 55 L HN 1.152 nan 8.230 nan 0.000 0.490 56 G N 2.570 111.255 108.800 -0.191 0.000 3.246 56 G HA2 0.210 4.170 3.960 0.000 0.000 0.218 56 G HA3 0.210 4.170 3.960 0.000 0.000 0.218 56 G C 0.523 175.308 174.900 -0.192 0.000 0.978 56 G CA 0.112 44.998 45.100 -0.357 0.000 0.825 56 G HN 1.635 nan 8.290 nan 0.000 0.546 57 G N -0.892 107.891 108.800 -0.028 0.000 2.627 57 G HA2 0.132 4.093 3.960 0.000 0.000 0.214 57 G HA3 0.132 4.093 3.960 0.000 0.000 0.214 57 G C 0.720 175.615 174.900 -0.009 0.000 1.331 57 G CA 0.543 45.658 45.100 0.025 0.000 0.891 57 G HN 1.018 nan 8.290 nan 0.000 0.539 58 T N -0.475 114.079 114.554 0.000 0.000 2.851 58 T HA -0.086 4.264 4.350 0.000 0.000 0.262 58 T C 2.439 177.079 174.700 -0.100 0.000 1.043 58 T CA 2.316 64.378 62.100 -0.063 0.000 1.140 58 T CB -0.497 68.388 68.868 0.028 0.000 0.872 58 T HN 1.142 nan 8.240 nan 0.000 0.446 59 c N 1.397 119.974 118.600 -0.038 0.000 2.425 59 c HA -0.003 4.567 4.570 0.000 0.000 0.277 59 c C 2.682 176.728 174.090 -0.073 0.000 1.280 59 c CA 0.452 56.764 56.329 -0.030 0.000 1.744 59 c CB -1.195 41.324 42.510 0.016 0.000 1.989 59 c HN 0.355 nan 8.230 nan 0.000 0.491 60 V N 1.454 121.328 119.914 -0.066 0.000 2.719 60 V HA -0.052 4.068 4.120 0.000 0.000 0.252 60 V C 2.069 178.086 176.094 -0.129 0.000 1.065 60 V CA 1.958 64.227 62.300 -0.052 0.000 1.086 60 V CB -0.583 31.255 31.823 0.026 0.000 0.700 60 V HN 0.611 nan 8.190 nan 0.000 0.467 61 N N -0.432 118.117 118.700 -0.251 0.000 2.397 61 N HA 0.077 4.817 4.740 0.000 0.000 0.190 61 N C 0.969 176.207 175.510 -0.454 0.000 1.099 61 N CA 1.374 54.189 53.050 -0.391 0.000 0.876 61 N CB 1.887 39.934 38.487 -0.734 0.000 1.143 61 N HN 0.501 nan 8.380 nan 0.000 0.468 62 V N -3.819 115.844 119.914 -0.417 0.000 3.699 62 V HA 0.517 4.637 4.120 0.000 0.000 0.323 62 V C 0.637 176.737 176.094 0.011 0.000 1.574 62 V CA -0.202 62.020 62.300 -0.131 0.000 1.240 62 V CB 0.364 31.951 31.823 -0.393 0.000 1.014 62 V HN 0.047 nan 8.190 nan 0.000 0.469 63 G N 0.361 109.084 108.800 -0.129 0.000 3.134 63 G HA2 0.283 4.243 3.960 0.000 0.000 0.158 63 G HA3 0.283 4.243 3.960 0.000 0.000 0.158 63 G C 1.184 176.034 174.900 -0.083 0.000 1.334 63 G CA 0.573 45.653 45.100 -0.035 0.000 1.001 63 G HN 0.342 nan 8.290 nan 0.000 0.600 64 c N -0.152 118.434 118.600 -0.022 0.000 2.349 64 c HA -0.157 4.414 4.570 0.000 0.000 0.274 64 c C 2.745 176.739 174.090 -0.160 0.000 1.178 64 c CA 0.781 57.086 56.329 -0.040 0.000 1.769 64 c CB -1.471 41.037 42.510 -0.003 0.000 2.047 64 c HN 0.447 nan 8.230 nan 0.000 0.448 65 I N 2.202 122.676 120.570 -0.159 0.000 2.068 65 I HA -0.144 4.026 4.170 0.000 0.000 0.238 65 I C -0.533 175.407 176.117 -0.293 0.000 1.046 65 I CA 2.106 63.301 61.300 -0.175 0.000 1.306 65 I CB -1.657 36.284 38.000 -0.098 0.000 1.023 65 I HN 0.195 nan 8.210 nan 0.000 0.399 66 P HA -0.153 nan 4.420 nan 0.000 0.231 66 P C 1.434 178.234 177.300 -0.833 0.000 1.158 66 P CA 1.229 63.903 63.100 -0.710 0.000 0.763 66 P CB -0.058 30.948 31.700 -1.157 0.000 0.805 67 K N 0.533 120.570 120.400 -0.606 0.000 2.017 67 K HA -0.104 4.216 4.320 0.000 0.000 0.207 67 K C 2.014 178.558 176.600 -0.093 0.000 1.035 67 K CA 1.154 57.322 56.287 -0.198 0.000 0.947 67 K CB -0.382 32.128 32.500 0.018 0.000 0.749 67 K HN -0.271 nan 8.250 nan 0.000 0.443 68 K N 1.430 121.711 120.400 -0.198 0.000 2.052 68 K HA -0.161 4.159 4.320 0.000 0.000 0.215 68 K C 2.165 178.699 176.600 -0.110 0.000 1.053 68 K CA 1.741 57.891 56.287 -0.230 0.000 0.934 68 K CB -0.634 31.681 32.500 -0.309 0.000 0.717 68 K HN 0.215 nan 8.250 nan 0.000 0.450 69 L N -0.470 120.654 121.223 -0.166 0.000 2.043 69 L HA -0.218 4.122 4.340 0.000 0.000 0.212 69 L C 2.675 179.427 176.870 -0.197 0.000 1.075 69 L CA 1.778 56.518 54.840 -0.166 0.000 0.752 69 L CB -0.328 41.628 42.059 -0.172 0.000 0.891 69 L HN 0.338 nan 8.230 nan 0.000 0.432 70 M N -1.387 118.042 119.600 -0.284 0.000 2.296 70 M HA -0.209 4.271 4.480 0.000 0.000 0.265 70 M C 2.204 178.286 176.300 -0.364 0.000 1.064 70 M CA 1.307 56.273 55.300 -0.557 0.000 1.109 70 M CB -0.149 31.774 32.600 -1.129 0.000 1.396 70 M HN 0.233 nan 8.290 nan 0.000 0.430 71 H N -0.553 118.449 119.070 -0.114 0.000 2.333 71 H HA -0.132 4.424 4.556 0.000 0.000 0.302 71 H C 1.940 177.269 175.328 0.001 0.000 1.075 71 H CA 2.103 58.215 56.048 0.106 0.000 1.348 71 H CB -0.178 29.653 29.762 0.116 0.000 1.393 71 H HN 0.328 nan 8.280 nan 0.000 0.509 72 Q N 0.647 120.376 119.800 -0.119 0.000 2.112 72 Q HA -0.119 4.221 4.340 0.000 0.000 0.206 72 Q C 2.367 178.256 176.000 -0.185 0.000 0.987 72 Q CA 2.036 57.729 55.803 -0.183 0.000 0.858 72 Q CB -0.853 27.806 28.738 -0.132 0.000 0.905 72 Q HN 0.557 nan 8.270 nan 0.000 0.420 73 A N 0.268 122.972 122.820 -0.193 0.000 1.892 73 A HA -0.147 4.173 4.320 0.000 0.000 0.218 73 A C 2.322 179.765 177.584 -0.236 0.000 1.188 73 A CA 2.344 54.249 52.037 -0.221 0.000 0.631 73 A CB -1.362 17.457 19.000 -0.301 0.000 0.822 73 A HN 0.554 nan 8.150 nan 0.000 0.447 74 A N -0.333 122.371 122.820 -0.194 0.000 1.883 74 A HA -0.083 4.237 4.320 0.000 0.000 0.217 74 A C 2.218 179.715 177.584 -0.145 0.000 1.186 74 A CA 1.594 53.551 52.037 -0.134 0.000 0.624 74 A CB -0.677 18.334 19.000 0.019 0.000 0.822 74 A HN 0.490 nan 8.150 nan 0.000 0.444 75 L N -0.740 120.360 121.223 -0.204 0.000 1.970 75 L HA -0.206 4.135 4.340 0.000 0.000 0.212 75 L C 2.505 179.305 176.870 -0.116 0.000 1.071 75 L CA 0.986 55.724 54.840 -0.170 0.000 0.751 75 L CB -0.665 41.261 42.059 -0.221 0.000 0.889 75 L HN 0.286 nan 8.230 nan 0.000 0.432 76 L N 0.231 121.380 121.223 -0.124 0.000 2.089 76 L HA -0.214 4.126 4.340 0.000 0.000 0.213 76 L C 2.690 179.505 176.870 -0.092 0.000 1.079 76 L CA 2.229 57.007 54.840 -0.103 0.000 0.758 76 L CB -2.273 39.723 42.059 -0.105 0.000 0.891 76 L HN 0.358 nan 8.230 nan 0.000 0.433 77 G N -1.191 107.544 108.800 -0.108 0.000 2.469 77 G HA2 -0.369 3.591 3.960 0.000 0.000 0.219 77 G HA3 -0.369 3.591 3.960 0.000 0.000 0.219 77 G C 1.580 176.442 174.900 -0.064 0.000 1.150 77 G CA 1.012 46.057 45.100 -0.093 0.000 0.763 77 G HN 0.386 nan 8.290 nan 0.000 0.561 78 Q N 0.722 120.483 119.800 -0.065 0.000 2.083 78 Q HA 0.203 4.544 4.340 0.000 0.000 0.198 78 Q C 2.727 178.706 176.000 -0.035 0.000 0.969 78 Q CA 1.741 57.514 55.803 -0.051 0.000 0.838 78 Q CB -0.775 27.923 28.738 -0.066 0.000 0.900 78 Q HN 0.359 nan 8.270 nan 0.000 0.436 79 A N 0.548 123.342 122.820 -0.043 0.000 1.917 79 A HA -0.201 4.119 4.320 0.000 0.000 0.219 79 A C 2.108 179.670 177.584 -0.036 0.000 1.182 79 A CA 1.745 53.757 52.037 -0.041 0.000 0.633 79 A CB -0.960 18.000 19.000 -0.068 0.000 0.819 79 A HN 0.458 nan 8.150 nan 0.000 0.448 80 L N -0.933 120.263 121.223 -0.045 0.000 1.970 80 L HA -0.255 4.085 4.340 0.000 0.000 0.212 80 L C 2.596 179.477 176.870 0.018 0.000 1.071 80 L CA 2.108 56.930 54.840 -0.029 0.000 0.751 80 L CB -0.748 41.294 42.059 -0.029 0.000 0.889 80 L HN 0.336 nan 8.230 nan 0.000 0.432 81 K N 0.020 120.428 120.400 0.014 0.000 2.127 81 K HA -0.235 4.085 4.320 0.000 0.000 0.208 81 K C 1.689 178.332 176.600 0.072 0.000 1.047 81 K CA 1.967 58.275 56.287 0.035 0.000 0.927 81 K CB -0.229 32.281 32.500 0.017 0.000 0.716 81 K HN 0.321 nan 8.250 nan 0.000 0.450 82 D N -0.274 120.173 120.400 0.077 0.000 2.224 82 D HA -0.049 4.592 4.640 0.000 0.000 0.205 82 D C 1.736 178.186 176.300 0.250 0.000 0.965 82 D CA 0.675 54.767 54.000 0.153 0.000 0.852 82 D CB -0.077 40.798 40.800 0.125 0.000 0.947 82 D HN -0.008 nan 8.370 nan 0.000 0.494 83 S N 0.393 116.209 115.700 0.194 0.000 2.402 83 S HA -0.186 4.285 4.470 0.000 0.000 0.233 83 S C 1.864 176.698 174.600 0.391 0.000 1.030 83 S CA 0.827 59.227 58.200 0.333 0.000 1.003 83 S CB 0.031 63.351 63.200 0.200 0.000 0.813 83 S HN 0.252 nan 8.310 nan 0.000 0.477 84 R N 1.379 122.027 120.500 0.246 0.000 2.082 84 R HA -0.077 4.263 4.340 0.000 0.000 0.234 84 R C 1.728 178.124 176.300 0.159 0.000 1.136 84 R CA 1.967 58.177 56.100 0.184 0.000 0.935 84 R CB -0.334 30.035 30.300 0.116 0.000 0.842 84 R HN 0.406 nan 8.270 nan 0.000 0.430 85 N N -1.010 117.778 118.700 0.148 0.000 2.457 85 N HA -0.092 4.648 4.740 0.000 0.000 0.180 85 N C 0.710 176.187 175.510 -0.055 0.000 1.050 85 N CA 0.742 53.805 53.050 0.022 0.000 0.906 85 N CB 0.001 38.465 38.487 -0.038 0.000 0.968 85 N HN 0.267 nan 8.380 nan 0.000 0.445 86 Y N -0.174 120.160 120.300 0.055 0.000 2.546 86 Y HA 0.235 4.786 4.550 0.000 0.000 0.287 86 Y C 1.617 177.437 175.900 -0.134 0.000 1.158 86 Y CA 0.455 58.559 58.100 0.007 0.000 1.307 86 Y CB 0.133 38.650 38.460 0.094 0.000 1.036 86 Y HN 0.147 nan 8.280 nan 0.000 0.532 87 G N -1.979 106.813 108.800 -0.015 0.000 2.147 87 G HA2 -0.197 3.763 3.960 0.000 0.000 0.128 87 G HA3 -0.197 3.763 3.960 0.000 0.000 0.128 87 G C -0.629 174.070 174.900 -0.336 0.000 1.026 87 G CA -0.837 44.144 45.100 -0.199 0.000 0.693 87 G HN 0.205 nan 8.290 nan 0.000 0.499 88 W N 0.805 122.144 121.300 0.066 0.000 2.417 88 W HA 0.642 5.302 4.660 0.000 0.000 0.317 88 W C 0.778 177.318 176.519 0.034 0.000 1.121 88 W CA -0.957 56.414 57.345 0.043 0.000 1.208 88 W CB 1.060 30.544 29.460 0.039 0.000 1.253 88 W HN -0.065 nan 8.180 nan 0.000 0.533 89 K N 3.700 124.248 120.400 0.247 0.000 2.307 89 K HA 0.205 4.525 4.320 0.000 0.000 0.240 89 K C -0.485 176.199 176.600 0.139 0.000 1.214 89 K CA -0.403 55.971 56.287 0.146 0.000 1.149 89 K CB -0.071 32.490 32.500 0.102 0.000 1.668 89 K HN 0.283 nan 8.250 nan 0.000 0.314 90 L N 0.839 122.145 121.223 0.139 0.000 2.375 90 L HA 0.247 4.587 4.340 0.000 0.000 0.268 90 L C 0.149 177.058 176.870 0.065 0.000 1.058 90 L CA -0.346 54.551 54.840 0.095 0.000 0.803 90 L CB 1.031 43.145 42.059 0.091 0.000 1.212 90 L HN 0.239 nan 8.230 nan 0.000 0.451 91 E N 0.726 120.953 120.200 0.045 0.000 2.428 91 E HA -0.049 4.301 4.350 0.000 0.000 0.257 91 E C 0.318 176.939 176.600 0.035 0.000 1.197 91 E CA 0.521 56.942 56.400 0.036 0.000 0.974 91 E CB 0.290 30.006 29.700 0.026 0.000 0.976 91 E HN 0.611 nan 8.360 nan 0.000 0.463 92 D N -0.528 119.889 120.400 0.030 0.000 2.183 92 D HA -0.044 4.596 4.640 0.000 0.000 0.203 92 D C -0.389 175.926 176.300 0.025 0.000 0.969 92 D CA 1.013 55.029 54.000 0.028 0.000 0.842 92 D CB 0.436 41.250 40.800 0.024 0.000 0.957 92 D HN 0.280 nan 8.370 nan 0.000 0.484 93 T N 0.113 114.681 114.554 0.022 0.000 3.071 93 T HA 0.371 4.721 4.350 0.000 0.000 0.311 93 T C -0.734 173.978 174.700 0.020 0.000 1.042 93 T CA -0.618 61.494 62.100 0.020 0.000 1.028 93 T CB 2.729 71.609 68.868 0.020 0.000 1.068 93 T HN -0.309 nan 8.240 nan 0.000 0.451 94 V N 3.577 123.502 119.914 0.019 0.000 2.495 94 V HA 0.523 4.643 4.120 0.000 0.000 0.298 94 V C -0.116 175.995 176.094 0.029 0.000 1.031 94 V CA -0.941 61.370 62.300 0.019 0.000 0.871 94 V CB 2.023 33.854 31.823 0.013 0.000 0.988 94 V HN 0.694 nan 8.190 nan 0.000 0.432 95 K N 1.875 122.294 120.400 0.033 0.000 2.090 95 K HA 0.563 4.883 4.320 0.000 0.000 0.249 95 K C -0.730 175.915 176.600 0.075 0.000 0.995 95 K CA -0.650 55.667 56.287 0.051 0.000 0.914 95 K CB 0.771 33.294 32.500 0.039 0.000 1.057 95 K HN 0.765 nan 8.250 nan 0.000 0.462 96 H N -0.096 118.955 119.070 -0.031 0.000 2.492 96 H HA 0.324 4.881 4.556 0.000 0.000 0.345 96 H C -1.530 173.772 175.328 -0.043 0.000 1.136 96 H CA -0.800 55.211 56.048 -0.062 0.000 1.202 96 H CB 1.369 31.067 29.762 -0.107 0.000 1.524 96 H HN 0.436 nan 8.280 nan 0.000 0.506 97 D N 3.407 123.400 120.400 -0.678 0.000 2.425 97 D HA 0.034 4.674 4.640 0.000 0.000 0.240 97 D C 0.330 176.374 176.300 -0.427 0.000 1.080 97 D CA -0.534 53.252 54.000 -0.355 0.000 0.836 97 D CB 0.516 41.209 40.800 -0.177 0.000 1.125 97 D HN 0.615 nan 8.370 nan 0.000 0.525 98 W N 3.051 124.244 121.300 -0.180 0.000 2.311 98 W HA -0.210 4.450 4.660 0.000 0.000 0.326 98 W C 2.000 178.473 176.519 -0.077 0.000 1.239 98 W CA 1.112 58.419 57.345 -0.062 0.000 1.258 98 W CB 0.200 29.666 29.460 0.011 0.000 1.165 98 W HN 0.531 nan 8.180 nan 0.000 0.466 99 E N 0.011 120.415 120.200 0.340 0.000 2.026 99 E HA -0.335 4.015 4.350 0.000 0.000 0.206 99 E C 2.045 178.712 176.600 0.112 0.000 1.028 99 E CA 1.615 58.130 56.400 0.193 0.000 0.845 99 E CB -0.829 28.939 29.700 0.113 0.000 0.772 99 E HN 0.036 nan 8.360 nan 0.000 0.462 100 K N 1.121 121.534 120.400 0.022 0.000 2.089 100 K HA -0.199 4.121 4.320 0.000 0.000 0.210 100 K C 2.076 178.668 176.600 -0.012 0.000 1.048 100 K CA 1.549 57.825 56.287 -0.018 0.000 0.926 100 K CB -0.598 31.859 32.500 -0.072 0.000 0.714 100 K HN 0.208 nan 8.250 nan 0.000 0.448 101 M N 0.334 119.909 119.600 -0.042 0.000 2.074 101 M HA -0.184 4.297 4.480 0.000 0.000 0.259 101 M C 1.859 178.199 176.300 0.067 0.000 1.079 101 M CA 2.630 57.917 55.300 -0.022 0.000 1.119 101 M CB -0.601 31.952 32.600 -0.078 0.000 1.297 101 M HN 0.180 nan 8.290 nan 0.000 0.416 102 T N -0.231 114.454 114.554 0.219 0.000 2.653 102 T HA -0.289 4.062 4.350 0.000 0.000 0.268 102 T C 1.573 176.363 174.700 0.149 0.000 1.035 102 T CA 2.033 64.307 62.100 0.291 0.000 1.154 102 T CB -0.880 68.256 68.868 0.447 0.000 0.862 102 T HN 0.615 nan 8.240 nan 0.000 0.441 103 E N 0.970 121.238 120.200 0.114 0.000 2.035 103 E HA -0.228 4.122 4.350 0.000 0.000 0.204 103 E C 2.486 179.118 176.600 0.053 0.000 1.025 103 E CA 1.643 58.084 56.400 0.068 0.000 0.835 103 E CB -0.356 29.373 29.700 0.047 0.000 0.764 103 E HN 0.422 nan 8.360 nan 0.000 0.457 104 S N -0.531 115.191 115.700 0.036 0.000 2.372 104 S HA -0.196 4.274 4.470 0.000 0.000 0.227 104 S C 1.973 176.596 174.600 0.038 0.000 1.044 104 S CA 1.451 59.664 58.200 0.021 0.000 1.050 104 S CB -0.301 62.894 63.200 -0.008 0.000 0.901 104 S HN 0.232 nan 8.310 nan 0.000 0.447 105 V N 1.552 121.488 119.914 0.037 0.000 2.216 105 V HA -0.255 3.865 4.120 0.000 0.000 0.243 105 V C 2.506 178.638 176.094 0.064 0.000 1.044 105 V CA 2.314 64.634 62.300 0.035 0.000 0.995 105 V CB -0.993 30.837 31.823 0.012 0.000 0.633 105 V HN 0.533 nan 8.190 nan 0.000 0.446 106 Q N 0.184 120.026 119.800 0.069 0.000 2.118 106 Q HA -0.346 3.994 4.340 0.000 0.000 0.211 106 Q C 2.334 178.374 176.000 0.066 0.000 0.998 106 Q CA 2.421 58.266 55.803 0.070 0.000 0.872 106 Q CB -0.381 28.404 28.738 0.079 0.000 0.925 106 Q HN 0.665 nan 8.270 nan 0.000 0.414 107 N N 0.014 118.754 118.700 0.065 0.000 2.064 107 N HA -0.281 4.459 4.740 0.000 0.000 0.200 107 N C 1.744 177.308 175.510 0.090 0.000 1.028 107 N CA 1.991 55.080 53.050 0.064 0.000 0.880 107 N CB -0.606 37.916 38.487 0.057 0.000 1.062 107 N HN 0.500 nan 8.380 nan 0.000 0.454 108 H N 0.414 119.484 119.070 0.001 0.000 2.387 108 H HA -0.047 4.509 4.556 0.000 0.000 0.299 108 H C 2.232 177.567 175.328 0.013 0.000 1.090 108 H CA 1.029 57.075 56.048 -0.003 0.000 1.332 108 H CB 0.097 29.843 29.762 -0.027 0.000 1.386 108 H HN 0.186 nan 8.280 nan 0.000 0.516 109 I N 0.693 121.255 120.570 -0.014 0.000 2.113 109 I HA -0.265 3.905 4.170 0.000 0.000 0.242 109 I C 2.855 178.957 176.117 -0.025 0.000 1.064 109 I CA 1.471 62.743 61.300 -0.046 0.000 1.320 109 I CB -1.404 36.606 38.000 0.016 0.000 1.028 109 I HN 0.371 nan 8.210 nan 0.000 0.406 110 G N 1.150 109.962 108.800 0.020 0.000 2.586 110 G HA2 -0.378 3.582 3.960 0.000 0.000 0.218 110 G HA3 -0.378 3.582 3.960 0.000 0.000 0.218 110 G C 1.778 176.719 174.900 0.068 0.000 1.216 110 G CA 1.893 47.026 45.100 0.055 0.000 0.786 110 G HN 0.528 nan 8.290 nan 0.000 0.583 111 S N 0.369 116.075 115.700 0.010 0.000 2.423 111 S HA -0.107 4.363 