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 3a0b_1_B DATA FIRST_RESID 5 DATA SEQUENCE WYRVHTVLIN DPGRLIAAHL MHTALVAGWA GSMALYELAT FDPSDPVLNP DATA SEQUENCE MWRQGMFVLP FMARLGVTGS WSGWSITGET GIDPGFWSFE GVALAHIVLS DATA SEQUENCE GLLFLAACWH WVYWDLELFR DPRTGEPALD LPKMFGIHLF LAGLLCFGFG DATA SEQUENCE AFHLTGLFGP GMWVSDPYGL TGSVQPVAPE WGPDGFNPYN PGGVVAHHIA DATA SEQUENCE AGIVGIIAGL FHILVRPPQR LYKALRMGNI ETVLSSSIAA VFFAAFVVAG DATA SEQUENCE TMWYGSATTP IELFGPTRYQ WDSSYFQQEI NRRVQASLAS GATLEEAWSA DATA SEQUENCE IPEKLAFYDY IGNNPAKGGL FRTGPMNKGD GIAQAWKGHA VFRNKEGEEL DATA SEQUENCE FVRRMPAFFE SFPVILTDKN GVVKADIPFR RAESKYSFEQ QGVTVSFYGG DATA SEQUENCE ELNGQTFTDP PTVKSYARKA IFGEIFEFDT ETLNSDGIFR TSPRGWFTFA DATA SEQUENCE HAVFALLFFF GHIWHGARTL FRDVFSGIDP ELSPE 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 5 W HA 0.000 nan 4.660 nan 0.000 0.303 5 W C 0.000 176.682 176.519 0.272 0.000 1.175 5 W CA 0.000 57.396 57.345 0.085 0.000 1.226 5 W CB 0.000 29.443 29.460 -0.028 0.000 1.126 6 Y N 2.107 120.777 120.300 -2.717 0.000 2.617 6 Y HA 0.134 4.687 4.550 0.006 0.000 0.284 6 Y C 1.683 177.083 175.900 -0.833 0.000 1.162 6 Y CA 1.531 58.317 58.100 -2.190 0.000 1.399 6 Y CB -0.647 36.865 38.460 -1.581 0.000 0.962 6 Y HN -0.098 nan 8.280 nan 0.000 0.576 7 R N -0.622 119.622 120.500 -0.427 0.000 2.504 7 R HA 0.114 4.457 4.340 0.006 0.000 0.341 7 R C 1.453 177.651 176.300 -0.170 0.000 0.905 7 R CA 0.364 56.233 56.100 -0.385 0.000 1.133 7 R CB 0.036 29.954 30.300 -0.636 0.000 1.704 7 R HN 0.294 nan 8.270 nan 0.000 0.503 8 V N 0.904 120.745 119.914 -0.122 0.000 2.944 8 V HA -0.215 3.908 4.120 0.006 0.000 0.265 8 V C 0.779 176.814 176.094 -0.098 0.000 1.125 8 V CA 1.938 64.178 62.300 -0.100 0.000 1.145 8 V CB -0.519 31.229 31.823 -0.125 0.000 0.725 8 V HN 0.365 nan 8.190 nan 0.000 0.510 9 H N -1.664 117.400 119.070 -0.009 0.000 2.469 9 H HA 0.181 4.741 4.556 0.006 0.000 0.286 9 H C 1.436 176.748 175.328 -0.027 0.000 1.106 9 H CA 0.359 56.410 56.048 0.005 0.000 1.055 9 H CB 0.483 30.262 29.762 0.028 0.000 1.618 9 H HN 0.363 nan 8.280 nan 0.000 0.559 10 T N -0.351 114.230 114.554 0.046 0.000 3.044 10 T HA -0.064 4.290 4.350 0.006 0.000 0.250 10 T C 2.043 176.735 174.700 -0.013 0.000 1.081 10 T CA 0.533 62.619 62.100 -0.023 0.000 1.040 10 T CB 0.093 68.907 68.868 -0.090 0.000 0.962 10 T HN 0.322 nan 8.240 nan 0.000 0.506 11 V N 0.079 120.008 119.914 0.025 0.000 3.398 11 V HA 0.128 4.251 4.120 0.006 0.000 0.275 11 V C 1.199 177.313 176.094 0.033 0.000 1.207 11 V CA 1.295 63.614 62.300 0.033 0.000 1.189 11 V CB -1.418 30.446 31.823 0.067 0.000 0.838 11 V HN 0.505 nan 8.190 nan 0.000 0.546 12 L N -0.968 120.262 121.223 0.012 0.000 3.039 12 L HA 0.333 4.677 4.340 0.006 0.000 0.269 12 L C 1.986 178.825 176.870 -0.052 0.000 1.169 12 L CA 0.062 54.896 54.840 -0.010 0.000 0.986 12 L CB 0.182 42.232 42.059 -0.015 0.000 1.377 12 L HN 0.343 nan 8.230 nan 0.000 0.575 13 I N -0.000 120.533 120.570 -0.062 0.000 2.479 13 I HA -0.267 3.906 4.170 0.006 0.000 0.258 13 I C 1.899 177.965 176.117 -0.086 0.000 1.165 13 I CA 1.549 62.796 61.300 -0.088 0.000 1.422 13 I CB -1.039 36.898 38.000 -0.106 0.000 1.087 13 I HN 0.449 nan 8.210 nan 0.000 0.441 14 N N 2.238 120.896 118.700 -0.070 0.000 2.604 14 N HA -0.047 4.696 4.740 0.006 0.000 0.234 14 N C 0.234 175.683 175.510 -0.103 0.000 1.064 14 N CA 0.506 53.511 53.050 -0.075 0.000 1.202 14 N CB -1.371 37.088 38.487 -0.048 0.000 1.575 14 N HN 0.459 nan 8.380 nan 0.000 0.619 15 D N 3.422 123.783 120.400 -0.065 0.000 2.433 15 D HA 0.012 4.656 4.640 0.006 0.000 0.274 15 D C -1.714 174.487 176.300 -0.164 0.000 1.344 15 D CA -1.118 52.825 54.000 -0.094 0.000 0.989 15 D CB 0.421 41.280 40.800 0.098 0.000 1.116 15 D HN 0.288 nan 8.370 nan 0.000 0.533 16 P HA -0.037 nan 4.420 nan 0.000 0.259 16 P C 1.056 178.273 177.300 -0.138 0.000 1.307 16 P CA 0.145 63.015 63.100 -0.383 0.000 0.768 16 P CB 0.269 31.624 31.700 -0.574 0.000 1.199 17 G N 2.177 111.045 108.800 0.114 0.000 2.654 17 G HA2 -0.180 3.783 3.960 0.006 0.000 0.215 17 G HA3 -0.180 3.783 3.960 0.006 0.000 0.215 17 G C 1.354 176.486 174.900 0.387 0.000 1.310 17 G CA 0.111 45.620 45.100 0.682 0.000 0.866 17 G HN 0.164 nan 8.290 nan 0.000 0.558 18 R N 0.504 121.135 120.500 0.219 0.000 2.346 18 R HA 0.254 4.598 4.340 0.006 0.000 0.199 18 R C 1.904 178.302 176.300 0.162 0.000 1.015 18 R CA -0.074 56.134 56.100 0.181 0.000 1.058 18 R CB -0.241 30.076 30.300 0.028 0.000 0.921 18 R HN 0.265 nan 8.270 nan 0.000 0.475 19 L N 0.025 121.299 121.223 0.086 0.000 2.253 19 L HA 0.122 4.465 4.340 0.006 0.000 0.205 19 L C 1.569 178.371 176.870 -0.113 0.000 1.078 19 L CA 1.431 56.238 54.840 -0.055 0.000 0.805 19 L CB -0.129 41.858 42.059 -0.121 0.000 0.963 19 L HN 0.197 nan 8.230 nan 0.000 0.459 20 I N 0.411 120.988 120.570 0.011 0.000 2.353 20 I HA -0.190 3.984 4.170 0.006 0.000 0.248 20 I C 2.714 178.854 176.117 0.038 0.000 1.119 20 I CA 0.952 62.247 61.300 -0.008 0.000 1.417 20 I CB -0.526 37.420 38.000 -0.090 0.000 1.078 20 I HN 0.211 nan 8.210 nan 0.000 0.421 21 A N 1.089 123.987 122.820 0.131 0.000 1.978 21 A HA -0.151 4.172 4.320 0.006 0.000 0.220 21 A C 2.558 180.229 177.584 0.146 0.000 1.170 21 A CA 1.813 53.964 52.037 0.191 0.000 0.636 21 A CB -0.623 18.556 19.000 0.300 0.000 0.810 21 A HN 0.436 nan 8.150 nan 0.000 0.448 22 A N -0.620 122.261 122.820 0.102 0.000 1.845 22 A HA -0.195 4.129 4.320 0.006 0.000 0.215 22 A C 1.969 179.649 177.584 0.160 0.000 1.195 22 A CA 1.669 53.755 52.037 0.081 0.000 0.616 22 A CB -1.116 17.870 19.000 -0.023 0.000 0.832 22 A HN 0.734 nan 8.150 nan 0.000 0.443 23 H N -1.101 117.995 119.070 0.043 0.000 2.387 23 H HA -0.044 4.516 4.556 0.006 0.000 0.299 23 H C 2.060 177.430 175.328 0.070 0.000 1.099 23 H CA 1.047 57.108 56.048 0.022 0.000 1.315 23 H CB -0.094 29.664 29.762 -0.006 0.000 1.380 23 H HN 0.369 nan 8.280 nan 0.000 0.513 24 L N 0.159 121.503 121.223 0.202 0.000 2.187 24 L HA -0.205 4.139 4.340 0.006 0.000 0.213 24 L C 2.038 179.008 176.870 0.167 0.000 1.100 24 L CA 0.610 55.540 54.840 0.150 0.000 0.765 24 L CB 0.017 42.149 42.059 0.122 0.000 0.904 24 L HN 0.382 nan 8.230 nan 0.000 0.437 25 M N -1.750 117.958 119.600 0.181 0.000 2.384 25 M HA -0.120 4.364 4.480 0.006 0.000 0.258 25 M C 2.240 178.667 176.300 0.211 0.000 1.130 25 M CA 1.224 56.633 55.300 0.182 0.000 1.187 25 M CB -1.407 31.281 32.600 0.148 0.000 1.307 25 M HN 0.309 nan 8.290 nan 0.000 0.468 26 H N 0.596 119.727 119.070 0.102 0.000 2.330 26 H HA -0.146 4.413 4.556 0.006 0.000 0.290 26 H C 0.060 175.435 175.328 0.078 0.000 1.111 26 H CA 1.972 58.066 56.048 0.078 0.000 1.226 26 H CB -0.419 29.382 29.762 0.066 0.000 1.355 26 H HN 0.201 nan 8.280 nan 0.000 0.485 27 T N 0.801 115.564 114.554 0.348 0.000 3.792 27 T HA 0.447 4.800 4.350 0.006 0.000 0.233 27 T C 0.739 175.541 174.700 0.169 0.000 0.860 27 T CA 0.471 62.719 62.100 0.247 0.000 0.915 27 T CB -0.412 68.580 68.868 0.206 0.000 1.216 27 T HN 0.581 nan 8.240 nan 0.000 0.664 28 A N 0.063 122.973 122.820 0.150 0.000 2.642 28 A HA 0.332 4.655 4.320 0.006 0.000 0.164 28 A C 1.354 179.028 177.584 0.151 0.000 1.594 28 A CA -0.270 51.867 52.037 0.167 0.000 1.137 28 A CB -0.049 19.076 19.000 0.209 0.000 1.353 28 A HN 0.507 nan 8.150 nan 0.000 0.450 29 L N -0.131 121.153 121.223 0.103 0.000 2.408 29 L HA 0.057 4.401 4.340 0.006 0.000 0.215 29 L C 2.123 179.034 176.870 0.068 0.000 1.081 29 L CA 0.693 55.578 54.840 0.076 0.000 0.840 29 L CB 0.081 42.146 42.059 0.009 0.000 1.002 29 L HN 0.241 nan 8.230 nan 0.000 0.468 30 V N 0.268 120.189 119.914 0.011 0.000 2.239 30 V HA -0.143 3.981 4.120 0.006 0.000 0.242 30 V C 2.628 178.830 176.094 0.181 0.000 1.038 30 V CA 1.801 64.115 62.300 0.023 0.000 1.002 30 V CB -0.843 30.971 31.823 -0.015 0.000 0.641 30 V HN 0.403 nan 8.190 nan 0.000 0.449 31 A N 0.550 123.478 122.820 0.180 0.000 2.121 31 A HA 0.022 4.346 4.320 0.006 0.000 0.218 31 A C 2.270 179.985 177.584 0.218 0.000 1.154 31 A CA 1.497 53.675 52.037 0.234 0.000 0.679 31 A CB -1.013 18.154 19.000 0.279 0.000 0.795 31 A HN 0.560 nan 8.150 nan 0.000 0.458 32 G N -1.475 107.441 108.800 0.193 0.000 2.408 32 G HA2 -0.263 3.700 3.960 0.006 0.000 0.217 32 G HA3 -0.263 3.700 3.960 0.006 0.000 0.217 32 G C 1.351 176.354 174.900 0.171 0.000 1.150 32 G CA 0.940 46.136 45.100 0.160 0.000 0.776 32 G HN 0.763 nan 8.290 nan 0.000 0.542 33 W N 1.690 122.998 121.300 0.014 0.000 2.770 33 W HA 0.391 5.055 4.660 0.006 0.000 0.256 33 W C 2.339 178.858 176.519 -0.001 0.000 1.291 33 W CA 0.734 58.084 57.345 0.008 0.000 1.396 33 W CB 0.205 29.663 29.460 -0.004 0.000 1.114 33 W HN 0.271 nan 8.180 nan 0.000 0.637 34 A N 1.399 124.355 122.820 0.226 0.000 1.908 34 A HA -0.174 4.150 4.320 0.006 0.000 0.211 34 A C 2.233 179.665 177.584 -0.253 0.000 1.225 34 A CA 2.417 54.443 52.037 -0.020 0.000 0.689 34 A CB -1.737 17.155 19.000 -0.180 0.000 0.843 34 A HN 0.424 nan 8.150 nan 0.000 0.472 35 G N -1.007 107.715 108.800 -0.130 0.000 2.432 35 G HA2 -0.160 3.804 3.960 0.006 0.000 0.219 35 G HA3 -0.160 3.804 3.960 0.006 0.000 0.219 35 G C 1.940 176.772 174.900 -0.113 0.000 1.135 35 G CA 2.025 47.081 45.100 -0.074 0.000 0.767 35 G HN 1.036 nan 8.290 nan 0.000 0.550 36 S N 0.291 115.904 115.700 -0.146 0.000 2.368 36 S HA -0.158 4.315 4.470 0.006 0.000 0.225 36 S C 2.320 176.782 174.600 -0.230 0.000 1.030 36 S CA 1.856 59.967 58.200 -0.149 0.000 0.999 36 S CB -0.331 62.779 63.200 -0.150 0.000 0.844 36 S HN 0.227 nan 8.310 nan 0.000 0.459 37 M N 2.579 121.880 119.600 -0.498 0.000 2.117 37 M HA 0.174 4.657 4.480 0.006 0.000 0.262 37 M C 2.202 178.395 176.300 -0.178 0.000 1.065 37 M CA 1.536 56.539 55.300 -0.496 0.000 1.114 37 M CB -1.058 30.880 32.600 -1.103 0.000 1.361 37 M HN 0.432 nan 8.290 nan 0.000 0.408 38 A N 0.097 122.813 122.820 -0.174 0.000 1.902 38 A HA -0.108 4.216 4.320 0.006 0.000 0.217 38 A C 2.134 179.716 177.584 -0.004 0.000 1.181 38 A CA 1.753 53.756 52.037 -0.058 0.000 0.623 38 A CB -1.102 17.874 19.000 -0.040 0.000 0.818 38 A HN 0.591 nan 8.150 nan 0.000 0.443 39 L N -2.099 119.126 121.223 0.003 0.000 2.046 39 L HA -0.199 4.145 4.340 0.006 0.000 0.208 39 L C 2.632 179.552 176.870 0.083 0.000 1.077 39 L CA 1.922 56.787 54.840 0.043 0.000 0.747 39 L CB -0.905 41.180 42.059 0.043 0.000 0.896 39 L HN 0.548 nan 8.230 nan 0.000 0.432 40 Y N 1.385 121.655 120.300 -0.050 0.000 2.089 40 Y HA -0.252 4.301 4.550 0.005 0.000 0.282 40 Y C 2.679 178.585 175.900 0.009 0.000 1.139 40 Y CA 1.519 59.601 58.100 -0.030 0.000 1.123 40 Y CB -0.385 38.035 38.460 -0.067 0.000 0.980 40 Y HN 0.148 nan 8.280 nan 0.000 0.493 41 E N -0.174 119.909 120.200 -0.195 0.000 2.033 41 E HA -0.274 4.080 4.350 0.006 0.000 0.199 41 E C 2.213 178.753 176.600 -0.100 0.000 1.011 41 E CA 1.641 57.919 56.400 -0.204 0.000 0.815 41 E CB -0.786 28.888 29.700 -0.045 0.000 0.755 41 E HN 0.382 nan 8.360 nan 0.000 0.451 42 L N 1.091 122.309 121.223 -0.009 0.000 1.997 42 L HA -0.190 4.153 4.340 0.006 0.000 0.216 42 L C 2.179 179.095 176.870 0.077 0.000 1.074 42 L CA 2.105 56.989 54.840 0.075 0.000 0.763 42 L CB -0.902 41.202 42.059 0.074 0.000 0.890 42 L HN 0.086 nan 8.230 nan 0.000 0.434 43 A N -2.746 120.087 122.820 0.022 0.000 2.247 43 A HA 0.025 4.349 4.320 0.006 0.000 0.205 43 A C 1.270 178.835 177.584 -0.032 0.000 1.261 43 A CA 1.514 53.567 52.037 0.027 0.000 0.853 43 A CB -0.711 18.330 19.000 0.068 0.000 0.793 43 A HN 0.537 nan 8.150 nan 0.000 0.487 44 T N -2.385 112.125 114.554 -0.073 0.000 3.328 44 T HA 0.144 4.498 4.350 0.006 0.000 0.297 44 T C -0.096 174.565 174.700 -0.065 0.000 0.882 44 T CA -0.495 61.543 62.100 -0.103 0.000 0.906 44 T CB -0.374 68.364 68.868 -0.217 0.000 1.210 44 T HN 0.393 nan 8.240 nan 0.000 0.631 45 F N 3.841 123.702 119.950 -0.149 0.000 2.462 45 F HA 0.481 5.011 4.527 0.005 0.000 0.354 45 F C 0.085 175.739 175.800 -0.245 0.000 1.192 45 F CA -1.220 56.675 58.000 -0.176 0.000 1.173 45 F CB 0.051 38.956 39.000 -0.158 0.000 1.402 45 F HN -0.078 nan 8.300 nan 0.000 0.595 46 D N 8.584 128.535 120.400 -0.748 0.000 2.346 46 D HA 0.057 4.701 4.640 0.006 0.000 0.267 46 D C -1.471 174.078 176.300 -1.252 0.000 1.320 46 D CA -1.671 51.875 54.000 -0.757 0.000 0.951 46 D CB 0.970 41.501 40.800 -0.449 0.000 1.079 46 D HN 0.308 nan 8.370 nan 0.000 0.509 47 P HA -0.137 nan 4.420 nan 0.000 0.227 47 P C 1.223 178.070 177.300 -0.754 0.000 1.161 47 P CA 0.466 62.724 63.100 -1.402 0.000 0.788 47 P CB 0.016 30.517 31.700 -1.999 0.000 0.822 48 S N -0.897 114.458 115.700 -0.575 0.000 2.455 48 S HA -0.209 4.265 4.470 0.006 0.000 0.252 48 S C 0.829 175.271 174.600 -0.264 0.000 1.075 48 S CA 1.562 59.558 58.200 -0.341 0.000 1.038 48 S CB -1.053 61.984 63.200 -0.271 0.000 0.835 48 S HN 0.319 nan 8.310 nan 0.000 0.482 49 D N 0.115 120.335 120.400 -0.300 0.000 2.947 49 D HA 0.310 4.954 4.640 0.006 0.000 0.224 49 D C -2.890 173.301 176.300 -0.182 0.000 1.230 49 D CA -1.535 52.340 54.000 -0.209 0.000 0.871 49 D CB 2.396 43.074 40.800 -0.204 0.000 1.671 49 D HN 0.021 nan 8.370 nan 0.000 0.507 50 P HA 0.158 nan 4.420 nan 0.000 0.300 50 P C 0.819 178.109 177.300 -0.016 0.000 1.349 50 P CA -0.053 63.032 63.100 -0.024 0.000 1.054 50 P CB 1.586 33.325 31.700 0.064 0.000 1.548 51 V N -0.104 119.767 119.914 -0.071 0.000 2.949 51 V HA 0.143 4.266 4.120 0.006 0.000 0.245 51 V C 1.932 177.911 176.094 -0.192 0.000 1.086 51 V CA 1.143 63.401 62.300 -0.070 0.000 1.097 51 V CB -0.127 31.652 31.823 -0.073 0.000 0.762 51 V HN -0.019 nan 8.190 nan 0.000 0.470 52 L N -0.730 120.275 121.223 -0.363 0.000 2.966 52 L HA 0.381 4.725 4.340 0.006 0.000 0.262 52 L C 0.466 177.014 176.870 -0.536 0.000 1.165 52 L CA 0.208 54.562 54.840 -0.810 0.000 0.978 52 L CB 0.477 42.031 42.059 -0.842 0.000 1.337 52 L HN 0.283 nan 8.230 nan 0.000 0.563 53 N N 0.976 119.482 118.700 -0.323 0.000 2.711 53 N HA 0.201 4.944 4.740 0.006 0.000 0.263 53 N C -2.735 172.617 175.510 -0.263 0.000 1.667 53 N CA -1.281 51.604 53.050 -0.275 0.000 0.785 53 N CB 1.366 39.695 38.487 -0.264 0.000 1.231 53 N HN -0.125 nan 8.380 nan 0.000 0.503 54 P HA 0.059 nan 4.420 nan 0.000 0.276 54 P C 1.286 178.461 177.300 -0.210 0.000 1.244 54 P CA -0.424 62.479 63.100 -0.329 0.000 0.801 54 P CB 0.883 32.214 31.700 -0.615 0.000 1.006 55 M N 1.173 120.841 119.600 0.113 0.000 2.116 55 M HA -0.164 4.320 4.480 0.006 0.000 0.255 55 M C 1.800 178.174 176.300 0.122 0.000 1.075 55 M CA 2.190 57.595 55.300 0.174 0.000 1.087 55 M CB -1.391 31.098 32.600 -0.186 0.000 1.340 55 M HN 0.439 nan 8.290 nan 0.000 0.402 56 W N 0.309 121.674 121.300 0.109 0.000 2.825 56 W HA 0.071 4.735 4.660 0.006 0.000 0.243 56 W C 1.431 178.021 176.519 0.118 0.000 1.293 56 W CA -0.171 57.233 57.345 0.099 0.000 1.403 56 W CB -0.731 28.772 29.460 0.071 0.000 1.134 56 W HN 0.217 nan 8.180 nan 0.000 0.666 57 R N 1.641 122.075 120.500 -0.110 0.000 2.043 57 R HA -0.061 4.282 4.340 0.006 0.000 0.221 57 R C 1.259 177.629 176.300 0.116 0.000 1.196 57 R CA 1.256 57.320 56.100 -0.060 0.000 0.949 57 R CB -1.170 28.971 30.300 -0.264 0.000 0.838 57 R HN 0.415 nan 8.270 nan 0.000 0.446 58 Q N 1.452 121.285 119.800 0.055 0.000 2.489 58 Q HA 0.245 4.588 4.340 0.006 0.000 0.231 58 Q C 0.038 176.119 176.000 0.134 0.000 1.273 58 Q CA 0.067 55.919 55.803 0.083 0.000 0.898 58 Q CB -0.231 28.525 28.738 0.031 0.000 1.545 58 Q HN 0.240 nan 8.270 nan 0.000 0.538 59 G N 4.704 113.605 108.800 0.169 0.000 2.889 59 G HA2 -0.078 3.885 3.960 0.006 0.000 0.299 59 G HA3 -0.078 3.885 3.960 0.006 0.000 0.299 59 G C -0.327 174.669 174.900 0.160 0.000 0.318 59 G CA -0.052 45.160 45.100 0.188 0.000 1.186 59 G HN 0.640 nan 8.290 nan 0.000 0.189 60 M N 3.335 123.049 119.600 0.190 0.000 2.124 60 M HA 0.269 4.753 4.480 0.006 0.000 0.280 60 M C -0.137 176.291 176.300 0.214 0.000 0.954 60 M CA -0.888 54.500 55.300 0.147 0.000 0.958 60 M CB 1.684 34.323 32.600 0.064 0.000 1.611 60 M HN 0.543 nan 8.290 nan 0.000 0.449 61 F N 3.042 123.054 119.950 0.103 0.000 2.505 61 F HA 0.135 4.666 4.527 0.006 0.000 0.289 61 F C 1.245 177.235 175.800 0.317 0.000 1.101 61 F CA 1.053 59.161 58.000 0.181 0.000 1.446 61 F CB 0.563 39.706 39.000 0.238 0.000 1.123 61 F HN 0.359 nan 8.300 nan 0.000 0.564 62 V N -0.361 119.603 119.914 0.084 0.000 2.795 62 V HA -0.069 4.055 4.120 0.006 0.000 0.243 62 V C 2.132 178.302 176.094 0.126 0.000 1.069 62 V CA 0.848 63.211 62.300 0.105 0.000 1.089 62 V CB -0.325 31.535 31.823 0.062 0.000 0.756 62 V HN 0.273 nan 8.190 nan 0.000 0.471 63 L N 1.975 123.234 121.223 0.061 0.000 1.956 63 L HA -0.124 4.219 4.340 0.006 0.000 0.216 63 L C 0.218 177.120 176.870 0.053 0.000 1.073 63 L CA 2.829 57.709 54.840 0.067 0.000 0.762 63 L CB -1.464 40.524 42.059 -0.119 0.000 0.889 63 L HN 0.255 nan 8.230 nan 0.000 0.433 64 P HA -0.284 nan 4.420 nan 0.000 0.219 64 P C 1.631 178.884 177.300 -0.078 0.000 1.153 64 P CA 2.115 65.185 63.100 -0.050 0.000 