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 3oxo_1_C DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRXXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQLE 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.696 174.700 -0.007 0.000 1.109 1 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 1 T CB 0.000 68.787 68.868 -0.135 0.000 0.612 2 K N 3.027 123.439 120.400 0.021 0.000 2.276 2 K HA 0.579 4.831 4.320 -0.112 0.000 0.285 2 K C -0.886 175.716 176.600 0.002 0.000 1.062 2 K CA -0.531 55.787 56.287 0.052 0.000 0.918 2 K CB 0.414 32.951 32.500 0.063 0.000 1.055 2 K HN 0.366 nan 8.250 nan 0.000 0.477 3 F N 3.694 123.632 119.950 -0.021 0.000 2.384 3 F HA 0.282 4.743 4.527 -0.110 0.000 0.338 3 F C -0.263 175.473 175.800 -0.107 0.000 1.103 3 F CA -0.037 57.985 58.000 0.037 0.000 1.157 3 F CB 0.626 39.635 39.000 0.014 0.000 1.167 3 F HN 0.411 nan 8.300 nan 0.000 0.529 4 Y N -0.326 120.082 120.300 0.180 0.000 2.485 4 Y HA 0.309 4.792 4.550 -0.112 0.000 0.345 4 Y C 1.059 177.029 175.900 0.117 0.000 0.998 4 Y CA -0.935 57.237 58.100 0.120 0.000 1.059 4 Y CB 1.977 40.481 38.460 0.074 0.000 1.234 4 Y HN 0.607 nan 8.280 nan 0.000 0.461 5 T N -3.514 111.175 114.554 0.225 0.000 3.015 5 T HA 0.105 4.388 4.350 -0.112 0.000 0.250 5 T C -0.110 174.670 174.700 0.134 0.000 1.057 5 T CA 0.304 62.494 62.100 0.151 0.000 1.066 5 T CB 0.153 69.078 68.868 0.094 0.000 0.959 5 T HN 0.438 nan 8.240 nan 0.000 0.488 6 D N 0.364 120.862 120.400 0.163 0.000 2.492 6 D HA 0.687 5.260 4.640 -0.112 0.000 0.248 6 D C 0.967 177.319 176.300 0.087 0.000 1.101 6 D CA -0.412 53.653 54.000 0.108 0.000 0.840 6 D CB 1.750 42.608 40.800 0.095 0.000 1.209 6 D HN 0.053 nan 8.370 nan 0.000 0.524 7 A N 2.979 125.816 122.820 0.028 0.000 1.930 7 A HA -0.063 4.189 4.320 -0.112 0.000 0.217 7 A C 2.048 179.597 177.584 -0.058 0.000 1.175 7 A CA 1.220 53.242 52.037 -0.026 0.000 0.627 7 A CB -0.468 18.512 19.000 -0.033 0.000 0.815 7 A HN 0.505 nan 8.150 nan 0.000 0.443 8 V N -0.057 119.839 119.914 -0.029 0.000 2.407 8 V HA -0.238 3.815 4.120 -0.112 0.000 0.248 8 V C 2.535 178.610 176.094 -0.031 0.000 1.055 8 V CA 2.347 64.625 62.300 -0.037 0.000 1.049 8 V CB -0.696 31.116 31.823 -0.018 0.000 0.662 8 V HN 0.654 nan 8.190 nan 0.000 0.455 9 E N 0.580 120.791 120.200 0.018 0.000 2.153 9 E HA -0.156 4.127 4.350 -0.112 0.000 0.194 9 E C 2.123 178.707 176.600 -0.028 0.000 0.988 9 E CA 1.383 57.830 56.400 0.079 0.000 0.811 9 E CB -0.415 29.416 29.700 0.219 0.000 0.746 9 E HN 0.559 nan 8.360 nan 0.000 0.466 10 A N -0.259 122.396 122.820 -0.276 0.000 2.066 10 A HA -0.052 4.201 4.320 -0.112 0.000 0.218 10 A C 1.930 179.327 177.584 -0.311 0.000 1.157 10 A CA 1.490 53.108 52.037 -0.699 0.000 0.670 10 A CB -0.113 18.451 19.000 -0.726 0.000 0.804 10 A HN 0.302 nan 8.150 nan 0.000 0.453 11 V N -2.969 116.831 119.914 -0.189 0.000 3.432 11 V HA 0.171 4.224 4.120 -0.112 0.000 0.298 11 V C 1.398 177.378 176.094 -0.190 0.000 1.464 11 V CA 0.604 62.789 62.300 -0.191 0.000 1.046 11 V CB -0.483 31.228 31.823 -0.186 0.000 0.887 11 V HN 0.585 nan 8.190 nan 0.000 0.441 12 K N 2.092 122.427 120.400 -0.108 0.000 2.362 12 K HA -0.107 4.146 4.320 -0.112 0.000 0.200 12 K C 1.134 177.686 176.600 -0.079 0.000 1.046 12 K CA 1.682 57.922 56.287 -0.078 0.000 0.952 12 K CB -0.323 32.162 32.500 -0.026 0.000 0.753 12 K HN 0.625 nan 8.250 nan 0.000 0.466 13 D N 1.176 121.531 120.400 -0.076 0.000 2.342 13 D HA 0.032 4.605 4.640 -0.112 0.000 0.221 13 D C 0.326 176.563 176.300 -0.105 0.000 1.101 13 D CA -0.341 53.647 54.000 -0.020 0.000 0.837 13 D CB -0.145 40.713 40.800 0.097 0.000 0.938 13 D HN 0.249 nan 8.370 nan 0.000 0.508 14 I N 2.922 123.269 120.570 -0.371 0.000 2.517 14 I HA 0.103 4.206 4.170 -0.112 0.000 0.285 14 I C -1.837 174.157 176.117 -0.205 0.000 1.106 14 I CA -1.454 59.508 61.300 -0.563 0.000 1.402 14 I CB 0.629 38.171 38.000 -0.764 0.000 1.399 14 I HN -0.177 nan 8.210 nan 0.000 0.535 15 P HA 0.139 nan 4.420 nan 0.000 0.276 15 P C -0.918 176.364 177.300 -0.029 0.000 1.244 15 P CA -0.595 62.495 63.100 -0.018 0.000 0.801 15 P CB 0.554 32.279 31.700 0.042 0.000 1.006 16 N N 0.358 119.045 118.700 -0.021 0.000 2.454 16 N HA 0.177 4.849 4.740 -0.112 0.000 0.254 16 N C 1.599 177.107 175.510 -0.003 0.000 1.228 16 N CA 1.422 54.461 53.050 -0.018 0.000 0.900 16 N CB -0.398 38.081 38.487 -0.013 0.000 1.089 16 N HN 0.807 nan 8.380 nan 0.000 0.449 17 G N -0.629 108.169 108.800 -0.004 0.000 2.179 17 G HA2 -0.251 3.642 3.960 -0.112 0.000 0.260 17 G HA3 -0.251 3.642 3.960 -0.112 0.000 0.260 17 G C 0.336 175.248 174.900 0.020 0.000 0.977 17 G CA 0.388 45.493 45.100 0.008 0.000 0.641 17 G HN 0.937 nan 8.290 nan 0.000 0.533 18 A N -0.107 122.728 122.820 0.024 0.000 2.425 18 A HA 0.612 4.865 4.320 -0.112 0.000 0.242 18 A C 0.749 178.364 177.584 0.052 0.000 1.077 18 A CA 1.265 53.338 52.037 0.060 0.000 0.781 18 A CB 0.328 19.375 19.000 0.079 0.000 1.020 18 A HN 0.784 nan 8.150 nan 0.000 0.494 19 T N 1.724 116.324 114.554 0.076 0.000 2.744 19 T HA 0.481 4.764 4.350 -0.112 0.000 0.291 19 T C -0.444 174.309 174.700 0.089 0.000 0.957 19 T CA -0.140 61.995 62.100 0.059 0.000 1.002 19 T CB 0.508 69.406 68.868 0.050 0.000 0.919 19 T HN 0.423 nan 8.240 nan 0.000 0.468 20 V N 5.744 125.692 119.914 0.056 0.000 2.444 20 V HA 0.393 4.446 4.120 -0.112 0.000 0.294 20 V C 0.026 176.141 176.094 0.035 0.000 1.022 20 V CA -0.977 61.365 62.300 0.070 0.000 0.850 20 V CB 1.422 33.261 31.823 0.027 0.000 0.992 20 V HN 0.755 nan 8.190 nan 0.000 0.426 21 L N 5.199 126.453 121.223 0.053 0.000 2.349 21 L HA 0.582 4.855 4.340 -0.112 0.000 0.275 21 L C -0.492 176.392 176.870 0.023 0.000 1.115 21 L CA -0.461 54.397 54.840 0.031 0.000 0.820 21 L CB 1.155 43.243 42.059 0.049 0.000 1.135 21 L HN 0.357 nan 8.230 nan 0.000 0.445 22 V N 1.796 121.706 119.914 -0.007 0.000 2.483 22 V HA 0.439 4.492 4.120 -0.112 0.000 0.297 22 V C 0.680 176.775 176.094 0.002 0.000 1.027 22 V CA -0.706 61.587 62.300 -0.012 0.000 0.855 22 V CB 1.431 33.221 31.823 -0.054 0.000 0.995 22 V HN 0.906 nan 8.190 nan 0.000 0.424 23 G N 2.365 111.196 108.800 0.050 0.000 2.614 23 G HA2 0.565 4.458 3.960 -0.112 0.000 0.239 23 G HA3 0.565 4.458 3.960 -0.112 0.000 0.239 23 G C 0.282 175.232 174.900 0.083 0.000 1.240 23 G CA 0.495 45.654 45.100 0.099 0.000 0.842 23 G HN 1.671 nan 8.290 nan 0.000 0.584 24 G N -1.058 107.829 108.800 0.145 0.000 2.435 24 G HA2 0.356 4.248 3.960 -0.112 0.000 0.603 24 G HA3 0.356 4.248 3.960 -0.112 0.000 0.603 24 G C -1.288 173.747 174.900 0.226 0.000 1.496 24 G CA -0.815 44.377 45.100 0.153 0.000 0.896 24 G HN 1.018 nan 8.290 nan 0.000 0.657 25 F N 3.073 123.088 119.950 0.108 0.000 2.403 25 F HA 0.562 5.023 4.527 -0.111 0.000 0.355 25 F C 1.191 177.050 175.800 0.098 0.000 1.119 25 F CA 1.354 59.428 58.000 0.124 0.000 1.007 25 F CB 1.102 40.189 39.000 0.144 0.000 1.194 25 F HN 1.931 nan 8.300 nan 0.000 0.443 26 G N 5.089 113.724 108.800 -0.275 0.000 2.634 26 G HA2 -0.351 3.542 3.960 -0.112 0.000 0.318 26 G HA3 -0.351 3.542 3.960 -0.112 0.000 0.318 26 G C 0.581 175.493 174.900 0.020 0.000 1.207 26 G CA 0.649 45.679 45.100 -0.118 0.000 0.987 26 G HN 0.687 nan 8.290 nan 0.000 0.547 27 L N 0.384 121.659 121.223 0.086 0.000 2.728 27 L HA 0.332 4.605 4.340 -0.112 0.000 0.238 27 L C 1.174 178.133 176.870 0.148 0.000 1.143 27 L CA -0.315 54.608 54.840 0.138 0.000 0.937 27 L CB 0.779 42.949 42.059 0.186 0.000 1.225 27 L HN 0.523 nan 8.230 nan 0.000 0.507 28 C N 1.603 120.996 119.300 0.155 0.000 2.303 28 C HA 0.566 4.959 4.460 -0.112 0.000 0.341 28 C C 1.589 176.667 174.990 0.147 0.000 1.244 28 C CA 0.210 59.316 59.018 0.148 0.000 1.765 28 C CB -0.938 26.908 27.740 0.176 0.000 2.379 28 C HN 0.826 nan 8.230 nan 0.000 0.530 29 G N 6.123 114.993 108.800 0.117 0.000 2.256 29 G HA2 -0.205 3.688 3.960 -0.112 0.000 0.272 29 G HA3 -0.205 3.688 3.960 -0.112 0.000 0.272 29 G C -0.186 174.797 174.900 0.138 0.000 1.076 29 G CA 0.490 45.667 45.100 0.129 0.000 0.882 29 G HN 1.390 nan 8.290 nan 0.000 0.497 30 I N -1.932 118.713 120.570 0.125 0.000 2.428 30 I HA 0.655 4.758 4.170 -0.112 0.000 0.296 30 I C -1.914 174.262 176.117 0.097 0.000 0.985 30 I CA -3.183 58.167 61.300 0.083 0.000 1.260 30 I CB 1.762 39.778 38.000 0.027 0.000 1.389 30 I HN -0.076 nan 8.210 nan 0.000 0.484 31 P HA 0.097 nan 4.420 nan 0.000 0.238 31 P C 0.214 177.514 177.300 -0.000 0.000 1.794 31 P CA -0.126 63.018 63.100 0.073 0.000 1.088 31 P CB 0.125 31.856 31.700 0.052 0.000 1.923 32 E N 1.794 121.997 120.200 0.006 0.000 2.204 32 E HA -0.177 4.106 4.350 -0.112 0.000 0.194 32 E C 0.967 177.494 176.600 -0.123 0.000 0.989 32 E CA 0.743 57.067 56.400 -0.127 0.000 0.824 32 E CB -0.440 29.207 29.700 -0.088 0.000 0.756 32 E HN 0.288 nan 8.360 nan 0.000 0.477 33 N N 0.896 119.538 118.700 -0.096 0.000 2.250 33 N HA -0.029 4.643 4.740 -0.112 0.000 0.181 33 N C 2.080 177.544 175.510 -0.078 0.000 1.017 33 N CA 0.895 53.879 53.050 -0.111 0.000 0.866 33 N CB 0.023 38.422 38.487 -0.147 0.000 0.985 33 N HN 0.254 nan 8.380 nan 0.000 0.429 34 L N 0.986 122.175 121.223 -0.056 0.000 2.072 34 L HA -0.021 4.252 4.340 -0.112 0.000 0.205 34 L C 2.275 179.095 176.870 -0.082 0.000 1.079 34 L CA 0.683 55.487 54.840 -0.060 0.000 0.752 34 L CB -0.327 41.710 42.059 -0.036 0.000 0.906 34 L HN 0.052 nan 8.230 nan 0.000 0.436 35 I N 0.100 120.612 120.570 -0.097 0.000 2.226 35 I HA -0.224 3.879 4.170 -0.112 0.000 0.245 35 I C 2.615 178.663 176.117 -0.116 0.000 1.100 35 I CA 1.491 62.718 61.300 -0.122 0.000 1.374 35 I CB -0.791 37.107 38.000 -0.170 0.000 1.057 35 I HN 0.279 nan 8.210 nan 0.000 0.413 36 G N 0.407 109.139 108.800 -0.113 0.000 2.418 36 G HA2 -0.239 3.654 3.960 -0.112 0.000 0.217 36 G HA3 -0.239 3.654 3.960 -0.112 0.000 0.217 36 G C 1.840 176.698 174.900 -0.069 0.000 1.158 36 G CA 0.790 45.838 45.100 -0.086 0.000 0.771 36 G HN 0.498 nan 8.290 nan 0.000 0.545 37 A N 0.341 123.117 122.820 -0.072 0.000 1.969 37 A HA 0.179 4.432 4.320 -0.112 0.000 0.218 37 A C 2.358 179.897 177.584 -0.076 0.000 1.169 37 A CA 0.923 52.919 52.037 -0.067 0.000 0.635 37 A CB -0.283 18.675 19.000 -0.071 0.000 0.810 37 A HN 0.362 nan 8.150 nan 0.000 0.445 38 L N -0.700 120.470 121.223 -0.088 0.000 2.217 38 L HA -0.097 4.176 4.340 -0.112 0.000 0.211 38 L C 2.341 179.165 176.870 -0.077 0.000 1.107 38 L CA 0.531 55.315 54.840 -0.094 0.000 0.783 38 L CB -0.400 41.596 42.059 -0.106 0.000 0.919 38 L HN 0.397 nan 8.230 nan 0.000 0.442 39 L N -0.374 120.808 121.223 -0.069 0.000 2.056 39 L HA -0.217 4.055 4.340 -0.112 0.000 0.207 39 L C 2.574 179.417 176.870 -0.044 0.000 1.078 39 L CA 1.406 56.214 54.840 -0.054 0.000 0.749 39 L CB -0.403 41.627 42.059 -0.047 0.000 0.901 39 L HN 0.205 nan 8.230 nan 0.000 0.433 40 K N -0.396 119.978 120.400 -0.043 0.000 2.057 40 K HA -0.133 4.120 4.320 -0.112 0.000 0.206 40 K C 2.195 178.773 176.600 -0.037 0.000 1.050 40 K CA 1.877 58.144 56.287 -0.034 0.000 0.935 40 K CB -0.382 32.100 32.500 -0.031 0.000 0.715 40 K HN 0.448 nan 8.250 nan 0.000 0.439 41 T N -2.005 112.519 114.554 -0.049 0.000 2.821 41 T HA -0.040 4.243 4.350 -0.112 0.000 0.267 41 T C 1.619 176.290 174.700 -0.048 0.000 1.046 41 T CA 1.181 63.250 62.100 -0.052 0.000 1.139 41 T CB -0.465 68.359 68.868 -0.074 0.000 0.871 41 T HN 0.397 nan 8.240 nan 0.000 0.454 42 G N 0.690 109.459 108.800 -0.052 0.000 2.147 42 G HA2 -0.215 3.677 3.960 -0.112 0.000 0.244 42 G HA3 -0.215 3.677 3.960 -0.112 0.000 0.244 42 G C 0.211 175.081 174.900 -0.049 0.000 1.005 42 G CA 0.149 45.222 45.100 -0.045 0.000 0.713 42 G HN 1.016 nan 8.290 nan 0.000 0.515 43 V N 0.708 120.583 119.914 -0.065 0.000 2.788 43 V HA 0.518 4.571 4.120 -0.112 0.000 0.307 43 V C 0.755 176.813 176.094 -0.058 0.000 1.069 43 V CA 1.251 63.509 62.300 -0.069 0.000 1.173 43 V CB 0.702 32.463 31.823 -0.104 0.000 0.925 43 V HN 0.762 nan 8.190 nan 0.000 0.492 44 K N 3.311 123.683 120.400 -0.045 0.000 2.439 44 K HA 0.636 4.889 4.320 -0.112 0.000 0.260 44 K C -0.062 176.522 176.600 -0.027 0.000 1.032 44 K CA -0.691 55.575 56.287 -0.034 0.000 0.882 44 K CB 1.417 33.903 32.500 -0.024 0.000 1.420 44 K HN 0.493 nan 8.250 nan 0.000 0.455 45 E N 0.260 120.448 120.200 -0.019 0.000 2.791 45 E HA -0.193 4.089 4.350 -0.112 0.000 0.271 45 E C -0.675 175.917 176.600 -0.013 0.000 1.044 45 E CA 0.388 56.782 56.400 -0.011 0.000 0.814 45 E CB -1.459 28.239 29.700 -0.004 0.000 1.400 45 E HN 0.383 nan 8.360 nan 0.000 0.423 46 L N 0.756 121.964 121.223 -0.025 0.000 2.456 46 L HA 0.098 4.371 4.340 -0.112 0.000 0.272 46 L C 0.856 177.713 176.870 -0.021 0.000 1.189 46 L CA 0.518 55.342 54.840 -0.027 0.000 0.846 46 L CB 0.477 42.508 42.059 -0.046 0.000 1.111 46 L HN -0.066 nan 8.230 nan 0.000 0.475 47 T N 2.744 117.291 114.554 -0.011 0.000 2.811 47 T HA 0.427 4.710 4.350 -0.112 0.000 0.309 47 T C 0.188 174.874 174.700 -0.023 0.000 1.005 47 T CA -0.456 61.636 62.100 -0.013 0.000 0.955 47 T CB 0.794 69.662 