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 3ncy_1_B DATA FIRST_RESID 10 DATA SEQUENCE VGLIPVTLMV SGNIMGSGVF LLPANLAATG GIAIYGWLVT IIGALALSMV DATA SEQUENCE YAKMSSLDPS PGGSYAYARR CFGPFLGYQT NVLYWLACWI GNIAMVVIGV DATA SEQUENCE GYLSYFFPIL KDPLVLTLTC VAVLWIFVLL NIVGPKMITR VQAVATVLAL DATA SEQUENCE VPIVGIAVFG WFWFKXXXXX XXWNVSGMNT FGAIQSTLNV TLWSFIGVES DATA SEQUENCE ASVAAGVVKN PKRNVPIATI GGVLIAAVCY VLSTTAIMGM IPNAALRVSA DATA SEQUENCE SPFGDAARMA LGDTAGAIVS FCAAAGCLGS LGGWTLLAGQ TAKAAADDGL DATA SEQUENCE FPPIFARVNK AGXXXXGLLI VGVLMTIFQF SSMSPNAAKE FGLVSSVSVI DATA SEQUENCE FTLVPYLYTC AALLLLGHGH FGKARPLYLL ITFVAFVYCI WAVIGSGAKE DATA SEQUENCE VMWSFVTLMV ITALYALNYN RIHKNPYPLD A 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 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.103 176.094 0.015 0.000 1.182 10 V CA 0.000 62.309 62.300 0.015 0.000 1.235 10 V CB 0.000 31.833 31.823 0.016 0.000 1.184 11 G N 3.736 112.545 108.800 0.015 0.000 2.756 11 G HA2 0.295 4.255 3.960 0.000 0.000 0.203 11 G HA3 0.295 4.255 3.960 0.000 0.000 0.203 11 G C 0.575 175.483 174.900 0.013 0.000 2.015 11 G CA 0.702 45.810 45.100 0.014 0.000 0.835 11 G HN 0.954 nan 8.290 nan 0.000 0.648 12 L N -0.759 120.472 121.223 0.013 0.000 2.347 12 L HA 0.437 4.777 4.340 0.000 0.000 0.196 12 L C 2.428 179.305 176.870 0.011 0.000 1.072 12 L CA 0.718 55.565 54.840 0.012 0.000 0.817 12 L CB -0.462 41.604 42.059 0.012 0.000 1.029 12 L HN 0.226 nan 8.230 nan 0.000 0.478 13 I N 0.762 121.339 120.570 0.012 0.000 2.361 13 I HA -0.095 4.075 4.170 0.000 0.000 0.251 13 I C -0.929 175.196 176.117 0.013 0.000 1.133 13 I CA 1.290 62.598 61.300 0.012 0.000 1.413 13 I CB -0.923 37.085 38.000 0.013 0.000 1.073 13 I HN 0.260 nan 8.210 nan 0.000 0.424 14 P HA 0.021 nan 4.420 nan 0.000 0.227 14 P C 1.896 179.203 177.300 0.011 0.000 1.161 14 P CA 0.783 63.893 63.100 0.016 0.000 0.788 14 P CB 0.165 31.876 31.700 0.018 0.000 0.822 15 V N -0.007 119.911 119.914 0.007 0.000 2.599 15 V HA -0.139 3.981 4.120 0.000 0.000 0.245 15 V C 2.507 178.599 176.094 -0.003 0.000 1.046 15 V CA 2.324 64.623 62.300 -0.001 0.000 1.065 15 V CB -1.945 29.879 31.823 0.001 0.000 0.703 15 V HN 0.230 nan 8.190 nan 0.000 0.464 16 T N -0.947 113.609 114.554 0.003 0.000 2.849 16 T HA -0.143 4.207 4.350 0.000 0.000 0.270 16 T C 1.756 176.458 174.700 0.004 0.000 1.066 16 T CA 1.440 63.542 62.100 0.004 0.000 1.130 16 T CB -0.426 68.446 68.868 0.007 0.000 0.864 16 T HN 0.393 nan 8.240 nan 0.000 0.481 17 L N -0.404 120.823 121.223 0.006 0.000 2.270 17 L HA 0.240 4.580 4.340 0.000 0.000 0.210 17 L C 2.851 179.725 176.870 0.006 0.000 1.104 17 L CA 0.972 55.818 54.840 0.010 0.000 0.804 17 L CB -0.529 41.540 42.059 0.018 0.000 0.937 17 L HN 0.300 nan 8.230 nan 0.000 0.450 18 M N 0.005 119.600 119.600 -0.008 0.000 2.123 18 M HA -0.143 4.337 4.480 0.000 0.000 0.263 18 M C 2.166 178.437 176.300 -0.047 0.000 1.069 18 M CA 1.673 56.954 55.300 -0.033 0.000 1.133 18 M CB 0.026 32.595 32.600 -0.052 0.000 1.356 18 M HN 0.004 nan 8.290 nan 0.000 0.415 19 V N 1.032 120.924 119.914 -0.037 0.000 2.453 19 V HA -0.253 3.867 4.120 0.000 0.000 0.252 19 V C 2.526 178.628 176.094 0.013 0.000 1.068 19 V CA 2.083 64.366 62.300 -0.028 0.000 1.070 19 V CB -1.218 30.597 31.823 -0.012 0.000 0.664 19 V HN 0.765 nan 8.190 nan 0.000 0.461 20 S N 0.223 115.933 115.700 0.017 0.000 2.421 20 S HA 0.062 4.532 4.470 0.000 0.000 0.224 20 S C 2.099 176.725 174.600 0.043 0.000 1.035 20 S CA 0.789 59.007 58.200 0.030 0.000 0.953 20 S CB -0.373 62.832 63.200 0.008 0.000 0.810 20 S HN 0.477 nan 8.310 nan 0.000 0.497 21 G N 2.466 111.287 108.800 0.036 0.000 2.422 21 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 21 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 21 G C 1.262 176.224 174.900 0.104 0.000 1.146 21 G CA 0.777 45.910 45.100 0.056 0.000 0.769 21 G HN 0.542 nan 8.290 nan 0.000 0.547 22 N N 0.329 119.077 118.700 0.080 0.000 2.571 22 N HA 0.084 4.824 4.740 0.000 0.000 0.189 22 N C 1.761 177.478 175.510 0.346 0.000 1.154 22 N CA 0.305 53.473 53.050 0.197 0.000 0.907 22 N CB 0.085 38.442 38.487 -0.216 0.000 0.977 22 N HN 0.460 nan 8.380 nan 0.000 0.449 23 I N -1.102 119.605 120.570 0.229 0.000 3.039 23 I HA 0.103 4.273 4.170 0.000 0.000 0.270 23 I C 0.584 176.836 176.117 0.225 0.000 1.150 23 I CA 0.492 61.938 61.300 0.244 0.000 1.448 23 I CB 0.064 38.175 38.000 0.185 0.000 1.197 23 I HN -0.028 nan 8.210 nan 0.000 0.450 24 M N 1.801 121.506 119.600 0.174 0.000 3.443 24 M HA 0.280 4.760 4.480 0.000 0.000 0.228 24 M C 1.050 177.436 176.300 0.142 0.000 1.227 24 M CA -0.142 55.269 55.300 0.185 0.000 1.321 24 M CB 0.222 32.903 32.600 0.135 0.000 1.134 24 M HN 0.154 nan 8.290 nan 0.000 0.567 25 G N -0.268 108.612 108.800 0.132 0.000 3.088 25 G HA2 0.021 3.981 3.960 0.000 0.000 0.212 25 G HA3 0.021 3.981 3.960 0.000 0.000 0.212 25 G C 0.762 175.676 174.900 0.023 0.000 1.173 25 G CA 0.146 45.282 45.100 0.059 0.000 0.779 25 G HN 0.524 nan 8.290 nan 0.000 0.540 26 S N -1.203 114.553 115.700 0.094 0.000 2.885 26 S HA 0.268 4.738 4.470 0.000 0.000 0.238 26 S C 1.696 176.410 174.600 0.191 0.000 0.766 26 S CA 0.548 58.830 58.200 0.136 0.000 1.089 26 S CB -0.463 62.820 63.200 0.138 0.000 1.396 26 S HN 0.300 nan 8.310 nan 0.000 0.509 27 G N 0.895 109.810 108.800 0.193 0.000 2.448 27 G HA2 -0.021 3.939 3.960 0.000 0.000 0.218 27 G HA3 -0.021 3.939 3.960 0.000 0.000 0.218 27 G C 1.350 176.349 174.900 0.167 0.000 1.135 27 G CA 1.187 46.416 45.100 0.216 0.000 0.784 27 G HN 0.854 nan 8.290 nan 0.000 0.543 28 V N -2.136 117.912 119.914 0.223 0.000 2.649 28 V HA 0.207 4.327 4.120 0.000 0.000 0.248 28 V C 2.284 178.583 176.094 0.341 0.000 1.054 28 V CA 1.318 63.786 62.300 0.280 0.000 1.073 28 V CB -0.645 31.388 31.823 0.350 0.000 0.699 28 V HN 0.236 nan 8.190 nan 0.000 0.463 29 F N 0.204 120.272 119.950 0.196 0.000 2.698 29 F HA 0.320 4.847 4.527 0.000 0.000 0.295 29 F C 1.713 177.558 175.800 0.074 0.000 1.124 29 F CA 0.408 58.516 58.000 0.179 0.000 1.426 29 F CB 0.114 39.239 39.000 0.207 0.000 1.120 29 F HN 0.112 nan 8.300 nan 0.000 0.583 30 L N 1.123 122.275 121.223 -0.120 0.000 2.042 30 L HA -0.209 4.131 4.340 0.000 0.000 0.210 30 L C 2.019 178.673 176.870 -0.359 0.000 1.076 30 L CA 1.951 56.634 54.840 -0.262 0.000 0.749 30 L CB -0.932 41.023 42.059 -0.174 0.000 0.893 30 L HN 0.311 nan 8.230 nan 0.000 0.432 31 L N -0.973 120.077 121.223 -0.289 0.000 1.963 31 L HA -0.211 4.129 4.340 0.000 0.000 0.220 31 L C -0.045 176.663 176.870 -0.269 0.000 1.076 31 L CA 1.555 56.245 54.840 -0.249 0.000 0.772 31 L CB -2.867 39.004 42.059 -0.314 0.000 0.892 31 L HN 0.168 nan 8.230 nan 0.000 0.435 32 P HA -0.220 nan 4.420 nan 0.000 0.215 32 P C 1.624 178.766 177.300 -0.264 0.000 1.157 32 P CA 2.142 65.095 63.100 -0.245 0.000 0.874 32 P CB -0.128 31.444 31.700 -0.213 0.000 0.790 33 A N 0.018 122.571 122.820 -0.446 0.000 2.024 33 A HA -0.244 4.076 4.320 0.000 0.000 0.220 33 A C 2.205 179.682 177.584 -0.179 0.000 1.164 33 A CA 2.049 53.913 52.037 -0.288 0.000 0.643 33 A CB -1.457 17.340 19.000 -0.339 0.000 0.806 33 A HN 0.285 nan 8.150 nan 0.000 0.451 34 N N 0.109 118.693 118.700 -0.193 0.000 2.405 34 N HA 0.021 4.761 4.740 0.000 0.000 0.175 34 N C 1.421 176.870 175.510 -0.103 0.000 1.051 34 N CA 0.641 53.606 53.050 -0.140 0.000 0.899 34 N CB -0.276 38.125 38.487 -0.143 0.000 1.000 34 N HN 0.480 nan 8.380 nan 0.000 0.451 35 L N 0.579 121.741 121.223 -0.103 0.000 2.291 35 L HA 0.071 4.411 4.340 0.000 0.000 0.214 35 L C 2.699 179.535 176.870 -0.057 0.000 1.120 35 L CA 0.740 55.537 54.840 -0.071 0.000 0.799 35 L CB -0.566 41.448 42.059 -0.075 0.000 0.925 35 L HN 0.115 nan 8.230 nan 0.000 0.446 36 A N 0.973 123.755 122.820 -0.063 0.000 1.859 36 A HA -0.156 4.164 4.320 0.000 0.000 0.217 36 A C 1.848 179.407 177.584 -0.042 0.000 1.198 36 A CA 1.685 53.695 52.037 -0.046 0.000 0.629 36 A CB -0.693 18.281 19.000 -0.044 0.000 0.830 36 A HN 0.357 nan 8.150 nan 0.000 0.446 37 A N -0.114 122.676 122.820 -0.050 0.000 3.063 37 A HA 0.476 4.796 4.320 0.000 0.000 0.263 37 A C 0.696 178.256 177.584 -0.041 0.000 1.736 37 A CA 0.861 52.870 52.037 -0.047 0.000 1.408 37 A CB -1.679 17.287 19.000 -0.057 0.000 1.108 37 A HN 1.411 nan 8.150 nan 0.000 0.621 38 T N -0.629 113.906 114.554 -0.032 0.000 0.541 38 T HA -0.153 4.197 4.350 0.000 0.000 0.774 38 T C 1.066 175.756 174.700 -0.016 0.000 0.992 38 T CA 1.778 63.866 62.100 -0.021 0.000 4.077 38 T CB -0.813 68.046 68.868 -0.015 0.000 2.303 38 T HN 1.696 nan 8.240 nan 0.000 0.398 39 G N -0.651 108.149 108.800 0.000 0.000 3.873 39 G HA2 0.485 4.445 3.960 0.000 0.000 0.232 39 G HA3 0.485 4.445 3.960 0.000 0.000 0.232 39 G C 1.078 176.007 174.900 0.049 0.000 1.097 39 G CA 0.628 45.741 45.100 0.021 0.000 0.889 39 G HN 1.193 nan 8.290 nan 0.000 0.532 40 G N 0.819 109.641 108.800 0.037 0.000 2.486 40 G HA2 0.092 4.052 3.960 0.000 0.000 0.210 40 G HA3 0.092 4.052 3.960 0.000 0.000 0.210 40 G C 1.233 176.175 174.900 0.069 0.000 1.168 40 G CA 0.317 45.445 45.100 0.047 0.000 0.820 40 G HN 0.325 nan 8.290 nan 0.000 0.544 41 I N 1.493 122.092 120.570 0.047 0.000 3.806 41 I HA 0.325 4.495 4.170 0.000 0.000 0.321 41 I C 2.272 178.461 176.117 0.120 0.000 1.315 41 I CA 0.157 61.499 61.300 0.070 0.000 1.148 41 I CB 0.303 38.298 38.000 -0.008 0.000 1.028 41 I HN 0.192 nan 8.210 nan 0.000 0.415 42 A N 0.745 123.625 122.820 0.100 0.000 1.935 42 A HA -0.027 4.293 4.320 0.000 0.000 0.214 42 A C 1.867 179.546 177.584 0.160 0.000 1.178 42 A CA 0.642 52.718 52.037 0.065 0.000 0.640 42 A CB -0.190 18.834 19.000 0.039 0.000 0.825 42 A HN 0.389 nan 8.150 nan 0.000 0.447 43 I N -1.427 119.318 120.570 0.291 0.000 2.614 43 I HA -0.157 4.013 4.170 0.000 0.000 0.258 43 I C 1.816 178.118 176.117 0.309 0.000 1.189 43 I CA 0.916 62.465 61.300 0.414 0.000 1.462 43 I CB -1.665 36.508 38.000 0.287 0.000 1.092 43 I HN 0.501 nan 8.210 nan 0.000 0.442 44 Y N 1.655 122.027 120.300 0.120 0.000 2.488 44 Y HA 0.199 4.749 4.550 0.000 0.000 0.319 44 Y C 1.765 177.701 175.900 0.060 0.000 1.212 44 Y CA 0.340 58.488 58.100 0.081 0.000 1.273 44 Y CB -0.145 38.346 38.460 0.051 0.000 1.074 44 Y HN 0.108 nan 8.280 nan 0.000 0.503 45 G N -2.527 106.322 108.800 0.082 0.000 2.626 45 G HA2 -0.106 3.854 3.960 0.000 0.000 0.193 45 G HA3 -0.106 3.854 3.960 0.000 0.000 0.193 45 G C 0.829 175.704 174.900 -0.041 0.000 1.195 45 G CA -0.225 44.861 45.100 -0.023 0.000 0.864 45 G HN 0.507 nan 8.290 nan 0.000 0.790 46 W N 1.515 122.833 121.300 0.029 0.000 2.421 46 W HA 0.123 4.783 4.660 0.000 0.000 0.270 46 W C 2.231 178.761 176.519 0.018 0.000 1.233 46 W CA 0.333 57.709 57.345 0.053 0.000 1.226 46 W CB 0.009 29.515 29.460 0.076 0.000 1.121 46 W HN 0.088 nan 8.180 nan 0.000 0.579 47 L N -0.953 120.371 121.223 0.168 0.000 1.961 47 L HA -0.262 4.078 4.340 0.000 0.000 0.210 47 L C 2.286 179.154 176.870 -0.002 0.000 1.072 47 L CA 1.134 56.003 54.840 0.048 0.000 0.749 47 L CB -1.576 40.451 42.059 -0.053 0.000 0.889 47 L HN -0.208 nan 8.230 nan 0.000 0.432 48 V N -0.126 119.771 119.914 -0.029 0.000 2.370 48 V HA -0.347 3.773 4.120 0.000 0.000 0.252 48 V C 2.558 178.604 176.094 -0.080 0.000 1.068 48 V CA 2.461 64.738 62.300 -0.038 0.000 1.061 48 V CB -0.893 30.950 31.823 0.032 0.000 0.656 48 V HN 0.543 nan 8.190 nan 0.000 0.455 49 T N -0.122 114.409 114.554 -0.038 0.000 2.668 49 T HA -0.053 4.297 4.350 0.000 0.000 0.262 49 T C 1.846 176.466 174.700 -0.132 0.000 1.045 49 T CA 1.672 63.730 62.100 -0.069 0.000 1.152 49 T CB -0.248 68.667 68.868 0.078 0.000 0.864 49 T HN 0.316 nan 8.240 nan 0.000 0.419 50 I N 0.635 121.233 120.570 0.046 0.000 2.264 50 I HA -0.149 4.021 4.170 0.000 0.000 0.248 50 I C 2.311 178.308 176.117 -0.199 0.000 1.111 50 I CA 1.238 62.494 61.300 -0.073 0.000 1.382 50 I CB -0.377 37.668 38.000 0.075 0.000 1.060 50 I HN 0.244 nan 8.210 nan 0.000 0.418 51 I N 0.539 121.017 120.570 -0.154 0.000 2.142 51 I HA -0.231 3.939 4.170 0.000 0.000 0.240 51 I C 2.675 178.649 176.117 -0.238 0.000 1.078 51 I CA 1.819 63.021 61.300 -0.163 0.000 1.343 51 I CB -0.856 37.072 38.000 -0.121 0.000 1.046 51 I HN 0.252 nan 8.210 nan 0.000 0.405 52 G N 0.200 108.793 108.800 -0.344 0.000 2.418 52 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 52 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 52 G C 1.799 176.337 174.900 -0.604 0.000 1.158 52 G CA 0.817 45.630 45.100 -0.479 0.000 0.771 52 G HN 0.507 nan 8.290 nan 0.000 0.545 53 A N 0.026 122.374 122.820 -0.787 0.000 1.968 53 A HA 0.181 4.501 4.320 0.000 0.000 0.217 53 A C 2.304 179.691 177.584 -0.328 0.000 1.169 53 A CA 1.280 52.997 52.037 -0.534 0.000 0.638 53 A CB -0.314 18.244 19.000 -0.736 0.000 0.812 53 A HN 0.332 nan 8.150 nan 0.000 0.446 54 L N -0.378 120.653 121.223 -0.320 0.000 2.093 54 L HA -0.019 4.321 4.340 0.000 0.000 0.208 54 L C 2.765 179.568 176.870 -0.112 0.000 1.085 54 L CA 1.715 56.434 54.840 -0.203 0.000 0.755 54 L CB -0.660 41.296 42.059 -0.172 0.000 0.904 54 L HN 0.363 nan 8.230 nan 0.000 0.435 55 A N -1.017 121.737 122.820 -0.110 0.000 1.940 55 A HA -0.201 4.119 4.320 0.000 0.000 0.219 55 A C 2.335 179.913 177.584 -0.010 0.000 1.176 55 A CA 1.833 53.837 52.037 -0.054 0.000 0.631 55 A CB -0.741 18.222 19.000 -0.062 0.000 0.814 55 A HN 0.442 nan 8.150 nan 0.000 0.446 56 L N 0.222 121.455 121.223 0.017 0.000 2.072 56 L HA -0.154 4.187 4.340 0.000 0.000 0.205 56 L C 3.025 179.974 176.870 0.131 0.000 1.079 56 L CA 1.671 56.560 54.840 0.083 0.000 0.752 56 L CB -0.323 41.793 42.059 0.094 0.000 0.906 56 L HN 0.637 nan 8.230 nan 0.000 0.436 57 S N -0.727 115.007 115.700 0.057 0.000 2.419 57 S HA -0.209 4.261 4.470 0.000 0.000 0.233 57 S C 1.925 176.577 174.600 0.087 0.000 1.016 57 S CA 0.975 59.217 58.200 0.070 0.000 0.974 57 S CB -0.234 62.960 63.200 -0.010 0.000 0.786 57 S HN 0.274 nan 8.310 nan 0.000 0.492 58 M N 1.394 121.028 119.600 0.056 0.000 2.064 58 M HA 0.020 4.500 4.480 0.000 0.000 0.260 58 M C 2.406 178.751 176.300 0.074 0.000 1.073 58 M CA 1.083 56.422 55.300 0.065 0.000 1.124 58 M CB -1.699 30.933 32.600 0.053 0.000 1.326 58 M HN 0.260 nan 8.290 nan 0.000 0.410 59 V N -0.186 119.754 119.914 0.044 0.000 2.231 59 V HA -0.320 3.800 4.120 0.000 0.000 0.250 59 V C 2.318 178.373 176.094 -0.065 0.000 1.058 59 V CA 2.124 64.399 62.300 -0.042 0.000 1.022 59 V CB -1.102 30.657 31.823 -0.106 0.000 0.640 59 V HN 0.283 nan 8.190 nan 0.000 0.445 60 Y N 0.280 120.585 120.300 0.008 0.000 2.224 60 Y HA -0.156 4.394 4.550 0.000 0.000 0.289 60 Y C 2.458 178.363 175.900 0.008 0.000 1.146 60 Y CA 1.435 59.557 58.100 