0.865 64 P CB -0.410 31.344 31.700 0.090 0.000 0.788 65 F N -1.105 118.909 119.950 0.108 0.000 2.293 65 F HA -0.034 4.497 4.527 0.006 0.000 0.300 65 F C 2.828 178.622 175.800 -0.011 0.000 1.086 65 F CA 0.965 58.999 58.000 0.057 0.000 1.375 65 F CB -1.038 37.948 39.000 -0.023 0.000 1.045 65 F HN -0.186 nan 8.300 nan 0.000 0.516 66 M N -0.222 119.444 119.600 0.111 0.000 2.062 66 M HA -0.121 4.363 4.480 0.006 0.000 0.259 66 M C 2.718 178.987 176.300 -0.051 0.000 1.076 66 M CA 1.620 56.895 55.300 -0.043 0.000 1.122 66 M CB -1.130 31.339 32.600 -0.217 0.000 1.312 66 M HN 0.139 nan 8.290 nan 0.000 0.412 67 A N 1.945 124.756 122.820 -0.016 0.000 1.882 67 A HA -0.321 4.003 4.320 0.006 0.000 0.220 67 A C 2.106 179.773 177.584 0.138 0.000 1.253 67 A CA 3.290 55.384 52.037 0.094 0.000 0.664 67 A CB -1.383 17.650 19.000 0.056 0.000 0.838 67 A HN 0.646 nan 8.150 nan 0.000 0.460 68 R N -0.427 120.078 120.500 0.008 0.000 2.191 68 R HA -0.207 4.137 4.340 0.006 0.000 0.248 68 R C 1.694 178.089 176.300 0.158 0.000 1.127 68 R CA 2.337 58.471 56.100 0.057 0.000 0.943 68 R CB -1.023 29.253 30.300 -0.040 0.000 0.891 68 R HN 0.469 nan 8.270 nan 0.000 0.439 69 L N 0.146 121.450 121.223 0.135 0.000 2.599 69 L HA 0.211 4.554 4.340 0.006 0.000 0.230 69 L C 1.408 178.368 176.870 0.150 0.000 1.141 69 L CA 0.519 55.472 54.840 0.187 0.000 0.877 69 L CB 0.465 42.622 42.059 0.164 0.000 1.009 69 L HN 0.839 nan 8.230 nan 0.000 0.447 70 G N -0.747 108.099 108.800 0.077 0.000 3.145 70 G HA2 -0.244 3.719 3.960 0.006 0.000 0.195 70 G HA3 -0.244 3.719 3.960 0.006 0.000 0.195 70 G C 0.053 174.931 174.900 -0.038 0.000 2.278 70 G CA -0.071 45.033 45.100 0.006 0.000 1.441 70 G HN -0.114 nan 8.290 nan 0.000 0.452 71 V N 3.816 123.642 119.914 -0.146 0.000 2.536 71 V HA 0.386 4.509 4.120 0.006 0.000 0.287 71 V C 1.501 177.326 176.094 -0.449 0.000 0.979 71 V CA 2.638 64.751 62.300 -0.311 0.000 1.161 71 V CB 0.520 32.055 31.823 -0.479 0.000 0.915 71 V HN 1.306 nan 8.190 nan 0.000 0.467 72 T N 2.288 116.778 114.554 -0.107 0.000 3.009 72 T HA 0.353 4.706 4.350 0.006 0.000 0.267 72 T C 0.703 175.755 174.700 0.587 0.000 0.942 72 T CA 0.384 62.678 62.100 0.324 0.000 0.883 72 T CB 0.272 69.358 68.868 0.364 0.000 1.192 72 T HN 0.921 nan 8.240 nan 0.000 0.524 73 G N 1.595 110.573 108.800 0.296 0.000 2.425 73 G HA2 0.547 4.510 3.960 0.006 0.000 0.302 73 G HA3 0.547 4.510 3.960 0.006 0.000 0.302 73 G C -0.526 174.478 174.900 0.173 0.000 1.159 73 G CA -0.324 44.904 45.100 0.213 0.000 0.865 73 G HN 0.640 nan 8.290 nan 0.000 0.515 74 S N -0.232 115.378 115.700 -0.150 0.000 2.549 74 S HA 0.322 4.795 4.470 0.006 0.000 0.280 74 S C -0.077 174.438 174.600 -0.142 0.000 1.109 74 S CA -0.832 57.169 58.200 -0.331 0.000 0.905 74 S CB 1.366 63.853 63.200 -1.188 0.000 1.081 74 S HN 0.573 nan 8.310 nan 0.000 0.477 75 W N 1.787 122.989 121.300 -0.164 0.000 2.747 75 W HA 0.142 4.805 4.660 0.005 0.000 0.244 75 W C 1.873 178.326 176.519 -0.108 0.000 1.270 75 W CA -0.187 57.102 57.345 -0.093 0.000 1.333 75 W CB -1.556 27.889 29.460 -0.024 0.000 1.139 75 W HN 0.716 nan 8.180 nan 0.000 0.662 76 S N -0.770 114.910 115.700 -0.033 0.000 2.436 76 S HA 0.180 4.653 4.470 0.006 0.000 0.228 76 S C 1.906 176.521 174.600 0.026 0.000 1.014 76 S CA 1.283 59.487 58.200 0.006 0.000 0.950 76 S CB 0.007 63.222 63.200 0.026 0.000 0.784 76 S HN 0.424 nan 8.310 nan 0.000 0.504 77 G N 0.414 109.166 108.800 -0.079 0.000 2.211 77 G HA2 -0.148 3.815 3.960 0.006 0.000 0.201 77 G HA3 -0.148 3.815 3.960 0.006 0.000 0.201 77 G C 0.144 175.108 174.900 0.107 0.000 0.997 77 G CA -0.096 45.028 45.100 0.040 0.000 0.652 77 G HN 0.456 nan 8.290 nan 0.000 0.500 78 W N 0.866 122.228 121.300 0.104 0.000 2.600 78 W HA 0.813 5.477 4.660 0.006 0.000 0.517 78 W C 0.367 176.963 176.519 0.129 0.000 1.750 78 W CA -0.097 57.304 57.345 0.093 0.000 1.805 78 W CB 0.328 29.825 29.460 0.063 0.000 2.314 78 W HN 0.926 nan 8.180 nan 0.000 0.726 79 S N -0.696 115.441 115.700 0.729 0.000 2.560 79 S HA 0.196 4.669 4.470 0.006 0.000 0.283 79 S C -0.653 174.315 174.600 0.614 0.000 1.141 79 S CA -0.703 57.852 58.200 0.591 0.000 0.902 79 S CB 1.544 64.944 63.200 0.334 0.000 1.104 79 S HN 0.552 nan 8.310 nan 0.000 0.454 80 I N 2.767 123.712 120.570 0.625 0.000 3.434 80 I HA 0.055 4.229 4.170 0.006 0.000 0.308 80 I C 1.329 177.696 176.117 0.417 0.000 1.269 80 I CA 1.191 62.783 61.300 0.487 0.000 1.265 80 I CB -1.292 36.992 38.000 0.474 0.000 1.005 80 I HN 0.849 nan 8.210 nan 0.000 0.554 81 T N -1.924 112.830 114.554 0.333 0.000 2.980 81 T HA 0.506 4.859 4.350 0.006 0.000 0.239 81 T C 1.497 176.296 174.700 0.164 0.000 1.011 81 T CA 0.484 62.715 62.100 0.219 0.000 1.171 81 T CB 0.008 68.964 68.868 0.146 0.000 0.873 81 T HN 0.331 nan 8.240 nan 0.000 0.431 82 G N 1.111 110.008 108.800 0.161 0.000 3.675 82 G HA2 -0.071 3.892 3.960 0.006 0.000 0.206 82 G HA3 -0.071 3.892 3.960 0.006 0.000 0.206 82 G C -0.320 174.648 174.900 0.114 0.000 1.086 82 G CA -0.364 44.801 45.100 0.109 0.000 0.894 82 G HN 0.537 nan 8.290 nan 0.000 0.412 83 E N 1.099 121.367 120.200 0.114 0.000 2.537 83 E HA 0.316 4.670 4.350 0.006 0.000 0.269 83 E C 1.245 177.924 176.600 0.131 0.000 1.038 83 E CA 1.032 57.494 56.400 0.103 0.000 0.977 83 E CB 0.420 30.177 29.700 0.094 0.000 0.973 83 E HN 0.493 nan 8.360 nan 0.000 0.456 84 T N -2.177 112.441 114.554 0.106 0.000 2.969 84 T HA 0.204 4.558 4.350 0.006 0.000 0.258 84 T C 1.119 175.876 174.700 0.095 0.000 0.962 84 T CA -0.057 62.113 62.100 0.117 0.000 0.903 84 T CB 0.451 69.378 68.868 0.099 0.000 1.177 84 T HN 0.485 nan 8.240 nan 0.000 0.511 85 G N 2.356 111.201 108.800 0.075 0.000 4.294 85 G HA2 0.622 4.585 3.960 0.006 0.000 0.301 85 G HA3 0.622 4.585 3.960 0.006 0.000 0.301 85 G C 0.038 174.972 174.900 0.056 0.000 1.321 85 G CA -0.646 44.489 45.100 0.059 0.000 1.190 85 G HN 0.790 nan 8.290 nan 0.000 0.600 86 I N -3.379 117.232 120.570 0.068 0.000 3.524 86 I HA 0.856 5.030 4.170 0.006 0.000 0.312 86 I C -1.942 174.220 176.117 0.075 0.000 1.203 86 I CA -1.321 60.019 61.300 0.066 0.000 0.974 86 I CB 2.739 40.782 38.000 0.071 0.000 1.352 86 I HN 0.077 nan 8.210 nan 0.000 0.475 87 D N -0.161 120.288 120.400 0.082 0.000 3.018 87 D HA 0.120 4.763 4.640 0.006 0.000 0.118 87 D C -2.898 173.472 176.300 0.117 0.000 0.909 87 D CA -0.586 53.475 54.000 0.102 0.000 1.752 87 D CB -0.768 40.090 40.800 0.097 0.000 1.961 87 D HN 0.548 nan 8.370 nan 0.000 0.856 88 P HA 0.259 nan 4.420 nan 0.000 0.270 88 P C 1.193 178.601 177.300 0.181 0.000 1.221 88 P CA 0.210 63.390 63.100 0.133 0.000 0.788 88 P CB 0.509 32.287 31.700 0.129 0.000 0.904 89 G N 0.178 109.072 108.800 0.157 0.000 2.781 89 G HA2 -0.191 3.773 3.960 0.006 0.000 0.157 89 G HA3 -0.191 3.773 3.960 0.006 0.000 0.157 89 G C 0.706 175.812 174.900 0.344 0.000 1.823 89 G CA 0.026 45.223 45.100 0.162 0.000 0.932 89 G HN 0.485 nan 8.290 nan 0.000 0.398 90 F N 0.105 120.024 119.950 -0.051 0.000 2.451 90 F HA 0.139 4.670 4.527 0.006 0.000 0.299 90 F C 0.863 176.501 175.800 -0.270 0.000 1.101 90 F CA -0.548 57.390 58.000 -0.103 0.000 1.436 90 F CB -0.157 38.478 39.000 -0.607 0.000 1.074 90 F HN 0.247 nan 8.300 nan 0.000 0.553 91 W N 2.174 123.510 121.300 0.061 0.000 1.714 91 W HA 0.326 4.990 4.660 0.007 0.000 0.363 91 W C 0.101 176.501 176.519 -0.198 0.000 0.724 91 W CA -0.657 56.575 57.345 -0.189 0.000 1.804 91 W CB -0.149 29.234 29.460 -0.129 0.000 1.900 91 W HN -0.098 nan 8.180 nan 0.000 0.296 92 S N -1.162 114.500 115.700 -0.063 0.000 2.536 92 S HA 0.388 4.861 4.470 0.006 0.000 0.298 92 S C 0.466 174.894 174.600 -0.287 0.000 1.083 92 S CA -0.885 57.202 58.200 -0.188 0.000 0.995 92 S CB 0.851 63.842 63.200 -0.349 0.000 1.058 92 S HN 0.290 nan 8.310 nan 0.000 0.488 93 F N 1.236 121.021 119.950 -0.275 0.000 2.286 93 F HA -0.237 4.293 4.527 0.005 0.000 0.301 93 F C 2.400 178.010 175.800 -0.316 0.000 1.043 93 F CA 1.409 59.273 58.000 -0.226 0.000 1.380 93 F CB -0.550 38.348 39.000 -0.169 0.000 1.087 93 F HN 0.603 nan 8.300 nan 0.000 0.537 94 E N 0.307 120.269 120.200 -0.396 0.000 2.008 94 E HA -0.091 4.263 4.350 0.006 0.000 0.191 94 E C 2.659 178.874 176.600 -0.641 0.000 0.986 94 E CA 1.223 57.234 56.400 -0.648 0.000 0.807 94 E CB -1.357 27.540 29.700 -1.338 0.000 0.766 94 E HN 0.382 nan 8.360 nan 0.000 0.450 95 G N 1.948 110.197 108.800 -0.920 0.000 2.421 95 G HA2 -0.227 3.736 3.960 0.006 0.000 0.216 95 G HA3 -0.227 3.736 3.960 0.006 0.000 0.216 95 G C 1.905 176.678 174.900 -0.211 0.000 1.171 95 G CA 1.523 46.207 45.100 -0.694 0.000 0.775 95 G HN 0.154 nan 8.290 nan 0.000 0.543 96 V N 1.834 121.718 119.914 -0.050 0.000 2.233 96 V HA -0.288 3.835 4.120 0.006 0.000 0.252 96 V C 3.332 179.492 176.094 0.111 0.000 1.063 96 V CA 2.529 64.828 62.300 -0.001 0.000 1.032 96 V CB -1.216 30.537 31.823 -0.117 0.000 0.645 96 V HN 0.538 nan 8.190 nan 0.000 0.446 97 A N -0.288 122.546 122.820 0.022 0.000 1.828 97 A HA -0.227 4.097 4.320 0.006 0.000 0.215 97 A C 2.192 179.837 177.584 0.102 0.000 1.203 97 A CA 2.232 54.302 52.037 0.055 0.000 0.614 97 A CB -0.871 18.125 19.000 -0.008 0.000 0.844 97 A HN 0.471 nan 8.150 nan 0.000 0.445 98 L N -0.154 121.093 121.223 0.040 0.000 2.054 98 L HA -0.276 4.067 4.340 0.006 0.000 0.220 98 L C 2.652 179.623 176.870 0.169 0.000 1.081 98 L CA 2.640 57.544 54.840 0.107 0.000 0.780 98 L CB -0.870 41.274 42.059 0.141 0.000 0.893 98 L HN 0.478 nan 8.230 nan 0.000 0.438 99 A N -0.921 122.000 122.820 0.168 0.000 1.859 99 A HA -0.371 3.952 4.320 0.006 0.000 0.218 99 A C 2.062 179.688 177.584 0.071 0.000 1.242 99 A CA 2.376 54.516 52.037 0.170 0.000 0.661 99 A CB -1.470 17.592 19.000 0.104 0.000 0.842 99 A HN 0.719 nan 8.150 nan 0.000 0.455 100 H N -0.336 118.776 119.070 0.070 0.000 2.321 100 H HA -0.167 4.392 4.556 0.006 0.000 0.295 100 H C 1.967 177.341 175.328 0.077 0.000 1.102 100 H CA 1.773 57.858 56.048 0.062 0.000 1.266 100 H CB -0.390 29.397 29.762 0.042 0.000 1.363 100 H HN 0.392 nan 8.280 nan 0.000 0.492 101 I N -0.038 120.650 120.570 0.197 0.000 2.113 101 I HA -0.277 3.897 4.170 0.006 0.000 0.242 101 I C 2.623 178.808 176.117 0.114 0.000 1.064 101 I CA 1.247 62.626 61.300 0.130 0.000 1.320 101 I CB -1.323 36.740 38.000 0.104 0.000 1.028 101 I HN 0.259 nan 8.210 nan 0.000 0.406 102 V N 1.286 121.274 119.914 0.124 0.000 2.295 102 V HA -0.228 3.896 4.120 0.006 0.000 0.246 102 V C 2.516 178.673 176.094 0.105 0.000 1.049 102 V CA 1.629 63.996 62.300 0.112 0.000 1.024 102 V CB -0.475 31.429 31.823 0.134 0.000 0.648 102 V HN 0.399 nan 8.190 nan 0.000 0.447 103 L N 0.243 121.529 121.223 0.105 0.000 2.021 103 L HA -0.206 4.137 4.340 0.006 0.000 0.215 103 L C 2.573 179.517 176.870 0.123 0.000 1.074 103 L CA 3.021 57.920 54.840 0.097 0.000 0.760 103 L CB -1.501 40.598 42.059 0.068 0.000 0.889 103 L HN 0.594 nan 8.230 nan 0.000 0.433 104 S N -0.063 115.717 115.700 0.134 0.000 2.378 104 S HA -0.171 4.302 4.470 0.006 0.000 0.221 104 S C 2.035 176.730 174.600 0.158 0.000 1.037 104 S CA 1.781 60.070 58.200 0.148 0.000 1.069 104 S CB -0.878 62.399 63.200 0.128 0.000 1.006 104 S HN 0.668 nan 8.310 nan 0.000 0.423 105 G N 1.914 110.768 108.800 0.089 0.000 2.479 105 G HA2 -0.129 3.834 3.960 0.006 0.000 0.220 105 G HA3 -0.129 3.834 3.960 0.006 0.000 0.220 105 G C 1.386 176.382 174.900 0.160 0.000 1.115 105 G CA 0.947 46.073 45.100 0.043 0.000 0.757 105 G HN 0.476 nan 8.290 nan 0.000 0.560 106 L N 0.364 121.677 121.223 0.149 0.000 2.007 106 L HA 0.165 4.508 4.340 0.006 0.000 0.205 106 L C 2.734 179.709 176.870 0.176 0.000 1.073 106 L CA 1.380 56.306 54.840 0.145 0.000 0.744 106 L CB -1.092 41.032 42.059 0.108 0.000 0.898 106 L HN 0.214 nan 8.230 nan 0.000 0.435 107 L N -0.779 120.550 121.223 0.178 0.000 2.017 107 L HA -0.272 4.071 4.340 0.006 0.000 0.208 107 L C 2.631 179.633 176.870 0.220 0.000 1.073 107 L CA 1.687 56.632 54.840 0.174 0.000 0.745 107 L CB -0.910 41.246 42.059 0.162 0.000 0.894 107 L HN 0.251 nan 8.230 nan 0.000 0.432 108 F N 0.990 120.998 119.950 0.098 0.000 2.024 108 F HA -0.359 4.172 4.527 0.006 0.000 0.296 108 F C 2.425 178.289 175.800 0.106 0.000 1.137 108 F CA 1.833 59.894 58.000 0.100 0.000 1.200 108 F CB -0.472 38.579 39.000 0.084 0.000 0.954 108 F HN -0.132 nan 8.300 nan 0.000 0.497 109 L N 0.178 121.671 121.223 0.450 0.000 2.058 109 L HA -0.386 3.957 4.340 0.006 0.000 0.226 109 L C 2.704 179.619 176.870 0.076 0.000 1.089 109 L CA 2.171 57.163 54.840 0.254 0.000 0.799 109 L CB -1.586 40.621 42.059 0.248 0.000 0.900 109 L HN 0.516 nan 8.230 nan 0.000 0.442 110 A N -1.082 121.798 122.820 0.101 0.000 1.970 110 A HA 0.046 4.370 4.320 0.006 0.000 0.216 110 A C 2.475 180.181 177.584 0.204 0.000 1.170 110 A CA 1.170 53.280 52.037 0.122 0.000 0.645 110 A CB -0.431 18.631 19.000 0.103 0.000 0.816 110 A HN 0.448 nan 8.150 nan 0.000 0.447 111 A N -0.450 122.444 122.820 0.123 0.000 1.958 111 A HA -0.258 4.065 4.320 0.006 0.000 0.221 111 A C 2.270 179.942 177.584 0.147 0.000 1.178 111 A CA 1.888 54.006 52.037 0.135 0.000 0.642 111 A CB -1.410 17.607 19.000 0.029 0.000 0.816 111 A HN 0.609 nan 8.150 nan 0.000 0.453 112 C N -3.133 116.176 119.300 0.015 0.000 2.413 112 C HA -0.170 4.293 4.460 0.006 0.000 0.278 112 C C 2.200 177.279 174.990 0.147 0.000 1.224 112 C CA 0.724 59.761 59.018 0.032 0.000 1.732 112 C CB -1.721 25.982 27.740 -0.061 0.000 2.050 112 C HN 0.852 nan 8.230 nan 0.000 0.463 113 W N 1.042 122.278 121.300 -0.107 0.000 2.269 113 W HA -0.255 4.408 4.660 0.005 0.000 0.336 113 W C 2.628 179.041 176.519 -0.177 0.000 1.333 113 W CA 2.359 59.511 57.345 -0.322 0.000 1.299 113 W CB -0.952 28.276 29.460 -0.387 0.000 1.126 113 W HN 0.500 nan 8.180 nan 0.000 0.474 114 H N -2.510 116.707 119.070 0.244 0.000 2.567 114 H HA -0.136 4.423 4.556 0.006 0.000 0.276 114 H C 1.462 176.900 175.328 0.183 0.000 1.016 114 H CA 1.489 57.647 56.048 0.183 0.000 1.186 114 H CB -0.782 29.166 29.762 0.310 0.000 1.351 114 H HN 0.471 nan 8.280 nan 0.000 0.605 115 W N 1.192 122.582 121.300 0.149 0.000 2.644 115 W HA -0.061 4.602 4.660 0.006 0.000 0.279 115 W C 2.173 178.756 176.519 0.105 0.000 1.164 115 W CA 0.836 58.249 57.345 0.115 0.000 1.457 115 W CB -0.142 29.342 29.460 0.040 0.000 1.087 115 W HN -0.088 nan 8.180 nan 0.000 0.573 116 V N -0.875 119.244 119.914 0.342 0.000 2.427 116 V HA -0.190 3.933 4.120 0.006 0.000 0.248 116 V C 0.757 177.027 176.094 0.292 0.000 1.051 116 V CA 1.225 63.707 62.300 0.302 0.000 1.048 116 V CB -1.489 30.570 31.823 0.393 0.000 0.666 116 V HN 0.120 nan 8.190 nan 0.000 0.456 117 Y N 2.178 122.335 120.300 -0.238 0.000 2.880 117 Y HA 0.238 4.791 4.550 0.006 0.000 0.386 117 Y C 1.285 176.988 175.900 -0.328 0.000 1.172 117 Y CA -2.038 55.781 58.100 -0.469 0.000 1.770 117 Y CB -0.757 36.976 38.460 -1.211 0.000 1.809 117 Y HN 0.544 nan 8.280 nan 0.000 0.472 118 W N -1.087 120.061 121.300 -0.254 0.000 2.443 118 W HA 0.014 4.677 4.660 0.005 0.000 0.296 118 W C -0.229 176.279 176.519 -0.018 0.000 1.202 118 W CA 0.311 57.573 57.345 -0.138 0.000 1.312 118 W CB -0.650 28.626 29.460 -0.306 0.000 1.120 118 W HN 0.153 nan 8.180 nan 0.000 0.536 119 D N 2.152 121.845 120.400 -1.179 0.000 2.359 119 D HA 0.322 4.965 4.640 0.006 0.000 0.250 119 D C -0.490 175.510 176.300 -0.501 0.000 1.264 119 D CA 0.253 53.669 54.000 -0.973 0.000 0.911 119 D CB -0.069 40.000 40.800 -1.217 0.000 1.056 119 D HN -0.036 nan 8.370 nan 0.000 0.499 120 L N 2.638 123.686 121.223 -0.292 0.000 2.354 120 L HA 0.365 4.709 4.340 0.006 0.000 0.269 120 L C 1.361 178.142 176.870 -0.147 0.000 1.005 120 L CA -1.072 53.560 54.840 -0.346 0.000 0.819 120 L CB 1.837 43.440 42.059 -0.760 0.000 1.311 120 L HN 0.262 nan 8.230 nan 0.000 0.423 121 E N 2.042 122.164 120.200 -0.130 0.000 1.939 121 E HA -0.257 4.096 4.350 0.006 0.000 0.227 121 E C 1.636 178.251 176.600 0.025 0.000 0.964 121 E CA 2.124 58.495 56.400 -0.049 0.000 0.881 121 E CB -0.225 29.455 29.700 -0.033 0.000 0.810 121 E HN 0.587 nan 8.360 nan 0.000 0.571 122 L N 0.028 121.279 121.223 0.047 0.000 2.671 122 L HA -0.120 4.223 4.340 0.006 0.000 0.236 122 L C 1.834 178.848 176.870 0.241 0.000 1.178 122 L CA 1.500 56.407 54.840 0.111 0.000 0.829 122 L CB -1.927 40.197 42.059 0.108 0.000 0.956 122 L HN 0.205 nan 8.230 nan 0.000 0.455 123 F N 1.903 121.846 119.950 -0.012 0.000 2.451 123 F HA 0.051 4.582 4.527 0.006 0.000 0.299 123 F C 1.659 177.435 175.800 -0.041 0.000 1.101 123 F CA 0.158 58.145 58.000 -0.022 0.000 1.436 123 F CB -0.037 38.929 39.000 -0.056 0.000 1.074 123 F HN 0.325 nan 8.300 nan 0.000 0.553 124 R N -0.023 120.544 120.500 0.111 0.000 2.832 124 R HA 0.315 4.659 4.340 0.006 0.000 0.271 124 R C -0.966 175.343 176.300 0.016 0.000 0.996 124 R CA -0.905 55.206 56.100 0.018 0.000 0.977 124 R CB 0.358 30.650 30.300 -0.013 0.000 1.168 124 R HN -0.075 nan 8.270 nan 0.000 0.482 125 D N 1.975 122.373 120.400 -0.003 0.000 2.351 125 D HA 0.123 4.766 4.640 0.006 0.000 0.251 125 