68.868 0.001 0.000 0.970 47 T HN 0.645 nan 8.240 nan 0.000 0.496 48 A N 4.049 126.839 122.820 -0.049 0.000 2.260 48 A HA 0.568 4.821 4.320 -0.112 0.000 0.312 48 A C 0.182 177.722 177.584 -0.074 0.000 1.321 48 A CA -0.599 51.398 52.037 -0.067 0.000 0.928 48 A CB 0.195 19.132 19.000 -0.105 0.000 1.158 48 A HN 0.666 nan 8.150 nan 0.000 0.542 49 V N 2.901 122.784 119.914 -0.052 0.000 2.389 49 V HA 0.549 4.602 4.120 -0.112 0.000 0.264 49 V C 0.521 176.556 176.094 -0.098 0.000 1.049 49 V CA 0.218 62.481 62.300 -0.060 0.000 0.932 49 V CB 0.487 32.298 31.823 -0.021 0.000 1.011 49 V HN 0.885 nan 8.190 nan 0.000 0.475 50 S N 3.293 118.899 115.700 -0.157 0.000 2.535 50 S HA 0.334 4.737 4.470 -0.112 0.000 0.272 50 S C 0.596 175.018 174.600 -0.297 0.000 1.149 50 S CA -0.602 57.468 58.200 -0.216 0.000 0.888 50 S CB 1.748 64.840 63.200 -0.179 0.000 1.110 50 S HN 0.755 nan 8.310 nan 0.000 0.463 51 N N 3.351 121.774 118.700 -0.461 0.000 2.084 51 N HA 0.027 4.700 4.740 -0.112 0.000 0.190 51 N C 0.228 175.623 175.510 -0.192 0.000 1.030 51 N CA 1.772 54.535 53.050 -0.478 0.000 0.849 51 N CB -0.072 38.033 38.487 -0.637 0.000 1.012 51 N HN 0.698 nan 8.380 nan 0.000 0.423 52 N N -2.131 116.468 118.700 -0.169 0.000 2.701 52 N HA 0.578 5.250 4.740 -0.112 0.000 0.290 52 N C -1.105 174.316 175.510 -0.148 0.000 1.338 52 N CA -0.431 52.564 53.050 -0.092 0.000 0.799 52 N CB 1.521 39.951 38.487 -0.095 0.000 1.491 52 N HN 0.076 nan 8.380 nan 0.000 0.540 53 A N 0.128 122.866 122.820 -0.136 0.000 2.577 53 A HA 0.616 4.869 4.320 -0.112 0.000 0.280 53 A C 1.066 178.561 177.584 -0.148 0.000 1.331 53 A CA 0.275 52.134 52.037 -0.296 0.000 0.935 53 A CB -1.297 17.323 19.000 -0.632 0.000 1.082 53 A HN 0.930 nan 8.150 nan 0.000 0.525 54 G N -0.435 108.313 108.800 -0.087 0.000 2.596 54 G HA2 -0.132 3.761 3.960 -0.112 0.000 0.295 54 G HA3 -0.132 3.761 3.960 -0.112 0.000 0.295 54 G C 0.493 175.407 174.900 0.023 0.000 1.240 54 G CA 1.114 46.198 45.100 -0.027 0.000 0.985 54 G HN 1.822 nan 8.290 nan 0.000 0.555 55 V N -3.005 116.948 119.914 0.064 0.000 3.204 55 V HA 0.779 4.832 4.120 -0.112 0.000 0.316 55 V C 1.228 177.365 176.094 0.072 0.000 1.160 55 V CA 0.754 63.100 62.300 0.078 0.000 1.044 55 V CB 1.326 33.209 31.823 0.100 0.000 1.136 55 V HN 0.681 nan 8.190 nan 0.000 0.455 56 D N 0.537 120.979 120.400 0.069 0.000 2.133 56 D HA -0.159 4.414 4.640 -0.112 0.000 0.192 56 D C 1.077 177.416 176.300 0.065 0.000 1.001 56 D CA 2.690 56.727 54.000 0.061 0.000 0.844 56 D CB -0.193 40.639 40.800 0.053 0.000 0.944 56 D HN 0.830 nan 8.370 nan 0.000 0.447 57 N N -1.569 117.188 118.700 0.095 0.000 2.282 57 N HA 0.258 4.930 4.740 -0.112 0.000 0.240 57 N C -1.010 174.653 175.510 0.254 0.000 1.182 57 N CA -0.271 52.851 53.050 0.121 0.000 0.874 57 N CB 0.836 39.377 38.487 0.090 0.000 1.126 57 N HN -0.018 nan 8.380 nan 0.000 0.516 58 F N -0.459 119.486 119.950 -0.009 0.000 2.693 58 F HA 0.588 5.048 4.527 -0.112 0.000 0.309 58 F C 0.792 176.582 175.800 -0.018 0.000 1.129 58 F CA 0.145 58.139 58.000 -0.009 0.000 0.948 58 F CB 0.840 39.841 39.000 0.002 0.000 1.315 58 F HN 0.077 nan 8.300 nan 0.000 0.447 59 G N 2.240 110.684 108.800 -0.594 0.000 2.550 59 G HA2 -0.338 3.555 3.960 -0.112 0.000 0.277 59 G HA3 -0.338 3.555 3.960 -0.112 0.000 0.277 59 G C 0.435 175.185 174.900 -0.250 0.000 1.190 59 G CA 0.325 45.199 45.100 -0.376 0.000 0.971 59 G HN 1.150 nan 8.290 nan 0.000 0.559 60 L N 2.361 123.474 121.223 -0.182 0.000 2.275 60 L HA 0.270 4.543 4.340 -0.112 0.000 0.215 60 L C 3.017 179.782 176.870 -0.175 0.000 1.119 60 L CA 2.873 57.603 54.840 -0.183 0.000 0.790 60 L CB -0.849 41.087 42.059 -0.205 0.000 0.919 60 L HN 0.974 nan 8.230 nan 0.000 0.443 61 G N -0.603 108.114 108.800 -0.137 0.000 2.450 61 G HA2 -0.258 3.635 3.960 -0.112 0.000 0.220 61 G HA3 -0.258 3.635 3.960 -0.112 0.000 0.220 61 G C 1.590 176.451 174.900 -0.064 0.000 1.130 61 G CA 0.994 46.039 45.100 -0.091 0.000 0.760 61 G HN 0.418 nan 8.290 nan 0.000 0.557 62 L N -0.249 120.932 121.223 -0.071 0.000 2.042 62 L HA -0.051 4.222 4.340 -0.112 0.000 0.210 62 L C 2.798 179.629 176.870 -0.064 0.000 1.076 62 L CA 0.741 55.548 54.840 -0.055 0.000 0.749 62 L CB -0.311 41.700 42.059 -0.080 0.000 0.893 62 L HN 0.205 nan 8.230 nan 0.000 0.432 63 L N -0.952 120.216 121.223 -0.091 0.000 2.313 63 L HA -0.139 4.134 4.340 -0.112 0.000 0.214 63 L C 2.330 179.154 176.870 -0.077 0.000 1.119 63 L CA 0.558 55.346 54.840 -0.086 0.000 0.809 63 L CB -0.219 41.777 42.059 -0.105 0.000 0.933 63 L HN 0.279 nan 8.230 nan 0.000 0.449 64 L N -0.866 120.305 121.223 -0.087 0.000 2.156 64 L HA -0.166 4.107 4.340 -0.112 0.000 0.208 64 L C 2.560 179.417 176.870 -0.022 0.000 1.095 64 L CA 0.739 55.541 54.840 -0.063 0.000 0.770 64 L CB -0.234 41.774 42.059 -0.085 0.000 0.914 64 L HN 0.235 nan 8.230 nan 0.000 0.439 65 Q N 0.158 119.946 119.800 -0.020 0.000 2.124 65 Q HA -0.170 4.103 4.340 -0.112 0.000 0.202 65 Q C 2.185 178.182 176.000 -0.006 0.000 0.977 65 Q CA 1.895 57.696 55.803 -0.003 0.000 0.850 65 Q CB 0.009 28.748 28.738 0.001 0.000 0.901 65 Q HN 0.513 nan 8.270 nan 0.000 0.429 66 S N -1.123 114.566 115.700 -0.017 0.000 2.575 66 S HA 0.154 4.557 4.470 -0.112 0.000 0.215 66 S C 0.184 174.773 174.600 -0.017 0.000 0.966 66 S CA 0.043 58.233 58.200 -0.017 0.000 0.911 66 S CB 0.062 63.246 63.200 -0.026 0.000 0.780 66 S HN 0.336 nan 8.310 nan 0.000 0.514 67 K N 0.500 120.891 120.400 -0.015 0.000 3.069 67 K HA -0.233 4.020 4.320 -0.112 0.000 0.267 67 K C 0.595 177.184 176.600 -0.018 0.000 1.082 67 K CA 0.955 57.236 56.287 -0.010 0.000 0.782 67 K CB -1.652 30.849 32.500 0.002 0.000 1.230 67 K HN 0.592 nan 8.250 nan 0.000 0.488 68 Q N -0.207 119.574 119.800 -0.033 0.000 2.424 68 Q HA 0.136 4.408 4.340 -0.112 0.000 0.204 68 Q C 0.359 176.334 176.000 -0.043 0.000 0.933 68 Q CA 0.483 56.263 55.803 -0.039 0.000 0.929 68 Q CB 0.346 29.052 28.738 -0.052 0.000 1.037 68 Q HN 0.437 nan 8.270 nan 0.000 0.511 69 I N 0.868 121.411 120.570 -0.045 0.000 2.354 69 I HA 0.101 4.203 4.170 -0.112 0.000 0.292 69 I C 0.888 176.992 176.117 -0.022 0.000 0.989 69 I CA -0.239 61.032 61.300 -0.049 0.000 1.188 69 I CB 1.541 39.489 38.000 -0.086 0.000 1.342 69 I HN -0.036 nan 8.210 nan 0.000 0.457 70 K N 5.876 126.268 120.400 -0.013 0.000 2.141 70 K HA 0.163 4.416 4.320 -0.112 0.000 0.202 70 K C 0.804 177.416 176.600 0.019 0.000 1.045 70 K CA 0.489 56.781 56.287 0.009 0.000 0.971 70 K CB 0.528 33.032 32.500 0.008 0.000 0.795 70 K HN 0.529 nan 8.250 nan 0.000 0.459 71 R N 0.569 121.071 120.500 0.004 0.000 2.686 71 R HA 0.285 4.557 4.340 -0.112 0.000 0.286 71 R C -1.186 175.101 176.300 -0.022 0.000 0.969 71 R CA -0.617 55.488 56.100 0.008 0.000 0.898 71 R CB 1.324 31.630 30.300 0.010 0.000 1.183 71 R HN 0.039 nan 8.270 nan 0.000 0.456 72 M N 5.472 125.061 119.600 -0.018 0.000 2.294 72 M HA 0.402 4.815 4.480 -0.112 0.000 0.335 72 M C -0.718 175.564 176.300 -0.030 0.000 1.079 72 M CA -0.549 54.716 55.300 -0.059 0.000 0.982 72 M CB 1.629 34.177 32.600 -0.088 0.000 1.651 72 M HN 0.548 nan 8.290 nan 0.000 0.437 73 I N 2.328 122.869 120.570 -0.048 0.000 2.359 73 I HA 0.405 4.508 4.170 -0.112 0.000 0.284 73 I C -0.204 175.878 176.117 -0.058 0.000 1.018 73 I CA -0.080 61.197 61.300 -0.038 0.000 1.173 73 I CB 1.122 39.105 38.000 -0.028 0.000 1.326 73 I HN 0.593 nan 8.210 nan 0.000 0.462 74 S N 2.082 117.760 115.700 -0.037 0.000 2.596 74 S HA 0.305 4.707 4.470 -0.112 0.000 0.270 74 S C 0.456 175.050 174.600 -0.009 0.000 1.155 74 S CA -0.542 57.634 58.200 -0.040 0.000 0.827 74 S CB 2.072 65.284 63.200 0.019 0.000 1.130 74 S HN 0.702 nan 8.310 nan 0.000 0.467 75 S N -0.046 115.662 115.700 0.013 0.000 2.527 75 S HA 0.288 4.691 4.470 -0.112 0.000 0.227 75 S C -0.198 174.509 174.600 0.178 0.000 1.059 75 S CA 0.095 58.334 58.200 0.064 0.000 0.919 75 S CB 0.006 63.255 63.200 0.082 0.000 0.805 75 S HN 0.711 nan 8.310 nan 0.000 0.500 76 Y N 0.478 120.789 120.300 0.019 0.000 2.401 76 Y HA 0.539 5.022 4.550 -0.112 0.000 0.330 76 Y C 0.335 176.277 175.900 0.071 0.000 1.071 76 Y CA -1.153 56.971 58.100 0.039 0.000 1.049 76 Y CB 1.556 40.035 38.460 0.031 0.000 1.239 76 Y HN -0.135 nan 8.280 nan 0.000 0.437 77 V N 4.887 124.519 119.914 -0.470 0.000 2.302 77 V HA 0.137 4.190 4.120 -0.112 0.000 0.243 77 V C 1.560 177.428 176.094 -0.378 0.000 1.036 77 V CA 1.958 64.089 62.300 -0.283 0.000 1.020 77 V CB -1.127 30.391 31.823 -0.507 0.000 0.657 77 V HN 1.262 nan 8.190 nan 0.000 0.453 78 G N 0.757 109.004 108.800 -0.920 0.000 2.527 78 G HA2 -0.247 3.645 3.960 -0.112 0.000 0.268 78 G HA3 -0.247 3.645 3.960 -0.112 0.000 0.268 78 G C -0.087 174.731 174.900 -0.137 0.000 1.175 78 G CA 0.185 44.990 45.100 -0.492 0.000 0.962 78 G HN 0.427 nan 8.290 nan 0.000 0.560 79 E N 2.076 122.275 120.200 -0.003 0.000 2.341 79 E HA 0.272 4.555 4.350 -0.112 0.000 0.279 79 E C 0.142 176.766 176.600 0.039 0.000 1.395 79 E CA -0.297 56.118 56.400 0.026 0.000 1.648 79 E CB -0.042 29.689 29.700 0.051 0.000 1.524 79 E HN 0.401 nan 8.360 nan 0.000 0.462 80 N N 0.744 119.472 118.700 0.046 0.000 2.623 80 N HA 0.223 4.896 4.740 -0.112 0.000 0.256 80 N C 0.402 175.966 175.510 0.090 0.000 1.045 80 N CA -0.139 52.967 53.050 0.094 0.000 0.863 80 N CB 1.292 39.882 38.487 0.171 0.000 1.182 80 N HN 0.083 nan 8.380 nan 0.000 0.523 81 A N 2.421 125.276 122.820 0.058 0.000 1.933 81 A HA -0.156 4.097 4.320 -0.112 0.000 0.218 81 A C 1.842 179.465 177.584 0.066 0.000 1.175 81 A CA 1.532 53.594 52.037 0.042 0.000 0.628 81 A CB -0.264 18.752 19.000 0.027 0.000 0.814 81 A HN 0.662 nan 8.150 nan 0.000 0.444 82 E N -0.449 119.804 120.200 0.088 0.000 2.110 82 E HA -0.171 4.112 4.350 -0.112 0.000 0.193 82 E C 1.685 178.394 176.600 0.181 0.000 0.988 82 E CA 1.418 57.879 56.400 0.102 0.000 0.804 82 E CB -0.503 29.245 29.700 0.080 0.000 0.745 82 E HN 0.657 nan 8.360 nan 0.000 0.458 83 F N 0.584 120.538 119.950 0.007 0.000 2.134 83 F HA -0.168 4.291 4.527 -0.113 0.000 0.299 83 F C 2.328 178.165 175.800 0.061 0.000 1.097 83 F CA 1.453 59.460 58.000 0.010 0.000 1.264 83 F CB 0.049 39.029 39.000 -0.034 0.000 1.001 83 F HN 0.127 nan 8.300 nan 0.000 0.479 84 E N 0.483 120.689 120.200 0.009 0.000 2.077 84 E HA -0.268 4.014 4.350 -0.112 0.000 0.193 84 E C 2.402 179.022 176.600 0.034 0.000 0.989 84 E CA 0.971 57.340 56.400 -0.050 0.000 0.800 84 E CB -0.196 29.468 29.700 -0.061 0.000 0.746 84 E HN 0.332 nan 8.360 nan 0.000 0.452 85 R N 0.299 120.829 120.500 0.049 0.000 2.070 85 R HA -0.193 4.079 4.340 -0.112 0.000 0.232 85 R C 2.414 178.754 176.300 0.066 0.000 1.138 85 R CA 2.055 58.176 56.100 0.035 0.000 0.936 85 R CB -0.161 30.161 30.300 0.036 0.000 0.839 85 R HN 0.272 nan 8.270 nan 0.000 0.429 86 Q N -0.945 118.931 119.800 0.127 0.000 2.135 86 Q HA -0.238 4.035 4.340 -0.112 0.000 0.204 86 Q C 1.921 178.047 176.000 0.210 0.000 0.981 86 Q CA 1.801 57.696 55.803 0.153 0.000 0.856 86 Q CB -0.259 28.588 28.738 0.182 0.000 0.902 86 Q HN 0.414 nan 8.270 nan 0.000 0.425 87 Y N 1.099 121.454 120.300 0.090 0.000 2.133 87 Y HA -0.164 4.320 4.550 -0.110 0.000 0.287 87 Y C 1.767 177.756 175.900 0.147 0.000 1.134 87 Y CA 1.255 59.415 58.100 0.099 0.000 1.133 87 Y CB -0.386 38.058 38.460 -0.027 0.000 0.987 87 Y HN -0.001 nan 8.280 nan 0.000 0.502 88 L N -0.261 120.895 121.223 -0.110 0.000 2.141 88 L HA -0.144 4.128 4.340 -0.112 0.000 0.209 88 L C 2.622 179.361 176.870 -0.219 0.000 1.094 88 L CA 1.071 55.712 54.840 -0.332 0.000 0.763 88 L CB -0.811 41.078 42.059 -0.285 0.000 0.908 88 L HN 0.304 nan 8.230 nan 0.000 0.437 89 A N -0.505 122.274 122.820 -0.068 0.000 2.119 89 A HA 0.152 4.405 4.320 -0.112 0.000 0.217 89 A C 1.818 179.409 177.584 0.011 0.000 1.153 89 A CA 1.036 53.053 52.037 -0.033 0.000 0.692 89 A CB -0.442 18.558 19.000 0.001 0.000 0.799 89 A HN 0.532 nan 8.150 nan 0.000 0.458 90 G N -1.125 107.715 108.800 0.066 0.000 2.141 90 G HA2 -0.234 3.659 3.960 -0.112 0.000 0.231 90 G HA3 -0.234 3.659 3.960 -0.112 0.000 0.231 90 G C 0.437 175.393 174.900 0.095 0.000 0.984 90 G CA 0.598 45.760 45.100 0.103 0.000 0.660 90 G HN 0.565 nan 8.290 nan 0.000 0.525 91 E N -1.331 118.930 120.200 0.101 0.000 2.276 91 E HA 0.327 4.610 4.350 -0.112 0.000 0.193 91 E C 0.686 177.353 176.600 0.112 0.000 0.983 91 E CA 0.326 56.779 56.400 0.089 0.000 0.861 91 E CB 0.555 30.301 29.700 0.076 0.000 0.817 91 E HN 0.397 nan 8.360 nan 0.000 0.485 92 L N 1.398 122.724 121.223 0.172 0.000 2.362 92 L HA 0.303 4.575 4.340 -0.112 0.000 0.275 92 L C -1.045 175.968 176.870 0.238 0.000 0.998 92 L CA -0.565 54.390 54.840 0.192 0.000 0.820 92 L CB 1.834 44.041 42.059 0.248 0.000 1.270 92 L HN -0.204 nan 8.230 nan 0.000 0.415 93 E N 3.283 123.577 120.200 0.157 0.000 2.301 93 E HA 0.572 4.855 4.350 -0.112 0.000 0.275 93 E C -1.282 175.378 176.600 0.099 0.000 1.030 93 E CA -0.515 55.967 56.400 0.137 0.000 0.852 93 E CB 1.875 31.619 29.700 0.074 0.000 1.060 93 E HN 0.401 nan 8.360 nan 0.000 0.401 94 