4.470 0.000 0.000 0.238 111 S C 2.353 176.916 174.600 -0.061 0.000 1.028 111 S CA 1.678 59.882 58.200 0.006 0.000 1.000 111 S CB -0.329 62.854 63.200 -0.029 0.000 0.797 111 S HN 0.323 nan 8.310 nan 0.000 0.487 112 L N 0.862 121.996 121.223 -0.149 0.000 2.102 112 L HA 0.021 4.361 4.340 0.000 0.000 0.202 112 L C 2.759 179.672 176.870 0.072 0.000 1.076 112 L CA 0.837 55.604 54.840 -0.122 0.000 0.761 112 L CB -0.723 41.240 42.059 -0.160 0.000 0.921 112 L HN 0.251 nan 8.230 nan 0.000 0.444 113 N N 0.097 118.873 118.700 0.126 0.000 2.002 113 N HA -0.307 4.433 4.740 0.000 0.000 0.199 113 N C 1.507 177.134 175.510 0.196 0.000 1.067 113 N CA 1.880 55.040 53.050 0.185 0.000 0.870 113 N CB -0.808 37.799 38.487 0.200 0.000 1.073 113 N HN 0.458 nan 8.380 nan 0.000 0.432 114 W N 2.214 123.530 121.300 0.028 0.000 2.321 114 W HA -0.193 4.467 4.660 -0.000 0.000 0.306 114 W C 2.070 178.591 176.519 0.003 0.000 1.217 114 W CA 1.885 59.242 57.345 0.019 0.000 1.257 114 W CB -0.827 28.639 29.460 0.011 0.000 1.145 114 W HN 0.138 nan 8.180 nan 0.000 0.509 115 G N -0.255 108.540 108.800 -0.009 0.000 2.476 115 G HA2 -0.381 3.579 3.960 0.000 0.000 0.218 115 G HA3 -0.381 3.579 3.960 0.000 0.000 0.218 115 G C 1.223 175.985 174.900 -0.229 0.000 1.164 115 G CA 1.376 46.384 45.100 -0.152 0.000 0.768 115 G HN 0.318 nan 8.290 nan 0.000 0.560 116 Y N 0.453 120.641 120.300 -0.185 0.000 2.163 116 Y HA -0.041 4.509 4.550 0.000 0.000 0.288 116 Y C 2.957 178.691 175.900 -0.277 0.000 1.136 116 Y CA 1.508 59.490 58.100 -0.198 0.000 1.147 116 Y CB -0.423 37.937 38.460 -0.168 0.000 0.987 116 Y HN 0.107 nan 8.280 nan 0.000 0.509 117 R N -0.024 120.373 120.500 -0.171 0.000 2.113 117 R HA -0.207 4.133 4.340 0.000 0.000 0.244 117 R C 2.001 178.094 176.300 -0.344 0.000 1.142 117 R CA 2.188 58.098 56.100 -0.317 0.000 0.953 117 R CB -0.640 29.413 30.300 -0.412 0.000 0.860 117 R HN 0.233 nan 8.270 nan 0.000 0.438 118 V N 1.002 120.634 119.914 -0.470 0.000 2.287 118 V HA -0.270 3.850 4.120 0.000 0.000 0.248 118 V C 2.565 178.537 176.094 -0.203 0.000 1.053 118 V CA 1.957 64.034 62.300 -0.372 0.000 1.027 118 V CB -0.996 30.605 31.823 -0.370 0.000 0.646 118 V HN 0.579 nan 8.190 nan 0.000 0.447 119 A N 0.025 122.745 122.820 -0.166 0.000 1.948 119 A HA -0.214 4.106 4.320 0.000 0.000 0.220 119 A C 2.204 179.745 177.584 -0.071 0.000 1.177 119 A CA 2.253 54.230 52.037 -0.100 0.000 0.636 119 A CB -0.567 18.396 19.000 -0.061 0.000 0.815 119 A HN 0.540 nan 8.150 nan 0.000 0.449 120 L N -1.383 119.795 121.223 -0.074 0.000 2.007 120 L HA -0.106 4.234 4.340 0.000 0.000 0.205 120 L C 2.716 179.559 176.870 -0.045 0.000 1.073 120 L CA 1.507 56.316 54.840 -0.052 0.000 0.744 120 L CB -0.642 41.384 42.059 -0.054 0.000 0.898 120 L HN 0.342 nan 8.230 nan 0.000 0.435 121 R N 0.744 121.211 120.500 -0.055 0.000 2.185 121 R HA -0.240 4.100 4.340 0.000 0.000 0.247 121 R C 1.961 178.234 176.300 -0.045 0.000 1.159 121 R CA 1.812 57.887 56.100 -0.041 0.000 0.988 121 R CB -0.232 30.034 30.300 -0.056 0.000 0.871 121 R HN 0.493 nan 8.270 nan 0.000 0.458 122 E N -0.148 120.015 120.200 -0.061 0.000 2.285 122 E HA -0.055 4.295 4.350 0.000 0.000 0.194 122 E C 0.680 177.251 176.600 -0.048 0.000 0.997 122 E CA 0.605 56.972 56.400 -0.055 0.000 0.845 122 E CB 0.311 29.972 29.700 -0.066 0.000 0.782 122 E HN 0.243 nan 8.360 nan 0.000 0.491 123 K N 0.324 120.696 120.400 -0.048 0.000 2.455 123 K HA 0.134 4.454 4.320 0.000 0.000 0.206 123 K C -0.542 176.032 176.600 -0.044 0.000 1.027 123 K CA -0.027 56.230 56.287 -0.049 0.000 1.113 123 K CB 0.673 33.142 32.500 -0.053 0.000 0.850 123 K HN -0.059 nan 8.250 nan 0.000 0.503 124 K N 0.633 121.012 120.400 -0.035 0.000 3.181 124 K HA -0.111 4.209 4.320 0.000 0.000 0.269 124 K C -1.018 175.566 176.600 -0.026 0.000 1.097 124 K CA 0.151 56.421 56.287 -0.028 0.000 0.783 124 K CB -1.683 30.798 32.500 -0.031 0.000 1.267 124 K HN -0.032 nan 8.250 nan 0.000 0.484 125 V N 1.167 121.070 119.914 -0.018 0.000 2.531 125 V HA 0.291 4.411 4.120 0.000 0.000 0.301 125 V C 0.624 176.728 176.094 0.017 0.000 1.034 125 V CA -1.060 61.233 62.300 -0.012 0.000 0.865 125 V CB 1.976 33.787 31.823 -0.020 0.000 0.995 125 V HN 0.120 nan 8.190 nan 0.000 0.424 126 V N 4.637 124.562 119.914 0.019 0.000 2.843 126 V HA 0.277 4.397 4.120 0.000 0.000 0.305 126 V C -0.412 175.741 176.094 0.099 0.000 1.065 126 V CA -0.067 62.258 62.300 0.041 0.000 1.116 126 V CB 0.544 32.378 31.823 0.018 0.000 0.968 126 V HN 0.806 nan 8.190 nan 0.000 0.487 127 Y N 2.235 122.514 120.300 -0.035 0.000 2.553 127 Y HA 0.702 5.252 4.550 0.000 0.000 0.347 127 Y C -0.718 175.171 175.900 -0.018 0.000 1.019 127 Y CA -1.401 56.678 58.100 -0.035 0.000 1.032 127 Y CB 2.175 40.617 38.460 -0.030 0.000 1.284 127 Y HN 0.671 nan 8.280 nan 0.000 0.466 128 E N 3.323 122.995 120.200 -0.879 0.000 2.343 128 E HA 0.082 4.432 4.350 0.000 0.000 0.286 128 E C -1.522 174.563 176.600 -0.859 0.000 0.915 128 E CA -0.618 55.301 56.400 -0.801 0.000 0.784 128 E CB 1.712 31.227 29.700 -0.308 0.000 1.251 128 E HN 0.857 nan 8.360 nan 0.000 0.407 129 N N 2.110 120.383 118.700 -0.711 0.000 2.814 129 N HA 0.155 4.895 4.740 0.000 0.000 0.304 129 N C -0.977 174.698 175.510 0.276 0.000 1.211 129 N CA 0.075 53.064 53.050 -0.101 0.000 1.158 129 N CB 0.055 38.537 38.487 -0.008 0.000 1.458 129 N HN 0.368 nan 8.380 nan 0.000 0.519 130 A N 2.369 125.345 122.820 0.259 0.000 2.393 130 A HA 0.278 4.598 4.320 0.000 0.000 0.306 130 A C -1.036 176.648 177.584 0.166 0.000 1.050 130 A CA -0.639 51.510 52.037 0.187 0.000 0.724 130 A CB 0.798 19.790 19.000 -0.013 0.000 1.248 130 A HN 0.521 nan 8.150 nan 0.000 0.424 131 Y N 1.311 121.384 120.300 -0.379 0.000 2.459 131 Y HA 0.401 4.951 4.550 0.000 0.000 0.349 131 Y C 0.883 176.686 175.900 -0.160 0.000 1.266 131 Y CA 0.632 58.572 58.100 -0.266 0.000 1.483 131 Y CB 0.634 38.812 38.460 -0.470 0.000 1.362 131 Y HN 0.810 nan 8.280 nan 0.000 0.628 132 G N 2.461 110.904 108.800 -0.595 0.000 2.473 132 G HA2 0.575 4.536 3.960 0.000 0.000 0.321 132 G HA3 0.575 4.536 3.960 0.000 0.000 0.321 132 G C -1.749 172.725 174.900 -0.711 0.000 1.200 132 G CA -0.990 43.791 45.100 -0.531 0.000 0.963 132 G HN 0.643 nan 8.290 nan 0.000 0.483 133 K N 0.703 120.801 120.400 -0.504 0.000 2.545 133 K HA 0.269 4.589 4.320 0.000 0.000 0.291 133 K C -1.499 174.943 176.600 -0.263 0.000 1.093 133 K CA -0.608 55.452 56.287 -0.379 0.000 1.012 133 K CB 0.168 32.500 32.500 -0.280 0.000 1.354 133 K HN 0.264 nan 8.250 nan 0.000 0.460 134 F N 5.143 125.006 119.950 -0.146 0.000 2.578 134 F HA 0.119 4.646 4.527 0.000 0.000 0.376 134 F C 1.793 177.538 175.800 -0.091 0.000 1.085 134 F CA 0.288 58.201 58.000 -0.146 0.000 1.260 134 F CB 0.518 39.415 39.000 -0.171 0.000 1.095 134 F HN 0.618 nan 8.300 nan 0.000 0.573 135 I N 0.525 121.168 120.570 0.121 0.000 3.172 135 I HA 0.486 4.656 4.170 0.000 0.000 0.278 135 I C 0.739 176.894 176.117 0.064 0.000 1.174 135 I CA 0.741 62.081 61.300 0.068 0.000 1.445 135 I CB 0.410 38.441 38.000 0.051 0.000 1.175 135 I HN 0.550 nan 8.210 nan 0.000 0.447 136 G N 0.606 109.451 108.800 0.076 0.000 2.506 136 G HA2 0.378 4.338 3.960 0.000 0.000 0.292 136 G HA3 0.378 4.338 3.960 0.000 0.000 0.292 136 G C -3.147 171.785 174.900 0.052 0.000 1.425 136 G CA -0.923 44.206 45.100 0.048 0.000 0.788 136 G HN -0.179 nan 8.290 nan 0.000 0.490 137 P HA 0.055 nan 4.420 nan 0.000 0.255 137 P C 0.286 177.708 177.300 0.203 0.000 1.161 137 P CA 1.102 64.279 63.100 0.129 0.000 0.768 137 P CB -0.221 31.548 31.700 0.115 0.000 0.746 138 H N -0.203 118.831 119.070 -0.058 0.000 2.969 138 H HA -0.170 4.386 4.556 0.000 0.000 0.269 138 H C -0.034 175.361 175.328 0.112 0.000 1.230 138 H CA 1.012 57.020 56.048 -0.066 0.000 1.123 138 H CB -0.722 29.017 29.762 -0.040 0.000 1.289 138 H HN 0.452 nan 8.280 nan 0.000 0.364 139 K N 0.381 120.859 120.400 0.131 0.000 2.578 139 K HA 0.614 4.934 4.320 0.000 0.000 0.269 139 K C -1.493 175.197 176.600 0.150 0.000 0.941 139 K CA -0.398 56.003 56.287 0.190 0.000 0.847 139 K CB 2.648 35.241 32.500 0.154 0.000 1.397 139 K HN 0.167 nan 8.250 nan 0.000 0.422 140 I N 2.486 123.149 120.570 0.155 0.000 2.894 140 I HA 0.453 4.623 4.170 0.000 0.000 0.302 140 I C -1.575 174.577 176.117 0.059 0.000 1.188 140 I CA -0.996 60.327 61.300 0.038 0.000 1.014 140 I CB 2.028 39.946 38.000 -0.137 0.000 1.242 140 I HN 0.700 nan 8.210 nan 0.000 0.430 141 M N 6.106 125.698 119.600 -0.014 0.000 2.205 141 M HA 0.579 5.059 4.480 0.000 0.000 0.344 141 M C -1.118 175.162 176.300 -0.034 0.000 1.085 141 M CA -0.526 54.781 55.300 0.013 0.000 1.001 141 M CB 1.455 34.051 32.600 -0.007 0.000 1.626 141 M HN 0.726 nan 8.290 nan 0.000 0.442 142 A N 4.181 127.028 122.820 0.045 0.000 2.366 142 A HA 0.465 4.785 4.320 0.000 0.000 0.322 142 A C 0.195 177.772 177.584 -0.012 0.000 1.397 142 A CA -0.500 51.530 52.037 -0.011 0.000 0.984 142 A CB -0.138 18.875 19.000 0.022 0.000 1.149 142 A HN 0.849 nan 8.150 nan 0.000 0.540 143 T N 1.144 115.655 114.554 -0.071 0.000 2.899 143 T HA 0.341 4.691 4.350 0.000 0.000 0.295 143 T C 0.307 174.923 174.700 -0.140 0.000 1.033 143 T CA -0.414 61.635 62.100 -0.085 0.000 1.084 143 T CB 0.585 69.400 68.868 -0.088 0.000 0.979 143 T HN 0.601 nan 8.240 nan 0.000 0.532 144 N N 1.170 119.805 118.700 -0.108 0.000 2.538 144 N HA 0.296 5.036 4.740 0.000 0.000 0.292 144 N C 1.095 176.547 175.510 -0.097 0.000 1.262 144 N CA -0.921 52.091 53.050 -0.063 0.000 0.976 144 N CB 0.967 39.458 38.487 0.006 0.000 1.161 144 N HN 0.727 nan 8.380 nan 0.000 0.598 145 N N 0.209 119.005 118.700 0.160 0.000 2.300 145 N HA -0.003 4.737 4.740 0.000 0.000 0.179 145 N C 0.525 176.111 175.510 0.127 0.000 1.016 145 N CA 1.136 54.381 53.050 0.326 0.000 0.876 145 N CB 0.140 38.866 38.487 0.398 0.000 0.979 145 N HN 0.447 nan 8.380 nan 0.000 0.432 146 K N -0.678 119.765 120.400 0.071 0.000 2.365 146 K HA 0.087 4.407 4.320 0.000 0.000 0.197 146 K C 0.820 177.427 176.600 0.012 0.000 1.042 146 K CA 0.721 57.031 56.287 0.038 0.000 0.987 146 K CB 0.319 32.839 32.500 0.032 0.000 0.779 146 K HN 0.342 nan 8.250 nan 0.000 0.484 147 G N 1.607 110.403 108.800 -0.007 0.000 2.192 147 G HA2 -0.180 3.780 3.960 0.000 0.000 0.193 147 G HA3 -0.180 3.780 3.960 0.000 0.000 0.193 147 G C -0.350 174.541 174.900 -0.015 0.000 0.999 147 G CA -0.542 44.546 45.100 -0.020 0.000 0.659 147 G HN 0.100 nan 8.290 nan 0.000 0.503 148 K N 2.526 122.923 120.400 -0.006 0.000 2.262 148 K HA 0.268 4.589 4.320 0.000 0.000 0.288 148 K C 0.734 177.334 176.600 0.002 0.000 1.090 148 K CA -0.145 56.142 56.287 0.000 0.000 0.918 148 K CB 0.654 33.158 32.500 0.008 0.000 1.139 148 K HN 0.705 nan 8.250 nan 0.000 0.462 149 E N 3.191 123.391 120.200 -0.000 0.000 2.391 149 E HA 0.229 4.579 4.350 0.000 0.000 0.255 149 E C -0.374 176.242 176.600 0.027 0.000 1.187 149 E CA -0.273 56.132 56.400 0.009 0.000 0.941 149 E CB 1.410 31.111 29.700 0.002 0.000 1.010 149 E HN 0.329 nan 8.360 nan 0.000 0.458 150 K N -0.343 120.095 120.400 0.062 0.000 2.548 150 K HA 0.465 4.785 4.320 0.000 0.000 0.282 150 K C -1.926 174.741 176.600 0.113 0.000 1.006 150 K CA -0.806 55.520 56.287 0.065 0.000 0.892 150 K CB 2.449 35.035 32.500 0.143 0.000 1.499 150 K HN 0.350 nan 8.250 nan 0.000 0.433 151 V N 2.583 122.494 119.914 -0.005 0.000 2.569 151 V HA 0.441 4.561 4.120 0.000 0.000 0.301 151 V C -1.661 174.423 176.094 -0.017 0.000 1.044 151 V CA -0.834 61.510 62.300 0.073 0.000 0.874 151 V CB 1.185 33.022 31.823 0.023 0.000 1.002 151 V HN 0.599 nan 8.190 nan 0.000 0.424 152 Y N 1.663 121.985 120.300 0.036 0.000 2.468 152 Y HA 0.696 5.246 4.550 0.001 0.000 0.342 152 Y C 0.544 176.503 175.900 0.099 0.000 1.021 152 Y CA -1.095 57.035 58.100 0.050 0.000 1.079 152 Y CB 2.201 40.682 38.460 0.035 0.000 1.226 152 Y HN 0.602 nan 8.280 nan 0.000 0.460 153 S N 1.827 117.660 115.700 0.222 0.000 2.451 153 S HA 0.927 5.397 4.470 0.000 0.000 0.301 153 S C -0.810 173.860 174.600 0.116 0.000 1.116 153 S CA -0.196 58.119 58.200 0.192 0.000 1.093 153 S CB 0.655 63.936 63.200 0.135 0.000 1.017 153 S HN 0.971 nan 8.310 nan 0.000 0.482 154 A N 3.130 125.988 122.820 0.063 0.000 2.515 154 A HA 0.575 4.896 4.320 0.000 0.000 0.298 154 A C 0.462 177.764 177.584 -0.469 0.000 1.059 154 A CA -0.567 51.307 52.037 -0.270 0.000 0.698 154 A CB 1.257 19.886 19.000 -0.618 0.000 1.289 154 A HN 0.947 nan 8.150 nan 0.000 0.404 155 E N 0.737 120.701 120.200 -0.394 0.000 2.047 155 E HA -0.066 4.284 4.350 0.000 0.000 0.191 155 E C 0.426 176.770 176.600 -0.426 0.000 0.987 155 E CA 0.999 57.150 56.400 -0.414 0.000 0.799 155 E CB 0.122 29.786 29.700 -0.061 0.000 0.752 155 E HN 0.611 nan 8.360 nan 0.000 0.449 156 R N -0.920 119.379 120.500 -0.335 0.000 2.807 156 R HA 0.451 4.791 4.340 0.000 0.000 0.276 156 R C -1.188 174.919 176.300 -0.321 0.000 0.979 156 R CA -0.701 55.362 56.100 -0.061 0.000 0.928 156 R CB 1.388 31.780 30.300 0.153 0.000 1.191 156 R HN -0.068 nan 8.270 nan 0.000 0.471 157 F N 0.586 120.690 119.950 0.256 0.000 2.679 157 F HA 0.624 5.151 4.527 0.000 0.000 0.341 157 F C -0.779 175.211 175.800 0.315 0.000 1.095 157 F CA -1.122 57.044 58.000 0.277 0.000 1.004 157 F CB 1.215 40.462 39.000 0.412 0.000 1.388 157 F HN 0.206 nan 8.300 nan 0.000 0.505 158 L N 2.326 123.822 121.223 0.453 0.000 2.580 158 L HA 0.533 4.873 4.340 0.000 0.000 0.266 158 L C -1.569 175.476 176.870 0.291 0.000 0.955 158 L CA -0.476 54.566 54.840 0.337 0.000 0.886 158 L CB 1.355 43.538 42.059 0.207 0.000 1.263 158 L HN 0.398 nan 8.230 nan 0.000 0.406 159 I N 5.132 125.872 120.570 0.282 0.000 2.243 159 I HA 0.317 4.488 4.170 0.000 0.000 0.297 159 I C 0.968 177.186 176.117 0.168 0.000 1.161 159 I CA 0.145 61.581 61.300 0.227 0.000 1.298 159 I CB 0.312 38.447 38.000 0.224 0.000 1.475 159 I HN 0.833 nan 8.210 nan 0.000 0.561 160 A N 3.849 126.753 122.820 0.139 0.000 2.833 160 A HA 0.151 4.471 4.320 0.000 0.000 0.293 160 A C 1.714 179.364 177.584 0.111 0.000 1.338 160 A CA 0.075 52.182 52.037 0.117 0.000 0.959 160 A CB -0.390 18.668 19.000 0.097 0.000 1.094 160 A HN 0.696 nan 8.150 nan 0.000 0.569 161 T N -1.816 112.810 114.554 0.120 0.000 3.035 161 T HA 0.326 4.676 4.350 0.000 0.000 0.268 161 T C 1.262 176.046 174.700 0.140 0.000 1.109 161 T CA 1.473 63.654 62.100 0.134 0.000 1.119 161 T CB -0.666 68.286 68.868 0.140 0.000 0.900 161 T HN 1.952 nan 8.240 nan 0.000 0.503 162 G N 0.954 109.828 108.800 0.124 0.000 2.801 162 G HA2 -0.170 3.790 3.960 0.000 0.000 0.244 162 G HA3 -0.170 3.790 3.960 0.000 0.000 0.244 162 G C -0.415 174.563 174.900 0.130 0.000 1.385 162 G CA 0.026 45.199 45.100 0.121 0.000 0.894 162 G HN 0.738 nan 8.290 nan 0.000 0.562 163 E N -0.322 119.954 120.200 0.126 0.000 3.032 163 E HA 0.880 5.230 4.350 0.000 0.000 0.229 163 E C 0.428 177.115 176.600 0.145 0.000 0.857 163 E CA -1.072 55.404 56.400 0.126 0.000 1.257 163 E CB 0.859 30.624 29.700 0.108 0.000 1.676 163 E HN 0.535 nan 8.360 nan 0.000 0.480 164 R N -0.051 120.532 120.500 0.139 0.000 2.728 164 R HA 0.328 4.668 4.340 0.000 0.000 0.274 164 R C -2.730 173.651 176.300 0.135 0.000 1.030 164 R CA -1.775 54.421 56.100 0.161 0.000 0.876 164 R CB 0.618 31.025 30.300 0.179 0.000 1.259 164 R HN 0.420 nan 8.270 nan 0.000 0.468 165 P HA 0.135 nan 4.420 nan 0.000 0.280 165 P C -0.856 176.508 177.300 0.107 0.000 1.278 165 P CA -0.212 62.935 63.100 0.079 0.000 0.787 165 P CB 0.848 32.575 31.700 0.045 0.000 1.163 166 R N 0.104 120.632 120.500 0.046 