0.037 0.000 1.182 60 Y CB -0.683 37.840 38.460 0.104 0.000 0.983 60 Y HN 0.201 nan 8.280 nan 0.000 0.524 61 A N -0.294 122.621 122.820 0.158 0.000 1.902 61 A HA -0.220 4.101 4.320 0.000 0.000 0.217 61 A C 2.122 179.722 177.584 0.028 0.000 1.181 61 A CA 2.007 54.098 52.037 0.090 0.000 0.623 61 A CB -0.471 18.575 19.000 0.077 0.000 0.818 61 A HN 0.308 nan 8.150 nan 0.000 0.443 62 K N -0.857 119.538 120.400 -0.008 0.000 2.031 62 K HA -0.012 4.308 4.320 0.000 0.000 0.205 62 K C 1.866 178.350 176.600 -0.194 0.000 1.049 62 K CA 1.757 57.998 56.287 -0.076 0.000 0.939 62 K CB -0.441 31.998 32.500 -0.103 0.000 0.717 62 K HN 0.264 nan 8.250 nan 0.000 0.438 63 M N 0.789 120.221 119.600 -0.279 0.000 2.279 63 M HA -0.097 4.383 4.480 0.000 0.000 0.264 63 M C 1.651 177.630 176.300 -0.534 0.000 1.062 63 M CA 1.930 56.917 55.300 -0.522 0.000 1.099 63 M CB -0.405 31.753 32.600 -0.736 0.000 1.394 63 M HN 0.295 nan 8.290 nan 0.000 0.426 64 S N -1.624 113.941 115.700 -0.225 0.000 2.470 64 S HA -0.022 4.448 4.470 0.000 0.000 0.225 64 S C 1.909 176.484 174.600 -0.042 0.000 1.006 64 S CA 0.768 58.952 58.200 -0.026 0.000 0.934 64 S CB -0.957 62.325 63.200 0.136 0.000 0.778 64 S HN 0.629 nan 8.310 nan 0.000 0.517 65 S N 1.867 117.520 115.700 -0.079 0.000 2.436 65 S HA 0.196 4.666 4.470 0.000 0.000 0.228 65 S C 1.717 176.251 174.600 -0.110 0.000 1.014 65 S CA 0.325 58.489 58.200 -0.061 0.000 0.950 65 S CB -0.714 62.464 63.200 -0.037 0.000 0.784 65 S HN 0.532 nan 8.310 nan 0.000 0.504 66 L N 0.580 121.681 121.223 -0.204 0.000 2.375 66 L HA 0.328 4.668 4.340 0.000 0.000 0.215 66 L C 0.186 176.924 176.870 -0.219 0.000 1.108 66 L CA 0.507 55.171 54.840 -0.294 0.000 0.830 66 L CB -0.092 41.680 42.059 -0.478 0.000 0.959 66 L HN 0.309 nan 8.230 nan 0.000 0.457 67 D N -0.333 119.974 120.400 -0.155 0.000 2.362 67 D HA 0.180 4.820 4.640 0.000 0.000 0.232 67 D C -2.735 173.616 176.300 0.084 0.000 1.329 67 D CA -1.438 52.536 54.000 -0.043 0.000 0.944 67 D CB 1.427 42.203 40.800 -0.041 0.000 1.471 67 D HN -0.253 nan 8.370 nan 0.000 0.533 68 P HA 0.243 nan 4.420 nan 0.000 0.271 68 P C -0.573 176.780 177.300 0.088 0.000 1.380 68 P CA -0.041 63.112 63.100 0.088 0.000 0.992 68 P CB 0.854 32.582 31.700 0.047 0.000 1.230 69 S N 4.951 120.718 115.700 0.112 0.000 2.722 69 S HA 0.369 4.839 4.470 0.000 0.000 0.292 69 S C -1.307 173.301 174.600 0.013 0.000 1.135 69 S CA -1.437 56.792 58.200 0.048 0.000 1.003 69 S CB 0.637 63.837 63.200 -0.000 0.000 1.067 69 S HN 0.214 nan 8.310 nan 0.000 0.546 70 P HA -0.055 nan 4.420 nan 0.000 0.219 70 P C 0.573 177.877 177.300 0.006 0.000 1.158 70 P CA 1.570 64.685 63.100 0.025 0.000 0.895 70 P CB -0.022 31.709 31.700 0.053 0.000 0.792 71 G N -3.872 104.915 108.800 -0.021 0.000 2.321 71 G HA2 0.462 4.422 3.960 0.000 0.000 0.296 71 G HA3 0.462 4.422 3.960 0.000 0.000 0.296 71 G C -0.585 174.233 174.900 -0.137 0.000 1.287 71 G CA -0.303 44.773 45.100 -0.039 0.000 0.846 71 G HN 0.296 nan 8.290 nan 0.000 0.508 72 G N -1.468 107.163 108.800 -0.281 0.000 2.641 72 G HA2 0.624 4.584 3.960 0.000 0.000 0.239 72 G HA3 0.624 4.584 3.960 0.000 0.000 0.239 72 G C 1.057 175.403 174.900 -0.923 0.000 1.402 72 G CA 1.249 46.092 45.100 -0.430 0.000 1.046 72 G HN 1.897 nan 8.290 nan 0.000 0.565 73 S N -1.818 113.409 115.700 -0.789 0.000 4.155 73 S HA -0.416 4.054 4.470 0.000 0.000 0.542 73 S C 1.601 176.041 174.600 -0.267 0.000 1.863 73 S CA 2.299 60.343 58.200 -0.260 0.000 4.239 73 S CB -1.864 61.212 63.200 -0.206 0.000 0.331 73 S HN 1.473 nan 8.310 nan 0.000 0.461 74 Y N 2.669 122.796 120.300 -0.289 0.000 2.073 74 Y HA -0.308 4.242 4.550 0.000 0.000 0.270 74 Y C 2.305 178.097 175.900 -0.180 0.000 1.226 74 Y CA 3.340 61.321 58.100 -0.198 0.000 1.117 74 Y CB -1.208 37.129 38.460 -0.206 0.000 0.939 74 Y HN 0.504 nan 8.280 nan 0.000 0.504 75 A N -0.095 122.421 122.820 -0.506 0.000 1.851 75 A HA -0.220 4.100 4.320 0.000 0.000 0.216 75 A C 2.163 179.564 177.584 -0.305 0.000 1.195 75 A CA 1.921 53.652 52.037 -0.510 0.000 0.622 75 A CB -1.706 17.097 19.000 -0.328 0.000 0.831 75 A HN 0.767 nan 8.150 nan 0.000 0.444 76 Y N -0.246 119.944 120.300 -0.183 0.000 2.151 76 Y HA -0.208 4.342 4.550 0.000 0.000 0.284 76 Y C 2.983 178.772 175.900 -0.186 0.000 1.166 76 Y CA 0.476 58.469 58.100 -0.179 0.000 1.163 76 Y CB -0.459 37.904 38.460 -0.162 0.000 0.974 76 Y HN 0.371 nan 8.280 nan 0.000 0.511 77 A N 0.632 123.442 122.820 -0.017 0.000 1.902 77 A HA -0.229 4.091 4.320 0.000 0.000 0.217 77 A C 2.241 179.763 177.584 -0.104 0.000 1.181 77 A CA 1.709 53.749 52.037 0.005 0.000 0.623 77 A CB -0.770 18.273 19.000 0.072 0.000 0.818 77 A HN 0.438 nan 8.150 nan 0.000 0.443 78 R N -0.279 120.064 120.500 -0.263 0.000 2.088 78 R HA -0.188 4.152 4.340 0.000 0.000 0.232 78 R C 2.465 178.666 176.300 -0.165 0.000 1.136 78 R CA 1.899 57.840 56.100 -0.264 0.000 0.926 78 R CB -0.346 29.686 30.300 -0.448 0.000 0.837 78 R HN 0.561 nan 8.270 nan 0.000 0.429 79 R N -0.035 120.366 120.500 -0.165 0.000 2.115 79 R HA -0.232 4.108 4.340 0.000 0.000 0.239 79 R C 2.655 178.838 176.300 -0.195 0.000 1.133 79 R CA 1.866 57.880 56.100 -0.144 0.000 0.935 79 R CB -1.192 29.033 30.300 -0.124 0.000 0.853 79 R HN 0.408 nan 8.270 nan 0.000 0.433 80 C N -0.087 119.051 119.300 -0.270 0.000 2.388 80 C HA -0.149 4.311 4.460 0.000 0.000 0.277 80 C C 2.197 176.833 174.990 -0.590 0.000 1.210 80 C CA 0.996 59.704 59.018 -0.516 0.000 1.743 80 C CB -0.833 26.487 27.740 -0.699 0.000 2.047 80 C HN 0.496 nan 8.230 nan 0.000 0.458 81 F N 0.116 119.975 119.950 -0.153 0.000 2.720 81 F HA 0.430 4.957 4.527 0.000 0.000 0.301 81 F C 1.317 177.054 175.800 -0.105 0.000 1.103 81 F CA 0.721 58.629 58.000 -0.154 0.000 1.291 81 F CB 0.204 39.048 39.000 -0.260 0.000 1.086 81 F HN 0.614 nan 8.300 nan 0.000 0.592 82 G N 0.599 109.420 108.800 0.035 0.000 2.306 82 G HA2 -0.107 3.853 3.960 0.000 0.000 0.262 82 G HA3 -0.107 3.853 3.960 0.000 0.000 0.262 82 G C -2.488 172.422 174.900 0.017 0.000 1.263 82 G CA -0.432 44.684 45.100 0.026 0.000 1.088 82 G HN -0.173 nan 8.290 nan 0.000 0.489 83 P HA 0.156 nan 4.420 nan 0.000 0.217 83 P C 1.821 179.164 177.300 0.072 0.000 1.153 83 P CA 1.243 64.396 63.100 0.089 0.000 0.843 83 P CB -0.004 31.783 31.700 0.145 0.000 0.794 84 F N 1.451 121.318 119.950 -0.139 0.000 2.043 84 F HA -0.193 4.334 4.527 0.000 0.000 0.297 84 F C 1.733 177.404 175.800 -0.216 0.000 1.121 84 F CA 1.669 59.406 58.000 -0.439 0.000 1.199 84 F CB -1.317 37.458 39.000 -0.375 0.000 0.968 84 F HN -0.298 nan 8.300 nan 0.000 0.478 85 L N 0.545 121.534 121.223 -0.390 0.000 2.275 85 L HA 0.022 4.362 4.340 0.000 0.000 0.215 85 L C 2.764 179.510 176.870 -0.207 0.000 1.119 85 L CA 1.465 56.026 54.840 -0.465 0.000 0.790 85 L CB -1.654 40.148 42.059 -0.429 0.000 0.919 85 L HN 0.326 nan 8.230 nan 0.000 0.443 86 G N -1.220 107.518 108.800 -0.103 0.000 2.434 86 G HA2 -0.354 3.607 3.960 0.000 0.000 0.214 86 G HA3 -0.354 3.607 3.960 0.000 0.000 0.214 86 G C 1.643 176.681 174.900 0.230 0.000 1.202 86 G CA 0.809 45.895 45.100 -0.023 0.000 0.788 86 G HN 0.437 nan 8.290 nan 0.000 0.539 87 Y N 1.110 121.442 120.300 0.054 0.000 2.102 87 Y HA -0.299 4.251 4.550 0.000 0.000 0.280 87 Y C 2.896 178.755 175.900 -0.069 0.000 1.178 87 Y CA 2.685 60.797 58.100 0.021 0.000 1.146 87 Y CB -0.230 38.181 38.460 -0.081 0.000 0.968 87 Y HN 0.353 nan 8.280 nan 0.000 0.504 88 Q N -0.473 119.109 119.800 -0.363 0.000 2.050 88 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 88 Q C 2.073 177.914 176.000 -0.266 0.000 0.980 88 Q CA 2.304 57.836 55.803 -0.453 0.000 0.840 88 Q CB -0.286 28.139 28.738 -0.523 0.000 0.898 88 Q HN 0.507 nan 8.270 nan 0.000 0.424 89 T N 1.013 115.506 114.554 -0.101 0.000 2.759 89 T HA -0.193 4.157 4.350 0.000 0.000 0.269 89 T C 1.453 176.146 174.700 -0.011 0.000 1.042 89 T CA 1.513 63.623 62.100 0.017 0.000 1.140 89 T CB -0.433 68.515 68.868 0.134 0.000 0.864 89 T HN 0.471 nan 8.240 nan 0.000 0.455 90 N N 0.808 119.465 118.700 -0.072 0.000 2.039 90 N HA -0.116 4.624 4.740 0.000 0.000 0.193 90 N C 1.740 177.113 175.510 -0.227 0.000 1.044 90 N CA 1.662 54.563 53.050 -0.247 0.000 0.847 90 N CB -0.472 37.664 38.487 -0.584 0.000 1.030 90 N HN 0.184 nan 8.380 nan 0.000 0.422 91 V N 1.304 121.029 119.914 -0.315 0.000 2.231 91 V HA -0.277 3.843 4.120 0.000 0.000 0.248 91 V C 2.481 178.548 176.094 -0.044 0.000 1.054 91 V CA 1.868 64.084 62.300 -0.140 0.000 1.015 91 V CB -1.027 30.663 31.823 -0.223 0.000 0.638 91 V HN 0.366 nan 8.190 nan 0.000 0.444 92 L N -1.260 119.851 121.223 -0.187 0.000 2.013 92 L HA -0.267 4.074 4.340 0.000 0.000 0.212 92 L C 2.566 179.419 176.870 -0.028 0.000 1.073 92 L CA 2.527 57.202 54.840 -0.276 0.000 0.753 92 L CB -0.784 41.094 42.059 -0.302 0.000 0.890 92 L HN 0.419 nan 8.230 nan 0.000 0.432 93 Y N -0.733 119.530 120.300 -0.062 0.000 2.263 93 Y HA -0.275 4.275 4.550 0.000 0.000 0.292 93 Y C 2.407 178.328 175.900 0.034 0.000 1.130 93 Y CA 1.180 59.275 58.100 -0.008 0.000 1.179 93 Y CB -0.292 38.153 38.460 -0.024 0.000 0.998 93 Y HN 0.208 nan 8.280 nan 0.000 0.532 94 W N 0.873 122.140 121.300 -0.054 0.000 2.358 94 W HA -0.234 4.426 4.660 0.000 0.000 0.303 94 W C 1.636 178.086 176.519 -0.115 0.000 1.208 94 W CA 2.300 59.601 57.345 -0.073 0.000 1.274 94 W CB -0.587 28.769 29.460 -0.173 0.000 1.138 94 W HN 0.090 nan 8.180 nan 0.000 0.515 95 L N 0.598 121.652 121.223 -0.283 0.000 2.017 95 L HA -0.178 4.162 4.340 0.000 0.000 0.208 95 L C 2.720 179.063 176.870 -0.878 0.000 1.073 95 L CA 1.522 55.881 54.840 -0.801 0.000 0.745 95 L CB -1.510 40.358 42.059 -0.319 0.000 0.894 95 L HN 0.077 nan 8.230 nan 0.000 0.432 96 A N -1.146 121.410 122.820 -0.440 0.000 2.131 96 A HA -0.215 4.105 4.320 0.000 0.000 0.220 96 A C 2.352 179.591 177.584 -0.575 0.000 1.158 96 A CA 1.696 53.471 52.037 -0.437 0.000 0.665 96 A CB -0.992 17.859 19.000 -0.249 0.000 0.795 96 A HN 0.557 nan 8.150 nan 0.000 0.460 97 C N -1.257 117.712 119.300 -0.553 0.000 2.518 97 C HA -0.041 4.419 4.460 0.000 0.000 0.279 97 C C 2.576 177.392 174.990 -0.290 0.000 1.279 97 C CA 0.644 59.487 59.018 -0.292 0.000 1.703 97 C CB -1.254 26.437 27.740 -0.082 0.000 2.072 97 C HN 0.953 nan 8.230 nan 0.000 0.487 98 W N 0.276 121.324 121.300 -0.420 0.000 2.704 98 W HA 0.289 4.949 4.660 0.000 0.000 0.266 98 W C 1.692 177.980 176.519 -0.385 0.000 1.266 98 W CA 0.281 57.389 57.345 -0.394 0.000 1.377 98 W CB -1.130 28.056 29.460 -0.457 0.000 1.082 98 W HN 0.193 nan 8.180 nan 0.000 0.608 99 I N 2.048 121.988 120.570 -1.051 0.000 2.493 99 I HA -0.092 4.078 4.170 0.000 0.000 0.254 99 I C 2.633 178.450 176.117 -0.499 0.000 1.160 99 I CA 1.751 62.553 61.300 -0.829 0.000 1.445 99 I CB -0.862 36.529 38.000 -1.016 0.000 1.086 99 I HN 0.059 nan 8.210 nan 0.000 0.433 100 G N 0.076 108.555 108.800 -0.535 0.000 2.712 100 G HA2 -0.144 3.816 3.960 0.000 0.000 0.212 100 G HA3 -0.144 3.816 3.960 0.000 0.000 0.212 100 G C 1.298 175.933 174.900 -0.441 0.000 1.142 100 G CA 0.136 44.932 45.100 -0.505 0.000 0.789 100 G HN 0.259 nan 8.290 nan 0.000 0.535 101 N N 0.834 119.329 118.700 -0.342 0.000 2.300 101 N HA -0.008 4.732 4.740 0.000 0.000 0.179 101 N C 2.318 177.721 175.510 -0.178 0.000 1.016 101 N CA 0.499 53.403 53.050 -0.242 0.000 0.876 101 N CB -0.118 38.288 38.487 -0.135 0.000 0.979 101 N HN 0.479 nan 8.380 nan 0.000 0.432 102 I N -1.024 119.460 120.570 -0.143 0.000 2.361 102 I HA -0.107 4.063 4.170 0.000 0.000 0.251 102 I C 1.868 177.914 176.117 -0.118 0.000 1.133 102 I CA 1.076 62.318 61.300 -0.096 0.000 1.413 102 I CB -0.500 37.474 38.000 -0.043 0.000 1.073 102 I HN -0.027 nan 8.210 nan 0.000 0.424 103 A N 0.885 123.608 122.820 -0.162 0.000 2.169 103 A HA 0.124 4.444 4.320 0.000 0.000 0.212 103 A C 2.319 179.801 177.584 -0.170 0.000 1.153 103 A CA 0.610 52.550 52.037 -0.162 0.000 0.756 103 A CB -0.273 18.613 19.000 -0.189 0.000 0.813 103 A HN 0.347 nan 8.150 nan 0.000 0.471 104 M N -0.203 119.285 119.600 -0.187 0.000 2.435 104 M HA -0.038 4.442 4.480 0.000 0.000 0.265 104 M C 2.017 178.224 176.300 -0.156 0.000 1.104 104 M CA 1.197 56.383 55.300 -0.190 0.000 1.140 104 M CB -0.372 32.096 32.600 -0.219 0.000 1.372 104 M HN 0.370 nan 8.290 nan 0.000 0.456 105 V N -2.502 117.338 119.914 -0.124 0.000 2.407 105 V HA -0.079 4.041 4.120 0.000 0.000 0.245 105 V C 2.361 178.420 176.094 -0.058 0.000 1.041 105 V CA 0.939 63.190 62.300 -0.081 0.000 1.040 105 V CB -1.470 30.320 31.823 -0.055 0.000 0.671 105 V HN 0.151 nan 8.190 nan 0.000 0.455 106 V N 0.579 120.454 119.914 -0.066 0.000 2.231 106 V HA -0.260 3.860 4.120 0.000 0.000 0.248 106 V C 2.491 178.560 176.094 -0.042 0.000 1.054 106 V CA 2.613 64.883 62.300 -0.051 0.000 1.015 106 V CB -0.655 31.130 31.823 -0.064 0.000 0.638 106 V HN 0.436 nan 8.190 nan 0.000 0.444 107 I N 0.947 121.469 120.570 -0.080 0.000 2.394 107 I HA -0.070 4.100 4.170 0.000 0.000 0.251 107 I C 2.432 178.469 176.117 -0.134 0.000 1.136 107 I CA 1.557 62.807 61.300 -0.083 0.000 1.425 107 I CB -1.230 36.661 38.000 -0.182 0.000 1.079 107 I HN 0.275 nan 8.210 nan 0.000 0.425 108 G N 0.078 108.789 108.800 -0.148 0.000 2.484 108 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 108 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 108 G C 1.755 176.671 174.900 0.026 0.000 1.219 108 G CA 1.102 46.125 45.100 -0.128 0.000 0.791 108 G HN 0.261 nan 8.290 nan 0.000 0.550 109 V N 1.683 121.626 119.914 0.048 0.000 2.490 109 V HA -0.043 4.077 4.120 0.000 0.000 0.250 109 V C 2.886 179.069 176.094 0.148 0.000 1.061 109 V CA 1.635 63.992 62.300 0.095 0.000 1.064 109 V CB -0.862 30.997 31.823 0.060 0.000 0.670 109 V HN 0.453 nan 8.190 nan 0.000 0.461 110 G N -2.495 106.395 108.800 0.150 0.000 3.028 110 G HA2 -0.161 3.799 3.960 0.000 0.000 0.205 110 G HA3 -0.161 3.799 3.960 0.000 0.000 0.205 110 G C 0.920 176.124 174.900 0.507 0.000 1.182 110 G CA 0.223 45.439 45.100 0.194 0.000 0.860 110 G HN 0.542 nan 8.290 nan 0.000 0.507 111 Y N -1.131 119.272 120.300 0.171 0.000 2.430 111 Y HA 0.379 4.929 4.550 0.000 0.000 0.254 111 Y C 2.214 178.257 175.900 0.238 0.000 1.088 111 Y CA -0.519 57.701 58.100 0.200 0.000 1.267 111 Y CB 0.349 38.885 38.460 0.127 0.000 1.204 111 Y HN 0.107 nan 8.280 nan 0.000 0.515 112 L N -0.899 120.541 121.223 0.361 0.000 2.189 112 L HA -0.019 4.321 4.340 0.000 0.000 0.199 112 L C 2.014 179.060 176.870 0.293 0.000 1.074 112 L CA 1.351 56.381 54.840 0.317 0.000 0.783 112 L CB -0.512 41.673 42.059 0.209 0.000 0.955 112 L HN 0.064 nan 8.230 nan 0.000 0.460 113 S N -1.823 114.011 115.700 0.224 0.000 2.701 113 S HA -0.040 4.430 4.470 0.000 0.000 