V N 3.153 123.096 119.914 0.047 0.000 2.532 94 V HA 0.101 4.153 4.120 -0.112 0.000 0.294 94 V C -0.752 175.296 176.094 -0.078 0.000 1.036 94 V CA -0.727 61.514 62.300 -0.097 0.000 0.876 94 V CB 1.664 33.172 31.823 -0.526 0.000 1.012 94 V HN 0.666 nan 8.190 nan 0.000 0.432 95 E N 5.023 125.201 120.200 -0.036 0.000 1.963 95 E HA 0.370 4.652 4.350 -0.112 0.000 0.274 95 E C -0.684 175.897 176.600 -0.031 0.000 1.061 95 E CA -0.352 56.035 56.400 -0.022 0.000 0.847 95 E CB 1.109 30.801 29.700 -0.013 0.000 1.083 95 E HN 0.537 nan 8.360 nan 0.000 0.402 96 L N 3.530 124.736 121.223 -0.027 0.000 2.433 96 L HA 0.121 4.394 4.340 -0.112 0.000 0.275 96 L C 0.110 176.950 176.870 -0.050 0.000 1.128 96 L CA 0.341 55.169 54.840 -0.020 0.000 0.875 96 L CB 0.192 42.280 42.059 0.048 0.000 1.171 96 L HN 0.385 nan 8.230 nan 0.000 0.463 97 T N 4.030 118.550 114.554 -0.057 0.000 2.848 97 T HA 0.362 4.645 4.350 -0.112 0.000 0.285 97 T C -2.521 172.125 174.700 -0.091 0.000 0.995 97 T CA -1.659 60.399 62.100 -0.070 0.000 0.970 97 T CB 1.875 70.722 68.868 -0.035 0.000 0.976 97 T HN 0.208 nan 8.240 nan 0.000 0.441 98 P HA 0.050 nan 4.420 nan 0.000 0.262 98 P C 0.850 178.057 177.300 -0.154 0.000 1.182 98 P CA 0.136 63.136 63.100 -0.166 0.000 0.761 98 P CB 0.594 32.186 31.700 -0.180 0.000 0.795 99 Q N 3.265 122.967 119.800 -0.164 0.000 2.077 99 Q HA -0.198 4.074 4.340 -0.112 0.000 0.206 99 Q C 2.116 177.903 176.000 -0.354 0.000 0.989 99 Q CA 2.404 58.162 55.803 -0.076 0.000 0.853 99 Q CB -0.810 28.010 28.738 0.137 0.000 0.907 99 Q HN 0.679 nan 8.270 nan 0.000 0.418 100 G N -0.892 107.177 108.800 -1.219 0.000 2.432 100 G HA2 -0.228 3.664 3.960 -0.112 0.000 0.219 100 G HA3 -0.228 3.664 3.960 -0.112 0.000 0.219 100 G C 1.320 176.064 174.900 -0.260 0.000 1.135 100 G CA 1.229 45.665 45.100 -1.106 0.000 0.767 100 G HN 0.372 nan 8.290 nan 0.000 0.550 101 T N 1.011 115.473 114.554 -0.154 0.000 2.777 101 T HA -0.091 4.192 4.350 -0.112 0.000 0.266 101 T C 2.234 177.000 174.700 0.110 0.000 1.040 101 T CA 1.039 63.171 62.100 0.053 0.000 1.141 101 T CB -0.205 68.674 68.868 0.018 0.000 0.868 101 T HN 0.126 nan 8.240 nan 0.000 0.444 102 L N 1.465 122.735 121.223 0.077 0.000 2.042 102 L HA 0.000 4.273 4.340 -0.112 0.000 0.210 102 L C 2.563 179.587 176.870 0.256 0.000 1.076 102 L CA 1.883 56.818 54.840 0.158 0.000 0.749 102 L CB -0.968 41.184 42.059 0.155 0.000 0.893 102 L HN 0.231 nan 8.230 nan 0.000 0.432 103 A N -1.126 121.847 122.820 0.254 0.000 1.898 103 A HA -0.198 4.055 4.320 -0.112 0.000 0.216 103 A C 2.260 179.865 177.584 0.035 0.000 1.181 103 A CA 1.564 53.678 52.037 0.129 0.000 0.620 103 A CB -0.598 18.372 19.000 -0.049 0.000 0.819 103 A HN 0.488 nan 8.150 nan 0.000 0.442 104 E N 0.062 120.273 120.200 0.018 0.000 2.152 104 E HA -0.074 4.209 4.350 -0.112 0.000 0.192 104 E C 2.131 178.691 176.600 -0.066 0.000 0.983 104 E CA 1.069 57.389 56.400 -0.133 0.000 0.818 104 E CB -0.191 29.346 29.700 -0.273 0.000 0.758 104 E HN 0.583 nan 8.360 nan 0.000 0.467 105 R N -0.258 120.365 120.500 0.205 0.000 2.092 105 R HA 0.024 4.297 4.340 -0.112 0.000 0.231 105 R C 2.421 178.802 176.300 0.135 0.000 1.119 105 R CA 1.377 57.646 56.100 0.282 0.000 0.970 105 R CB -0.305 30.138 30.300 0.238 0.000 0.864 105 R HN 0.253 nan 8.270 nan 0.000 0.440 106 I N 0.363 120.996 120.570 0.105 0.000 2.226 106 I HA -0.288 3.815 4.170 -0.112 0.000 0.245 106 I C 2.792 178.921 176.117 0.020 0.000 1.100 106 I CA 1.180 62.525 61.300 0.074 0.000 1.374 106 I CB -0.262 37.806 38.000 0.113 0.000 1.057 106 I HN 0.156 nan 8.210 nan 0.000 0.413 107 R N 1.214 121.702 120.500 -0.020 0.000 2.073 107 R HA -0.207 4.066 4.340 -0.112 0.000 0.234 107 R C 2.414 178.681 176.300 -0.055 0.000 1.134 107 R CA 1.757 57.815 56.100 -0.071 0.000 0.952 107 R CB -0.336 29.890 30.300 -0.123 0.000 0.850 107 R HN 0.354 nan 8.270 nan 0.000 0.433 108 A N 0.301 123.091 122.820 -0.050 0.000 1.917 108 A HA -0.149 4.104 4.320 -0.112 0.000 0.219 108 A C 2.343 179.947 177.584 0.033 0.000 1.182 108 A CA 1.958 53.994 52.037 -0.002 0.000 0.633 108 A CB -1.331 17.734 19.000 0.107 0.000 0.819 108 A HN 0.610 nan 8.150 nan 0.000 0.448 109 G N -1.316 107.510 108.800 0.044 0.000 2.470 109 G HA2 0.112 4.005 3.960 -0.112 0.000 0.220 109 G HA3 0.112 4.005 3.960 -0.112 0.000 0.220 109 G C 1.279 176.198 174.900 0.033 0.000 1.121 109 G CA 1.211 46.337 45.100 0.043 0.000 0.766 109 G HN 0.768 nan 8.290 nan 0.000 0.553 110 G N -0.173 108.637 108.800 0.017 0.000 2.796 110 G HA2 0.334 4.227 3.960 -0.112 0.000 0.210 110 G HA3 0.334 4.227 3.960 -0.112 0.000 0.210 110 G C 1.348 176.275 174.900 0.044 0.000 1.146 110 G CA 0.959 46.073 45.100 0.024 0.000 0.779 110 G HN 0.536 nan 8.290 nan 0.000 0.535 111 A N -0.189 122.644 122.820 0.021 0.000 2.423 111 A HA 0.525 4.778 4.320 -0.112 0.000 0.246 111 A C 1.759 179.358 177.584 0.027 0.000 1.278 111 A CA 0.963 53.014 52.037 0.024 0.000 0.903 111 A CB -0.361 18.633 19.000 -0.010 0.000 0.997 111 A HN 1.399 nan 8.150 nan 0.000 0.510 112 G N -1.166 107.654 108.800 0.034 0.000 2.143 112 G HA2 -0.193 3.700 3.960 -0.112 0.000 0.248 112 G HA3 -0.193 3.700 3.960 -0.112 0.000 0.248 112 G C 0.076 174.995 174.900 0.032 0.000 0.991 112 G CA 0.279 45.398 45.100 0.033 0.000 0.689 112 G HN 0.836 nan 8.290 nan 0.000 0.522 113 V N 1.879 121.815 119.914 0.036 0.000 2.350 113 V HA 0.371 4.423 4.120 -0.112 0.000 0.276 113 V C -0.142 175.997 176.094 0.075 0.000 1.028 113 V CA -0.677 61.654 62.300 0.052 0.000 0.860 113 V CB 1.694 33.544 31.823 0.046 0.000 0.990 113 V HN 0.166 nan 8.190 nan 0.000 0.453 114 P HA 0.151 nan 4.420 nan 0.000 0.221 114 P C 0.221 177.547 177.300 0.043 0.000 1.155 114 P CA 0.790 63.917 63.100 0.047 0.000 0.812 114 P CB 0.854 32.569 31.700 0.026 0.000 0.801 115 A N -0.936 121.916 122.820 0.053 0.000 2.610 115 A HA 0.694 4.947 4.320 -0.112 0.000 0.291 115 A C -1.480 176.137 177.584 0.055 0.000 1.086 115 A CA -0.623 51.394 52.037 -0.034 0.000 0.677 115 A CB 0.680 19.583 19.000 -0.160 0.000 1.278 115 A HN 0.122 nan 8.150 nan 0.000 0.414 116 F N -2.134 117.702 119.950 -0.189 0.000 2.741 116 F HA 0.816 5.321 4.527 -0.038 0.000 0.313 116 F C -1.845 173.791 175.800 -0.273 0.000 1.153 116 F CA -1.337 56.561 58.000 -0.170 0.000 0.931 116 F CB 0.727 39.681 39.000 -0.078 0.000 1.335 116 F HN 0.504 nan 8.300 nan 0.000 0.460 117 Y N 0.091 120.455 120.300 0.107 0.000 2.420 117 Y HA 0.687 5.167 4.550 -0.116 0.000 0.334 117 Y C 0.288 176.320 175.900 0.220 0.000 1.094 117 Y CA -0.588 57.540 58.100 0.047 0.000 1.126 117 Y CB 2.173 40.606 38.460 -0.045 0.000 1.217 117 Y HN 0.895 nan 8.280 nan 0.000 0.462 118 T N -0.363 114.459 114.554 0.448 0.000 2.932 118 T HA 0.259 4.542 4.350 -0.112 0.000 0.318 118 T C 0.385 175.374 174.700 0.482 0.000 1.265 118 T CA -0.187 62.203 62.100 0.483 0.000 1.036 118 T CB 0.877 69.962 68.868 0.362 0.000 1.209 118 T HN 0.657 nan 8.240 nan 0.000 0.484 119 S N 1.521 117.437 115.700 0.361 0.000 2.527 119 S HA 0.114 4.516 4.470 -0.112 0.000 0.222 119 S C 0.855 175.512 174.600 0.095 0.000 0.985 119 S CA 0.044 58.263 58.200 0.031 0.000 0.921 119 S CB -0.418 62.629 63.200 -0.255 0.000 0.772 119 S HN 0.756 nan 8.310 nan 0.000 0.529 120 T N 2.792 117.415 114.554 0.115 0.000 2.831 120 T HA 0.447 4.730 4.350 -0.112 0.000 0.291 120 T C 1.322 176.051 174.700 0.047 0.000 0.981 120 T CA 0.854 62.990 62.100 0.061 0.000 1.174 120 T CB 0.188 69.076 68.868 0.032 0.000 0.929 120 T HN 0.893 nan 8.240 nan 0.000 0.532 121 G N 2.734 111.545 108.800 0.019 0.000 2.175 121 G HA2 -0.271 3.622 3.960 -0.112 0.000 0.244 121 G HA3 -0.271 3.622 3.960 -0.112 0.000 0.244 121 G C 0.006 174.936 174.900 0.050 0.000 0.982 121 G CA -0.118 44.976 45.100 -0.010 0.000 0.641 121 G HN 0.812 nan 8.290 nan 0.000 0.527 122 Y N 1.204 121.499 120.300 -0.009 0.000 2.511 122 Y HA 0.367 4.849 4.550 -0.113 0.000 0.332 122 Y C 1.484 177.380 175.900 -0.006 0.000 1.177 122 Y CA 1.080 59.178 58.100 -0.004 0.000 1.422 122 Y CB 0.838 39.290 38.460 -0.014 0.000 1.271 122 Y HN 1.406 nan 8.280 nan 0.000 0.550 123 G N 3.248 111.541 108.800 -0.845 0.000 2.153 123 G HA2 -0.262 3.631 3.960 -0.112 0.000 0.252 123 G HA3 -0.262 3.631 3.960 -0.112 0.000 0.252 123 G C 0.093 174.872 174.900 -0.202 0.000 0.994 123 G CA 0.629 45.384 45.100 -0.575 0.000 0.698 123 G HN 1.212 nan 8.290 nan 0.000 0.521 124 T N -3.434 111.051 114.554 -0.114 0.000 2.858 124 T HA 0.699 4.982 4.350 -0.112 0.000 0.285 124 T C 1.479 176.207 174.700 0.047 0.000 1.052 124 T CA -0.236 61.883 62.100 0.032 0.000 1.009 124 T CB 1.246 70.158 68.868 0.073 0.000 1.241 124 T HN 0.228 nan 8.240 nan 0.000 0.542 125 L N 0.779 122.097 121.223 0.158 0.000 2.265 125 L HA -0.044 4.228 4.340 -0.112 0.000 0.215 125 L C 2.741 179.659 176.870 0.080 0.000 1.117 125 L CA 0.626 55.550 54.840 0.140 0.000 0.782 125 L CB -0.677 41.533 42.059 0.252 0.000 0.914 125 L HN 0.551 nan 8.230 nan 0.000 0.441 126 V N -0.315 119.623 119.914 0.040 0.000 2.295 126 V HA -0.306 3.746 4.120 -0.112 0.000 0.246 126 V C 2.493 178.588 176.094 0.003 0.000 1.049 126 V CA 2.009 64.304 62.300 -0.007 0.000 1.024 126 V CB -0.525 31.260 31.823 -0.063 0.000 0.648 126 V HN 0.548 nan 8.190 nan 0.000 0.447 127 Q N 0.182 119.984 119.800 0.002 0.000 2.020 127 Q HA -0.200 4.073 4.340 -0.112 0.000 0.198 127 Q C 2.214 178.215 176.000 0.001 0.000 0.974 127 Q CA 1.892 57.704 55.803 0.015 0.000 0.829 127 Q CB -0.100 28.642 28.738 0.007 0.000 0.894 127 Q HN 0.735 nan 8.270 nan 0.000 0.433 128 E N -0.167 120.019 120.200 -0.022 0.000 2.110 128 E HA 0.017 4.300 4.350 -0.112 0.000 0.193 128 E C 0.783 177.384 176.600 0.002 0.000 0.988 128 E CA 0.552 56.940 56.400 -0.019 0.000 0.804 128 E CB -0.082 29.601 29.700 -0.028 0.000 0.745 128 E HN 0.556 nan 8.360 nan 0.000 0.458 129 G N -1.311 107.498 108.800 0.014 0.000 2.710 129 G HA2 0.030 3.923 3.960 -0.112 0.000 0.668 129 G HA3 0.030 3.923 3.960 -0.112 0.000 0.668 129 G C 0.537 175.451 174.900 0.025 0.000 1.320 129 G CA -0.496 44.614 45.100 0.018 0.000 0.860 129 G HN 0.707 nan 8.290 nan 0.000 0.538 130 G N -1.841 106.971 108.800 0.020 0.000 2.157 130 G HA2 0.100 3.992 3.960 -0.112 0.000 0.239 130 G HA3 0.100 3.992 3.960 -0.112 0.000 0.239 130 G C 0.799 175.717 174.900 0.029 0.000 0.982 130 G CA 1.496 46.606 45.100 0.017 0.000 0.650 130 G HN 2.294 nan 8.290 nan 0.000 0.527 131 S N 1.679 117.412 115.700 0.056 0.000 2.510 131 S HA 0.529 4.932 4.470 -0.112 0.000 0.279 131 S C -2.037 172.585 174.600 0.036 0.000 1.284 131 S CA -0.822 57.434 58.200 0.094 0.000 1.059 131 S CB 0.790 64.077 63.200 0.145 0.000 0.901 131 S HN 0.164 nan 8.310 nan 0.000 0.491 132 P HA 0.170 nan 4.420 nan 0.000 0.265 132 P C 0.254 177.540 177.300 -0.024 0.000 1.222 132 P CA 0.103 63.111 63.100 -0.154 0.000 0.767 132 P CB 0.293 31.735 31.700 -0.430 0.000 0.801 133 I N 2.071 122.616 120.570 -0.042 0.000 2.628 133 I HA 0.061 4.163 4.170 -0.112 0.000 0.255 133 I C 1.177 177.340 176.117 0.076 0.000 1.119 133 I CA 0.884 62.206 61.300 0.038 0.000 1.448 133 I CB 0.120 38.126 38.000 0.011 0.000 1.133 133 I HN 0.263 nan 8.210 nan 0.000 0.438 134 K N 0.025 120.392 120.400 -0.054 0.000 2.464 134 K HA 0.395 4.648 4.320 -0.112 0.000 0.253 134 K C -1.724 174.755 176.600 -0.202 0.000 0.933 134 K CA -0.571 55.693 56.287 -0.039 0.000 0.801 134 K CB 2.009 34.520 32.500 0.018 0.000 1.271 134 K HN -0.247 nan 8.250 nan 0.000 0.430 135 Y N 1.269 121.550 120.300 -0.032 0.000 2.387 135 Y HA 0.311 4.794 4.550 -0.112 0.000 0.330 135 Y C 0.724 176.599 175.900 -0.042 0.000 1.133 135 Y CA -0.591 57.462 58.100 -0.079 0.000 1.152 135 Y CB 1.229 39.586 38.460 -0.172 0.000 1.215 135 Y HN 0.554 nan 8.280 nan 0.000 0.466 136 N N 1.344 120.134 118.700 0.150 0.000 2.445 136 N HA 0.098 4.771 4.740 -0.112 0.000 0.264 136 N C 0.771 176.312 175.510 0.052 0.000 1.227 136 N CA -0.171 52.924 53.050 0.076 0.000 0.963 136 N CB 0.853 39.370 38.487 0.050 0.000 1.188 136 N HN 0.592 nan 8.380 nan 0.000 0.491 137 K N 0.381 120.796 120.400 0.025 0.000 2.103 137 K HA -0.178 4.075 4.320 -0.112 0.000 0.207 137 K C 1.333 177.922 176.600 -0.019 0.000 1.048 137 K CA 1.573 57.861 56.287 0.002 0.000 0.930 137 K CB 0.022 32.524 32.500 0.002 0.000 0.716 137 K HN 0.627 nan 8.250 nan 0.000 0.444 138 D N -1.501 118.892 120.400 -0.013 0.000 2.123 138 D HA -0.095 4.478 4.640 -0.112 0.000 0.200 138 D C 1.380 177.650 176.300 -0.051 0.000 0.976 138 D CA 1.749 55.733 54.000 -0.027 0.000 0.831 138 D CB 0.303 41.094 40.800 -0.015 0.000 0.974 138 D HN 0.332 nan 8.370 nan 0.000 0.469 139 G N 0.265 109.040 108.800 -0.041 0.000 2.935 139 G HA2 -0.139 3.754 3.960 -0.112 0.000 0.213 139 G HA3 -0.139 3.754 3.960 -0.112 0.000 0.213 139 G C 0.363 175.275 174.900 0.020 0.000 0.984 139 G CA 0.341 45.390 45.100 -0.086 0.000 0.790 139 G HN 0.673 nan 8.290 nan 0.000 0.538 140 S N 0.198 115.937 115.700 0.064 0.000 2.624 140 S HA 0.669 5.071 4.470 -0.112 0.000 0.263 140 S C 0.444 175.146 174.600 0.170 0.000 1.287 140 