0.000 2.575 166 R HA 0.312 4.653 4.340 0.000 0.000 0.292 166 R C -0.871 175.470 176.300 0.068 0.000 1.246 166 R CA -0.550 55.608 56.100 0.097 0.000 0.973 166 R CB 0.100 30.438 30.300 0.063 0.000 1.187 166 R HN 0.275 nan 8.270 nan 0.000 0.478 167 Y N 2.814 123.130 120.300 0.026 0.000 2.357 167 Y HA -0.022 4.529 4.550 0.000 0.000 0.340 167 Y C 1.412 177.323 175.900 0.018 0.000 1.260 167 Y CA -0.253 57.859 58.100 0.019 0.000 1.425 167 Y CB 0.598 39.067 38.460 0.015 0.000 1.326 167 Y HN 0.530 nan 8.280 nan 0.000 0.580 168 L N 1.862 123.174 121.223 0.148 0.000 1.989 168 L HA -0.083 4.257 4.340 0.000 0.000 0.211 168 L C 1.993 178.914 176.870 0.085 0.000 1.071 168 L CA 2.388 57.281 54.840 0.088 0.000 0.749 168 L CB -1.328 40.774 42.059 0.071 0.000 0.890 168 L HN 1.045 nan 8.230 nan 0.000 0.431 169 G N -1.227 107.630 108.800 0.095 0.000 2.159 169 G HA2 -0.220 3.740 3.960 0.000 0.000 0.227 169 G HA3 -0.220 3.740 3.960 0.000 0.000 0.227 169 G C 0.478 175.402 174.900 0.040 0.000 0.986 169 G CA 0.210 45.345 45.100 0.059 0.000 0.651 169 G HN 0.513 nan 8.290 nan 0.000 0.523 170 I N -1.532 119.065 120.570 0.046 0.000 2.797 170 I HA 0.759 4.929 4.170 0.000 0.000 0.310 170 I C -2.396 173.733 176.117 0.019 0.000 0.990 170 I CA -3.020 58.299 61.300 0.032 0.000 1.228 170 I CB 1.479 39.502 38.000 0.039 0.000 1.406 170 I HN -0.132 nan 8.210 nan 0.000 0.534 171 P HA 0.238 nan 4.420 nan 0.000 0.275 171 P C 0.459 177.731 177.300 -0.047 0.000 1.276 171 P CA 0.490 63.577 63.100 -0.022 0.000 0.782 171 P CB 0.761 32.452 31.700 -0.015 0.000 0.851 172 G N 3.783 112.524 108.800 -0.098 0.000 2.201 172 G HA2 -0.229 3.731 3.960 0.000 0.000 0.212 172 G HA3 -0.229 3.731 3.960 0.000 0.000 0.212 172 G C 0.959 175.800 174.900 -0.098 0.000 0.994 172 G CA 0.299 45.280 45.100 -0.198 0.000 0.644 172 G HN 0.536 nan 8.290 nan 0.000 0.508 173 D N 1.046 121.451 120.400 0.009 0.000 2.158 173 D HA -0.138 4.502 4.640 0.000 0.000 0.197 173 D C 1.794 178.274 176.300 0.300 0.000 0.995 173 D CA 1.593 55.681 54.000 0.145 0.000 0.846 173 D CB -0.212 40.689 40.800 0.169 0.000 0.941 173 D HN 0.551 nan 8.370 nan 0.000 0.456 174 K N 0.006 120.438 120.400 0.053 0.000 2.348 174 K HA 0.083 4.403 4.320 0.000 0.000 0.194 174 K C 2.238 178.798 176.600 -0.067 0.000 1.052 174 K CA 0.018 56.212 56.287 -0.156 0.000 1.004 174 K CB 0.508 32.706 32.500 -0.504 0.000 0.873 174 K HN 0.202 nan 8.250 nan 0.000 0.523 175 E N 0.758 120.876 120.200 -0.137 0.000 1.998 175 E HA -0.161 4.189 4.350 0.000 0.000 0.196 175 E C 0.705 177.291 176.600 -0.023 0.000 1.003 175 E CA 1.383 57.651 56.400 -0.219 0.000 0.829 175 E CB -0.231 29.125 29.700 -0.573 0.000 0.777 175 E HN 0.341 nan 8.360 nan 0.000 0.460 176 Y N 0.209 120.554 120.300 0.075 0.000 2.571 176 Y HA 0.275 4.826 4.550 0.000 0.000 0.275 176 Y C 0.452 176.414 175.900 0.104 0.000 1.179 176 Y CA -1.346 56.801 58.100 0.078 0.000 1.242 176 Y CB -0.398 38.096 38.460 0.056 0.000 1.126 176 Y HN -0.004 nan 8.280 nan 0.000 0.524 177 C N 2.559 122.000 119.300 0.235 0.000 2.399 177 C HA 0.763 5.223 4.460 0.000 0.000 0.348 177 C C 0.436 175.540 174.990 0.190 0.000 1.183 177 C CA -0.921 58.214 59.018 0.193 0.000 2.023 177 C CB 1.107 28.944 27.740 0.162 0.000 2.361 177 C HN 0.339 nan 8.230 nan 0.000 0.521 178 I N 0.388 121.009 120.570 0.085 0.000 3.108 178 I HA 0.858 5.028 4.170 0.000 0.000 0.312 178 I C -0.128 175.939 176.117 -0.082 0.000 1.095 178 I CA -0.330 60.999 61.300 0.048 0.000 1.000 178 I CB 1.143 39.160 38.000 0.027 0.000 1.229 178 I HN 0.767 nan 8.210 nan 0.000 0.454 179 S N 0.656 116.302 115.700 -0.089 0.000 2.998 179 S HA 0.410 4.881 4.470 0.000 0.000 0.323 179 S C 0.613 175.112 174.600 -0.168 0.000 1.141 179 S CA 0.066 58.166 58.200 -0.168 0.000 0.873 179 S CB 0.953 64.049 63.200 -0.173 0.000 1.315 179 S HN 0.637 nan 8.310 nan 0.000 0.637 180 S N 0.686 116.290 115.700 -0.162 0.000 2.537 180 S HA 0.003 4.473 4.470 0.000 0.000 0.240 180 S C 0.114 174.643 174.600 -0.119 0.000 0.981 180 S CA 1.304 59.395 58.200 -0.182 0.000 0.948 180 S CB -0.672 62.485 63.200 -0.071 0.000 0.759 180 S HN 0.702 nan 8.310 nan 0.000 0.531 181 D N 1.055 121.436 120.400 -0.032 0.000 2.422 181 D HA 0.099 4.739 4.640 0.000 0.000 0.218 181 D C 0.625 176.983 176.300 0.096 0.000 1.047 181 D CA 0.369 54.402 54.000 0.055 0.000 0.885 181 D CB -0.158 40.827 40.800 0.307 0.000 1.035 181 D HN 0.218 nan 8.370 nan 0.000 0.502 182 D N -0.310 120.109 120.400 0.031 0.000 2.339 182 D HA 0.063 4.703 4.640 0.000 0.000 0.217 182 D C 1.401 177.647 176.300 -0.089 0.000 1.050 182 D CA 0.124 54.139 54.000 0.026 0.000 0.856 182 D CB 0.571 41.402 40.800 0.052 0.000 0.922 182 D HN 0.036 nan 8.370 nan 0.000 0.518 183 L N -0.739 120.365 121.223 -0.199 0.000 2.265 183 L HA 0.189 4.529 4.340 0.000 0.000 0.195 183 L C 0.833 177.622 176.870 -0.135 0.000 1.083 183 L CA 1.029 55.714 54.840 -0.259 0.000 0.798 183 L CB -0.469 41.359 42.059 -0.385 0.000 0.989 183 L HN -0.135 nan 8.230 nan 0.000 0.472 184 F N 0.390 120.374 119.950 0.058 0.000 2.649 184 F HA -0.038 4.489 4.527 0.000 0.000 0.293 184 F C 1.557 177.374 175.800 0.029 0.000 1.210 184 F CA 0.798 58.838 58.000 0.068 0.000 1.486 184 F CB -1.233 37.776 39.000 0.015 0.000 1.121 184 F HN 0.153 nan 8.300 nan 0.000 0.616 185 S N -1.562 114.191 115.700 0.088 0.000 2.820 185 S HA 0.219 4.690 4.470 0.000 0.000 0.265 185 S C 0.324 174.831 174.600 -0.154 0.000 1.043 185 S CA -0.492 57.724 58.200 0.028 0.000 1.245 185 S CB 0.265 63.517 63.200 0.088 0.000 1.187 185 S HN 0.023 nan 8.310 nan 0.000 0.673 186 L N 3.314 124.309 121.223 -0.380 0.000 2.601 186 L HA 0.058 4.398 4.340 0.000 0.000 0.277 186 L C -1.693 174.774 176.870 -0.671 0.000 1.219 186 L CA -0.567 53.851 54.840 -0.702 0.000 0.915 186 L CB 0.339 41.699 42.059 -1.166 0.000 1.160 186 L HN -0.012 nan 8.230 nan 0.000 0.494 187 P HA -0.077 nan 4.420 nan 0.000 0.236 187 P C -1.000 176.229 177.300 -0.119 0.000 1.172 187 P CA 1.108 64.103 63.100 -0.176 0.000 0.759 187 P CB 0.041 31.764 31.700 0.038 0.000 0.843 188 Y N -4.934 115.157 120.300 -0.349 0.000 2.840 188 Y HA 0.513 5.063 4.550 0.000 0.000 0.324 188 Y C -0.833 174.718 175.900 -0.582 0.000 1.378 188 Y CA -1.929 55.994 58.100 -0.294 0.000 1.077 188 Y CB 0.122 38.486 38.460 -0.160 0.000 1.361 188 Y HN -0.426 nan 8.280 nan 0.000 0.459 189 C N 3.589 122.940 119.300 0.085 0.000 2.227 189 C HA 0.422 4.882 4.460 0.000 0.000 0.333 189 C C -1.390 173.802 174.990 0.336 0.000 1.145 189 C CA -1.995 57.220 59.018 0.328 0.000 1.643 189 C CB -0.794 27.255 27.740 0.515 0.000 2.185 189 C HN 0.644 nan 8.230 nan 0.000 0.497 190 P HA -0.023 nan 4.420 nan 0.000 0.226 190 P C 1.213 178.680 177.300 0.279 0.000 1.139 190 P CA 1.968 65.243 63.100 0.292 0.000 0.777 190 P CB -0.406 31.469 31.700 0.291 0.000 0.757 191 G N 0.486 109.459 108.800 0.287 0.000 2.531 191 G HA2 -0.360 3.600 3.960 0.000 0.000 0.477 191 G HA3 -0.360 3.600 3.960 0.000 0.000 0.477 191 G C 0.080 175.085 174.900 0.175 0.000 1.342 191 G CA -0.056 45.167 45.100 0.206 0.000 0.911 191 G HN 0.439 nan 8.290 nan 0.000 0.532 192 K N 0.824 121.318 120.400 0.156 0.000 2.036 192 K HA 0.211 4.532 4.320 0.000 0.000 0.246 192 K C 0.957 177.669 176.600 0.187 0.000 1.148 192 K CA 0.842 57.228 56.287 0.164 0.000 1.200 192 K CB -0.777 31.847 32.500 0.207 0.000 0.964 192 K HN 0.758 nan 8.250 nan 0.000 0.364 193 T N 2.523 117.123 114.554 0.077 0.000 2.897 193 T HA 0.447 4.798 4.350 0.000 0.000 0.278 193 T C -0.496 174.051 174.700 -0.255 0.000 0.981 193 T CA -0.979 61.126 62.100 0.007 0.000 0.973 193 T CB 0.873 69.759 68.868 0.030 0.000 1.092 193 T HN 0.530 nan 8.240 nan 0.000 0.543 194 L N 2.081 123.134 121.223 -0.284 0.000 2.381 194 L HA 0.817 5.158 4.340 0.000 0.000 0.268 194 L C -1.600 175.132 176.870 -0.231 0.000 0.997 194 L CA -0.898 53.672 54.840 -0.451 0.000 0.818 194 L CB 2.057 43.748 42.059 -0.613 0.000 1.310 194 L HN 0.548 nan 8.230 nan 0.000 0.416 195 V N 4.701 124.471 119.914 -0.241 0.000 2.495 195 V HA 0.479 4.599 4.120 0.000 0.000 0.298 195 V C -0.426 175.587 176.094 -0.136 0.000 1.031 195 V CA -0.650 61.545 62.300 -0.174 0.000 0.871 195 V CB 1.891 33.596 31.823 -0.196 0.000 0.988 195 V HN 0.500 nan 8.190 nan 0.000 0.432 196 V N 3.993 123.851 119.914 -0.093 0.000 2.384 196 V HA 0.978 5.098 4.120 0.000 0.000 0.287 196 V C 0.553 176.619 176.094 -0.047 0.000 1.020 196 V CA 0.667 62.935 62.300 -0.054 0.000 0.850 196 V CB 0.827 32.633 31.823 -0.028 0.000 0.987 196 V HN 1.305 nan 8.190 nan 0.000 0.436 197 G N 3.932 112.721 108.800 -0.017 0.000 2.361 197 G HA2 0.520 4.480 3.960 0.000 0.000 0.331 197 G HA3 0.520 4.480 3.960 0.000 0.000 0.331 197 G C -0.389 174.533 174.900 0.036 0.000 1.324 197 G CA 0.119 45.222 45.100 0.004 0.000 0.984 197 G HN 1.359 nan 8.290 nan 0.000 0.586 198 A N -0.726 122.134 122.820 0.066 0.000 2.596 198 A HA 0.798 5.118 4.320 0.000 0.000 0.276 198 A C 0.689 178.355 177.584 0.136 0.000 0.962 198 A CA 1.474 53.577 52.037 0.110 0.000 1.010 198 A CB 0.111 19.182 19.000 0.120 0.000 1.220 198 A HN 1.841 nan 8.150 nan 0.000 0.549 199 S N -1.313 114.459 115.700 0.120 0.000 2.690 199 S HA 0.468 4.938 4.470 0.000 0.000 0.285 199 S C 1.540 176.278 174.600 0.231 0.000 1.135 199 S CA 0.176 58.501 58.200 0.210 0.000 1.020 199 S CB 0.211 63.534 63.200 0.206 0.000 1.159 199 S HN 0.839 nan 8.310 nan 0.000 0.534 200 Y N 0.441 120.861 120.300 0.201 0.000 2.053 200 Y HA -0.113 4.437 4.550 0.000 0.000 0.277 200 Y C 2.057 178.025 175.900 0.114 0.000 1.159 200 Y CA 1.929 60.132 58.100 0.170 0.000 1.125 200 Y CB -1.764 36.830 38.460 0.223 0.000 0.969 200 Y HN 0.210 nan 8.280 nan 0.000 0.492 201 V N 1.502 121.135 119.914 -0.467 0.000 2.250 201 V HA -0.393 3.728 4.120 0.000 0.000 0.250 201 V C 2.962 178.966 176.094 -0.151 0.000 1.060 201 V CA 2.557 64.663 62.300 -0.325 0.000 1.030 201 V CB -1.732 29.843 31.823 -0.414 0.000 0.643 201 V HN 0.720 nan 8.190 nan 0.000 0.445 202 A N -0.663 122.082 122.820 -0.124 0.000 1.883 202 A HA -0.194 4.126 4.320 0.000 0.000 0.217 202 A C 2.223 179.750 177.584 -0.095 0.000 1.186 202 A CA 2.155 54.131 52.037 -0.102 0.000 0.624 202 A CB -0.536 18.430 19.000 -0.057 0.000 0.822 202 A HN 0.508 nan 8.150 nan 0.000 0.444 203 L N -1.630 119.578 121.223 -0.024 0.000 2.095 203 L HA -0.101 4.239 4.340 0.000 0.000 0.204 203 L C 2.608 179.453 176.870 -0.042 0.000 1.080 203 L CA 1.449 56.288 54.840 -0.001 0.000 0.759 203 L CB -0.573 41.546 42.059 0.101 0.000 0.914 203 L HN 0.529 nan 8.230 nan 0.000 0.439 204 E N -0.391 119.802 120.200 -0.011 0.000 2.097 204 E HA -0.263 4.087 4.350 0.000 0.000 0.196 204 E C 2.331 178.801 176.600 -0.217 0.000 1.000 204 E CA 1.925 58.316 56.400 -0.015 0.000 0.804 204 E CB 0.007 29.760 29.700 0.088 0.000 0.740 204 E HN 0.467 nan 8.360 nan 0.000 0.454 205 C N -0.243 118.883 119.300 -0.291 0.000 2.548 205 C HA -0.027 4.433 4.460 0.000 0.000 0.284 205 C C 2.806 177.387 174.990 -0.681 0.000 1.252 205 C CA 0.958 59.608 59.018 -0.613 0.000 1.725 205 C CB -1.112 26.427 27.740 -0.336 0.000 2.098 205 C HN 0.654 nan 8.230 nan 0.000 0.471 206 A N 0.428 123.031 122.820 -0.363 0.000 2.104 206 A HA -0.119 4.201 4.320 0.000 0.000 0.223 206 A C 2.135 179.560 177.584 -0.266 0.000 1.164 206 A CA 2.338 54.202 52.037 -0.288 0.000 0.659 206 A CB -1.216 17.637 19.000 -0.245 0.000 0.808 206 A HN 0.686 nan 8.150 nan 0.000 0.465 207 G N 0.094 108.731 108.800 -0.273 0.000 2.575 207 G HA2 -0.115 3.845 3.960 0.000 0.000 0.215 207 G HA3 -0.115 3.845 3.960 0.000 0.000 0.215 207 G C 1.314 176.169 174.900 -0.074 0.000 1.262 207 G CA 1.285 46.307 45.100 -0.130 0.000 0.807 207 G HN 0.820 nan 8.290 nan 0.000 0.567 208 F N 0.537 120.539 119.950 0.087 0.000 2.186 208 F HA 0.158 4.685 4.527 0.000 0.000 0.299 208 F C 2.157 177.941 175.800 -0.027 0.000 1.090 208 F CA -0.027 57.999 58.000 0.044 0.000 1.307 208 F CB -1.146 37.898 39.000 0.072 0.000 1.019 208 F HN -0.009 nan 8.300 nan 0.000 0.489 209 L N 1.211 122.485 121.223 0.084 0.000 2.064 209 L HA -0.270 4.071 4.340 0.000 0.000 0.216 209 L C 2.571 179.483 176.870 0.071 0.000 1.077 209 L CA 2.225 57.164 54.840 0.165 0.000 0.766 209 L CB -1.847 40.201 42.059 -0.018 0.000 0.890 209 L HN 0.464 nan 8.230 nan 0.000 0.435 210 A N -1.366 121.454 122.820 0.001 0.000 1.984 210 A HA 0.139 4.459 4.320 0.000 0.000 0.214 210 A C 2.376 179.959 177.584 -0.001 0.000 1.173 210 A CA 0.913 52.944 52.037 -0.009 0.000 0.673 210 A CB -0.763 18.213 19.000 -0.039 0.000 0.830 210 A HN 0.417 nan 8.150 nan 0.000 0.453 211 G N 0.651 109.464 108.800 0.023 0.000 2.529 211 G HA2 -0.253 3.708 3.960 0.000 0.000 0.219 211 G HA3 -0.253 3.708 3.960 0.000 0.000 0.219 211 G C 1.215 176.069 174.900 -0.076 0.000 1.177 211 G CA 1.407 46.504 45.100 -0.004 0.000 0.773 211 G HN 0.347 nan 8.290 nan 0.000 0.573 212 I N 1.529 122.027 120.570 -0.120 0.000 3.010 212 I HA 0.134 4.304 4.170 0.000 0.000 0.271 212 I C 2.179 178.223 176.117 -0.121 0.000 1.293 212 I CA 0.668 61.800 61.300 -0.281 0.000 1.452 212 I CB -0.396 37.373 38.000 -0.385 0.000 1.082 212 I HN 0.468 nan 8.210 nan 0.000 0.484 213 G N -0.566 108.208 108.800 -0.044 0.000 2.154 213 G HA2 -0.168 3.792 3.960 0.000 0.000 0.186 213 G HA3 -0.168 3.792 3.960 0.000 0.000 0.186 213 G C 0.282 175.199 174.900 0.029 0.000 1.000 213 G CA -0.252 44.848 45.100 -0.000 0.000 0.664 213 G HN 0.257 nan 8.290 nan 0.000 0.513 214 L N 0.834 122.080 121.223 0.037 0.000 2.379 214 L HA 0.478 4.818 4.340 0.000 0.000 0.269 214 L C 0.294 177.185 176.870 0.034 0.000 1.084 214 L CA -0.976 53.901 54.840 0.063 0.000 0.802 214 L CB 0.952 43.075 42.059 0.107 0.000 1.175 214 L HN 0.099 nan 8.230 nan 0.000 0.448 215 D N 2.154 122.580 120.400 0.043 0.000 2.348 215 D HA 0.174 4.815 4.640 0.000 0.000 0.259 215 D C -0.815 175.467 176.300 -0.029 0.000 1.296 215 D CA 0.007 54.019 54.000 0.019 0.000 0.931 215 D CB 0.644 41.477 40.800 0.055 0.000 1.067 215 D HN 0.073 nan 8.370 nan 0.000 0.503 216 V N 3.428 123.294 119.914 -0.079 0.000 2.581 216 V HA 0.541 4.661 4.120 0.000 0.000 0.303 216 V C 0.448 176.394 176.094 -0.247 0.000 1.041 216 V CA -0.636 61.570 62.300 -0.157 0.000 0.907 216 V CB 2.155 33.887 31.823 -0.151 0.000 0.994 216 V HN 0.515 nan 8.190 nan 0.000 0.442 217 T N 2.792 117.136 114.554 -0.350 0.000 2.971 217 T HA 0.539 4.889 4.350 0.000 0.000 0.304 217 T C -0.873 173.555 174.700 -0.453 0.000 1.038 217 T CA -0.408 61.438 62.100 -0.424 0.000 1.007 217 T CB 1.829 70.409 68.868 -0.479 0.000 1.055 217 T HN 0.358 nan 8.240 nan 0.000 0.451 218 V N 4.225 123.806 119.914 -0.555 0.000 2.384 218 V HA 0.494 4.614 4.120 0.000 0.000 0.287 218 V C 0.004 175.942 176.094 -0.260 0.000 1.020 218 V CA -0.826 61.214 62.300 -0.434 0.000 0.850 218 V CB 1.639 33.138 31.823 -0.540 0.000 0.987 218 V HN 0.902 nan 8.190 nan 0.000 0.436 219 M N 7.070 126.586 119.600 -0.141 0.000 2.144 219 M HA 0.589 5.069 4.480 0.000 0.000 0.356 219 M C -0.765 175.561 176.300 0.044 0.000 1.217 219 M CA -0.437 54.837 55.300 -0.043 0.000 1.087 219 M CB 1.174 33.761 32.600 -0.021 0.000 1.609 219 M HN 0.578 nan 8.290 nan 0.000 0.467 220 V N 3.379 123.357 119.914 0.106 0.000 2.547 220 V HA 0.513 4.633 4.120 0.000 0.000 0.299 220 V C 0.749 176.929 176.094 0.143 0.000 1.040 220 V CA -0.795 61.584 62.300 0.132 0.000 0.913 220 V CB 1.474 33.393 31.823 0.160 0.000 0.992 220 V HN 1.091 nan 8.190 nan 0.000 0.449 221 R N 2.166 122.736 120.500 0.116 0.000 2.052 221 R HA 0.009 4.349 4.340 0.000 0.000 0.226 