D C -1.258 175.040 176.300 -0.002 0.000 1.137 125 D CA -1.668 52.333 54.000 0.001 0.000 0.879 125 D CB 1.215 42.013 40.800 -0.003 0.000 1.181 125 D HN 0.183 nan 8.370 nan 0.000 0.448 126 P HA -0.197 nan 4.420 nan 0.000 0.210 126 P C 1.127 178.423 177.300 -0.008 0.000 1.191 126 P CA 1.059 64.157 63.100 -0.003 0.000 0.917 126 P CB 0.179 31.879 31.700 0.001 0.000 0.778 127 R N -0.681 119.816 120.500 -0.006 0.000 2.174 127 R HA -0.085 4.259 4.340 0.006 0.000 0.253 127 R C 1.595 177.888 176.300 -0.012 0.000 1.165 127 R CA 1.270 57.365 56.100 -0.008 0.000 0.984 127 R CB -0.889 29.407 30.300 -0.006 0.000 0.873 127 R HN 0.324 nan 8.270 nan 0.000 0.456 128 T N -2.199 112.347 114.554 -0.013 0.000 2.952 128 T HA 0.432 4.786 4.350 0.006 0.000 0.286 128 T C 0.613 175.300 174.700 -0.021 0.000 1.024 128 T CA -0.592 61.498 62.100 -0.017 0.000 1.029 128 T CB 1.839 70.697 68.868 -0.017 0.000 1.094 128 T HN 0.205 nan 8.240 nan 0.000 0.515 129 G N 1.690 110.475 108.800 -0.024 0.000 3.518 129 G HA2 0.374 4.337 3.960 0.006 0.000 0.273 129 G HA3 0.374 4.337 3.960 0.006 0.000 0.273 129 G C -0.037 174.842 174.900 -0.036 0.000 1.199 129 G CA -0.395 44.687 45.100 -0.030 0.000 0.899 129 G HN 0.785 nan 8.290 nan 0.000 0.533 130 E N -0.069 120.110 120.200 -0.035 0.000 2.392 130 E HA 0.607 4.960 4.350 0.006 0.000 0.269 130 E C -3.046 173.527 176.600 -0.046 0.000 0.924 130 E CA -2.511 53.865 56.400 -0.041 0.000 0.784 130 E CB 2.347 32.027 29.700 -0.034 0.000 1.292 130 E HN -0.059 nan 8.360 nan 0.000 0.447 131 P HA 0.423 nan 4.420 nan 0.000 0.282 131 P C -1.102 176.151 177.300 -0.079 0.000 1.249 131 P CA -0.148 62.904 63.100 -0.081 0.000 0.806 131 P CB 1.416 33.048 31.700 -0.113 0.000 0.984 132 A N 2.346 125.113 122.820 -0.088 0.000 2.544 132 A HA 0.650 4.973 4.320 0.006 0.000 0.291 132 A C -1.991 175.549 177.584 -0.073 0.000 1.055 132 A CA -0.626 51.368 52.037 -0.072 0.000 0.651 132 A CB 0.786 19.766 19.000 -0.033 0.000 1.296 132 A HN 0.442 nan 8.150 nan 0.000 0.431 133 L N 1.107 122.294 121.223 -0.059 0.000 2.439 133 L HA 0.363 4.706 4.340 0.006 0.000 0.270 133 L C -0.977 175.873 176.870 -0.033 0.000 0.972 133 L CA -0.750 54.060 54.840 -0.050 0.000 0.836 133 L CB 2.103 44.118 42.059 -0.073 0.000 1.255 133 L HN 0.836 nan 8.230 nan 0.000 0.404 134 D N 3.462 123.850 120.400 -0.020 0.000 2.597 134 D HA 0.099 4.742 4.640 0.006 0.000 0.228 134 D C 1.075 177.351 176.300 -0.041 0.000 1.120 134 D CA -0.178 53.808 54.000 -0.023 0.000 1.083 134 D CB 0.483 41.280 40.800 -0.005 0.000 1.116 134 D HN 0.293 nan 8.370 nan 0.000 0.487 135 L N 3.489 124.672 121.223 -0.066 0.000 1.976 135 L HA -0.146 4.197 4.340 0.006 0.000 0.223 135 L C -0.396 176.466 176.870 -0.014 0.000 1.081 135 L CA 1.678 56.479 54.840 -0.065 0.000 0.784 135 L CB -2.375 39.620 42.059 -0.107 0.000 0.896 135 L HN 0.283 nan 8.230 nan 0.000 0.438 136 P HA -0.204 nan 4.420 nan 0.000 0.219 136 P C 1.584 178.970 177.300 0.144 0.000 1.145 136 P CA 1.572 64.728 63.100 0.094 0.000 0.813 136 P CB -0.004 31.698 31.700 0.003 0.000 0.771 137 K N -0.827 119.603 120.400 0.050 0.000 2.056 137 K HA 0.031 4.354 4.320 0.006 0.000 0.205 137 K C 2.134 178.733 176.600 -0.002 0.000 1.035 137 K CA 1.222 57.526 56.287 0.028 0.000 0.955 137 K CB -0.449 32.053 32.500 0.004 0.000 0.769 137 K HN 0.091 nan 8.250 nan 0.000 0.447 138 M N -0.115 119.452 119.600 -0.055 0.000 2.108 138 M HA -0.205 4.278 4.480 0.006 0.000 0.257 138 M C 2.073 178.210 176.300 -0.272 0.000 1.071 138 M CA 1.813 56.986 55.300 -0.211 0.000 1.093 138 M CB -0.993 31.442 32.600 -0.274 0.000 1.345 138 M HN 0.036 nan 8.290 nan 0.000 0.403 139 F N 2.205 122.019 119.950 -0.227 0.000 2.126 139 F HA 0.014 4.545 4.527 0.006 0.000 0.299 139 F C 2.332 178.122 175.800 -0.016 0.000 1.096 139 F CA 1.601 59.523 58.000 -0.130 0.000 1.255 139 F CB -1.052 37.883 39.000 -0.108 0.000 0.997 139 F HN 0.171 nan 8.300 nan 0.000 0.479 140 G N 1.051 109.784 108.800 -0.112 0.000 2.529 140 G HA2 -0.332 3.631 3.960 0.006 0.000 0.219 140 G HA3 -0.332 3.631 3.960 0.006 0.000 0.219 140 G C 1.538 176.400 174.900 -0.062 0.000 1.177 140 G CA 1.889 46.929 45.100 -0.099 0.000 0.773 140 G HN 0.545 nan 8.290 nan 0.000 0.573 141 I N -2.517 118.063 120.570 0.017 0.000 2.339 141 I HA 0.125 4.298 4.170 0.006 0.000 0.245 141 I C 2.334 178.576 176.117 0.209 0.000 1.096 141 I CA 1.206 62.607 61.300 0.169 0.000 1.408 141 I CB -1.216 36.888 38.000 0.173 0.000 1.092 141 I HN 0.218 nan 8.210 nan 0.000 0.423 142 H N 1.055 120.132 119.070 0.011 0.000 2.265 142 H HA -0.178 4.382 4.556 0.006 0.000 0.293 142 H C 2.271 177.555 175.328 -0.074 0.000 1.089 142 H CA 1.645 57.691 56.048 -0.003 0.000 1.244 142 H CB -0.134 29.655 29.762 0.045 0.000 1.355 142 H HN 0.288 nan 8.280 nan 0.000 0.485 143 L N 0.925 122.089 121.223 -0.098 0.000 1.941 143 L HA -0.257 4.086 4.340 0.006 0.000 0.224 143 L C 2.456 179.292 176.870 -0.057 0.000 1.081 143 L CA 1.900 56.597 54.840 -0.238 0.000 0.784 143 L CB -1.278 40.334 42.059 -0.745 0.000 0.894 143 L HN 0.248 nan 8.230 nan 0.000 0.436 144 F N 0.587 120.460 119.950 -0.129 0.000 2.053 144 F HA -0.351 4.180 4.527 0.006 0.000 0.295 144 F C 2.399 178.192 175.800 -0.012 0.000 1.102 144 F CA 2.451 60.422 58.000 -0.048 0.000 1.225 144 F CB -0.958 38.024 39.000 -0.029 0.000 0.961 144 F HN 0.187 nan 8.300 nan 0.000 0.495 145 L N 0.081 121.112 121.223 -0.320 0.000 1.990 145 L HA -0.280 4.064 4.340 0.006 0.000 0.213 145 L C 2.876 179.592 176.870 -0.257 0.000 1.072 145 L CA 1.595 56.218 54.840 -0.362 0.000 0.755 145 L CB -1.657 40.332 42.059 -0.117 0.000 0.889 145 L HN 0.354 nan 8.230 nan 0.000 0.432 146 A N 0.722 123.456 122.820 -0.142 0.000 1.863 146 A HA -0.288 4.036 4.320 0.006 0.000 0.218 146 A C 2.445 179.968 177.584 -0.103 0.000 1.233 146 A CA 2.543 54.522 52.037 -0.096 0.000 0.655 146 A CB -1.740 17.237 19.000 -0.039 0.000 0.839 146 A HN 0.479 nan 8.150 nan 0.000 0.454 147 G N -0.022 108.721 108.800 -0.095 0.000 2.574 147 G HA2 -0.331 3.633 3.960 0.006 0.000 0.220 147 G HA3 -0.331 3.633 3.960 0.006 0.000 0.220 147 G C 1.607 176.491 174.900 -0.026 0.000 1.173 147 G CA 1.854 46.926 45.100 -0.046 0.000 0.772 147 G HN 1.176 nan 8.290 nan 0.000 0.585 148 L N -0.740 120.373 121.223 -0.183 0.000 2.027 148 L HA 0.159 4.502 4.340 0.006 0.000 0.206 148 L C 2.569 179.492 176.870 0.089 0.000 1.074 148 L CA 1.678 56.489 54.840 -0.048 0.000 0.745 148 L CB -0.498 41.388 42.059 -0.288 0.000 0.898 148 L HN 0.149 nan 8.230 nan 0.000 0.433 149 L N 0.063 121.254 121.223 -0.053 0.000 2.083 149 L HA -0.182 4.161 4.340 0.006 0.000 0.209 149 L C 2.561 179.381 176.870 -0.084 0.000 1.083 149 L CA 1.855 56.647 54.840 -0.079 0.000 0.752 149 L CB -0.752 41.230 42.059 -0.130 0.000 0.899 149 L HN 0.699 nan 8.230 nan 0.000 0.433 150 C N -0.861 118.404 119.300 -0.058 0.000 3.954 150 C HA -0.189 4.275 4.460 0.006 0.000 0.296 150 C C 2.654 177.691 174.990 0.078 0.000 1.240 150 C CA 0.911 59.889 59.018 -0.067 0.000 1.821 150 C CB -1.380 26.374 27.740 0.023 0.000 2.078 150 C HN 0.712 nan 8.230 nan 0.000 0.434 151 F N 1.985 121.961 119.950 0.043 0.000 2.186 151 F HA -0.331 4.200 4.527 0.006 0.000 0.272 151 F C 1.896 177.820 175.800 0.206 0.000 1.109 151 F CA 2.972 61.043 58.000 0.119 0.000 1.419 151 F CB -1.373 37.686 39.000 0.098 0.000 0.880 151 F HN 0.390 nan 8.300 nan 0.000 0.504 152 G N -1.008 107.551 108.800 -0.402 0.000 2.501 152 G HA2 -0.280 3.684 3.960 0.006 0.000 0.220 152 G HA3 -0.280 3.684 3.960 0.006 0.000 0.220 152 G C 1.431 176.287 174.900 -0.073 0.000 1.114 152 G CA 0.636 45.526 45.100 -0.350 0.000 0.757 152 G HN 0.518 nan 8.290 nan 0.000 0.559 153 F N 2.377 122.195 119.950 -0.220 0.000 2.011 153 F HA -0.081 4.450 4.527 0.006 0.000 0.296 153 F C 2.598 178.375 175.800 -0.039 0.000 1.144 153 F CA 1.830 59.709 58.000 -0.202 0.000 1.185 153 F CB -0.831 37.947 39.000 -0.371 0.000 0.961 153 F HN 0.111 nan 8.300 nan 0.000 0.485 154 G N -0.795 108.025 108.800 0.034 0.000 2.402 154 G HA2 -0.154 3.809 3.960 0.006 0.000 0.216 154 G HA3 -0.154 3.809 3.960 0.006 0.000 0.216 154 G C 1.843 176.739 174.900 -0.007 0.000 1.162 154 G CA 1.150 46.226 45.100 -0.040 0.000 0.777 154 G HN 0.703 nan 8.290 nan 0.000 0.539 155 A N 0.491 123.304 122.820 -0.011 0.000 1.909 155 A HA -0.076 4.248 4.320 0.006 0.000 0.221 155 A C 2.131 179.816 177.584 0.168 0.000 1.223 155 A CA 2.063 54.088 52.037 -0.019 0.000 0.658 155 A CB -0.530 18.304 19.000 -0.276 0.000 0.831 155 A HN 0.517 nan 8.150 nan 0.000 0.462 156 F N -4.912 114.989 119.950 -0.081 0.000 2.463 156 F HA 0.156 4.687 4.527 0.006 0.000 0.271 156 F C 2.274 178.072 175.800 -0.004 0.000 0.888 156 F CA -0.093 57.920 58.000 0.022 0.000 1.149 156 F CB -0.698 38.403 39.000 0.168 0.000 1.071 156 F HN 0.238 nan 8.300 nan 0.000 0.802 157 H N 3.044 122.145 119.070 0.052 0.000 2.937 157 H HA -0.180 4.379 4.556 0.006 0.000 0.298 157 H C 2.168 177.377 175.328 -0.198 0.000 1.025 157 H CA 2.479 58.439 56.048 -0.147 0.000 1.051 157 H CB -0.703 28.891 29.762 -0.280 0.000 1.533 157 H HN 0.130 nan 8.280 nan 0.000 0.809 158 L N 0.148 121.338 121.223 -0.055 0.000 2.211 158 L HA -0.222 4.121 4.340 0.006 0.000 0.216 158 L C 2.494 179.296 176.870 -0.114 0.000 1.092 158 L CA 1.855 56.612 54.840 -0.139 0.000 0.767 158 L CB -0.827 41.068 42.059 -0.275 0.000 0.894 158 L HN 0.399 nan 8.230 nan 0.000 0.437 159 T N -1.489 113.021 114.554 -0.073 0.000 3.009 159 T HA 0.189 4.543 4.350 0.006 0.000 0.258 159 T C 1.555 176.229 174.700 -0.043 0.000 1.063 159 T CA 0.972 63.039 62.100 -0.055 0.000 1.139 159 T CB 0.527 69.376 68.868 -0.032 0.000 0.890 159 T HN 0.603 nan 8.240 nan 0.000 0.471 160 G N 0.904 109.684 108.800 -0.032 0.000 2.232 160 G HA2 -0.234 3.730 3.960 0.006 0.000 0.226 160 G HA3 -0.234 3.730 3.960 0.006 0.000 0.226 160 G C 0.892 175.834 174.900 0.070 0.000 0.996 160 G CA 0.125 45.212 45.100 -0.023 0.000 0.626 160 G HN 0.326 nan 8.290 nan 0.000 0.509 161 L N -0.585 120.691 121.223 0.088 0.000 2.283 161 L HA 0.166 4.509 4.340 0.006 0.000 0.217 161 L C 1.072 178.121 176.870 0.299 0.000 1.104 161 L CA 1.995 56.900 54.840 0.108 0.000 0.772 161 L CB -1.008 41.045 42.059 -0.011 0.000 0.899 161 L HN 0.626 nan 8.230 nan 0.000 0.439 162 F N -1.137 118.900 119.950 0.146 0.000 3.596 162 F HA 0.451 4.982 4.527 0.006 0.000 0.407 162 F C 0.172 176.013 175.800 0.069 0.000 1.168 162 F CA -0.068 58.030 58.000 0.163 0.000 1.405 162 F CB 0.415 39.623 39.000 0.347 0.000 2.272 162 F HN 0.042 nan 8.300 nan 0.000 0.758 163 G N 4.035 112.752 108.800 -0.139 0.000 2.353 163 G HA2 0.113 4.077 3.960 0.006 0.000 0.424 163 G HA3 0.113 4.077 3.960 0.006 0.000 0.424 163 G C -3.481 171.220 174.900 -0.332 0.000 1.320 163 G CA -0.987 43.911 45.100 -0.337 0.000 0.995 163 G HN 0.192 nan 8.290 nan 0.000 0.580 164 P HA 0.335 nan 4.420 nan 0.000 0.282 164 P C 1.300 178.320 177.300 -0.467 0.000 1.262 164 P CA 0.708 63.592 63.100 -0.359 0.000 0.773 164 P CB 1.105 32.640 31.700 -0.275 0.000 0.879 165 G N 4.837 113.486 108.800 -0.252 0.000 2.957 165 G HA2 -0.023 3.941 3.960 0.006 0.000 0.207 165 G HA3 -0.023 3.941 3.960 0.006 0.000 0.207 165 G C 0.479 175.301 174.900 -0.131 0.000 1.389 165 G CA 1.600 46.588 45.100 -0.187 0.000 0.796 165 G HN 0.750 nan 8.290 nan 0.000 0.704 166 M N -4.049 115.528 119.600 -0.039 0.000 3.043 166 M HA 0.284 4.767 4.480 0.006 0.000 0.264 166 M C -1.899 174.469 176.300 0.114 0.000 0.969 166 M CA -0.981 54.359 55.300 0.066 0.000 0.785 166 M CB 1.167 33.803 32.600 0.061 0.000 1.634 166 M HN 0.371 nan 8.290 nan 0.000 0.560 167 W N 3.577 124.862 121.300 -0.026 0.000 2.253 167 W HA 0.622 5.286 4.660 0.006 0.000 0.322 167 W C -2.078 174.423 176.519 -0.030 0.000 1.342 167 W CA 0.041 57.371 57.345 -0.025 0.000 1.218 167 W CB 0.971 30.410 29.460 -0.035 0.000 1.205 167 W HN 0.629 nan 8.180 nan 0.000 0.551 168 V N 5.150 125.066 119.914 0.003 0.000 2.851 168 V HA 0.390 4.513 4.120 0.006 0.000 0.307 168 V C -0.386 175.671 176.094 -0.061 0.000 1.129 168 V CA -0.834 61.502 62.300 0.061 0.000 0.932 168 V CB 1.582 33.411 31.823 0.009 0.000 1.024 168 V HN 0.538 nan 8.190 nan 0.000 0.426 169 S N 1.606 117.364 115.700 0.097 0.000 2.599 169 S HA 0.577 5.050 4.470 0.006 0.000 0.287 169 S C -1.522 173.140 174.600 0.103 0.000 1.105 169 S CA -0.745 57.512 58.200 0.095 0.000 0.899 169 S CB 1.985 65.340 63.200 0.258 0.000 1.100 169 S HN 0.782 nan 8.310 nan 0.000 0.482 170 D N 2.784 123.245 120.400 0.102 0.000 2.225 170 D HA 0.271 4.915 4.640 0.006 0.000 0.248 170 D C -1.607 174.785 176.300 0.154 0.000 1.096 170 D CA -1.185 52.881 54.000 0.110 0.000 0.863 170 D CB 1.410 42.270 40.800 0.101 0.000 1.156 170 D HN 0.288 nan 8.370 nan 0.000 0.450 171 P HA -0.246 nan 4.420 nan 0.000 0.234 171 P C -0.722 176.449 177.300 -0.215 0.000 1.089 171 P CA 1.758 64.843 63.100 -0.025 0.000 0.958 171 P CB -0.119 31.630 31.700 0.082 0.000 0.698 172 Y N -2.748 117.705 120.300 0.255 0.000 2.425 172 Y HA 0.553 5.106 4.550 0.006 0.000 0.344 172 Y C 1.253 177.349 175.900 0.326 0.000 0.969 172 Y CA -1.224 57.098 58.100 0.369 0.000 1.052 172 Y CB 1.432 40.047 38.460 0.258 0.000 1.215 172 Y HN -0.260 nan 8.280 nan 0.000 0.451 173 G N 2.317 111.491 108.800 0.623 0.000 2.178 173 G HA2 0.230 4.193 3.960 0.006 0.000 0.244 173 G HA3 0.230 4.193 3.960 0.006 0.000 0.244 173 G C -0.145 174.854 174.900 0.166 0.000 1.213 173 G CA 0.711 46.130 45.100 0.531 0.000 0.912 173 G HN 0.649 nan 8.290 nan 0.000 0.474 174 L N 0.668 121.995 121.223 0.173 0.000 1.344 174 L HA 0.122 4.465 4.340 0.006 0.000 0.054 174 L C 1.928 178.847 176.870 0.083 0.000 1.599 174 L CA 1.182 56.069 54.840 0.078 0.000 1.066 174 L CB -0.162 41.950 42.059 0.088 0.000 2.082 174 L HN 0.612 nan 8.230 nan 0.000 0.423 175 T N -0.792 113.807 114.554 0.075 0.000 3.243 175 T HA 0.519 4.872 4.350 0.006 0.000 0.264 175 T C 0.771 175.443 174.700 -0.047 0.000 1.000 175 T CA 0.161 62.271 62.100 0.017 0.000 0.901 175 T CB -0.561 68.308 68.868 0.002 0.000 1.083 175 T HN 0.380 nan 8.240 nan 0.000 0.559 176 G N 0.822 109.622 108.800 0.000 0.000 2.562 176 G HA2 0.395 4.359 3.960 0.006 0.000 0.233 176 G HA3 0.395 4.359 3.960 0.006 0.000 0.233 176 G C -0.426 174.039 174.900 -0.726 0.000 1.266 176 G CA -0.212 44.743 45.100 -0.241 0.000 0.852 176 G HN 0.599 nan 8.290 nan 0.000 0.581 177 S N -0.130 114.873 115.700 -1.162 0.000 2.602 177 S HA 0.216 4.689 4.470 0.006 0.000 0.301 177 S C -0.461 173.711 174.600 -0.713 0.000 1.091 177 S CA -0.763 56.880 58.200 -0.928 0.000 0.895 177 S CB 0.975 63.926 63.200 -0.415 0.000 1.090 177 S HN 0.823 nan 8.310 nan 0.000 0.449 178 V N 5.337 124.969 119.914 -0.470 0.000 2.644 178 V HA 0.281 4.405 4.120 0.006 0.000 0.305 178 V C 0.289 176.295 176.094 -0.145 0.000 1.053 178 V CA 0.878 63.092 62.300 -0.144 0.000 1.186 178 V CB 0.702 32.531 31.823 0.010 0.000 0.895 178 V HN 0.784 nan 8.190 nan 0.000 0.490 179 Q N 4.249 123.985 119.800 -0.107 0.000 2.503 179 Q HA 0.304 4.648 4.340 0.006 0.000 0.268 179 Q C -2.841 173.110 176.000 -0.082 0.000 0.982 179 Q CA -1.520 54.225 55.803 -0.097 0.000 0.907 179 Q CB 2.780 31.453 28.738 -0.109 0.000 1.467 179 Q HN 0.370 nan 8.270 nan 0.000 0.394 180 P HA 0.076 nan 4.420 nan 0.000 0.267 180 P C -0.933 176.326 177.300 -0.068 0.000 1.200 180 P CA 0.016 63.067 63.100 -0.082 0.000 0.772 180 P CB 0.566 32.225 31.700 -0.069 0.000 0.855 181 V N 1.806 121.676 119.914 -0.073 0.000 2.638 181 V HA 0.618 4.741 4.120 0.006 0.000 0.306 181 V C -0.065 175.976 176.094 -0.088 0.000 1.052 181 V CA -0.970 61.287 62.300 -0.071 0.000 0.885 181 V CB 1.782 33.564 31.823 -0.068 0.000 0.999 181 V HN 0.590 nan 8.190 nan 0.000 0.424 182 A N 6.049 128.817 122.820 -0.086 0.000 2.301 182 A HA 0.843 5.167 4.320 0.006 0.000 0.298 182 A C -2.486 174.991 177.584 -0.178 0.000 1.185 182 A CA -1.552 50.421 52.037 -0.107 0.000 0.830 182 A CB 0.297 19.257 19.000 -0.066 0.000 1.112 182 A HN 0.672 nan 8.150 nan 0.000 0.508 183 P HA 0.130 nan 4.420 nan 0.000 0.266 183 P C -0.413 176.556 177.300 -0.551 0.000 1.193 183 P CA 0.266 63.034 63.100 -0.554 0.000 0.770 183 P CB 0.497 31.611 31.700 -0.977 0.000 0.836 184 E N 2.443 122.336 120.200 -0.513 0.000 2.502 184 E HA 0.147 4.501 4.350 0.006 0.000 0.261 184 E C -1.097 175.433 176.600 -0.117 0.000 0.974 184 E CA -0.421 55.833 56.400 -0.243 0.000 0.795 184 E CB 0.302 29.958 29.700 -0.073 0.000 1.385 184 E HN 0.354 nan 8.360 nan 0.000 0.400 185 W N 2.981 124.339 121.300 0.095 0.000 3.305 185 W HA 0.475 5.139 4.660 0.006 0.000 0.392 185 W C 0.799 177.431 176.519 0.188 0.000 1.121 185 W CA -0.693 56.744 57.345 0.154 0.000 1.909 185 W CB -0.519 29.026 29.460 0.142 0.000 1.065 185 W HN 0.341 nan 8.180 nan 0.000 0.714 186 G N 1.732 110.755 108.800 0.371 0.000 2.516 186 G HA2 0.224 4.187 3.960 0.006 0.000 0.276 186 G HA3 0.224 4.187 3.960 0.006 0.000 0.276 186 G C -1.438 173.621 174.900 0.265 0.000 1.390 186 G CA -0.733 44.521 45.100 0.256 0.000 1.050 186 G HN -0.145 