S CA -0.499 57.759 58.200 0.096 0.000 0.990 140 S CB 1.103 64.330 63.200 0.045 0.000 0.950 140 S HN 0.440 nan 8.310 nan 0.000 0.561 141 I N 2.112 122.735 120.570 0.088 0.000 2.363 141 I HA 0.231 4.334 4.170 -0.112 0.000 0.292 141 I C 1.338 177.439 176.117 -0.026 0.000 1.075 141 I CA -0.455 60.830 61.300 -0.025 0.000 1.333 141 I CB 0.639 38.595 38.000 -0.074 0.000 1.415 141 I HN 0.912 nan 8.210 nan 0.000 0.502 142 A N 7.915 130.716 122.820 -0.031 0.000 1.854 142 A HA 0.148 4.401 4.320 -0.112 0.000 0.214 142 A C 0.986 178.554 177.584 -0.026 0.000 1.192 142 A CA 1.101 53.130 52.037 -0.012 0.000 0.611 142 A CB -0.008 18.996 19.000 0.007 0.000 0.832 142 A HN 0.637 nan 8.150 nan 0.000 0.442 143 I N -0.856 119.684 120.570 -0.050 0.000 2.498 143 I HA 0.583 4.685 4.170 -0.112 0.000 0.290 143 I C -0.137 175.943 176.117 -0.060 0.000 1.032 143 I CA -0.636 60.641 61.300 -0.038 0.000 1.073 143 I CB 2.054 40.044 38.000 -0.017 0.000 1.251 143 I HN 0.238 nan 8.210 nan 0.000 0.426 144 A N 3.824 126.621 122.820 -0.039 0.000 2.354 144 A HA 0.756 5.008 4.320 -0.112 0.000 0.321 144 A C -0.058 177.518 177.584 -0.013 0.000 1.125 144 A CA -0.575 51.441 52.037 -0.034 0.000 0.799 144 A CB 1.484 20.468 19.000 -0.027 0.000 1.293 144 A HN 0.754 nan 8.150 nan 0.000 0.452 145 S N 1.122 116.821 115.700 -0.001 0.000 2.576 145 S HA 0.346 4.749 4.470 -0.112 0.000 0.276 145 S C -0.155 174.448 174.600 0.004 0.000 1.339 145 S CA -0.281 57.922 58.200 0.006 0.000 1.039 145 S CB 0.291 63.501 63.200 0.017 0.000 0.902 145 S HN 0.587 nan 8.310 nan 0.000 0.516 146 K N 2.328 122.729 120.400 0.001 0.000 2.154 146 K HA 0.406 4.659 4.320 -0.112 0.000 0.264 146 K C -2.480 174.121 176.600 0.003 0.000 1.008 146 K CA -1.892 54.395 56.287 0.001 0.000 0.937 146 K CB 0.159 32.658 32.500 -0.001 0.000 1.002 146 K HN 0.466 nan 8.250 nan 0.000 0.469 147 P HA 0.094 nan 4.420 nan 0.000 0.272 147 P C -0.810 176.497 177.300 0.011 0.000 1.230 147 P CA -0.225 62.882 63.100 0.011 0.000 0.788 147 P CB 0.587 32.296 31.700 0.014 0.000 0.949 148 R N 1.411 121.923 120.500 0.020 0.000 2.407 148 R HA 0.299 4.571 4.340 -0.112 0.000 0.303 148 R C 0.093 176.431 176.300 0.063 0.000 0.981 148 R CA -0.658 55.455 56.100 0.022 0.000 0.905 148 R CB 0.610 30.919 30.300 0.015 0.000 1.099 148 R HN 0.544 nan 8.270 nan 0.000 0.459 149 E N 1.363 121.601 120.200 0.063 0.000 2.415 149 E HA 0.084 4.367 4.350 -0.112 0.000 0.263 149 E C -0.258 176.463 176.600 0.201 0.000 0.995 149 E CA -0.013 56.455 56.400 0.113 0.000 0.915 149 E CB 0.901 30.663 29.700 0.104 0.000 0.951 149 E HN 0.131 nan 8.360 nan 0.000 0.449 150 V N 3.873 123.914 119.914 0.213 0.000 2.539 150 V HA 0.456 4.508 4.120 -0.112 0.000 0.292 150 V C 0.147 176.380 176.094 0.232 0.000 1.045 150 V CA -0.427 62.038 62.300 0.275 0.000 0.945 150 V CB 1.455 33.454 31.823 0.294 0.000 0.993 150 V HN 0.639 nan 8.190 nan 0.000 0.464 151 R N 2.417 123.043 120.500 0.210 0.000 2.626 151 R HA 0.406 4.678 4.340 -0.112 0.000 0.274 151 R C -1.023 175.189 176.300 -0.145 0.000 1.031 151 R CA -0.601 55.472 56.100 -0.046 0.000 0.898 151 R CB 1.929 32.083 30.300 -0.243 0.000 1.222 151 R HN 0.832 nan 8.270 nan 0.000 0.455 152 E N 3.864 123.853 120.200 -0.351 0.000 2.227 152 E HA 0.270 4.553 4.350 -0.112 0.000 0.282 152 E C -1.489 174.790 176.600 -0.535 0.000 1.015 152 E CA -0.384 55.780 56.400 -0.394 0.000 0.823 152 E CB 0.710 30.132 29.700 -0.463 0.000 1.081 152 E HN 0.356 nan 8.360 nan 0.000 0.396 153 F N 3.302 123.237 119.950 -0.025 0.000 2.539 153 F HA 0.278 4.745 4.527 -0.100 0.000 0.318 153 F C 0.196 176.004 175.800 0.013 0.000 1.135 153 F CA -0.973 56.972 58.000 -0.093 0.000 0.915 153 F CB 1.524 40.323 39.000 -0.335 0.000 1.176 153 F HN 0.495 nan 8.300 nan 0.000 0.440 154 N N 2.454 121.223 118.700 0.115 0.000 2.725 154 N HA -0.204 4.469 4.740 -0.112 0.000 0.251 154 N C 0.960 176.495 175.510 0.041 0.000 1.031 154 N CA 1.162 54.255 53.050 0.071 0.000 0.720 154 N CB -0.956 37.585 38.487 0.090 0.000 0.930 154 N HN 1.197 nan 8.380 nan 0.000 0.543 155 G N -0.679 108.105 108.800 -0.026 0.000 2.153 155 G HA2 -0.338 3.555 3.960 -0.112 0.000 0.252 155 G HA3 -0.338 3.555 3.960 -0.112 0.000 0.252 155 G C -0.225 174.610 174.900 -0.108 0.000 0.994 155 G CA 0.894 45.952 45.100 -0.071 0.000 0.698 155 G HN 0.732 nan 8.290 nan 0.000 0.521 156 Q N -0.600 119.131 119.800 -0.115 0.000 2.379 156 Q HA 0.469 4.742 4.340 -0.112 0.000 0.278 156 Q C -0.982 174.784 176.000 -0.390 0.000 1.068 156 Q CA -0.919 54.751 55.803 -0.221 0.000 0.816 156 Q CB 1.363 30.013 28.738 -0.148 0.000 1.387 156 Q HN 0.431 nan 8.270 nan 0.000 0.413 157 H N 2.575 121.326 119.070 -0.533 0.000 2.527 157 H HA 0.385 4.874 4.556 -0.113 0.000 0.321 157 H C -0.968 173.853 175.328 -0.845 0.000 1.087 157 H CA 0.288 55.936 56.048 -0.666 0.000 1.337 157 H CB 0.489 29.538 29.762 -1.187 0.000 1.440 157 H HN 0.399 nan 8.280 nan 0.000 0.490 158 F N 1.937 121.849 119.950 -0.064 0.000 2.603 158 F HA 0.411 4.871 4.527 -0.112 0.000 0.317 158 F C 0.440 176.397 175.800 0.261 0.000 1.066 158 F CA -1.091 56.983 58.000 0.123 0.000 0.941 158 F CB 1.645 40.790 39.000 0.241 0.000 1.291 158 F HN 0.349 nan 8.300 nan 0.000 0.472 159 I N 0.589 121.445 120.570 0.477 0.000 2.603 159 I HA 0.661 4.764 4.170 -0.112 0.000 0.300 159 I C -1.465 174.759 176.117 0.178 0.000 1.017 159 I CA -1.210 60.297 61.300 0.345 0.000 1.098 159 I CB 1.977 40.106 38.000 0.215 0.000 1.279 159 I HN 0.420 nan 8.210 nan 0.000 0.437 160 L N 4.666 125.865 121.223 -0.041 0.000 2.290 160 L HA 0.455 4.727 4.340 -0.112 0.000 0.284 160 L C -0.323 176.297 176.870 -0.416 0.000 1.078 160 L CA 0.622 55.159 54.840 -0.505 0.000 0.815 160 L CB 0.301 42.068 42.059 -0.487 0.000 1.162 160 L HN 0.602 nan 8.230 nan 0.000 0.435 161 E N 4.477 124.271 120.200 -0.676 0.000 2.212 161 E HA 0.382 4.665 4.350 -0.112 0.000 0.268 161 E C -0.965 175.283 176.600 -0.586 0.000 0.902 161 E CA -0.558 55.466 56.400 -0.627 0.000 0.779 161 E CB 1.863 31.101 29.700 -0.771 0.000 1.172 161 E HN 0.591 nan 8.360 nan 0.000 0.409 162 E N 0.650 120.685 120.200 -0.275 0.000 2.222 162 E HA 0.519 4.802 4.350 -0.112 0.000 0.272 162 E C -0.449 176.146 176.600 -0.007 0.000 0.982 162 E CA -0.826 55.498 56.400 -0.126 0.000 0.842 162 E CB 1.752 31.405 29.700 -0.080 0.000 1.144 162 E HN 0.528 nan 8.360 nan 0.000 0.397 163 A N 2.749 125.604 122.820 0.059 0.000 2.520 163 A HA 0.160 4.413 4.320 -0.112 0.000 0.235 163 A C -0.063 177.560 177.584 0.066 0.000 1.065 163 A CA 0.278 52.377 52.037 0.104 0.000 0.764 163 A CB 0.027 19.079 19.000 0.087 0.000 1.002 163 A HN 0.542 nan 8.150 nan 0.000 0.502 164 I N 1.546 122.161 120.570 0.075 0.000 2.378 164 I HA 0.446 4.549 4.170 -0.112 0.000 0.291 164 I C 0.413 176.560 176.117 0.049 0.000 0.992 164 I CA -0.155 61.178 61.300 0.055 0.000 1.154 164 I CB 1.461 39.498 38.000 0.060 0.000 1.315 164 I HN 0.752 nan 8.210 nan 0.000 0.448 165 R N 3.715 124.239 120.500 0.040 0.000 2.628 165 R HA 0.679 4.952 4.340 -0.112 0.000 0.288 165 R C -0.517 175.805 176.300 0.035 0.000 0.980 165 R CA -0.569 55.552 56.100 0.036 0.000 0.891 165 R CB 2.174 32.494 30.300 0.032 0.000 1.188 165 R HN 0.769 nan 8.270 nan 0.000 0.450 166 G N 0.746 109.567 108.800 0.036 0.000 2.434 166 G HA2 0.137 4.030 3.960 -0.112 0.000 0.330 166 G HA3 0.137 4.030 3.960 -0.112 0.000 0.330 166 G C -0.109 174.810 174.900 0.033 0.000 1.155 166 G CA -0.487 44.642 45.100 0.047 0.000 0.917 166 G HN 0.682 nan 8.290 nan 0.000 0.493 167 D N -0.427 120.015 120.400 0.071 0.000 2.149 167 D HA 0.027 4.600 4.640 -0.112 0.000 0.201 167 D C -0.059 176.164 176.300 -0.129 0.000 0.972 167 D CA 1.302 55.324 54.000 0.037 0.000 0.835 167 D CB 0.164 41.087 40.800 0.205 0.000 0.966 167 D HN 0.199 nan 8.370 nan 0.000 0.476 168 F N -0.550 119.413 119.950 0.022 0.000 2.599 168 F HA 0.566 5.026 4.527 -0.111 0.000 0.311 168 F C -0.437 175.369 175.800 0.010 0.000 1.076 168 F CA -1.260 56.752 58.000 0.019 0.000 0.937 168 F CB 1.989 40.991 39.000 0.003 0.000 1.282 168 F HN -0.299 nan 8.300 nan 0.000 0.460 169 A N 2.953 125.879 122.820 0.177 0.000 2.343 169 A HA 0.828 5.081 4.320 -0.112 0.000 0.308 169 A C -1.567 176.079 177.584 0.105 0.000 1.092 169 A CA -0.594 51.507 52.037 0.106 0.000 0.751 169 A CB 0.872 19.901 19.000 0.049 0.000 1.203 169 A HN 0.727 nan 8.150 nan 0.000 0.452 170 L N 3.246 124.515 121.223 0.077 0.000 2.280 170 L HA 0.585 4.858 4.340 -0.112 0.000 0.287 170 L C -0.882 176.027 176.870 0.065 0.000 1.023 170 L CA -0.746 54.127 54.840 0.056 0.000 0.819 170 L CB 1.330 43.401 42.059 0.020 0.000 1.212 170 L HN 0.417 nan 8.230 nan 0.000 0.420 171 V N 2.814 122.777 119.914 0.081 0.000 2.656 171 V HA 0.442 4.495 4.120 -0.112 0.000 0.307 171 V C -0.279 175.903 176.094 0.146 0.000 1.051 171 V CA -0.833 61.542 62.300 0.125 0.000 0.893 171 V CB 2.372 34.277 31.823 0.136 0.000 0.999 171 V HN 0.588 nan 8.190 nan 0.000 0.426 172 K N 3.357 123.874 120.400 0.194 0.000 2.182 172 K HA 0.888 5.141 4.320 -0.112 0.000 0.262 172 K C -0.635 176.122 176.600 0.260 0.000 0.957 172 K CA 0.009 56.417 56.287 0.202 0.000 0.842 172 K CB 1.666 34.281 32.500 0.192 0.000 1.099 172 K HN 0.964 nan 8.250 nan 0.000 0.438 173 A N 3.148 126.043 122.820 0.126 0.000 2.569 173 A HA 0.469 4.722 4.320 -0.112 0.000 0.290 173 A C -0.673 176.932 177.584 0.034 0.000 1.136 173 A CA -0.795 51.215 52.037 -0.044 0.000 0.710 173 A CB 0.225 18.960 19.000 -0.441 0.000 1.303 173 A HN 0.904 nan 8.150 nan 0.000 0.413 174 W N 1.028 122.207 121.300 -0.200 0.000 2.474 174 W HA 0.264 4.854 4.660 -0.116 0.000 0.319 174 W C 0.129 176.596 176.519 -0.087 0.000 1.165 174 W CA 1.303 58.573 57.345 -0.126 0.000 1.356 174 W CB 0.009 29.425 29.460 -0.073 0.000 1.172 174 W HN 0.542 nan 8.180 nan 0.000 0.478 175 K N -0.292 120.019 120.400 -0.147 0.000 2.375 175 K HA 0.633 4.886 4.320 -0.112 0.000 0.249 175 K C -1.227 175.384 176.600 0.019 0.000 0.942 175 K CA -0.739 55.435 56.287 -0.187 0.000 0.806 175 K CB 2.220 34.502 32.500 -0.363 0.000 1.227 175 K HN -0.117 nan 8.250 nan 0.000 0.430 176 A N 1.721 124.596 122.820 0.091 0.000 2.414 176 A HA 0.465 4.718 4.320 -0.112 0.000 0.306 176 A C -1.173 176.509 177.584 0.163 0.000 1.054 176 A CA -0.819 51.326 52.037 0.179 0.000 0.724 176 A CB 1.034 20.098 19.000 0.107 0.000 1.267 176 A HN 0.812 nan 8.150 nan 0.000 0.418 177 D N 0.585 121.116 120.400 0.220 0.000 2.423 177 D HA 0.213 4.786 4.640 -0.112 0.000 0.255 177 D C 0.522 176.910 176.300 0.147 0.000 1.174 177 D CA -0.343 53.659 54.000 0.004 0.000 1.008 177 D CB 0.416 41.148 40.800 -0.112 0.000 1.101 177 D HN 0.477 nan 8.370 nan 0.000 0.516 178 Q N -0.803 119.019 119.800 0.037 0.000 2.515 178 Q HA 0.088 4.361 4.340 -0.112 0.000 0.212 178 Q C 1.296 177.381 176.000 0.141 0.000 0.970 178 Q CA 0.693 56.493 55.803 -0.004 0.000 0.941 178 Q CB 0.040 28.676 28.738 -0.170 0.000 0.998 178 Q HN 0.605 nan 8.270 nan 0.000 0.518 179 A N -0.255 122.675 122.820 0.183 0.000 2.147 179 A HA 0.325 4.578 4.320 -0.112 0.000 0.211 179 A C 1.574 179.303 177.584 0.241 0.000 1.160 179 A CA 0.912 53.063 52.037 0.190 0.000 0.781 179 A CB 0.181 19.246 19.000 0.109 0.000 0.842 179 A HN 0.413 nan 8.150 nan 0.000 0.475 180 G N -0.949 108.012 108.800 0.268 0.000 2.192 180 G HA2 -0.186 3.706 3.960 -0.112 0.000 0.193 180 G HA3 -0.186 3.706 3.960 -0.112 0.000 0.193 180 G C -0.120 174.831 174.900 0.086 0.000 0.999 180 G CA -0.062 45.105 45.100 0.110 0.000 0.659 180 G HN 0.401 nan 8.290 nan 0.000 0.503 181 N N 0.163 118.947 118.700 0.139 0.000 2.479 181 N HA 0.471 5.144 4.740 -0.112 0.000 0.257 181 N C -0.096 175.456 175.510 0.069 0.000 1.232 181 N CA 0.455 53.569 53.050 0.107 0.000 0.920 181 N CB 1.919 40.505 38.487 0.164 0.000 1.105 181 N HN 0.192 nan 8.380 nan 0.000 0.444 182 V N 0.202 120.040 119.914 -0.126 0.000 2.876 182 V HA 0.561 4.614 4.120 -0.112 0.000 0.312 182 V C 0.099 175.856 176.094 -0.562 0.000 1.085 182 V CA -0.696 61.433 62.300 -0.285 0.000 0.945 182 V CB 2.203 33.876 31.823 -0.250 0.000 1.017 182 V HN 0.923 nan 8.190 nan 0.000 0.428 183 T N 0.089 114.239 114.554 -0.673 0.000 2.901 183 T HA 0.849 5.132 4.350 -0.112 0.000 0.293 183 T C -1.184 173.280 174.700 -0.394 0.000 1.084 183 T CA -0.579 61.169 62.100 -0.588 0.000 1.008 183 T CB 1.948 70.370 68.868 -0.745 0.000 1.170 183 T HN 0.199 nan 8.240 nan 0.000 0.509 184 F N -0.265 119.948 119.950 0.439 0.000 2.577 184 F HA 0.720 5.184 4.527 -0.104 0.000 0.318 184 F C 0.367 176.306 175.800 0.232 0.000 1.065 184 F CA -1.232 56.942 58.000 0.289 0.000 0.929 184 F CB 2.225 41.298 39.000 0.122 0.000 1.237 184 F HN 0.595 nan 8.300 nan 0.000 0.468 185 R N 2.566 123.160 120.500 0.155 0.000 2.343 185 R HA 0.454 4.727 4.340 -0.112 0.000 0.320 185 R C -0.180 175.871 176.300 -0.413 0.000 0.956 185 R CA -0.255 55.671 56.100 -0.289 0.000 0.836 185 R CB 0.600 30.371 30.300 -0.882 0.000 1.151 185 R HN 0.802 nan 8.270 nan 0.000 0.450 186 K N 0.724 120.731 120.400 -0.655 0.000 1.844 186 K HA -0.286 