0.220 113 S C 1.431 176.171 174.600 0.234 0.000 0.954 113 S CA 0.028 58.341 58.200 0.187 0.000 0.936 113 S CB -0.292 62.967 63.200 0.099 0.000 0.777 113 S HN 0.296 nan 8.310 nan 0.000 0.518 114 Y N 1.032 121.427 120.300 0.159 0.000 2.509 114 Y HA 0.451 5.001 4.550 0.000 0.000 0.270 114 Y C 0.082 176.087 175.900 0.176 0.000 1.103 114 Y CA -1.435 56.735 58.100 0.117 0.000 1.278 114 Y CB 0.234 38.722 38.460 0.047 0.000 1.087 114 Y HN 0.463 nan 8.280 nan 0.000 0.542 115 F N 0.552 120.637 119.950 0.225 0.000 2.550 115 F HA 0.332 4.859 4.527 0.000 0.000 0.348 115 F C -0.566 175.443 175.800 0.349 0.000 1.219 115 F CA -0.345 57.733 58.000 0.130 0.000 1.203 115 F CB 0.031 38.983 39.000 -0.080 0.000 1.436 115 F HN -0.056 nan 8.300 nan 0.000 0.541 116 F N 1.962 121.800 119.950 -0.186 0.000 1.798 116 F HA 0.273 4.800 4.527 0.000 0.000 0.311 116 F C -2.197 173.527 175.800 -0.127 0.000 1.089 116 F CA -0.112 57.773 58.000 -0.191 0.000 1.238 116 F CB -0.085 38.914 39.000 -0.001 0.000 1.668 116 F HN 0.055 nan 8.300 nan 0.000 0.415 117 P HA 0.492 nan 4.420 nan 0.000 0.258 117 P C 0.717 178.168 177.300 0.251 0.000 1.589 117 P CA -0.216 63.025 63.100 0.234 0.000 1.149 117 P CB 0.927 32.719 31.700 0.153 0.000 1.369 118 I N 1.173 121.937 120.570 0.322 0.000 3.107 118 I HA -0.299 3.871 4.170 0.000 0.000 0.193 118 I C 0.763 176.954 176.117 0.123 0.000 0.855 118 I CA 1.847 63.263 61.300 0.192 0.000 1.147 118 I CB -0.524 37.507 38.000 0.052 0.000 0.875 118 I HN 0.259 nan 8.210 nan 0.000 0.338 119 L N -1.343 119.931 121.223 0.085 0.000 2.469 119 L HA 0.303 4.643 4.340 0.000 0.000 0.256 119 L C 0.092 176.982 176.870 0.033 0.000 1.006 119 L CA -0.600 54.272 54.840 0.054 0.000 0.832 119 L CB 2.315 44.399 42.059 0.041 0.000 1.421 119 L HN 0.084 nan 8.230 nan 0.000 0.410 120 K N -1.215 119.193 120.400 0.013 0.000 2.550 120 K HA 0.207 4.527 4.320 0.000 0.000 0.205 120 K C -0.508 176.077 176.600 -0.024 0.000 1.429 120 K CA -0.597 55.677 56.287 -0.021 0.000 0.997 120 K CB 0.574 33.057 32.500 -0.029 0.000 1.328 120 K HN 0.408 nan 8.250 nan 0.000 0.546 121 D N 2.725 123.121 120.400 -0.007 0.000 2.390 121 D HA 0.006 4.646 4.640 0.000 0.000 0.236 121 D C -1.736 174.563 176.300 -0.002 0.000 1.189 121 D CA -1.297 52.699 54.000 -0.006 0.000 0.887 121 D CB 0.329 41.129 40.800 0.001 0.000 1.198 121 D HN -0.186 nan 8.370 nan 0.000 0.444 122 P HA -0.167 nan 4.420 nan 0.000 0.206 122 P C 1.397 178.712 177.300 0.024 0.000 1.142 122 P CA 1.136 64.240 63.100 0.006 0.000 0.946 122 P CB 0.087 31.789 31.700 0.002 0.000 0.777 123 L N -1.603 119.633 121.223 0.023 0.000 2.633 123 L HA -0.074 4.266 4.340 0.000 0.000 0.235 123 L C 1.928 178.825 176.870 0.044 0.000 1.163 123 L CA 0.408 55.269 54.840 0.036 0.000 0.859 123 L CB -0.485 41.581 42.059 0.011 0.000 0.973 123 L HN -0.081 nan 8.230 nan 0.000 0.451 124 V N -0.836 119.099 119.914 0.035 0.000 2.672 124 V HA -0.131 3.989 4.120 0.000 0.000 0.242 124 V C 1.987 178.107 176.094 0.043 0.000 1.059 124 V CA 0.842 63.164 62.300 0.036 0.000 1.081 124 V CB 0.168 32.005 31.823 0.024 0.000 0.752 124 V HN 0.329 nan 8.190 nan 0.000 0.472 125 L N -0.161 121.082 121.223 0.034 0.000 2.179 125 L HA -0.095 4.245 4.340 0.000 0.000 0.208 125 L C 2.525 179.425 176.870 0.050 0.000 1.096 125 L CA 1.709 56.568 54.840 0.032 0.000 0.779 125 L CB -0.136 41.927 42.059 0.006 0.000 0.922 125 L HN 0.407 nan 8.230 nan 0.000 0.443 126 T N -0.625 113.971 114.554 0.071 0.000 2.915 126 T HA -0.103 4.247 4.350 0.000 0.000 0.269 126 T C 1.756 176.538 174.700 0.136 0.000 1.071 126 T CA 1.076 63.241 62.100 0.107 0.000 1.132 126 T CB -0.072 68.899 68.868 0.171 0.000 0.878 126 T HN 0.295 nan 8.240 nan 0.000 0.479 127 L N 0.697 122.000 121.223 0.132 0.000 2.162 127 L HA 0.046 4.386 4.340 0.000 0.000 0.205 127 L C 2.955 179.886 176.870 0.103 0.000 1.086 127 L CA 1.526 56.450 54.840 0.140 0.000 0.778 127 L CB -0.674 41.455 42.059 0.116 0.000 0.928 127 L HN 0.359 nan 8.230 nan 0.000 0.446 128 T N -3.962 110.640 114.554 0.080 0.000 2.995 128 T HA -0.115 4.235 4.350 0.000 0.000 0.269 128 T C 1.902 176.651 174.700 0.081 0.000 1.091 128 T CA 0.615 62.760 62.100 0.074 0.000 1.128 128 T CB -0.656 68.247 68.868 0.059 0.000 0.891 128 T HN 0.260 nan 8.240 nan 0.000 0.492 129 C N 0.880 120.221 119.300 0.069 0.000 2.518 129 C HA 0.104 4.564 4.460 0.000 0.000 0.279 129 C C 2.895 177.927 174.990 0.070 0.000 1.279 129 C CA 0.084 59.135 59.018 0.055 0.000 1.703 129 C CB -1.056 26.697 27.740 0.021 0.000 2.072 129 C HN 0.422 nan 8.230 nan 0.000 0.487 130 V N 1.613 121.566 119.914 0.065 0.000 2.380 130 V HA -0.260 3.860 4.120 0.000 0.000 0.251 130 V C 2.647 178.891 176.094 0.249 0.000 1.063 130 V CA 2.295 64.664 62.300 0.114 0.000 1.055 130 V CB -1.244 30.611 31.823 0.054 0.000 0.657 130 V HN 0.624 nan 8.190 nan 0.000 0.455 131 A N -0.670 122.256 122.820 0.177 0.000 1.877 131 A HA -0.177 4.143 4.320 0.000 0.000 0.216 131 A C 2.429 180.132 177.584 0.197 0.000 1.186 131 A CA 2.064 54.204 52.037 0.171 0.000 0.620 131 A CB -0.761 18.303 19.000 0.106 0.000 0.822 131 A HN 0.356 nan 8.150 nan 0.000 0.443 132 V N -0.190 119.830 119.914 0.176 0.000 2.809 132 V HA -0.095 4.025 4.120 0.000 0.000 0.256 132 V C 2.239 178.513 176.094 0.300 0.000 1.080 132 V CA 1.325 63.760 62.300 0.224 0.000 1.102 132 V CB -0.406 31.548 31.823 0.218 0.000 0.705 132 V HN 0.562 nan 8.190 nan 0.000 0.475 133 L N -1.435 119.908 121.223 0.200 0.000 1.961 133 L HA -0.177 4.163 4.340 0.000 0.000 0.210 133 L C 2.335 179.261 176.870 0.094 0.000 1.072 133 L CA 2.528 57.425 54.840 0.096 0.000 0.749 133 L CB -0.546 41.480 42.059 -0.055 0.000 0.889 133 L HN 0.416 nan 8.230 nan 0.000 0.432 134 W N -0.140 121.205 121.300 0.076 0.000 2.421 134 W HA -0.144 4.516 4.660 0.000 0.000 0.270 134 W C 2.333 178.879 176.519 0.046 0.000 1.233 134 W CA 0.560 57.937 57.345 0.053 0.000 1.226 134 W CB -0.382 29.092 29.460 0.023 0.000 1.121 134 W HN 0.105 nan 8.180 nan 0.000 0.579 135 I N -1.262 119.451 120.570 0.239 0.000 2.454 135 I HA -0.293 3.877 4.170 0.000 0.000 0.254 135 I C 1.590 177.636 176.117 -0.118 0.000 1.156 135 I CA 1.351 62.674 61.300 0.039 0.000 1.433 135 I CB -0.374 37.612 38.000 -0.024 0.000 1.082 135 I HN -0.056 nan 8.210 nan 0.000 0.432 136 F N -1.086 118.896 119.950 0.054 0.000 2.656 136 F HA 0.039 4.566 4.527 0.000 0.000 0.291 136 F C 2.128 177.936 175.800 0.013 0.000 1.122 136 F CA 0.308 58.326 58.000 0.030 0.000 1.427 136 F CB -0.150 38.862 39.000 0.019 0.000 1.125 136 F HN -0.270 nan 8.300 nan 0.000 0.583 137 V N 0.441 120.437 119.914 0.137 0.000 2.626 137 V HA -0.245 3.875 4.120 0.000 0.000 0.252 137 V C 2.127 178.273 176.094 0.087 0.000 1.067 137 V CA 1.528 63.846 62.300 0.031 0.000 1.081 137 V CB -0.490 31.218 31.823 -0.192 0.000 0.686 137 V HN 0.323 nan 8.190 nan 0.000 0.468 138 L N -1.012 120.282 121.223 0.119 0.000 2.131 138 L HA -0.037 4.303 4.340 0.000 0.000 0.206 138 L C 2.263 179.166 176.870 0.054 0.000 1.087 138 L CA 1.075 55.975 54.840 0.101 0.000 0.767 138 L CB -0.406 41.714 42.059 0.101 0.000 0.917 138 L HN 0.269 nan 8.230 nan 0.000 0.441 139 L N 0.060 121.299 121.223 0.026 0.000 2.201 139 L HA -0.175 4.165 4.340 0.000 0.000 0.212 139 L C 2.249 179.150 176.870 0.052 0.000 1.105 139 L CA 0.815 55.662 54.840 0.011 0.000 0.775 139 L CB -0.532 41.501 42.059 -0.044 0.000 0.913 139 L HN 0.369 nan 8.230 nan 0.000 0.440 140 N N 0.891 119.637 118.700 0.077 0.000 2.290 140 N HA -0.114 4.626 4.740 0.000 0.000 0.179 140 N C 1.634 177.183 175.510 0.065 0.000 1.016 140 N CA 0.848 53.946 53.050 0.079 0.000 0.871 140 N CB 0.042 38.585 38.487 0.093 0.000 0.987 140 N HN 0.269 nan 8.380 nan 0.000 0.431 141 I N -0.084 120.524 120.570 0.065 0.000 3.334 141 I HA 0.026 4.196 4.170 0.000 0.000 0.282 141 I C -0.153 175.994 176.117 0.050 0.000 1.313 141 I CA 0.454 61.790 61.300 0.061 0.000 1.396 141 I CB 0.283 38.324 38.000 0.069 0.000 1.054 141 I HN -0.107 nan 8.210 nan 0.000 0.495 142 V N 0.866 120.806 119.914 0.045 0.000 3.317 142 V HA 0.490 4.610 4.120 0.000 0.000 0.363 142 V C -0.308 175.803 176.094 0.029 0.000 1.205 142 V CA 0.242 62.562 62.300 0.034 0.000 1.598 142 V CB 0.690 32.531 31.823 0.030 0.000 0.958 142 V HN 0.350 nan 8.190 nan 0.000 0.534 143 G N 4.135 112.955 108.800 0.033 0.000 2.823 143 G HA2 0.051 4.011 3.960 0.000 0.000 0.235 143 G HA3 0.051 4.011 3.960 0.000 0.000 0.235 143 G C -2.301 172.620 174.900 0.036 0.000 3.696 143 G CA 0.116 45.234 45.100 0.030 0.000 0.652 143 G HN 0.432 nan 8.290 nan 0.000 0.431 144 P HA -0.064 nan 4.420 nan 0.000 0.218 144 P C 1.884 179.204 177.300 0.033 0.000 1.148 144 P CA 1.153 64.276 63.100 0.037 0.000 0.822 144 P CB 0.245 31.966 31.700 0.034 0.000 0.784 145 K N -1.297 119.120 120.400 0.029 0.000 2.116 145 K HA 0.018 4.338 4.320 0.000 0.000 0.203 145 K C 2.183 178.801 176.600 0.029 0.000 1.052 145 K CA 0.996 57.299 56.287 0.026 0.000 0.952 145 K CB -0.446 32.068 32.500 0.022 0.000 0.729 145 K HN 0.132 nan 8.250 nan 0.000 0.446 146 M N 1.187 120.804 119.600 0.028 0.000 2.132 146 M HA -0.116 4.364 4.480 0.000 0.000 0.263 146 M C 2.145 178.467 176.300 0.037 0.000 1.065 146 M CA 1.426 56.742 55.300 0.026 0.000 1.122 146 M CB 0.046 32.657 32.600 0.019 0.000 1.365 146 M HN 0.181 nan 8.290 nan 0.000 0.411 147 I N -0.135 120.465 120.570 0.051 0.000 2.353 147 I HA -0.229 3.941 4.170 0.000 0.000 0.248 147 I C 1.957 178.122 176.117 0.081 0.000 1.119 147 I CA 1.815 63.164 61.300 0.082 0.000 1.417 147 I CB -0.202 37.857 38.000 0.098 0.000 1.078 147 I HN 0.471 nan 8.210 nan 0.000 0.421 148 T N -1.585 113.002 114.554 0.055 0.000 2.915 148 T HA -0.106 4.244 4.350 0.000 0.000 0.269 148 T C 1.935 176.662 174.700 0.045 0.000 1.071 148 T CA 0.672 62.798 62.100 0.043 0.000 1.132 148 T CB -0.405 68.480 68.868 0.028 0.000 0.878 148 T HN 0.386 nan 8.240 nan 0.000 0.479 149 R N 0.733 121.259 120.500 0.044 0.000 2.062 149 R HA 0.028 4.368 4.340 0.000 0.000 0.231 149 R C 2.634 178.966 176.300 0.054 0.000 1.136 149 R CA 1.293 57.418 56.100 0.041 0.000 0.948 149 R CB -0.983 29.336 30.300 0.032 0.000 0.845 149 R HN 0.262 nan 8.270 nan 0.000 0.430 150 V N 1.401 121.355 119.914 0.068 0.000 2.252 150 V HA -0.340 3.780 4.120 0.000 0.000 0.249 150 V C 2.544 178.708 176.094 0.117 0.000 1.056 150 V CA 2.218 64.576 62.300 0.096 0.000 1.022 150 V CB -0.662 31.238 31.823 0.129 0.000 0.641 150 V HN 0.418 nan 8.190 nan 0.000 0.445 151 Q N -0.252 119.618 119.800 0.117 0.000 2.084 151 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 151 Q C 2.252 178.293 176.000 0.068 0.000 0.978 151 Q CA 1.907 57.767 55.803 0.095 0.000 0.844 151 Q CB -0.339 28.442 28.738 0.071 0.000 0.898 151 Q HN 0.636 nan 8.270 nan 0.000 0.426 152 A N -0.119 122.734 122.820 0.055 0.000 1.978 152 A HA -0.161 4.159 4.320 0.000 0.000 0.220 152 A C 2.152 179.765 177.584 0.048 0.000 1.170 152 A CA 1.666 53.729 52.037 0.044 0.000 0.636 152 A CB -0.626 18.396 19.000 0.036 0.000 0.810 152 A HN 0.325 nan 8.150 nan 0.000 0.448 153 V N -0.626 119.322 119.914 0.057 0.000 2.323 153 V HA -0.139 3.981 4.120 0.000 0.000 0.244 153 V C 3.011 179.146 176.094 0.067 0.000 1.041 153 V CA 1.777 64.112 62.300 0.057 0.000 1.025 153 V CB -1.095 30.762 31.823 0.057 0.000 0.656 153 V HN 0.592 nan 8.190 nan 0.000 0.451 154 A N 0.767 123.636 122.820 0.082 0.000 1.969 154 A HA -0.181 4.139 4.320 0.000 0.000 0.218 154 A C 2.434 180.064 177.584 0.077 0.000 1.169 154 A CA 2.231 54.321 52.037 0.090 0.000 0.635 154 A CB -0.827 18.241 19.000 0.112 0.000 0.810 154 A HN 0.636 nan 8.150 nan 0.000 0.445 155 T N -3.039 111.555 114.554 0.066 0.000 2.942 155 T HA -0.030 4.320 4.350 0.000 0.000 0.265 155 T C 1.659 176.391 174.700 0.054 0.000 1.062 155 T CA 1.270 63.404 62.100 0.058 0.000 1.139 155 T CB -0.491 68.405 68.868 0.047 0.000 0.883 155 T HN 0.043 nan 8.240 nan 0.000 0.468 156 V N 1.601 121.546 119.914 0.051 0.000 2.379 156 V HA -0.003 4.117 4.120 0.000 0.000 0.245 156 V C 2.726 178.853 176.094 0.055 0.000 1.044 156 V CA 1.240 63.569 62.300 0.047 0.000 1.036 156 V CB -0.726 31.123 31.823 0.042 0.000 0.664 156 V HN 0.433 nan 8.190 nan 0.000 0.453 157 L N 0.383 121.645 121.223 0.064 0.000 2.012 157 L HA -0.168 4.172 4.340 0.000 0.000 0.210 157 L C 2.683 179.602 176.870 0.082 0.000 1.073 157 L CA 1.770 56.654 54.840 0.074 0.000 0.748 157 L CB -0.839 41.270 42.059 0.083 0.000 0.891 157 L HN 0.359 nan 8.230 nan 0.000 0.431 158 A N -0.673 122.198 122.820 0.084 0.000 2.125 158 A HA -0.151 4.169 4.320 0.000 0.000 0.219 158 A C 2.115 179.749 177.584 0.085 0.000 1.156 158 A CA 1.201 53.293 52.037 0.091 0.000 0.671 158 A CB -0.391 18.661 19.000 0.088 0.000 0.794 158 A HN 0.325 nan 8.150 nan 0.000 0.459 159 L N -0.832 120.432 121.223 0.069 0.000 2.375 159 L HA 0.068 4.408 4.340 0.000 0.000 0.215 159 L C 2.201 179.105 176.870 0.056 0.000 1.108 159 L CA 0.924 55.798 54.840 0.058 0.000 0.830 159 L CB -0.185 41.899 42.059 0.042 0.000 0.959 159 L HN 0.130 nan 8.230 nan 0.000 0.457 160 V N 1.089 121.039 119.914 0.060 0.000 2.278 160 V HA -0.279 3.841 4.120 0.000 0.000 0.251 160 V C -0.090 176.038 176.094 0.057 0.000 1.062 160 V CA 2.491 64.825 62.300 0.056 0.000 1.038 160 V CB -1.782 30.078 31.823 0.062 0.000 0.646 160 V HN 0.371 nan 8.190 nan 0.000 0.447 161 P HA -0.092 nan 4.420 nan 0.000 0.213 161 P C 1.873 179.211 177.300 0.064 0.000 1.170 161 P CA 1.513 64.656 63.100 0.072 0.000 0.893 161 P CB -0.086 31.672 31.700 0.097 0.000 0.784 162 I N -0.948 119.662 120.570 0.067 0.000 2.208 162 I HA -0.192 3.978 4.170 0.000 0.000 0.245 162 I C 2.406 178.538 176.117 0.025 0.000 1.097 162 I CA 1.328 62.654 61.300 0.042 0.000 1.363 162 I CB -0.844 37.187 38.000 0.051 0.000 1.051 162 I HN -0.153 nan 8.210 nan 0.000 0.413 163 V N 1.137 121.071 119.914 0.033 0.000 2.667 163 V HA -0.088 4.032 4.120 0.000 0.000 0.252 163 V C 2.227 178.342 176.094 0.035 0.000 1.065 163 V CA 2.061 64.379 62.300 0.030 0.000 1.083 163 V CB -0.409 31.432 31.823 0.030 0.000 0.692 163 V HN 0.511 nan 8.190 nan 0.000 0.468 164 G N -0.144 108.677 108.800 0.036 0.000 2.572 164 G HA2 0.004 3.964 3.960 0.000 0.000 0.216 164 G HA3 0.004 3.964 3.960 0.000 0.000 0.216 164 G C 0.823 175.738 174.900 0.026 0.000 1.133 164 G CA 0.008 45.130 45.100 0.035 0.000 0.791 164 G HN 0.440 nan 8.290 nan 0.000 0.538 165 I N 1.721 122.297 120.570 0.010 0.000 2.213 165 I HA 0.468 4.638 4.170 0.000 0.000 0.295 165 I C 0.496 176.579 176.117 -0.056 0.000 1.172 165 I CA -0.264 61.015 61.300 -0.035 0.000 1.443 165 I CB -0.794 37.169 38.000 -0.062 0.000 1.491 165 I HN 0.158 nan 8.210 nan 0.000 0.652 166 A N 3.849 126.677 122.820 