nan 8.290 nan 0.000 0.519 187 P HA -0.061 nan 4.420 nan 0.000 0.214 187 P C 1.179 178.627 177.300 0.247 0.000 1.163 187 P CA 1.369 64.558 63.100 0.147 0.000 0.883 187 P CB 0.078 31.818 31.700 0.067 0.000 0.788 188 D N -1.048 119.460 120.400 0.179 0.000 2.362 188 D HA -0.115 4.528 4.640 0.006 0.000 0.215 188 D C 1.827 178.238 176.300 0.184 0.000 0.978 188 D CA 1.211 55.308 54.000 0.161 0.000 0.921 188 D CB -0.912 39.953 40.800 0.108 0.000 0.895 188 D HN 0.087 nan 8.370 nan 0.000 0.494 189 G N -1.478 107.473 108.800 0.252 0.000 2.708 189 G HA2 -0.136 3.827 3.960 0.006 0.000 0.210 189 G HA3 -0.136 3.827 3.960 0.006 0.000 0.210 189 G C 0.412 175.318 174.900 0.010 0.000 1.141 189 G CA 0.028 45.212 45.100 0.139 0.000 0.788 189 G HN 0.239 nan 8.290 nan 0.000 0.531 190 F N -0.233 119.747 119.950 0.050 0.000 2.764 190 F HA 0.303 4.834 4.527 0.006 0.000 0.310 190 F C 0.594 176.406 175.800 0.019 0.000 1.124 190 F CA -1.420 56.601 58.000 0.034 0.000 1.252 190 F CB 0.082 39.109 39.000 0.044 0.000 1.010 190 F HN 0.036 nan 8.300 nan 0.000 0.518 191 N N 1.689 120.473 118.700 0.140 0.000 2.414 191 N HA 0.156 4.899 4.740 0.006 0.000 0.256 191 N C -1.942 173.582 175.510 0.023 0.000 1.029 191 N CA -1.676 51.447 53.050 0.121 0.000 0.948 191 N CB 1.444 40.030 38.487 0.164 0.000 1.102 191 N HN -0.159 nan 8.380 nan 0.000 0.496 192 P HA -0.164 nan 4.420 nan 0.000 0.223 192 P C -0.298 176.757 177.300 -0.407 0.000 1.140 192 P CA 1.323 64.242 63.100 -0.302 0.000 0.783 192 P CB 0.031 31.468 31.700 -0.438 0.000 0.759 193 Y N -2.986 117.302 120.300 -0.021 0.000 2.524 193 Y HA 0.132 4.686 4.550 0.006 0.000 0.270 193 Y C 1.276 177.164 175.900 -0.020 0.000 1.094 193 Y CA -0.197 57.888 58.100 -0.025 0.000 1.276 193 Y CB -0.516 37.927 38.460 -0.027 0.000 1.130 193 Y HN -0.131 nan 8.280 nan 0.000 0.536 194 N N 2.917 121.688 118.700 0.119 0.000 2.406 194 N HA 0.021 4.765 4.740 0.006 0.000 0.269 194 N C -2.145 173.366 175.510 0.002 0.000 1.210 194 N CA -1.163 51.922 53.050 0.059 0.000 0.966 194 N CB 0.851 39.370 38.487 0.054 0.000 1.293 194 N HN 0.070 nan 8.380 nan 0.000 0.491 195 P HA -0.155 nan 4.420 nan 0.000 0.218 195 P C 1.197 178.461 177.300 -0.060 0.000 1.154 195 P CA 1.372 64.460 63.100 -0.020 0.000 0.872 195 P CB 0.040 31.737 31.700 -0.005 0.000 0.790 196 G N -0.867 107.888 108.800 -0.074 0.000 2.462 196 G HA2 -0.186 3.778 3.960 0.006 0.000 0.220 196 G HA3 -0.186 3.778 3.960 0.006 0.000 0.220 196 G C 1.523 176.314 174.900 -0.181 0.000 1.121 196 G CA 0.801 45.820 45.100 -0.136 0.000 0.758 196 G HN 0.433 nan 8.290 nan 0.000 0.559 197 G N -0.621 108.096 108.800 -0.139 0.000 3.124 197 G HA2 0.244 4.207 3.960 0.006 0.000 0.212 197 G HA3 0.244 4.207 3.960 0.006 0.000 0.212 197 G C 0.963 175.743 174.900 -0.200 0.000 1.181 197 G CA 0.658 45.640 45.100 -0.196 0.000 0.803 197 G HN 0.318 nan 8.290 nan 0.000 0.529 198 V N -0.742 119.096 119.914 -0.127 0.000 3.473 198 V HA 0.039 4.162 4.120 0.006 0.000 0.253 198 V C 2.249 178.360 176.094 0.029 0.000 1.340 198 V CA 0.369 62.628 62.300 -0.068 0.000 1.103 198 V CB 1.020 32.815 31.823 -0.046 0.000 0.881 198 V HN 0.154 nan 8.190 nan 0.000 0.451 199 V N 0.453 120.339 119.914 -0.047 0.000 3.235 199 V HA 0.161 4.284 4.120 0.006 0.000 0.259 199 V C 2.316 178.325 176.094 -0.142 0.000 1.133 199 V CA 1.465 63.733 62.300 -0.054 0.000 1.128 199 V CB 0.006 31.755 31.823 -0.123 0.000 0.757 199 V HN 0.478 nan 8.190 nan 0.000 0.469 200 A N -0.231 122.431 122.820 -0.262 0.000 2.147 200 A HA -0.019 4.305 4.320 0.006 0.000 0.211 200 A C 1.976 179.524 177.584 -0.061 0.000 1.160 200 A CA 1.118 52.867 52.037 -0.481 0.000 0.781 200 A CB -0.439 18.100 19.000 -0.768 0.000 0.842 200 A HN 0.712 nan 8.150 nan 0.000 0.475 201 H N -0.825 118.182 119.070 -0.105 0.000 2.276 201 H HA -0.057 4.502 4.556 0.006 0.000 0.307 201 H C 1.773 177.148 175.328 0.078 0.000 1.061 201 H CA 2.134 58.140 56.048 -0.070 0.000 1.336 201 H CB -0.720 28.896 29.762 -0.243 0.000 1.396 201 H HN 0.568 nan 8.280 nan 0.000 0.503 202 H N -0.610 118.253 119.070 -0.346 0.000 2.460 202 H HA -0.082 4.477 4.556 0.006 0.000 0.297 202 H C 2.032 177.351 175.328 -0.016 0.000 1.103 202 H CA 1.254 57.180 56.048 -0.203 0.000 1.292 202 H CB 0.096 30.016 29.762 0.263 0.000 1.376 202 H HN 0.381 nan 8.280 nan 0.000 0.531 203 I N -0.247 120.432 120.570 0.182 0.000 2.480 203 I HA -0.117 4.056 4.170 0.006 0.000 0.251 203 I C 2.551 178.885 176.117 0.362 0.000 1.124 203 I CA 0.428 61.919 61.300 0.317 0.000 1.444 203 I CB -0.171 38.024 38.000 0.325 0.000 1.098 203 I HN 0.290 nan 8.210 nan 0.000 0.428 204 A N 1.323 124.306 122.820 0.273 0.000 1.823 204 A HA -0.151 4.173 4.320 0.006 0.000 0.214 204 A C 2.444 180.104 177.584 0.126 0.000 1.227 204 A CA 1.814 53.992 52.037 0.235 0.000 0.616 204 A CB -1.188 17.958 19.000 0.244 0.000 0.874 204 A HN 0.359 nan 8.150 nan 0.000 0.455 205 A N -0.950 121.877 122.820 0.011 0.000 2.186 205 A HA 0.166 4.489 4.320 0.006 0.000 0.219 205 A C 2.115 179.742 177.584 0.071 0.000 1.159 205 A CA 1.831 53.890 52.037 0.036 0.000 0.680 205 A CB -1.124 17.892 19.000 0.027 0.000 0.787 205 A HN 0.815 nan 8.150 nan 0.000 0.467 206 G N -0.210 108.656 108.800 0.110 0.000 2.411 206 G HA2 -0.053 3.911 3.960 0.006 0.000 0.213 206 G HA3 -0.053 3.911 3.960 0.006 0.000 0.213 206 G C 1.494 176.484 174.900 0.150 0.000 1.166 206 G CA 0.780 45.983 45.100 0.173 0.000 0.802 206 G HN 0.428 nan 8.290 nan 0.000 0.533 207 I N 0.493 121.160 120.570 0.162 0.000 2.127 207 I HA -0.184 3.989 4.170 0.006 0.000 0.241 207 I C 2.803 178.944 176.117 0.040 0.000 1.075 207 I CA 0.840 62.155 61.300 0.025 0.000 1.334 207 I CB -0.110 37.929 38.000 0.066 0.000 1.040 207 I HN 0.026 nan 8.210 nan 0.000 0.405 208 V N 0.749 120.707 119.914 0.073 0.000 2.358 208 V HA -0.205 3.919 4.120 0.006 0.000 0.246 208 V C 2.536 178.679 176.094 0.081 0.000 1.047 208 V CA 2.048 64.391 62.300 0.072 0.000 1.035 208 V CB -1.331 30.539 31.823 0.078 0.000 0.658 208 V HN 0.596 nan 8.190 nan 0.000 0.452 209 G N -0.022 108.827 108.800 0.082 0.000 2.462 209 G HA2 -0.214 3.750 3.960 0.006 0.000 0.220 209 G HA3 -0.214 3.750 3.960 0.006 0.000 0.220 209 G C 1.451 176.405 174.900 0.090 0.000 1.121 209 G CA 0.778 45.923 45.100 0.074 0.000 0.758 209 G HN 0.373 nan 8.290 nan 0.000 0.559 210 I N 0.766 121.399 120.570 0.105 0.000 2.141 210 I HA -0.028 4.146 4.170 0.006 0.000 0.236 210 I C 2.821 179.105 176.117 0.278 0.000 1.071 210 I CA 0.597 62.038 61.300 0.235 0.000 1.345 210 I CB -1.120 36.973 38.000 0.154 0.000 1.066 210 I HN 0.147 nan 8.210 nan 0.000 0.406 211 I N 1.180 121.843 120.570 0.155 0.000 2.065 211 I HA -0.417 3.756 4.170 0.006 0.000 0.236 211 I C 2.801 179.015 176.117 0.161 0.000 1.028 211 I CA 2.111 63.486 61.300 0.125 0.000 1.299 211 I CB -0.598 37.453 38.000 0.085 0.000 1.015 211 I HN 0.229 nan 8.210 nan 0.000 0.396 212 A N 0.813 123.720 122.820 0.144 0.000 1.929 212 A HA -0.308 4.016 4.320 0.006 0.000 0.221 212 A C 2.373 180.092 177.584 0.225 0.000 1.211 212 A CA 2.628 54.770 52.037 0.175 0.000 0.657 212 A CB -1.791 17.285 19.000 0.125 0.000 0.827 212 A HN 0.605 nan 8.150 nan 0.000 0.462 213 G N -0.531 108.375 108.800 0.177 0.000 2.459 213 G HA2 -0.204 3.759 3.960 0.006 0.000 0.217 213 G HA3 -0.204 3.759 3.960 0.006 0.000 0.217 213 G C 1.561 176.528 174.900 0.112 0.000 1.183 213 G CA 1.118 46.323 45.100 0.174 0.000 0.776 213 G HN 0.464 nan 8.290 nan 0.000 0.552 214 L N -0.776 120.471 121.223 0.041 0.000 1.970 214 L HA -0.050 4.294 4.340 0.006 0.000 0.212 214 L C 2.575 179.451 176.870 0.010 0.000 1.071 214 L CA 1.620 56.396 54.840 -0.107 0.000 0.751 214 L CB -0.801 41.178 42.059 -0.133 0.000 0.889 214 L HN 0.273 nan 8.230 nan 0.000 0.432 215 F N 0.579 120.507 119.950 -0.036 0.000 2.015 215 F HA -0.362 4.169 4.527 0.006 0.000 0.297 215 F C 2.832 178.596 175.800 -0.059 0.000 1.141 215 F CA 2.010 59.981 58.000 -0.048 0.000 1.192 215 F CB -0.531 38.447 39.000 -0.037 0.000 0.957 215 F HN 0.117 nan 8.300 nan 0.000 0.491 216 H N -0.468 118.868 119.070 0.444 0.000 2.518 216 H HA -0.167 4.393 4.556 0.006 0.000 0.294 216 H C 2.058 177.417 175.328 0.052 0.000 1.083 216 H CA 1.799 58.019 56.048 0.286 0.000 1.264 216 H CB -0.221 29.649 29.762 0.180 0.000 1.370 216 H HN 0.389 nan 8.280 nan 0.000 0.560 217 I N 0.066 120.675 120.570 0.065 0.000 2.703 217 I HA -0.120 4.053 4.170 0.006 0.000 0.259 217 I C 1.994 178.065 176.117 -0.076 0.000 1.151 217 I CA 0.656 61.948 61.300 -0.013 0.000 1.470 217 I CB 0.040 38.005 38.000 -0.059 0.000 1.112 217 I HN 0.038 nan 8.210 nan 0.000 0.437 218 L N -1.240 119.893 121.223 -0.151 0.000 2.115 218 L HA 0.120 4.464 4.340 0.006 0.000 0.200 218 L C 1.229 177.947 176.870 -0.253 0.000 1.094 218 L CA 0.032 54.754 54.840 -0.198 0.000 0.769 218 L CB -1.138 40.782 42.059 -0.232 0.000 0.931 218 L HN -0.252 nan 8.230 nan 0.000 0.455 219 V N 0.835 120.469 119.914 -0.465 0.000 3.702 219 V HA -0.146 3.977 4.120 0.006 0.000 0.300 219 V C 0.424 176.376 176.094 -0.236 0.000 1.142 219 V CA 0.435 62.442 62.300 -0.489 0.000 1.252 219 V CB -0.099 31.094 31.823 -1.049 0.000 1.086 219 V HN 0.499 nan 8.190 nan 0.000 0.496 220 R N 2.360 122.771 120.500 -0.147 0.000 2.670 220 R HA 0.557 4.901 4.340 0.006 0.000 0.289 220 R C -2.780 173.522 176.300 0.004 0.000 0.965 220 R CA -2.037 54.034 56.100 -0.048 0.000 0.899 220 R CB 0.943 31.229 30.300 -0.023 0.000 1.173 220 R HN 0.491 nan 8.270 nan 0.000 0.456 221 P HA 0.072 nan 4.420 nan 0.000 0.263 221 P C -2.100 175.266 177.300 0.111 0.000 1.276 221 P CA -0.909 62.230 63.100 0.065 0.000 0.986 221 P CB 0.055 31.750 31.700 -0.008 0.000 1.105 222 P HA -0.126 nan 4.420 nan 0.000 0.253 222 P C 1.390 178.750 177.300 0.100 0.000 1.170 222 P CA 0.364 63.513 63.100 0.081 0.000 0.806 222 P CB 0.566 32.306 31.700 0.066 0.000 0.775 223 Q N 4.505 124.362 119.800 0.095 0.000 2.096 223 Q HA -0.343 4.000 4.340 0.006 0.000 0.218 223 Q C 1.691 177.733 176.000 0.070 0.000 1.069 223 Q CA 2.129 57.977 55.803 0.076 0.000 0.927 223 Q CB -0.961 27.789 28.738 0.019 0.000 1.064 223 Q HN 0.184 nan 8.270 nan 0.000 0.445 224 R N 0.537 121.064 120.500 0.044 0.000 2.438 224 R HA -0.025 4.319 4.340 0.006 0.000 0.227 224 R C 1.291 177.624 176.300 0.054 0.000 1.153 224 R CA 1.378 57.500 56.100 0.037 0.000 1.059 224 R CB -0.176 30.140 30.300 0.026 0.000 0.831 224 R HN 0.635 nan 8.270 nan 0.000 0.487 225 L N -3.202 118.073 121.223 0.086 0.000 2.600 225 L HA 0.088 4.431 4.340 0.006 0.000 0.213 225 L C 1.754 178.713 176.870 0.149 0.000 1.045 225 L CA 0.105 55.000 54.840 0.093 0.000 0.863 225 L CB -0.476 41.633 42.059 0.083 0.000 1.189 225 L HN 0.157 nan 8.230 nan 0.000 0.484 226 Y N 2.509 122.815 120.300 0.009 0.000 2.373 226 Y HA -0.166 4.388 4.550 0.006 0.000 0.293 226 Y C 2.256 178.153 175.900 -0.004 0.000 1.129 226 Y CA 0.957 59.059 58.100 0.004 0.000 1.226 226 Y CB 0.401 38.865 38.460 0.006 0.000 1.000 226 Y HN 0.192 nan 8.280 nan 0.000 0.549 227 K N -0.981 119.479 120.400 0.100 0.000 2.334 227 K HA 0.285 4.609 4.320 0.006 0.000 0.195 227 K C 1.797 178.410 176.600 0.023 0.000 1.045 227 K CA 0.609 56.889 56.287 -0.011 0.000 1.004 227 K CB 0.113 32.574 32.500 -0.064 0.000 0.837 227 K HN 0.108 nan 8.250 nan 0.000 0.510 228 A N 2.344 125.194 122.820 0.049 0.000 1.835 228 A HA 0.100 4.423 4.320 0.006 0.000 0.213 228 A C 1.112 178.725 177.584 0.048 0.000 1.210 228 A CA 0.322 52.382 52.037 0.039 0.000 0.605 228 A CB -0.375 18.649 19.000 0.040 0.000 0.860 228 A HN 0.335 nan 8.150 nan 0.000 0.447 229 L N 0.441 121.702 121.223 0.063 0.000 2.283 229 L HA 0.382 4.726 4.340 0.006 0.000 0.287 229 L C 0.818 177.738 176.870 0.084 0.000 1.073 229 L CA -0.586 54.287 54.840 0.055 0.000 0.822 229 L CB 0.700 42.782 42.059 0.038 0.000 1.186 229 L HN 0.353 nan 8.230 nan 0.000 0.436 230 R N 4.874 125.410 120.500 0.061 0.000 2.479 230 R HA -0.081 4.263 4.340 0.006 0.000 0.212 230 R C 0.548 176.907 176.300 0.099 0.000 1.367 230 R CA 0.339 56.480 56.100 0.070 0.000 1.290 230 R CB -0.972 29.344 30.300 0.026 0.000 0.876 230 R HN 0.717 nan 8.270 nan 0.000 0.486 231 M N -2.737 116.935 119.600 0.120 0.000 2.243 231 M HA 0.169 4.653 4.480 0.006 0.000 0.309 231 M C 1.177 177.600 176.300 0.205 0.000 1.050 231 M CA 1.313 56.637 55.300 0.039 0.000 1.139 231 M CB 0.345 32.866 32.600 -0.132 0.000 1.457 231 M HN 0.172 nan 8.290 nan 0.000 0.440 232 G N 0.980 109.821 108.800 0.068 0.000 2.232 232 G HA2 -0.268 3.696 3.960 0.006 0.000 0.226 232 G HA3 -0.268 3.696 3.960 0.006 0.000 0.226 232 G C -0.089 174.847 174.900 0.060 0.000 0.996 232 G CA 0.210 45.416 45.100 0.177 0.000 0.626 232 G HN 0.991 nan 8.290 nan 0.000 0.509 233 N N 0.642 119.356 118.700 0.024 0.000 2.511 233 N HA 0.388 5.132 4.740 0.006 0.000 0.249 233 N C 1.412 176.885 175.510 -0.061 0.000 0.971 233 N CA -0.682 52.351 53.050 -0.029 0.000 0.938 233 N CB 0.613 39.076 38.487 -0.040 0.000 1.131 233 N HN 0.087 nan 8.380 nan 0.000 0.505 234 I N 3.771 124.298 120.570 -0.071 0.000 2.576 234 I HA -0.270 3.904 4.170 0.006 0.000 0.263 234 I C 2.026 178.086 176.117 -0.095 0.000 1.183 234 I CA 1.483 62.736 61.300 -0.078 0.000 1.432 234 I CB -0.304 37.648 38.000 -0.081 0.000 1.100 234 I HN 0.694 nan 8.210 nan 0.000 0.452 235 E N -0.301 119.825 120.200 -0.123 0.000 2.051 235 E HA -0.249 4.105 4.350 0.006 0.000 0.192 235 E C 2.312 178.831 176.600 -0.134 0.000 0.991 235 E CA 2.069 58.366 56.400 -0.171 0.000 0.799 235 E CB -0.669 28.905 29.700 -0.210 0.000 0.748 235 E HN 0.466 nan 8.360 nan 0.000 0.449 236 T N -1.009 113.484 114.554 -0.101 0.000 2.803 236 T HA -0.128 4.226 4.350 0.006 0.000 0.269 236 T C 1.781 176.438 174.700 -0.071 0.000 1.052 236 T CA 1.390 63.443 62.100 -0.079 0.000 1.136 236 T CB -0.414 68.418 68.868 -0.061 0.000 0.864 236 T HN 0.132 nan 8.240 nan 0.000 0.467 237 V N 0.842 120.708 119.914 -0.079 0.000 3.217 237 V HA 0.149 4.272 4.120 0.006 0.000 0.264 237 V C 2.002 178.068 176.094 -0.045 0.000 1.135 237 V CA 1.161 63.412 62.300 -0.083 0.000 1.142 237 V CB -0.338 31.432 31.823 -0.088 0.000 0.754 237 V HN 0.518 nan 8.190 nan 0.000 0.484 238 L N -0.135 121.071 121.223 -0.030 0.000 2.418 238 L HA 0.168 4.511 4.340 0.006 0.000 0.218 238 L C 2.213 179.117 176.870 0.057 0.000 1.125 238 L CA 2.000 56.848 54.840 0.014 0.000 0.835 238 L CB -0.194 41.875 42.059 0.016 0.000 0.953 238 L HN 0.351 nan 8.230 nan 0.000 0.454 239 S N -1.791 113.938 115.700 0.049 0.000 2.475 239 S HA 0.063 4.536 4.470 0.006 0.000 0.224 239 S C 1.647 176.369 174.600 0.203 0.000 1.042 239 S CA 0.684 58.965 58.200 0.135 0.000 0.935 239 S CB 0.201 63.404 63.200 0.005 0.000 0.801 239 S HN 0.412 nan 8.310 nan 0.000 0.509 240 S N 1.609 117.344 115.700 0.059 0.000 2.603 240 S HA 0.138 4.612 4.470 0.006 0.000 0.229 240 S C 1.362 175.925 174.600 -0.061 0.000 0.972 240 S CA 0.396 58.592 58.200 -0.007 0.000 0.935 240 S CB -0.044 63.103 63.200 -0.088 0.000 0.769 240 S HN 0.380 nan 8.310 nan 0.000 0.536 241 S N 0.171 115.857 115.700 -0.024 0.000 2.818 241 S HA 0.325 4.798 4.470 0.006 0.000 0.251 241 S C 1.530 176.125 174.600 -0.009 0.000 1.083 241 S CA -0.403 57.776 58.200 -0.034 0.000 0.871 241 S CB -0.057 63.128 63.200 -0.025 0.000 0.831 241 S HN 0.305 nan 8.310 nan 0.000 0.470 242 I N 2.761 123.347 120.570 0.026 0.000 2.145 242 I HA -0.315 3.858 4.170 0.006 0.000 0.244 242 I C 2.696 178.873 176.117 0.099 0.000 1.075 242 I CA 1.552 62.874 61.300 0.038 0.000 1.332 242 I CB -0.368 37.663 38.000 0.052 0.000 1.033 242 I HN 0.335 nan 8.210 nan 0.000 0.410 243 A N 0.339 123.100 122.820 -0.099 0.000 1.978 243 A HA -0.169 4.154 4.320 0.006 0.000 0.220 243 A C 2.444 179.614 177.584 -0.691 0.000 1.170 243 A CA 1.960 53.614 52.037 -0.638 0.000 0.636 243 A CB -0.652 17.790 19.000 -0.929 0.000 0.810 243 A HN 0.494 nan 8.150 nan 0.000 0.448 244 A N -0.720 121.941 122.820 -0.265 0.000 1.975 244 A HA 0.189 4.512 4.320 0.006 0.000 0.215 244 A C 2.142 179.758 177.584 0.054 0.000 1.170 244 A CA 1.297 53.282 52.037 -0.087 0.000 0.656 244 A CB -0.603 18.380 19.000 -0.029 0.000 0.821 244 A HN 0.388 nan 8.150 nan 0.000 0.449 245 V N 0.037 120.006 119.914 0.091 0.000 2.307 245 V HA -0.224 3.900 4.120 0.006 0.000 0.245 245 V C 2.439 178.728 176.094 0.326 0.000 1.045 245 V CA 2.023 64.458 62.300 0.224 0.000 1.024 245 V CB -1.453 30.572 31.823 0.338 0.000 0.651 245 V HN 0.740 nan 8.190 nan 0.000 0.449 246 F N 1.294 121.494 119.950 0.417 0.000 2.234 246 F HA -0.085 4.446 4.527 0.006 0.000 0.299 246 F C 2.071 178.128 175.800 0.428 0.000 1.087 246 F CA 0.873 59.142 58.000 0.448 0.000 1.340 246 F CB -1.292 38.057 39.000 0.581 0.000 1.031 246 F HN 0.164 nan 8.300 nan 0.000 0.500 247 F N 2.322 122.152 119.950 -0.201 0.000 2.026 247 F HA -0.101 4.429 4.527 0.006 0.000 0.296 247 F C 2.395 178.291 175.800 0.160 0.000 1.133 247 F CA 2.115 60.057 58.000 -0.097 0.000 1.188 247 F CB -1.213 37.605 39.000 -0.303 0.000 0.968 247 F HN 0.070 nan 8.300 nan 0.000 0.476 