3.967 4.320 -0.112 0.000 0.160 186 K C 0.633 176.626 176.600 -1.011 0.000 1.448 186 K CA 1.732 57.184 56.287 -1.391 0.000 0.446 186 K CB -1.487 30.440 32.500 -0.955 0.000 0.635 186 K HN 0.742 nan 8.250 nan 0.000 0.848 187 S N 0.518 115.818 115.700 -0.667 0.000 2.603 187 S HA 0.216 4.619 4.470 -0.112 0.000 0.220 187 S C 1.519 176.000 174.600 -0.197 0.000 0.967 187 S CA 0.617 58.627 58.200 -0.318 0.000 0.920 187 S CB 0.375 63.473 63.200 -0.170 0.000 0.773 187 S HN 0.606 nan 8.310 nan 0.000 0.529 188 A N 1.629 124.345 122.820 -0.174 0.000 2.239 188 A HA 0.129 4.381 4.320 -0.112 0.000 0.209 188 A C 2.166 179.745 177.584 -0.008 0.000 1.171 188 A CA 0.643 52.657 52.037 -0.040 0.000 0.768 188 A CB -0.555 18.433 19.000 -0.020 0.000 0.790 188 A HN 0.590 nan 8.150 nan 0.000 0.478 189 R N 0.601 121.018 120.500 -0.139 0.000 2.055 189 R HA -0.177 4.096 4.340 -0.112 0.000 0.228 189 R C 1.725 177.819 176.300 -0.344 0.000 1.143 189 R CA 1.675 57.543 56.100 -0.387 0.000 0.945 189 R CB -0.453 29.568 30.300 -0.465 0.000 0.841 189 R HN 0.704 nan 8.270 nan 0.000 0.429 190 N N -0.632 117.917 118.700 -0.252 0.000 1.109 190 N HA -0.355 4.318 4.740 -0.112 0.000 0.142 190 N C 0.912 176.301 175.510 -0.202 0.000 0.434 190 N CA 2.642 55.587 53.050 -0.175 0.000 0.976 190 N CB -1.477 37.049 38.487 0.066 0.000 1.494 190 N HN 0.235 nan 8.380 nan 0.000 0.474 191 F N 0.215 120.137 119.950 -0.047 0.000 2.743 191 F HA 0.280 4.751 4.527 -0.092 0.000 0.297 191 F C 2.074 177.827 175.800 -0.078 0.000 1.131 191 F CA -0.007 57.975 58.000 -0.030 0.000 1.426 191 F CB -0.212 38.814 39.000 0.043 0.000 1.116 191 F HN 0.259 nan 8.300 nan 0.000 0.583 192 N N 0.572 119.283 118.700 0.018 0.000 2.166 192 N HA -0.185 4.488 4.740 -0.112 0.000 0.186 192 N C 2.071 177.518 175.510 -0.104 0.000 1.019 192 N CA 1.110 54.161 53.050 0.002 0.000 0.856 192 N CB -0.360 38.174 38.487 0.078 0.000 0.993 192 N HN 0.345 nan 8.380 nan 0.000 0.426 193 L N 2.002 122.997 121.223 -0.381 0.000 1.988 193 L HA -0.051 4.221 4.340 -0.112 0.000 0.207 193 L C -0.761 176.001 176.870 -0.180 0.000 1.071 193 L CA 1.535 56.185 54.840 -0.317 0.000 0.744 193 L CB -1.197 40.589 42.059 -0.455 0.000 0.893 193 L HN 0.076 nan 8.230 nan 0.000 0.433 194 P HA -0.211 nan 4.420 nan 0.000 0.216 194 P C 1.847 179.097 177.300 -0.083 0.000 1.153 194 P CA 1.855 64.872 63.100 -0.138 0.000 0.848 194 P CB -0.170 31.461 31.700 -0.115 0.000 0.787 195 M N -1.064 118.533 119.600 -0.005 0.000 2.267 195 M HA -0.162 4.251 4.480 -0.112 0.000 0.263 195 M C 2.348 178.641 176.300 -0.012 0.000 1.063 195 M CA 1.284 56.600 55.300 0.028 0.000 1.090 195 M CB -1.029 31.621 32.600 0.084 0.000 1.392 195 M HN 0.024 nan 8.290 nan 0.000 0.422 196 C N 0.744 120.021 119.300 -0.039 0.000 2.437 196 C HA -0.100 4.292 4.460 -0.112 0.000 0.283 196 C C 2.221 177.127 174.990 -0.139 0.000 1.424 196 C CA 1.056 60.040 59.018 -0.056 0.000 1.782 196 C CB -0.887 26.852 27.740 -0.003 0.000 1.833 196 C HN 0.449 nan 8.230 nan 0.000 0.532 197 K N -0.414 119.860 120.400 -0.212 0.000 2.360 197 K HA 0.240 4.493 4.320 -0.112 0.000 0.196 197 K C 1.180 177.754 176.600 -0.043 0.000 1.049 197 K CA 0.610 56.752 56.287 -0.240 0.000 1.049 197 K CB 0.272 32.469 32.500 -0.506 0.000 0.881 197 K HN 0.273 nan 8.250 nan 0.000 0.542 198 A N 1.168 123.969 122.820 -0.031 0.000 2.545 198 A HA 0.562 4.815 4.320 -0.112 0.000 0.277 198 A C 0.097 177.694 177.584 0.022 0.000 1.301 198 A CA -0.265 51.776 52.037 0.008 0.000 0.935 198 A CB 0.245 19.252 19.000 0.011 0.000 1.093 198 A HN 0.173 nan 8.150 nan 0.000 0.519 199 A N -0.862 121.970 122.820 0.019 0.000 2.454 199 A HA 0.648 4.901 4.320 -0.112 0.000 0.302 199 A C 0.577 178.174 177.584 0.022 0.000 1.079 199 A CA -0.063 51.980 52.037 0.010 0.000 0.731 199 A CB 0.964 19.965 19.000 0.002 0.000 1.299 199 A HN 0.108 nan 8.150 nan 0.000 0.413 200 E N 0.668 120.846 120.200 -0.037 0.000 2.051 200 E HA -0.053 4.230 4.350 -0.112 0.000 0.192 200 E C 0.308 176.889 176.600 -0.033 0.000 0.991 200 E CA 2.268 58.635 56.400 -0.055 0.000 0.799 200 E CB 0.046 29.661 29.700 -0.141 0.000 0.748 200 E HN 0.603 nan 8.360 nan 0.000 0.449 201 T N 0.653 115.073 114.554 -0.222 0.000 2.809 201 T HA 0.422 4.705 4.350 -0.112 0.000 0.284 201 T C -0.822 173.856 174.700 -0.036 0.000 0.992 201 T CA -0.373 61.674 62.100 -0.089 0.000 0.957 201 T CB 1.453 69.992 68.868 -0.549 0.000 0.942 201 T HN 0.190 nan 8.240 nan 0.000 0.439 202 T N 0.243 114.796 114.554 -0.001 0.000 2.771 202 T HA 0.681 4.963 4.350 -0.112 0.000 0.281 202 T C -0.368 174.328 174.700 -0.006 0.000 0.982 202 T CA -0.723 61.325 62.100 -0.087 0.000 0.978 202 T CB 0.841 69.548 68.868 -0.268 0.000 0.930 202 T HN 0.290 nan 8.240 nan 0.000 0.447 203 V N 4.099 124.040 119.914 0.045 0.000 2.378 203 V HA 0.518 4.571 4.120 -0.112 0.000 0.288 203 V C -0.212 175.895 176.094 0.022 0.000 1.016 203 V CA -0.821 61.496 62.300 0.027 0.000 0.840 203 V CB 1.477 33.319 31.823 0.032 0.000 0.994 203 V HN 0.894 nan 8.190 nan 0.000 0.431 204 V N 5.140 125.059 119.914 0.008 0.000 2.459 204 V HA 0.497 4.550 4.120 -0.112 0.000 0.295 204 V C -0.008 176.110 176.094 0.040 0.000 1.029 204 V CA -0.649 61.668 62.300 0.029 0.000 0.874 204 V CB 1.884 33.712 31.823 0.008 0.000 0.985 204 V HN 1.053 nan 8.190 nan 0.000 0.438 205 E N 4.430 124.679 120.200 0.082 0.000 2.191 205 E HA 0.764 5.047 4.350 -0.112 0.000 0.274 205 E C -0.939 175.757 176.600 0.161 0.000 0.948 205 E CA -0.765 55.714 56.400 0.132 0.000 0.802 205 E CB 2.297 32.095 29.700 0.163 0.000 1.137 205 E HN 0.505 nan 8.360 nan 0.000 0.397 206 V N -0.100 119.921 119.914 0.178 0.000 2.962 206 V HA 0.352 4.404 4.120 -0.112 0.000 0.313 206 V C 0.474 176.672 176.094 0.173 0.000 1.099 206 V CA -0.794 61.581 62.300 0.124 0.000 0.971 206 V CB 1.740 33.600 31.823 0.062 0.000 1.028 206 V HN 0.881 nan 8.190 nan 0.000 0.430 207 E N 0.867 121.082 120.200 0.024 0.000 2.158 207 E HA 0.096 4.379 4.350 -0.112 0.000 0.191 207 E C 0.419 177.080 176.600 0.102 0.000 0.982 207 E CA 1.035 57.437 56.400 0.002 0.000 0.823 207 E CB 0.498 30.132 29.700 -0.109 0.000 0.766 207 E HN 0.831 nan 8.360 nan 0.000 0.468 208 E N 0.271 120.491 120.200 0.034 0.000 2.343 208 E HA 0.358 4.641 4.350 -0.112 0.000 0.278 208 E C -1.506 175.080 176.600 -0.023 0.000 0.910 208 E CA -0.426 55.970 56.400 -0.007 0.000 0.757 208 E CB 1.662 31.312 29.700 -0.084 0.000 1.218 208 E HN -0.071 nan 8.360 nan 0.000 0.435 209 I N 4.798 125.364 120.570 -0.006 0.000 2.355 209 I HA 0.295 4.398 4.170 -0.112 0.000 0.288 209 I C 0.176 176.244 176.117 -0.083 0.000 0.999 209 I CA -0.857 60.442 61.300 -0.003 0.000 1.163 209 I CB 1.342 39.380 38.000 0.064 0.000 1.316 209 I HN 0.339 nan 8.210 nan 0.000 0.454 210 V N 2.156 121.975 119.914 -0.159 0.000 3.193 210 V HA 0.594 4.647 4.120 -0.112 0.000 0.320 210 V C -0.365 175.588 176.094 -0.235 0.000 1.112 210 V CA -0.757 61.399 62.300 -0.241 0.000 1.026 210 V CB 1.677 33.258 31.823 -0.403 0.000 1.128 210 V HN 0.464 nan 8.190 nan 0.000 0.452 211 D N 0.755 121.013 120.400 -0.237 0.000 2.304 211 D HA 0.460 5.032 4.640 -0.112 0.000 0.247 211 D C 0.197 176.365 176.300 -0.220 0.000 1.089 211 D CA -0.033 53.853 54.000 -0.190 0.000 0.910 211 D CB 0.871 41.581 40.800 -0.150 0.000 1.199 211 D HN 0.607 nan 8.370 nan 0.000 0.426 212 I N 1.229 121.710 120.570 -0.148 0.000 2.752 212 I HA 0.114 4.217 4.170 -0.112 0.000 0.289 212 I C 1.683 177.730 176.117 -0.117 0.000 1.197 212 I CA 0.894 62.126 61.300 -0.114 0.000 1.432 212 I CB 0.189 38.156 38.000 -0.055 0.000 1.359 212 I HN 0.733 nan 8.210 nan 0.000 0.571 213 G N 3.397 112.131 108.800 -0.109 0.000 2.213 213 G HA2 -0.290 3.603 3.960 -0.112 0.000 0.226 213 G HA3 -0.290 3.603 3.960 -0.112 0.000 0.226 213 G C 1.000 175.822 174.900 -0.129 0.000 0.992 213 G CA 0.355 45.404 45.100 -0.085 0.000 0.632 213 G HN 0.562 nan 8.290 nan 0.000 0.511 214 S N 0.072 115.612 115.700 -0.266 0.000 2.382 214 S HA 0.218 4.621 4.470 -0.112 0.000 0.228 214 S C 0.815 175.258 174.600 -0.262 0.000 1.027 214 S CA 0.817 58.812 58.200 -0.340 0.000 0.991 214 S CB -0.140 62.721 63.200 -0.564 0.000 0.823 214 S HN 0.382 nan 8.310 nan 0.000 0.469 215 F N 1.723 121.624 119.950 -0.082 0.000 2.384 215 F HA 0.569 5.033 4.527 -0.105 0.000 0.338 215 F C 0.716 176.486 175.800 -0.049 0.000 1.103 215 F CA -2.071 55.880 58.000 -0.082 0.000 1.157 215 F CB 0.071 39.011 39.000 -0.101 0.000 1.167 215 F HN -0.032 nan 8.300 nan 0.000 0.529 216 A N 5.563 128.484 122.820 0.168 0.000 2.488 216 A HA 0.284 4.537 4.320 -0.112 0.000 0.249 216 A C -1.358 176.280 177.584 0.091 0.000 1.083 216 A CA -1.044 51.051 52.037 0.096 0.000 0.768 216 A CB -0.241 18.802 19.000 0.072 0.000 1.017 216 A HN 0.593 nan 8.150 nan 0.000 0.496 217 P HA -0.161 nan 4.420 nan 0.000 0.219 217 P C 0.631 177.955 177.300 0.040 0.000 1.146 217 P CA 1.299 64.434 63.100 0.058 0.000 0.808 217 P CB 0.262 31.989 31.700 0.045 0.000 0.779 218 E N -0.057 120.167 120.200 0.040 0.000 2.204 218 E HA -0.105 4.178 4.350 -0.112 0.000 0.194 218 E C 0.946 177.573 176.600 0.045 0.000 0.989 218 E CA 0.937 57.361 56.400 0.040 0.000 0.824 218 E CB -0.485 29.239 29.700 0.040 0.000 0.756 218 E HN 0.311 nan 8.360 nan 0.000 0.477 219 D N -0.162 120.253 120.400 0.025 0.000 2.427 219 D HA 0.116 4.689 4.640 -0.112 0.000 0.224 219 D C -0.194 175.982 176.300 -0.206 0.000 1.157 219 D CA -0.009 53.990 54.000 -0.001 0.000 0.828 219 D CB 0.237 41.051 40.800 0.022 0.000 0.974 219 D HN 0.181 nan 8.370 nan 0.000 0.498 220 I N 0.979 121.452 120.570 -0.162 0.000 2.379 220 I HA 0.048 4.151 4.170 -0.112 0.000 0.290 220 I C 1.425 177.493 176.117 -0.082 0.000 1.063 220 I CA -0.168 60.961 61.300 -0.284 0.000 1.351 220 I CB 0.722 38.644 38.000 -0.130 0.000 1.410 220 I HN -0.020 nan 8.210 nan 0.000 0.505 221 H N 5.960 124.997 119.070 -0.056 0.000 2.372 221 H HA 0.196 4.686 4.556 -0.111 0.000 0.301 221 H C 0.096 175.517 175.328 0.155 0.000 1.065 221 H CA 0.419 56.528 56.048 0.102 0.000 1.364 221 H CB 0.551 30.489 29.762 0.292 0.000 1.406 221 H HN 0.330 nan 8.280 nan 0.000 0.521 222 I N 2.052 122.769 120.570 0.244 0.000 2.411 222 I HA 0.232 4.334 4.170 -0.112 0.000 0.284 222 I C -2.537 173.681 176.117 0.170 0.000 1.012 222 I CA -2.737 58.708 61.300 0.240 0.000 1.119 222 I CB 1.640 39.800 38.000 0.267 0.000 1.261 222 I HN -0.156 nan 8.210 nan 0.000 0.448 223 P HA 0.101 nan 4.420 nan 0.000 0.269 223 P C 0.803 178.158 177.300 0.093 0.000 1.209 223 P CA -0.304 62.866 63.100 0.117 0.000 0.776 223 P CB 0.570 32.316 31.700 0.076 0.000 0.876 224 K N 2.932 123.361 120.400 0.048 0.000 2.218 224 K HA -0.184 4.069 4.320 -0.112 0.000 0.205 224 K C 1.698 178.305 176.600 0.012 0.000 1.046 224 K CA 1.521 57.833 56.287 0.042 0.000 0.933 224 K CB -0.942 31.589 32.500 0.052 0.000 0.728 224 K HN 0.337 nan 8.250 nan 0.000 0.454 225 I N 0.647 121.170 120.570 -0.079 0.000 2.315 225 I HA -0.303 3.800 4.170 -0.112 0.000 0.251 225 I C 1.402 177.443 176.117 -0.126 0.000 1.125 225 I CA 1.400 62.604 61.300 -0.160 0.000 1.392 225 I CB 0.024 37.822 38.000 -0.336 0.000 1.065 225 I HN 0.122 nan 8.210 nan 0.000 0.424 226 Y N -0.125 120.193 120.300 0.030 0.000 2.475 226 Y HA 0.141 4.629 4.550 -0.104 0.000 0.289 226 Y C 0.921 176.692 175.900 -0.215 0.000 1.121 226 Y CA 0.010 58.077 58.100 -0.056 0.000 1.257 226 Y CB -0.307 38.133 38.460 -0.033 0.000 1.026 226 Y HN -0.169 nan 8.280 nan 0.000 0.555 227 V N 1.260 121.198 119.914 0.040 0.000 2.353 227 V HA 0.069 4.122 4.120 -0.112 0.000 0.264 227 V C 0.325 176.444 176.094 0.042 0.000 1.049 227 V CA -0.176 62.106 62.300 -0.030 0.000 0.896 227 V CB 0.289 32.106 31.823 -0.009 0.000 1.025 227 V HN 0.456 nan 8.190 nan 0.000 0.475 228 H N 3.420 122.501 119.070 0.019 0.000 2.451 228 H HA 0.292 4.781 4.556 -0.111 0.000 0.294 228 H C 0.648 175.993 175.328 0.028 0.000 1.028 228 H CA 0.145 56.202 56.048 0.015 0.000 1.349 228 H CB 0.536 30.306 29.762 0.014 0.000 1.444 228 H HN 0.415 nan 8.280 nan 0.000 0.538 229 R N 1.008 121.588 120.500 0.133 0.000 2.575 229 R HA 0.418 4.690 4.340 -0.112 0.000 0.293 229 R C -1.885 174.416 176.300 0.001 0.000 0.983 229 R CA -0.891 55.284 56.100 0.124 0.000 0.887 229 R CB 2.754 33.092 30.300 0.064 0.000 1.184 229 R HN -0.035 nan 8.270 nan 0.000 0.445 230 L N 2.820 124.021 121.223 -0.037 0.000 2.385 230 L HA 0.629 4.902 4.340 -0.112 0.000 0.273 230 L C -1.386 175.517 176.870 0.055 0.000 0.990 230 L CA -0.804 53.965 54.840 -0.119 0.000 0.821 230 L CB 2.147 43.929 42.059 -0.461 0.000 1.279 230 L HN 0.443 nan 8.230 nan 0.000 0.412 231 V N 4.893 124.857 119.914 0.083 0.000 2.789 231 V HA 0.519 4.572 4.120 -0.112 0.000 0.311 231 V C -0.810 175.375 176.094 0.152 0.000 1.073 231 V CA -0.824 61.565 62.300 0.148 0.000 0.921 231 V CB 2.115 33.996 31.823 0.096 0.000 1.009 231 V HN 0.869 nan 8.190 nan 0.000 0.426 232 K N 4.513 125.017 120.400 0.173 0.000 2.276 232 K HA 0.568 4.821 4.320 -0.112 0.000 0.285 232 K C 0.306 177.003 176.600 0.162 0.000 1.062 232 K