221 R C 1.581 177.940 176.300 0.098 0.000 1.145 221 R CA 1.911 58.076 56.100 0.107 0.000 0.952 221 R CB 0.106 30.453 30.300 0.078 0.000 0.847 221 R HN 1.002 nan 8.270 nan 0.000 0.431 222 S N -0.001 115.750 115.700 0.084 0.000 3.571 222 S HA 0.252 4.722 4.470 0.000 0.000 0.175 222 S C 0.622 175.261 174.600 0.066 0.000 0.907 222 S CA -0.375 57.867 58.200 0.070 0.000 1.087 222 S CB -0.296 62.937 63.200 0.055 0.000 1.471 222 S HN 0.346 nan 8.310 nan 0.000 0.877 223 I N 1.045 121.651 120.570 0.059 0.000 2.562 223 I HA 0.680 4.850 4.170 0.000 0.000 0.301 223 I C -1.238 174.922 176.117 0.073 0.000 1.003 223 I CA -1.372 59.959 61.300 0.052 0.000 1.127 223 I CB 1.264 39.291 38.000 0.045 0.000 1.304 223 I HN 0.345 nan 8.210 nan 0.000 0.446 224 L N 5.470 126.734 121.223 0.069 0.000 2.472 224 L HA 0.244 4.584 4.340 0.000 0.000 0.260 224 L C 0.542 177.499 176.870 0.144 0.000 1.209 224 L CA -0.410 54.494 54.840 0.106 0.000 0.817 224 L CB 0.018 42.126 42.059 0.081 0.000 1.106 224 L HN 0.652 nan 8.230 nan 0.000 0.479 225 L N 0.059 121.411 121.223 0.216 0.000 3.936 225 L HA -0.252 4.089 4.340 0.000 0.000 0.453 225 L C 0.919 177.969 176.870 0.299 0.000 1.158 225 L CA 0.849 55.906 54.840 0.361 0.000 0.831 225 L CB -1.581 40.753 42.059 0.459 0.000 1.746 225 L HN 0.608 nan 8.230 nan 0.000 0.912 226 R N 0.454 121.055 120.500 0.168 0.000 2.523 226 R HA 0.235 4.575 4.340 0.000 0.000 0.281 226 R C 1.543 177.854 176.300 0.018 0.000 0.969 226 R CA 1.292 57.446 56.100 0.091 0.000 1.093 226 R CB 0.017 30.356 30.300 0.065 0.000 0.917 226 R HN 0.544 nan 8.270 nan 0.000 0.408 227 G N 3.333 112.124 108.800 -0.015 0.000 2.313 227 G HA2 -0.264 3.697 3.960 0.000 0.000 0.215 227 G HA3 -0.264 3.697 3.960 0.000 0.000 0.215 227 G C -0.274 174.544 174.900 -0.136 0.000 1.023 227 G CA -0.145 44.871 45.100 -0.140 0.000 0.626 227 G HN 0.496 nan 8.290 nan 0.000 0.503 228 F N 2.594 122.611 119.950 0.112 0.000 2.384 228 F HA 0.507 5.034 4.527 0.000 0.000 0.338 228 F C 0.756 176.630 175.800 0.122 0.000 1.103 228 F CA -1.236 56.861 58.000 0.160 0.000 1.157 228 F CB 0.951 40.078 39.000 0.211 0.000 1.167 228 F HN 0.079 nan 8.300 nan 0.000 0.529 229 D N 3.239 123.881 120.400 0.403 0.000 2.819 229 D HA -0.143 4.497 4.640 0.000 0.000 0.236 229 D C 1.082 177.430 176.300 0.079 0.000 1.181 229 D CA 0.295 54.404 54.000 0.183 0.000 0.855 229 D CB 0.752 41.618 40.800 0.110 0.000 1.146 229 D HN 0.447 nan 8.370 nan 0.000 0.540 230 Q N 3.043 122.871 119.800 0.047 0.000 2.248 230 Q HA -0.188 4.152 4.340 0.000 0.000 0.208 230 Q C 1.263 177.228 176.000 -0.058 0.000 0.984 230 Q CA 1.281 57.089 55.803 0.007 0.000 0.875 230 Q CB -0.121 28.622 28.738 0.008 0.000 0.910 230 Q HN 0.658 nan 8.270 nan 0.000 0.433 231 D N -0.692 119.652 120.400 -0.093 0.000 2.103 231 D HA -0.099 4.542 4.640 0.000 0.000 0.199 231 D C 1.692 177.850 176.300 -0.236 0.000 0.978 231 D CA 0.815 54.722 54.000 -0.155 0.000 0.829 231 D CB 0.176 40.875 40.800 -0.168 0.000 0.981 231 D HN 0.005 nan 8.370 nan 0.000 0.464 232 M N 0.899 120.338 119.600 -0.269 0.000 2.065 232 M HA -0.075 4.405 4.480 0.000 0.000 0.259 232 M C 2.435 178.509 176.300 -0.377 0.000 1.069 232 M CA 1.452 56.500 55.300 -0.420 0.000 1.110 232 M CB -1.686 30.522 32.600 -0.653 0.000 1.328 232 M HN 0.112 nan 8.290 nan 0.000 0.405 233 A N 1.433 124.093 122.820 -0.267 0.000 1.882 233 A HA -0.288 4.032 4.320 0.000 0.000 0.220 233 A C 2.056 179.556 177.584 -0.140 0.000 1.253 233 A CA 2.611 54.559 52.037 -0.149 0.000 0.664 233 A CB -1.512 17.472 19.000 -0.027 0.000 0.838 233 A HN 0.709 nan 8.150 nan 0.000 0.460 234 N N -0.533 118.088 118.700 -0.132 0.000 2.094 234 N HA -0.203 4.537 4.740 0.000 0.000 0.191 234 N C 1.822 177.254 175.510 -0.131 0.000 1.023 234 N CA 1.654 54.628 53.050 -0.127 0.000 0.857 234 N CB -0.244 38.176 38.487 -0.111 0.000 1.013 234 N HN 0.571 nan 8.380 nan 0.000 0.426 235 K N 1.056 121.363 120.400 -0.156 0.000 2.026 235 K HA -0.042 4.278 4.320 0.000 0.000 0.208 235 K C 2.173 178.741 176.600 -0.053 0.000 1.048 235 K CA 0.850 57.064 56.287 -0.121 0.000 0.929 235 K CB -0.132 32.248 32.500 -0.200 0.000 0.713 235 K HN 0.158 nan 8.250 nan 0.000 0.439 236 I N 0.892 121.415 120.570 -0.077 0.000 2.118 236 I HA -0.292 3.878 4.170 0.000 0.000 0.241 236 I C 2.506 178.648 176.117 0.042 0.000 1.070 236 I CA 1.641 62.947 61.300 0.010 0.000 1.327 236 I CB -0.974 37.001 38.000 -0.041 0.000 1.034 236 I HN 0.351 nan 8.210 nan 0.000 0.405 237 G N 0.598 109.362 108.800 -0.061 0.000 2.545 237 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 237 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 237 G C 1.436 176.246 174.900 -0.150 0.000 1.218 237 G CA 0.695 45.676 45.100 -0.197 0.000 0.787 237 G HN 0.381 nan 8.290 nan 0.000 0.571 238 E N -0.007 120.134 120.200 -0.098 0.000 2.136 238 E HA -0.259 4.092 4.350 0.000 0.000 0.202 238 E C 1.963 178.616 176.600 0.089 0.000 1.019 238 E CA 1.386 57.767 56.400 -0.032 0.000 0.819 238 E CB -0.548 29.144 29.700 -0.013 0.000 0.739 238 E HN 0.730 nan 8.360 nan 0.000 0.458 239 H N 0.374 119.460 119.070 0.025 0.000 2.253 239 H HA -0.067 4.489 4.556 0.000 0.000 0.299 239 H C 2.426 177.859 175.328 0.176 0.000 1.064 239 H CA 1.611 57.723 56.048 0.107 0.000 1.264 239 H CB -0.016 29.785 29.762 0.064 0.000 1.371 239 H HN 0.055 nan 8.280 nan 0.000 0.493 240 M N 0.568 120.203 119.600 0.060 0.000 2.103 240 M HA -0.264 4.216 4.480 0.000 0.000 0.255 240 M C 2.370 178.777 176.300 0.177 0.000 1.074 240 M CA 1.974 57.326 55.300 0.087 0.000 1.090 240 M CB -0.398 32.373 32.600 0.284 0.000 1.325 240 M HN 0.428 nan 8.290 nan 0.000 0.403 241 E N 0.106 120.433 120.200 0.212 0.000 2.160 241 E HA -0.212 4.138 4.350 0.000 0.000 0.195 241 E C 1.689 178.337 176.600 0.080 0.000 0.991 241 E CA 1.210 57.719 56.400 0.181 0.000 0.810 241 E CB 0.086 29.806 29.700 0.033 0.000 0.742 241 E HN 0.553 nan 8.360 nan 0.000 0.466 242 E N -1.031 119.209 120.200 0.068 0.000 2.299 242 E HA -0.069 4.282 4.350 0.000 0.000 0.193 242 E C 0.030 176.509 176.600 -0.202 0.000 0.998 242 E CA 0.440 56.819 56.400 -0.035 0.000 0.851 242 E CB 0.223 29.936 29.700 0.021 0.000 0.795 242 E HN 0.292 nan 8.360 nan 0.000 0.492 243 H N -1.007 118.003 119.070 -0.100 0.000 2.328 243 H HA 0.331 4.887 4.556 0.000 0.000 0.230 243 H C 0.586 175.862 175.328 -0.086 0.000 1.481 243 H CA 0.223 56.202 56.048 -0.115 0.000 1.306 243 H CB 0.763 30.399 29.762 -0.209 0.000 1.531 243 H HN 0.257 nan 8.280 nan 0.000 0.533 244 G N 0.765 109.571 108.800 0.009 0.000 4.165 244 G HA2 -0.300 3.660 3.960 0.000 0.000 0.211 244 G HA3 -0.300 3.660 3.960 0.000 0.000 0.211 244 G C 0.415 175.308 174.900 -0.013 0.000 1.469 244 G CA -0.163 44.935 45.100 -0.002 0.000 0.964 244 G HN 0.428 nan 8.290 nan 0.000 0.613 245 I N 2.563 123.122 120.570 -0.019 0.000 2.845 245 I HA 0.164 4.334 4.170 0.000 0.000 0.296 245 I C 0.791 176.867 176.117 -0.068 0.000 1.216 245 I CA 0.737 61.982 61.300 -0.091 0.000 1.438 245 I CB 0.318 38.246 38.000 -0.120 0.000 1.342 245 I HN 0.220 nan 8.210 nan 0.000 0.577 246 K N 5.648 125.929 120.400 -0.199 0.000 2.156 246 K HA 0.659 4.979 4.320 0.000 0.000 0.250 246 K C -1.161 175.248 176.600 -0.318 0.000 0.955 246 K CA -0.581 55.638 56.287 -0.113 0.000 0.855 246 K CB 1.659 34.100 32.500 -0.097 0.000 1.101 246 K HN 0.230 nan 8.250 nan 0.000 0.434 247 F N 1.262 121.165 119.950 -0.078 0.000 2.563 247 F HA 0.482 5.010 4.527 0.000 0.000 0.316 247 F C -0.108 175.625 175.800 -0.112 0.000 1.076 247 F CA -0.890 57.060 58.000 -0.084 0.000 0.921 247 F CB 1.416 40.381 39.000 -0.057 0.000 1.209 247 F HN 0.168 nan 8.300 nan 0.000 0.462 248 I N 3.919 124.499 120.570 0.016 0.000 2.420 248 I HA 0.383 4.553 4.170 0.000 0.000 0.282 248 I C -0.547 175.534 176.117 -0.060 0.000 1.019 248 I CA -0.980 60.236 61.300 -0.139 0.000 1.130 248 I CB 0.994 38.831 38.000 -0.273 0.000 1.262 248 I HN 0.347 nan 8.210 nan 0.000 0.454 249 R N 4.867 125.351 120.500 -0.027 0.000 2.389 249 R HA 0.216 4.556 4.340 0.000 0.000 0.295 249 R C 0.099 176.549 176.300 0.250 0.000 1.075 249 R CA -0.238 55.916 56.100 0.091 0.000 1.005 249 R CB 0.365 30.710 30.300 0.075 0.000 0.987 249 R HN 0.594 nan 8.270 nan 0.000 0.452 250 Q N 0.661 120.614 119.800 0.255 0.000 2.453 250 Q HA -0.227 4.114 4.340 0.000 0.000 0.330 250 Q C -1.091 175.178 176.000 0.448 0.000 1.417 250 Q CA 0.806 56.777 55.803 0.280 0.000 0.902 250 Q CB -1.198 27.652 28.738 0.187 0.000 1.154 250 Q HN 0.362 nan 8.270 nan 0.000 0.395 251 F N -1.213 118.762 119.950 0.041 0.000 2.664 251 F HA 0.831 5.358 4.527 0.000 0.000 0.329 251 F C 0.121 175.942 175.800 0.035 0.000 1.090 251 F CA -1.301 56.722 58.000 0.038 0.000 0.978 251 F CB 1.894 40.920 39.000 0.042 0.000 1.378 251 F HN -0.160 nan 8.300 nan 0.000 0.495 252 V N 1.547 121.580 119.914 0.199 0.000 2.891 252 V HA 0.357 4.477 4.120 0.000 0.000 0.304 252 V C -2.555 173.607 176.094 0.114 0.000 1.171 252 V CA -1.939 60.436 62.300 0.126 0.000 0.943 252 V CB 2.332 34.197 31.823 0.069 0.000 1.037 252 V HN 0.442 nan 8.190 nan 0.000 0.427 253 P HA 0.154 nan 4.420 nan 0.000 0.266 253 P C 0.584 177.927 177.300 0.072 0.000 1.193 253 P CA 0.377 63.535 63.100 0.097 0.000 0.770 253 P CB 0.580 32.329 31.700 0.081 0.000 0.836 254 T N -1.162 113.433 114.554 0.068 0.000 3.058 254 T HA 0.254 4.605 4.350 0.000 0.000 0.247 254 T C -0.113 174.614 174.700 0.045 0.000 0.987 254 T CA 0.187 62.316 62.100 0.048 0.000 1.062 254 T CB 0.099 68.992 68.868 0.042 0.000 1.048 254 T HN 0.410 nan 8.240 nan 0.000 0.468 255 K N 0.572 121.005 120.400 0.054 0.000 2.572 255 K HA 0.681 5.001 4.320 0.000 0.000 0.263 255 K C -1.537 175.103 176.600 0.066 0.000 0.932 255 K CA -0.817 55.498 56.287 0.047 0.000 0.838 255 K CB 1.270 33.792 32.500 0.036 0.000 1.366 255 K HN 0.303 nan 8.250 nan 0.000 0.425 256 I N 0.468 121.077 120.570 0.066 0.000 2.783 256 I HA 0.525 4.695 4.170 0.000 0.000 0.312 256 I C -1.079 175.109 176.117 0.118 0.000 0.988 256 I CA -0.517 60.846 61.300 0.106 0.000 1.182 256 I CB 1.621 39.698 38.000 0.128 0.000 1.368 256 I HN 0.930 nan 8.210 nan 0.000 0.511 257 E N 5.022 125.328 120.200 0.176 0.000 2.639 257 E HA 0.083 4.433 4.350 0.000 0.000 0.378 257 E C -1.390 175.315 176.600 0.174 0.000 1.002 257 E CA -0.521 55.986 56.400 0.177 0.000 0.747 257 E CB 0.760 30.517 29.700 0.094 0.000 1.571 257 E HN 0.631 nan 8.360 nan 0.000 0.382 258 Q N 4.786 124.739 119.800 0.256 0.000 2.311 258 Q HA 0.125 4.465 4.340 0.000 0.000 0.272 258 Q C -0.091 175.882 176.000 -0.045 0.000 1.012 258 Q CA 0.097 55.885 55.803 -0.024 0.000 0.891 258 Q CB 1.063 29.492 28.738 -0.516 0.000 1.201 258 Q HN 0.740 nan 8.270 nan 0.000 0.391 259 I N 1.178 121.713 120.570 -0.059 0.000 3.956 259 I HA 0.216 4.386 4.170 0.000 0.000 0.333 259 I C -0.134 175.939 176.117 -0.074 0.000 1.302 259 I CA 0.270 61.539 61.300 -0.052 0.000 1.122 259 I CB 0.414 38.387 38.000 -0.046 0.000 1.013 259 I HN 0.785 nan 8.210 nan 0.000 0.405 260 E N 0.092 120.225 120.200 -0.112 0.000 2.416 260 E HA 0.568 4.918 4.350 0.000 0.000 0.280 260 E C -1.708 174.788 176.600 -0.173 0.000 1.055 260 E CA -0.423 55.907 56.400 -0.117 0.000 0.825 260 E CB 2.437 32.080 29.700 -0.095 0.000 1.312 260 E HN 0.031 nan 8.360 nan 0.000 0.452 261 A N 0.063 122.788 122.820 -0.158 0.000 2.387 261 A HA 1.010 5.330 4.320 0.000 0.000 0.303 261 A C 0.066 177.552 177.584 -0.163 0.000 1.145 261 A CA 0.134 52.059 52.037 -0.187 0.000 0.801 261 A CB 1.660 20.561 19.000 -0.164 0.000 1.342 261 A HN 0.876 nan 8.150 nan 0.000 0.440 262 G N -1.393 107.297 108.800 -0.183 0.000 2.334 262 G HA2 0.364 4.324 3.960 0.000 0.000 0.315 262 G HA3 0.364 4.324 3.960 0.000 0.000 0.315 262 G C 0.397 175.091 174.900 -0.344 0.000 1.284 262 G CA 0.673 45.650 45.100 -0.205 0.000 0.985 262 G HN 1.451 nan 8.290 nan 0.000 0.504 263 T N -0.822 113.463 114.554 -0.449 0.000 2.732 263 T HA 0.130 4.481 4.350 0.000 0.000 0.261 263 T C -1.435 172.439 174.700 -1.376 0.000 1.040 263 T CA 1.820 63.311 62.100 -1.016 0.000 1.145 263 T CB -0.621 67.890 68.868 -0.595 0.000 0.866 263 T HN 0.468 nan 8.240 nan 0.000 0.427 264 P HA 0.405 nan 4.420 nan 0.000 0.205 264 P C 0.008 177.183 177.300 -0.209 0.000 1.858 264 P CA -0.540 62.388 63.100 -0.288 0.000 0.998 264 P CB 0.153 31.791 31.700 -0.103 0.000 1.875 265 G N 1.323 109.967 108.800 -0.259 0.000 2.378 265 G HA2 0.149 4.109 3.960 0.000 0.000 0.255 265 G HA3 0.149 4.109 3.960 0.000 0.000 0.255 265 G C -0.330 174.507 174.900 -0.105 0.000 1.270 265 G CA -0.586 44.406 45.100 -0.181 0.000 0.876 265 G HN 0.265 nan 8.290 nan 0.000 0.521 266 R N 3.062 123.506 120.500 -0.094 0.000 2.288 266 R HA 0.281 4.621 4.340 0.000 0.000 0.330 266 R C 0.030 176.291 176.300 -0.065 0.000 1.069 266 R CA -0.276 55.785 56.100 -0.064 0.000 0.941 266 R CB 0.070 30.331 30.300 -0.066 0.000 0.998 266 R HN 0.361 nan 8.270 nan 0.000 0.452 267 L N 3.479 124.688 121.223 -0.024 0.000 2.331 267 L HA 0.560 4.900 4.340 0.000 0.000 0.268 267 L C -0.429 176.436 176.870 -0.008 0.000 1.015 267 L CA -1.123 53.723 54.840 0.010 0.000 0.807 267 L CB 1.710 43.822 42.059 0.088 0.000 1.293 267 L HN 0.586 nan 8.230 nan 0.000 0.451 268 K N 1.168 121.586 120.400 0.030 0.000 2.652 268 K HA 0.532 4.853 4.320 0.000 0.000 0.249 268 K C -1.516 175.117 176.600 0.056 0.000 0.986 268 K CA -0.440 55.846 56.287 -0.002 0.000 0.867 268 K CB 1.623 34.110 32.500 -0.022 0.000 1.201 268 K HN 0.405 nan 8.250 nan 0.000 0.450 269 V N 0.242 120.200 119.914 0.074 0.000 2.815 269 V HA 0.760 4.880 4.120 0.000 0.000 0.314 269 V C -0.194 175.962 176.094 0.103 0.000 1.064 269 V CA -0.701 61.666 62.300 0.111 0.000 0.952 269 V CB 1.460 33.380 31.823 0.162 0.000 1.020 269 V HN 0.849 nan 8.190 nan 0.000 0.439 270 T N -0.569 114.046 114.554 0.102 0.000 2.916 270 T HA 0.958 5.308 4.350 0.000 0.000 0.292 270 T C -0.409 174.367 174.700 0.127 0.000 1.055 270 T CA -0.192 61.972 62.100 0.107 0.000 1.009 270 T CB 1.926 70.839 68.868 0.076 0.000 1.118 270 T HN 1.904 nan 8.240 nan 0.000 0.497 271 A N 1.152 124.070 122.820 0.164 0.000 2.594 271 A HA 0.873 5.193 4.320 0.000 0.000 0.291 271 A C -0.957 176.697 177.584 0.116 0.000 1.105 271 A CA -1.033 51.109 52.037 0.174 0.000 0.694 271 A CB 1.858 21.020 19.000 0.271 0.000 1.291 271 A HN 1.041 nan 8.150 nan 0.000 0.410 272 K N -0.392 120.005 120.400 -0.006 0.000 2.346 272 K HA 0.800 5.120 4.320 0.000 0.000 0.238 272 K C -0.058 176.283 176.600 -0.433 0.000 1.039 272 K CA 0.152 56.317 56.287 -0.203 0.000 0.861 272 K CB 1.892 34.325 32.500 -0.111 0.000 1.278 272 K HN 1.163 nan 8.250 nan 0.000 0.460 273 S N -1.347 114.030 115.700 -0.538 0.000 2.794 273 S HA 0.161 4.631 4.470 0.000 0.000 0.299 273 S C 0.586 175.041 174.600 -0.242 0.000 1.179 273 S CA -0.041 57.856 58.200 -0.504 0.000 0.838 273 S CB 0.959 63.638 63.200 -0.869 0.000 1.206 273 S HN 0.666 nan 8.310 nan 0.000 0.523 274 T N 0.322 114.787 114.554 -0.149 0.000 3.155 274 T HA 0.009 4.360 4.350 0.000 0.000 0.264 274 T C 0.593 175.248 174.700 -0.074 0.000 1.160 274 T CA 1.609 63.662 62.100 -0.079 0.000 1.075 274 T CB -1.395 67.451 68.868 -0.037 0.000 0.921 274 T HN 0.735 nan 8.240 nan 0.000 0.533 275 N N -1.031 117.606 118.700 -0.106 0.000 2.170 275 N HA 0.343 5.083 4.740 0.000 0.000 0.222 275 N C 0.569 176.035 175.510 -0.074 0.000 1.218 275 N CA 0.112 53.119 53.050 -0.071 0.000 0.889 275 N CB 0.419 38.877 38.487 -0.048 0.000 1.083 275 N HN 0.154 nan 8.380 nan 0.000 0.520 276 S N -1.095 114.545 115.700 -0.100 