248 A N 0.673 123.290 122.820 -0.339 0.000 1.972 248 A HA -0.001 4.322 4.320 0.006 0.000 0.219 248 A C 2.432 179.958 177.584 -0.097 0.000 1.169 248 A CA 1.945 53.762 52.037 -0.365 0.000 0.635 248 A CB -1.666 17.284 19.000 -0.084 0.000 0.810 248 A HN 0.688 nan 8.150 nan 0.000 0.446 249 A N -0.444 122.415 122.820 0.065 0.000 1.848 249 A HA -0.175 4.148 4.320 0.006 0.000 0.217 249 A C 1.829 179.448 177.584 0.058 0.000 1.220 249 A CA 1.875 53.960 52.037 0.080 0.000 0.645 249 A CB -1.269 17.776 19.000 0.075 0.000 0.842 249 A HN 0.522 nan 8.150 nan 0.000 0.451 250 F N -0.122 119.864 119.950 0.060 0.000 2.127 250 F HA -0.299 4.231 4.527 0.006 0.000 0.299 250 F C 2.316 178.117 175.800 0.003 0.000 1.068 250 F CA 2.166 60.193 58.000 0.045 0.000 1.263 250 F CB -0.488 38.559 39.000 0.078 0.000 1.016 250 F HN 0.084 nan 8.300 nan 0.000 0.491 251 V N -1.848 118.106 119.914 0.066 0.000 2.649 251 V HA -0.161 3.963 4.120 0.006 0.000 0.248 251 V C 2.089 178.212 176.094 0.049 0.000 1.054 251 V CA 1.110 63.409 62.300 -0.001 0.000 1.073 251 V CB -0.829 30.896 31.823 -0.163 0.000 0.699 251 V HN 0.178 nan 8.190 nan 0.000 0.463 252 V N 1.087 121.047 119.914 0.077 0.000 2.343 252 V HA -0.148 3.976 4.120 0.006 0.000 0.247 252 V C 2.499 178.734 176.094 0.235 0.000 1.051 252 V CA 1.897 64.293 62.300 0.161 0.000 1.036 252 V CB -1.134 30.846 31.823 0.262 0.000 0.654 252 V HN 0.543 nan 8.190 nan 0.000 0.451 253 A N -0.008 122.931 122.820 0.197 0.000 2.265 253 A HA 0.352 4.676 4.320 0.006 0.000 0.213 253 A C 1.869 179.586 177.584 0.222 0.000 1.255 253 A CA 1.039 53.190 52.037 0.190 0.000 0.862 253 A CB -0.741 18.299 19.000 0.066 0.000 0.852 253 A HN 0.553 nan 8.150 nan 0.000 0.484 254 G N -1.328 107.626 108.800 0.258 0.000 2.759 254 G HA2 0.044 4.007 3.960 0.006 0.000 0.197 254 G HA3 0.044 4.007 3.960 0.006 0.000 0.197 254 G C 1.479 176.679 174.900 0.499 0.000 1.067 254 G CA 1.028 46.373 45.100 0.409 0.000 0.742 254 G HN 0.509 nan 8.290 nan 0.000 0.651 255 T N 0.218 114.917 114.554 0.242 0.000 2.746 255 T HA -0.083 4.271 4.350 0.006 0.000 0.267 255 T C 2.426 177.229 174.700 0.172 0.000 1.039 255 T CA 1.143 63.336 62.100 0.155 0.000 1.142 255 T CB -0.249 68.639 68.868 0.033 0.000 0.866 255 T HN 0.020 nan 8.240 nan 0.000 0.444 256 M N -0.402 119.301 119.600 0.172 0.000 2.117 256 M HA 0.001 4.485 4.480 0.006 0.000 0.262 256 M C 2.268 178.646 176.300 0.130 0.000 1.065 256 M CA 1.273 56.646 55.300 0.122 0.000 1.114 256 M CB -1.023 31.657 32.600 0.133 0.000 1.361 256 M HN 0.472 nan 8.290 nan 0.000 0.408 257 W N 0.424 121.712 121.300 -0.020 0.000 2.358 257 W HA -0.175 4.488 4.660 0.006 0.000 0.303 257 W C -0.259 176.137 176.519 -0.206 0.000 1.208 257 W CA 1.065 58.275 57.345 -0.225 0.000 1.274 257 W CB 0.062 29.278 29.460 -0.405 0.000 1.138 257 W HN 0.078 nan 8.180 nan 0.000 0.515 258 Y N 0.493 120.962 120.300 0.281 0.000 2.331 258 Y HA 0.491 5.045 4.550 0.006 0.000 0.338 258 Y C 1.036 176.980 175.900 0.074 0.000 0.992 258 Y CA -0.838 57.385 58.100 0.206 0.000 1.121 258 Y CB 0.167 38.712 38.460 0.142 0.000 1.184 258 Y HN -0.126 nan 8.280 nan 0.000 0.469 259 G N 1.289 110.244 108.800 0.259 0.000 2.497 259 G HA2 0.223 4.186 3.960 0.006 0.000 0.228 259 G HA3 0.223 4.186 3.960 0.006 0.000 0.228 259 G C -0.150 174.650 174.900 -0.167 0.000 1.190 259 G CA 0.293 45.564 45.100 0.286 0.000 0.857 259 G HN 0.638 nan 8.290 nan 0.000 0.526 260 S N 0.210 115.757 115.700 -0.254 0.000 2.482 260 S HA 0.440 4.914 4.470 0.006 0.000 0.295 260 S C 0.881 175.347 174.600 -0.224 0.000 1.038 260 S CA 0.541 58.481 58.200 -0.435 0.000 0.968 260 S CB 0.306 63.373 63.200 -0.223 0.000 1.182 260 S HN 1.850 nan 8.310 nan 0.000 0.441 261 A N 3.124 125.823 122.820 -0.203 0.000 2.171 261 A HA -0.166 4.157 4.320 0.006 0.000 0.223 261 A C 2.133 179.679 177.584 -0.063 0.000 1.166 261 A CA 2.764 54.772 52.037 -0.048 0.000 0.668 261 A CB -1.134 17.855 19.000 -0.019 0.000 0.807 261 A HN 1.389 nan 8.150 nan 0.000 0.475 262 T N -3.551 110.945 114.554 -0.098 0.000 3.035 262 T HA 0.045 4.398 4.350 0.006 0.000 0.259 262 T C 1.003 175.595 174.700 -0.180 0.000 1.078 262 T CA 1.230 63.284 62.100 -0.077 0.000 1.132 262 T CB -0.685 68.166 68.868 -0.028 0.000 0.900 262 T HN 0.620 nan 8.240 nan 0.000 0.480 263 T N 1.240 115.673 114.554 -0.202 0.000 3.471 263 T HA 0.538 4.891 4.350 0.006 0.000 0.355 263 T C -2.886 171.588 174.700 -0.377 0.000 1.775 263 T CA -1.923 59.982 62.100 -0.325 0.000 1.305 263 T CB 0.237 69.043 68.868 -0.102 0.000 1.171 263 T HN 0.127 nan 8.240 nan 0.000 0.776 264 P HA 0.179 nan 4.420 nan 0.000 0.269 264 P C 1.165 178.255 177.300 -0.349 0.000 1.217 264 P CA -0.498 62.414 63.100 -0.314 0.000 0.783 264 P CB 0.669 32.131 31.700 -0.397 0.000 0.898 265 I N 0.168 120.645 120.570 -0.155 0.000 2.188 265 I HA -0.145 4.028 4.170 0.006 0.000 0.237 265 I C 1.805 177.795 176.117 -0.210 0.000 1.073 265 I CA 1.209 62.384 61.300 -0.208 0.000 1.359 265 I CB -0.999 36.979 38.000 -0.037 0.000 1.083 265 I HN 0.335 nan 8.210 nan 0.000 0.412 266 E N 0.870 121.139 120.200 0.115 0.000 2.394 266 E HA -0.178 4.175 4.350 0.006 0.000 0.202 266 E C 2.050 178.743 176.600 0.155 0.000 1.029 266 E CA 0.936 57.552 56.400 0.360 0.000 0.855 266 E CB -0.052 29.986 29.700 0.564 0.000 0.770 266 E HN 0.514 nan 8.360 nan 0.000 0.527 267 L N -1.798 119.261 121.223 -0.272 0.000 2.388 267 L HA 0.117 4.460 4.340 0.006 0.000 0.209 267 L C 1.518 178.427 176.870 0.065 0.000 1.061 267 L CA 0.383 54.984 54.840 -0.398 0.000 0.834 267 L CB 0.157 41.599 42.059 -1.029 0.000 1.029 267 L HN 0.180 nan 8.230 nan 0.000 0.473 268 F N -0.982 118.795 119.950 -0.289 0.000 2.619 268 F HA 0.412 4.943 4.527 0.006 0.000 0.281 268 F C 1.116 176.644 175.800 -0.454 0.000 1.065 268 F CA 0.101 57.936 58.000 -0.275 0.000 1.304 268 F CB 1.252 40.050 39.000 -0.336 0.000 1.059 268 F HN 0.094 nan 8.300 nan 0.000 0.648 269 G N 0.099 108.471 108.800 -0.714 0.000 2.359 269 G HA2 0.205 4.169 3.960 0.006 0.000 0.293 269 G HA3 0.205 4.169 3.960 0.006 0.000 0.293 269 G C -3.357 170.962 174.900 -0.969 0.000 1.300 269 G CA -1.027 43.285 45.100 -1.313 0.000 0.888 269 G HN -0.335 nan 8.290 nan 0.000 0.541 270 P HA 0.403 nan 4.420 nan 0.000 0.282 270 P C 0.166 177.153 177.300 -0.520 0.000 1.249 270 P CA -0.143 62.596 63.100 -0.602 0.000 0.806 270 P CB 1.401 32.811 31.700 -0.482 0.000 0.984 271 T N 1.855 116.142 114.554 -0.444 0.000 2.888 271 T HA 0.018 4.372 4.350 0.006 0.000 0.301 271 T C 1.478 175.806 174.700 -0.619 0.000 1.001 271 T CA -0.241 61.559 62.100 -0.501 0.000 1.147 271 T CB 0.096 68.760 68.868 -0.339 0.000 0.931 271 T HN 0.310 nan 8.240 nan 0.000 0.541 272 R N 3.228 123.140 120.500 -0.980 0.000 2.103 272 R HA -0.163 4.181 4.340 0.006 0.000 0.242 272 R C 0.882 176.742 176.300 -0.733 0.000 1.142 272 R CA 1.939 57.445 56.100 -0.990 0.000 0.960 272 R CB -0.949 28.435 30.300 -1.526 0.000 0.858 272 R HN 0.889 nan 8.270 nan 0.000 0.439 273 Y N 0.763 120.850 120.300 -0.356 0.000 2.665 273 Y HA -0.000 4.553 4.550 0.006 0.000 0.320 273 Y C 2.059 177.805 175.900 -0.258 0.000 1.204 273 Y CA 0.522 58.477 58.100 -0.243 0.000 1.315 273 Y CB -0.476 37.853 38.460 -0.219 0.000 1.033 273 Y HN 0.264 nan 8.280 nan 0.000 0.509 274 Q N -1.383 118.277 119.800 -0.234 0.000 2.352 274 Q HA -0.010 4.334 4.340 0.006 0.000 0.212 274 Q C 1.721 177.669 176.000 -0.087 0.000 0.888 274 Q CA 0.103 55.728 55.803 -0.296 0.000 0.934 274 Q CB 0.035 28.482 28.738 -0.486 0.000 1.093 274 Q HN 0.722 nan 8.270 nan 0.000 0.523 275 W N 0.122 121.309 121.300 -0.189 0.000 3.058 275 W HA 0.111 4.775 4.660 0.006 0.000 0.306 275 W C -0.076 176.404 176.519 -0.064 0.000 1.188 275 W CA 0.262 57.555 57.345 -0.088 0.000 1.651 275 W CB 0.730 30.114 29.460 -0.126 0.000 1.051 275 W HN 0.097 nan 8.180 nan 0.000 0.592 276 D N -0.104 120.229 120.400 -0.113 0.000 2.277 276 D HA -0.082 4.562 4.640 0.006 0.000 0.209 276 D C 1.814 178.048 176.300 -0.109 0.000 0.970 276 D CA 0.679 54.611 54.000 -0.114 0.000 0.874 276 D CB -0.050 40.791 40.800 0.068 0.000 0.982 276 D HN -0.046 nan 8.370 nan 0.000 0.504 277 S N -0.174 115.483 115.700 -0.070 0.000 2.522 277 S HA -0.032 4.441 4.470 0.006 0.000 0.227 277 S C 1.133 175.713 174.600 -0.033 0.000 0.986 277 S CA 0.273 58.453 58.200 -0.033 0.000 0.929 277 S CB 0.040 63.229 63.200 -0.019 0.000 0.769 277 S HN 0.070 nan 8.310 nan 0.000 0.529 278 S N -1.158 114.474 115.700 -0.113 0.000 2.981 278 S HA -0.265 4.208 4.470 0.006 0.000 0.274 278 S C 0.614 175.234 174.600 0.033 0.000 1.297 278 S CA 1.097 59.219 58.200 -0.129 0.000 1.266 278 S CB -1.773 61.346 63.200 -0.136 0.000 1.542 278 S HN 0.702 nan 8.310 nan 0.000 0.674 279 Y N 1.418 121.651 120.300 -0.113 0.000 1.473 279 Y HA -0.442 4.111 4.550 0.006 0.000 0.126 279 Y C 1.671 177.623 175.900 0.087 0.000 0.779 279 Y CA 2.430 60.471 58.100 -0.098 0.000 0.616 279 Y CB -1.368 36.894 38.460 -0.329 0.000 0.626 279 Y HN 0.353 nan 8.280 nan 0.000 0.706 280 F N 0.055 120.126 119.950 0.202 0.000 2.071 280 F HA -0.484 4.046 4.527 0.006 0.000 0.291 280 F C 2.812 178.655 175.800 0.072 0.000 1.070 280 F CA 1.804 59.902 58.000 0.164 0.000 1.262 280 F CB -0.816 38.373 39.000 0.316 0.000 0.983 280 F HN 0.409 nan 8.300 nan 0.000 0.493 281 Q N 0.432 120.405 119.800 0.287 0.000 1.975 281 Q HA -0.293 4.050 4.340 0.006 0.000 0.205 281 Q C 2.155 178.206 176.000 0.085 0.000 0.990 281 Q CA 1.965 57.884 55.803 0.194 0.000 0.845 281 Q CB -0.329 28.500 28.738 0.151 0.000 0.913 281 Q HN 0.496 nan 8.270 nan 0.000 0.420 282 Q N -0.358 119.459 119.800 0.028 0.000 2.389 282 Q HA -0.255 4.089 4.340 0.006 0.000 0.213 282 Q C 1.570 177.536 176.000 -0.056 0.000 0.989 282 Q CA 1.564 57.358 55.803 -0.015 0.000 0.891 282 Q CB 0.045 28.773 28.738 -0.016 0.000 0.923 282 Q HN 0.325 nan 8.270 nan 0.000 0.455 283 E N 0.579 120.725 120.200 -0.089 0.000 2.048 283 E HA -0.083 4.271 4.350 0.006 0.000 0.193 283 E C 1.768 178.264 176.600 -0.173 0.000 0.956 283 E CA 0.778 57.053 56.400 -0.208 0.000 0.846 283 E CB -0.274 29.152 29.700 -0.456 0.000 0.827 283 E HN 0.315 nan 8.360 nan 0.000 0.466 284 I N 0.138 120.646 120.570 -0.104 0.000 2.161 284 I HA -0.395 3.778 4.170 0.006 0.000 0.246 284 I C 2.220 178.270 176.117 -0.112 0.000 1.048 284 I CA 2.202 63.466 61.300 -0.060 0.000 1.314 284 I CB -0.774 37.292 38.000 0.110 0.000 1.014 284 I HN 0.139 nan 8.210 nan 0.000 0.418 285 N N 2.012 120.683 118.700 -0.049 0.000 2.084 285 N HA -0.239 4.505 4.740 0.006 0.000 0.190 285 N C 2.077 177.478 175.510 -0.182 0.000 1.030 285 N CA 2.360 55.344 53.050 -0.110 0.000 0.849 285 N CB -0.293 38.205 38.487 0.020 0.000 1.012 285 N HN 0.612 nan 8.380 nan 0.000 0.423 286 R N 0.950 121.367 120.500 -0.138 0.000 2.152 286 R HA 0.027 4.371 4.340 0.006 0.000 0.232 286 R C 1.997 178.193 176.300 -0.172 0.000 1.117 286 R CA 1.207 57.225 56.100 -0.136 0.000 0.981 286 R CB -0.397 29.837 30.300 -0.110 0.000 0.870 286 R HN 0.145 nan 8.270 nan 0.000 0.451 287 R N -0.013 120.361 120.500 -0.209 0.000 2.119 287 R HA 0.049 4.393 4.340 0.006 0.000 0.222 287 R C 1.995 178.128 176.300 -0.278 0.000 1.088 287 R CA 1.118 57.089 56.100 -0.216 0.000 0.984 287 R CB -0.189 29.986 30.300 -0.209 0.000 0.884 287 R HN 0.156 nan 8.270 nan 0.000 0.447 288 V N 0.584 120.245 119.914 -0.421 0.000 2.871 288 V HA -0.153 3.971 4.120 0.006 0.000 0.256 288 V C 1.862 177.718 176.094 -0.398 0.000 1.082 288 V CA 1.422 63.353 62.300 -0.616 0.000 1.105 288 V CB 0.110 31.157 31.823 -1.294 0.000 0.713 288 V HN 0.184 nan 8.190 nan 0.000 0.473 289 Q N -0.158 119.475 119.800 -0.279 0.000 2.212 289 Q HA 0.136 4.480 4.340 0.006 0.000 0.199 289 Q C 2.097 178.018 176.000 -0.132 0.000 0.950 289 Q CA 1.614 57.311 55.803 -0.176 0.000 0.863 289 Q CB -0.280 28.381 28.738 -0.128 0.000 0.944 289 Q HN 0.626 nan 8.270 nan 0.000 0.465 290 A N -1.038 121.703 122.820 -0.131 0.000 1.975 290 A HA -0.008 4.315 4.320 0.006 0.000 0.215 290 A C 2.154 179.682 177.584 -0.094 0.000 1.170 290 A CA 1.291 53.270 52.037 -0.097 0.000 0.656 290 A CB -0.221 18.725 19.000 -0.089 0.000 0.821 290 A HN 0.309 nan 8.150 nan 0.000 0.449 291 S N -0.196 115.431 115.700 -0.121 0.000 2.371 291 S HA -0.020 4.454 4.470 0.006 0.000 0.224 291 S C 1.867 176.410 174.600 -0.095 0.000 1.029 291 S CA 1.065 59.202 58.200 -0.105 0.000 0.978 291 S CB -0.378 62.745 63.200 -0.130 0.000 0.833 291 S HN 0.519 nan 8.310 nan 0.000 0.466 292 L N 1.272 122.420 121.223 -0.125 0.000 2.027 292 L HA -0.058 4.286 4.340 0.006 0.000 0.206 292 L C 2.528 179.359 176.870 -0.065 0.000 1.074 292 L CA 1.278 56.059 54.840 -0.098 0.000 0.745 292 L CB -0.567 41.413 42.059 -0.131 0.000 0.898 292 L HN 0.367 nan 8.230 nan 0.000 0.433 293 A N -1.131 121.649 122.820 -0.068 0.000 2.070 293 A HA -0.061 4.263 4.320 0.006 0.000 0.220 293 A C 1.560 179.121 177.584 -0.037 0.000 1.159 293 A CA 1.187 53.196 52.037 -0.048 0.000 0.656 293 A CB -0.295 18.676 19.000 -0.049 0.000 0.800 293 A HN 0.482 nan 8.150 nan 0.000 0.453 294 S N -1.586 114.089 115.700 -0.041 0.000 2.590 294 S HA 0.487 4.961 4.470 0.006 0.000 0.282 294 S C 0.901 175.486 174.600 -0.026 0.000 1.136 294 S CA -0.094 58.087 58.200 -0.031 0.000 1.030 294 S CB 0.466 63.646 63.200 -0.034 0.000 1.195 294 S HN 0.522 nan 8.310 nan 0.000 0.506 295 G N 0.525 109.313 108.800 -0.019 0.000 2.852 295 G HA2 0.486 4.450 3.960 0.006 0.000 0.280 295 G HA3 0.486 4.450 3.960 0.006 0.000 0.280 295 G C -0.350 174.543 174.900 -0.011 0.000 0.731 295 G CA 0.245 45.337 45.100 -0.013 0.000 2.037 295 G HN 0.786 nan 8.290 nan 0.000 0.560 296 A N 1.334 124.147 122.820 -0.012 0.000 2.604 296 A HA 0.789 5.113 4.320 0.006 0.000 0.295 296 A C -0.365 177.221 177.584 0.003 0.000 1.067 296 A CA -0.519 51.514 52.037 -0.006 0.000 0.683 296 A CB 1.452 20.441 19.000 -0.019 0.000 1.281 296 A HN 0.543 nan 8.150 nan 0.000 0.407 297 T N 0.638 115.208 114.554 0.027 0.000 2.907 297 T HA 0.402 4.755 4.350 0.006 0.000 0.284 297 T C 1.255 176.010 174.700 0.091 0.000 1.004 297 T CA -0.269 61.865 62.100 0.056 0.000 1.063 297 T CB 0.499 69.413 68.868 0.076 0.000 0.992 297 T HN 1.299 nan 8.240 nan 0.000 0.483 298 L N 3.576 124.865 121.223 0.109 0.000 2.151 298 L HA -0.074 4.270 4.340 0.006 0.000 0.215 298 L C 2.133 179.240 176.870 0.395 0.000 1.084 298 L CA 2.227 57.160 54.840 0.155 0.000 0.764 298 L CB -0.816 41.277 42.059 0.056 0.000 0.891 298 L HN 0.916 nan 8.230 nan 0.000 0.435 299 E N -1.175 119.269 120.200 0.407 0.000 2.170 299 E HA -0.145 4.209 4.350 0.006 0.000 0.191 299 E C 1.911 178.670 176.600 0.264 0.000 0.981 299 E CA 0.667 57.314 56.400 0.412 0.000 0.830 299 E CB 0.046 29.882 29.700 0.227 0.000 0.775 299 E HN 0.648 nan 8.360 nan 0.000 0.470 300 E N -0.115 120.190 120.200 0.176 0.000 2.230 300 E HA -0.042 4.312 4.350 0.006 0.000 0.192 300 E C 1.863 178.520 176.600 0.096 0.000 0.987 300 E CA 0.468 56.937 56.400 0.114 0.000 0.841 300 E CB 0.135 29.874 29.700 0.064 0.000 0.783 300 E HN 0.271 nan 8.360 nan 0.000 0.481 301 A N 0.996 123.853 122.820 0.062 0.000 1.841 301 A HA -0.195 4.128 4.320 0.006 0.000 0.216 301 A C 1.675 179.183 177.584 -0.127 0.000 1.199 301 A CA 1.401 53.371 52.037 -0.111 0.000 0.621 301 A CB -1.171 17.657 19.000 -0.287 0.000 0.835 301 A HN 0.352 nan 8.150 nan 0.000 0.445 302 W N 0.671 122.044 121.300 0.122 0.000 2.425 302 W HA -0.044 4.620 4.660 0.006 0.000 0.277 302 W C 2.567 179.246 176.519 0.267 0.000 1.231 302 W CA 1.114 58.583 57.345 0.207 0.000 1.248 302 W CB -0.584 29.052 29.460 0.294 0.000 1.117 302 W HN 0.262 nan 8.180 nan 0.000 0.568 303 S N 0.473 116.404 115.700 0.385 0.000 2.419 303 S HA -0.212 4.261 4.470 0.006 0.000 0.235 303 S C 2.026 176.752 174.600 0.210 0.000 1.019 303 S CA 1.304 59.680 58.200 0.293 0.000 0.982 303 S CB -0.706 62.606 63.200 0.186 0.000 0.789 303 S HN 0.327 nan 8.310 nan 0.000 0.490 304 A N 1.787 124.686 122.820 0.132 0.000 1.855 304 A HA 0.109 4.433 4.320 0.006 0.000 0.215 304 A C 0.998 178.609 177.584 0.045 0.000 1.191 304 A CA 0.526 52.594 52.037 0.052 0.000 0.613 304 A CB -0.681 18.308 19.000 -0.018 0.000 0.829 304 A HN 0.462 nan 8.150 nan 0.000 0.442 305 I N 2.716 123.315 120.570 0.049 0.000 2.978 305 I HA -0.009 4.165 4.170 0.006 0.000 0.293 305 I C -2.007 174.085 176.117 -0.042 0.000 1.218 305 I CA -0.833 60.459 61.300 -0.013 0.000 1.393 305 I CB 0.172 38.189 38.000 0.029 0.000 1.394 305 I HN 0.267 nan 8.210 nan 0.000 0.541 306 P HA 0.142 nan 4.420 nan 0.000 0.282 306 P C 0.420 177.623 177.300 -0.161 0.000 1.249 306 P CA -0.421 62.635 63.100 -0.073 0.000 0.806 306 P CB 1.140 32.812 31.700 -0.046 0.000 0.984 307 E N 1.870 122.024 120.200 -0.076 0.000 2.160 307 E HA -0.327 4.027 4.350 0.006 0.000 0.237 307 E C 1.653 178.215 176.600 -0.064 0.000 1.069 307 E CA 2.061 58.440 56.400 -0.035 0.000 0.950 307 E CB -0.868 28.864 29.700 0.052 0.000 0.832 307 E HN 0.453 nan 8.360 nan 0.000 0.496 308 K N 0.919 121.274 120.400 -0.075 0.000 2.081 308 K HA -0.209 4.114 4.320 