0.014 0.000 1.705 166 A HA 0.249 4.569 4.320 0.000 0.000 0.235 166 A C 0.088 177.798 177.584 0.209 0.000 2.307 166 A CA -0.642 51.498 52.037 0.171 0.000 2.049 166 A CB -0.769 18.395 19.000 0.274 0.000 0.440 166 A HN 0.244 nan 8.150 nan 0.000 0.939 167 V N 0.202 120.214 119.914 0.164 0.000 5.702 167 V HA -0.264 3.856 4.120 0.000 0.000 0.268 167 V C 0.945 177.101 176.094 0.104 0.000 0.689 167 V CA 2.122 64.490 62.300 0.113 0.000 0.965 167 V CB -2.105 29.742 31.823 0.041 0.000 1.107 167 V HN 1.108 nan 8.190 nan 0.000 0.434 168 F N 0.975 120.924 119.950 -0.002 0.000 2.592 168 F HA 0.429 4.956 4.527 0.000 0.000 0.280 168 F C 1.994 177.793 175.800 -0.002 0.000 1.083 168 F CA 0.589 58.586 58.000 -0.005 0.000 1.365 168 F CB 0.220 39.215 39.000 -0.007 0.000 1.100 168 F HN 0.551 nan 8.300 nan 0.000 0.633 169 G N 0.273 109.176 108.800 0.172 0.000 2.202 169 G HA2 0.224 4.184 3.960 0.000 0.000 0.251 169 G HA3 0.224 4.184 3.960 0.000 0.000 0.251 169 G C -0.856 174.075 174.900 0.052 0.000 1.219 169 G CA 0.622 45.781 45.100 0.099 0.000 0.943 169 G HN 0.391 nan 8.290 nan 0.000 0.465 170 W N 1.581 122.907 121.300 0.043 0.000 2.802 170 W HA 0.679 5.339 4.660 0.000 0.000 0.331 170 W C -0.053 176.498 176.519 0.053 0.000 1.021 170 W CA -1.988 55.395 57.345 0.064 0.000 1.259 170 W CB -0.347 29.142 29.460 0.048 0.000 1.323 170 W HN 1.188 nan 8.180 nan 0.000 0.432 171 F N 1.080 121.078 119.950 0.080 0.000 2.628 171 F HA 0.483 5.010 4.527 0.000 0.000 0.362 171 F C 0.382 176.207 175.800 0.041 0.000 1.148 171 F CA -0.176 57.860 58.000 0.060 0.000 1.352 171 F CB -0.227 38.836 39.000 0.105 0.000 1.081 171 F HN 1.894 nan 8.300 nan 0.000 0.605 172 W N 0.905 122.221 121.300 0.026 0.000 2.715 172 W HA 0.650 5.310 4.660 0.000 0.000 0.331 172 W C -0.120 176.409 176.519 0.016 0.000 1.031 172 W CA -1.952 55.405 57.345 0.019 0.000 1.237 172 W CB -0.459 29.008 29.460 0.012 0.000 1.378 172 W HN 2.241 nan 8.180 nan 0.000 0.454 173 F N 2.369 122.329 119.950 0.017 0.000 2.264 173 F HA 0.421 4.948 4.527 0.000 0.000 0.397 173 F C 0.501 176.306 175.800 0.008 0.000 0.979 173 F CA 0.578 58.586 58.000 0.014 0.000 0.973 173 F CB -1.515 37.491 39.000 0.010 0.000 0.825 173 F HN 1.527 nan 8.300 nan 0.000 0.508 183 N N 0.987 119.676 118.700 -0.018 0.000 2.551 183 N HA 0.543 5.283 4.740 0.000 0.000 0.199 183 N C 0.703 176.202 175.510 -0.019 0.000 1.277 183 N CA 1.292 54.331 53.050 -0.017 0.000 0.870 183 N CB -0.483 37.995 38.487 -0.015 0.000 1.028 183 N HN 1.718 nan 8.380 nan 0.000 0.452 184 V N -1.268 118.633 119.914 -0.022 0.000 3.385 184 V HA 0.726 4.846 4.120 0.000 0.000 0.301 184 V C 1.214 177.294 176.094 -0.023 0.000 1.082 184 V CA -0.254 62.031 62.300 -0.024 0.000 1.085 184 V CB -0.126 31.680 31.823 -0.028 0.000 1.152 184 V HN 0.664 nan 8.190 nan 0.000 0.465 185 S N 1.295 116.981 115.700 -0.024 0.000 2.563 185 S HA 0.437 4.908 4.470 0.000 0.000 0.294 185 S C 0.992 175.579 174.600 -0.020 0.000 1.279 185 S CA 0.147 58.334 58.200 -0.021 0.000 1.069 185 S CB -0.508 62.678 63.200 -0.023 0.000 0.828 185 S HN 2.282 nan 8.310 nan 0.000 0.497 186 G N 0.691 109.481 108.800 -0.018 0.000 2.118 186 G HA2 0.583 4.543 3.960 0.000 0.000 0.268 186 G HA3 0.583 4.543 3.960 0.000 0.000 0.268 186 G C -0.023 174.867 174.900 -0.016 0.000 1.006 186 G CA 0.913 46.004 45.100 -0.016 0.000 1.066 186 G HN 2.157 nan 8.290 nan 0.000 0.388 187 M N 0.778 120.368 119.600 -0.017 0.000 2.523 187 M HA 0.732 5.212 4.480 0.000 0.000 0.287 187 M C 0.005 176.297 176.300 -0.013 0.000 1.160 187 M CA -0.199 55.092 55.300 -0.015 0.000 0.902 187 M CB -0.186 32.403 32.600 -0.020 0.000 1.752 187 M HN 1.778 nan 8.290 nan 0.000 0.504 188 N N 0.964 119.660 118.700 -0.008 0.000 2.292 188 N HA 0.513 5.253 4.740 0.000 0.000 0.242 188 N C 1.390 176.900 175.510 0.000 0.000 1.243 188 N CA 1.285 54.334 53.050 -0.003 0.000 0.851 188 N CB -0.137 nan 38.487 nan 0.000 1.093 188 N HN 2.499 nan 8.380 nan 0.000 0.450 189 T N -0.973 113.581 114.554 0.000 0.000 2.760 189 T HA 0.040 4.390 4.350 0.000 0.000 0.269 189 T C 2.124 176.852 174.700 0.047 0.000 1.047 189 T CA 3.326 65.430 62.100 0.007 0.000 1.139 189 T CB -1.076 67.784 68.868 -0.012 0.000 0.855 189 T HN 1.247 nan 8.240 nan 0.000 0.471 190 F N 1.212 121.191 119.950 0.049 0.000 2.128 190 F HA 0.383 4.910 4.527 0.000 0.000 0.295 190 F C 2.899 178.710 175.800 0.019 0.000 1.100 190 F CA 1.046 59.083 58.000 0.061 0.000 1.260 190 F CB -1.207 37.833 39.000 0.067 0.000 1.009 190 F HN 0.426 nan 8.300 nan 0.000 0.476 191 G N -0.854 107.946 108.800 0.001 0.000 2.679 191 G HA2 0.213 4.173 3.960 0.000 0.000 0.212 191 G HA3 0.213 4.173 3.960 0.000 0.000 0.212 191 G C 1.722 176.600 174.900 -0.037 0.000 1.137 191 G CA 1.175 46.258 45.100 -0.028 0.000 0.787 191 G HN 0.936 nan 8.290 nan 0.000 0.534 192 A N 0.418 123.227 122.820 -0.019 0.000 1.943 192 A HA 0.419 4.740 4.320 0.000 0.000 0.213 192 A C 2.576 180.145 177.584 -0.026 0.000 1.181 192 A CA 1.236 53.260 52.037 -0.023 0.000 0.653 192 A CB -0.381 18.611 19.000 -0.013 0.000 0.833 192 A HN 0.706 nan 8.150 nan 0.000 0.451 193 I N -0.759 119.809 120.570 -0.004 0.000 2.546 193 I HA -0.124 4.046 4.170 0.000 0.000 0.255 193 I C 2.222 178.292 176.117 -0.079 0.000 1.163 193 I CA 1.957 63.252 61.300 -0.007 0.000 1.457 193 I CB -1.470 36.569 38.000 0.065 0.000 1.092 193 I HN 0.560 nan 8.210 nan 0.000 0.434 194 Q N 1.076 120.805 119.800 -0.117 0.000 2.124 194 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 194 Q C 2.506 178.395 176.000 -0.186 0.000 0.977 194 Q CA 2.002 57.666 55.803 -0.231 0.000 0.850 194 Q CB -0.201 28.385 28.738 -0.254 0.000 0.901 194 Q HN 0.918 nan 8.270 nan 0.000 0.429 195 S N -0.890 114.737 115.700 -0.123 0.000 2.522 195 S HA -0.003 4.467 4.470 0.000 0.000 0.227 195 S C 1.667 176.209 174.600 -0.097 0.000 0.986 195 S CA 0.830 58.971 58.200 -0.098 0.000 0.929 195 S CB 0.067 63.222 63.200 -0.075 0.000 0.769 195 S HN 0.173 nan 8.310 nan 0.000 0.529 196 T N 2.480 116.966 114.554 -0.112 0.000 3.035 196 T HA 0.303 4.653 4.350 0.000 0.000 0.259 196 T C 1.549 176.146 174.700 -0.170 0.000 1.078 196 T CA 0.360 62.374 62.100 -0.144 0.000 1.132 196 T CB -0.278 68.498 68.868 -0.154 0.000 0.900 196 T HN 0.293 nan 8.240 nan 0.000 0.480 197 L N 1.351 122.490 121.223 -0.140 0.000 2.201 197 L HA -0.032 4.308 4.340 0.000 0.000 0.212 197 L C 1.984 178.852 176.870 -0.004 0.000 1.105 197 L CA 0.739 55.518 54.840 -0.100 0.000 0.775 197 L CB -0.657 41.341 42.059 -0.103 0.000 0.913 197 L HN 0.178 nan 8.230 nan 0.000 0.440 198 N N -0.654 118.048 118.700 0.003 0.000 2.588 198 N HA -0.122 4.618 4.740 0.000 0.000 0.190 198 N C 1.425 177.021 175.510 0.143 0.000 1.094 198 N CA 0.795 53.912 53.050 0.111 0.000 0.921 198 N CB -0.020 38.477 38.487 0.016 0.000 0.959 198 N HN 0.176 nan 8.380 nan 0.000 0.448 199 V N -1.108 118.828 119.914 0.036 0.000 3.013 199 V HA -0.007 4.113 4.120 0.000 0.000 0.238 199 V C 2.145 178.220 176.094 -0.032 0.000 1.161 199 V CA 1.496 63.791 62.300 -0.009 0.000 1.170 199 V CB -0.208 31.544 31.823 -0.118 0.000 0.917 199 V HN 0.368 nan 8.190 nan 0.000 0.478 200 T N -1.127 113.330 114.554 -0.161 0.000 2.937 200 T HA 0.028 4.379 4.350 0.000 0.000 0.260 200 T C 1.923 176.644 174.700 0.035 0.000 1.051 200 T CA 0.881 62.819 62.100 -0.271 0.000 1.141 200 T CB -0.356 68.122 68.868 -0.650 0.000 0.879 200 T HN 0.265 nan 8.240 nan 0.000 0.459 201 L N -1.149 120.123 121.223 0.082 0.000 2.079 201 L HA 0.007 4.347 4.340 0.000 0.000 0.210 201 L C 2.269 179.175 176.870 0.059 0.000 1.081 201 L CA 1.432 56.360 54.840 0.148 0.000 0.752 201 L CB -0.574 41.481 42.059 -0.006 0.000 0.896 201 L HN 0.364 nan 8.230 nan 0.000 0.433 202 W N -0.844 120.539 121.300 0.138 0.000 3.256 202 W HA 0.003 4.664 4.660 0.000 0.000 0.269 202 W C 2.493 179.078 176.519 0.111 0.000 1.310 202 W CA 0.529 57.939 57.345 0.108 0.000 1.673 202 W CB -0.199 29.284 29.460 0.038 0.000 1.115 202 W HN 0.116 nan 8.180 nan 0.000 0.686 203 S N -1.012 114.835 115.700 0.246 0.000 2.603 203 S HA 0.015 4.486 4.470 0.000 0.000 0.220 203 S C 0.655 175.307 174.600 0.087 0.000 0.967 203 S CA 0.271 58.535 58.200 0.106 0.000 0.920 203 S CB -0.583 62.547 63.200 -0.117 0.000 0.773 203 S HN 0.111 nan 8.310 nan 0.000 0.529 204 F N 1.414 121.571 119.950 0.344 0.000 2.908 204 F HA 0.529 5.057 4.527 0.000 0.000 0.328 204 F C 0.394 176.332 175.800 0.230 0.000 1.211 204 F CA -1.111 57.067 58.000 0.297 0.000 1.291 204 F CB 0.214 39.379 39.000 0.274 0.000 0.962 204 F HN 0.146 nan 8.300 nan 0.000 0.505 205 I N 0.221 121.038 120.570 0.412 0.000 3.731 205 I HA 0.125 4.295 4.170 0.000 0.000 0.316 205 I C 1.535 177.967 176.117 0.525 0.000 1.395 205 I CA 0.359 61.940 61.300 0.468 0.000 1.294 205 I CB -0.556 37.714 38.000 0.452 0.000 1.238 205 I HN 0.343 nan 8.210 nan 0.000 0.437 206 G N 0.773 109.834 108.800 0.435 0.000 2.833 206 G HA2 0.168 4.128 3.960 0.000 0.000 0.214 206 G HA3 0.168 4.128 3.960 0.000 0.000 0.214 206 G C 0.815 175.830 174.900 0.192 0.000 1.075 206 G CA 0.084 45.385 45.100 0.335 0.000 0.799 206 G HN 0.230 nan 8.290 nan 0.000 0.541 207 V N -0.243 119.799 119.914 0.214 0.000 3.930 207 V HA 0.251 4.371 4.120 0.000 0.000 0.279 207 V C 1.390 177.441 176.094 -0.072 0.000 1.009 207 V CA 0.794 63.133 62.300 0.065 0.000 1.018 207 V CB -0.158 31.692 31.823 0.045 0.000 1.220 207 V HN 0.667 nan 8.190 nan 0.000 0.448 208 E N -2.108 117.871 120.200 -0.367 0.000 3.049 208 E HA -0.292 4.058 4.350 0.000 0.000 0.272 208 E C 1.034 177.476 176.600 -0.263 0.000 1.051 208 E CA 1.525 57.576 56.400 -0.583 0.000 0.813 208 E CB -2.663 26.475 29.700 -0.936 0.000 1.409 208 E HN 0.596 nan 8.360 nan 0.000 0.454 209 S N -0.737 114.852 115.700 -0.183 0.000 2.387 209 S HA 0.094 4.564 4.470 0.000 0.000 0.226 209 S C 1.986 176.510 174.600 -0.126 0.000 1.026 209 S CA 0.946 59.029 58.200 -0.194 0.000 0.972 209 S CB -0.137 62.936 63.200 -0.213 0.000 0.814 209 S HN 0.673 nan 8.310 nan 0.000 0.477 210 A N 1.107 123.880 122.820 -0.078 0.000 1.930 210 A HA 0.064 4.384 4.320 0.000 0.000 0.215 210 A C 2.261 179.845 177.584 -0.001 0.000 1.176 210 A CA 1.261 53.281 52.037 -0.029 0.000 0.632 210 A CB -0.713 18.286 19.000 -0.001 0.000 0.819 210 A HN 0.400 nan 8.150 nan 0.000 0.445 211 S N 0.038 115.748 115.700 0.017 0.000 2.353 211 S HA -0.192 4.278 4.470 0.000 0.000 0.222 211 S C 2.024 176.619 174.600 -0.008 0.000 1.035 211 S CA 1.979 60.235 58.200 0.093 0.000 1.025 211 S CB -0.817 62.537 63.200 0.255 0.000 0.902 211 S HN 0.892 nan 8.310 nan 0.000 0.440 212 V N 0.102 119.966 119.914 -0.083 0.000 2.809 212 V HA 0.156 4.277 4.120 0.000 0.000 0.256 212 V C 2.115 178.180 176.094 -0.048 0.000 1.080 212 V CA 1.242 63.480 62.300 -0.103 0.000 1.102 212 V CB -1.293 30.442 31.823 -0.146 0.000 0.705 212 V HN 0.410 nan 8.190 nan 0.000 0.475 213 A N 0.783 123.579 122.820 -0.040 0.000 2.119 213 A HA 0.498 4.818 4.320 0.000 0.000 0.217 213 A C 1.716 179.299 177.584 -0.002 0.000 1.153 213 A CA 0.817 52.840 52.037 -0.023 0.000 0.692 213 A CB -0.776 18.204 19.000 -0.034 0.000 0.799 213 A HN 1.021 nan 8.150 nan 0.000 0.458 214 A N -1.905 120.918 122.820 0.005 0.000 2.482 214 A HA 0.412 4.732 4.320 0.000 0.000 0.249 214 A C 1.910 179.505 177.584 0.017 0.000 1.114 214 A CA 0.790 52.840 52.037 0.020 0.000 0.797 214 A CB -0.713 18.311 19.000 0.039 0.000 1.067 214 A HN 2.001 nan 8.150 nan 0.000 0.514 215 G N -1.641 107.173 108.800 0.024 0.000 3.444 215 G HA2 -0.270 3.690 3.960 0.000 0.000 0.222 215 G HA3 -0.270 3.690 3.960 0.000 0.000 0.222 215 G C 0.790 175.705 174.900 0.024 0.000 1.358 215 G CA 0.858 45.973 45.100 0.025 0.000 0.880 215 G HN 1.493 nan 8.290 nan 0.000 0.555 216 V N 0.398 120.324 119.914 0.022 0.000 4.410 216 V HA 0.567 4.687 4.120 0.000 0.000 0.268 216 V C 2.390 178.495 176.094 0.018 0.000 1.081 216 V CA 0.730 63.042 62.300 0.021 0.000 0.733 216 V CB 0.450 32.286 31.823 0.020 0.000 1.170 216 V HN 1.368 nan 8.190 nan 0.000 0.374 217 V N -2.312 117.611 119.914 0.016 0.000 0.429 217 V HA -0.379 3.741 4.120 0.000 0.000 0.092 217 V C 0.759 176.863 176.094 0.017 0.000 2.611 217 V CA 2.141 64.450 62.300 0.015 0.000 3.746 217 V CB -1.870 29.961 31.823 0.015 0.000 1.016 217 V HN 1.055 nan 8.190 nan 0.000 1.067 218 K N -1.568 118.843 120.400 0.019 0.000 0.828 218 K HA -0.240 4.080 4.320 0.000 0.000 0.748 218 K C 0.361 176.972 176.600 0.018 0.000 2.472 218 K CA 1.194 57.492 56.287 0.019 0.000 1.651 218 K CB -0.772 31.739 32.500 0.017 0.000 2.739 218 K HN 1.248 nan 8.250 nan 0.000 0.233 219 N N -2.939 115.772 118.700 0.018 0.000 2.708 219 N HA -0.206 4.534 4.740 0.000 0.000 0.251 219 N C -2.572 172.949 175.510 0.019 0.000 1.017 219 N CA 0.961 54.021 53.050 0.017 0.000 0.742 219 N CB -1.245 37.252 38.487 0.016 0.000 0.943 219 N HN 0.331 nan 8.380 nan 0.000 0.539 220 P HA 0.113 nan 4.420 nan 0.000 0.318 220 P C 0.673 177.987 177.300 0.023 0.000 1.309 220 P CA -0.361 62.755 63.100 0.025 0.000 0.736 220 P CB 0.356 32.074 31.700 0.030 0.000 1.440 221 K N -2.799 117.616 120.400 0.025 0.000 3.595 221 K HA -0.245 4.075 4.320 0.000 0.000 0.284 221 K C 1.346 177.956 176.600 0.016 0.000 1.150 221 K CA 1.257 57.553 56.287 0.016 0.000 1.056 221 K CB -0.583 31.923 32.500 0.010 0.000 1.354 221 K HN 0.262 nan 8.250 nan 0.000 0.448 222 R N -1.324 119.188 120.500 0.020 0.000 2.977 222 R HA 0.236 4.576 4.340 0.000 0.000 0.161 222 R C 1.390 177.704 176.300 0.022 0.000 0.805 222 R CA 0.583 56.695 56.100 0.020 0.000 1.044 222 R CB -0.796 29.514 30.300 0.018 0.000 1.433 222 R HN 0.192 nan 8.270 nan 0.000 0.570 223 N N 1.137 119.849 118.700 0.021 0.000 2.104 223 N HA -0.135 4.605 4.740 0.000 0.000 0.190 223 N C 1.831 177.355 175.510 0.024 0.000 1.024 223 N CA 1.663 54.726 53.050 0.020 0.000 0.853 223 N CB 0.077 38.575 38.487 0.018 0.000 1.008 223 N HN -0.079 nan 8.380 nan 0.000 0.424 224 V N 2.025 121.957 119.914 0.030 0.000 2.237 224 V HA -0.150 3.970 4.120 0.000 0.000 0.245 224 V C -0.845 175.276 176.094 0.046 0.000 1.046 224 V CA 1.850 64.174 62.300 0.039 0.000 1.007 224 V CB -1.384 30.473 31.823 0.056 0.000 0.638 224 V HN 0.206 nan 8.190 nan 0.000 0.445 225 P HA -0.117 nan 4.420 nan 0.000 0.218 225 P C 1.725 179.048 177.300 0.039 0.000 1.148 225 P CA 1.528 64.657 63.100 0.048 0.000 0.822 225 P CB -0.037 31.685 31.700 0.038 0.000 0.784 226 I N -0.834 119.754 120.570 0.029 0.000 2.233 226 I HA -0.180 3.990 4.170 0.000 0.000 0.243 226 I C 2.309 178.438 176.117 0.019 0.000 1.093 226 I CA 1.329 62.642 61.300 0.022 0.000 1.380 226 I CB -0.782 37.229 38.000 0.018 0.000 1.067 226 I HN -0.096 nan 8.210 nan 0.000 0.413 227 A N 0.314 123.146 