0.000 2.765 276 S HA -0.153 4.318 4.470 0.000 0.000 0.266 276 S C -0.485 174.066 174.600 -0.081 0.000 1.302 276 S CA 0.468 58.622 58.200 -0.078 0.000 1.274 276 S CB -1.004 62.169 63.200 -0.044 0.000 1.559 276 S HN 0.485 nan 8.310 nan 0.000 0.658 277 E N 2.429 122.560 120.200 -0.115 0.000 2.217 277 E HA 0.320 4.670 4.350 0.000 0.000 0.279 277 E C 0.321 176.855 176.600 -0.111 0.000 1.068 277 E CA -0.046 56.307 56.400 -0.078 0.000 0.882 277 E CB 0.743 30.420 29.700 -0.038 0.000 1.039 277 E HN 0.658 nan 8.360 nan 0.000 0.418 278 E N 1.137 121.324 120.200 -0.021 0.000 2.280 278 E HA 0.551 4.901 4.350 0.000 0.000 0.264 278 E C -0.463 176.214 176.600 0.127 0.000 1.064 278 E CA -0.878 55.534 56.400 0.019 0.000 0.900 278 E CB 0.843 30.556 29.700 0.021 0.000 1.123 278 E HN 0.245 nan 8.360 nan 0.000 0.418 279 T N -1.453 113.218 114.554 0.195 0.000 2.952 279 T HA 0.461 4.812 4.350 0.000 0.000 0.305 279 T C -0.463 174.325 174.700 0.147 0.000 1.064 279 T CA -0.760 61.466 62.100 0.209 0.000 1.008 279 T CB 0.593 69.655 68.868 0.324 0.000 1.078 279 T HN 0.637 nan 8.240 nan 0.000 0.459 280 I N 2.308 122.935 120.570 0.096 0.000 2.317 280 I HA 0.276 4.446 4.170 0.000 0.000 0.286 280 I C -0.153 175.986 176.117 0.037 0.000 1.119 280 I CA -0.537 60.798 61.300 0.058 0.000 1.228 280 I CB 0.051 38.070 38.000 0.033 0.000 1.476 280 I HN 0.562 nan 8.210 nan 0.000 0.514 281 E N 5.371 125.612 120.200 0.070 0.000 2.341 281 E HA -0.006 4.345 4.350 0.000 0.000 0.256 281 E C -0.127 176.373 176.600 -0.167 0.000 1.125 281 E CA 0.064 56.506 56.400 0.070 0.000 0.939 281 E CB 0.015 29.880 29.700 0.274 0.000 0.991 281 E HN 0.653 nan 8.360 nan 0.000 0.458 282 D N 1.551 121.784 120.400 -0.278 0.000 2.364 282 D HA -0.072 4.568 4.640 0.000 0.000 0.236 282 D C -0.493 175.260 176.300 -0.912 0.000 1.221 282 D CA -0.327 53.425 54.000 -0.414 0.000 0.891 282 D CB 0.325 40.964 40.800 -0.269 0.000 1.190 282 D HN 0.087 nan 8.370 nan 0.000 0.449 283 E N -0.383 119.475 120.200 -0.570 0.000 2.868 283 E HA 0.072 4.422 4.350 0.000 0.000 0.246 283 E C -0.906 175.348 176.600 -0.577 0.000 0.962 283 E CA 0.629 56.743 56.400 -0.477 0.000 0.955 283 E CB -0.454 29.122 29.700 -0.208 0.000 0.903 283 E HN 0.255 nan 8.360 nan 0.000 0.524 284 F N 2.249 122.207 119.950 0.014 0.000 2.430 284 F HA 0.293 4.820 4.527 0.000 0.000 0.362 284 F C 1.034 176.851 175.800 0.028 0.000 1.103 284 F CA -1.412 56.600 58.000 0.019 0.000 1.045 284 F CB 0.619 39.628 39.000 0.017 0.000 1.276 284 F HN 0.395 nan 8.300 nan 0.000 0.444 285 N N 1.167 119.996 118.700 0.215 0.000 2.503 285 N HA -0.120 4.620 4.740 0.000 0.000 0.189 285 N C -0.107 175.493 175.510 0.151 0.000 1.048 285 N CA 1.147 54.276 53.050 0.132 0.000 0.905 285 N CB 0.067 38.624 38.487 0.117 0.000 0.951 285 N HN 0.426 nan 8.380 nan 0.000 0.446 286 T N 0.544 115.204 114.554 0.176 0.000 3.999 286 T HA 0.091 4.441 4.350 0.000 0.000 0.222 286 T C -0.251 174.515 174.700 0.109 0.000 0.996 286 T CA -0.474 61.718 62.100 0.154 0.000 1.598 286 T CB 0.885 69.848 68.868 0.158 0.000 0.762 286 T HN -0.217 nan 8.240 nan 0.000 0.632 287 V N 2.797 122.786 119.914 0.124 0.000 2.546 287 V HA -0.039 4.081 4.120 0.000 0.000 0.279 287 V C 0.946 177.052 176.094 0.020 0.000 0.968 287 V CA 0.197 62.541 62.300 0.073 0.000 1.157 287 V CB -0.345 31.545 31.823 0.112 0.000 0.938 287 V HN 0.668 nan 8.190 nan 0.000 0.464 288 L N 6.530 127.734 121.223 -0.031 0.000 2.385 288 L HA 0.297 4.637 4.340 0.000 0.000 0.281 288 L C -0.312 176.500 176.870 -0.096 0.000 1.106 288 L CA -0.344 54.453 54.840 -0.071 0.000 0.856 288 L CB 0.852 42.853 42.059 -0.097 0.000 1.186 288 L HN 0.524 nan 8.230 nan 0.000 0.453 289 L N 5.437 126.585 121.223 -0.125 0.000 2.301 289 L HA 0.395 4.735 4.340 0.000 0.000 0.278 289 L C 0.489 177.228 176.870 -0.218 0.000 1.022 289 L CA 0.293 55.038 54.840 -0.159 0.000 0.854 289 L CB 1.328 43.270 42.059 -0.194 0.000 1.226 289 L HN 0.762 nan 8.230 nan 0.000 0.429 290 A N 2.507 125.227 122.820 -0.167 0.000 2.417 290 A HA 0.443 4.763 4.320 0.000 0.000 0.224 290 A C 0.891 178.399 177.584 -0.127 0.000 2.273 290 A CA 0.618 52.556 52.037 -0.165 0.000 1.018 290 A CB 0.096 19.006 19.000 -0.149 0.000 1.400 290 A HN 0.495 nan 8.150 nan 0.000 0.580 291 V N -0.398 119.464 119.914 -0.088 0.000 5.658 291 V HA 0.088 4.208 4.120 0.000 0.000 0.312 291 V C 0.597 176.679 176.094 -0.021 0.000 0.480 291 V CA 1.060 63.333 62.300 -0.045 0.000 0.684 291 V CB -2.527 29.271 31.823 -0.041 0.000 0.426 291 V HN 2.438 nan 8.190 nan 0.000 1.241 292 G N -0.390 108.402 108.800 -0.014 0.000 2.406 292 G HA2 0.335 4.296 3.960 0.000 0.000 0.680 292 G HA3 0.335 4.296 3.960 0.000 0.000 0.680 292 G C -1.074 173.841 174.900 0.025 0.000 1.338 292 G CA -0.454 44.657 45.100 0.018 0.000 0.941 292 G HN 0.709 nan 8.290 nan 0.000 0.633 293 R N 0.085 120.615 120.500 0.050 0.000 2.626 293 R HA 0.568 4.908 4.340 0.000 0.000 0.274 293 R C -1.947 174.398 176.300 0.076 0.000 1.031 293 R CA -0.970 55.170 56.100 0.067 0.000 0.898 293 R CB 2.155 32.499 30.300 0.074 0.000 1.222 293 R HN 0.525 nan 8.270 nan 0.000 0.455 294 D N 0.410 120.862 120.400 0.087 0.000 2.505 294 D HA 0.240 4.880 4.640 0.000 0.000 0.249 294 D C -0.766 175.589 176.300 0.092 0.000 1.082 294 D CA -0.435 53.614 54.000 0.083 0.000 0.839 294 D CB 1.973 42.821 40.800 0.081 0.000 1.317 294 D HN 0.194 nan 8.370 nan 0.000 0.497 295 S N 0.938 116.688 115.700 0.084 0.000 2.525 295 S HA 0.025 4.495 4.470 0.000 0.000 0.285 295 S C 0.082 174.743 174.600 0.101 0.000 1.283 295 S CA -0.401 57.854 58.200 0.091 0.000 1.072 295 S CB 0.040 63.287 63.200 0.078 0.000 0.867 295 S HN 0.526 nan 8.310 nan 0.000 0.492 296 C N 4.548 123.920 119.300 0.120 0.000 2.365 296 C HA 0.264 4.724 4.460 0.000 0.000 0.412 296 C C 1.715 176.782 174.990 0.129 0.000 1.023 296 C CA -0.563 58.536 59.018 0.136 0.000 1.287 296 C CB -2.080 25.762 27.740 0.170 0.000 1.675 296 C HN 1.003 nan 8.230 nan 0.000 0.520 297 T N -1.151 113.468 114.554 0.107 0.000 3.087 297 T HA 0.086 4.436 4.350 0.000 0.000 0.283 297 T C 1.731 176.482 174.700 0.085 0.000 0.956 297 T CA -0.336 61.821 62.100 0.096 0.000 0.894 297 T CB 0.315 69.233 68.868 0.083 0.000 1.160 297 T HN 0.418 nan 8.240 nan 0.000 0.532 298 R N 2.825 123.378 120.500 0.088 0.000 2.089 298 R HA 0.023 4.363 4.340 0.000 0.000 0.222 298 R C 2.094 178.441 176.300 0.080 0.000 1.151 298 R CA 1.890 58.035 56.100 0.075 0.000 0.908 298 R CB -1.707 28.636 30.300 0.072 0.000 0.813 298 R HN 0.544 nan 8.270 nan 0.000 0.440 299 T N 1.115 115.732 114.554 0.105 0.000 3.792 299 T HA 0.298 4.649 4.350 0.000 0.000 0.233 299 T C 0.852 175.609 174.700 0.094 0.000 0.860 299 T CA -0.286 61.884 62.100 0.116 0.000 0.915 299 T CB -1.632 67.331 68.868 0.157 0.000 1.216 299 T HN 0.261 nan 8.240 nan 0.000 0.664 300 I N -3.296 117.295 120.570 0.036 0.000 3.023 300 I HA 0.800 4.970 4.170 0.000 0.000 0.312 300 I C 0.595 176.712 176.117 -0.001 0.000 1.056 300 I CA -2.015 59.241 61.300 -0.074 0.000 1.033 300 I CB 1.371 39.340 38.000 -0.052 0.000 1.233 300 I HN 0.069 nan 8.210 nan 0.000 0.462 301 G N 1.994 110.799 108.800 0.008 0.000 2.428 301 G HA2 0.312 4.272 3.960 0.000 0.000 0.293 301 G HA3 0.312 4.272 3.960 0.000 0.000 0.293 301 G C -0.015 175.003 174.900 0.196 0.000 1.059 301 G CA -0.176 44.992 45.100 0.114 0.000 1.194 301 G HN 0.624 nan 8.290 nan 0.000 0.435 302 L N 2.202 123.481 121.223 0.093 0.000 2.347 302 L HA 0.312 4.652 4.340 0.000 0.000 0.196 302 L C 2.358 179.226 176.870 -0.004 0.000 1.072 302 L CA 1.230 56.101 54.840 0.052 0.000 0.817 302 L CB -0.253 41.833 42.059 0.045 0.000 1.029 302 L HN 0.449 nan 8.230 nan 0.000 0.478 303 E N -0.310 119.894 120.200 0.007 0.000 2.118 303 E HA -0.189 4.161 4.350 0.000 0.000 0.195 303 E C 1.516 178.103 176.600 -0.021 0.000 0.992 303 E CA 1.735 58.130 56.400 -0.008 0.000 0.804 303 E CB -0.541 29.161 29.700 0.003 0.000 0.741 303 E HN 0.629 nan 8.360 nan 0.000 0.458 304 T N -2.416 112.131 114.554 -0.012 0.000 3.278 304 T HA 0.223 4.573 4.350 0.000 0.000 0.251 304 T C 1.004 175.672 174.700 -0.054 0.000 1.039 304 T CA -0.022 62.068 62.100 -0.017 0.000 0.935 304 T CB 0.146 69.021 68.868 0.012 0.000 1.034 304 T HN -0.004 nan 8.240 nan 0.000 0.575 305 V N -1.158 118.686 119.914 -0.117 0.000 3.368 305 V HA 0.566 4.686 4.120 0.000 0.000 0.255 305 V C 1.941 177.936 176.094 -0.165 0.000 1.466 305 V CA 0.027 62.214 62.300 -0.190 0.000 1.095 305 V CB 0.118 31.655 31.823 -0.476 0.000 0.899 305 V HN 0.596 nan 8.190 nan 0.000 0.440 306 G N 0.934 109.650 108.800 -0.141 0.000 2.163 306 G HA2 -0.191 3.769 3.960 0.000 0.000 0.213 306 G HA3 -0.191 3.769 3.960 0.000 0.000 0.213 306 G C 0.128 174.948 174.900 -0.133 0.000 0.991 306 G CA -0.009 45.018 45.100 -0.121 0.000 0.653 306 G HN 0.404 nan 8.290 nan 0.000 0.518 307 V N 1.832 121.655 119.914 -0.153 0.000 2.637 307 V HA 0.306 4.427 4.120 0.000 0.000 0.296 307 V C 0.926 176.976 176.094 -0.074 0.000 1.046 307 V CA 0.098 62.323 62.300 -0.124 0.000 1.066 307 V CB 1.330 33.076 31.823 -0.128 0.000 0.968 307 V HN 0.282 nan 8.190 nan 0.000 0.483 308 K N 5.223 125.585 120.400 -0.063 0.000 2.118 308 K HA 0.713 5.033 4.320 0.000 0.000 0.267 308 K C -0.569 176.017 176.600 -0.023 0.000 0.991 308 K CA -0.432 55.831 56.287 -0.040 0.000 0.916 308 K CB 1.629 34.104 32.500 -0.041 0.000 1.041 308 K HN 0.727 nan 8.250 nan 0.000 0.455 309 I N -1.366 119.198 120.570 -0.011 0.000 2.692 309 I HA 0.236 4.406 4.170 0.000 0.000 0.293 309 I C -0.635 175.484 176.117 0.003 0.000 1.200 309 I CA -0.974 60.327 61.300 0.002 0.000 1.036 309 I CB 1.918 39.926 38.000 0.014 0.000 1.258 309 I HN 0.512 nan 8.210 nan 0.000 0.421 310 N N 4.245 122.948 118.700 0.005 0.000 2.332 310 N HA -0.079 4.661 4.740 0.000 0.000 0.274 310 N C 0.798 176.315 175.510 0.011 0.000 1.351 310 N CA 0.017 53.071 53.050 0.006 0.000 0.875 310 N CB 0.694 39.185 38.487 0.007 0.000 1.140 310 N HN 0.639 nan 8.380 nan 0.000 0.489 311 E N 2.676 122.881 120.200 0.009 0.000 2.265 311 E HA -0.204 4.147 4.350 0.000 0.000 0.196 311 E C 1.294 177.904 176.600 0.017 0.000 0.996 311 E CA 1.097 57.505 56.400 0.013 0.000 0.832 311 E CB 0.132 29.838 29.700 0.009 0.000 0.756 311 E HN 0.603 nan 8.360 nan 0.000 0.491 312 K N 0.205 120.614 120.400 0.015 0.000 2.168 312 K HA -0.035 4.285 4.320 0.000 0.000 0.201 312 K C 2.092 178.706 176.600 0.023 0.000 1.049 312 K CA 1.517 57.815 56.287 0.018 0.000 0.974 312 K CB -0.269 32.239 32.500 0.014 0.000 0.792 312 K HN 0.130 nan 8.250 nan 0.000 0.463 313 T N -3.553 111.014 114.554 0.022 0.000 2.837 313 T HA 0.239 4.589 4.350 0.000 0.000 0.248 313 T C 1.579 176.299 174.700 0.034 0.000 1.033 313 T CA 1.183 63.299 62.100 0.027 0.000 1.150 313 T CB -0.011 68.871 68.868 0.022 0.000 0.865 313 T HN 0.336 nan 8.240 nan 0.000 0.425 314 G N 1.218 110.037 108.800 0.032 0.000 2.336 314 G HA2 -0.110 3.851 3.960 0.000 0.000 0.194 314 G HA3 -0.110 3.851 3.960 0.000 0.000 0.194 314 G C 0.054 174.978 174.900 0.040 0.000 0.999 314 G CA -0.143 44.981 45.100 0.040 0.000 0.669 314 G HN 0.714 nan 8.290 nan 0.000 0.482 315 K N 0.459 120.879 120.400 0.033 0.000 2.440 315 K HA 0.404 4.724 4.320 0.000 0.000 0.270 315 K C -0.066 176.548 176.600 0.024 0.000 0.980 315 K CA 0.343 56.647 56.287 0.029 0.000 0.953 315 K CB 0.994 33.502 32.500 0.014 0.000 0.925 315 K HN 0.274 nan 8.250 nan 0.000 0.497 316 I N 3.628 124.214 120.570 0.026 0.000 2.354 316 I HA 0.179 4.349 4.170 0.000 0.000 0.286 316 I C -2.207 173.917 176.117 0.011 0.000 1.007 316 I CA -2.604 58.709 61.300 0.023 0.000 1.167 316 I CB 1.448 39.473 38.000 0.042 0.000 1.320 316 I HN 0.244 nan 8.210 nan 0.000 0.458 317 P HA 0.129 nan 4.420 nan 0.000 0.268 317 P C -0.592 176.706 177.300 -0.003 0.000 1.208 317 P CA 0.027 63.122 63.100 -0.008 0.000 0.777 317 P CB 1.124 32.816 31.700 -0.014 0.000 0.875 318 V N 0.898 120.814 119.914 0.003 0.000 3.232 318 V HA 0.387 4.507 4.120 0.000 0.000 0.303 318 V C -0.128 175.980 176.094 0.024 0.000 1.311 318 V CA -0.487 61.823 62.300 0.017 0.000 1.061 318 V CB 2.409 34.266 31.823 0.057 0.000 1.085 318 V HN 0.635 nan 8.190 nan 0.000 0.447 319 T N 0.183 114.756 114.554 0.031 0.000 2.729 319 T HA 0.197 4.547 4.350 0.000 0.000 0.298 319 T C 0.404 175.156 174.700 0.086 0.000 1.013 319 T CA 0.167 62.292 62.100 0.041 0.000 0.957 319 T CB 0.176 69.060 68.868 0.027 0.000 1.130 319 T HN 0.852 nan 8.240 nan 0.000 0.526 320 D N -1.050 119.400 120.400 0.083 0.000 2.413 320 D HA 0.053 4.694 4.640 0.000 0.000 0.237 320 D C 0.645 177.008 176.300 0.106 0.000 1.171 320 D CA 0.006 54.071 54.000 0.109 0.000 0.839 320 D CB 0.073 40.921 40.800 0.080 0.000 0.950 320 D HN 0.711 nan 8.370 nan 0.000 0.499 321 E N 0.232 120.508 120.200 0.126 0.000 2.702 321 E HA 0.047 4.397 4.350 0.000 0.000 0.225 321 E C -0.238 176.514 176.600 0.252 0.000 0.942 321 E CA -0.031 56.459 56.400 0.152 0.000 1.210 321 E CB 0.343 30.127 29.700 0.139 0.000 1.143 321 E HN -0.009 nan 8.360 nan 0.000 0.544 322 E N 0.240 120.580 120.200 0.234 0.000 3.286 322 E HA -0.266 4.084 4.350 0.000 0.000 0.292 322 E C -0.374 176.462 176.600 0.392 0.000 0.928 322 E CA 1.102 57.681 56.400 0.298 0.000 0.982 322 E CB -1.346 28.531 29.700 0.295 0.000 1.500 322 E HN 0.466 nan 8.360 nan 0.000 0.441 323 Q N 1.023 120.908 119.800 0.142 0.000 2.278 323 Q HA 0.397 4.737 4.340 0.000 0.000 0.257 323 Q C 0.062 175.938 176.000 -0.207 0.000 0.928 323 Q CA -0.073 55.505 55.803 -0.375 0.000 0.932 323 Q CB 1.000 29.426 28.738 -0.520 0.000 1.221 323 Q HN 0.162 nan 8.270 nan 0.000 0.434 324 T N 1.559 115.974 114.554 -0.233 0.000 2.753 324 T HA 0.032 4.382 4.350 0.000 0.000 0.309 324 T C 1.132 175.731 174.700 -0.168 0.000 1.043 324 T CA 0.067 62.083 62.100 -0.139 0.000 0.964 324 T CB 0.093 68.901 68.868 -0.100 0.000 1.206 324 T HN 0.842 nan 8.240 nan 0.000 0.528 325 N N -0.562 118.057 118.700 -0.134 0.000 2.205 325 N HA -0.086 4.654 4.740 0.000 0.000 0.186 325 N C 0.162 175.559 175.510 -0.189 0.000 1.015 325 N CA 0.473 53.442 53.050 -0.135 0.000 0.862 325 N CB -0.472 37.951 38.487 -0.107 0.000 0.986 325 N HN 0.308 nan 8.380 nan 0.000 0.429 326 V N 1.881 121.648 119.914 -0.245 0.000 2.353 326 V HA 0.173 4.293 4.120 0.000 0.000 0.264 326 V C -1.441 174.379 176.094 -0.457 0.000 1.049 326 V CA -1.354 60.725 62.300 -0.368 0.000 0.896 326 V CB 1.028 32.606 31.823 -0.408 0.000 1.025 326 V HN 0.034 nan 8.190 nan 0.000 0.475 327 P HA -0.191 nan 4.420 nan 0.000 0.221 327 P C 0.441 177.608 177.300 -0.222 0.000 1.140 327 P CA 1.637 64.546 63.100 -0.317 0.000 0.797 327 P CB -0.136 31.440 31.700 -0.206 0.000 0.756 328 Y N -4.300 115.978 120.300 -0.038 0.000 2.675 328 Y HA 0.477 5.027 4.550 0.001 0.000 0.248 328 Y C 0.209 176.189 175.900 0.135 0.000 1.161 328 Y CA -1.813 56.333 58.100 0.076 0.000 1.203 328 Y CB -0.793 37.768 38.460 0.167 0.000 1.262 328 Y HN -0.201 nan 8.280 nan 0.000 0.544 329 I N 1.321 121.974 120.570 0.139 0.000 2.441 329 I HA 0.431 4.601 4.170 0.000 0.000 0.295 329 I C -1.187 174.900 176.117 -0.050 0.000 0.994 329 I CA -0.933 60.489 61.300 0.202 0.000 1.144 329 I CB 1.637 39.652 38.000 0.025 0.000 1.314 329 I HN -0.066 nan 8.210 nan 0.000 0.445 330 Y N 3.230 123.642 120.300 0.188 0.000 2.609 330 Y HA 0.791 5.341 4.550 0.000 0.000 0.342 330 Y C -0.030 175.956 175.900 0.143 0.000 1.058 330 Y CA -0.874 57.304 58.100 0.132 0.000 1.055 330 Y CB 2.057 40.590 38.460 0.121 0.000 1.292 330 Y HN 0.553 nan 8.280 nan 0.000 0.476 331 A N 1.634 124.628 