0.006 0.000 0.222 308 K C 2.256 178.659 176.600 -0.328 0.000 1.055 308 K CA 1.966 58.165 56.287 -0.147 0.000 0.954 308 K CB -0.920 31.471 32.500 -0.182 0.000 0.732 308 K HN 0.235 nan 8.250 nan 0.000 0.458 309 L N -0.886 120.139 121.223 -0.331 0.000 2.046 309 L HA -0.154 4.190 4.340 0.006 0.000 0.208 309 L C 2.217 178.930 176.870 -0.262 0.000 1.077 309 L CA 1.509 56.131 54.840 -0.362 0.000 0.747 309 L CB -0.432 41.487 42.059 -0.234 0.000 0.896 309 L HN 0.424 nan 8.230 nan 0.000 0.432 310 A N -0.559 122.108 122.820 -0.256 0.000 1.873 310 A HA -0.279 4.044 4.320 0.006 0.000 0.215 310 A C 2.092 179.840 177.584 0.273 0.000 1.186 310 A CA 1.436 53.330 52.037 -0.238 0.000 0.616 310 A CB -0.955 17.317 19.000 -1.213 0.000 0.823 310 A HN 0.471 nan 8.150 nan 0.000 0.442 311 F N -0.145 119.890 119.950 0.141 0.000 2.120 311 F HA -0.242 4.288 4.527 0.006 0.000 0.300 311 F C 2.126 177.992 175.800 0.109 0.000 1.095 311 F CA 1.349 59.260 58.000 -0.149 0.000 1.249 311 F CB -0.856 38.000 39.000 -0.240 0.000 0.995 311 F HN 0.429 nan 8.300 nan 0.000 0.480 312 Y N -0.604 119.544 120.300 -0.253 0.000 2.224 312 Y HA -0.268 4.285 4.550 0.006 0.000 0.289 312 Y C 2.017 177.788 175.900 -0.214 0.000 1.146 312 Y CA 0.811 58.578 58.100 -0.554 0.000 1.182 312 Y CB -0.392 37.148 38.460 -1.532 0.000 0.983 312 Y HN -0.001 nan 8.280 nan 0.000 0.524 313 D N -0.520 119.980 120.400 0.167 0.000 2.358 313 D HA -0.125 4.519 4.640 0.006 0.000 0.241 313 D C -0.388 176.300 176.300 0.647 0.000 1.094 313 D CA 0.079 54.441 54.000 0.603 0.000 0.907 313 D CB -0.433 40.694 40.800 0.545 0.000 0.893 313 D HN 0.163 nan 8.370 nan 0.000 0.528 314 Y N 0.135 120.602 120.300 0.279 0.000 2.310 314 Y HA 0.234 4.787 4.550 0.006 0.000 0.326 314 Y C 0.973 176.794 175.900 -0.132 0.000 1.151 314 Y CA -0.845 57.366 58.100 0.184 0.000 1.195 314 Y CB 0.762 39.306 38.460 0.140 0.000 1.210 314 Y HN -0.077 nan 8.280 nan 0.000 0.483 315 I N 3.696 123.687 120.570 -0.966 0.000 2.252 315 I HA -0.070 4.103 4.170 0.006 0.000 0.245 315 I C 2.065 177.585 176.117 -0.995 0.000 1.102 315 I CA 1.903 62.383 61.300 -1.367 0.000 1.385 315 I CB -0.454 36.678 38.000 -1.445 0.000 1.064 315 I HN 0.989 nan 8.210 nan 0.000 0.414 316 G N 0.575 108.608 108.800 -1.278 0.000 2.537 316 G HA2 -0.252 3.711 3.960 0.006 0.000 0.220 316 G HA3 -0.252 3.711 3.960 0.006 0.000 0.220 316 G C 1.118 175.925 174.900 -0.154 0.000 1.111 316 G CA 0.693 45.498 45.100 -0.490 0.000 0.748 316 G HN 0.435 nan 8.290 nan 0.000 0.564 317 N N -0.009 118.545 118.700 -0.243 0.000 2.238 317 N HA 0.020 4.763 4.740 0.006 0.000 0.222 317 N C -0.283 175.053 175.510 -0.290 0.000 1.133 317 N CA -0.129 52.858 53.050 -0.104 0.000 0.854 317 N CB 0.245 38.675 38.487 -0.094 0.000 1.041 317 N HN 0.480 nan 8.380 nan 0.000 0.510 318 N N 1.586 120.046 118.700 -0.399 0.000 2.546 318 N HA 0.204 4.948 4.740 0.006 0.000 0.238 318 N C -2.098 173.135 175.510 -0.461 0.000 0.984 318 N CA -1.758 51.017 53.050 -0.458 0.000 0.935 318 N CB 1.603 39.755 38.487 -0.559 0.000 1.122 318 N HN -0.227 nan 8.380 nan 0.000 0.510 319 P HA -0.188 nan 4.420 nan 0.000 0.221 319 P C 0.862 177.913 177.300 -0.414 0.000 1.141 319 P CA 0.885 63.738 63.100 -0.412 0.000 0.794 319 P CB 0.208 31.627 31.700 -0.468 0.000 0.764 320 A N -0.141 122.399 122.820 -0.468 0.000 1.972 320 A HA -0.194 4.130 4.320 0.006 0.000 0.219 320 A C 1.944 179.303 177.584 -0.374 0.000 1.169 320 A CA 1.487 53.306 52.037 -0.362 0.000 0.635 320 A CB -0.716 18.078 19.000 -0.344 0.000 0.810 320 A HN 0.075 nan 8.150 nan 0.000 0.446 321 K N 0.351 120.450 120.400 -0.502 0.000 2.487 321 K HA 0.067 4.391 4.320 0.006 0.000 0.192 321 K C 1.403 177.671 176.600 -0.554 0.000 1.027 321 K CA 0.544 56.437 56.287 -0.657 0.000 1.054 321 K CB -0.838 30.974 32.500 -1.146 0.000 0.824 321 K HN 0.429 nan 8.250 nan 0.000 0.510 322 G N 0.779 109.351 108.800 -0.380 0.000 2.313 322 G HA2 0.240 4.203 3.960 0.006 0.000 0.283 322 G HA3 0.240 4.203 3.960 0.006 0.000 0.283 322 G C 0.072 174.855 174.900 -0.195 0.000 1.476 322 G CA 0.285 45.242 45.100 -0.238 0.000 1.054 322 G HN 0.360 nan 8.290 nan 0.000 0.550 323 G N -3.082 105.599 108.800 -0.198 0.000 2.556 323 G HA2 0.445 4.409 3.960 0.006 0.000 0.294 323 G HA3 0.445 4.409 3.960 0.006 0.000 0.294 323 G C 0.142 174.905 174.900 -0.229 0.000 1.516 323 G CA 0.015 44.999 45.100 -0.192 0.000 0.824 323 G HN 0.946 nan 8.290 nan 0.000 0.535 324 L N 0.541 121.538 121.223 -0.377 0.000 2.187 324 L HA 0.300 4.643 4.340 0.006 0.000 0.213 324 L C 1.223 177.954 176.870 -0.232 0.000 1.100 324 L CA 1.782 56.320 54.840 -0.504 0.000 0.765 324 L CB -0.400 41.155 42.059 -0.840 0.000 0.904 324 L HN 0.524 nan 8.230 nan 0.000 0.437 325 F N -1.147 118.828 119.950 0.041 0.000 2.855 325 F HA 0.323 4.854 4.527 0.006 0.000 0.317 325 F C 0.578 176.431 175.800 0.088 0.000 1.169 325 F CA -0.870 57.172 58.000 0.069 0.000 1.299 325 F CB 0.254 39.277 39.000 0.038 0.000 0.962 325 F HN -0.227 nan 8.300 nan 0.000 0.506 326 R N 1.178 121.857 120.500 0.299 0.000 3.235 326 R HA 0.057 4.401 4.340 0.006 0.000 0.232 326 R C 0.954 177.414 176.300 0.267 0.000 1.475 326 R CA -0.119 56.128 56.100 0.246 0.000 1.405 326 R CB -0.303 30.132 30.300 0.224 0.000 1.266 326 R HN 0.061 nan 8.270 nan 0.000 0.650 327 T N -0.718 113.951 114.554 0.192 0.000 4.653 327 T HA 0.286 4.640 4.350 0.006 0.000 0.236 327 T C 0.663 175.402 174.700 0.064 0.000 0.740 327 T CA 0.460 62.623 62.100 0.104 0.000 1.250 327 T CB -0.475 68.425 68.868 0.054 0.000 1.403 327 T HN 0.533 nan 8.240 nan 0.000 0.813 328 G N 1.928 110.777 108.800 0.082 0.000 2.343 328 G HA2 0.383 4.347 3.960 0.006 0.000 0.289 328 G HA3 0.383 4.347 3.960 0.006 0.000 0.289 328 G C -3.250 171.731 174.900 0.134 0.000 1.295 328 G CA -0.929 44.213 45.100 0.070 0.000 0.869 328 G HN 0.261 nan 8.290 nan 0.000 0.522 329 P HA 0.145 nan 4.420 nan 0.000 0.267 329 P C 1.428 178.842 177.300 0.191 0.000 1.205 329 P CA 0.070 63.267 63.100 0.161 0.000 0.765 329 P CB 0.686 32.456 31.700 0.117 0.000 0.828 330 M N 1.861 121.606 119.600 0.240 0.000 2.201 330 M HA -0.297 4.186 4.480 0.006 0.000 0.251 330 M C 1.534 177.980 176.300 0.244 0.000 1.090 330 M CA 1.905 57.361 55.300 0.260 0.000 1.063 330 M CB -0.919 31.860 32.600 0.299 0.000 1.360 330 M HN 0.384 nan 8.290 nan 0.000 0.401 331 N N 0.558 119.376 118.700 0.197 0.000 2.205 331 N HA -0.164 4.580 4.740 0.006 0.000 0.186 331 N C 1.563 177.169 175.510 0.160 0.000 1.015 331 N CA 1.275 54.430 53.050 0.175 0.000 0.862 331 N CB -0.319 38.226 38.487 0.098 0.000 0.986 331 N HN 0.316 nan 8.380 nan 0.000 0.429 332 K N 0.858 121.339 120.400 0.136 0.000 2.148 332 K HA -0.003 4.320 4.320 0.006 0.000 0.204 332 K C 1.768 178.435 176.600 0.112 0.000 1.050 332 K CA 1.234 57.586 56.287 0.109 0.000 0.942 332 K CB -0.737 31.823 32.500 0.099 0.000 0.724 332 K HN 0.127 nan 8.250 nan 0.000 0.446 333 G N 0.928 109.817 108.800 0.148 0.000 2.637 333 G HA2 -0.255 3.709 3.960 0.006 0.000 0.215 333 G HA3 -0.255 3.709 3.960 0.006 0.000 0.215 333 G C 0.910 175.846 174.900 0.060 0.000 1.289 333 G CA 1.070 46.245 45.100 0.126 0.000 0.816 333 G HN 0.584 nan 8.290 nan 0.000 0.580 334 D N -0.310 120.158 120.400 0.114 0.000 2.339 334 D HA 0.372 5.016 4.640 0.006 0.000 0.217 334 D C 1.169 177.500 176.300 0.051 0.000 1.050 334 D CA 0.601 54.562 54.000 -0.065 0.000 0.856 334 D CB -0.030 40.700 40.800 -0.118 0.000 0.922 334 D HN 0.861 nan 8.370 nan 0.000 0.518 335 G N -0.034 108.945 108.800 0.297 0.000 2.619 335 G HA2 -0.141 3.823 3.960 0.006 0.000 0.686 335 G HA3 -0.141 3.823 3.960 0.006 0.000 0.686 335 G C -0.861 174.294 174.900 0.425 0.000 1.256 335 G CA -0.713 44.604 45.100 0.362 0.000 0.826 335 G HN 0.221 nan 8.290 nan 0.000 0.619 336 I N 2.032 122.706 120.570 0.173 0.000 2.471 336 I HA 0.343 4.516 4.170 0.006 0.000 0.294 336 I C 1.553 177.565 176.117 -0.175 0.000 1.123 336 I CA 0.288 61.593 61.300 0.009 0.000 1.336 336 I CB 0.418 38.398 38.000 -0.034 0.000 1.430 336 I HN 0.973 nan 8.210 nan 0.000 0.533 337 A N 7.580 130.151 122.820 -0.414 0.000 2.563 337 A HA -0.051 4.272 4.320 0.006 0.000 0.256 337 A C 1.070 178.349 177.584 -0.508 0.000 1.056 337 A CA 0.260 51.800 52.037 -0.827 0.000 0.775 337 A CB 0.148 18.587 19.000 -0.934 0.000 0.973 337 A HN 0.769 nan 8.150 nan 0.000 0.516 338 Q N 1.154 120.731 119.800 -0.371 0.000 2.263 338 Q HA 0.376 4.720 4.340 0.006 0.000 0.196 338 Q C 0.656 176.568 176.000 -0.146 0.000 0.965 338 Q CA 1.599 57.280 55.803 -0.203 0.000 0.851 338 Q CB 0.117 28.791 28.738 -0.108 0.000 0.948 338 Q HN 1.088 nan 8.270 nan 0.000 0.516 339 A N -0.650 122.137 122.820 -0.055 0.000 2.612 339 A HA 0.405 4.729 4.320 0.006 0.000 0.293 339 A C -2.118 175.591 177.584 0.209 0.000 1.075 339 A CA -0.702 51.371 52.037 0.059 0.000 0.680 339 A CB 0.374 19.389 19.000 0.024 0.000 1.279 339 A HN 0.215 nan 8.150 nan 0.000 0.411 340 W N 2.048 123.334 121.300 -0.022 0.000 2.266 340 W HA 0.469 5.132 4.660 0.006 0.000 0.317 340 W C 0.616 176.963 176.519 -0.286 0.000 1.310 340 W CA -0.232 56.837 57.345 -0.459 0.000 1.207 340 W CB 1.023 30.267 29.460 -0.360 0.000 1.199 340 W HN 0.735 nan 8.180 nan 0.000 0.544 341 K N 4.198 124.222 120.400 -0.627 0.000 2.418 341 K HA 0.236 4.560 4.320 0.006 0.000 0.195 341 K C 0.556 176.753 176.600 -0.672 0.000 1.035 341 K CA 0.828 56.856 56.287 -0.432 0.000 1.003 341 K CB -0.207 32.258 32.500 -0.060 0.000 0.793 341 K HN 0.771 nan 8.250 nan 0.000 0.494 342 G N 1.951 109.686 108.800 -1.774 0.000 3.209 342 G HA2 -0.213 3.751 3.960 0.006 0.000 0.686 342 G HA3 -0.213 3.751 3.960 0.006 0.000 0.686 342 G C -0.800 173.590 174.900 -0.850 0.000 1.065 342 G CA -0.771 43.349 45.100 -1.632 0.000 0.812 342 G HN 0.407 nan 8.290 nan 0.000 0.573 343 H N 1.289 120.031 119.070 -0.548 0.000 3.064 343 H HA 0.422 4.981 4.556 0.006 0.000 0.329 343 H C 0.432 175.338 175.328 -0.704 0.000 1.020 343 H CA 1.340 57.107 56.048 -0.469 0.000 1.402 343 H CB 0.999 30.311 29.762 -0.749 0.000 1.379 343 H HN 1.374 nan 8.280 nan 0.000 0.594 344 A N 5.856 128.045 122.820 -1.052 0.000 2.330 344 A HA 0.475 4.799 4.320 0.006 0.000 0.313 344 A C -0.656 176.750 177.584 -0.296 0.000 1.124 344 A CA -0.578 50.981 52.037 -0.796 0.000 0.774 344 A CB 0.932 19.192 19.000 -1.233 0.000 1.198 344 A HN 0.543 nan 8.150 nan 0.000 0.465 345 V N 0.452 120.384 119.914 0.030 0.000 2.417 345 V HA 0.664 4.788 4.120 0.006 0.000 0.291 345 V C -0.511 175.793 176.094 0.350 0.000 1.024 345 V CA -0.685 61.706 62.300 0.150 0.000 0.861 345 V CB 0.408 32.242 31.823 0.019 0.000 0.985 345 V HN 0.644 nan 8.190 nan 0.000 0.436 346 F N 3.342 123.218 119.950 -0.123 0.000 2.385 346 F HA 0.755 5.285 4.527 0.006 0.000 0.336 346 F C 0.750 176.486 175.800 -0.107 0.000 1.100 346 F CA -0.772 57.189 58.000 -0.065 0.000 1.116 346 F CB 1.733 40.715 39.000 -0.030 0.000 1.166 346 F HN 0.505 nan 8.300 nan 0.000 0.511 347 R N 1.188 121.746 120.500 0.097 0.000 2.947 347 R HA 0.430 4.774 4.340 0.006 0.000 0.253 347 R C -0.871 175.421 176.300 -0.013 0.000 1.208 347 R CA -0.893 55.217 56.100 0.018 0.000 1.012 347 R CB 2.200 32.510 30.300 0.016 0.000 1.267 347 R HN 0.839 nan 8.270 nan 0.000 0.473 348 N N -0.393 118.293 118.700 -0.024 0.000 3.439 348 N HA 0.119 4.862 4.740 0.006 0.000 0.343 348 N C 0.194 175.691 175.510 -0.022 0.000 1.597 348 N CA -0.529 52.498 53.050 -0.038 0.000 0.733 348 N CB 0.544 38.999 38.487 -0.054 0.000 1.973 348 N HN 0.311 nan 8.380 nan 0.000 0.646 349 K N 0.663 121.049 120.400 -0.023 0.000 1.971 349 K HA -0.158 4.166 4.320 0.006 0.000 0.221 349 K C 1.566 178.159 176.600 -0.012 0.000 1.050 349 K CA 2.302 58.581 56.287 -0.014 0.000 0.967 349 K CB -0.802 31.689 32.500 -0.015 0.000 0.733 349 K HN 0.521 nan 8.250 nan 0.000 0.445 350 E N -0.995 119.197 120.200 -0.014 0.000 2.113 350 E HA -0.163 4.191 4.350 0.006 0.000 0.210 350 E C 1.297 177.893 176.600 -0.007 0.000 1.040 350 E CA 2.304 58.697 56.400 -0.011 0.000 0.847 350 E CB -0.544 29.148 29.700 -0.013 0.000 0.755 350 E HN 0.694 nan 8.360 nan 0.000 0.459 351 G N -0.476 108.319 108.800 -0.009 0.000 2.184 351 G HA2 -0.240 3.723 3.960 0.006 0.000 0.206 351 G HA3 -0.240 3.723 3.960 0.006 0.000 0.206 351 G C -0.362 174.533 174.900 -0.008 0.000 0.995 351 G CA 0.054 45.152 45.100 -0.005 0.000 0.651 351 G HN 0.286 nan 8.290 nan 0.000 0.511 352 E N 0.634 120.828 120.200 -0.010 0.000 2.413 352 E HA 0.277 4.631 4.350 0.006 0.000 0.263 352 E C 0.259 176.836 176.600 -0.037 0.000 1.015 352 E CA -0.075 56.319 56.400 -0.012 0.000 0.916 352 E CB 0.839 30.539 29.700 -0.000 0.000 0.947 352 E HN 0.414 nan 8.360 nan 0.000 0.440 353 E N 3.412 123.572 120.200 -0.066 0.000 1.932 353 E HA 0.058 4.412 4.350 0.006 0.000 0.275 353 E C -0.747 175.683 176.600 -0.283 0.000 1.159 353 E CA -0.507 55.786 56.400 -0.179 0.000 0.905 353 E CB 0.132 29.695 29.700 -0.229 0.000 1.059 353 E HN 0.251 nan 8.360 nan 0.000 0.400 354 L N 3.715 124.820 121.223 -0.196 0.000 2.474 354 L HA 0.217 4.561 4.340 0.006 0.000 0.259 354 L C -0.333 176.321 176.870 -0.361 0.000 1.232 354 L CA 0.706 55.460 54.840 -0.143 0.000 0.821 354 L CB 0.227 42.263 42.059 -0.037 0.000 1.108 354 L HN 0.466 nan 8.230 nan 0.000 0.495 355 F N -0.543 119.390 119.950 -0.030 0.000 2.561 355 F HA 0.421 4.952 4.527 0.006 0.000 0.313 355 F C -0.539 175.204 175.800 -0.095 0.000 1.126 355 F CA -1.148 56.806 58.000 -0.076 0.000 0.918 355 F CB 1.623 40.617 39.000 -0.010 0.000 1.199 355 F HN 0.086 nan 8.300 nan 0.000 0.444 356 V N 1.793 121.723 119.914 0.027 0.000 2.427 356 V HA 0.488 4.612 4.120 0.006 0.000 0.268 356 V C 0.271 176.433 176.094 0.112 0.000 1.046 356 V CA -0.808 61.500 62.300 0.013 0.000 0.970 356 V CB 0.472 32.226 31.823 -0.114 0.000 1.001 356 V HN 0.690 nan 8.190 nan 0.000 0.476 357 R N 4.862 125.454 120.500 0.154 0.000 2.522 357 R HA 0.247 4.590 4.340 0.006 0.000 0.284 357 R C 0.277 176.678 176.300 0.168 0.000 1.032 357 R CA 0.431 56.629 56.100 0.163 0.000 1.049 357 R CB 0.160 30.598 30.300 0.230 0.000 0.956 357 R HN 0.838 nan 8.270 nan 0.000 0.422 358 R N 3.265 123.782 120.500 0.028 0.000 2.553 358 R HA 0.316 4.659 4.340 0.006 0.000 0.263 358 R C 0.032 176.038 176.300 -0.488 0.000 1.066 358 R CA -0.815 55.252 56.100 -0.055 0.000 1.135 358 R CB 0.843 31.167 30.300 0.040 0.000 1.148 358 R HN 0.552 nan 8.270 nan 0.000 0.558 359 M N 2.592 121.938 119.600 -0.424 0.000 2.144 359 M HA 0.411 4.894 4.480 0.006 0.000 0.356 359 M C -2.522 173.738 176.300 -0.067 0.000 1.217 359 M CA -1.542 53.346 55.300 -0.688 0.000 1.087 359 M CB 1.578 33.934 32.600 -0.407 0.000 1.609 359 M HN 0.267 nan 8.290 nan 0.000 0.467 360 P HA 0.474 nan 4.420 nan 0.000 0.298 360 P C -0.285 177.166 177.300 0.251 0.000 1.341 360 P CA -0.238 63.017 63.100 0.259 0.000 0.988 360 P CB 1.592 33.374 31.700 0.136 0.000 1.265 361 A N 2.246 125.202 122.820 0.228 0.000 2.433 361 A HA -0.378 3.945 4.320 0.006 0.000 0.272 361 A C 1.755 179.358 177.584 0.031 0.000 3.197 361 A CA 2.980 55.069 52.037 0.087 0.000 1.025 361 A CB -2.580 16.516 19.000 0.160 0.000 0.472 361 A HN 0.593 nan 8.150 nan 0.000 0.422 362 F N -1.221 118.587 119.950 -0.238 0.000 2.053 362 F HA -0.226 4.305 4.527 0.006 0.000 0.295 362 F C 1.144 176.778 175.800 -0.278 0.000 1.102 362 F CA 1.470 59.264 58.000 -0.344 0.000 1.225 362 F CB -0.748 37.904 39.000 -0.579 0.000 0.961 362 F HN 0.258 nan 8.300 nan 0.000 0.495 363 F N 1.297 121.366 119.950 0.198 0.000 2.543 363 F HA 0.039 4.569 4.527 0.006 0.000 0.375 363 F C 1.339 177.181 175.800 0.069 0.000 1.075 363 F CA -0.305 57.779 58.000 0.141 0.000 1.225 363 F CB 0.116 39.232 39.000 0.194 0.000 1.099 363 F HN -0.010 nan 8.300 nan 0.000 0.561 364 E N 0.835 121.197 120.200 0.270 0.000 2.474 364 E HA 0.036 4.390 4.350 0.006 0.000 0.195 364 E C 0.160 176.904 176.600 0.241 0.000 1.039 364 E CA 0.241 56.773 56.400 0.220 0.000 0.881 364 E CB 0.375 30.183 29.700 0.179 0.000 0.970 364 E HN 0.531 nan 8.360 nan 0.000 0.486 365 S N -0.518 115.340 115.700 0.263 0.000 2.541 365 S HA 0.661 5.134 4.470 0.006 0.000 0.271 365 S C -1.073 173.685 174.600 0.263 0.000 1.133 365 S CA -0.847 57.482 58.200 0.215 0.000 0.876 365 S CB 1.840 65.135 63.200 0.159 0.000 1.105 365 S HN 0.005 nan 8.310 nan 0.000 0.470 366 F N 1.665 121.596 119.950 -0.032 0.000 2.662 366 F HA 0.814 5.344 4.527 0.006 0.000 0.312 366 F C -2.584 173.173 175.800 -0.071 0.000 1.113 366 F CA -1.357 56.563 58.000 -0.132 0.000 0.951 366 F CB 2.073 40.988 39.000 -0.142 0.000 1.344 366 F HN 0.681 nan 8.300 nan 0.000 0.462 367 P HA 0.353 nan 4.420 nan 0.000 0.304 367 P C -1.393 175.792 177.300 -0.191 0.000 1.360 367 P CA -0.429 62.478 63.100 -0.321 0.000 0.869 367 P CB 2.118 33.563 31.700 -0.424 0.000 0.988 368 V N 5.733 125.646 119.914 -0.002 0.000 2.409 368 V HA 0.133 4.256 4.120 0.006 0.000 0.270 368 V C -0.023 176.124 176.094 0.089 0.000 1.019 368 V CA 0.175 62.534 62.300 0.098 0.000 1.066 368 V CB -0.983 30.889 31.823 0.083 0.000 1.021 368 V HN 0.395 