122.820 0.019 0.000 1.969 227 A HA -0.166 4.154 4.320 0.000 0.000 0.218 227 A C 2.347 179.941 177.584 0.016 0.000 1.169 227 A CA 2.158 54.203 52.037 0.014 0.000 0.635 227 A CB -0.974 18.032 19.000 0.010 0.000 0.810 227 A HN 0.368 nan 8.150 nan 0.000 0.445 228 T N 0.268 114.838 114.554 0.027 0.000 2.746 228 T HA -0.077 4.273 4.350 0.000 0.000 0.267 228 T C 1.682 176.399 174.700 0.028 0.000 1.039 228 T CA 1.423 63.544 62.100 0.034 0.000 1.142 228 T CB -0.186 68.724 68.868 0.070 0.000 0.866 228 T HN 0.331 nan 8.240 nan 0.000 0.444 229 I N 0.932 121.516 120.570 0.023 0.000 2.703 229 I HA 0.111 4.282 4.170 0.000 0.000 0.259 229 I C 2.776 178.893 176.117 -0.001 0.000 1.151 229 I CA 0.767 62.072 61.300 0.008 0.000 1.470 229 I CB -1.715 36.290 38.000 0.009 0.000 1.112 229 I HN 0.264 nan 8.210 nan 0.000 0.437 230 G N 1.276 110.079 108.800 0.005 0.000 2.453 230 G HA2 -0.195 3.766 3.960 0.000 0.000 0.215 230 G HA3 -0.195 3.766 3.960 0.000 0.000 0.215 230 G C 1.737 176.638 174.900 0.002 0.000 1.201 230 G CA 0.906 46.007 45.100 0.002 0.000 0.784 230 G HN 0.422 nan 8.290 nan 0.000 0.545 231 G N 0.275 109.080 108.800 0.008 0.000 2.469 231 G HA2 -0.194 3.767 3.960 0.000 0.000 0.219 231 G HA3 -0.194 3.767 3.960 0.000 0.000 0.219 231 G C 1.812 176.728 174.900 0.027 0.000 1.150 231 G CA 1.456 46.565 45.100 0.014 0.000 0.763 231 G HN 0.353 nan 8.290 nan 0.000 0.561 232 V N 0.532 120.464 119.914 0.030 0.000 2.261 232 V HA -0.105 4.015 4.120 0.000 0.000 0.246 232 V C 2.727 178.827 176.094 0.009 0.000 1.047 232 V CA 1.641 63.962 62.300 0.036 0.000 1.015 232 V CB -0.479 31.316 31.823 -0.046 0.000 0.642 232 V HN 0.327 nan 8.190 nan 0.000 0.446 233 L N -0.871 120.340 121.223 -0.021 0.000 2.265 233 L HA -0.103 4.237 4.340 0.000 0.000 0.215 233 L C 2.041 178.897 176.870 -0.023 0.000 1.117 233 L CA 1.426 56.249 54.840 -0.028 0.000 0.782 233 L CB -0.192 41.850 42.059 -0.029 0.000 0.914 233 L HN 0.258 nan 8.230 nan 0.000 0.441 234 I N -1.292 119.267 120.570 -0.020 0.000 2.235 234 I HA -0.183 3.987 4.170 0.000 0.000 0.241 234 I C 2.406 178.477 176.117 -0.076 0.000 1.085 234 I CA 1.037 62.317 61.300 -0.034 0.000 1.378 234 I CB -0.359 37.627 38.000 -0.022 0.000 1.076 234 I HN 0.221 nan 8.210 nan 0.000 0.415 235 A N 0.440 123.206 122.820 -0.091 0.000 2.119 235 A HA 0.090 4.410 4.320 0.000 0.000 0.217 235 A C 2.362 179.717 177.584 -0.382 0.000 1.153 235 A CA 1.277 53.138 52.037 -0.292 0.000 0.692 235 A CB -0.446 18.387 19.000 -0.279 0.000 0.799 235 A HN 0.424 nan 8.150 nan 0.000 0.458 236 A N -0.659 122.147 122.820 -0.023 0.000 1.930 236 A HA 0.130 4.450 4.320 0.000 0.000 0.215 236 A C 2.133 179.686 177.584 -0.053 0.000 1.176 236 A CA 1.416 53.521 52.037 0.112 0.000 0.632 236 A CB -0.606 18.450 19.000 0.094 0.000 0.819 236 A HN 0.276 nan 8.150 nan 0.000 0.445 237 V N -0.664 119.206 119.914 -0.073 0.000 2.307 237 V HA -0.295 3.825 4.120 0.000 0.000 0.245 237 V C 2.667 178.702 176.094 -0.097 0.000 1.045 237 V CA 2.026 64.282 62.300 -0.074 0.000 1.024 237 V CB -0.970 30.826 31.823 -0.045 0.000 0.651 237 V HN 0.706 nan 8.190 nan 0.000 0.449 238 C N -0.896 118.334 119.300 -0.117 0.000 2.398 238 C HA -0.246 4.214 4.460 0.000 0.000 0.276 238 C C 2.487 177.448 174.990 -0.047 0.000 1.222 238 C CA 1.231 60.196 59.018 -0.087 0.000 1.746 238 C CB -1.233 26.441 27.740 -0.110 0.000 2.039 238 C HN 0.593 nan 8.230 nan 0.000 0.470 239 Y N 0.231 120.374 120.300 -0.260 0.000 2.070 239 Y HA -0.205 4.345 4.550 0.000 0.000 0.279 239 Y C 2.554 178.036 175.900 -0.697 0.000 1.134 239 Y CA 1.141 58.940 58.100 -0.501 0.000 1.113 239 Y CB -0.488 37.511 38.460 -0.769 0.000 0.981 239 Y HN 0.117 nan 8.280 nan 0.000 0.487 240 V N 0.376 119.936 119.914 -0.589 0.000 3.141 240 V HA -0.199 3.921 4.120 0.000 0.000 0.265 240 V C 1.245 177.206 176.094 -0.222 0.000 1.126 240 V CA 1.148 63.096 62.300 -0.587 0.000 1.141 240 V CB -0.421 31.134 31.823 -0.446 0.000 0.743 240 V HN 0.376 nan 8.190 nan 0.000 0.492 241 L N -0.631 120.514 121.223 -0.131 0.000 2.928 241 L HA 0.285 4.625 4.340 0.000 0.000 0.246 241 L C 1.494 178.324 176.870 -0.067 0.000 1.239 241 L CA 0.418 55.257 54.840 -0.002 0.000 1.035 241 L CB 0.505 42.598 42.059 0.058 0.000 1.360 241 L HN 0.325 nan 8.230 nan 0.000 0.529 242 S N -1.370 114.250 115.700 -0.134 0.000 3.265 242 S HA -0.070 4.400 4.470 0.000 0.000 0.259 242 S C 1.841 176.320 174.600 -0.202 0.000 1.089 242 S CA 0.726 58.828 58.200 -0.163 0.000 0.811 242 S CB 0.111 63.250 63.200 -0.102 0.000 0.858 242 S HN 0.437 nan 8.310 nan 0.000 0.452 243 T N 0.561 115.014 114.554 -0.169 0.000 3.035 243 T HA -0.035 4.315 4.350 0.000 0.000 0.268 243 T C 1.799 176.454 174.700 -0.076 0.000 1.109 243 T CA 1.872 63.911 62.100 -0.102 0.000 1.119 243 T CB -0.854 68.052 68.868 0.064 0.000 0.900 243 T HN 0.564 nan 8.240 nan 0.000 0.503 244 T N -0.437 114.059 114.554 -0.097 0.000 3.010 244 T HA 0.414 4.764 4.350 0.000 0.000 0.252 244 T C 2.050 176.651 174.700 -0.166 0.000 1.047 244 T CA 0.372 62.444 62.100 -0.045 0.000 1.140 244 T CB -0.547 68.356 68.868 0.059 0.000 0.885 244 T HN 0.413 nan 8.240 nan 0.000 0.464 245 A N 0.290 122.898 122.820 -0.353 0.000 2.265 245 A HA 0.535 4.855 4.320 0.000 0.000 0.213 245 A C 1.687 179.052 177.584 -0.364 0.000 1.255 245 A CA 0.175 51.841 52.037 -0.618 0.000 0.862 245 A CB -0.883 17.620 19.000 -0.829 0.000 0.852 245 A HN 0.657 nan 8.150 nan 0.000 0.484 246 I N -2.845 117.573 120.570 -0.255 0.000 4.547 246 I HA 0.096 4.266 4.170 0.000 0.000 0.303 246 I C 0.919 176.954 176.117 -0.138 0.000 1.188 246 I CA 0.064 61.235 61.300 -0.215 0.000 1.320 246 I CB 0.065 37.870 38.000 -0.324 0.000 1.495 246 I HN 0.132 nan 8.210 nan 0.000 0.462 247 M N 2.386 121.921 119.600 -0.108 0.000 3.201 247 M HA 0.242 4.723 4.480 0.000 0.000 0.194 247 M C 0.194 176.473 176.300 -0.035 0.000 1.313 247 M CA 0.263 55.530 55.300 -0.055 0.000 1.332 247 M CB -1.483 31.104 32.600 -0.022 0.000 1.542 247 M HN 0.323 nan 8.290 nan 0.000 0.428 248 G N 1.991 110.759 108.800 -0.053 0.000 2.145 248 G HA2 0.113 4.073 3.960 0.000 0.000 0.174 248 G HA3 0.113 4.073 3.960 0.000 0.000 0.174 248 G C -0.482 174.376 174.900 -0.070 0.000 1.726 248 G CA -0.308 44.773 45.100 -0.032 0.000 1.080 248 G HN 0.365 nan 8.290 nan 0.000 0.606 249 M N 1.907 121.471 119.600 -0.059 0.000 2.268 249 M HA 0.393 4.873 4.480 0.000 0.000 0.355 249 M C 1.358 177.642 176.300 -0.026 0.000 0.938 249 M CA 0.092 55.376 55.300 -0.028 0.000 1.025 249 M CB -1.363 31.234 32.600 -0.006 0.000 1.773 249 M HN 0.373 nan 8.290 nan 0.000 0.613 250 I N 2.665 123.212 120.570 -0.038 0.000 2.068 250 I HA -0.148 4.022 4.170 0.000 0.000 0.238 250 I C -0.585 175.535 176.117 0.005 0.000 1.046 250 I CA 1.753 63.046 61.300 -0.012 0.000 1.306 250 I CB -1.626 36.375 38.000 0.002 0.000 1.023 250 I HN 0.273 nan 8.210 nan 0.000 0.399 251 P HA 0.120 nan 4.420 nan 0.000 0.288 251 P C -0.819 176.481 177.300 0.001 0.000 1.682 251 P CA -0.290 62.820 63.100 0.017 0.000 1.270 251 P CB -0.434 31.298 31.700 0.053 0.000 1.596 252 N N 0.133 118.828 118.700 -0.008 0.000 2.371 252 N HA 0.219 4.959 4.740 0.000 0.000 0.243 252 N C 0.204 175.711 175.510 -0.005 0.000 1.287 252 N CA -0.401 52.643 53.050 -0.010 0.000 0.911 252 N CB 1.050 39.531 38.487 -0.011 0.000 1.142 252 N HN -0.102 nan 8.380 nan 0.000 0.451 253 A N 0.391 123.207 122.820 -0.006 0.000 2.260 253 A HA 0.476 4.796 4.320 0.000 0.000 0.278 253 A C 1.554 179.131 177.584 -0.011 0.000 1.269 253 A CA 0.265 52.297 52.037 -0.008 0.000 0.824 253 A CB -0.644 18.352 19.000 -0.007 0.000 1.238 253 A HN 0.901 nan 8.150 nan 0.000 0.507 254 A N -1.161 121.652 122.820 -0.013 0.000 1.917 254 A HA -0.082 4.238 4.320 0.000 0.000 0.219 254 A C 1.602 179.177 177.584 -0.016 0.000 1.182 254 A CA 1.764 53.791 52.037 -0.017 0.000 0.633 254 A CB -0.851 18.139 19.000 -0.018 0.000 0.819 254 A HN 0.667 nan 8.150 nan 0.000 0.448 255 L N -0.770 120.446 121.223 -0.012 0.000 2.682 255 L HA 0.063 4.403 4.340 0.000 0.000 0.240 255 L C 2.101 178.967 176.870 -0.006 0.000 1.178 255 L CA -0.167 54.668 54.840 -0.009 0.000 0.970 255 L CB -0.279 41.775 42.059 -0.008 0.000 1.179 255 L HN 0.280 nan 8.230 nan 0.000 0.435 256 R N -0.828 119.668 120.500 -0.006 0.000 2.167 256 R HA 0.104 4.444 4.340 0.000 0.000 0.201 256 R C 1.879 178.181 176.300 0.003 0.000 1.024 256 R CA 0.753 56.852 56.100 -0.001 0.000 1.053 256 R CB 0.142 30.442 30.300 -0.001 0.000 0.987 256 R HN 0.206 nan 8.270 nan 0.000 0.493 257 V N 0.009 119.923 119.914 0.001 0.000 2.992 257 V HA 0.019 4.139 4.120 0.000 0.000 0.250 257 V C 2.151 178.242 176.094 -0.005 0.000 1.090 257 V CA 1.151 63.456 62.300 0.008 0.000 1.101 257 V CB -0.098 31.724 31.823 -0.001 0.000 0.743 257 V HN 0.211 nan 8.190 nan 0.000 0.468 258 S N 0.530 116.222 115.700 -0.014 0.000 2.462 258 S HA -0.166 4.304 4.470 0.000 0.000 0.243 258 S C 1.817 176.416 174.600 -0.002 0.000 1.003 258 S CA 1.775 59.965 58.200 -0.017 0.000 0.970 258 S CB -0.073 63.116 63.200 -0.017 0.000 0.762 258 S HN 0.668 nan 8.310 nan 0.000 0.510 259 A N 0.434 123.258 122.820 0.007 0.000 1.969 259 A HA 0.404 4.725 4.320 0.000 0.000 0.205 259 A C 1.092 178.694 177.584 0.029 0.000 1.364 259 A CA 0.545 52.592 52.037 0.016 0.000 0.756 259 A CB -0.293 18.713 19.000 0.009 0.000 0.988 259 A HN 0.635 nan 8.150 nan 0.000 0.490 260 S N 0.914 116.628 115.700 0.023 0.000 2.489 260 S HA 0.600 5.070 4.470 0.000 0.000 0.291 260 S C -3.059 171.570 174.600 0.048 0.000 1.151 260 S CA -1.569 56.645 58.200 0.024 0.000 1.082 260 S CB 0.935 64.132 63.200 -0.004 0.000 1.019 260 S HN 0.077 nan 8.310 nan 0.000 0.492 261 P HA 0.140 nan 4.420 nan 0.000 0.266 261 P C -0.237 177.109 177.300 0.078 0.000 1.215 261 P CA -0.263 62.924 63.100 0.146 0.000 0.763 261 P CB -0.060 31.727 31.700 0.144 0.000 0.806 262 F N 3.444 123.384 119.950 -0.016 0.000 2.586 262 F HA 0.303 4.830 4.527 0.000 0.000 0.344 262 F C 1.386 177.137 175.800 -0.082 0.000 1.188 262 F CA 2.124 60.090 58.000 -0.056 0.000 1.359 262 F CB 0.279 39.242 39.000 -0.061 0.000 1.129 262 F HN 0.573 nan 8.300 nan 0.000 0.609 263 G N 2.745 110.629 108.800 -1.526 0.000 3.620 263 G HA2 -0.177 3.783 3.960 0.000 0.000 0.112 263 G HA3 -0.177 3.783 3.960 0.000 0.000 0.112 263 G C 0.546 174.876 174.900 -0.950 0.000 2.274 263 G CA 0.175 44.574 45.100 -1.168 0.000 1.052 263 G HN 0.544 nan 8.290 nan 0.000 0.298 264 D N 1.581 121.606 120.400 -0.624 0.000 2.355 264 D HA 0.232 4.872 4.640 0.000 0.000 0.218 264 D C 2.353 178.463 176.300 -0.315 0.000 1.004 264 D CA 0.834 54.575 54.000 -0.432 0.000 0.880 264 D CB 0.370 40.974 40.800 -0.326 0.000 0.911 264 D HN 0.371 nan 8.370 nan 0.000 0.528 265 A N 0.580 123.195 122.820 -0.341 0.000 2.209 265 A HA 0.146 4.466 4.320 0.000 0.000 0.212 265 A C 1.867 179.451 177.584 0.000 0.000 1.158 265 A CA 0.813 52.782 52.037 -0.113 0.000 0.742 265 A CB 0.030 19.040 19.000 0.016 0.000 0.790 265 A HN 0.161 nan 8.150 nan 0.000 0.472 266 A N -0.590 122.193 122.820 -0.063 0.000 2.379 266 A HA 0.308 4.628 4.320 0.000 0.000 0.236 266 A C 1.363 178.944 177.584 -0.005 0.000 1.272 266 A CA -0.221 51.873 52.037 0.096 0.000 0.886 266 A CB -0.096 19.065 19.000 0.269 0.000 0.962 266 A HN 0.438 nan 8.150 nan 0.000 0.504 267 R N -0.716 119.749 120.500 -0.058 0.000 2.565 267 R HA 0.239 4.579 4.340 0.000 0.000 0.347 267 R C 1.258 177.537 176.300 -0.036 0.000 1.010 267 R CA 0.593 56.660 56.100 -0.054 0.000 1.126 267 R CB 0.065 30.309 30.300 -0.092 0.000 1.331 267 R HN 0.731 nan 8.270 nan 0.000 0.552 268 M N -2.485 117.100 119.600 -0.025 0.000 2.925 268 M HA 0.448 4.928 4.480 0.000 0.000 0.249 268 M C 1.281 177.577 176.300 -0.006 0.000 1.439 268 M CA 0.613 55.903 55.300 -0.017 0.000 1.217 268 M CB 0.401 32.990 32.600 -0.019 0.000 1.245 268 M HN -0.097 nan 8.290 nan 0.000 0.552 269 A N 0.954 123.774 122.820 -0.001 0.000 3.105 269 A HA 0.571 4.891 4.320 0.000 0.000 0.272 269 A C 0.882 178.468 177.584 0.002 0.000 1.466 269 A CA -0.133 51.904 52.037 0.001 0.000 1.101 269 A CB -0.437 18.564 19.000 0.002 0.000 1.065 269 A HN 0.710 nan 8.150 nan 0.000 0.643 270 L N -3.093 118.131 121.223 0.002 0.000 1.414 270 L HA -0.003 4.337 4.340 0.000 0.000 0.494 270 L C 0.807 177.680 176.870 0.005 0.000 0.802 270 L CA 1.115 55.958 54.840 0.005 0.000 2.238 270 L CB -1.135 40.927 42.059 0.005 0.000 1.329 270 L HN 0.513 nan 8.230 nan 0.000 0.505 271 G N 0.493 109.294 108.800 0.001 0.000 2.613 271 G HA2 0.477 4.437 3.960 0.000 0.000 0.303 271 G HA3 0.477 4.437 3.960 0.000 0.000 0.303 271 G C -0.565 174.333 174.900 -0.003 0.000 1.312 271 G CA 0.344 45.444 45.100 -0.000 0.000 1.036 271 G HN 0.272 nan 8.290 nan 0.000 0.513 272 D N -1.197 119.201 120.400 -0.004 0.000 2.398 272 D HA 0.304 4.944 4.640 0.000 0.000 0.247 272 D C 0.788 177.082 176.300 -0.009 0.000 1.227 272 D CA -0.121 53.879 54.000 -0.001 0.000 0.980 272 D CB -0.011 40.793 40.800 0.008 0.000 1.106 272 D HN 0.242 nan 8.370 nan 0.000 0.493 273 T N -0.253 114.300 114.554 -0.001 0.000 3.560 273 T HA 0.508 4.859 4.350 0.000 0.000 0.350 273 T C 0.945 175.643 174.700 -0.002 0.000 1.264 273 T CA 0.129 62.228 62.100 -0.003 0.000 0.924 273 T CB -0.419 68.453 68.868 0.006 0.000 1.997 273 T HN 0.715 nan 8.240 nan 0.000 0.553 274 A N -0.184 122.645 122.820 0.014 0.000 2.227 274 A HA 0.476 4.797 4.320 0.000 0.000 0.279 274 A C 1.328 178.957 177.584 0.075 0.000 1.367 274 A CA 0.145 52.205 52.037 0.038 0.000 0.824 274 A CB -1.440 17.590 19.000 0.050 0.000 1.214 274 A HN 1.876 nan 8.150 nan 0.000 0.514 275 G N -1.865 107.035 108.800 0.167 0.000 2.220 275 G HA2 0.267 4.227 3.960 0.000 0.000 0.248 275 G HA3 0.267 4.227 3.960 0.000 0.000 0.248 275 G C 0.227 175.201 174.900 0.123 0.000 0.791 275 G CA 0.497 45.757 45.100 0.266 0.000 1.197 275 G HN 2.053 nan 8.290 nan 0.000 0.336 276 A N 2.716 125.475 122.820 -0.101 0.000 2.376 276 A HA 0.600 4.920 4.320 0.000 0.000 0.298 276 A C 1.264 178.519 177.584 -0.549 0.000 1.271 276 A CA -0.029 51.726 52.037 -0.470 0.000 0.926 276 A CB 0.416 18.904 19.000 -0.852 0.000 1.141 276 A HN 1.329 nan 8.150 nan 0.000 0.539 277 I N 3.526 123.994 120.570 -0.171 0.000 3.564 277 I HA -0.044 4.126 4.170 0.000 0.000 0.294 277 I C 1.101 177.189 176.117 -0.049 0.000 1.289 277 I CA 0.323 61.658 61.300 0.058 0.000 1.325 277 I CB 0.182 38.308 38.000 0.211 0.000 1.039 277 I HN 0.500 nan 8.210 nan 0.000 0.474 278 V N -0.070 119.705 119.914 -0.232 0.000 2.244 278 V HA -0.246 3.874 4.120 0.000 0.000 0.244 278 V C 2.341 178.348 176.094 -0.146 0.000 1.042 278 V CA 2.125 64.327 62.300 -0.164 0.000 1.006 278 V CB -0.517 31.163 31.823 -0.238 0.000 0.641 278 V HN 0.506 nan 