122.820 0.290 0.000 2.498 331 A HA 0.915 5.236 4.320 0.000 0.000 0.298 331 A C -1.573 176.124 177.584 0.188 0.000 1.075 331 A CA -0.605 51.557 52.037 0.208 0.000 0.714 331 A CB 1.377 20.465 19.000 0.148 0.000 1.299 331 A HN 0.661 nan 8.150 nan 0.000 0.407 332 I N 0.274 120.939 120.570 0.157 0.000 2.918 332 I HA 0.622 4.792 4.170 0.000 0.000 0.301 332 I C 0.599 176.790 176.117 0.125 0.000 1.312 332 I CA 0.372 61.760 61.300 0.147 0.000 1.007 332 I CB 2.546 40.626 38.000 0.134 0.000 1.281 332 I HN 1.522 nan 8.210 nan 0.000 0.440 333 G N 3.929 112.806 108.800 0.128 0.000 2.484 333 G HA2 -0.215 3.745 3.960 0.000 0.000 0.225 333 G HA3 -0.215 3.745 3.960 0.000 0.000 0.225 333 G C 0.043 174.997 174.900 0.090 0.000 1.250 333 G CA 0.250 45.417 45.100 0.111 0.000 0.926 333 G HN 0.570 nan 8.290 nan 0.000 0.581 334 D N 0.170 120.622 120.400 0.088 0.000 2.182 334 D HA -0.036 4.604 4.640 0.000 0.000 0.201 334 D C 2.552 178.892 176.300 0.065 0.000 0.986 334 D CA 1.394 55.441 54.000 0.078 0.000 0.847 334 D CB -0.152 40.703 40.800 0.092 0.000 0.942 334 D HN 0.465 nan 8.370 nan 0.000 0.467 335 I N 0.523 121.138 120.570 0.075 0.000 2.208 335 I HA -0.192 3.978 4.170 0.000 0.000 0.245 335 I C 0.945 177.091 176.117 0.048 0.000 1.097 335 I CA 0.234 61.576 61.300 0.071 0.000 1.363 335 I CB -0.281 37.772 38.000 0.089 0.000 1.051 335 I HN -0.030 nan 8.210 nan 0.000 0.413 336 L N 2.515 123.763 121.223 0.041 0.000 2.615 336 L HA -0.124 4.216 4.340 0.000 0.000 0.284 336 L C 0.964 177.817 176.870 -0.030 0.000 1.237 336 L CA 0.425 55.269 54.840 0.007 0.000 0.905 336 L CB -0.098 41.955 42.059 -0.011 0.000 1.149 336 L HN 0.323 nan 8.230 nan 0.000 0.499 337 E N 3.157 123.339 120.200 -0.030 0.000 2.360 337 E HA 0.107 4.457 4.350 0.000 0.000 0.269 337 E C 0.903 177.458 176.600 -0.076 0.000 1.022 337 E CA 0.466 56.843 56.400 -0.037 0.000 0.887 337 E CB 0.664 30.350 29.700 -0.023 0.000 0.990 337 E HN 0.802 nan 8.360 nan 0.000 0.426 338 G N 3.834 112.591 108.800 -0.071 0.000 2.305 338 G HA2 -0.248 3.712 3.960 0.000 0.000 0.287 338 G HA3 -0.248 3.712 3.960 0.000 0.000 0.287 338 G C 0.001 174.800 174.900 -0.168 0.000 1.036 338 G CA 0.701 45.746 45.100 -0.092 0.000 0.887 338 G HN 0.449 nan 8.290 nan 0.000 0.505 339 K N -1.408 118.875 120.400 -0.194 0.000 2.082 339 K HA 0.718 5.038 4.320 0.000 0.000 0.246 339 K C -0.050 176.451 176.600 -0.165 0.000 1.061 339 K CA -0.911 55.176 56.287 -0.333 0.000 0.952 339 K CB 0.524 32.719 32.500 -0.508 0.000 1.513 339 K HN 0.022 nan 8.250 nan 0.000 0.631 340 L N 2.569 123.726 121.223 -0.110 0.000 2.298 340 L HA 0.294 4.634 4.340 0.000 0.000 0.284 340 L C 0.038 176.931 176.870 0.037 0.000 1.013 340 L CA -0.039 54.798 54.840 -0.005 0.000 0.824 340 L CB 0.891 42.989 42.059 0.066 0.000 1.221 340 L HN 0.561 nan 8.230 nan 0.000 0.418 341 E N 5.407 125.632 120.200 0.042 0.000 2.127 341 E HA 0.184 4.534 4.350 0.000 0.000 0.295 341 E C -0.667 175.992 176.600 0.098 0.000 1.155 341 E CA 0.092 56.542 56.400 0.083 0.000 1.201 341 E CB 0.012 29.779 29.700 0.113 0.000 1.083 341 E HN 0.400 nan 8.360 nan 0.000 0.472 342 L N 1.092 122.371 121.223 0.094 0.000 2.438 342 L HA 0.168 4.508 4.340 0.000 0.000 0.270 342 L C 1.310 178.236 176.870 0.093 0.000 0.972 342 L CA -0.534 54.361 54.840 0.092 0.000 0.831 342 L CB 2.073 44.176 42.059 0.072 0.000 1.273 342 L HN 0.213 nan 8.230 nan 0.000 0.405 343 T N 2.011 116.620 114.554 0.091 0.000 2.597 343 T HA -0.130 4.220 4.350 0.000 0.000 0.267 343 T C -1.038 173.703 174.700 0.068 0.000 1.053 343 T CA 1.805 63.952 62.100 0.078 0.000 1.165 343 T CB -0.727 68.185 68.868 0.073 0.000 0.863 343 T HN 0.488 nan 8.240 nan 0.000 0.427 344 P HA -0.055 nan 4.420 nan 0.000 0.216 344 P C 1.674 179.001 177.300 0.045 0.000 1.150 344 P CA 0.692 63.820 63.100 0.046 0.000 0.843 344 P CB -0.308 31.415 31.700 0.037 0.000 0.787 345 V N 0.507 120.460 119.914 0.065 0.000 2.223 345 V HA -0.287 3.833 4.120 0.000 0.000 0.244 345 V C 2.555 178.704 176.094 0.092 0.000 1.045 345 V CA 2.402 64.754 62.300 0.086 0.000 1.000 345 V CB -1.875 30.038 31.823 0.149 0.000 0.635 345 V HN 0.114 nan 8.190 nan 0.000 0.445 346 A N 0.394 123.278 122.820 0.106 0.000 1.881 346 A HA -0.327 3.993 4.320 0.000 0.000 0.219 346 A C 2.262 179.887 177.584 0.068 0.000 1.215 346 A CA 2.713 54.809 52.037 0.099 0.000 0.648 346 A CB -0.839 18.213 19.000 0.088 0.000 0.832 346 A HN 0.650 nan 8.150 nan 0.000 0.455 347 I N -1.674 118.928 120.570 0.053 0.000 2.151 347 I HA -0.330 3.841 4.170 0.000 0.000 0.243 347 I C 2.397 178.529 176.117 0.026 0.000 1.080 347 I CA 2.385 63.709 61.300 0.040 0.000 1.339 347 I CB -0.332 37.693 38.000 0.042 0.000 1.039 347 I HN 0.312 nan 8.210 nan 0.000 0.409 348 Q N 1.139 120.947 119.800 0.014 0.000 2.062 348 Q HA -0.290 4.050 4.340 0.000 0.000 0.209 348 Q C 2.369 178.355 176.000 -0.024 0.000 0.996 348 Q CA 2.493 58.287 55.803 -0.015 0.000 0.859 348 Q CB -0.850 27.862 28.738 -0.042 0.000 0.920 348 Q HN 0.762 nan 8.270 nan 0.000 0.415 349 A N 0.281 123.095 122.820 -0.010 0.000 1.859 349 A HA -0.174 4.146 4.320 0.000 0.000 0.217 349 A C 2.301 179.893 177.584 0.014 0.000 1.198 349 A CA 2.347 54.387 52.037 0.005 0.000 0.629 349 A CB -1.422 17.632 19.000 0.089 0.000 0.830 349 A HN 0.505 nan 8.150 nan 0.000 0.446 350 G N 0.433 109.251 108.800 0.031 0.000 2.628 350 G HA2 -0.360 3.601 3.960 0.000 0.000 0.217 350 G HA3 -0.360 3.601 3.960 0.000 0.000 0.217 350 G C 1.692 176.601 174.900 0.015 0.000 1.240 350 G CA 1.960 47.075 45.100 0.025 0.000 0.792 350 G HN 0.820 nan 8.290 nan 0.000 0.593 351 R N -0.371 120.140 120.500 0.019 0.000 2.096 351 R HA -0.006 4.334 4.340 0.000 0.000 0.240 351 R C 2.414 178.727 176.300 0.021 0.000 1.139 351 R CA 1.594 57.709 56.100 0.026 0.000 0.952 351 R CB -0.917 29.397 30.300 0.023 0.000 0.854 351 R HN 0.295 nan 8.270 nan 0.000 0.436 352 L N 1.188 122.410 121.223 -0.001 0.000 2.012 352 L HA -0.082 4.258 4.340 0.000 0.000 0.210 352 L C 2.433 179.287 176.870 -0.026 0.000 1.073 352 L CA 1.468 56.300 54.840 -0.013 0.000 0.748 352 L CB -0.896 41.141 42.059 -0.037 0.000 0.891 352 L HN 0.378 nan 8.230 nan 0.000 0.431 353 L N -0.687 120.510 121.223 -0.043 0.000 1.971 353 L HA -0.259 4.081 4.340 0.000 0.000 0.215 353 L C 2.516 179.321 176.870 -0.108 0.000 1.072 353 L CA 2.154 56.932 54.840 -0.105 0.000 0.758 353 L CB -0.596 41.373 42.059 -0.150 0.000 0.889 353 L HN 0.234 nan 8.230 nan 0.000 0.433 354 A N -0.945 121.858 122.820 -0.028 0.000 1.892 354 A HA -0.295 4.025 4.320 0.000 0.000 0.218 354 A C 2.215 179.835 177.584 0.060 0.000 1.188 354 A CA 1.974 54.054 52.037 0.071 0.000 0.631 354 A CB -0.858 18.239 19.000 0.161 0.000 0.822 354 A HN 0.677 nan 8.150 nan 0.000 0.447 355 Q N -0.693 119.147 119.800 0.067 0.000 2.197 355 Q HA -0.210 4.130 4.340 0.000 0.000 0.207 355 Q C 2.274 178.239 176.000 -0.059 0.000 0.984 355 Q CA 1.721 57.558 55.803 0.057 0.000 0.869 355 Q CB -0.294 28.488 28.738 0.073 0.000 0.906 355 Q HN 0.706 nan 8.270 nan 0.000 0.426 356 R N -0.252 120.199 120.500 -0.081 0.000 2.062 356 R HA -0.064 4.276 4.340 0.000 0.000 0.231 356 R C 2.512 178.697 176.300 -0.192 0.000 1.136 356 R CA 0.995 57.028 56.100 -0.113 0.000 0.948 356 R CB -0.212 30.032 30.300 -0.093 0.000 0.845 356 R HN 0.194 nan 8.270 nan 0.000 0.430 357 L N -1.111 119.940 121.223 -0.287 0.000 1.937 357 L HA -0.184 4.156 4.340 0.000 0.000 0.213 357 L C 2.114 178.644 176.870 -0.566 0.000 1.077 357 L CA 1.596 56.129 54.840 -0.512 0.000 0.758 357 L CB -0.822 40.695 42.059 -0.903 0.000 0.888 357 L HN 0.236 nan 8.230 nan 0.000 0.433 358 Y N -0.303 119.852 120.300 -0.242 0.000 2.523 358 Y HA 0.094 4.644 4.550 0.000 0.000 0.279 358 Y C 2.339 177.712 175.900 -0.879 0.000 1.139 358 Y CA 0.440 58.297 58.100 -0.405 0.000 1.296 358 Y CB -0.288 38.014 38.460 -0.264 0.000 1.045 358 Y HN 0.152 nan 8.280 nan 0.000 0.538 359 G N -0.882 107.523 108.800 -0.657 0.000 2.796 359 G HA2 0.296 4.257 3.960 0.000 0.000 0.210 359 G HA3 0.296 4.257 3.960 0.000 0.000 0.210 359 G C 1.187 175.904 174.900 -0.305 0.000 1.146 359 G CA 0.195 44.852 45.100 -0.738 0.000 0.779 359 G HN 0.432 nan 8.290 nan 0.000 0.535 360 G N -0.319 108.346 108.800 -0.225 0.000 2.289 360 G HA2 -0.089 3.871 3.960 0.000 0.000 0.280 360 G HA3 -0.089 3.871 3.960 0.000 0.000 0.280 360 G C 0.090 174.945 174.900 -0.075 0.000 1.089 360 G CA 0.559 45.583 45.100 -0.127 0.000 0.939 360 G HN 0.993 nan 8.290 nan 0.000 0.499 361 S N -1.142 114.516 115.700 -0.070 0.000 2.568 361 S HA 0.792 5.262 4.470 0.000 0.000 0.302 361 S C 1.138 175.717 174.600 -0.035 0.000 1.082 361 S CA 0.587 58.765 58.200 -0.036 0.000 1.009 361 S CB 1.450 64.639 63.200 -0.018 0.000 1.069 361 S HN 1.131 nan 8.310 nan 0.000 0.500 362 T N 0.332 114.873 114.554 -0.022 0.000 3.214 362 T HA 0.326 4.677 4.350 0.000 0.000 0.264 362 T C 0.290 174.981 174.700 -0.015 0.000 1.012 362 T CA -0.311 61.778 62.100 -0.018 0.000 0.901 362 T CB -0.849 68.011 68.868 -0.013 0.000 1.070 362 T HN 0.532 nan 8.240 nan 0.000 0.561 363 V N -0.627 119.277 119.914 -0.018 0.000 2.686 363 V HA 0.683 4.803 4.120 0.000 0.000 0.295 363 V C 0.065 176.143 176.094 -0.027 0.000 1.057 363 V CA -1.117 61.171 62.300 -0.021 0.000 1.012 363 V CB 1.544 33.354 31.823 -0.022 0.000 1.006 363 V HN 0.315 nan 8.190 nan 0.000 0.477 364 K N 2.666 123.046 120.400 -0.034 0.000 2.400 364 K HA 0.506 4.826 4.320 0.000 0.000 0.246 364 K C -0.649 175.894 176.600 -0.096 0.000 0.995 364 K CA -0.488 55.773 56.287 -0.044 0.000 0.840 364 K CB 2.149 34.640 32.500 -0.015 0.000 1.293 364 K HN 1.121 nan 8.250 nan 0.000 0.445 365 C N 2.119 121.320 119.300 -0.166 0.000 2.576 365 C HA 0.349 4.809 4.460 0.000 0.000 0.401 365 C C 0.195 174.932 174.990 -0.422 0.000 1.314 365 C CA -0.526 58.309 59.018 -0.305 0.000 1.855 365 C CB -0.551 26.934 27.740 -0.425 0.000 2.537 365 C HN 0.698 nan 8.230 nan 0.000 0.578 366 D N 3.512 123.742 120.400 -0.284 0.000 2.411 366 D HA 0.175 4.815 4.640 0.000 0.000 0.225 366 D C 0.106 176.308 176.300 -0.164 0.000 1.156 366 D CA -0.221 53.671 54.000 -0.180 0.000 0.874 366 D CB 0.033 40.784 40.800 -0.081 0.000 1.034 366 D HN 0.762 nan 8.370 nan 0.000 0.502 367 Y N 1.373 121.681 120.300 0.014 0.000 2.488 367 Y HA 0.089 4.639 4.550 0.000 0.000 0.319 367 Y C 0.330 176.237 175.900 0.012 0.000 1.212 367 Y CA -0.337 57.770 58.100 0.013 0.000 1.273 367 Y CB 0.254 38.723 38.460 0.016 0.000 1.074 367 Y HN 0.159 nan 8.280 nan 0.000 0.503 368 D N 1.128 121.595 120.400 0.111 0.000 2.232 368 D HA 0.116 4.756 4.640 0.000 0.000 0.242 368 D C -0.211 176.122 176.300 0.055 0.000 1.093 368 D CA -0.119 53.931 54.000 0.083 0.000 0.845 368 D CB 0.376 41.217 40.800 0.067 0.000 1.124 368 D HN 0.188 nan 8.370 nan 0.000 0.467 369 N N 0.911 119.645 118.700 0.056 0.000 2.726 369 N HA -0.144 4.596 4.740 0.000 0.000 0.253 369 N C -0.249 175.268 175.510 0.010 0.000 1.059 369 N CA 0.374 53.444 53.050 0.034 0.000 0.701 369 N CB -1.404 37.100 38.487 0.028 0.000 0.899 369 N HN 0.260 nan 8.380 nan 0.000 0.548 370 V N -1.207 118.720 119.914 0.020 0.000 2.407 370 V HA 0.628 4.748 4.120 0.000 0.000 0.278 370 V C -1.397 174.684 176.094 -0.021 0.000 1.037 370 V CA -1.595 60.707 62.300 0.003 0.000 0.900 370 V CB 1.589 33.432 31.823 0.034 0.000 0.983 370 V HN 0.043 nan 8.190 nan 0.000 0.459 371 P HA 0.331 nan 4.420 nan 0.000 0.272 371 P C -0.299 176.951 177.300 -0.084 0.000 1.223 371 P CA 0.287 63.325 63.100 -0.102 0.000 0.784 371 P CB 1.413 33.031 31.700 -0.137 0.000 0.923 372 T N -0.163 114.318 114.554 -0.123 0.000 2.982 372 T HA 0.459 4.809 4.350 0.000 0.000 0.321 372 T C -1.178 173.365 174.700 -0.262 0.000 1.229 372 T CA -0.315 61.713 62.100 -0.121 0.000 1.044 372 T CB 1.131 69.973 68.868 -0.043 0.000 1.184 372 T HN 0.336 nan 8.240 nan 0.000 0.477 373 T N 2.648 117.026 114.554 -0.294 0.000 2.887 373 T HA 0.641 4.991 4.350 0.000 0.000 0.288 373 T C -0.833 173.508 174.700 -0.599 0.000 1.021 373 T CA -0.572 61.203 62.100 -0.542 0.000 1.000 373 T CB 1.685 70.164 68.868 -0.647 0.000 1.034 373 T HN 0.520 nan 8.240 nan 0.000 0.467 374 V N 3.394 122.933 119.914 -0.625 0.000 2.304 374 V HA 0.300 4.420 4.120 0.000 0.000 0.278 374 V C -0.679 175.224 176.094 -0.318 0.000 1.018 374 V CA -0.687 61.421 62.300 -0.320 0.000 0.814 374 V CB 0.057 31.783 31.823 -0.163 0.000 1.021 374 V HN 0.858 nan 8.190 nan 0.000 0.440 375 F N 3.281 123.208 119.950 -0.037 0.000 2.626 375 F HA 0.157 4.685 4.527 0.000 0.000 0.374 375 F C 1.631 177.261 175.800 -0.284 0.000 1.184 375 F CA -0.338 57.529 58.000 -0.222 0.000 1.339 375 F CB -1.052 37.688 39.000 -0.434 0.000 1.730 375 F HN 0.448 nan 8.300 nan 0.000 0.650 376 T N -1.284 113.296 114.554 0.044 0.000 2.698 376 T HA 0.087 4.437 4.350 0.000 0.000 0.295 376 T C -1.320 173.521 174.700 0.234 0.000 1.007 376 T CA -1.400 60.766 62.100 0.109 0.000 0.980 376 T CB 0.458 69.410 68.868 0.139 0.000 1.036 376 T HN -0.010 nan 8.240 nan 0.000 0.526 377 P HA -0.013 nan 4.420 nan 0.000 0.215 377 P C 0.387 177.916 177.300 0.381 0.000 1.157 377 P CA 0.861 64.152 63.100 0.317 0.000 0.874 377 P CB 0.096 31.864 31.700 0.114 0.000 0.790 378 L N 0.621 122.084 121.223 0.401 0.000 2.264 378 L HA 0.179 4.520 4.340 0.000 0.000 0.287 378 L C 0.249 177.271 176.870 0.253 0.000 1.039 378 L CA -0.495 54.535 54.840 0.316 0.000 0.829 378 L CB 0.347 42.498 42.059 0.152 0.000 1.211 378 L HN 0.003 nan 8.230 nan 0.000 0.427 379 E N 3.172 123.529 120.200 0.262 0.000 2.437 379 E HA -0.065 4.285 4.350 0.000 0.000 0.263 379 E C -1.354 175.341 176.600 0.159 0.000 1.030 379 E CA 0.522 57.018 56.400 0.160 0.000 0.934 379 E CB 0.758 30.553 29.700 0.158 0.000 0.943 379 E HN 0.308 nan 8.360 nan 0.000 0.444 380 Y N 1.116 121.351 120.300 -0.109 0.000 2.326 380 Y HA 0.504 5.054 4.550 0.000 0.000 0.329 380 Y C -0.473 175.320 175.900 -0.178 0.000 0.973 380 Y CA -0.964 57.074 58.100 -0.104 0.000 1.162 380 Y CB 1.337 39.712 38.460 -0.141 0.000 1.147 380 Y HN 0.456 nan 8.280 nan 0.000 0.456 381 G N 3.714 112.271 108.800 -0.405 0.000 2.452 381 G HA2 0.640 4.600 3.960 0.000 0.000 0.324 381 G HA3 0.640 4.600 3.960 0.000 0.000 0.324 381 G C -1.220 173.372 174.900 -0.513 0.000 1.214 381 G CA -0.417 44.393 45.100 -0.484 0.000 0.947 381 G HN 1.197 nan 8.290 nan 0.000 0.478 382 C N -1.067 117.929 119.300 -0.507 0.000 3.288 382 C HA 0.880 5.340 4.460 0.000 0.000 0.318 382 C C -0.735 174.105 174.990 -0.250 0.000 1.356 382 C CA -1.374 57.419 59.018 -0.375 0.000 1.359 382 C CB 1.241 28.670 27.740 -0.517 0.000 1.688 382 C HN 1.232 nan 8.230 nan 0.000 0.467 383 C N 1.815 120.993 119.300 -0.202 0.000 2.989 383 C HA 0.835 5.295 4.460 0.000 0.000 0.397 383 C C 0.452 175.442 174.990 -0.000 0.000 1.022 383 C CA 1.917 60.873 59.018 -0.103 0.000 1.232 383 C CB 0.619 28.252 27.740 -0.180 0.000 1.638 383 C HN 3.108 nan 8.230 nan 0.000 0.534 384 G N 4.754 113.580 108.800 0.044 0.000 2.472 384 G HA2 0.049 4.009 3.960 0.000 0.000 0.205 384 G HA3 0.049 4.009 3.960 0.000 0.000 0.205 384 G C -1.386 173.613 174.900 0.166 0.000 1.270 384 G CA -0.372 44.794 45.100 0.110 0.000 0.974 384 G HN 0.977 nan 8.290 nan 0.000 0.542 385 L N 1.192 122.541 121.223 0.210 0.000 2.418 385 L HA 0.612 4.952 4.340 0.000 0.000 0.265 385 L C 1.696 178.760 176.870 0.323 0.000 1.143 385 L CA 0.474 55.453 54.840 0.231 0.000 0.809 385 L CB 1.050 43.245 42.059 0.226 0.000 1.124 385 L HN 1.267 nan 8.230 nan 0.000 0.456 386 S N 0.982 116.846 115.700 0.273 0.000 2.652 386 S HA 0.176 4.646 4.470 0.000 