nan 8.190 nan 0.000 0.476 369 I N 7.129 127.773 120.570 0.124 0.000 2.433 369 I HA 0.416 4.590 4.170 0.006 0.000 0.292 369 I C -0.464 175.761 176.117 0.181 0.000 1.001 369 I CA -0.617 60.756 61.300 0.121 0.000 1.119 369 I CB 2.035 40.056 38.000 0.035 0.000 1.289 369 I HN 0.393 nan 8.210 nan 0.000 0.438 370 L N 5.367 126.719 121.223 0.214 0.000 2.298 370 L HA 0.447 4.790 4.340 0.006 0.000 0.284 370 L C -0.262 176.702 176.870 0.157 0.000 1.013 370 L CA -0.134 54.816 54.840 0.183 0.000 0.824 370 L CB 1.818 43.996 42.059 0.199 0.000 1.221 370 L HN 0.512 nan 8.230 nan 0.000 0.418 371 T N 2.472 117.118 114.554 0.155 0.000 2.840 371 T HA 0.236 4.590 4.350 0.006 0.000 0.287 371 T C -0.199 174.621 174.700 0.200 0.000 0.991 371 T CA -0.867 61.327 62.100 0.156 0.000 0.964 371 T CB 0.670 69.618 68.868 0.132 0.000 0.954 371 T HN 0.716 nan 8.240 nan 0.000 0.438 372 D N 3.805 124.304 120.400 0.165 0.000 2.223 372 D HA 0.130 4.774 4.640 0.006 0.000 0.250 372 D C 0.575 177.039 176.300 0.274 0.000 1.287 372 D CA -0.290 53.823 54.000 0.188 0.000 0.977 372 D CB 0.446 41.309 40.800 0.105 0.000 1.177 372 D HN 0.337 nan 8.370 nan 0.000 0.536 373 K N -1.061 119.506 120.400 0.278 0.000 2.233 373 K HA 0.066 4.389 4.320 0.006 0.000 0.239 373 K C 0.182 176.853 176.600 0.119 0.000 1.064 373 K CA 0.222 56.638 56.287 0.214 0.000 0.884 373 K CB -0.388 32.234 32.500 0.203 0.000 1.166 373 K HN 0.585 nan 8.250 nan 0.000 0.512 374 N N -1.166 117.579 118.700 0.075 0.000 2.922 374 N HA -0.219 4.524 4.740 0.006 0.000 0.231 374 N C 0.296 175.838 175.510 0.052 0.000 0.889 374 N CA 2.068 55.151 53.050 0.054 0.000 1.027 374 N CB -1.514 37.006 38.487 0.055 0.000 1.059 374 N HN 0.826 nan 8.380 nan 0.000 0.613 375 G N -1.424 107.418 108.800 0.069 0.000 2.149 375 G HA2 -0.162 3.802 3.960 0.006 0.000 0.235 375 G HA3 -0.162 3.802 3.960 0.006 0.000 0.235 375 G C -0.126 174.819 174.900 0.075 0.000 1.018 375 G CA 0.312 45.451 45.100 0.065 0.000 0.728 375 G HN 1.007 nan 8.290 nan 0.000 0.508 376 V N 0.928 120.897 119.914 0.092 0.000 2.539 376 V HA 0.702 4.825 4.120 0.006 0.000 0.292 376 V C 1.078 177.254 176.094 0.137 0.000 1.045 376 V CA -0.216 62.147 62.300 0.105 0.000 0.945 376 V CB 1.761 33.644 31.823 0.100 0.000 0.993 376 V HN 1.213 nan 8.190 nan 0.000 0.464 377 V N 5.534 125.547 119.914 0.164 0.000 2.485 377 V HA 0.399 4.523 4.120 0.006 0.000 0.287 377 V C 0.772 177.073 176.094 0.345 0.000 1.022 377 V CA -0.042 62.382 62.300 0.207 0.000 1.067 377 V CB 0.291 32.174 31.823 0.101 0.000 0.967 377 V HN 0.912 nan 8.190 nan 0.000 0.479 378 K N 2.788 123.344 120.400 0.260 0.000 2.402 378 K HA 0.644 4.968 4.320 0.006 0.000 0.204 378 K C 0.210 176.918 176.600 0.180 0.000 1.056 378 K CA 0.770 57.169 56.287 0.187 0.000 1.069 378 K CB 1.476 34.027 32.500 0.085 0.000 0.888 378 K HN 1.058 nan 8.250 nan 0.000 0.546 379 A N 1.971 124.951 122.820 0.266 0.000 2.586 379 A HA 0.454 4.778 4.320 0.006 0.000 0.296 379 A C -2.063 175.778 177.584 0.429 0.000 1.040 379 A CA -0.821 51.372 52.037 0.260 0.000 0.701 379 A CB 0.941 19.882 19.000 -0.098 0.000 1.277 379 A HN 0.174 nan 8.150 nan 0.000 0.413 380 D N 0.894 121.641 120.400 0.579 0.000 2.747 380 D HA 0.220 4.864 4.640 0.006 0.000 0.218 380 D C -1.183 175.250 176.300 0.221 0.000 1.230 380 D CA -0.402 53.837 54.000 0.398 0.000 0.774 380 D CB 0.482 41.375 40.800 0.154 0.000 1.667 380 D HN 0.555 nan 8.370 nan 0.000 0.499 381 I N 1.687 122.224 120.570 -0.054 0.000 2.483 381 I HA 0.130 4.304 4.170 0.006 0.000 0.291 381 I C -2.037 174.068 176.117 -0.020 0.000 1.112 381 I CA -1.263 59.950 61.300 -0.144 0.000 1.350 381 I CB 0.131 37.964 38.000 -0.278 0.000 1.419 381 I HN 0.031 nan 8.210 nan 0.000 0.523 382 P HA 0.055 nan 4.420 nan 0.000 0.282 382 P C 0.321 177.660 177.300 0.065 0.000 1.274 382 P CA -0.234 62.899 63.100 0.056 0.000 0.770 382 P CB 0.539 32.280 31.700 0.069 0.000 0.867 383 F N 3.728 123.654 119.950 -0.040 0.000 2.186 383 F HA 0.002 4.532 4.527 0.006 0.000 0.299 383 F C 1.026 176.813 175.800 -0.022 0.000 1.090 383 F CA 0.969 58.947 58.000 -0.036 0.000 1.307 383 F CB 0.340 39.313 39.000 -0.045 0.000 1.019 383 F HN 0.135 nan 8.300 nan 0.000 0.489 384 R N 1.577 122.189 120.500 0.187 0.000 2.215 384 R HA 0.305 4.649 4.340 0.006 0.000 0.337 384 R C -0.844 175.478 176.300 0.037 0.000 1.010 384 R CA -0.480 55.680 56.100 0.100 0.000 0.871 384 R CB 0.651 31.040 30.300 0.149 0.000 1.134 384 R HN 0.137 nan 8.270 nan 0.000 0.477 385 R N 2.668 123.160 120.500 -0.013 0.000 2.233 385 R HA 0.408 4.751 4.340 0.006 0.000 0.334 385 R C -0.040 176.264 176.300 0.006 0.000 1.037 385 R CA -0.046 56.053 56.100 -0.001 0.000 0.920 385 R CB 1.603 31.887 30.300 -0.026 0.000 1.137 385 R HN 0.748 nan 8.270 nan 0.000 0.492 386 A N 2.561 125.396 122.820 0.025 0.000 2.571 386 A HA -0.017 4.306 4.320 0.006 0.000 0.194 386 A C 0.394 177.999 177.584 0.036 0.000 1.772 386 A CA -0.364 51.688 52.037 0.024 0.000 1.517 386 A CB 0.222 19.235 19.000 0.021 0.000 1.337 386 A HN 0.561 nan 8.150 nan 0.000 0.362 387 E N 1.604 121.832 120.200 0.046 0.000 2.609 387 E HA 0.283 4.636 4.350 0.006 0.000 0.208 387 E C -0.673 175.974 176.600 0.078 0.000 1.013 387 E CA -0.140 56.293 56.400 0.056 0.000 1.093 387 E CB 0.704 30.435 29.700 0.052 0.000 1.129 387 E HN 0.416 nan 8.360 nan 0.000 0.450 388 S N 1.592 117.340 115.700 0.080 0.000 2.498 388 S HA 0.047 4.521 4.470 0.006 0.000 0.281 388 S C 0.849 175.532 174.600 0.139 0.000 1.265 388 S CA 0.134 58.401 58.200 0.111 0.000 1.071 388 S CB 1.608 64.865 63.200 0.095 0.000 0.894 388 S HN 0.275 nan 8.310 nan 0.000 0.491 389 K N 2.056 122.593 120.400 0.229 0.000 2.286 389 K HA 0.114 4.438 4.320 0.006 0.000 0.203 389 K C 0.473 177.199 176.600 0.211 0.000 1.078 389 K CA 0.409 56.831 56.287 0.225 0.000 0.957 389 K CB -0.008 32.683 32.500 0.317 0.000 1.018 389 K HN 0.623 nan 8.250 nan 0.000 0.484 390 Y N 1.133 121.476 120.300 0.071 0.000 2.500 390 Y HA 0.214 4.768 4.550 0.006 0.000 0.270 390 Y C 0.865 176.848 175.900 0.138 0.000 1.134 390 Y CA -0.278 57.874 58.100 0.087 0.000 1.293 390 Y CB -0.341 38.173 38.460 0.091 0.000 1.063 390 Y HN -0.053 nan 8.280 nan 0.000 0.534 391 S N 1.088 116.980 115.700 0.319 0.000 2.806 391 S HA -0.189 4.285 4.470 0.006 0.000 0.334 391 S C 0.347 175.167 174.600 0.366 0.000 1.226 391 S CA -0.461 57.916 58.200 0.295 0.000 1.017 391 S CB -0.167 63.145 63.200 0.187 0.000 0.712 391 S HN 0.135 nan 8.310 nan 0.000 0.491 392 F N 3.556 123.569 119.950 0.104 0.000 2.521 392 F HA 0.204 4.735 4.527 0.006 0.000 0.298 392 F C 1.996 177.838 175.800 0.069 0.000 1.289 392 F CA 0.478 58.536 58.000 0.097 0.000 1.315 392 F CB -0.480 38.579 39.000 0.099 0.000 1.257 392 F HN 1.014 nan 8.300 nan 0.000 0.541 393 E N -1.765 118.578 120.200 0.238 0.000 4.234 393 E HA -0.410 3.944 4.350 0.006 0.000 0.187 393 E C 1.676 178.327 176.600 0.084 0.000 1.237 393 E CA 1.527 58.010 56.400 0.137 0.000 2.362 393 E CB -1.115 28.665 29.700 0.134 0.000 1.813 393 E HN 0.755 nan 8.360 nan 0.000 0.402 394 Q N 0.453 120.308 119.800 0.092 0.000 2.181 394 Q HA -0.160 4.183 4.340 0.006 0.000 0.205 394 Q C 1.710 177.725 176.000 0.025 0.000 0.980 394 Q CA 1.487 57.324 55.803 0.055 0.000 0.862 394 Q CB -0.123 28.653 28.738 0.063 0.000 0.905 394 Q HN 0.340 nan 8.270 nan 0.000 0.429 395 Q N 0.117 119.929 119.800 0.020 0.000 2.282 395 Q HA 0.143 4.487 4.340 0.006 0.000 0.206 395 Q C 0.146 176.122 176.000 -0.040 0.000 0.878 395 Q CA 0.568 56.356 55.803 -0.025 0.000 0.944 395 Q CB 1.164 29.877 28.738 -0.042 0.000 1.100 395 Q HN 0.535 nan 8.270 nan 0.000 0.509 396 G N 2.402 111.194 108.800 -0.012 0.000 2.193 396 G HA2 -0.225 3.739 3.960 0.006 0.000 0.232 396 G HA3 -0.225 3.739 3.960 0.006 0.000 0.232 396 G C 0.234 175.096 174.900 -0.064 0.000 0.628 396 G CA 0.674 45.769 45.100 -0.009 0.000 1.056 396 G HN 0.271 nan 8.290 nan 0.000 0.328 397 V N 1.459 121.287 119.914 -0.144 0.000 3.134 397 V HA 1.021 5.144 4.120 0.006 0.000 0.313 397 V C 0.466 176.526 176.094 -0.057 0.000 1.069 397 V CA 0.538 62.719 62.300 -0.197 0.000 1.048 397 V CB 2.233 33.706 31.823 -0.583 0.000 1.119 397 V HN 1.969 nan 8.190 nan 0.000 0.461 398 T N 0.952 115.480 114.554 -0.044 0.000 3.159 398 T HA 0.589 4.942 4.350 0.006 0.000 0.343 398 T C -0.760 173.896 174.700 -0.073 0.000 1.364 398 T CA -0.058 62.034 62.100 -0.014 0.000 1.102 398 T CB 0.673 69.544 68.868 0.006 0.000 1.263 398 T HN 2.036 nan 8.240 nan 0.000 0.477 399 V N 0.135 119.979 119.914 -0.118 0.000 2.850 399 V HA 0.993 5.117 4.120 0.006 0.000 0.315 399 V C -0.481 175.642 176.094 0.047 0.000 1.064 399 V CA -0.631 61.542 62.300 -0.212 0.000 0.979 399 V CB 1.820 33.254 31.823 -0.648 0.000 1.039 399 V HN 1.132 nan 8.190 nan 0.000 0.452 400 S N 2.686 118.467 115.700 0.136 0.000 2.571 400 S HA 0.695 5.169 4.470 0.006 0.000 0.284 400 S C -0.991 173.774 174.600 0.275 0.000 1.128 400 S CA -0.301 57.995 58.200 0.161 0.000 0.970 400 S CB 1.283 64.605 63.200 0.202 0.000 1.039 400 S HN 0.663 nan 8.310 nan 0.000 0.485 401 F N 2.232 121.981 119.950 -0.334 0.000 2.408 401 F HA 0.494 5.024 4.527 0.006 0.000 0.344 401 F C -0.528 174.981 175.800 -0.485 0.000 1.112 401 F CA -0.762 57.062 58.000 -0.293 0.000 1.096 401 F CB 0.991 39.785 39.000 -0.344 0.000 1.129 401 F HN 0.525 nan 8.300 nan 0.000 0.486 402 Y N 1.430 121.688 120.300 -0.071 0.000 2.338 402 Y HA 0.580 5.134 4.550 0.006 0.000 0.333 402 Y C 0.467 176.371 175.900 0.007 0.000 0.968 402 Y CA -0.901 57.205 58.100 0.010 0.000 1.123 402 Y CB 1.743 40.273 38.460 0.116 0.000 1.165 402 Y HN 0.889 nan 8.280 nan 0.000 0.452 403 G N 1.175 110.054 108.800 0.132 0.000 2.756 403 G HA2 0.358 4.322 3.960 0.006 0.000 0.678 403 G HA3 0.358 4.322 3.960 0.006 0.000 0.678 403 G C 0.048 174.767 174.900 -0.301 0.000 1.349 403 G CA -0.283 44.880 45.100 0.105 0.000 0.847 403 G HN 1.720 nan 8.290 nan 0.000 0.548 404 G N -0.866 107.718 108.800 -0.359 0.000 2.584 404 G HA2 0.027 3.991 3.960 0.006 0.000 0.229 404 G HA3 0.027 3.991 3.960 0.006 0.000 0.229 404 G C 0.757 175.491 174.900 -0.276 0.000 1.320 404 G CA 0.952 45.653 45.100 -0.665 0.000 0.891 404 G HN 1.450 nan 8.290 nan 0.000 0.573 405 E N -0.782 119.247 120.200 -0.285 0.000 2.102 405 E HA 0.178 4.531 4.350 0.006 0.000 0.190 405 E C 2.688 179.191 176.600 -0.162 0.000 0.971 405 E CA 0.494 56.801 56.400 -0.154 0.000 0.821 405 E CB 0.008 29.642 29.700 -0.110 0.000 0.777 405 E HN 0.409 nan 8.360 nan 0.000 0.460 406 L N 1.966 123.072 121.223 -0.195 0.000 2.610 406 L HA -0.025 4.319 4.340 0.006 0.000 0.232 406 L C 0.827 177.531 176.870 -0.277 0.000 1.149 406 L CA -0.299 54.380 54.840 -0.267 0.000 0.872 406 L CB -0.365 41.381 42.059 -0.522 0.000 0.992 406 L HN 0.094 nan 8.230 nan 0.000 0.447 407 N N 0.680 119.267 118.700 -0.188 0.000 2.147 407 N HA -0.151 4.592 4.740 0.006 0.000 0.243 407 N C 1.325 176.685 175.510 -0.251 0.000 1.234 407 N CA 1.540 54.482 53.050 -0.180 0.000 0.847 407 N CB 0.306 38.716 38.487 -0.129 0.000 1.083 407 N HN 0.257 nan 8.380 nan 0.000 0.457 408 G N 0.013 108.621 108.800 -0.320 0.000 2.270 408 G HA2 -0.341 3.622 3.960 0.006 0.000 0.268 408 G HA3 -0.341 3.622 3.960 0.006 0.000 0.268 408 G C 0.053 174.724 174.900 -0.382 0.000 0.982 408 G CA 1.087 45.983 45.100 -0.339 0.000 0.628 408 G HN 0.786 nan 8.290 nan 0.000 0.544 409 Q N -0.295 119.231 119.800 -0.457 0.000 2.249 409 Q HA 0.634 4.978 4.340 0.006 0.000 0.226 409 Q C -0.556 175.057 176.000 -0.645 0.000 0.983 409 Q CA 0.195 55.636 55.803 -0.603 0.000 0.930 409 Q CB 1.131 29.368 28.738 -0.836 0.000 1.193 409 Q HN 0.175 nan 8.270 nan 0.000 0.508 410 T N 1.355 115.480 114.554 -0.715 0.000 3.170 410 T HA 0.396 4.750 4.350 0.006 0.000 0.315 410 T C -1.327 173.054 174.700 -0.532 0.000 0.967 410 T CA -0.519 61.295 62.100 -0.478 0.000 1.024 410 T CB 0.222 68.943 68.868 -0.246 0.000 1.018 410 T HN 0.239 nan 8.240 nan 0.000 0.449 411 F N 2.244 122.140 119.950 -0.090 0.000 2.394 411 F HA 0.467 4.998 4.527 0.006 0.000 0.340 411 F C 1.830 177.615 175.800 -0.024 0.000 1.105 411 F CA -0.680 57.290 58.000 -0.049 0.000 1.124 411 F CB 1.615 40.617 39.000 0.004 0.000 1.145 411 F HN 0.639 nan 8.300 nan 0.000 0.505 412 T N -3.478 111.178 114.554 0.170 0.000 2.989 412 T HA 0.032 4.386 4.350 0.006 0.000 0.250 412 T C 0.132 174.890 174.700 0.097 0.000 0.981 412 T CA -0.195 61.963 62.100 0.097 0.000 0.980 412 T CB -0.295 68.600 68.868 0.045 0.000 1.133 412 T HN 0.487 nan 8.240 nan 0.000 0.489 413 D N 3.372 123.833 120.400 0.102 0.000 2.363 413 D HA 0.138 4.781 4.640 0.006 0.000 0.263 413 D C -1.833 174.512 176.300 0.076 0.000 1.258 413 D CA -1.471 52.572 54.000 0.072 0.000 0.907 413 D CB 1.331 42.161 40.800 0.050 0.000 1.107 413 D HN 0.043 nan 8.370 nan 0.000 0.495 414 P HA -0.249 nan 4.420 nan 0.000 0.216 414 P C -1.399 175.943 177.300 0.069 0.000 1.062 414 P CA 2.121 65.292 63.100 0.119 0.000 0.995 414 P CB -1.040 30.723 31.700 0.104 0.000 0.762 415 P HA -0.264 nan 4.420 nan 0.000 0.219 415 P C 1.548 178.805 177.300 -0.072 0.000 1.159 415 P CA 2.704 65.783 63.100 -0.035 0.000 0.944 415 P CB -0.939 30.735 31.700 -0.043 0.000 0.792 416 T N -0.824 113.677 114.554 -0.087 0.000 2.622 416 T HA -0.155 4.199 4.350 0.006 0.000 0.266 416 T C 1.828 176.456 174.700 -0.120 0.000 1.047 416 T CA 1.394 63.377 62.100 -0.196 0.000 1.159 416 T CB -1.300 67.436 68.868 -0.220 0.000 0.863 416 T HN -0.112 nan 8.240 nan 0.000 0.422 417 V N 1.631 121.581 119.914 0.060 0.000 2.220 417 V HA -0.313 3.811 4.120 0.006 0.000 0.250 417 V C 2.563 178.769 176.094 0.186 0.000 1.056 417 V CA 2.029 64.430 62.300 0.169 0.000 1.016 417 V CB -0.499 31.458 31.823 0.223 0.000 0.639 417 V HN 0.493 nan 8.190 nan 0.000 0.446 418 K N -0.380 120.104 120.400 0.139 0.000 2.107 418 K HA -0.262 4.061 4.320 0.006 0.000 0.211 418 K C 2.404 178.987 176.600 -0.028 0.000 1.049 418 K CA 1.926 58.187 56.287 -0.043 0.000 0.927 418 K CB -0.495 31.916 32.500 -0.149 0.000 0.714 418 K HN 0.563 nan 8.250 nan 0.000 0.452 419 S N 0.118 115.758 115.700 -0.101 0.000 2.353 419 S HA -0.192 4.281 4.470 0.006 0.000 0.222 419 S C 1.924 176.456 174.600 -0.113 0.000 1.035 419 S CA 1.188 59.275 58.200 -0.187 0.000 1.025 419 S CB -0.336 62.627 63.200 -0.396 0.000 0.902 419 S HN 0.290 nan 8.310 nan 0.000 0.440 420 Y N 1.890 122.232 120.300 0.069 0.000 2.207 420 Y HA 0.001 4.554 4.550 0.006 0.000 0.287 420 Y C 2.831 178.959 175.900 0.381 0.000 1.156 420 Y CA 0.563 58.771 58.100 0.179 0.000 1.182 420 Y CB -1.175 37.361 38.460 0.126 0.000 0.979 420 Y HN 0.396 nan 8.280 nan 0.000 0.521 421 A N -0.027 123.162 122.820 0.615 0.000 1.933 421 A HA -0.231 4.092 4.320 0.006 0.000 0.218 421 A C 2.401 180.225 177.584 0.399 0.000 1.175 421 A CA 1.803 54.250 52.037 0.683 0.000 0.628 421 A CB -0.681 18.705 19.000 0.644 0.000 0.814 421 A HN 0.431 nan 8.150 nan 0.000 0.444 422 R N -0.421 120.246 120.500 0.278 0.000 2.062 422 R HA -0.120 4.223 4.340 0.006 0.000 0.231 422 R C 1.305 177.835 176.300 0.382 0.000 1.136 422 R CA 1.760 58.018 56.100 0.264 0.000 0.948 422 R CB -0.196 30.190 30.300 0.143 0.000 0.845 422 R HN 0.248 nan 8.270 nan 0.000 0.430 423 K N 0.078 120.648 120.400 0.282 0.000 2.589 423 K HA 0.081 4.405 4.320 0.006 0.000 0.192 423 K C 1.091 177.960 176.600 0.447 0.000 1.029 423 K CA 0.662 57.094 56.287 0.242 0.000 1.031 423 K CB 0.391 32.967 32.500 0.127 0.000 0.821 423 K HN 0.300 nan 8.250 nan 0.000 0.502 424 A N 0.372 123.478 122.820 0.476 0.000 1.911 424 A HA -0.003 4.320 4.320 0.006 0.000 0.212 424 A C 1.601 179.444 177.584 0.432 0.000 1.189 424 A CA 0.492 52.781 52.037 0.420 0.000 0.639 424 A CB -0.123 19.083 19.000 0.344 0.000 0.839 424 A HN 0.140 nan 8.150 nan 0.000 0.449 425 I N -0.266 120.567 120.570 0.438 0.000 2.623 425 I HA -0.216 3.957 4.170 0.006 0.000 0.261 425 I C 1.439 177.717 176.117 0.270 0.000 1.204 425 I CA 1.264 62.752 61.300 0.312 0.000 1.444 425 I CB -1.610 36.537 38.000 0.244 0.000 1.094 425 I HN 0.342 nan 8.210 nan 0.000 0.451 426 F N 0.259 120.376 119.950 0.278 0.000 2.797 426 F HA 0.321 4.852 4.527 0.006 0.000 0.302 426 F C 1.788 177.775 175.800 0.312 0.000 1.130 426 F CA 0.451 58.573 58.000 0.203 0.000 1.387 426 F CB 0.033 39.219 39.000 0.310 0.000 1.107 426 F HN 0.235 nan 8.300 nan 0.000 0.577 427 G N 0.013 109.202 108.800 0.649 0.000 2.826 427 G HA2 -0.185 3.778 3.960 0.006 0.000 0.233 427 G HA3 -0.185 3.778 3.960 0.006 0.000 0.233 427 G C -0.611 174.658 174.900 0.615 0.000 1.296 427 G CA -0.807 44.707 45.100 0.691 0.000 1.001 427 G HN 0.007 nan 8.290 nan 0.000 0.576 428 E N 0.962 121.590 120.200 0.714 0.000 2.229 428 E HA 0.518 4.872 4.350 0.006 0.000 0.283 428 E C 0.024 177.065 176.600 0.735 0.000 1.030 428 E CA -0.382 56.421 56.400 0.672 0.000 0.836 428 E CB 1.225 31.382 29.700 0.761 0.000 1.068 428 E HN 0.400 nan 8.360 nan 0.000 0.401 429 I N 3.558 124.396 120.570 0.447 0.000 2.519 429 I HA 0.189 4.362 4.170 0.006 0.000 0.287 429 I C 0.181 176.426 176.117 