8.190 nan 0.000 0.446 279 S N -0.871 114.611 115.700 -0.362 0.000 2.547 279 S HA -0.075 4.395 4.470 0.000 0.000 0.235 279 S C 1.667 176.292 174.600 0.042 0.000 0.980 279 S CA 0.841 58.909 58.200 -0.221 0.000 0.941 279 S CB -0.397 62.528 63.200 -0.459 0.000 0.763 279 S HN 0.471 nan 8.310 nan 0.000 0.532 280 F N 1.047 121.041 119.950 0.073 0.000 2.367 280 F HA 0.112 4.639 4.527 0.000 0.000 0.298 280 F C 2.547 178.413 175.800 0.111 0.000 1.094 280 F CA 0.119 58.192 58.000 0.122 0.000 1.409 280 F CB -0.962 38.111 39.000 0.121 0.000 1.064 280 F HN 0.547 nan 8.300 nan 0.000 0.528 281 C N -2.037 117.425 119.300 0.270 0.000 2.689 281 C HA 0.628 5.088 4.460 0.000 0.000 0.336 281 C C 2.583 177.676 174.990 0.172 0.000 1.304 281 C CA 0.259 59.392 59.018 0.193 0.000 1.860 281 C CB -0.882 26.949 27.740 0.152 0.000 2.405 281 C HN 0.217 nan 8.230 nan 0.000 0.557 282 A N 0.907 123.842 122.820 0.191 0.000 2.248 282 A HA 0.489 4.809 4.320 0.000 0.000 0.210 282 A C 2.203 179.913 177.584 0.210 0.000 1.174 282 A CA 1.453 53.619 52.037 0.215 0.000 0.750 282 A CB -0.639 18.534 19.000 0.288 0.000 0.780 282 A HN 0.941 nan 8.150 nan 0.000 0.478 283 A N -0.904 122.055 122.820 0.232 0.000 2.063 283 A HA 0.504 4.824 4.320 0.000 0.000 0.211 283 A C 2.215 179.853 177.584 0.090 0.000 1.177 283 A CA 1.085 53.222 52.037 0.167 0.000 0.759 283 A CB -0.436 18.737 19.000 0.288 0.000 0.857 283 A HN 0.812 nan 8.150 nan 0.000 0.468 284 A N -0.395 122.497 122.820 0.120 0.000 2.021 284 A HA 0.296 4.617 4.320 0.000 0.000 0.216 284 A C 2.074 179.700 177.584 0.070 0.000 1.163 284 A CA 1.278 53.380 52.037 0.108 0.000 0.676 284 A CB -0.879 18.198 19.000 0.127 0.000 0.818 284 A HN 0.681 nan 8.150 nan 0.000 0.453 285 G N -1.955 106.882 108.800 0.062 0.000 2.776 285 G HA2 0.006 3.966 3.960 0.000 0.000 0.209 285 G HA3 0.006 3.966 3.960 0.000 0.000 0.209 285 G C 1.046 175.947 174.900 0.001 0.000 1.145 285 G CA 1.028 46.156 45.100 0.046 0.000 0.791 285 G HN 0.524 nan 8.290 nan 0.000 0.530 286 C N -0.880 118.391 119.300 -0.048 0.000 3.270 286 C HA 0.451 4.911 4.460 0.000 0.000 0.369 286 C C 2.315 177.223 174.990 -0.136 0.000 1.326 286 C CA -0.096 58.855 59.018 -0.112 0.000 1.846 286 C CB -0.454 27.150 27.740 -0.226 0.000 2.534 286 C HN 0.328 nan 8.230 nan 0.000 0.649 287 L N 0.562 121.714 121.223 -0.118 0.000 2.416 287 L HA 0.263 4.604 4.340 0.000 0.000 0.216 287 L C 2.597 179.222 176.870 -0.407 0.000 1.098 287 L CA 1.274 55.962 54.840 -0.253 0.000 0.840 287 L CB -0.619 41.421 42.059 -0.031 0.000 0.981 287 L HN 0.484 nan 8.230 nan 0.000 0.462 288 G N 0.015 108.752 108.800 -0.105 0.000 2.448 288 G HA2 -0.196 3.765 3.960 0.000 0.000 0.218 288 G HA3 -0.196 3.765 3.960 0.000 0.000 0.218 288 G C 1.630 176.502 174.900 -0.048 0.000 1.135 288 G CA 0.899 45.995 45.100 -0.007 0.000 0.784 288 G HN 0.464 nan 8.290 nan 0.000 0.543 289 S N -0.217 115.455 115.700 -0.047 0.000 2.593 289 S HA 0.248 4.718 4.470 0.000 0.000 0.217 289 S C 2.043 176.696 174.600 0.088 0.000 0.966 289 S CA -0.158 58.082 58.200 0.068 0.000 0.914 289 S CB 0.056 63.349 63.200 0.156 0.000 0.776 289 S HN 0.258 nan 8.310 nan 0.000 0.523 290 L N 1.440 122.542 121.223 -0.201 0.000 1.988 290 L HA 0.035 4.375 4.340 0.000 0.000 0.207 290 L C 2.872 179.651 176.870 -0.152 0.000 1.071 290 L CA 1.518 56.189 54.840 -0.282 0.000 0.744 290 L CB -1.112 40.532 42.059 -0.691 0.000 0.893 290 L HN 0.522 nan 8.230 nan 0.000 0.433 291 G N -0.915 107.750 108.800 -0.224 0.000 2.418 291 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 291 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 291 G C 1.516 176.468 174.900 0.085 0.000 1.158 291 G CA 0.700 45.861 45.100 0.102 0.000 0.771 291 G HN 0.529 nan 8.290 nan 0.000 0.545 292 G N -0.029 108.793 108.800 0.037 0.000 2.469 292 G HA2 -0.245 3.715 3.960 0.000 0.000 0.219 292 G HA3 -0.245 3.715 3.960 0.000 0.000 0.219 292 G C 1.591 176.431 174.900 -0.099 0.000 1.150 292 G CA 0.904 45.974 45.100 -0.050 0.000 0.763 292 G HN 0.514 nan 8.290 nan 0.000 0.561 293 W N 1.301 122.582 121.300 -0.031 0.000 2.418 293 W HA 0.040 4.700 4.660 0.000 0.000 0.292 293 W C 3.172 179.680 176.519 -0.019 0.000 1.213 293 W CA 1.796 59.117 57.345 -0.041 0.000 1.283 293 W CB -0.474 28.931 29.460 -0.092 0.000 1.119 293 W HN 0.232 nan 8.180 nan 0.000 0.542 294 T N -0.856 113.814 114.554 0.193 0.000 2.867 294 T HA -0.225 4.125 4.350 0.000 0.000 0.268 294 T C 1.778 176.553 174.700 0.125 0.000 1.057 294 T CA 1.222 63.402 62.100 0.132 0.000 1.136 294 T CB -0.837 68.079 68.868 0.080 0.000 0.874 294 T HN 0.078 nan 8.240 nan 0.000 0.466 295 L N 1.237 122.518 121.223 0.096 0.000 1.989 295 L HA 0.028 4.368 4.340 0.000 0.000 0.211 295 L C 2.380 179.300 176.870 0.083 0.000 1.071 295 L CA 1.692 56.577 54.840 0.075 0.000 0.749 295 L CB -0.700 41.380 42.059 0.036 0.000 0.890 295 L HN 0.271 nan 8.230 nan 0.000 0.431 296 L N -0.584 120.678 121.223 0.065 0.000 2.083 296 L HA -0.164 4.176 4.340 0.000 0.000 0.209 296 L C 2.758 179.754 176.870 0.210 0.000 1.083 296 L CA 1.030 55.933 54.840 0.105 0.000 0.752 296 L CB -1.269 40.830 42.059 0.067 0.000 0.899 296 L HN 0.426 nan 8.230 nan 0.000 0.433 297 A N 0.975 123.934 122.820 0.231 0.000 1.873 297 A HA -0.189 4.131 4.320 0.000 0.000 0.218 297 A C 2.417 180.245 177.584 0.405 0.000 1.193 297 A CA 2.113 54.351 52.037 0.335 0.000 0.629 297 A CB -1.374 17.780 19.000 0.256 0.000 0.826 297 A HN 0.443 nan 8.150 nan 0.000 0.447 298 G N -1.859 107.111 108.800 0.284 0.000 2.448 298 G HA2 -0.099 3.861 3.960 0.000 0.000 0.218 298 G HA3 -0.099 3.861 3.960 0.000 0.000 0.218 298 G C 1.584 176.576 174.900 0.153 0.000 1.135 298 G CA 0.842 46.092 45.100 0.249 0.000 0.784 298 G HN 0.450 nan 8.290 nan 0.000 0.543 299 Q N 0.141 120.013 119.800 0.120 0.000 1.990 299 Q HA -0.101 4.239 4.340 0.000 0.000 0.200 299 Q C 2.760 178.761 176.000 0.002 0.000 0.980 299 Q CA 1.768 57.607 55.803 0.060 0.000 0.832 299 Q CB -1.174 27.593 28.738 0.048 0.000 0.897 299 Q HN 0.467 nan 8.270 nan 0.000 0.427 300 T N 0.586 115.144 114.554 0.007 0.000 2.803 300 T HA -0.112 4.238 4.350 0.000 0.000 0.269 300 T C 1.754 176.247 174.700 -0.346 0.000 1.052 300 T CA 1.489 63.511 62.100 -0.130 0.000 1.136 300 T CB -0.094 68.772 68.868 -0.003 0.000 0.864 300 T HN 0.328 nan 8.240 nan 0.000 0.467 301 A N 1.129 123.785 122.820 -0.275 0.000 1.873 301 A HA -0.006 4.314 4.320 0.000 0.000 0.215 301 A C 2.372 179.833 177.584 -0.204 0.000 1.186 301 A CA 1.834 53.559 52.037 -0.518 0.000 0.616 301 A CB -0.658 18.130 19.000 -0.353 0.000 0.823 301 A HN 0.571 nan 8.150 nan 0.000 0.442 302 K N -0.344 120.039 120.400 -0.029 0.000 1.985 302 K HA -0.096 4.224 4.320 0.000 0.000 0.210 302 K C 2.270 178.864 176.600 -0.010 0.000 1.047 302 K CA 1.213 57.526 56.287 0.044 0.000 0.932 302 K CB -0.402 32.138 32.500 0.066 0.000 0.716 302 K HN 0.333 nan 8.250 nan 0.000 0.439 303 A N 1.241 124.026 122.820 -0.059 0.000 1.915 303 A HA -0.259 4.061 4.320 0.000 0.000 0.220 303 A C 2.333 179.882 177.584 -0.058 0.000 1.198 303 A CA 2.539 54.563 52.037 -0.022 0.000 0.647 303 A CB -0.956 18.041 19.000 -0.005 0.000 0.825 303 A HN 0.545 nan 8.150 nan 0.000 0.456 304 A N -0.561 122.002 122.820 -0.429 0.000 1.873 304 A HA 0.211 4.531 4.320 0.000 0.000 0.215 304 A C 2.569 180.163 177.584 0.017 0.000 1.186 304 A CA 2.183 53.948 52.037 -0.453 0.000 0.616 304 A CB -1.190 17.327 19.000 -0.806 0.000 0.823 304 A HN 1.225 nan 8.150 nan 0.000 0.442 305 A N 0.131 122.991 122.820 0.067 0.000 1.917 305 A HA -0.245 4.075 4.320 0.000 0.000 0.219 305 A C 1.701 179.377 177.584 0.153 0.000 1.182 305 A CA 1.995 54.149 52.037 0.196 0.000 0.633 305 A CB -0.738 18.413 19.000 0.251 0.000 0.819 305 A HN 0.466 nan 8.150 nan 0.000 0.448 306 D N 0.457 120.928 120.400 0.117 0.000 2.309 306 D HA -0.041 4.599 4.640 0.000 0.000 0.212 306 D C -0.109 176.266 176.300 0.124 0.000 0.968 306 D CA 0.862 54.927 54.000 0.108 0.000 0.882 306 D CB -0.117 40.737 40.800 0.090 0.000 0.918 306 D HN 0.463 nan 8.370 nan 0.000 0.503 307 D N -1.746 118.752 120.400 0.163 0.000 2.494 307 D HA 0.270 4.911 4.640 0.000 0.000 0.259 307 D C 1.457 177.881 176.300 0.207 0.000 1.109 307 D CA -0.667 53.442 54.000 0.182 0.000 1.040 307 D CB 0.535 41.476 40.800 0.235 0.000 1.175 307 D HN -0.085 nan 8.370 nan 0.000 0.584 308 G N -0.459 108.466 108.800 0.208 0.000 2.740 308 G HA2 0.062 4.022 3.960 0.000 0.000 0.208 308 G HA3 0.062 4.022 3.960 0.000 0.000 0.208 308 G C 0.240 175.381 174.900 0.400 0.000 1.148 308 G CA 0.417 45.665 45.100 0.247 0.000 0.795 308 G HN 0.245 nan 8.290 nan 0.000 0.526 309 L N -0.739 120.714 121.223 0.382 0.000 2.319 309 L HA 0.675 5.015 4.340 0.000 0.000 0.281 309 L C -0.692 176.495 176.870 0.528 0.000 1.005 309 L CA -1.001 54.109 54.840 0.450 0.000 0.828 309 L CB 1.065 43.364 42.059 0.401 0.000 1.227 309 L HN 0.054 nan 8.230 nan 0.000 0.415 310 F N 3.307 123.499 119.950 0.404 0.000 2.181 310 F HA -0.144 4.383 4.527 0.000 0.000 0.357 310 F C -2.357 173.536 175.800 0.154 0.000 1.299 310 F CA -1.049 57.075 58.000 0.207 0.000 1.064 310 F CB -0.188 38.765 39.000 -0.079 0.000 3.953 310 F HN 0.361 nan 8.300 nan 0.000 0.306 311 P HA -0.049 nan 4.420 nan 0.000 0.263 311 P C -2.114 175.303 177.300 0.196 0.000 1.162 311 P CA -0.364 62.725 63.100 -0.018 0.000 0.758 311 P CB 0.296 31.968 31.700 -0.046 0.000 0.773 312 P HA -0.119 nan 4.420 nan 0.000 0.218 312 P C 1.124 178.471 177.300 0.079 0.000 1.149 312 P CA 0.999 64.160 63.100 0.102 0.000 0.817 312 P CB -0.243 31.482 31.700 0.040 0.000 0.785 313 I N -1.608 118.949 120.570 -0.022 0.000 2.399 313 I HA -0.216 3.954 4.170 0.000 0.000 0.254 313 I C 1.538 177.539 176.117 -0.194 0.000 1.146 313 I CA 1.426 62.622 61.300 -0.172 0.000 1.412 313 I CB -1.429 36.360 38.000 -0.351 0.000 1.076 313 I HN -0.131 nan 8.210 nan 0.000 0.432 314 F N 0.937 120.900 119.950 0.023 0.000 2.754 314 F HA 0.324 4.851 4.527 0.000 0.000 0.303 314 F C 0.998 176.827 175.800 0.048 0.000 1.196 314 F CA 0.151 58.183 58.000 0.054 0.000 1.416 314 F CB -0.474 38.591 39.000 0.109 0.000 1.092 314 F HN -0.014 nan 8.300 nan 0.000 0.541 315 A N 0.446 123.353 122.820 0.145 0.000 2.476 315 A HA 0.797 5.117 4.320 0.000 0.000 0.280 315 A C -0.536 177.081 177.584 0.056 0.000 1.081 315 A CA -0.622 51.476 52.037 0.103 0.000 0.753 315 A CB 0.922 19.987 19.000 0.109 0.000 1.248 315 A HN 0.199 nan 8.150 nan 0.000 0.424 316 R N 1.248 121.774 120.500 0.043 0.000 2.817 316 R HA 0.666 5.006 4.340 0.000 0.000 0.268 316 R C 1.127 177.442 176.300 0.026 0.000 1.027 316 R CA -0.389 55.726 56.100 0.024 0.000 0.928 316 R CB 1.376 31.680 30.300 0.007 0.000 1.228 316 R HN 0.442 nan 8.270 nan 0.000 0.469 317 V N 0.747 120.672 119.914 0.019 0.000 2.238 317 V HA -0.400 3.720 4.120 0.000 0.000 0.253 317 V C 0.360 176.467 176.094 0.022 0.000 1.050 317 V CA 1.947 64.258 62.300 0.018 0.000 1.045 317 V CB -0.790 31.041 31.823 0.013 0.000 0.670 317 V HN 0.772 nan 8.190 nan 0.000 0.469 318 N N 1.156 119.868 118.700 0.021 0.000 2.052 318 N HA -0.102 4.639 4.740 0.000 0.000 0.283 318 N C 0.384 175.911 175.510 0.028 0.000 1.272 318 N CA 0.489 53.553 53.050 0.024 0.000 0.810 318 N CB -0.034 38.468 38.487 0.025 0.000 1.042 318 N HN 0.442 nan 8.380 nan 0.000 0.483 319 K N 0.569 120.985 120.400 0.027 0.000 2.773 319 K HA 0.207 4.527 4.320 0.000 0.000 0.222 319 K C -0.185 176.436 176.600 0.034 0.000 0.985 319 K CA 0.057 56.361 56.287 0.029 0.000 1.126 319 K CB -0.061 32.455 32.500 0.025 0.000 0.919 319 K HN 0.568 nan 8.250 nan 0.000 0.487 320 A N -0.107 122.736 122.820 0.038 0.000 2.466 320 A HA 0.642 4.962 4.320 0.000 0.000 0.284 320 A C 0.283 177.899 177.584 0.054 0.000 1.049 320 A CA -0.360 51.704 52.037 0.045 0.000 0.760 320 A CB 0.465 19.491 19.000 0.043 0.000 1.274 320 A HN 0.303 nan 8.150 nan 0.000 0.412 327 L N 0.980 122.241 121.223 0.064 0.000 2.456 327 L HA 0.271 4.612 4.340 0.000 0.000 0.224 327 L C 2.177 179.061 176.870 0.023 0.000 1.148 327 L CA 1.251 56.143 54.840 0.086 0.000 0.825 327 L CB -0.406 41.700 42.059 0.077 0.000 0.937 327 L HN 0.345 nan 8.230 nan 0.000 0.450 328 L N -1.432 119.801 121.223 0.016 0.000 2.307 328 L HA -0.077 4.263 4.340 0.000 0.000 0.211 328 L C 2.357 179.202 176.870 -0.041 0.000 1.099 328 L CA 0.377 55.218 54.840 0.002 0.000 0.816 328 L CB -0.241 41.900 42.059 0.137 0.000 0.952 328 L HN 0.111 nan 8.230 nan 0.000 0.455 329 I N -0.364 120.195 120.570 -0.019 0.000 2.335 329 I HA -0.235 3.935 4.170 0.000 0.000 0.251 329 I C 2.397 178.471 176.117 -0.072 0.000 1.129 329 I CA 0.922 62.215 61.300 -0.011 0.000 1.402 329 I CB -0.414 37.578 38.000 -0.013 0.000 1.069 329 I HN 0.053 nan 8.210 nan 0.000 0.424 330 V N 1.176 121.035 119.914 -0.091 0.000 2.379 330 V HA -0.127 3.993 4.120 0.000 0.000 0.245 330 V C 2.636 178.437 176.094 -0.489 0.000 1.044 330 V CA 2.045 64.131 62.300 -0.356 0.000 1.036 330 V CB -1.194 30.528 31.823 -0.167 0.000 0.664 330 V HN 0.546 nan 8.190 nan 0.000 0.453 331 G N -0.189 108.317 108.800 -0.491 0.000 2.402 331 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 331 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 331 G C 1.683 176.219 174.900 -0.607 0.000 1.162 331 G CA 1.139 45.708 45.100 -0.884 0.000 0.777 331 G HN 0.356 nan 8.290 nan 0.000 0.539 332 V N 0.858 120.639 119.914 -0.222 0.000 2.392 332 V HA -0.119 4.001 4.120 0.000 0.000 0.249 332 V C 2.877 178.952 176.094 -0.030 0.000 1.059 332 V CA 1.403 63.761 62.300 0.096 0.000 1.051 332 V CB -0.300 31.605 31.823 0.136 0.000 0.658 332 V HN 0.340 nan 8.190 nan 0.000 0.455 333 L N -1.507 119.565 121.223 -0.251 0.000 2.095 333 L HA -0.115 4.225 4.340 0.000 0.000 0.204 333 L C 2.480 179.180 176.870 -0.284 0.000 1.080 333 L CA 1.359 55.974 54.840 -0.375 0.000 0.759 333 L CB -0.415 41.071 42.059 -0.955 0.000 0.914 333 L HN 0.289 nan 8.230 nan 0.000 0.439 334 M N -0.353 119.038 119.600 -0.349 0.000 2.279 334 M HA -0.160 4.320 4.480 0.000 0.000 0.264 334 M C 2.287 178.555 176.300 -0.053 0.000 1.062 334 M CA 2.135 57.366 55.300 -0.115 0.000 1.099 334 M CB -0.551 31.942 32.600 -0.178 0.000 1.394 334 M HN 0.445 nan 8.290 nan 0.000 0.426 335 T N -1.221 113.287 114.554 -0.077 0.000 2.851 335 T HA 0.031 4.381 4.350 0.000 0.000 0.262 335 T C 1.688 176.310 174.700 -0.129 0.000 1.043 335 T CA 0.688 62.713 62.100 -0.125 0.000 1.140 335 T CB -0.597 68.304 68.868 0.056 0.000 0.872 335 T HN 0.308 nan 8.240 nan 0.000 0.446 336 I N 0.130 120.761 120.570 0.101 0.000 2.264 336 I HA -0.071 4.099 4.170 0.000 0.000 0.248 336 I C 1.765 178.021 176.117 0.232 0.000 1.111 336 I CA 1.599 63.034 61.300 0.224 0.000 1.382 336 I CB -0.371 