0.000 0.270 386 S C 1.005 175.667 174.600 0.103 0.000 1.243 386 S CA -0.276 58.074 58.200 0.251 0.000 0.999 386 S CB 1.186 64.527 63.200 0.235 0.000 0.973 386 S HN 0.663 nan 8.310 nan 0.000 0.544 387 E N 0.950 121.139 120.200 -0.017 0.000 2.023 387 E HA -0.230 4.120 4.350 0.000 0.000 0.196 387 E C 1.999 178.616 176.600 0.028 0.000 1.003 387 E CA 1.833 58.220 56.400 -0.022 0.000 0.809 387 E CB -0.250 29.405 29.700 -0.076 0.000 0.755 387 E HN 0.844 nan 8.360 nan 0.000 0.449 388 E N 0.971 121.187 120.200 0.027 0.000 2.038 388 E HA -0.257 4.093 4.350 0.000 0.000 0.195 388 E C 1.996 178.632 176.600 0.060 0.000 1.000 388 E CA 1.161 57.583 56.400 0.036 0.000 0.803 388 E CB -0.521 29.197 29.700 0.030 0.000 0.750 388 E HN 0.189 nan 8.360 nan 0.000 0.448 389 K N 0.568 121.015 120.400 0.078 0.000 2.280 389 K HA -0.010 4.310 4.320 0.000 0.000 0.202 389 K C 2.097 178.775 176.600 0.129 0.000 1.047 389 K CA 0.909 57.249 56.287 0.089 0.000 0.942 389 K CB -0.079 32.478 32.500 0.094 0.000 0.739 389 K HN 0.217 nan 8.250 nan 0.000 0.457 390 A N 0.753 123.667 122.820 0.158 0.000 1.898 390 A HA -0.098 4.223 4.320 0.000 0.000 0.214 390 A C 2.196 179.939 177.584 0.266 0.000 1.183 390 A CA 1.411 53.601 52.037 0.255 0.000 0.622 390 A CB -0.523 18.584 19.000 0.178 0.000 0.824 390 A HN 0.211 nan 8.150 nan 0.000 0.444 391 V N -1.618 118.383 119.914 0.146 0.000 2.453 391 V HA -0.194 3.926 4.120 0.000 0.000 0.247 391 V C 2.020 178.170 176.094 0.093 0.000 1.048 391 V CA 2.438 64.809 62.300 0.117 0.000 1.049 391 V CB -0.865 30.995 31.823 0.061 0.000 0.672 391 V HN 0.628 nan 8.190 nan 0.000 0.457 392 E N 0.806 121.045 120.200 0.066 0.000 2.049 392 E HA -0.332 4.018 4.350 0.000 0.000 0.198 392 E C 2.269 178.863 176.600 -0.010 0.000 1.007 392 E CA 2.181 58.596 56.400 0.026 0.000 0.809 392 E CB -0.141 29.570 29.700 0.019 0.000 0.749 392 E HN 0.742 nan 8.360 nan 0.000 0.450 393 K N -0.574 119.813 120.400 -0.021 0.000 1.985 393 K HA -0.133 4.187 4.320 0.000 0.000 0.210 393 K C 1.664 178.063 176.600 -0.335 0.000 1.047 393 K CA 1.843 57.986 56.287 -0.241 0.000 0.932 393 K CB -0.167 32.098 32.500 -0.393 0.000 0.716 393 K HN 0.084 nan 8.250 nan 0.000 0.439 394 F N -0.180 119.783 119.950 0.021 0.000 2.749 394 F HA 0.334 4.861 4.527 0.000 0.000 0.300 394 F C 0.492 176.301 175.800 0.015 0.000 1.103 394 F CA 0.281 58.293 58.000 0.020 0.000 1.342 394 F CB 1.063 40.078 39.000 0.025 0.000 1.098 394 F HN 0.248 nan 8.300 nan 0.000 0.586 395 G N 1.630 110.527 108.800 0.162 0.000 3.436 395 G HA2 -0.189 3.771 3.960 0.000 0.000 0.685 395 G HA3 -0.189 3.771 3.960 0.000 0.000 0.685 395 G C 0.519 175.470 174.900 0.085 0.000 1.039 395 G CA -0.089 45.068 45.100 0.095 0.000 0.879 395 G HN 0.094 nan 8.290 nan 0.000 0.478 396 E N 1.327 121.562 120.200 0.058 0.000 2.332 396 E HA -0.317 4.033 4.350 0.000 0.000 0.243 396 E C 2.269 178.886 176.600 0.029 0.000 1.088 396 E CA 2.453 58.874 56.400 0.036 0.000 1.048 396 E CB -0.136 29.576 29.700 0.019 0.000 0.911 396 E HN 0.947 nan 8.360 nan 0.000 0.487 397 E N -0.434 119.782 120.200 0.028 0.000 2.510 397 E HA -0.133 4.217 4.350 0.000 0.000 0.202 397 E C 0.899 177.515 176.600 0.026 0.000 1.072 397 E CA 0.665 57.076 56.400 0.019 0.000 0.883 397 E CB -0.289 29.420 29.700 0.015 0.000 0.818 397 E HN 0.261 nan 8.360 nan 0.000 0.548 398 N N 0.377 119.104 118.700 0.046 0.000 2.184 398 N HA 0.121 4.861 4.740 0.000 0.000 0.206 398 N C -0.382 175.142 175.510 0.022 0.000 1.151 398 N CA -0.113 52.965 53.050 0.047 0.000 0.878 398 N CB 0.735 39.277 38.487 0.091 0.000 1.014 398 N HN 0.099 nan 8.380 nan 0.000 0.512 399 I N 1.162 121.743 120.570 0.018 0.000 2.412 399 I HA 0.282 4.452 4.170 0.000 0.000 0.296 399 I C 0.111 176.216 176.117 -0.020 0.000 0.987 399 I CA -0.976 60.321 61.300 -0.004 0.000 1.180 399 I CB 1.700 39.707 38.000 0.012 0.000 1.340 399 I HN -0.151 nan 8.210 nan 0.000 0.455 400 E N 4.816 125.008 120.200 -0.014 0.000 2.224 400 E HA 0.601 4.952 4.350 0.000 0.000 0.265 400 E C -1.381 175.212 176.600 -0.013 0.000 0.878 400 E CA -0.594 55.778 56.400 -0.045 0.000 0.759 400 E CB 1.758 31.466 29.700 0.012 0.000 1.164 400 E HN 0.319 nan 8.360 nan 0.000 0.414 401 V N 2.188 122.035 119.914 -0.111 0.000 2.487 401 V HA 0.642 4.763 4.120 0.000 0.000 0.298 401 V C -1.235 174.773 176.094 -0.143 0.000 1.028 401 V CA -0.694 61.571 62.300 -0.058 0.000 0.860 401 V CB 0.822 32.572 31.823 -0.122 0.000 0.991 401 V HN 0.531 nan 8.190 nan 0.000 0.427 402 Y N 5.226 125.476 120.300 -0.084 0.000 2.361 402 Y HA 0.814 5.365 4.550 0.000 0.000 0.332 402 Y C 0.628 176.520 175.900 -0.014 0.000 1.101 402 Y CA -0.025 58.053 58.100 -0.037 0.000 1.137 402 Y CB 1.446 39.881 38.460 -0.042 0.000 1.207 402 Y HN 1.027 nan 8.280 nan 0.000 0.463 403 H N -1.219 117.812 119.070 -0.065 0.000 3.014 403 H HA 0.791 5.348 4.556 0.000 0.000 0.337 403 H C -1.444 173.716 175.328 -0.281 0.000 1.320 403 H CA -1.147 54.739 56.048 -0.271 0.000 1.128 403 H CB 2.000 31.593 29.762 -0.283 0.000 1.862 403 H HN 0.547 nan 8.280 nan 0.000 0.536 404 S N 1.198 116.567 115.700 -0.551 0.000 2.567 404 S HA 0.473 4.943 4.470 0.000 0.000 0.270 404 S C -1.730 172.622 174.600 -0.412 0.000 1.152 404 S CA -0.840 57.115 58.200 -0.409 0.000 0.835 404 S CB 1.189 64.270 63.200 -0.198 0.000 1.115 404 S HN 0.416 nan 8.310 nan 0.000 0.459 405 F N 2.001 121.832 119.950 -0.199 0.000 2.362 405 F HA 0.789 5.317 4.527 0.000 0.000 0.311 405 F C 0.270 176.099 175.800 0.048 0.000 1.161 405 F CA -0.197 57.741 58.000 -0.102 0.000 1.085 405 F CB 0.993 39.937 39.000 -0.093 0.000 1.311 405 F HN 0.667 nan 8.300 nan 0.000 0.524 406 F N -1.108 118.922 119.950 0.134 0.000 2.693 406 F HA 0.491 5.018 4.527 0.000 0.000 0.309 406 F C -2.122 173.795 175.800 0.194 0.000 1.129 406 F CA -1.606 56.452 58.000 0.097 0.000 0.948 406 F CB 0.939 39.926 39.000 -0.022 0.000 1.315 406 F HN 0.365 nan 8.300 nan 0.000 0.447 407 W N 4.466 125.834 121.300 0.114 0.000 2.424 407 W HA 0.670 5.330 4.660 0.000 0.000 0.318 407 W C -2.957 173.547 176.519 -0.025 0.000 1.016 407 W CA -3.384 53.959 57.345 -0.005 0.000 1.268 407 W CB 1.537 31.037 29.460 0.068 0.000 1.297 407 W HN 0.359 nan 8.180 nan 0.000 0.428 408 P HA -0.089 nan 4.420 nan 0.000 0.266 408 P C 1.105 178.194 177.300 -0.353 0.000 1.215 408 P CA -0.097 62.799 63.100 -0.341 0.000 0.763 408 P CB 0.631 31.756 31.700 -0.958 0.000 0.806 409 L N 5.097 126.192 121.223 -0.213 0.000 2.034 409 L HA -0.262 4.079 4.340 0.000 0.000 0.217 409 L C 1.847 178.639 176.870 -0.131 0.000 1.077 409 L CA 2.039 56.758 54.840 -0.201 0.000 0.769 409 L CB -1.111 40.875 42.059 -0.120 0.000 0.890 409 L HN 0.428 nan 8.230 nan 0.000 0.435 410 E N -1.810 118.360 120.200 -0.050 0.000 2.401 410 E HA -0.253 4.097 4.350 0.000 0.000 0.199 410 E C 1.695 178.523 176.600 0.382 0.000 1.023 410 E CA 1.090 57.586 56.400 0.160 0.000 0.859 410 E CB -0.745 29.043 29.700 0.146 0.000 0.780 410 E HN 0.651 nan 8.360 nan 0.000 0.523 411 W N 2.113 123.377 121.300 -0.060 0.000 3.290 411 W HA 0.095 4.755 4.660 0.000 0.000 0.287 411 W C 2.137 178.563 176.519 -0.156 0.000 1.288 411 W CA 0.623 57.963 57.345 -0.007 0.000 1.725 411 W CB -0.805 28.760 29.460 0.174 0.000 1.103 411 W HN 0.169 nan 8.180 nan 0.000 0.670 412 T N -2.379 112.025 114.554 -0.249 0.000 2.668 412 T HA -0.164 4.187 4.350 0.000 0.000 0.262 412 T C 1.924 176.554 174.700 -0.116 0.000 1.045 412 T CA 1.574 63.408 62.100 -0.442 0.000 1.152 412 T CB -0.920 67.612 68.868 -0.560 0.000 0.864 412 T HN -0.130 nan 8.240 nan 0.000 0.419 413 V N 3.330 123.163 119.914 -0.135 0.000 2.324 413 V HA -0.096 4.024 4.120 0.000 0.000 0.250 413 V C -0.272 175.777 176.094 -0.075 0.000 1.060 413 V CA 2.057 64.222 62.300 -0.226 0.000 1.042 413 V CB -1.565 29.834 31.823 -0.707 0.000 0.650 413 V HN 0.489 nan 8.190 nan 0.000 0.450 414 P HA 0.024 nan 4.420 nan 0.000 0.236 414 P C 0.591 177.971 177.300 0.133 0.000 1.177 414 P CA 0.974 64.151 63.100 0.128 0.000 0.773 414 P CB -0.004 31.808 31.700 0.186 0.000 0.878 415 S N 0.367 116.172 115.700 0.176 0.000 3.527 415 S HA -0.203 4.267 4.470 0.000 0.000 0.409 415 S C 0.024 174.804 174.600 0.300 0.000 0.900 415 S CA 0.461 58.827 58.200 0.276 0.000 1.320 415 S CB -1.643 61.664 63.200 0.178 0.000 0.915 415 S HN 0.561 nan 8.310 nan 0.000 0.575 416 R N 1.139 121.893 120.500 0.424 0.000 2.626 416 R HA 0.639 4.979 4.340 0.000 0.000 0.274 416 R C -0.779 175.735 176.300 0.357 0.000 1.031 416 R CA -0.189 56.074 56.100 0.272 0.000 0.898 416 R CB 0.740 31.087 30.300 0.078 0.000 1.222 416 R HN 0.116 nan 8.270 nan 0.000 0.455 417 D N 0.837 121.342 120.400 0.176 0.000 2.716 417 D HA -0.213 4.427 4.640 0.000 0.000 0.239 417 D C -0.771 175.566 176.300 0.061 0.000 1.125 417 D CA 1.152 55.237 54.000 0.142 0.000 0.681 417 D CB -0.866 39.969 40.800 0.059 0.000 1.070 417 D HN 0.789 nan 8.370 nan 0.000 0.432 418 N N 0.808 119.281 118.700 -0.378 0.000 2.354 418 N HA -0.007 4.733 4.740 0.000 0.000 0.246 418 N C 0.487 175.701 175.510 -0.493 0.000 1.285 418 N CA -0.272 52.129 53.050 -1.082 0.000 0.925 418 N CB 0.383 37.816 38.487 -1.757 0.000 1.174 418 N HN 0.056 nan 8.380 nan 0.000 0.478 419 N N 0.622 119.057 118.700 -0.441 0.000 2.716 419 N HA -0.173 4.567 4.740 0.000 0.000 0.250 419 N C -0.360 175.130 175.510 -0.034 0.000 1.033 419 N CA 0.703 53.576 53.050 -0.295 0.000 0.727 419 N CB -0.319 37.845 38.487 -0.539 0.000 0.950 419 N HN 0.617 nan 8.380 nan 0.000 0.541 420 K N -0.709 119.743 120.400 0.087 0.000 2.353 420 K HA 0.193 4.513 4.320 0.000 0.000 0.206 420 K C 1.059 177.696 176.600 0.062 0.000 1.191 420 K CA 0.262 56.626 56.287 0.128 0.000 0.897 420 K CB -0.244 32.287 32.500 0.052 0.000 1.283 420 K HN 0.227 nan 8.250 nan 0.000 0.477 421 C N 1.892 121.099 119.300 -0.155 0.000 2.775 421 C HA 0.167 4.627 4.460 0.000 0.000 0.391 421 C C 0.344 175.004 174.990 -0.551 0.000 1.295 421 C CA 0.062 58.762 59.018 -0.529 0.000 2.119 421 C CB -0.880 26.052 27.740 -1.348 0.000 2.705 421 C HN 0.471 nan 8.230 nan 0.000 0.710 422 Y N -0.149 119.842 120.300 -0.514 0.000 2.521 422 Y HA 0.558 5.108 4.550 0.000 0.000 0.328 422 Y C -0.760 175.141 175.900 0.003 0.000 1.151 422 Y CA -0.397 57.475 58.100 -0.379 0.000 1.054 422 Y CB 0.680 38.774 38.460 -0.610 0.000 1.338 422 Y HN 0.907 nan 8.280 nan 0.000 0.453 423 A N 5.493 127.905 122.820 -0.679 0.000 2.422 423 A HA 0.807 5.127 4.320 0.000 0.000 0.302 423 A C -1.684 175.464 177.584 -0.727 0.000 1.041 423 A CA -0.741 50.980 52.037 -0.526 0.000 0.708 423 A CB 1.443 19.883 19.000 -0.932 0.000 1.257 423 A HN 0.773 nan 8.150 nan 0.000 0.414 424 K N 0.240 120.489 120.400 -0.252 0.000 2.482 424 K HA 0.866 5.186 4.320 0.000 0.000 0.257 424 K C -1.749 174.857 176.600 0.010 0.000 0.969 424 K CA -0.785 55.446 56.287 -0.094 0.000 0.842 424 K CB 2.427 35.000 32.500 0.122 0.000 1.359 424 K HN 0.427 nan 8.250 nan 0.000 0.441 425 V N 2.609 122.538 119.914 0.026 0.000 2.733 425 V HA 0.429 4.549 4.120 0.000 0.000 0.306 425 V C -1.216 174.927 176.094 0.081 0.000 1.084 425 V CA -0.799 61.525 62.300 0.039 0.000 0.905 425 V CB 1.818 33.639 31.823 -0.004 0.000 1.010 425 V HN 0.852 nan 8.190 nan 0.000 0.424 426 I N 4.722 125.344 120.570 0.086 0.000 2.354 426 I HA 0.679 4.849 4.170 0.000 0.000 0.292 426 I C -0.435 175.706 176.117 0.039 0.000 0.989 426 I CA 0.206 61.543 61.300 0.062 0.000 1.188 426 I CB 0.734 38.762 38.000 0.046 0.000 1.342 426 I HN 0.727 nan 8.210 nan 0.000 0.457 427 C N 5.039 124.361 119.300 0.037 0.000 2.667 427 C HA 0.482 4.942 4.460 0.000 0.000 0.323 427 C C -0.046 174.894 174.990 -0.083 0.000 1.214 427 C CA -0.811 58.200 59.018 -0.012 0.000 1.721 427 C CB 1.355 29.125 27.740 0.049 0.000 2.275 427 C HN 0.748 nan 8.230 nan 0.000 0.491 428 N N 1.688 120.291 118.700 -0.161 0.000 2.645 428 N HA 0.144 4.884 4.740 0.000 0.000 0.233 428 N C 0.724 176.172 175.510 -0.103 0.000 1.058 428 N CA -0.453 52.448 53.050 -0.248 0.000 0.942 428 N CB 0.246 38.463 38.487 -0.450 0.000 1.210 428 N HN 0.536 nan 8.380 nan 0.000 0.512 429 L N 2.878 124.073 121.223 -0.047 0.000 2.137 429 L HA -0.153 4.187 4.340 0.000 0.000 0.213 429 L C 1.637 178.509 176.870 0.002 0.000 1.085 429 L CA 1.626 56.464 54.840 -0.004 0.000 0.760 429 L CB -0.474 41.590 42.059 0.009 0.000 0.893 429 L HN 0.577 nan 8.230 nan 0.000 0.434 430 K N -0.969 119.434 120.400 0.005 0.000 2.476 430 K HA 0.003 4.323 4.320 0.000 0.000 0.196 430 K C 0.049 176.663 176.600 0.023 0.000 1.025 430 K CA 0.141 56.445 56.287 0.029 0.000 1.138 430 K CB 0.182 32.720 32.500 0.063 0.000 0.860 430 K HN 0.094 nan 8.250 nan 0.000 0.515 431 D N 0.374 120.771 120.400 -0.005 0.000 2.992 431 D HA 0.088 4.728 4.640 0.000 0.000 0.372 431 D C -0.650 175.643 176.300 -0.012 0.000 1.374 431 D CA -0.163 53.834 54.000 -0.005 0.000 0.769 431 D CB -0.323 40.464 40.800 -0.022 0.000 1.215 431 D HN -0.008 nan 8.370 nan 0.000 0.473 432 N N 1.580 120.279 118.700 -0.002 0.000 2.741 432 N HA -0.222 4.519 4.740 0.000 0.000 0.251 432 N C -0.475 175.031 175.510 -0.007 0.000 1.112 432 N CA 1.242 54.291 53.050 -0.000 0.000 0.750 432 N CB -0.744 37.743 38.487 0.000 0.000 1.119 432 N HN 0.626 nan 8.380 nan 0.000 0.561 433 E N -1.718 118.474 120.200 -0.013 0.000 2.868 433 E HA -0.270 4.080 4.350 0.000 0.000 0.278 433 E C 0.242 176.823 176.600 -0.032 0.000 1.009 433 E CA 0.735 57.130 56.400 -0.009 0.000 0.856 433 E CB -0.926 28.785 29.700 0.019 0.000 1.428 433 E HN 0.486 nan 8.360 nan 0.000 0.423 434 R N 0.559 121.031 120.500 -0.048 0.000 2.538 434 R HA 0.007 4.347 4.340 0.000 0.000 0.273 434 R C -0.089 176.183 176.300 -0.046 0.000 0.967 434 R CA 0.363 56.437 56.100 -0.044 0.000 1.101 434 R CB 0.525 30.792 30.300 -0.055 0.000 0.908 434 R HN -0.031 nan 8.270 nan 0.000 0.411 435 V N 7.082 126.990 119.914 -0.010 0.000 2.387 435 V HA 0.030 4.150 4.120 0.000 0.000 0.260 435 V C 1.007 177.121 176.094 0.033 0.000 1.054 435 V CA 0.032 62.343 62.300 0.018 0.000 0.967 435 V CB 0.799 32.656 31.823 0.056 0.000 1.036 435 V HN 0.782 nan 8.190 nan 0.000 0.481 436 V N 1.658 121.581 119.914 0.016 0.000 3.427 436 V HA 0.655 4.775 4.120 0.000 0.000 0.305 436 V C 0.722 176.890 176.094 0.124 0.000 1.412 436 V CA 0.447 62.773 62.300 0.043 0.000 1.086 436 V CB 0.213 32.012 31.823 -0.039 0.000 0.964 436 V HN 0.754 nan 8.190 nan 0.000 0.439 437 G N -0.082 108.815 108.800 0.161 0.000 2.638 437 G HA2 0.634 4.594 3.960 0.000 0.000 0.302 437 G HA3 0.634 4.594 3.960 0.000 0.000 0.302 437 G C -2.009 173.098 174.900 0.345 0.000 1.365 437 G CA -0.654 44.625 45.100 0.297 0.000 0.987 437 G HN 0.151 nan 8.290 nan 0.000 0.495 438 F N 2.162 122.194 119.950 0.138 0.000 2.579 438 F HA 0.651 5.178 4.527 0.000 0.000 0.325 438 F C -1.279 174.444 175.800 -0.129 0.000 1.162 438 F CA -0.915 57.102 58.000 0.027 0.000 0.946 438 F CB 1.795 40.689 39.000 -0.176 0.000 1.211 438 F HN 0.500 nan 8.300 nan 0.000 0.447 439 H N 4.012 123.135 119.070 0.088 0.000 2.782 439 H HA 0.691 5.248 4.556 0.000 0.000 0.347 439 H C -1.323 174.206 175.328 0.336 0.000 1.038 439 H CA -0.999 55.239 56.048 0.316 0.000 1.255 439 H CB 2.099 32.071 29.762 0.350 0.000 1.623 439 H HN 0.501 nan 8.280 nan 0.000 0.525 440 V N 4.353 124.585 119.914 0.529 0.000 2.760 440 V HA 0.504 4.625 4.120 0.000 0.000 0.309 440 V C -1.676 174.714 176.094 0.494 0.000 1.077 440 V CA -0.834 61.772 62.300 0.511 0.000 0.910 440 V CB 1.823 33.972 31.823 0.542 0.000 1.008 440 V HN 0.593 nan 8.190 nan 0.000 0.424 441 L N 7.404 128.884 121.223 0.428 