CA 0.028 56.422 56.287 0.178 0.000 0.918 232 K CB 0.838 33.434 32.500 0.160 0.000 1.055 232 K HN 0.971 nan 8.250 nan 0.000 0.477 233 G N 2.876 111.818 108.800 0.236 0.000 2.365 233 G HA2 -0.057 3.836 3.960 -0.112 0.000 0.249 233 G HA3 -0.057 3.836 3.960 -0.112 0.000 0.249 233 G C 0.414 175.286 174.900 -0.048 0.000 1.288 233 G CA -0.289 44.839 45.100 0.046 0.000 0.887 233 G HN 0.947 nan 8.290 nan 0.000 0.524 234 E N 1.433 121.554 120.200 -0.131 0.000 2.046 234 E HA -0.029 4.254 4.350 -0.112 0.000 0.190 234 E C 0.878 177.406 176.600 -0.120 0.000 0.982 234 E CA 0.751 57.106 56.400 -0.075 0.000 0.800 234 E CB 0.104 29.772 29.700 -0.053 0.000 0.756 234 E HN 0.444 nan 8.360 nan 0.000 0.449 235 K N -0.313 119.922 120.400 -0.274 0.000 2.397 235 K HA 0.228 4.481 4.320 -0.112 0.000 0.253 235 K C -1.992 174.353 176.600 -0.425 0.000 0.932 235 K CA -0.567 55.597 56.287 -0.205 0.000 0.795 235 K CB 1.100 33.544 32.500 -0.094 0.000 1.159 235 K HN -0.087 nan 8.250 nan 0.000 0.424 236 Y N 2.345 122.698 120.300 0.087 0.000 2.363 236 Y HA 0.197 4.680 4.550 -0.112 0.000 0.325 236 Y C 0.314 176.267 175.900 0.089 0.000 0.984 236 Y CA -0.664 57.497 58.100 0.102 0.000 1.248 236 Y CB 1.996 40.514 38.460 0.097 0.000 1.116 236 Y HN 0.697 nan 8.280 nan 0.000 0.470 237 E N 2.177 122.516 120.200 0.233 0.000 2.481 237 E HA -0.026 4.257 4.350 -0.112 0.000 0.195 237 E C 0.150 176.802 176.600 0.085 0.000 1.047 237 E CA 0.080 56.549 56.400 0.115 0.000 0.867 237 E CB 0.184 29.906 29.700 0.036 0.000 0.858 237 E HN 0.434 nan 8.360 nan 0.000 0.513 238 K N 1.395 121.882 120.400 0.146 0.000 3.071 238 K HA -0.210 4.043 4.320 -0.112 0.000 0.262 238 K C -0.499 176.128 176.600 0.045 0.000 0.977 238 K CA 0.615 56.956 56.287 0.091 0.000 0.721 238 K CB -1.487 31.049 32.500 0.060 0.000 1.293 238 K HN 0.276 nan 8.250 nan 0.000 0.475 239 R N 0.207 120.733 120.500 0.044 0.000 2.491 239 R HA 0.312 4.584 4.340 -0.112 0.000 0.283 239 R C 0.759 177.071 176.300 0.019 0.000 1.072 239 R CA -0.017 56.062 56.100 -0.035 0.000 1.048 239 R CB 0.483 30.677 30.300 -0.175 0.000 0.983 239 R HN 0.165 nan 8.270 nan 0.000 0.450 240 I N 1.880 122.447 120.570 -0.005 0.000 2.389 240 I HA 0.065 4.168 4.170 -0.112 0.000 0.288 240 I C 1.370 177.495 176.117 0.014 0.000 0.999 240 I CA -0.208 61.103 61.300 0.017 0.000 1.129 240 I CB 1.970 39.975 38.000 0.008 0.000 1.288 240 I HN 0.723 nan 8.210 nan 0.000 0.444 241 E N 6.068 126.291 120.200 0.038 0.000 2.028 241 E HA 0.052 4.335 4.350 -0.112 0.000 0.190 241 E C 0.352 176.967 176.600 0.026 0.000 0.984 241 E CA 0.928 57.351 56.400 0.038 0.000 0.800 241 E CB 0.516 30.253 29.700 0.061 0.000 0.758 241 E HN 0.472 nan 8.360 nan 0.000 0.448 242 R N 0.820 121.337 120.500 0.028 0.000 2.451 242 R HA 0.294 4.567 4.340 -0.112 0.000 0.307 242 R C -1.444 174.849 176.300 -0.012 0.000 0.965 242 R CA -0.754 55.350 56.100 0.008 0.000 0.865 242 R CB 1.569 31.879 30.300 0.017 0.000 1.174 242 R HN 0.073 nan 8.270 nan 0.000 0.455 243 L N 2.229 123.433 121.223 -0.031 0.000 2.278 243 L HA 0.251 4.524 4.340 -0.112 0.000 0.287 243 L C -0.484 176.322 176.870 -0.108 0.000 1.072 243 L CA 0.531 55.342 54.840 -0.048 0.000 0.819 243 L CB 1.428 43.465 42.059 -0.037 0.000 1.176 243 L HN 0.480 nan 8.230 nan 0.000 0.435 244 S N 3.746 119.350 115.700 -0.160 0.000 2.566 244 S HA 0.657 5.060 4.470 -0.112 0.000 0.324 244 S C -0.661 173.815 174.600 -0.205 0.000 1.081 244 S CA -0.521 57.463 58.200 -0.360 0.000 1.105 244 S CB 1.149 63.840 63.200 -0.847 0.000 0.981 244 S HN 0.319 nan 8.310 nan 0.000 0.464 245 V N 5.010 124.845 119.914 -0.133 0.000 2.604 245 V HA 0.577 4.630 4.120 -0.112 0.000 0.305 245 V C 0.313 176.412 176.094 0.010 0.000 1.043 245 V CA -1.063 61.224 62.300 -0.021 0.000 0.888 245 V CB 1.896 33.710 31.823 -0.016 0.000 0.995 245 V HN 0.884 nan 8.190 nan 0.000 0.429 262 V N 1.560 121.416 119.914 -0.097 0.000 2.446 262 V HA 0.137 4.190 4.120 -0.112 0.000 0.244 262 V C 2.566 178.579 176.094 -0.135 0.000 1.039 262 V CA 1.357 63.570 62.300 -0.145 0.000 1.045 262 V CB -0.394 31.367 31.823 -0.104 0.000 0.681 262 V HN 0.232 nan 8.190 nan 0.000 0.459 263 R N -0.020 120.431 120.500 -0.081 0.000 2.073 263 R HA -0.203 4.070 4.340 -0.112 0.000 0.234 263 R C 2.320 178.570 176.300 -0.084 0.000 1.134 263 R CA 1.750 57.812 56.100 -0.064 0.000 0.952 263 R CB -0.356 29.930 30.300 -0.023 0.000 0.850 263 R HN 0.592 nan 8.270 nan 0.000 0.433 264 E N 0.614 120.768 120.200 -0.077 0.000 2.160 264 E HA -0.237 4.046 4.350 -0.112 0.000 0.195 264 E C 2.061 178.555 176.600 -0.177 0.000 0.991 264 E CA 1.055 57.400 56.400 -0.091 0.000 0.810 264 E CB 0.071 29.750 29.700 -0.035 0.000 0.742 264 E HN 0.149 nan 8.360 nan 0.000 0.466 265 R N 0.229 120.603 120.500 -0.211 0.000 2.066 265 R HA -0.093 4.179 4.340 -0.112 0.000 0.232 265 R C 2.355 178.500 176.300 -0.258 0.000 1.131 265 R CA 1.453 57.371 56.100 -0.304 0.000 0.955 265 R CB -0.142 29.863 30.300 -0.491 0.000 0.851 265 R HN 0.206 nan 8.270 nan 0.000 0.432 266 I N 0.213 120.659 120.570 -0.206 0.000 2.226 266 I HA -0.276 3.827 4.170 -0.112 0.000 0.245 266 I C 2.121 178.150 176.117 -0.147 0.000 1.100 266 I CA 1.214 62.423 61.300 -0.152 0.000 1.374 266 I CB -0.244 37.694 38.000 -0.103 0.000 1.057 266 I HN 0.202 nan 8.210 nan 0.000 0.413 267 I N 0.863 121.335 120.570 -0.163 0.000 2.163 267 I HA -0.306 3.796 4.170 -0.112 0.000 0.243 267 I C 2.437 178.355 176.117 -0.331 0.000 1.085 267 I CA 1.653 62.837 61.300 -0.193 0.000 1.347 267 I CB -0.336 37.556 38.000 -0.179 0.000 1.044 267 I HN 0.135 nan 8.210 nan 0.000 0.408 268 K N -0.084 120.058 120.400 -0.430 0.000 2.211 268 K HA -0.177 4.075 4.320 -0.112 0.000 0.203 268 K C 2.193 178.664 176.600 -0.216 0.000 1.050 268 K CA 0.827 56.841 56.287 -0.455 0.000 0.945 268 K CB -0.045 32.236 32.500 -0.366 0.000 0.732 268 K HN 0.058 nan 8.250 nan 0.000 0.451 269 R N 1.135 121.537 120.500 -0.163 0.000 2.080 269 R HA 0.089 4.362 4.340 -0.112 0.000 0.222 269 R C 1.919 178.157 176.300 -0.104 0.000 1.107 269 R CA 1.388 57.427 56.100 -0.101 0.000 0.980 269 R CB -0.626 29.623 30.300 -0.085 0.000 0.879 269 R HN 0.105 nan 8.270 nan 0.000 0.439 270 A N 0.741 123.489 122.820 -0.120 0.000 1.917 270 A HA -0.120 4.132 4.320 -0.112 0.000 0.219 270 A C 2.333 179.821 177.584 -0.160 0.000 1.182 270 A CA 1.958 53.913 52.037 -0.136 0.000 0.633 270 A CB -1.150 17.791 19.000 -0.099 0.000 0.819 270 A HN 0.467 nan 8.150 nan 0.000 0.448 271 A N -0.654 122.144 122.820 -0.036 0.000 2.076 271 A HA 0.005 4.258 4.320 -0.112 0.000 0.220 271 A C 1.950 179.618 177.584 0.141 0.000 1.160 271 A CA 1.363 53.509 52.037 0.182 0.000 0.653 271 A CB -0.546 18.551 19.000 0.162 0.000 0.801 271 A HN 0.497 nan 8.150 nan 0.000 0.455 272 L N -0.484 120.738 121.223 -0.001 0.000 2.552 272 L HA -0.036 4.237 4.340 -0.112 0.000 0.227 272 L C 1.897 178.731 176.870 -0.060 0.000 1.146 272 L CA 0.281 55.120 54.840 -0.000 0.000 0.858 272 L CB -0.192 41.859 42.059 -0.012 0.000 0.969 272 L HN 0.283 nan 8.230 nan 0.000 0.451 273 E N 0.113 120.192 120.200 -0.201 0.000 2.274 273 E HA -0.025 4.258 4.350 -0.112 0.000 0.194 273 E C 0.216 176.661 176.600 -0.259 0.000 0.996 273 E CA 0.412 56.648 56.400 -0.273 0.000 0.840 273 E CB 0.002 29.461 29.700 -0.401 0.000 0.772 273 E HN 0.238 nan 8.360 nan 0.000 0.491 274 F N 1.929 121.876 119.950 -0.006 0.000 2.495 274 F HA 0.135 4.594 4.527 -0.114 0.000 0.365 274 F C 1.074 176.860 175.800 -0.024 0.000 1.090 274 F CA 0.107 58.097 58.000 -0.016 0.000 1.235 274 F CB 0.510 39.499 39.000 -0.019 0.000 1.119 274 F HN -0.252 nan 8.300 nan 0.000 0.562 275 E N 0.499 120.790 120.200 0.152 0.000 2.281 275 E HA 0.216 4.499 4.350 -0.112 0.000 0.262 275 E C -1.395 175.218 176.600 0.021 0.000 0.933 275 E CA -1.172 55.267 56.400 0.065 0.000 0.809 275 E CB 1.398 31.120 29.700 0.036 0.000 1.242 275 E HN 0.426 nan 8.360 nan 0.000 0.418 276 D N -0.434 119.960 120.400 -0.010 0.000 2.383 276 D HA 0.266 4.838 4.640 -0.112 0.000 0.252 276 D C 0.653 176.908 176.300 -0.075 0.000 1.166 276 D CA 1.351 55.317 54.000 -0.055 0.000 0.879 276 D CB 0.514 41.290 40.800 -0.040 0.000 1.164 276 D HN 0.598 nan 8.370 nan 0.000 0.462 277 G N 3.442 112.152 108.800 -0.151 0.000 2.143 277 G HA2 -0.301 3.592 3.960 -0.112 0.000 0.249 277 G HA3 -0.301 3.592 3.960 -0.112 0.000 0.249 277 G C 0.428 175.184 174.900 -0.239 0.000 0.981 277 G CA 0.344 45.343 45.100 -0.170 0.000 0.665 277 G HN 0.599 nan 8.290 nan 0.000 0.528 278 M N 0.353 119.833 119.600 -0.199 0.000 2.242 278 M HA 0.635 5.047 4.480 -0.112 0.000 0.344 278 M C -0.375 175.781 176.300 -0.239 0.000 1.140 278 M CA -0.519 54.710 55.300 -0.118 0.000 1.160 278 M CB 0.450 33.067 32.600 0.028 0.000 1.491 278 M HN 0.101 nan 8.290 nan 0.000 0.459 279 Y N 3.166 123.542 120.300 0.126 0.000 2.335 279 Y HA 0.644 5.131 4.550 -0.104 0.000 0.339 279 Y C 0.011 175.980 175.900 0.115 0.000 0.987 279 Y CA -0.582 57.596 58.100 0.129 0.000 1.140 279 Y CB 1.317 39.838 38.460 0.101 0.000 1.173 279 Y HN 0.729 nan 8.280 nan 0.000 0.486 280 A N 3.531 126.501 122.820 0.251 0.000 2.414 280 A HA 0.538 4.790 4.320 -0.112 0.000 0.306 280 A C -1.197 176.491 177.584 0.173 0.000 1.054 280 A CA -0.901 51.262 52.037 0.210 0.000 0.724 280 A CB 1.387 20.556 19.000 0.282 0.000 1.267 280 A HN 0.691 nan 8.150 nan 0.000 0.418 281 N N 2.490 121.273 118.700 0.139 0.000 2.443 281 N HA 0.501 5.174 4.740 -0.112 0.000 0.269 281 N C -1.565 174.012 175.510 0.110 0.000 0.985 281 N CA -0.187 52.928 53.050 0.108 0.000 0.921 281 N CB 0.844 39.381 38.487 0.083 0.000 1.195 281 N HN 0.619 nan 8.380 nan 0.000 0.492 282 L N 2.173 123.464 121.223 0.113 0.000 2.307 282 L HA 0.529 4.801 4.340 -0.112 0.000 0.284 282 L C 1.272 178.199 176.870 0.095 0.000 1.023 282 L CA -1.016 53.896 54.840 0.120 0.000 0.810 282 L CB 1.744 43.900 42.059 0.162 0.000 1.231 282 L HN 0.452 nan 8.230 nan 0.000 0.423 283 G N 2.277 111.130 108.800 0.087 0.000 2.562 283 G HA2 0.476 4.369 3.960 -0.112 0.000 0.275 283 G HA3 0.476 4.369 3.960 -0.112 0.000 0.275 283 G C 0.031 174.981 174.900 0.084 0.000 1.196 283 G CA -0.789 44.359 45.100 0.080 0.000 0.908 283 G HN 0.682 nan 8.290 nan 0.000 0.524 284 I N -0.485 120.134 120.570 0.081 0.000 2.815 284 I HA 0.447 4.549 4.170 -0.112 0.000 0.291 284 I C 1.103 177.272 176.117 0.086 0.000 1.209 284 I CA 0.509 61.862 61.300 0.088 0.000 1.431 284 I CB -0.025 38.025 38.000 0.083 0.000 1.351 284 I HN 1.221 nan 8.210 nan 0.000 0.585 285 G N 4.282 113.138 108.800 0.094 0.000 2.603 285 G HA2 -0.273 3.620 3.960 -0.112 0.000 0.245 285 G HA3 -0.273 3.620 3.960 -0.112 0.000 0.245 285 G C 0.421 175.372 174.900 0.085 0.000 1.195 285 G CA 0.069 45.219 45.100 0.085 0.000 0.953 285 G HN 0.719 nan 8.290 nan 0.000 0.566 286 I N 2.781 123.390 120.570 0.066 0.000 2.163 286 I HA -0.120 3.982 4.170 -0.112 0.000 0.243 286 I C 0.101 176.264 176.117 0.075 0.000 1.085 286 I CA 2.378 63.712 61.300 0.056 0.000 1.347 286 I CB -1.016 36.998 38.000 0.023 0.000 1.044 286 I HN 0.338 nan 8.210 nan 0.000 0.408 287 P HA -0.188 nan 4.420 nan 0.000 0.215 287 P C 1.823 179.222 177.300 0.166 0.000 1.157 287 P CA 1.208 64.369 63.100 0.102 0.000 0.868 287 P CB 0.000 31.750 31.700 0.082 0.000 0.788 288 L N -0.999 120.303 121.223 0.132 0.000 2.093 288 L HA -0.083 4.190 4.340 -0.112 0.000 0.208 288 L C 2.163 179.101 176.870 0.113 0.000 1.085 288 L CA 1.646 56.554 54.840 0.113 0.000 0.755 288 L CB -1.395 40.717 42.059 0.089 0.000 0.904 288 L HN -0.131 nan 8.230 nan 0.000 0.435 289 L N -0.681 120.624 121.223 0.136 0.000 2.131 289 L HA -0.152 4.121 4.340 -0.112 0.000 0.210 289 L C 2.576 179.604 176.870 0.264 0.000 1.092 289 L CA 0.981 55.923 54.840 0.171 0.000 0.759 289 L CB -0.848 41.311 42.059 0.168 0.000 0.903 289 L HN 0.356 nan 8.230 nan 0.000 0.435 290 A N 0.052 123.024 122.820 0.252 0.000 2.070 290 A HA -0.192 4.061 4.320 -0.112 0.000 0.220 290 A C 2.488 180.319 177.584 0.412 0.000 1.159 290 A CA 1.692 53.932 52.037 0.338 0.000 0.656 290 A CB -0.540 18.634 19.000 0.289 0.000 0.800 290 A HN 0.532 nan 8.150 nan 0.000 0.453 291 S N 0.480 116.298 115.700 0.196 0.000 2.447 291 S HA -0.143 4.260 4.470 -0.112 0.000 0.233 291 S C 1.504 176.031 174.600 -0.122 0.000 1.006 291 S CA 1.056 59.148 58.200 -0.180 0.000 0.957 291 S CB -0.579 62.491 63.200 -0.216 0.000 0.773 291 S HN 0.585 nan 8.310 nan 0.000 0.507 292 N N 1.388 120.093 118.700 0.009 0.000 2.289 292 N HA 0.026 4.699 4.740 -0.112 0.000 0.184 292 N C 0.824 176.224 175.510 -0.183 0.000 1.016 292 N CA 1.078 54.060 53.050 -0.114 0.000 0.872 292 N CB -0.568 37.822 38.487 -0.161 0.000 0.973 292 N HN 0.571 nan 8.380 nan 0.000 0.433 293 F N 0.899 120.829 119.950 -0.033 0.000 2.797 293 F HA 0.271 4.730 4.527 -0.113 0.000 0.302 293 F C 0.931 176.717 175.800 -0.023 0.000 1.130 293 F CA -0.339 57.658 58.000 -0.005 0.000 1.387 293 F CB -0.023 39.002 39.000 0.042 0.000 1.107 293 F HN -0.167 nan 8.300 nan 0.000 0.577 294 I N 0.227 120.816 120.570 0.033 0.000 2.710 294 