37.818 38.000 0.316 0.000 1.060 336 I HN 0.173 nan 8.210 nan 0.000 0.418 337 F N -0.017 119.953 119.950 0.035 0.000 2.773 337 F HA -0.024 4.503 4.527 0.000 0.000 0.304 337 F C 2.299 178.101 175.800 0.003 0.000 1.129 337 F CA -0.120 57.916 58.000 0.061 0.000 1.378 337 F CB 0.131 39.222 39.000 0.152 0.000 1.095 337 F HN 0.072 nan 8.300 nan 0.000 0.565 338 Q N -0.191 119.645 119.800 0.060 0.000 2.226 338 Q HA -0.013 4.327 4.340 0.000 0.000 0.199 338 Q C 1.708 177.709 176.000 0.002 0.000 0.945 338 Q CA 1.491 57.265 55.803 -0.050 0.000 0.861 338 Q CB -0.235 28.381 28.738 -0.203 0.000 0.953 338 Q HN 0.243 nan 8.270 nan 0.000 0.490 339 F N 0.445 120.424 119.950 0.049 0.000 2.163 339 F HA 0.096 4.623 4.527 0.000 0.000 0.297 339 F C 1.640 177.424 175.800 -0.027 0.000 1.094 339 F CA 0.875 58.884 58.000 0.015 0.000 1.290 339 F CB -0.651 38.362 39.000 0.022 0.000 1.017 339 F HN -0.119 nan 8.300 nan 0.000 0.483 340 S N -0.063 115.709 115.700 0.121 0.000 3.033 340 S HA 0.105 4.575 4.470 0.000 0.000 0.258 340 S C 1.054 175.623 174.600 -0.052 0.000 1.207 340 S CA 0.631 58.814 58.200 -0.028 0.000 1.248 340 S CB -0.791 62.296 63.200 -0.188 0.000 0.932 340 S HN 0.443 nan 8.310 nan 0.000 0.472 341 S N -1.351 114.353 115.700 0.007 0.000 2.184 341 S HA 0.198 4.668 4.470 0.000 0.000 0.253 341 S C 0.933 175.538 174.600 0.009 0.000 0.950 341 S CA -0.363 57.831 58.200 -0.010 0.000 1.541 341 S CB -0.069 63.124 63.200 -0.011 0.000 1.172 341 S HN 0.282 nan 8.310 nan 0.000 0.577 342 M N 1.600 121.229 119.600 0.048 0.000 3.101 342 M HA 0.433 4.913 4.480 0.000 0.000 0.236 342 M C 2.344 178.668 176.300 0.040 0.000 1.538 342 M CA 1.389 56.716 55.300 0.046 0.000 1.309 342 M CB -1.476 31.169 32.600 0.075 0.000 1.141 342 M HN 0.379 nan 8.290 nan 0.000 0.579 343 S N 0.728 116.466 115.700 0.064 0.000 2.368 343 S HA 0.016 4.486 4.470 0.000 0.000 0.224 343 S C -1.517 173.081 174.600 -0.003 0.000 1.029 343 S CA 0.395 58.608 58.200 0.022 0.000 0.988 343 S CB -1.159 62.039 63.200 -0.003 0.000 0.838 343 S HN 0.165 nan 8.310 nan 0.000 0.462 344 P HA 0.313 nan 4.420 nan 0.000 0.275 344 P C -0.840 176.447 177.300 -0.020 0.000 1.228 344 P CA -0.271 62.818 63.100 -0.018 0.000 0.786 344 P CB 0.354 32.042 31.700 -0.020 0.000 0.927 345 N N 0.913 119.599 118.700 -0.024 0.000 2.530 345 N HA 0.550 5.290 4.740 0.000 0.000 0.277 345 N C 0.551 176.045 175.510 -0.027 0.000 1.168 345 N CA 0.042 53.078 53.050 -0.023 0.000 0.979 345 N CB 1.046 39.520 38.487 -0.021 0.000 1.141 345 N HN 0.486 nan 8.380 nan 0.000 0.459 346 A N 0.379 123.183 122.820 -0.027 0.000 3.550 346 A HA 0.358 4.678 4.320 0.000 0.000 0.131 346 A C 0.143 177.709 177.584 -0.029 0.000 1.302 346 A CA 0.509 52.528 52.037 -0.030 0.000 1.218 346 A CB -1.076 17.901 19.000 -0.039 0.000 0.888 346 A HN 0.650 nan 8.150 nan 0.000 0.419 347 A N -0.864 121.936 122.820 -0.034 0.000 2.628 347 A HA 0.599 4.919 4.320 0.000 0.000 0.267 347 A C 1.586 179.140 177.584 -0.049 0.000 1.159 347 A CA 1.570 53.584 52.037 -0.040 0.000 0.972 347 A CB -0.311 18.670 19.000 -0.033 0.000 1.211 347 A HN 1.474 nan 8.150 nan 0.000 0.576 348 K N -0.207 120.164 120.400 -0.047 0.000 2.097 348 K HA -0.002 4.318 4.320 0.000 0.000 0.206 348 K C 1.948 178.505 176.600 -0.072 0.000 1.049 348 K CA 2.184 58.439 56.287 -0.054 0.000 0.933 348 K CB -1.366 31.108 32.500 -0.043 0.000 0.717 348 K HN 0.825 nan 8.250 nan 0.000 0.442 349 E N -0.872 119.281 120.200 -0.078 0.000 2.085 349 E HA 0.017 4.367 4.350 0.000 0.000 0.194 349 E C 2.159 178.680 176.600 -0.132 0.000 0.994 349 E CA 1.718 58.053 56.400 -0.109 0.000 0.801 349 E CB -1.265 28.370 29.700 -0.109 0.000 0.743 349 E HN 1.193 nan 8.360 nan 0.000 0.453 350 F N 0.908 120.789 119.950 -0.114 0.000 2.769 350 F HA 0.574 5.101 4.527 0.000 0.000 0.304 350 F C 2.217 177.963 175.800 -0.090 0.000 1.158 350 F CA 0.855 58.788 58.000 -0.112 0.000 1.398 350 F CB -0.510 38.412 39.000 -0.131 0.000 1.094 350 F HN 0.424 nan 8.300 nan 0.000 0.553 351 G N -1.246 107.497 108.800 -0.095 0.000 2.748 351 G HA2 0.179 4.139 3.960 0.000 0.000 0.204 351 G HA3 0.179 4.139 3.960 0.000 0.000 0.204 351 G C 1.508 176.339 174.900 -0.115 0.000 1.095 351 G CA 0.890 45.934 45.100 -0.092 0.000 0.775 351 G HN 0.446 nan 8.290 nan 0.000 0.531 352 L N 1.255 122.403 121.223 -0.125 0.000 2.093 352 L HA 0.088 4.428 4.340 0.000 0.000 0.208 352 L C 2.702 179.465 176.870 -0.179 0.000 1.085 352 L CA 1.292 56.048 54.840 -0.140 0.000 0.755 352 L CB -0.332 41.647 42.059 -0.134 0.000 0.904 352 L HN 0.024 nan 8.230 nan 0.000 0.435 353 V N -0.835 118.967 119.914 -0.185 0.000 2.380 353 V HA -0.333 3.787 4.120 0.000 0.000 0.251 353 V C 2.766 178.717 176.094 -0.239 0.000 1.063 353 V CA 1.946 64.125 62.300 -0.202 0.000 1.055 353 V CB -0.895 30.855 31.823 -0.122 0.000 0.657 353 V HN 0.658 nan 8.190 nan 0.000 0.455 354 S N 0.063 115.641 115.700 -0.203 0.000 2.442 354 S HA -0.157 4.313 4.470 0.000 0.000 0.236 354 S C 2.099 176.530 174.600 -0.281 0.000 1.007 354 S CA 1.738 59.797 58.200 -0.235 0.000 0.965 354 S CB -0.229 62.862 63.200 -0.182 0.000 0.773 354 S HN 0.859 nan 8.310 nan 0.000 0.504 355 S N -0.465 115.074 115.700 -0.269 0.000 2.492 355 S HA 0.138 4.608 4.470 0.000 0.000 0.218 355 S C 1.664 176.056 174.600 -0.347 0.000 1.016 355 S CA 0.469 58.493 58.200 -0.293 0.000 0.916 355 S CB -0.167 62.887 63.200 -0.244 0.000 0.791 355 S HN 0.300 nan 8.310 nan 0.000 0.513 356 V N 3.542 123.237 119.914 -0.365 0.000 2.358 356 V HA -0.137 3.983 4.120 0.000 0.000 0.246 356 V C 3.065 178.666 176.094 -0.822 0.000 1.047 356 V CA 1.940 63.958 62.300 -0.470 0.000 1.035 356 V CB -1.242 30.338 31.823 -0.405 0.000 0.658 356 V HN 0.782 nan 8.190 nan 0.000 0.452 357 S N 0.411 115.612 115.700 -0.831 0.000 2.440 357 S HA -0.174 4.296 4.470 0.000 0.000 0.240 357 S C 1.857 176.175 174.600 -0.470 0.000 1.014 357 S CA 1.594 59.288 58.200 -0.844 0.000 0.980 357 S CB -0.767 62.106 63.200 -0.546 0.000 0.775 357 S HN 0.386 nan 8.310 nan 0.000 0.499 358 V N 1.936 121.624 119.914 -0.377 0.000 2.427 358 V HA -0.069 4.051 4.120 0.000 0.000 0.248 358 V C 2.365 178.492 176.094 0.056 0.000 1.051 358 V CA 1.554 63.747 62.300 -0.179 0.000 1.048 358 V CB -0.824 30.830 31.823 -0.282 0.000 0.666 358 V HN 0.525 nan 8.190 nan 0.000 0.456 359 I N -0.916 119.631 120.570 -0.037 0.000 2.439 359 I HA -0.155 4.016 4.170 0.000 0.000 0.251 359 I C 2.364 178.646 176.117 0.276 0.000 1.139 359 I CA 1.457 62.881 61.300 0.207 0.000 1.438 359 I CB -0.415 37.658 38.000 0.121 0.000 1.085 359 I HN 0.234 nan 8.210 nan 0.000 0.427 360 F N 0.696 120.674 119.950 0.047 0.000 2.120 360 F HA -0.315 4.212 4.527 0.000 0.000 0.300 360 F C 2.756 178.571 175.800 0.025 0.000 1.095 360 F CA 1.219 59.225 58.000 0.010 0.000 1.249 360 F CB -0.613 38.351 39.000 -0.060 0.000 0.995 360 F HN 0.044 nan 8.300 nan 0.000 0.480 361 T N 0.453 115.149 114.554 0.237 0.000 2.977 361 T HA -0.095 4.255 4.350 0.000 0.000 0.271 361 T C 1.772 176.547 174.700 0.125 0.000 1.105 361 T CA 0.688 62.882 62.100 0.156 0.000 1.116 361 T CB -0.241 68.725 68.868 0.165 0.000 0.878 361 T HN 0.174 nan 8.240 nan 0.000 0.509 362 L N -0.074 121.287 121.223 0.230 0.000 2.341 362 L HA 0.063 4.403 4.340 0.000 0.000 0.214 362 L C 2.366 179.298 176.870 0.104 0.000 1.115 362 L CA 0.282 55.269 54.840 0.244 0.000 0.820 362 L CB -0.073 42.082 42.059 0.160 0.000 0.944 362 L HN 0.166 nan 8.230 nan 0.000 0.452 363 V N 0.938 120.862 119.914 0.017 0.000 2.307 363 V HA -0.137 3.983 4.120 0.000 0.000 0.245 363 V C -0.193 175.740 176.094 -0.267 0.000 1.045 363 V CA 1.848 64.034 62.300 -0.189 0.000 1.024 363 V CB -1.608 30.106 31.823 -0.182 0.000 0.651 363 V HN 0.343 nan 8.190 nan 0.000 0.449 364 P HA -0.189 nan 4.420 nan 0.000 0.215 364 P C 1.408 178.758 177.300 0.084 0.000 1.157 364 P CA 1.718 64.804 63.100 -0.023 0.000 0.868 364 P CB -0.226 31.438 31.700 -0.060 0.000 0.788 365 Y N -0.191 120.197 120.300 0.146 0.000 2.139 365 Y HA -0.194 4.356 4.550 0.000 0.000 0.282 365 Y C 2.635 178.586 175.900 0.086 0.000 1.179 365 Y CA 0.816 59.022 58.100 0.177 0.000 1.161 365 Y CB -1.738 36.773 38.460 0.084 0.000 0.970 365 Y HN -0.129 nan 8.280 nan 0.000 0.511 366 L N -1.027 120.302 121.223 0.176 0.000 1.961 366 L HA -0.254 4.086 4.340 0.000 0.000 0.210 366 L C 2.131 179.196 176.870 0.325 0.000 1.072 366 L CA 1.871 56.824 54.840 0.188 0.000 0.749 366 L CB -1.272 40.758 42.059 -0.048 0.000 0.889 366 L HN 0.146 nan 8.230 nan 0.000 0.432 367 Y N 0.178 120.624 120.300 0.244 0.000 2.256 367 Y HA -0.208 4.342 4.550 0.000 0.000 0.288 367 Y C 2.673 178.682 175.900 0.182 0.000 1.155 367 Y CA 1.392 59.667 58.100 0.292 0.000 1.203 367 Y CB -1.955 36.657 38.460 0.254 0.000 0.980 367 Y HN 0.284 nan 8.280 nan 0.000 0.530 368 T N -0.819 113.862 114.554 0.211 0.000 2.720 368 T HA -0.234 4.116 4.350 0.000 0.000 0.268 368 T C 2.202 176.817 174.700 -0.142 0.000 1.037 368 T CA 1.667 63.742 62.100 -0.041 0.000 1.144 368 T CB -0.941 67.703 68.868 -0.373 0.000 0.864 368 T HN 0.421 nan 8.240 nan 0.000 0.444 369 C N 1.867 121.081 119.300 -0.144 0.000 2.436 369 C HA 0.055 4.515 4.460 0.000 0.000 0.277 369 C C 3.285 178.148 174.990 -0.212 0.000 1.241 369 C CA 0.307 59.097 59.018 -0.380 0.000 1.721 369 C CB -1.547 25.624 27.740 -0.947 0.000 2.043 369 C HN 0.662 nan 8.230 nan 0.000 0.472 370 A N 0.472 123.395 122.820 0.171 0.000 2.032 370 A HA -0.016 4.304 4.320 0.000 0.000 0.221 370 A C 2.268 179.884 177.584 0.053 0.000 1.165 370 A CA 2.272 54.539 52.037 0.383 0.000 0.645 370 A CB -0.707 18.706 19.000 0.689 0.000 0.807 370 A HN 0.641 nan 8.150 nan 0.000 0.453 371 A N -0.677 122.120 122.820 -0.038 0.000 1.855 371 A HA 0.079 4.399 4.320 0.000 0.000 0.213 371 A C 1.989 179.434 177.584 -0.232 0.000 1.195 371 A CA 1.428 53.352 52.037 -0.188 0.000 0.610 371 A CB -0.662 18.252 19.000 -0.144 0.000 0.837 371 A HN 0.686 nan 8.150 nan 0.000 0.444 372 L N -0.315 120.770 121.223 -0.230 0.000 2.349 372 L HA -0.105 4.235 4.340 0.000 0.000 0.220 372 L C 1.970 178.768 176.870 -0.120 0.000 1.130 372 L CA 1.355 56.054 54.840 -0.236 0.000 0.791 372 L CB -0.383 41.541 42.059 -0.225 0.000 0.918 372 L HN 0.417 nan 8.230 nan 0.000 0.444 373 L N -2.285 118.907 121.223 -0.053 0.000 2.116 373 L HA -0.084 4.256 4.340 0.000 0.000 0.200 373 L C 2.285 179.087 176.870 -0.113 0.000 1.084 373 L CA 0.656 55.533 54.840 0.063 0.000 0.766 373 L CB -0.497 41.650 42.059 0.147 0.000 0.930 373 L HN 0.121 nan 8.230 nan 0.000 0.453 374 L N -0.267 120.853 121.223 -0.172 0.000 2.079 374 L HA -0.246 4.094 4.340 0.000 0.000 0.210 374 L C 2.379 178.918 176.870 -0.552 0.000 1.081 374 L CA 1.327 55.980 54.840 -0.311 0.000 0.752 374 L CB -0.356 41.514 42.059 -0.316 0.000 0.896 374 L HN 0.312 nan 8.230 nan 0.000 0.433 375 L N -1.078 119.868 121.223 -0.463 0.000 2.185 375 L HA 0.079 4.419 4.340 0.000 0.000 0.198 375 L C 2.009 178.619 176.870 -0.434 0.000 1.079 375 L CA 0.862 55.431 54.840 -0.451 0.000 0.780 375 L CB -0.563 41.292 42.059 -0.340 0.000 0.955 375 L HN 0.200 nan 8.230 nan 0.000 0.462 376 G N -1.199 107.354 108.800 -0.411 0.000 3.424 376 G HA2 -0.053 3.907 3.960 0.000 0.000 0.263 376 G HA3 -0.053 3.907 3.960 0.000 0.000 0.263 376 G C 0.830 175.303 174.900 -0.713 0.000 1.310 376 G CA -0.213 44.639 45.100 -0.414 0.000 1.089 376 G HN 0.690 nan 8.290 nan 0.000 0.534 377 H N -2.963 115.708 119.070 -0.666 0.000 2.563 377 H HA 0.168 4.724 4.556 0.000 0.000 0.272 377 H C 1.861 176.857 175.328 -0.553 0.000 1.005 377 H CA 0.124 55.703 56.048 -0.781 0.000 1.171 377 H CB 0.460 30.070 29.762 -0.254 0.000 1.351 377 H HN 0.210 nan 8.280 nan 0.000 0.602 378 G N 0.417 109.098 108.800 -0.198 0.000 2.727 378 G HA2 -0.088 3.872 3.960 0.000 0.000 0.203 378 G HA3 -0.088 3.872 3.960 0.000 0.000 0.203 378 G C 0.534 175.303 174.900 -0.218 0.000 1.117 378 G CA -0.260 44.709 45.100 -0.219 0.000 0.817 378 G HN 0.409 nan 8.290 nan 0.000 0.553 379 H N 0.093 119.031 119.070 -0.220 0.000 2.612 379 H HA 0.308 4.864 4.556 0.000 0.000 0.285 379 H C 1.421 176.779 175.328 0.050 0.000 1.066 379 H CA -0.355 55.636 56.048 -0.095 0.000 1.180 379 H CB -0.471 29.220 29.762 -0.118 0.000 1.312 379 H HN 0.385 nan 8.280 nan 0.000 0.606 380 F N -0.460 119.557 119.950 0.112 0.000 2.113 380 F HA -0.041 4.486 4.527 0.000 0.000 0.297 380 F C 2.122 178.078 175.800 0.260 0.000 1.103 380 F CA 0.879 59.000 58.000 0.201 0.000 1.248 380 F CB 0.402 39.514 39.000 0.187 0.000 0.999 380 F HN 0.498 nan 8.300 nan 0.000 0.475 381 G N -1.453 107.541 108.800 0.323 0.000 4.366 381 G HA2 0.023 3.983 3.960 0.000 0.000 0.194 381 G HA3 0.023 3.983 3.960 0.000 0.000 0.194 381 G C 0.176 175.136 174.900 0.100 0.000 1.275 381 G CA -0.104 45.106 45.100 0.183 0.000 0.847 381 G HN 0.183 nan 8.290 nan 0.000 0.299 382 K N 1.079 121.535 120.400 0.094 0.000 2.206 382 K HA 0.825 5.145 4.320 0.000 0.000 0.268 382 K C 0.513 177.166 176.600 0.088 0.000 1.111 382 K CA 0.441 56.817 56.287 0.149 0.000 0.955 382 K CB 0.582 33.160 32.500 0.130 0.000 1.406 382 K HN 1.560 nan 8.250 nan 0.000 0.427 383 A N 2.385 125.252 122.820 0.078 0.000 2.728 383 A HA 0.146 4.466 4.320 0.000 0.000 0.258 383 A C 1.843 179.360 177.584 -0.112 0.000 1.454 383 A CA 0.051 52.054 52.037 -0.056 0.000 1.146 383 A CB -0.706 18.196 19.000 -0.164 0.000 0.985 383 A HN 0.881 nan 8.150 nan 0.000 0.603 384 R N 0.724 121.203 120.500 -0.035 0.000 2.115 384 R HA -0.173 4.167 4.340 0.000 0.000 0.239 384 R C -1.024 175.152 176.300 -0.207 0.000 1.133 384 R CA 2.548 58.572 56.100 -0.127 0.000 0.935 384 R CB -1.124 29.215 30.300 0.065 0.000 0.853 384 R HN 0.394 nan 8.270 nan 0.000 0.433 385 P HA -0.166 nan 4.420 nan 0.000 0.216 385 P C 1.428 178.643 177.300 -0.142 0.000 1.150 385 P CA 1.155 64.188 63.100 -0.111 0.000 0.837 385 P CB -0.145 31.506 31.700 -0.082 0.000 0.786 386 L N -2.361 118.749 121.223 -0.188 0.000 2.017 386 L HA -0.209 4.131 4.340 0.000 0.000 0.208 386 L C 2.334 179.057 176.870 -0.244 0.000 1.073 386 L CA 1.769 56.474 54.840 -0.226 0.000 0.745 386 L CB -0.665 41.215 42.059 -0.298 0.000 0.894 386 L HN -0.093 nan 8.230 nan 0.000 0.432 387 Y N -0.609 119.489 120.300 -0.336 0.000 2.200 387 Y HA -0.229 4.321 4.550 0.000 0.000 0.290 387 Y C 2.252 177.942 175.900 -0.350 0.000 1.137 387 Y CA 1.357 59.194 58.100 -0.437 0.000 1.163 387 Y CB -0.553 37.334 38.460 -0.955 0.000 0.988 387 Y HN 0.168 nan 8.280 nan 0.000 0.518 388 L N -0.917 120.188 121.223 -0.196 0.000 2.353 388 L HA -0.159 4.181 4.340 0.000 0.000 0.220 388 L C 1.867 178.749 176.870 0.020 0.000 1.133 388 L CA 1.231 56.030 54.840 -0.068 0.000 0.798 388 L CB -0.476 41.547 42.059 -0.061 0.000 