0.000 2.445 441 L HA 0.999 5.339 4.340 0.000 0.000 0.252 441 L C -0.039 176.969 176.870 0.230 0.000 1.105 441 L CA 0.693 55.716 54.840 0.304 0.000 0.943 441 L CB 0.290 42.444 42.059 0.158 0.000 1.277 441 L HN 0.957 nan 8.230 nan 0.000 0.465 442 G N 3.052 112.026 108.800 0.290 0.000 2.682 442 G HA2 0.565 4.526 3.960 0.000 0.000 0.303 442 G HA3 0.565 4.526 3.960 0.000 0.000 0.303 442 G C -3.329 171.733 174.900 0.270 0.000 1.341 442 G CA -0.979 44.279 45.100 0.263 0.000 0.784 442 G HN 0.221 nan 8.290 nan 0.000 0.497 443 P HA 0.165 nan 4.420 nan 0.000 0.269 443 P C 0.074 177.505 177.300 0.218 0.000 1.209 443 P CA 0.254 63.511 63.100 0.261 0.000 0.776 443 P CB 0.176 31.997 31.700 0.202 0.000 0.876 444 N N 0.002 118.838 118.700 0.227 0.000 2.693 444 N HA -0.317 4.423 4.740 0.000 0.000 0.249 444 N C 1.071 176.679 175.510 0.163 0.000 1.119 444 N CA 0.161 53.326 53.050 0.192 0.000 0.717 444 N CB -0.998 37.576 38.487 0.144 0.000 1.071 444 N HN 0.488 nan 8.380 nan 0.000 0.555 445 A N 0.610 123.525 122.820 0.159 0.000 1.893 445 A HA -0.283 4.037 4.320 0.000 0.000 0.222 445 A C 2.443 180.055 177.584 0.047 0.000 1.309 445 A CA 2.549 54.649 52.037 0.105 0.000 0.681 445 A CB -1.524 17.484 19.000 0.014 0.000 0.842 445 A HN 0.624 nan 8.150 nan 0.000 0.468 446 G N -0.899 107.907 108.800 0.009 0.000 2.476 446 G HA2 -0.270 3.691 3.960 0.000 0.000 0.218 446 G HA3 -0.270 3.691 3.960 0.000 0.000 0.218 446 G C 1.314 176.237 174.900 0.038 0.000 1.164 446 G CA 1.207 46.315 45.100 0.014 0.000 0.768 446 G HN 0.580 nan 8.290 nan 0.000 0.560 447 E N 0.424 120.670 120.200 0.078 0.000 2.118 447 E HA -0.137 4.213 4.350 0.000 0.000 0.195 447 E C 2.954 179.576 176.600 0.037 0.000 0.992 447 E CA 1.482 57.913 56.400 0.051 0.000 0.804 447 E CB -0.711 29.027 29.700 0.064 0.000 0.741 447 E HN 0.548 nan 8.360 nan 0.000 0.458 448 V N -0.939 119.019 119.914 0.073 0.000 2.407 448 V HA -0.106 4.014 4.120 0.000 0.000 0.245 448 V C 2.145 178.274 176.094 0.058 0.000 1.041 448 V CA 1.820 64.190 62.300 0.115 0.000 1.040 448 V CB -0.984 30.965 31.823 0.210 0.000 0.671 448 V HN 0.036 nan 8.190 nan 0.000 0.455 449 T N 0.233 114.763 114.554 -0.040 0.000 2.652 449 T HA -0.269 4.081 4.350 0.000 0.000 0.267 449 T C 1.827 176.344 174.700 -0.304 0.000 1.039 449 T CA 2.407 64.335 62.100 -0.287 0.000 1.153 449 T CB -0.442 68.277 68.868 -0.249 0.000 0.863 449 T HN 0.589 nan 8.240 nan 0.000 0.428 450 Q N 1.024 120.718 119.800 -0.177 0.000 2.007 450 Q HA -0.193 4.147 4.340 0.000 0.000 0.214 450 Q C 2.416 178.298 176.000 -0.197 0.000 1.031 450 Q CA 2.585 58.294 55.803 -0.157 0.000 0.886 450 Q CB -1.289 27.392 28.738 -0.095 0.000 0.992 450 Q HN 0.549 nan 8.270 nan 0.000 0.415 451 G N -1.504 107.172 108.800 -0.207 0.000 2.469 451 G HA2 -0.258 3.703 3.960 0.000 0.000 0.220 451 G HA3 -0.258 3.703 3.960 0.000 0.000 0.220 451 G C 1.184 175.856 174.900 -0.381 0.000 1.136 451 G CA 0.988 45.915 45.100 -0.288 0.000 0.759 451 G HN 0.388 nan 8.290 nan 0.000 0.562 452 F N 1.574 121.286 119.950 -0.396 0.000 2.146 452 F HA 0.131 4.658 4.527 0.000 0.000 0.298 452 F C 3.016 178.576 175.800 -0.401 0.000 1.096 452 F CA 0.782 58.505 58.000 -0.461 0.000 1.275 452 F CB -0.411 38.046 39.000 -0.905 0.000 1.008 452 F HN 0.225 nan 8.300 nan 0.000 0.480 453 A N 0.126 122.777 122.820 -0.282 0.000 2.032 453 A HA -0.197 4.123 4.320 0.000 0.000 0.221 453 A C 2.395 179.907 177.584 -0.120 0.000 1.165 453 A CA 1.878 53.797 52.037 -0.197 0.000 0.645 453 A CB -1.245 17.641 19.000 -0.190 0.000 0.807 453 A HN 0.340 nan 8.150 nan 0.000 0.453 454 A N -0.150 122.589 122.820 -0.134 0.000 1.855 454 A HA 0.178 4.498 4.320 0.000 0.000 0.215 454 A C 2.563 180.100 177.584 -0.079 0.000 1.191 454 A CA 2.138 54.112 52.037 -0.106 0.000 0.613 454 A CB -1.235 17.687 19.000 -0.129 0.000 0.829 454 A HN 1.165 nan 8.150 nan 0.000 0.442 455 A N 0.156 122.923 122.820 -0.087 0.000 1.884 455 A HA -0.201 4.120 4.320 0.000 0.000 0.219 455 A C 2.157 179.743 177.584 0.004 0.000 1.197 455 A CA 1.822 53.841 52.037 -0.031 0.000 0.637 455 A CB -0.948 18.071 19.000 0.032 0.000 0.827 455 A HN 0.518 nan 8.150 nan 0.000 0.450 456 L N -0.909 120.323 121.223 0.016 0.000 2.089 456 L HA -0.234 4.106 4.340 0.000 0.000 0.213 456 L C 2.193 179.068 176.870 0.010 0.000 1.079 456 L CA 1.669 56.525 54.840 0.026 0.000 0.758 456 L CB -0.634 41.437 42.059 0.020 0.000 0.891 456 L HN 0.331 nan 8.230 nan 0.000 0.433 457 K N -0.501 119.893 120.400 -0.011 0.000 2.555 457 K HA -0.015 4.305 4.320 0.000 0.000 0.193 457 K C 1.318 177.912 176.600 -0.010 0.000 1.032 457 K CA 0.499 56.780 56.287 -0.011 0.000 1.004 457 K CB -0.084 32.402 32.500 -0.024 0.000 0.804 457 K HN 0.427 nan 8.250 nan 0.000 0.496 458 C N -0.028 119.267 119.300 -0.008 0.000 3.104 458 C HA 0.256 4.716 4.460 0.000 0.000 0.284 458 C C 1.080 176.072 174.990 0.003 0.000 1.326 458 C CA -0.217 58.797 59.018 -0.007 0.000 1.725 458 C CB -0.429 27.300 27.740 -0.017 0.000 2.156 458 C HN 0.621 nan 8.230 nan 0.000 0.638 459 G N 1.779 110.586 108.800 0.012 0.000 2.256 459 G HA2 -0.230 3.730 3.960 0.000 0.000 0.272 459 G HA3 -0.230 3.730 3.960 0.000 0.000 0.272 459 G C -0.116 174.795 174.900 0.018 0.000 1.076 459 G CA 0.117 45.227 45.100 0.016 0.000 0.882 459 G HN 0.553 nan 8.290 nan 0.000 0.497 460 L N 1.948 123.187 121.223 0.028 0.000 2.640 460 L HA 0.476 4.816 4.340 0.000 0.000 0.280 460 L C 1.233 178.120 176.870 0.027 0.000 1.229 460 L CA 1.251 56.114 54.840 0.039 0.000 0.919 460 L CB 0.240 42.348 42.059 0.082 0.000 1.168 460 L HN 0.680 nan 8.230 nan 0.000 0.496 461 T N 1.232 115.794 114.554 0.013 0.000 2.948 461 T HA 0.371 4.722 4.350 0.000 0.000 0.285 461 T C 0.834 175.521 174.700 -0.022 0.000 1.019 461 T CA -0.515 61.582 62.100 -0.005 0.000 1.013 461 T CB 1.473 70.336 68.868 -0.007 0.000 1.117 461 T HN 0.567 nan 8.240 nan 0.000 0.533 462 K N 0.267 120.633 120.400 -0.057 0.000 2.148 462 K HA -0.059 4.261 4.320 0.000 0.000 0.204 462 K C 2.299 178.836 176.600 -0.104 0.000 1.050 462 K CA 1.525 57.736 56.287 -0.128 0.000 0.942 462 K CB -0.583 31.778 32.500 -0.233 0.000 0.724 462 K HN 0.757 nan 8.250 nan 0.000 0.446 463 Q N 0.184 119.950 119.800 -0.057 0.000 2.020 463 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 463 Q C 2.074 178.060 176.000 -0.024 0.000 0.982 463 Q CA 1.965 57.746 55.803 -0.035 0.000 0.838 463 Q CB -0.011 28.718 28.738 -0.016 0.000 0.899 463 Q HN 0.469 nan 8.270 nan 0.000 0.423 464 Q N -0.155 119.638 119.800 -0.013 0.000 2.061 464 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 464 Q C 2.186 178.194 176.000 0.013 0.000 0.984 464 Q CA 1.345 57.149 55.803 0.001 0.000 0.846 464 Q CB -0.313 28.430 28.738 0.008 0.000 0.902 464 Q HN 0.327 nan 8.270 nan 0.000 0.421 465 L N 1.825 123.058 121.223 0.018 0.000 1.990 465 L HA -0.237 4.103 4.340 0.000 0.000 0.213 465 L C 1.622 178.511 176.870 0.031 0.000 1.072 465 L CA 2.082 56.956 54.840 0.056 0.000 0.755 465 L CB -0.764 41.319 42.059 0.040 0.000 0.889 465 L HN 0.130 nan 8.230 nan 0.000 0.432 466 D N -0.705 119.683 120.400 -0.020 0.000 2.133 466 D HA -0.190 4.450 4.640 0.000 0.000 0.195 466 D C 2.403 178.702 176.300 -0.002 0.000 0.997 466 D CA 1.695 55.681 54.000 -0.023 0.000 0.840 466 D CB -0.290 40.482 40.800 -0.046 0.000 0.947 466 D HN 0.602 nan 8.370 nan 0.000 0.452 467 S N -0.405 115.294 115.700 -0.002 0.000 2.465 467 S HA -0.092 4.379 4.470 0.000 0.000 0.241 467 S C 0.982 175.587 174.600 0.007 0.000 1.000 467 S CA 0.551 58.752 58.200 0.001 0.000 0.964 467 S CB -0.526 62.673 63.200 -0.001 0.000 0.763 467 S HN 0.039 nan 8.310 nan 0.000 0.512 468 T N 2.527 117.092 114.554 0.020 0.000 2.907 468 T HA 0.495 4.846 4.350 0.000 0.000 0.298 468 T C -0.137 174.578 174.700 0.026 0.000 1.017 468 T CA -0.327 61.788 62.100 0.023 0.000 1.118 468 T CB 0.768 69.664 68.868 0.046 0.000 0.948 468 T HN 0.173 nan 8.240 nan 0.000 0.531 469 I N 1.770 122.350 120.570 0.016 0.000 2.488 469 I HA 0.500 4.670 4.170 0.000 0.000 0.299 469 I C 1.086 177.220 176.117 0.028 0.000 0.984 469 I CA 0.069 61.378 61.300 0.015 0.000 1.250 469 I CB 1.246 39.249 38.000 0.006 0.000 1.389 469 I HN 0.746 nan 8.210 nan 0.000 0.488 470 G N 5.263 114.082 108.800 0.032 0.000 2.522 470 G HA2 0.634 4.594 3.960 0.000 0.000 0.304 470 G HA3 0.634 4.594 3.960 0.000 0.000 0.304 470 G C -0.539 174.392 174.900 0.051 0.000 1.210 470 G CA -0.541 44.590 45.100 0.051 0.000 0.960 470 G HN 0.468 nan 8.290 nan 0.000 0.497 471 I N 0.043 120.651 120.570 0.064 0.000 2.392 471 I HA 0.294 4.465 4.170 0.000 0.000 0.295 471 I C 0.080 176.271 176.117 0.123 0.000 0.985 471 I CA -0.520 60.821 61.300 0.069 0.000 1.221 471 I CB 1.540 39.564 38.000 0.041 0.000 1.366 471 I HN 0.455 nan 8.210 nan 0.000 0.467 472 H N 6.963 126.032 119.070 -0.002 0.000 2.637 472 H HA 0.505 5.061 4.556 0.000 0.000 0.363 472 H C -2.446 172.880 175.328 -0.004 0.000 1.131 472 H CA -1.946 54.099 56.048 -0.004 0.000 1.183 472 H CB 2.530 32.290 29.762 -0.003 0.000 1.637 472 H HN 0.412 nan 8.280 nan 0.000 0.531 473 P HA 0.249 nan 4.420 nan 0.000 0.284 473 P C -1.351 175.876 177.300 -0.122 0.000 1.459 473 P CA -0.443 62.374 63.100 -0.470 0.000 0.982 473 P CB 1.276 32.586 31.700 -0.651 0.000 1.184 474 V N 2.596 122.509 119.914 -0.002 0.000 2.823 474 V HA 0.126 4.246 4.120 0.000 0.000 0.312 474 V C 1.525 177.609 176.094 -0.016 0.000 1.072 474 V CA -0.559 61.738 62.300 -0.006 0.000 0.937 474 V CB 1.608 33.441 31.823 0.017 0.000 1.013 474 V HN 0.581 nan 8.190 nan 0.000 0.430 475 C N 2.114 121.392 119.300 -0.036 0.000 2.413 475 C HA -0.146 4.314 4.460 0.000 0.000 0.276 475 C C 2.855 177.711 174.990 -0.224 0.000 1.248 475 C CA 1.542 60.482 59.018 -0.130 0.000 1.742 475 C CB -1.148 26.573 27.740 -0.031 0.000 2.017 475 C HN 1.052 nan 8.230 nan 0.000 0.481 476 A N 1.451 124.258 122.820 -0.021 0.000 1.986 476 A HA -0.259 4.061 4.320 0.000 0.000 0.220 476 A C 2.097 179.767 177.584 0.143 0.000 1.171 476 A CA 2.048 54.166 52.037 0.134 0.000 0.640 476 A CB -0.794 18.336 19.000 0.217 0.000 0.811 476 A HN 0.848 nan 8.150 nan 0.000 0.451 477 E N 0.547 120.777 120.200 0.050 0.000 2.233 477 E HA -0.258 4.092 4.350 0.000 0.000 0.199 477 E C 1.598 178.179 176.600 -0.031 0.000 1.004 477 E CA 1.750 58.181 56.400 0.053 0.000 0.819 477 E CB -0.918 28.814 29.700 0.052 0.000 0.738 477 E HN 0.657 nan 8.360 nan 0.000 0.478 478 I N 0.274 120.707 120.570 -0.229 0.000 2.248 478 I HA -0.238 3.932 4.170 0.000 0.000 0.248 478 I C 2.045 177.979 176.117 -0.306 0.000 1.107 478 I CA 1.276 62.379 61.300 -0.328 0.000 1.373 478 I CB -1.049 36.609 38.000 -0.569 0.000 1.055 478 I HN -0.039 nan 8.210 nan 0.000 0.418 479 F N 1.400 121.219 119.950 -0.219 0.000 2.287 479 F HA -0.191 4.336 4.527 0.000 0.000 0.301 479 F C 2.542 178.279 175.800 -0.104 0.000 1.069 479 F CA 1.697 59.556 58.000 -0.235 0.000 1.372 479 F CB -1.077 37.702 39.000 -0.369 0.000 1.056 479 F HN 0.295 nan 8.300 nan 0.000 0.523 480 T N -3.795 110.829 114.554 0.118 0.000 3.188 480 T HA 0.067 4.417 4.350 0.000 0.000 0.250 480 T C 0.869 175.575 174.700 0.009 0.000 1.077 480 T CA 0.740 62.891 62.100 0.085 0.000 0.967 480 T CB -0.580 68.346 68.868 0.097 0.000 1.006 480 T HN 0.216 nan 8.240 nan 0.000 0.552 481 T N -0.357 114.178 114.554 -0.033 0.000 3.948 481 T HA 0.396 4.746 4.350 0.000 0.000 0.303 481 T C -0.205 174.465 174.700 -0.050 0.000 0.942 481 T CA -0.652 61.424 62.100 -0.040 0.000 1.028 481 T CB -0.825 68.019 68.868 -0.041 0.000 1.154 481 T HN 0.300 nan 8.240 nan 0.000 0.471 482 L N 2.745 123.928 121.223 -0.066 0.000 2.315 482 L HA 0.460 4.801 4.340 0.000 0.000 0.283 482 L C 1.388 178.329 176.870 0.118 0.000 1.089 482 L CA -0.239 54.587 54.840 -0.024 0.000 0.833 482 L CB 1.052 43.072 42.059 -0.064 0.000 1.170 482 L HN 0.588 nan 8.230 nan 0.000 0.442 483 S N 1.167 116.959 115.700 0.153 0.000 2.619 483 S HA 0.134 4.604 4.470 0.000 0.000 0.238 483 S C 0.414 175.113 174.600 0.165 0.000 1.068 483 S CA -0.322 58.007 58.200 0.215 0.000 0.926 483 S CB 0.391 63.649 63.200 0.097 0.000 0.864 483 S HN 0.220 nan 8.310 nan 0.000 0.493 484 V N 4.303 124.276 119.914 0.099 0.000 2.488 484 V HA 0.479 4.599 4.120 0.000 0.000 0.277 484 V C 0.673 176.781 176.094 0.024 0.000 1.046 484 V CA -0.004 62.324 62.300 0.045 0.000 0.986 484 V CB 0.727 32.581 31.823 0.052 0.000 0.989 484 V HN 0.680 nan 8.190 nan 0.000 0.475 485 T N 1.652 116.138 114.554 -0.115 0.000 2.929 485 T HA 0.416 4.766 4.350 0.000 0.000 0.284 485 T C 0.860 175.487 174.700 -0.122 0.000 1.014 485 T CA -0.789 61.164 62.100 -0.245 0.000 1.051 485 T CB 1.735 70.354 68.868 -0.415 0.000 1.028 485 T HN 0.524 nan 8.240 nan 0.000 0.485 486 K N 0.356 120.601 120.400 -0.258 0.000 2.002 486 K HA -0.133 4.188 4.320 0.000 0.000 0.209 486 K C 2.495 179.033 176.600 -0.103 0.000 1.048 486 K CA 1.468 57.625 56.287 -0.217 0.000 0.930 486 K CB -0.210 32.087 32.500 -0.338 0.000 0.714 486 K HN 0.721 nan 8.250 nan 0.000 0.438 487 R N 0.875 121.300 120.500 -0.125 0.000 2.211 487 R HA -0.075 4.265 4.340 0.000 0.000 0.240 487 R C -0.288 175.976 176.300 -0.060 0.000 1.144 487 R CA 1.441 57.491 56.100 -0.084 0.000 0.992 487 R CB 0.039 30.286 30.300 -0.088 0.000 0.869 487 R HN -0.058 nan 8.270 nan 0.000 0.462 488 S N 0.606 116.268 115.700 -0.063 0.000 2.269 488 S HA 0.289 4.759 4.470 0.000 0.000 0.194 488 S C -0.174 174.420 174.600 -0.011 0.000 1.547 488 S CA -0.376 57.801 58.200 -0.038 0.000 1.186 488 S CB 1.593 64.762 63.200 -0.052 0.000 1.069 488 S HN 0.414 nan 8.310 nan 0.000 0.473 489 G N 2.399 111.202 108.800 0.004 0.000 2.459 489 G HA2 0.281 4.241 3.960 0.000 0.000 0.290 489 G HA3 0.281 4.241 3.960 0.000 0.000 0.290 489 G C 0.584 175.505 174.900 0.036 0.000 0.646 489 G CA -0.018 45.101 45.100 0.032 0.000 2.078 489 G HN 0.708 nan 8.290 nan 0.000 0.508 490 G N 0.905 109.735 108.800 0.050 0.000 2.562 490 G HA2 0.408 4.368 3.960 0.000 0.000 0.275 490 G HA3 0.408 4.368 3.960 0.000 0.000 0.275 490 G C -0.290 174.631 174.900 0.034 0.000 1.196 490 G CA -0.504 44.615 45.100 0.033 0.000 0.908 490 G HN 0.481 nan 8.290 nan 0.000 0.524 491 D N -0.830 119.576 120.400 0.009 0.000 2.345 491 D HA 0.193 4.833 4.640 0.000 0.000 0.247 491 D C 0.987 177.280 176.300 -0.012 0.000 1.108 491 D CA -0.273 53.723 54.000 -0.006 0.000 0.894 491 D CB 0.840 41.627 40.800 -0.020 0.000 1.203 491 D HN 0.128 nan 8.370 nan 0.000 0.430 492 I N 2.208 122.769 120.570 -0.016 0.000 4.154 492 I HA 0.061 4.231 4.170 0.000 0.000 0.334 492 I C -0.101 176.008 176.117 -0.013 0.000 1.371 492 I CA -0.252 61.049 61.300 0.003 0.000 1.110 492 I CB 0.329 38.360 38.000 0.051 0.000 1.085 492 I HN 0.171 nan 8.210 nan 0.000 0.398 493 L N 2.260 123.410 121.223 -0.122 0.000 2.334 493 L HA 0.204 4.545 4.340 0.000 0.000 0.286 493 L C 0.292 177.086 176.870 -0.127 0.000 1.108 493 L CA 0.613 55.315 54.840 -0.231 0.000 0.875 493 L CB -0.052 41.837 42.059 -0.284 0.000 1.246 493 L HN 0.040 nan 8.230 nan 0.000 0.439 494 Q N 1.371 121.122 119.800 -0.082 0.000 2.628 494 Q HA 0.282 4.622 4.340 0.000 0.000 0.397 494 Q C 0.442 176.438 176.000 -0.006 0.000 0.916 494 Q CA -0.097 55.686 55.803 -0.033 0.000 1.071 494 Q CB 0.668 29.405 28.738 -0.001 0.000 1.367 494 Q HN 0.645 nan 8.270 nan 0.000 0.404 495 S N 0.000 115.676 115.700 -0.040 0.000 2.498 495 S HA 0.000 4.470 4.470 0.000 0.000 0.327 495 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 495 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 495 S HN 0.000 nan 8.310 nan 0.000 0.517