0.213 0.000 1.047 429 I CA 0.184 61.720 61.300 0.393 0.000 1.381 429 I CB 0.033 38.217 38.000 0.306 0.000 1.417 429 I HN 0.291 nan 8.210 nan 0.000 0.540 430 F N 2.042 122.179 119.950 0.312 0.000 2.691 430 F HA 0.509 5.039 4.527 0.006 0.000 0.334 430 F C 0.147 176.125 175.800 0.296 0.000 1.107 430 F CA -0.955 57.200 58.000 0.259 0.000 0.991 430 F CB 1.098 40.140 39.000 0.070 0.000 1.400 430 F HN 0.361 nan 8.300 nan 0.000 0.503 431 E N 0.926 121.319 120.200 0.323 0.000 2.145 431 E HA 0.439 4.793 4.350 0.006 0.000 0.270 431 E C -1.858 174.857 176.600 0.192 0.000 0.906 431 E CA -0.420 56.143 56.400 0.271 0.000 0.761 431 E CB 0.799 30.568 29.700 0.115 0.000 1.116 431 E HN 0.305 nan 8.360 nan 0.000 0.408 432 F N 2.432 122.402 119.950 0.033 0.000 2.443 432 F HA 0.204 4.735 4.527 0.006 0.000 0.335 432 F C 0.508 176.305 175.800 -0.004 0.000 1.104 432 F CA -1.098 56.911 58.000 0.014 0.000 1.013 432 F CB 1.291 40.304 39.000 0.021 0.000 1.136 432 F HN 0.341 nan 8.300 nan 0.000 0.470 433 D N 1.981 122.448 120.400 0.112 0.000 2.365 433 D HA 0.073 4.717 4.640 0.006 0.000 0.237 433 D C 0.919 177.272 176.300 0.089 0.000 1.190 433 D CA 0.187 54.223 54.000 0.060 0.000 0.867 433 D CB 1.165 41.964 40.800 -0.002 0.000 1.050 433 D HN 0.736 nan 8.370 nan 0.000 0.491 434 T N 0.744 115.347 114.554 0.082 0.000 3.040 434 T HA -0.007 4.346 4.350 0.006 0.000 0.252 434 T C 1.535 176.257 174.700 0.036 0.000 1.064 434 T CA 0.135 62.276 62.100 0.069 0.000 1.110 434 T CB 0.234 69.131 68.868 0.048 0.000 0.921 434 T HN 0.166 nan 8.240 nan 0.000 0.480 435 E N 1.853 122.066 120.200 0.023 0.000 2.038 435 E HA -0.096 4.257 4.350 0.006 0.000 0.195 435 E C 2.305 178.909 176.600 0.006 0.000 1.000 435 E CA 2.053 58.459 56.400 0.010 0.000 0.803 435 E CB -0.943 28.758 29.700 0.002 0.000 0.750 435 E HN 0.590 nan 8.360 nan 0.000 0.448 436 T N 1.029 115.584 114.554 0.002 0.000 2.531 436 T HA -0.237 4.116 4.350 0.006 0.000 0.261 436 T C 1.364 176.065 174.700 0.000 0.000 1.141 436 T CA 2.195 64.292 62.100 -0.006 0.000 1.176 436 T CB -0.537 68.321 68.868 -0.017 0.000 0.863 436 T HN 0.215 nan 8.240 nan 0.000 0.424 437 L N 0.550 121.779 121.223 0.009 0.000 2.783 437 L HA 0.514 4.857 4.340 0.006 0.000 0.236 437 L C 0.360 177.244 176.870 0.023 0.000 1.225 437 L CA -0.600 54.249 54.840 0.016 0.000 1.026 437 L CB -1.279 40.792 42.059 0.020 0.000 1.314 437 L HN 0.145 nan 8.230 nan 0.000 0.489 438 N N 0.795 119.506 118.700 0.019 0.000 2.669 438 N HA -0.234 4.509 4.740 0.006 0.000 0.266 438 N C 0.098 175.622 175.510 0.024 0.000 1.024 438 N CA 0.980 54.041 53.050 0.017 0.000 0.766 438 N CB -0.798 37.697 38.487 0.012 0.000 0.898 438 N HN 0.623 nan 8.380 nan 0.000 0.548 439 S N 0.195 115.914 115.700 0.032 0.000 2.572 439 S HA -0.035 4.439 4.470 0.006 0.000 0.262 439 S C 1.384 175.994 174.600 0.018 0.000 1.375 439 S CA 0.559 58.782 58.200 0.038 0.000 0.996 439 S CB 0.460 63.691 63.200 0.051 0.000 0.892 439 S HN 0.711 nan 8.310 nan 0.000 0.562 440 D N -1.285 119.123 120.400 0.014 0.000 2.482 440 D HA 0.212 4.855 4.640 0.006 0.000 0.251 440 D C 0.783 177.062 176.300 -0.036 0.000 1.073 440 D CA 0.705 54.704 54.000 -0.002 0.000 0.892 440 D CB -0.504 40.306 40.800 0.017 0.000 1.202 440 D HN 0.852 nan 8.370 nan 0.000 0.496 441 G N 0.750 109.515 108.800 -0.058 0.000 2.356 441 G HA2 -0.075 3.889 3.960 0.006 0.000 0.233 441 G HA3 -0.075 3.889 3.960 0.006 0.000 0.233 441 G C -0.136 174.633 174.900 -0.218 0.000 1.105 441 G CA 0.089 45.103 45.100 -0.144 0.000 0.861 441 G HN 0.308 nan 8.290 nan 0.000 0.493 442 I N 1.366 121.838 120.570 -0.163 0.000 2.831 442 I HA 0.177 4.351 4.170 0.006 0.000 0.326 442 I C 1.174 177.381 176.117 0.149 0.000 1.449 442 I CA -1.214 59.988 61.300 -0.163 0.000 0.809 442 I CB -1.025 36.989 38.000 0.023 0.000 2.112 442 I HN 0.467 nan 8.210 nan 0.000 0.584 443 F N 0.892 120.884 119.950 0.070 0.000 2.100 443 F HA -0.197 4.333 4.527 0.006 0.000 0.436 443 F C 0.289 176.118 175.800 0.049 0.000 0.805 443 F CA -0.011 58.030 58.000 0.069 0.000 1.045 443 F CB -0.253 38.769 39.000 0.037 0.000 0.820 443 F HN 0.238 nan 8.300 nan 0.000 0.536 444 R N 2.019 122.706 120.500 0.312 0.000 2.720 444 R HA 0.452 4.796 4.340 0.006 0.000 0.272 444 R C 0.242 176.602 176.300 0.100 0.000 0.991 444 R CA -0.738 55.486 56.100 0.207 0.000 1.010 444 R CB 1.201 31.665 30.300 0.274 0.000 1.141 444 R HN 0.744 nan 8.270 nan 0.000 0.494 445 T N -0.380 114.164 114.554 -0.016 0.000 2.734 445 T HA 0.166 4.520 4.350 0.006 0.000 0.314 445 T C 0.381 175.106 174.700 0.040 0.000 1.057 445 T CA -0.055 61.945 62.100 -0.167 0.000 1.047 445 T CB 0.285 68.854 68.868 -0.498 0.000 0.991 445 T HN 0.620 nan 8.240 nan 0.000 0.540 446 S N 2.025 117.722 115.700 -0.005 0.000 2.745 446 S HA 0.528 5.001 4.470 0.006 0.000 0.292 446 S C -1.673 173.111 174.600 0.307 0.000 1.133 446 S CA -1.235 57.073 58.200 0.180 0.000 0.998 446 S CB 1.466 64.694 63.200 0.046 0.000 1.087 446 S HN 0.623 nan 8.310 nan 0.000 0.551 447 P HA -0.143 nan 4.420 nan 0.000 0.217 447 P C 1.582 179.028 177.300 0.242 0.000 1.150 447 P CA 1.047 64.398 63.100 0.418 0.000 0.832 447 P CB -0.154 31.750 31.700 0.339 0.000 0.787 448 R N 0.578 121.117 120.500 0.065 0.000 2.133 448 R HA -0.144 4.200 4.340 0.006 0.000 0.247 448 R C 2.320 178.663 176.300 0.072 0.000 1.151 448 R CA 2.382 58.477 56.100 -0.007 0.000 0.971 448 R CB -1.308 28.925 30.300 -0.111 0.000 0.866 448 R HN 0.173 nan 8.270 nan 0.000 0.447 449 G N -0.394 108.431 108.800 0.042 0.000 2.417 449 G HA2 -0.198 3.765 3.960 0.006 0.000 0.212 449 G HA3 -0.198 3.765 3.960 0.006 0.000 0.212 449 G C 0.940 175.931 174.900 0.152 0.000 1.187 449 G CA 0.356 45.527 45.100 0.119 0.000 0.804 449 G HN 0.437 nan 8.290 nan 0.000 0.534 450 W N 0.387 121.790 121.300 0.172 0.000 2.289 450 W HA -0.186 4.478 4.660 0.007 0.000 0.331 450 W C 2.237 178.891 176.519 0.224 0.000 1.283 450 W CA 1.302 58.737 57.345 0.150 0.000 1.252 450 W CB -0.817 28.678 29.460 0.059 0.000 1.153 450 W HN 0.159 nan 8.180 nan 0.000 0.467 451 F N 1.199 121.369 119.950 0.367 0.000 2.039 451 F HA -0.435 4.096 4.527 0.006 0.000 0.296 451 F C 2.443 178.403 175.800 0.267 0.000 1.119 451 F CA 2.987 61.188 58.000 0.334 0.000 1.211 451 F CB -1.144 37.975 39.000 0.198 0.000 0.956 451 F HN -0.240 nan 8.300 nan 0.000 0.496 452 T N 0.224 115.065 114.554 0.478 0.000 2.714 452 T HA -0.331 4.022 4.350 0.006 0.000 0.268 452 T C 1.547 176.302 174.700 0.092 0.000 1.036 452 T CA 1.803 64.070 62.100 0.278 0.000 1.148 452 T CB -0.812 68.263 68.868 0.347 0.000 0.856 452 T HN 0.422 nan 8.240 nan 0.000 0.462 453 F N 1.048 120.968 119.950 -0.050 0.000 2.558 453 F HA 0.372 4.902 4.527 0.006 0.000 0.298 453 F C 2.066 177.710 175.800 -0.261 0.000 1.119 453 F CA 0.351 58.239 58.000 -0.186 0.000 1.451 453 F CB -0.186 38.688 39.000 -0.210 0.000 1.091 453 F HN 0.125 nan 8.300 nan 0.000 0.563 454 A N -1.306 121.245 122.820 -0.448 0.000 2.085 454 A HA 0.058 4.381 4.320 0.006 0.000 0.208 454 A C 0.775 177.727 177.584 -1.052 0.000 1.191 454 A CA 0.195 51.609 52.037 -1.039 0.000 0.799 454 A CB -0.859 17.507 19.000 -1.056 0.000 0.877 454 A HN 0.451 nan 8.150 nan 0.000 0.473 455 H N 0.188 118.879 119.070 -0.632 0.000 2.749 455 H HA 0.561 5.120 4.556 0.006 0.000 0.306 455 H C 1.122 176.113 175.328 -0.561 0.000 1.091 455 H CA 0.324 56.064 56.048 -0.513 0.000 1.180 455 H CB -0.294 29.210 29.762 -0.430 0.000 1.349 455 H HN 0.515 nan 8.280 nan 0.000 0.570 456 A N -0.154 122.325 122.820 -0.569 0.000 2.940 456 A HA 0.131 4.455 4.320 0.006 0.000 0.210 456 A C 2.028 179.340 177.584 -0.453 0.000 2.267 456 A CA 0.301 52.003 52.037 -0.559 0.000 1.544 456 A CB -0.477 18.088 19.000 -0.725 0.000 1.180 456 A HN 0.179 nan 8.150 nan 0.000 0.403 457 V N 0.256 119.896 119.914 -0.458 0.000 2.546 457 V HA -0.237 3.887 4.120 0.006 0.000 0.254 457 V C 2.182 178.334 176.094 0.097 0.000 1.076 457 V CA 1.929 64.120 62.300 -0.181 0.000 1.087 457 V CB -1.210 30.472 31.823 -0.236 0.000 0.674 457 V HN 0.528 nan 8.190 nan 0.000 0.470 458 F N 0.418 120.110 119.950 -0.430 0.000 2.416 458 F HA 0.267 4.797 4.527 0.006 0.000 0.296 458 F C 2.294 177.720 175.800 -0.624 0.000 1.099 458 F CA 0.271 57.953 58.000 -0.531 0.000 1.427 458 F CB -1.148 37.451 39.000 -0.668 0.000 1.079 458 F HN 0.162 nan 8.300 nan 0.000 0.536 459 A N -0.102 122.536 122.820 -0.304 0.000 1.887 459 A HA 0.007 4.330 4.320 0.006 0.000 0.212 459 A C 2.194 179.867 177.584 0.149 0.000 1.198 459 A CA 0.622 52.507 52.037 -0.253 0.000 0.628 459 A CB -0.960 17.412 19.000 -1.047 0.000 0.847 459 A HN 0.302 nan 8.150 nan 0.000 0.449 460 L N -0.231 121.028 121.223 0.061 0.000 2.046 460 L HA -0.113 4.230 4.340 0.006 0.000 0.208 460 L C 2.353 179.402 176.870 0.300 0.000 1.077 460 L CA 1.293 56.294 54.840 0.269 0.000 0.747 460 L CB -0.203 41.942 42.059 0.142 0.000 0.896 460 L HN 0.401 nan 8.230 nan 0.000 0.432 461 L N -1.576 119.784 121.223 0.229 0.000 2.056 461 L HA -0.218 4.125 4.340 0.006 0.000 0.207 461 L C 2.398 179.501 176.870 0.388 0.000 1.078 461 L CA 1.322 56.318 54.840 0.259 0.000 0.749 461 L CB -0.584 41.598 42.059 0.204 0.000 0.901 461 L HN 0.220 nan 8.230 nan 0.000 0.433 462 F N -0.154 119.863 119.950 0.112 0.000 2.043 462 F HA -0.379 4.151 4.527 0.006 0.000 0.297 462 F C 2.620 178.468 175.800 0.080 0.000 1.121 462 F CA 1.575 59.654 58.000 0.132 0.000 1.199 462 F CB -0.514 38.635 39.000 0.249 0.000 0.968 462 F HN 0.085 nan 8.300 nan 0.000 0.478 463 F N 1.221 121.161 119.950 -0.017 0.000 2.085 463 F HA -0.383 4.148 4.527 0.006 0.000 0.299 463 F C 2.117 177.934 175.800 0.029 0.000 1.096 463 F CA 1.795 59.535 58.000 -0.433 0.000 1.227 463 F CB -1.498 37.041 39.000 -0.768 0.000 0.983 463 F HN 0.097 nan 8.300 nan 0.000 0.482 464 F N 1.529 120.872 119.950 -1.011 0.000 2.095 464 F HA 0.003 4.534 4.527 0.006 0.000 0.298 464 F C 2.157 177.598 175.800 -0.599 0.000 1.104 464 F CA 1.951 59.221 58.000 -1.216 0.000 1.232 464 F CB -1.187 37.536 39.000 -0.462 0.000 0.987 464 F HN 0.001 nan 8.300 nan 0.000 0.475 465 G N -1.624 106.405 108.800 -1.286 0.000 2.920 465 G HA2 -0.212 3.752 3.960 0.006 0.000 0.208 465 G HA3 -0.212 3.752 3.960 0.006 0.000 0.208 465 G C 1.139 175.749 174.900 -0.483 0.000 1.159 465 G CA 0.565 45.071 45.100 -0.990 0.000 0.784 465 G HN 0.647 nan 8.290 nan 0.000 0.535 466 H N 0.185 119.031 119.070 -0.373 0.000 2.518 466 H HA 0.065 4.625 4.556 0.006 0.000 0.289 466 H C 1.941 177.174 175.328 -0.158 0.000 1.051 466 H CA 0.865 56.842 56.048 -0.119 0.000 1.280 466 H CB 0.078 29.934 29.762 0.155 0.000 1.380 466 H HN 0.296 nan 8.280 nan 0.000 0.566 467 I N -0.449 119.796 120.570 -0.541 0.000 2.429 467 I HA -0.133 4.041 4.170 0.006 0.000 0.247 467 I C 2.467 178.339 176.117 -0.407 0.000 1.099 467 I CA 0.727 61.742 61.300 -0.475 0.000 1.422 467 I CB -0.974 36.772 38.000 -0.424 0.000 1.112 467 I HN 0.497 nan 8.210 nan 0.000 0.430 468 W N 0.993 121.904 121.300 -0.649 0.000 2.379 468 W HA -0.227 4.437 4.660 0.006 0.000 0.307 468 W C 2.352 178.788 176.519 -0.138 0.000 1.200 468 W CA 1.613 58.716 57.345 -0.403 0.000 1.297 468 W CB -0.527 28.618 29.460 -0.525 0.000 1.140 468 W HN 0.219 nan 8.180 nan 0.000 0.507 469 H N -0.154 118.670 119.070 -0.410 0.000 2.363 469 H HA 0.054 4.614 4.556 0.006 0.000 0.301 469 H C 2.498 177.570 175.328 -0.426 0.000 1.074 469 H CA 1.666 57.455 56.048 -0.431 0.000 1.354 469 H CB -1.118 28.534 29.762 -0.184 0.000 1.397 469 H HN 0.220 nan 8.280 nan 0.000 0.516 470 G N -0.535 108.097 108.800 -0.281 0.000 2.708 470 G HA2 0.022 3.986 3.960 0.006 0.000 0.210 470 G HA3 0.022 3.986 3.960 0.006 0.000 0.210 470 G C 1.390 176.080 174.900 -0.351 0.000 1.141 470 G CA 0.736 45.637 45.100 -0.332 0.000 0.788 470 G HN 0.505 nan 8.290 nan 0.000 0.531 471 A N -0.260 122.308 122.820 -0.420 0.000 2.259 471 A HA 0.352 4.675 4.320 0.006 0.000 0.213 471 A C 2.148 179.531 177.584 -0.335 0.000 1.209 471 A CA -0.093 51.648 52.037 -0.493 0.000 0.910 471 A CB 0.206 18.911 19.000 -0.493 0.000 0.946 471 A HN 0.243 nan 8.150 nan 0.000 0.497 472 R N -0.586 119.636 120.500 -0.463 0.000 2.280 472 R HA 0.060 4.403 4.340 0.006 0.000 0.195 472 R C 1.342 177.446 176.300 -0.327 0.000 0.935 472 R CA 1.129 56.884 56.100 -0.576 0.000 1.033 472 R CB -0.008 29.687 30.300 -1.008 0.000 0.964 472 R HN 0.431 nan 8.270 nan 0.000 0.489 473 T N 1.333 115.738 114.554 -0.248 0.000 2.735 473 T HA 0.034 4.387 4.350 0.006 0.000 0.256 473 T C 1.786 176.470 174.700 -0.026 0.000 1.042 473 T CA 0.732 62.745 62.100 -0.145 0.000 1.147 473 T CB 0.000 68.786 68.868 -0.138 0.000 0.865 473 T HN 0.089 nan 8.240 nan 0.000 0.421 474 L N -0.278 120.964 121.223 0.032 0.000 2.395 474 L HA 0.219 4.562 4.340 0.006 0.000 0.218 474 L C 0.871 178.031 176.870 0.482 0.000 1.130 474 L CA 1.002 55.969 54.840 0.211 0.000 0.826 474 L CB -0.236 41.965 42.059 0.237 0.000 0.941 474 L HN 0.279 nan 8.230 nan 0.000 0.451 475 F N -0.431 119.508 119.950 -0.017 0.000 2.923 475 F HA 0.155 4.686 4.527 0.006 0.000 0.314 475 F C 1.789 177.647 175.800 0.096 0.000 1.196 475 F CA -0.926 57.094 58.000 0.033 0.000 1.320 475 F CB 0.243 39.264 39.000 0.036 0.000 0.953 475 F HN -0.032 nan 8.300 nan 0.000 0.505 476 R N 1.933 122.530 120.500 0.162 0.000 2.148 476 R HA -0.244 4.099 4.340 0.006 0.000 0.230 476 R C 1.813 178.171 176.300 0.096 0.000 1.120 476 R CA 2.735 58.869 56.100 0.057 0.000 0.902 476 R CB -1.291 28.998 30.300 -0.017 0.000 0.839 476 R HN 0.414 nan 8.270 nan 0.000 0.431 477 D N 0.496 120.922 120.400 0.042 0.000 2.303 477 D HA -0.268 4.376 4.640 0.006 0.000 0.190 477 D C 1.895 178.220 176.300 0.041 0.000 1.011 477 D CA 2.337 56.347 54.000 0.017 0.000 0.860 477 D CB -1.055 39.728 40.800 -0.028 0.000 0.961 477 D HN 0.241 nan 8.370 nan 0.000 0.453 478 V N 1.122 121.055 119.914 0.033 0.000 2.282 478 V HA -0.291 3.833 4.120 0.006 0.000 0.227 478 V C 2.126 178.274 176.094 0.089 0.000 0.985 478 V CA 2.106 64.414 62.300 0.015 0.000 1.002 478 V CB -1.126 30.676 31.823 -0.036 0.000 0.655 478 V HN 0.155 nan 8.190 nan 0.000 0.484 479 F N 0.645 120.602 119.950 0.011 0.000 2.138 479 F HA -0.464 4.067 4.527 0.006 0.000 0.218 479 F C 2.703 178.501 175.800 -0.003 0.000 1.197 479 F CA 3.275 61.271 58.000 -0.005 0.000 1.861 479 F CB -1.666 37.303 39.000 -0.053 0.000 0.630 479 F HN 0.378 nan 8.300 nan 0.000 0.360 480 S N 0.119 115.942 115.700 0.205 0.000 2.441 480 S HA 0.181 4.655 4.470 0.006 0.000 0.242 480 S C 0.973 175.609 174.600 0.059 0.000 1.018 480 S CA 1.131 59.395 58.200 0.106 0.000 0.988 480 S CB -0.795 62.442 63.200 0.063 0.000 0.778 480 S HN 1.649 nan 8.310 nan 0.000 0.498 481 G N 0.600 109.422 108.800 0.036 0.000 2.306 481 G HA2 0.290 4.253 3.960 0.006 0.000 0.340 481 G HA3 0.290 4.253 3.960 0.006 0.000 0.340 481 G C -0.717 174.176 174.900 -0.012 0.000 1.630 481 G CA -0.688 44.415 45.100 0.004 0.000 0.937 481 G HN 0.902 nan 8.290 nan 0.000 0.693 482 I N -0.394 120.160 120.570 -0.028 0.000 2.529 482 I HA 0.510 4.683 4.170 0.006 0.000 0.284 482 I C 0.388 176.488 176.117 -0.030 0.000 1.082 482 I CA -0.577 60.699 61.300 -0.040 0.000 1.406 482 I CB 1.145 39.115 38.000 -0.051 0.000 1.405 482 I HN 0.445 nan 8.210 nan 0.000 0.548 483 D N 7.810 128.190 120.400 -0.034 0.000 3.167 483 D HA -0.072 4.571 4.640 0.006 0.000 0.232 483 D C -1.466 174.821 176.300 -0.022 0.000 1.231 483 D CA -0.741 53.242 54.000 -0.028 0.000 0.845 483 D CB 0.632 41.412 40.800 -0.034 0.000 1.157 483 D HN 0.433 nan 8.370 nan 0.000 0.576 484 P HA -0.063 nan 4.420 nan 0.000 0.231 484 P C -0.485 176.808 177.300 -0.013 0.000 1.154 484 P CA 0.791 63.884 63.100 -0.012 0.000 0.762 484 P CB 0.266 31.962 31.700 -0.007 0.000 0.790 485 E N -0.321 119.869 120.200 -0.016 0.000 2.642 485 E HA 0.314 4.668 4.350 0.006 0.000 0.284 485 E C -1.474 175.114 176.600 -0.020 0.000 1.039 485 E CA -0.212 56.178 56.400 -0.016 0.000 0.777 485 E CB -0.037 29.654 29.700 -0.014 0.000 1.473 485 E HN -0.154 nan 8.360 nan 0.000 0.388 486 L N 1.455 122.666 121.223 -0.020 0.000 2.301 486 L HA 0.598 4.941 4.340 0.006 0.000 0.264 486 L C 0.782 177.641 176.870 -0.018 0.000 1.016 486 L CA -0.569 54.257 54.840 -0.022 0.000 0.821 486 L CB 1.850 43.893 42.059 -0.027 0.000 1.346 486 L HN 0.454 nan 8.230 nan 0.000 0.429 487 S N 1.410 117.099 115.700 -0.018 0.000 2.790 487 S HA 0.306 4.779 4.470 0.006 0.000 0.162 487 S C -1.326 173.266 174.600 -0.014 0.000 0.792 487 S CA 0.083 58.274 58.200 -0.015 0.000 1.089 487 S CB -0.111 63.080 63.200 -0.014 0.000 0.666 487 S HN 0.706 nan 8.310 nan 0.000 0.521 488 P HA 0.172 nan 4.420 nan 0.000 0.208 488 P C -0.190 177.103 177.300 -0.013 0.000 1.131 488 P CA 0.493 63.586 63.100 -0.012 0.000 0.906 488 P CB -0.545 31.148 31.700 -0.010 0.000 0.764 489 E N 0.000 120.191 120.200 -0.014 0.000 2.725 489 E HA 0.000 4.354 4.350 0.006 0.000 0.291 489 E CA 0.000 56.390 56.400 -0.016 0.000 0.976 489 E CB 0.000 29.687 29.700 -0.021 0.000 0.812 489 E HN 0.000 nan 8.360 nan 0.000 0.440