0.922 388 L HN 0.201 nan 8.230 nan 0.000 0.445 389 L N -1.533 119.689 121.223 -0.002 0.000 2.286 389 L HA 0.088 4.428 4.340 0.000 0.000 0.203 389 L C 2.158 179.090 176.870 0.104 0.000 1.068 389 L CA 1.182 56.059 54.840 0.061 0.000 0.811 389 L CB -0.233 41.825 42.059 -0.003 0.000 0.989 389 L HN 0.124 nan 8.230 nan 0.000 0.467 390 I N -0.181 120.409 120.570 0.032 0.000 2.194 390 I HA -0.351 3.819 4.170 0.000 0.000 0.246 390 I C 2.209 178.335 176.117 0.014 0.000 1.093 390 I CA 1.983 63.295 61.300 0.020 0.000 1.355 390 I CB -0.695 37.318 38.000 0.022 0.000 1.046 390 I HN 0.441 nan 8.210 nan 0.000 0.413 391 T N -1.703 112.858 114.554 0.011 0.000 2.995 391 T HA -0.190 4.160 4.350 0.000 0.000 0.269 391 T C 1.681 176.348 174.700 -0.055 0.000 1.091 391 T CA 0.705 62.741 62.100 -0.107 0.000 1.128 391 T CB -0.687 68.105 68.868 -0.127 0.000 0.891 391 T HN 0.389 nan 8.240 nan 0.000 0.492 392 F N 1.557 121.513 119.950 0.011 0.000 2.293 392 F HA 0.134 4.661 4.527 0.000 0.000 0.297 392 F C 2.044 177.902 175.800 0.097 0.000 1.089 392 F CA 0.349 58.432 58.000 0.139 0.000 1.377 392 F CB -0.010 39.044 39.000 0.091 0.000 1.051 392 F HN -0.037 nan 8.300 nan 0.000 0.511 393 V N 0.560 120.451 119.914 -0.039 0.000 2.283 393 V HA -0.240 3.881 4.120 0.000 0.000 0.243 393 V C 2.759 178.794 176.094 -0.099 0.000 1.039 393 V CA 1.743 63.957 62.300 -0.142 0.000 1.016 393 V CB -1.372 30.412 31.823 -0.065 0.000 0.650 393 V HN 0.418 nan 8.190 nan 0.000 0.449 394 A N -0.572 122.220 122.820 -0.046 0.000 1.986 394 A HA -0.223 4.097 4.320 0.000 0.000 0.220 394 A C 2.064 179.668 177.584 0.033 0.000 1.171 394 A CA 1.833 53.880 52.037 0.017 0.000 0.640 394 A CB -0.665 18.305 19.000 -0.051 0.000 0.811 394 A HN 0.437 nan 8.150 nan 0.000 0.451 395 F N -0.469 119.428 119.950 -0.088 0.000 2.051 395 F HA -0.116 4.411 4.527 0.000 0.000 0.296 395 F C 2.592 178.276 175.800 -0.193 0.000 1.122 395 F CA 1.103 59.029 58.000 -0.122 0.000 1.201 395 F CB -1.046 37.879 39.000 -0.126 0.000 0.978 395 F HN 0.041 nan 8.300 nan 0.000 0.472 396 V N -0.540 119.287 119.914 -0.144 0.000 2.469 396 V HA -0.343 3.777 4.120 0.000 0.000 0.251 396 V C 2.200 178.229 176.094 -0.109 0.000 1.064 396 V CA 1.876 64.007 62.300 -0.281 0.000 1.066 396 V CB -0.819 30.672 31.823 -0.552 0.000 0.667 396 V HN 0.482 nan 8.190 nan 0.000 0.461 397 Y N -0.052 120.139 120.300 -0.182 0.000 2.053 397 Y HA -0.383 4.168 4.550 0.000 0.000 0.277 397 Y C 2.710 178.565 175.900 -0.075 0.000 1.159 397 Y CA 2.194 60.225 58.100 -0.114 0.000 1.125 397 Y CB -0.340 38.041 38.460 -0.131 0.000 0.969 397 Y HN 0.317 nan 8.280 nan 0.000 0.492 398 C N 0.822 120.000 119.300 -0.204 0.000 2.422 398 C HA -0.189 4.271 4.460 0.000 0.000 0.279 398 C C 2.611 177.535 174.990 -0.109 0.000 1.305 398 C CA 1.036 59.877 59.018 -0.296 0.000 1.757 398 C CB -1.354 26.306 27.740 -0.133 0.000 1.962 398 C HN 0.609 nan 8.230 nan 0.000 0.499 399 I N -1.059 119.502 120.570 -0.015 0.000 2.202 399 I HA -0.190 3.980 4.170 0.000 0.000 0.242 399 I C 2.592 178.806 176.117 0.161 0.000 1.091 399 I CA 1.506 62.826 61.300 0.033 0.000 1.368 399 I CB -0.441 37.551 38.000 -0.014 0.000 1.058 399 I HN 0.413 nan 8.210 nan 0.000 0.410 400 W N 1.428 122.701 121.300 -0.045 0.000 2.355 400 W HA -0.134 4.526 4.660 0.000 0.000 0.309 400 W C 2.843 179.346 176.519 -0.025 0.000 1.206 400 W CA 1.413 58.748 57.345 -0.017 0.000 1.284 400 W CB -0.982 28.481 29.460 0.005 0.000 1.145 400 W HN 0.121 nan 8.180 nan 0.000 0.502 401 A N -0.178 122.694 122.820 0.086 0.000 1.927 401 A HA -0.254 4.066 4.320 0.000 0.000 0.220 401 A C 2.162 179.801 177.584 0.091 0.000 1.185 401 A CA 2.870 54.783 52.037 -0.207 0.000 0.639 401 A CB -1.161 17.363 19.000 -0.793 0.000 0.820 401 A HN 0.094 nan 8.150 nan 0.000 0.451 402 V N 0.126 120.097 119.914 0.095 0.000 2.270 402 V HA -0.256 3.864 4.120 0.000 0.000 0.245 402 V C 2.441 178.644 176.094 0.181 0.000 1.043 402 V CA 1.962 64.386 62.300 0.206 0.000 1.014 402 V CB -0.687 31.205 31.823 0.115 0.000 0.645 402 V HN 0.591 nan 8.190 nan 0.000 0.447 403 I N 0.955 121.605 120.570 0.133 0.000 2.163 403 I HA -0.160 4.010 4.170 0.000 0.000 0.243 403 I C 1.919 178.066 176.117 0.051 0.000 1.085 403 I CA 1.724 63.076 61.300 0.086 0.000 1.347 403 I CB -0.808 37.252 38.000 0.099 0.000 1.044 403 I HN 0.445 nan 8.210 nan 0.000 0.408 404 G N 1.030 109.855 108.800 0.041 0.000 3.284 404 G HA2 0.227 4.188 3.960 0.000 0.000 0.251 404 G HA3 0.227 4.188 3.960 0.000 0.000 0.251 404 G C -0.186 174.800 174.900 0.142 0.000 0.913 404 G CA 0.090 45.204 45.100 0.024 0.000 1.947 404 G HN 0.247 nan 8.290 nan 0.000 0.635 405 S N -0.096 115.665 115.700 0.102 0.000 2.397 405 S HA 0.424 4.894 4.470 0.000 0.000 0.190 405 S C 0.564 175.164 174.600 -0.000 0.000 1.100 405 S CA -0.384 57.849 58.200 0.054 0.000 1.150 405 S CB 0.815 64.099 63.200 0.139 0.000 1.302 405 S HN 1.002 nan 8.310 nan 0.000 0.417 406 G N 1.849 110.634 108.800 -0.026 0.000 2.938 406 G HA2 0.019 3.979 3.960 0.000 0.000 0.324 406 G HA3 0.019 3.979 3.960 0.000 0.000 0.324 406 G C 1.194 176.090 174.900 -0.007 0.000 0.220 406 G CA 0.166 45.252 45.100 -0.024 0.000 1.222 406 G HN 1.082 nan 8.290 nan 0.000 0.274 407 A N 3.649 126.470 122.820 0.001 0.000 1.900 407 A HA -0.325 3.995 4.320 0.000 0.000 0.225 407 A C 2.435 180.030 177.584 0.019 0.000 1.414 407 A CA 2.911 54.953 52.037 0.008 0.000 0.702 407 A CB -0.831 18.170 19.000 0.002 0.000 0.845 407 A HN 1.081 nan 8.150 nan 0.000 0.478 408 K N -0.384 120.031 120.400 0.025 0.000 2.044 408 K HA -0.302 4.018 4.320 0.000 0.000 0.224 408 K C 1.870 178.538 176.600 0.112 0.000 1.056 408 K CA 2.594 58.920 56.287 0.066 0.000 0.962 408 K CB -0.433 32.111 32.500 0.074 0.000 0.730 408 K HN 0.726 nan 8.250 nan 0.000 0.453 409 E N -0.497 119.742 120.200 0.065 0.000 2.048 409 E HA -0.251 4.099 4.350 0.000 0.000 0.202 409 E C 2.049 178.702 176.600 0.089 0.000 1.021 409 E CA 1.923 58.352 56.400 0.048 0.000 0.825 409 E CB -0.379 29.285 29.700 -0.060 0.000 0.756 409 E HN 0.132 nan 8.360 nan 0.000 0.454 410 V N 1.627 121.581 119.914 0.066 0.000 2.324 410 V HA -0.322 3.798 4.120 0.000 0.000 0.250 410 V C 2.404 178.573 176.094 0.125 0.000 1.060 410 V CA 1.953 64.310 62.300 0.094 0.000 1.042 410 V CB -0.472 31.391 31.823 0.067 0.000 0.650 410 V HN 0.383 nan 8.190 nan 0.000 0.450 411 M N -1.495 118.143 119.600 0.064 0.000 2.106 411 M HA -0.281 4.199 4.480 0.000 0.000 0.259 411 M C 2.002 178.273 176.300 -0.048 0.000 1.068 411 M CA 2.375 57.660 55.300 -0.025 0.000 1.100 411 M CB -0.220 32.261 32.600 -0.198 0.000 1.351 411 M HN 0.489 nan 8.290 nan 0.000 0.404 412 W N -0.519 120.847 121.300 0.111 0.000 2.518 412 W HA -0.020 4.640 4.660 0.000 0.000 0.273 412 W C 2.489 179.131 176.519 0.204 0.000 1.247 412 W CA 0.595 58.008 57.345 0.114 0.000 1.288 412 W CB -0.250 29.242 29.460 0.053 0.000 1.107 412 W HN 0.200 nan 8.180 nan 0.000 0.586 413 S N 0.410 116.363 115.700 0.421 0.000 2.359 413 S HA -0.249 4.221 4.470 0.000 0.000 0.224 413 S C 1.591 176.471 174.600 0.465 0.000 1.035 413 S CA 1.415 59.935 58.200 0.533 0.000 1.018 413 S CB -0.842 62.586 63.200 0.380 0.000 0.876 413 S HN 0.370 nan 8.310 nan 0.000 0.448 414 F N 2.007 122.055 119.950 0.162 0.000 2.095 414 F HA -0.184 4.343 4.527 0.000 0.000 0.298 414 F C 2.143 177.999 175.800 0.093 0.000 1.104 414 F CA 0.924 58.977 58.000 0.088 0.000 1.232 414 F CB -0.130 38.883 39.000 0.022 0.000 0.987 414 F HN -0.030 nan 8.300 nan 0.000 0.475 415 V N 0.089 120.035 119.914 0.054 0.000 2.568 415 V HA -0.322 3.798 4.120 0.000 0.000 0.253 415 V C 2.119 178.283 176.094 0.116 0.000 1.072 415 V CA 2.264 64.541 62.300 -0.038 0.000 1.084 415 V CB -1.033 30.813 31.823 0.038 0.000 0.676 415 V HN 0.457 nan 8.190 nan 0.000 0.469 416 T N 0.184 114.878 114.554 0.233 0.000 2.770 416 T HA -0.055 4.295 4.350 0.000 0.000 0.263 416 T C 1.940 176.679 174.700 0.065 0.000 1.039 416 T CA 0.988 63.191 62.100 0.172 0.000 1.142 416 T CB -0.197 68.779 68.868 0.180 0.000 0.868 416 T HN 0.153 nan 8.240 nan 0.000 0.435 417 L N 0.438 121.712 121.223 0.086 0.000 2.013 417 L HA -0.101 4.239 4.340 0.000 0.000 0.212 417 L C 2.538 179.461 176.870 0.089 0.000 1.073 417 L CA 1.796 56.691 54.840 0.091 0.000 0.753 417 L CB -1.179 41.002 42.059 0.204 0.000 0.890 417 L HN 0.323 nan 8.230 nan 0.000 0.432 418 M N -0.800 118.802 119.600 0.002 0.000 2.088 418 M HA -0.221 4.259 4.480 0.000 0.000 0.256 418 M C 2.227 178.559 176.300 0.053 0.000 1.071 418 M CA 1.734 57.008 55.300 -0.044 0.000 1.097 418 M CB -0.441 32.048 32.600 -0.185 0.000 1.315 418 M HN -0.029 nan 8.290 nan 0.000 0.406 419 V N -0.059 119.901 119.914 0.077 0.000 2.270 419 V HA -0.287 3.833 4.120 0.000 0.000 0.245 419 V C 2.290 178.483 176.094 0.164 0.000 1.043 419 V CA 1.585 63.957 62.300 0.119 0.000 1.014 419 V CB -0.698 31.205 31.823 0.134 0.000 0.645 419 V HN 0.429 nan 8.190 nan 0.000 0.447 420 I N 0.267 120.929 120.570 0.152 0.000 2.113 420 I HA -0.334 3.836 4.170 0.000 0.000 0.242 420 I C 2.544 178.883 176.117 0.369 0.000 1.057 420 I CA 2.440 63.865 61.300 0.208 0.000 1.314 420 I CB -1.826 36.212 38.000 0.064 0.000 1.022 420 I HN 0.361 nan 8.210 nan 0.000 0.408 421 T N 1.337 116.098 114.554 0.346 0.000 2.597 421 T HA -0.232 4.118 4.350 0.000 0.000 0.267 421 T C 2.007 176.891 174.700 0.306 0.000 1.053 421 T CA 2.224 64.583 62.100 0.432 0.000 1.165 421 T CB -0.501 68.552 68.868 0.308 0.000 0.863 421 T HN 0.524 nan 8.240 nan 0.000 0.427 422 A N 1.010 123.950 122.820 0.200 0.000 1.908 422 A HA -0.058 4.262 4.320 0.000 0.000 0.218 422 A C 2.257 179.949 177.584 0.181 0.000 1.181 422 A CA 1.543 53.666 52.037 0.143 0.000 0.627 422 A CB -0.940 18.121 19.000 0.102 0.000 0.818 422 A HN 0.416 nan 8.150 nan 0.000 0.445 423 L N -1.726 119.640 121.223 0.239 0.000 2.187 423 L HA -0.173 4.167 4.340 0.000 0.000 0.213 423 L C 2.216 179.276 176.870 0.317 0.000 1.100 423 L CA 2.265 57.265 54.840 0.267 0.000 0.765 423 L CB -0.674 41.573 42.059 0.314 0.000 0.904 423 L HN 0.578 nan 8.230 nan 0.000 0.437 424 Y N -0.545 119.898 120.300 0.239 0.000 2.231 424 Y HA 0.051 4.601 4.550 0.000 0.000 0.294 424 Y C 2.281 178.223 175.900 0.069 0.000 1.120 424 Y CA 1.228 59.385 58.100 0.094 0.000 1.141 424 Y CB -0.288 38.258 38.460 0.143 0.000 1.022 424 Y HN 0.119 nan 8.280 nan 0.000 0.523 425 A N -0.140 122.726 122.820 0.077 0.000 2.248 425 A HA 0.023 4.343 4.320 0.000 0.000 0.210 425 A C 1.587 179.127 177.584 -0.074 0.000 1.174 425 A CA 1.129 53.119 52.037 -0.077 0.000 0.750 425 A CB -0.856 18.121 19.000 -0.037 0.000 0.780 425 A HN 0.576 nan 8.150 nan 0.000 0.478 426 L N -2.251 118.958 121.223 -0.023 0.000 2.766 426 L HA 0.253 4.593 4.340 0.000 0.000 0.242 426 L C 1.293 178.137 176.870 -0.044 0.000 1.136 426 L CA 0.181 55.009 54.840 -0.019 0.000 0.933 426 L CB 0.194 42.267 42.059 0.023 0.000 1.241 426 L HN 0.313 nan 8.230 nan 0.000 0.522 427 N N -1.800 116.862 118.700 -0.064 0.000 2.266 427 N HA 0.110 4.850 4.740 0.000 0.000 0.217 427 N C 0.268 175.530 175.510 -0.414 0.000 1.211 427 N CA 0.069 53.018 53.050 -0.168 0.000 0.881 427 N CB 0.706 39.146 38.487 -0.078 0.000 1.153 427 N HN 0.127 nan 8.380 nan 0.000 0.489 428 Y N -0.146 119.904 120.300 -0.416 0.000 2.706 428 Y HA 0.303 4.853 4.550 0.000 0.000 0.255 428 Y C 1.330 177.054 175.900 -0.293 0.000 1.163 428 Y CA -0.601 57.249 58.100 -0.416 0.000 1.174 428 Y CB 0.166 38.175 38.460 -0.752 0.000 1.200 428 Y HN 0.016 nan 8.280 nan 0.000 0.544 429 N N 1.783 120.407 118.700 -0.127 0.000 2.064 429 N HA -0.251 4.489 4.740 0.000 0.000 0.200 429 N C 1.509 177.008 175.510 -0.018 0.000 1.028 429 N CA 2.097 55.098 53.050 -0.083 0.000 0.880 429 N CB 0.117 38.561 38.487 -0.072 0.000 1.062 429 N HN 0.390 nan 8.380 nan 0.000 0.454 430 R N -0.807 119.682 120.500 -0.018 0.000 2.254 430 R HA 0.324 4.664 4.340 0.000 0.000 0.193 430 R C 2.256 178.576 176.300 0.033 0.000 0.929 430 R CA 0.057 56.164 56.100 0.011 0.000 1.038 430 R CB 0.219 30.512 30.300 -0.011 0.000 1.009 430 R HN 0.261 nan 8.270 nan 0.000 0.512 431 I N 0.425 121.008 120.570 0.022 0.000 2.614 431 I HA -0.171 3.999 4.170 0.000 0.000 0.258 431 I C 0.979 177.167 176.117 0.118 0.000 1.189 431 I CA 0.603 61.934 61.300 0.051 0.000 1.462 431 I CB -0.389 37.628 38.000 0.027 0.000 1.092 431 I HN 0.177 nan 8.210 nan 0.000 0.442 432 H N 2.676 121.775 119.070 0.049 0.000 2.897 432 H HA 0.071 4.627 4.556 0.000 0.000 0.347 432 H C 0.233 175.601 175.328 0.067 0.000 1.068 432 H CA 0.263 56.359 56.048 0.081 0.000 1.426 432 H CB 0.491 30.285 29.762 0.053 0.000 1.410 432 H HN -0.054 nan 8.280 nan 0.000 0.597 433 K N 4.418 124.484 120.400 -0.558 0.000 2.292 433 K HA 0.165 4.485 4.320 0.000 0.000 0.270 433 K C -0.876 175.457 176.600 -0.445 0.000 1.062 433 K CA -0.778 55.302 56.287 -0.344 0.000 0.916 433 K CB 0.189 32.576 32.500 -0.188 0.000 1.166 433 K HN 0.657 nan 8.250 nan 0.000 0.458 434 N N 5.414 124.043 118.700 -0.118 0.000 2.422 434 N HA 0.245 4.985 4.740 0.000 0.000 0.264 434 N C -2.596 172.926 175.510 0.021 0.000 1.063 434 N CA -1.316 51.764 53.050 0.050 0.000 0.959 434 N CB 1.528 40.112 38.487 0.162 0.000 1.087 434 N HN 0.397 nan 8.380 nan 0.000 0.483 435 P HA 0.344 nan 4.420 nan 0.000 0.293 435 P C -1.516 175.517 177.300 -0.446 0.000 1.427 435 P CA -0.416 62.622 63.100 -0.103 0.000 1.031 435 P CB 0.291 31.924 31.700 -0.113 0.000 1.035 436 Y N 2.966 123.290 120.300 0.040 0.000 2.387 436 Y HA 0.565 5.115 4.550 0.000 0.000 0.336 436 Y C -1.590 174.331 175.900 0.034 0.000 1.067 436 Y CA -2.703 55.416 58.100 0.031 0.000 1.114 436 Y CB 0.142 38.616 38.460 0.023 0.000 1.208 436 Y HN 0.257 nan 8.280 nan 0.000 0.458 437 P HA 0.093 nan 4.420 nan 0.000 0.274 437 P C 0.150 177.508 177.300 0.097 0.000 1.264 437 P CA -0.351 62.813 63.100 0.106 0.000 0.795 437 P CB 0.807 32.556 31.700 0.082 0.000 1.064 438 L N -0.652 120.612 121.223 0.068 0.000 2.656 438 L HA 0.048 4.389 4.340 0.000 0.000 0.149 438 L C 0.981 177.878 176.870 0.045 0.000 1.500 438 L CA 0.755 55.627 54.840 0.054 0.000 2.484 438 L CB -0.433 41.650 42.059 0.040 0.000 2.776 438 L HN 0.330 nan 8.230 nan 0.000 0.674 439 D N -1.880 118.540 120.400 0.033 0.000 3.106 439 D HA 0.411 5.051 4.640 0.000 0.000 0.216 439 D C -0.553 175.759 176.300 0.020 0.000 1.540 439 D CA 0.240 54.255 54.000 0.025 0.000 1.389 439 D CB 0.455 41.267 40.800 0.021 0.000 1.080 439 D HN 0.471 nan 8.370 nan 0.000 0.270 440 A N 0.000 122.830 122.820 0.016 0.000 2.254 440 A HA 0.000 4.320 4.320 0.000 0.000 0.244 440 A CA 0.000 52.045 52.037 0.013 0.000 0.836 440 A CB 0.000 19.006 19.000 0.010 0.000 0.831 440 A HN 0.000 nan 8.150 nan 0.000 0.486