I HA -0.090 4.013 4.170 -0.112 0.000 0.286 294 I C 1.065 177.150 176.117 -0.053 0.000 1.181 294 I CA 0.012 61.275 61.300 -0.061 0.000 1.430 294 I CB 0.518 38.343 38.000 -0.292 0.000 1.367 294 I HN -0.068 nan 8.210 nan 0.000 0.577 295 S N 7.128 122.813 115.700 -0.024 0.000 2.562 295 S HA 0.154 4.557 4.470 -0.112 0.000 0.281 295 S C -1.367 173.197 174.600 -0.061 0.000 1.333 295 S CA -1.112 57.071 58.200 -0.029 0.000 1.052 295 S CB 0.905 64.101 63.200 -0.008 0.000 0.884 295 S HN 0.379 nan 8.310 nan 0.000 0.506 296 P HA -0.041 nan 4.420 nan 0.000 0.218 296 P C 0.764 178.028 177.300 -0.059 0.000 1.149 296 P CA 0.920 63.981 63.100 -0.065 0.000 0.817 296 P CB 0.028 31.697 31.700 -0.052 0.000 0.785 297 N N -1.123 117.550 118.700 -0.045 0.000 2.459 297 N HA -0.030 4.643 4.740 -0.112 0.000 0.181 297 N C 0.823 176.303 175.510 -0.051 0.000 1.046 297 N CA 0.452 53.478 53.050 -0.040 0.000 0.904 297 N CB -0.205 38.267 38.487 -0.025 0.000 0.964 297 N HN 0.292 nan 8.380 nan 0.000 0.444 298 M N 1.036 120.598 119.600 -0.063 0.000 2.188 298 M HA 0.130 4.543 4.480 -0.112 0.000 0.357 298 M C -0.844 175.375 176.300 -0.136 0.000 1.204 298 M CA -0.069 55.182 55.300 -0.081 0.000 1.095 298 M CB 0.956 33.520 32.600 -0.060 0.000 1.604 298 M HN -0.207 nan 8.290 nan 0.000 0.464 299 T N 4.603 119.054 114.554 -0.171 0.000 2.753 299 T HA 0.508 4.791 4.350 -0.112 0.000 0.297 299 T C -0.774 173.675 174.700 -0.419 0.000 0.981 299 T CA -0.539 61.389 62.100 -0.288 0.000 0.956 299 T CB 0.604 69.310 68.868 -0.270 0.000 0.936 299 T HN 0.474 nan 8.240 nan 0.000 0.463 300 V N 5.116 124.759 119.914 -0.452 0.000 2.444 300 V HA 0.315 4.368 4.120 -0.112 0.000 0.294 300 V C -0.454 175.368 176.094 -0.454 0.000 1.022 300 V CA -1.014 61.031 62.300 -0.425 0.000 0.850 300 V CB 1.304 32.943 31.823 -0.306 0.000 0.992 300 V HN 0.830 nan 8.190 nan 0.000 0.426 301 H N 5.532 124.495 119.070 -0.178 0.000 2.594 301 H HA 0.472 4.961 4.556 -0.111 0.000 0.304 301 H C -0.464 174.878 175.328 0.023 0.000 1.068 301 H CA -0.299 55.699 56.048 -0.083 0.000 1.308 301 H CB 1.456 31.172 29.762 -0.077 0.000 1.409 301 H HN 0.429 nan 8.280 nan 0.000 0.460 302 L N 3.084 124.372 121.223 0.108 0.000 2.289 302 L HA 0.224 4.497 4.340 -0.112 0.000 0.285 302 L C 0.646 177.574 176.870 0.097 0.000 1.049 302 L CA -0.455 54.436 54.840 0.085 0.000 0.804 302 L CB 1.385 43.449 42.059 0.008 0.000 1.195 302 L HN 0.409 nan 8.230 nan 0.000 0.428 303 Q N 2.164 122.030 119.800 0.110 0.000 2.245 303 Q HA 0.387 4.660 4.340 -0.112 0.000 0.256 303 Q C -1.234 174.779 176.000 0.022 0.000 0.942 303 Q CA -0.130 55.725 55.803 0.088 0.000 0.896 303 Q CB 2.229 31.032 28.738 0.109 0.000 1.272 303 Q HN 0.597 nan 8.270 nan 0.000 0.442 304 S N 1.503 117.180 115.700 -0.038 0.000 2.502 304 S HA 0.158 4.561 4.470 -0.112 0.000 0.304 304 S C 0.751 175.234 174.600 -0.196 0.000 1.097 304 S CA -0.517 57.622 58.200 -0.102 0.000 1.045 304 S CB 0.958 64.082 63.200 -0.126 0.000 1.019 304 S HN 0.694 nan 8.310 nan 0.000 0.481 305 E N 3.542 123.613 120.200 -0.216 0.000 2.204 305 E HA -0.175 4.108 4.350 -0.112 0.000 0.194 305 E C 0.990 177.304 176.600 -0.477 0.000 0.989 305 E CA 1.084 57.248 56.400 -0.394 0.000 0.824 305 E CB -0.455 29.100 29.700 -0.241 0.000 0.756 305 E HN 0.721 nan 8.360 nan 0.000 0.477 306 N N 1.487 119.844 118.700 -0.572 0.000 2.609 306 N HA -0.061 4.612 4.740 -0.112 0.000 0.190 306 N C 0.889 176.051 175.510 -0.580 0.000 1.157 306 N CA 1.183 53.713 53.050 -0.867 0.000 0.918 306 N CB 0.257 37.731 38.487 -1.689 0.000 0.978 306 N HN 0.358 nan 8.380 nan 0.000 0.448 307 G N 0.101 108.578 108.800 -0.538 0.000 2.468 307 G HA2 -0.059 3.834 3.960 -0.112 0.000 0.143 307 G HA3 -0.059 3.834 3.960 -0.112 0.000 0.143 307 G C -0.697 173.471 174.900 -1.220 0.000 1.065 307 G CA -0.339 44.282 45.100 -0.798 0.000 0.776 307 G HN 0.308 nan 8.290 nan 0.000 0.486 308 I N -0.234 119.807 120.570 -0.883 0.000 2.647 308 I HA 0.676 4.779 4.170 -0.112 0.000 0.295 308 I C -0.611 175.323 176.117 -0.304 0.000 1.078 308 I CA -1.341 59.575 61.300 -0.639 0.000 1.048 308 I CB 2.170 39.998 38.000 -0.288 0.000 1.239 308 I HN 0.097 nan 8.210 nan 0.000 0.421 309 L N 4.836 125.973 121.223 -0.143 0.000 2.356 309 L HA 0.832 5.105 4.340 -0.112 0.000 0.277 309 L C 0.282 177.125 176.870 -0.045 0.000 0.996 309 L CA 0.280 55.158 54.840 0.064 0.000 0.822 309 L CB 1.613 43.801 42.059 0.215 0.000 1.256 309 L HN 0.832 nan 8.230 nan 0.000 0.413 310 G N 4.458 113.263 108.800 0.008 0.000 2.237 310 G HA2 -0.146 3.747 3.960 -0.112 0.000 0.153 310 G HA3 -0.146 3.747 3.960 -0.112 0.000 0.153 310 G C -0.169 174.705 174.900 -0.043 0.000 1.039 310 G CA -0.230 44.873 45.100 0.006 0.000 0.719 310 G HN 0.617 nan 8.290 nan 0.000 0.491 311 L N 0.501 121.698 121.223 -0.044 0.000 2.525 311 L HA 0.420 4.693 4.340 -0.112 0.000 0.278 311 L C 1.518 178.345 176.870 -0.073 0.000 1.218 311 L CA 0.957 55.760 54.840 -0.061 0.000 0.878 311 L CB 0.521 42.547 42.059 -0.056 0.000 1.127 311 L HN 0.369 nan 8.230 nan 0.000 0.492 312 G N 3.571 112.325 108.800 -0.077 0.000 2.828 312 G HA2 0.628 4.521 3.960 -0.112 0.000 0.244 312 G HA3 0.628 4.521 3.960 -0.112 0.000 0.244 312 G C -2.620 172.199 174.900 -0.136 0.000 1.365 312 G CA -0.715 44.330 45.100 -0.092 0.000 1.041 312 G HN 0.437 nan 8.290 nan 0.000 0.560 313 P HA 0.242 nan 4.420 nan 0.000 0.279 313 P C -1.006 176.214 177.300 -0.133 0.000 1.282 313 P CA -0.517 62.465 63.100 -0.197 0.000 0.788 313 P CB 0.472 32.102 31.700 -0.118 0.000 1.139 314 Y N -0.017 120.279 120.300 -0.008 0.000 2.578 314 Y HA 0.125 4.607 4.550 -0.113 0.000 0.339 314 Y C -1.328 174.570 175.900 -0.003 0.000 1.231 314 Y CA -1.770 56.330 58.100 0.000 0.000 1.461 314 Y CB -1.201 37.261 38.460 0.004 0.000 1.323 314 Y HN 0.285 nan 8.280 nan 0.000 0.590 315 P HA 0.137 nan 4.420 nan 0.000 0.274 315 P C -0.522 176.819 177.300 0.070 0.000 1.231 315 P CA -0.243 62.911 63.100 0.090 0.000 0.790 315 P CB 1.023 32.766 31.700 0.070 0.000 0.951 316 L N 1.568 122.818 121.223 0.044 0.000 2.476 316 L HA 0.029 4.302 4.340 -0.112 0.000 0.264 316 L C 2.408 179.291 176.870 0.022 0.000 1.224 316 L CA -0.103 54.754 54.840 0.029 0.000 0.821 316 L CB -0.165 41.906 42.059 0.020 0.000 1.101 316 L HN 0.381 nan 8.230 nan 0.000 0.488 317 Q N 1.645 121.453 119.800 0.014 0.000 2.133 317 Q HA -0.257 4.016 4.340 -0.112 0.000 0.208 317 Q C 1.696 177.702 176.000 0.009 0.000 0.991 317 Q CA 2.392 58.201 55.803 0.009 0.000 0.867 317 Q CB -0.178 28.563 28.738 0.005 0.000 0.911 317 Q HN 0.734 nan 8.270 nan 0.000 0.417 318 N N -0.787 117.919 118.700 0.010 0.000 2.463 318 N HA -0.113 4.560 4.740 -0.112 0.000 0.181 318 N C 0.623 176.140 175.510 0.011 0.000 1.078 318 N CA 0.776 53.832 53.050 0.010 0.000 0.902 318 N CB 0.027 38.519 38.487 0.009 0.000 0.970 318 N HN 0.390 nan 8.380 nan 0.000 0.451 319 E N 0.377 120.586 120.200 0.015 0.000 2.474 319 E HA 0.119 4.401 4.350 -0.112 0.000 0.194 319 E C -0.045 176.566 176.600 0.018 0.000 1.041 319 E CA -0.228 56.183 56.400 0.017 0.000 0.874 319 E CB 0.740 30.454 29.700 0.023 0.000 0.914 319 E HN 0.089 nan 8.360 nan 0.000 0.498 320 V N 2.225 122.150 119.914 0.017 0.000 2.763 320 V HA -0.009 4.044 4.120 -0.112 0.000 0.306 320 V C 0.119 176.217 176.094 0.007 0.000 1.059 320 V CA 0.529 62.839 62.300 0.017 0.000 1.138 320 V CB 0.819 32.649 31.823 0.012 0.000 0.940 320 V HN 0.126 nan 8.190 nan 0.000 0.489 321 D N 2.315 122.719 120.400 0.007 0.000 2.966 321 D HA 0.473 5.046 4.640 -0.112 0.000 0.222 321 D C 0.403 176.700 176.300 -0.006 0.000 1.292 321 D CA -0.027 53.967 54.000 -0.011 0.000 0.907 321 D CB 2.265 43.048 40.800 -0.029 0.000 1.621 321 D HN 0.476 nan 8.370 nan 0.000 0.557 322 A N 2.940 125.754 122.820 -0.010 0.000 2.067 322 A HA -0.098 4.155 4.320 -0.112 0.000 0.219 322 A C 1.201 178.785 177.584 0.000 0.000 1.158 322 A CA 1.150 53.193 52.037 0.009 0.000 0.661 322 A CB 0.043 19.055 19.000 0.020 0.000 0.801 322 A HN 0.482 nan 8.150 nan 0.000 0.452 323 D N -1.434 118.935 120.400 -0.052 0.000 2.340 323 D HA 0.163 4.736 4.640 -0.112 0.000 0.220 323 D C -0.266 175.971 176.300 -0.105 0.000 1.039 323 D CA 0.359 54.300 54.000 -0.097 0.000 0.866 323 D CB 0.420 41.101 40.800 -0.198 0.000 0.913 323 D HN 0.284 nan 8.370 nan 0.000 0.523 324 L N 1.763 122.959 121.223 -0.045 0.000 2.417 324 L HA 0.392 4.665 4.340 -0.112 0.000 0.259 324 L C -0.814 176.083 176.870 0.045 0.000 1.023 324 L CA -0.782 54.053 54.840 -0.009 0.000 0.901 324 L CB 0.359 42.425 42.059 0.010 0.000 1.227 324 L HN -0.073 nan 8.230 nan 0.000 0.454 325 I N 1.087 121.695 120.570 0.063 0.000 2.892 325 I HA 0.725 4.828 4.170 -0.112 0.000 0.306 325 I C -0.510 175.667 176.117 0.100 0.000 1.078 325 I CA -0.869 60.498 61.300 0.110 0.000 1.032 325 I CB 2.097 40.193 38.000 0.159 0.000 1.229 325 I HN 0.545 nan 8.210 nan 0.000 0.435 326 N N 3.112 121.891 118.700 0.132 0.000 2.448 326 N HA 0.371 5.044 4.740 -0.112 0.000 0.274 326 N C 0.786 176.407 175.510 0.185 0.000 1.239 326 N CA -0.114 52.999 53.050 0.105 0.000 0.982 326 N CB 0.713 39.264 38.487 0.107 0.000 1.199 326 N HN 0.834 nan 8.380 nan 0.000 0.576 327 A N -0.851 122.054 122.820 0.142 0.000 2.024 327 A HA 0.032 4.285 4.320 -0.112 0.000 0.220 327 A C 1.786 179.530 177.584 0.267 0.000 1.164 327 A CA 1.634 53.823 52.037 0.254 0.000 0.643 327 A CB -1.491 17.593 19.000 0.141 0.000 0.806 327 A HN 0.821 nan 8.150 nan 0.000 0.451 328 G N -1.680 107.227 108.800 0.178 0.000 3.026 328 G HA2 0.225 4.118 3.960 -0.112 0.000 0.208 328 G HA3 0.225 4.118 3.960 -0.112 0.000 0.208 328 G C 0.668 175.655 174.900 0.146 0.000 1.169 328 G CA 0.556 45.735 45.100 0.131 0.000 0.788 328 G HN 0.357 nan 8.290 nan 0.000 0.533 329 K N -0.543 119.979 120.400 0.203 0.000 3.446 329 K HA -0.164 4.089 4.320 -0.112 0.000 0.312 329 K C -0.030 176.653 176.600 0.140 0.000 1.329 329 K CA 0.964 57.355 56.287 0.174 0.000 0.935 329 K CB -1.776 30.788 32.500 0.107 0.000 1.281 329 K HN 0.642 nan 8.250 nan 0.000 0.457 330 E N 1.617 121.905 120.200 0.146 0.000 2.301 330 E HA 0.188 4.471 4.350 -0.112 0.000 0.275 330 E C 0.396 177.079 176.600 0.137 0.000 1.030 330 E CA -0.154 56.315 56.400 0.115 0.000 0.852 330 E CB 0.671 30.458 29.700 0.145 0.000 1.060 330 E HN 0.227 nan 8.360 nan 0.000 0.401 331 T N -0.639 113.970 114.554 0.092 0.000 2.902 331 T HA 0.290 4.573 4.350 -0.112 0.000 0.301 331 T C 0.361 175.175 174.700 0.190 0.000 1.012 331 T CA -0.783 61.380 62.100 0.104 0.000 1.151 331 T CB 0.251 69.154 68.868 0.058 0.000 0.946 331 T HN 0.315 nan 8.240 nan 0.000 0.542 332 V N -0.181 119.827 119.914 0.157 0.000 3.105 332 V HA 0.974 5.027 4.120 -0.112 0.000 0.311 332 V C 0.075 176.222 176.094 0.088 0.000 1.287 332 V CA -0.628 61.767 62.300 0.158 0.000 1.066 332 V CB 1.480 33.364 31.823 0.102 0.000 1.105 332 V HN 1.268 nan 8.190 nan 0.000 0.462 333 T N -1.024 113.559 114.554 0.048 0.000 2.883 333 T HA 0.877 5.160 4.350 -0.112 0.000 0.284 333 T C -0.378 174.324 174.700 0.002 0.000 1.041 333 T CA -0.148 61.970 62.100 0.029 0.000 1.007 333 T CB 1.549 70.427 68.868 0.018 0.000 1.220 333 T HN 2.135 nan 8.240 nan 0.000 0.552 334 V N -0.652 119.260 119.914 -0.003 0.000 2.823 334 V HA 0.726 4.779 4.120 -0.112 0.000 0.312 334 V C -0.293 175.777 176.094 -0.040 0.000 1.072 334 V CA -1.285 60.990 62.300 -0.043 0.000 0.937 334 V CB 1.093 32.862 31.823 -0.091 0.000 1.013 334 V HN 1.004 nan 8.190 nan 0.000 0.430 335 L N 2.214 123.409 121.223 -0.047 0.000 2.479 335 L HA 0.513 4.786 4.340 -0.112 0.000 0.249 335 L C -2.043 174.810 176.870 -0.028 0.000 1.178 335 L CA -1.698 53.123 54.840 -0.032 0.000 0.811 335 L CB 0.741 42.786 42.059 -0.024 0.000 1.187 335 L HN 0.467 nan 8.230 nan 0.000 0.480 336 P HA 0.125 nan 4.420 nan 0.000 0.268 336 P C 0.434 177.728 177.300 -0.010 0.000 1.205 336 P CA 0.394 63.487 63.100 -0.011 0.000 0.771 336 P CB 0.702 32.401 31.700 -0.002 0.000 0.858 337 G N 1.038 109.824 108.800 -0.023 0.000 2.157 337 G HA2 -0.108 3.785 3.960 -0.112 0.000 0.248 337 G HA3 -0.108 3.785 3.960 -0.112 0.000 0.248 337 G C 0.442 175.301 174.900 -0.068 0.000 0.979 337 G CA -0.043 45.036 45.100 -0.034 0.000 0.650 337 G HN 0.846 nan 8.290 nan 0.000 0.529 338 A N -0.221 122.540 122.820 -0.099 0.000 2.346 338 A HA 0.832 5.084 4.320 -0.112 0.000 0.252 338 A C 0.836 178.276 177.584 -0.239 0.000 1.089 338 A CA 1.023 52.952 52.037 -0.180 0.000 0.797 338 A CB 0.585 19.429 19.000 -0.260 0.000 1.047 338 A HN 1.995 nan 8.150 nan 0.000 0.494 339 S N -0.977 114.547 115.700 -0.294 0.000 2.627 339 S HA 0.783 5.186 4.470 -0.112 0.000 0.283 339 S C -1.337 172.985 174.600 -0.464 0.000 1.127 339 S CA -0.642 57.411 58.200 -0.243 0.000 0.863 339 S CB 0.942 64.146 63.200 0.008 0.000 1.121 339 S HN 0.541 nan 8.310 nan 0.000 0.479 340 Y N 0.511 120.747 120.300 -0.107 0.000 2.485 340 Y HA 0.809 5.289 4.550 -0.117 0.000 0.345 340 Y C -0.382 175.369 175.900 -0.249 0.000 0.998 340 Y CA -1.095 56.784 58.100 -0.369 0.000 1.059 340 Y CB 1.676 39.978 38.460 -0.263 0.000 1.234 340 Y HN 0.881 nan 8.280 nan 0.000 0.461 341 F N -1.945 117.974 119.950 -0.052 0.000 2.741 341 F HA 0.712 5.173 4.527 -0.112 0.000 0.313 341 F C -0.313 175.350 175.800 -0.229 0.000 1.153 341 F CA -1.649 56.252 58.000 -0.165 0.000 0.931 341 F CB 0.474 39.368 39.000 -0.177 0.000 1.335 341 F HN 0.360 nan 8.300 nan 0.000 0.460 342 S N -0.066 115.610 115.700 -0.041 0.000 2.617 342 S HA 0.307 4.710 4.470 -0.112 0.000 0.259 342 S C 0.636 175.132 174.600 -0.172 0.000 1.301 342 S CA 0.105 58.186 58.200 -0.199 0.000 0.984 342 S CB 1.117 64.174 63.200 -0.238 0.000 0.954 342 S HN 0.682 nan 8.310 nan 0.000 0.572 343 S N 1.427 116.928 115.700 -0.333 0.000 2.357 343 S HA -0.108 4.295 4.470 -0.112 0.000 0.221 343 S C 1.799 176.281 174.600 -0.198 0.000 1.031 343 S CA 1.105 59.072 58.200 -0.389 0.000 0.982 343 S CB -0.764 61.863 63.200 -0.955 0.000 0.853 343 S HN 0.929 nan 8.310 nan 0.000 0.458 344 D N 1.701 121.968 120.400 -0.223 0.000 2.149 344 D HA -0.226 4.347 4.640 -0.112 0.000 0.194 344 D C 1.737 177.995 176.300 -0.071 0.000 1.001 344 D CA 1.525 55.461 54.000 -0.107 0.000 0.849 344 D CB -0.503 40.212 40.800 -0.142 0.000 0.939 344 D HN 0.395 nan 8.370 nan 0.000 0.449 345 E N 0.818 120.956 120.200 -0.103 0.000 2.107 345 E HA -0.117 4.165 4.350 -0.112 0.000 0.191 345 E C 2.077 178.573 176.600 -0.173 0.000 0.982 345 E CA 1.355 57.672 56.400 -0.137 0.000 0.809 345 E CB -0.439 29.178 29.700 -0.137 0.000 0.756 345 E HN 0.171 nan 8.360 nan 0.000 0.459 346 S N -1.276 114.380 115.700 -0.074 0.000 2.382 346 S HA -0.094 4.309 4.470 -0.112 0.000 0.228 346 S C 1.453 175.868 174.600 -0.309 0.000 1.027 346 S CA 1.109 59.229 58.200 -0.134 0.000 0.991 346 S CB -0.383 62.697 63.200 -0.200 0.000 0.823 346 S HN 0.357 nan 8.310 nan 0.000 0.469 347 F N 1.379 121.304 119.950 -0.040 0.000 2.664 347 F HA 0.407 4.855 4.527 -0.131 0.000 0.296 347 F C 2.293 178.074 175.800 -0.033 0.000 1.125 347 F CA 0.203 58.189 58.000 -0.023 0.000 1.444 347 F CB -0.669 38.322 39.000 -0.014 0.000 1.114 347 F HN 0.240 nan 8.300 nan 0.000 0.576 348 A N 0.042 122.900 122.820 0.064 0.000 1.877 348 A HA -0.226 4.027 4.320 -0.112 0.000 0.216 348 A C 2.294 179.906 177.584 0.047 0.000 1.186 348 A CA 1.668 53.714 52.037 0.015 0.000 0.620 348 A CB -0.747 18.217 19.000 -0.061 0.000 0.822 348 A HN 0.353 nan 8.150 nan 0.000 0.443 349 M N -0.586 118.989 119.600 -0.042 0.000 2.082 349 M HA -0.183 4.230 4.480 -0.112 0.000 0.258 349 M C 2.052 178.404 176.300 0.087 0.000 1.071 349 M CA 2.070 57.357 55.300 -0.021 0.000 1.103 349 M CB -0.332 32.114 32.600 -0.257 0.000 1.307 349 M HN 0.470 nan 8.290 nan 0.000 0.409 350 I N -0.984 119.611 120.570 0.043 0.000 2.163 350 I HA -0.304 3.799 4.170 -0.112 0.000 0.240 350 I C 2.607 178.789 176.117 0.108 0.000 1.081 350 I CA 1.284 62.636 61.300 0.087 0.000 1.353 350 I CB -0.520 37.565 38.000 0.142 0.000 1.054 350 I HN 0.322 nan 8.210 nan 0.000 0.407 351 R N 0.992 121.579 120.500 0.146 0.000 2.152 351 R HA -0.133 4.139 4.340 -0.112 0.000 0.232 351 R C 2.024 178.355 176.300 0.051 0.000 1.117 351 R CA 1.420 57.591 56.100 0.118 0.000 0.981 351 R CB -0.343 30.040 30.300 0.138 0.000 0.870 351 R HN 0.442 nan 8.270 nan 0.000 0.451 352 G N -1.132 107.674 108.800 0.009 0.000 2.920 352 G HA2 0.074 3.967 3.960 -0.112 0.000 0.208 352 G HA3 0.074 3.967 3.960 -0.112 0.000 0.208 352 G C 0.767 175.474 174.900 -0.322 0.000 1.159 352 G CA 0.389 45.405 45.100 -0.140 0.000 0.784 352 G HN 0.512 nan 8.290 nan 0.000 0.535 353 G N -0.160 108.534 108.800 -0.177 0.000 2.160 353 G HA2 -0.269 3.623 3.960 -0.112 0.000 0.244 353 G HA3 -0.269 3.623 3.960 -0.112 0.000 0.244 353 G C 0.824 175.606 174.900 -0.197 0.000 1.022 353 G CA 0.497 45.506 45.100 -0.151 0.000 0.741 353 G HN 0.554 nan 8.290 nan 0.000 0.508 354 H N -1.029 118.016 119.070 -0.043 0.000 2.482 354 H HA 0.133 4.617 4.556 -0.119 0.000 0.286 354 H C 1.584 176.871 175.328 -0.068 0.000 1.017 354 H CA 1.099 57.094 56.048 -0.089 0.000 1.322 354 H CB 0.304 29.965 29.762 -0.168 0.000 1.426 354 H HN 0.339 nan 8.280 nan 0.000 0.546 355 V N 2.603 122.566 119.914 0.082 0.000 2.488 355 V HA -0.019 4.033 4.120 -0.112 0.000 0.277 355 V C 0.845 177.011 176.094 0.120 0.000 1.046 355 V CA 0.030 62.397 62.300 0.113 0.000 0.986 355 V CB 1.139 33.020 31.823 0.097 0.000 0.989 355 V HN 0.367 nan 8.190 nan 0.000 0.475 356 N N 3.082 121.886 118.700 0.175 0.000 2.171 356 N HA 0.030 4.702 4.740 -0.112 0.000 0.184 356 N C 0.094 175.657 175.510 0.088 0.000 1.021 356 N CA 0.592 53.721 53.050 0.132 0.000 0.854 356 N CB 0.159 38.740 38.487 0.157 0.000 0.994 356 N HN 0.519 nan 8.380 nan 0.000 0.426 357 L N 0.449 121.728 121.223 0.094 0.000 2.439 357 L HA 0.394 4.666 4.340 -0.112 0.000 0.270 357 L C -1.332 175.577 176.870 0.064 0.000 0.972 357 L CA -0.326 54.546 54.840 0.054 0.000 0.836 357 L CB 2.089 44.160 42.059 0.020 0.000 1.255 357 L HN -0.209 nan 8.230 nan 0.000 0.404 358 T N 6.025 120.608 114.554 0.049 0.000 2.771 358 T HA 0.584 4.867 4.350 -0.112 0.000 0.281 358 T C -0.527 174.191 174.700 0.031 0.000 0.982 358 T CA -0.123 62.010 62.100 0.055 0.000 0.978 358 T CB 0.997 69.903 68.868 0.064 0.000 0.930 358 T HN 0.654 nan 8.240 nan 0.000 0.447 359 M N 5.394 125.014 119.600 0.034 0.000 2.142 359 M HA 0.564 4.977 4.480 -0.112 0.000 0.299 359 M C -1.969 174.354 176.300 0.038 0.000 0.960 359 M CA -0.877 54.429 55.300 0.010 0.000 0.920 359 M CB 0.539 33.117 32.600 -0.036 0.000 1.541 359 M HN 0.517 nan 8.290 nan 0.000 0.429 360 L N 2.951 124.195 121.223 0.036 0.000 2.359 360 L HA 1.046 5.318 4.340 -0.112 0.000 0.256 360 L C 0.049 176.944 176.870 0.041 0.000 1.026 360 L CA -0.748 54.122 54.840 0.049 0.000 0.828 360 L CB 0.447 42.544 42.059 0.063 0.000 1.406 360 L HN 0.559 nan 8.230 nan 0.000 0.413 361 G N -0.824 108.006 108.800 0.049 0.000 2.616 361 G HA2 0.709 4.602 3.960 -0.112 0.000 0.268 361 G HA3 0.709 4.602 3.960 -0.112 0.000 0.268 361 G C -0.901 174.026 174.900 0.045 0.000 1.213 361 G CA 0.023 45.148 45.100 0.042 0.000 0.926 361 G HN 1.161 nan 8.290 nan 0.000 0.523 362 A N -0.176 122.664 122.820 0.034 0.000 2.594 362 A HA 0.613 4.865 4.320 -0.112 0.000 0.295 362 A C 0.478 178.075 177.584 0.022 0.000 1.071 362 A CA -0.594 51.463 52.037 0.034 0.000 0.685 362 A CB 1.294 20.306 19.000 0.021 0.000 1.285 362 A HN 0.562 nan 8.150 nan 0.000 0.405 363 M N -0.260 119.352 119.600 0.022 0.000 2.429 363 M HA 0.153 4.565 4.480 -0.112 0.000 0.265 363 M C 0.265 176.561 176.300 -0.006 0.000 1.120 363 M CA 1.229 56.532 55.300 0.006 0.000 1.173 363 M CB 0.235 32.834 32.600 -0.001 0.000 1.343 363 M HN 0.708 nan 8.290 nan 0.000 0.464 364 Q N 0.316 120.112 119.800 -0.006 0.000 2.309 364 Q HA 0.557 4.830 4.340 -0.112 0.000 0.273 364 Q C -1.580 174.406 176.000 -0.024 0.000 1.040 364 Q CA -0.546 55.245 55.803 -0.020 0.000 0.834 364 Q CB 3.674 32.402 28.738 -0.017 0.000 1.345 364 Q HN -0.019 nan 8.270 nan 0.000 0.414 365 V N 1.288 121.168 119.914 -0.056 0.000 2.680 365 V HA 0.559 4.612 4.120 -0.112 0.000 0.309 365 V C -0.038 176.000 176.094 -0.095 0.000 1.052 365 V CA -0.627 61.634 62.300 -0.064 0.000 0.908 365 V CB 1.841 33.613 31.823 -0.085 0.000 1.001 365 V HN 0.910 nan 8.190 nan 0.000 0.431 366 S N 3.133 118.789 115.700 -0.074 0.000 2.730 366 S HA 0.394 4.796 4.470 -0.112 0.000 0.284 366 S C 1.064 175.567 174.600 -0.161 0.000 1.153 366 S CA -0.259 57.882 58.200 -0.099 0.000 0.995 366 S CB 1.346 64.522 63.200 -0.040 0.000 1.058 366 S HN 0.734 nan 8.310 nan 0.000 0.552 367 K N -0.444 119.806 120.400 -0.251 0.000 2.113 367 K HA -0.141 4.112 4.320 -0.112 0.000 0.208 367 K C 0.559 176.899 176.600 -0.433 0.000 1.047 367 K CA 1.708 57.737 56.287 -0.430 0.000 0.928 367 K CB -0.327 31.781 32.500 -0.653 0.000 0.716 367 K HN 0.773 nan 8.250 nan 0.000 0.446 368 Y N -1.007 119.273 120.300 -0.033 0.000 2.485 368 Y HA 0.274 4.756 4.550 -0.112 0.000 0.260 368 Y C 1.062 176.957 175.900 -0.009 0.000 1.173 368 Y CA 0.086 58.178 58.100 -0.014 0.000 1.252 368 Y CB 1.201 39.660 38.460 -0.003 0.000 1.123 368 Y HN 0.286 nan 8.280 nan 0.000 0.524 369 G N -0.209 108.636 108.800 0.075 0.000 2.148 369 G HA2 -0.228 3.665 3.960 -0.112 0.000 0.203 369 G HA3 -0.228 3.665 3.960 -0.112 0.000 0.203 369 G C -0.469 174.462 174.900 0.052 0.000 0.993 369 G CA -0.330 44.800 45.100 0.050 0.000 0.661 369 G HN 0.208 nan 8.290 nan 0.000 0.518 370 D N -0.188 120.245 120.400 0.055 0.000 2.423 370 D HA 0.479 5.052 4.640 -0.112 0.000 0.238 370 D C 0.364 176.685 176.300 0.034 0.000 1.142 370 D CA 0.279 54.308 54.000 0.048 0.000 0.884 370 D CB 1.684 42.510 40.800 0.043 0.000 1.199 370 D HN 0.380 nan 8.370 nan 0.000 0.438 371 L N 0.749 122.003 121.223 0.051 0.000 2.408 371 L HA 0.658 4.930 4.340 -0.112 0.000 0.268 371 L C -1.441 175.483 176.870 0.090 0.000 0.986 371 L CA -0.704 54.171 54.840 0.058 0.000 0.820 371 L CB 1.904 44.003 42.059 0.066 0.000 1.303 371 L HN 0.395 nan 8.230 nan 0.000 0.411 372 A N 3.567 126.434 122.820 0.078 0.000 2.332 372 A HA 0.701 4.954 4.320 -0.112 0.000 0.300 372 A C -0.561 177.081 177.584 0.097 0.000 1.153 372 A CA -0.247 51.849 52.037 0.098 0.000 0.764 372 A CB 0.387 19.404 19.000 0.028 0.000 1.174 372 A HN 0.830 nan 8.150 nan 0.000 0.467 373 N N 1.121 119.930 118.700 0.182 0.000 2.261 373 N HA -0.008 4.665 4.740 -0.112 0.000 0.241 373 N C 0.099 175.760 175.510 0.253 0.000 1.374 373 N CA 0.092 53.239 53.050 0.162 0.000 0.802 373 N CB -0.192 38.379 38.487 0.140 0.000 1.339 373 N HN 0.829 nan 8.380 nan 0.000 0.498 374 W N -0.336 120.993 121.300 0.048 0.000 2.520 374 W HA 0.552 5.149 4.660 -0.105 0.000 0.272 374 W C -0.933 175.623 176.519 0.062 0.000 0.984 374 W CA -0.293 57.092 57.345 0.066 0.000 1.314 374 W CB 0.428 29.929 29.460 0.069 0.000 0.945 374 W HN -0.048 nan 8.180 nan 0.000 0.596 375 M N 1.953 121.151 119.600 -0.671 0.000 2.322 375 M HA 0.459 4.871 4.480 -0.112 0.000 0.286 375 M C -2.222 173.827 176.300 -0.419 0.000 1.111 375 M CA -0.483 54.373 55.300 -0.740 0.000 0.941 375 M CB 2.479 34.158 32.600 -1.534 0.000 1.671 375 M HN -0.084 nan 8.290 nan 0.000 0.470 376 I N 6.427 126.846 120.570 -0.253 0.000 2.464 376 I HA 0.366 4.469 4.170 -0.112 0.000 0.277 376 I C -2.257 173.775 176.117 -0.142 0.000 1.040 376 I CA -1.857 59.344 61.300 -0.166 0.000 1.153 376 I CB 1.545 39.483 38.000 -0.103 0.000 1.274 376 I HN 0.389 nan 8.210 nan 0.000 0.469 377 P HA 0.021 nan 4.420 nan 0.000 0.262 377 P C 0.906 178.159 177.300 -0.078 0.000 1.182 377 P CA 0.689 63.730 63.100 -0.098 0.000 0.761 377 P CB 0.513 32.165 31.700 -0.079 0.000 0.795 378 G N 2.097 110.852 108.800 -0.075 0.000 2.198 378 G HA2 -0.306 3.587 3.960 -0.112 0.000 0.260 378 G HA3 -0.306 3.587 3.960 -0.112 0.000 0.260 378 G C 0.558 175.395 174.900 -0.105 0.000 1.025 378 G CA 0.845 45.879 45.100 -0.112 0.000 0.769 378 G HN 0.669 nan 8.290 nan 0.000 0.507 379 K N -2.224 118.121 120.400 -0.090 0.000 3.164 379 K HA 0.285 4.538 4.320 -0.112 0.000 0.214 379 K C -0.265 176.298 176.600 -0.062 0.000 1.957 379 K CA -0.138 56.104 56.287 -0.076 0.000 1.446 379 K CB 0.104 32.564 32.500 -0.066 0.000 2.272 379 K HN 0.431 nan 8.250 nan 0.000 0.592 380 L N 2.731 123.915 121.223 -0.065 0.000 2.324 380 L HA 0.440 4.712 4.340 -0.112 0.000 0.274 380 L C -1.430 175.410 176.870 -0.051 0.000 1.012 380 L CA -0.299 54.513 54.840 -0.046 0.000 0.859 380 L CB 1.665 43.699 42.059 -0.042 0.000 1.224 380 L HN -0.004 nan 8.230 nan 0.000 0.429 381 V N 5.349 125.264 119.914 0.002 0.000 2.562 381 V HA 0.296 4.349 4.120 -0.112 0.000 0.274 381 V C 0.839 176.986 176.094 0.089 0.000 1.075 381 V CA -0.476 61.871 62.300 0.077 0.000 1.204 381 V CB 0.259 32.186 31.823 0.174 0.000 1.478 381 V HN 0.601 nan 8.190 nan 0.000 0.622 382 K N 1.747 122.180 120.400 0.055 0.000 2.444 382 K HA 0.406 4.659 4.320 -0.112 0.000 0.193 382 K C 1.087 177.704 176.600 0.028 0.000 1.024 382 K CA 0.746 56.996 56.287 -0.063 0.000 1.077 382 K CB 0.841 33.280 32.500 -0.102 0.000 0.833 382 K HN 0.822 nan 8.250 nan 0.000 0.517 383 G N 1.729 110.688 108.800 0.265 0.000 2.661 383 G HA2 -0.209 3.683 3.960 -0.112 0.000 0.685 383 G HA3 -0.209 3.683 3.960 -0.112 0.000 0.685 383 G C 0.361 175.534 174.900 0.454 0.000 1.298 383 G CA -0.088 45.218 45.100 0.342 0.000 0.855 383 G HN 0.053 nan 8.290 nan 0.000 0.560 384 M N 0.344 120.014 119.600 0.116 0.000 2.492 384 M HA 0.393 4.806 4.480 -0.112 0.000 0.255 384 M C 1.579 177.901 176.300 0.038 0.000 1.139 384 M CA 2.062 57.330 55.300 -0.055 0.000 1.096 384 M CB -1.226 30.927 32.600 -0.745 0.000 1.360 384 M HN 2.805 nan 8.290 nan 0.000 0.480 385 G N 1.497 110.355 108.800 0.097 0.000 2.583 385 G HA2 -0.315 3.578 3.960 -0.112 0.000 0.292 385 G HA3 -0.315 3.578 3.960 -0.112 0.000 0.292 385 G C 0.640 175.575 174.900 0.057 0.000 1.203 385 G CA 0.427 45.591 45.100 0.107 0.000 0.987 385 G HN 0.845 nan 8.290 nan 0.000 0.554 386 G N 0.130 109.014 108.800 0.140 0.000 3.189 386 G HA2 0.553 4.445 3.960 -0.112 0.000 0.225 386 G HA3 0.553 4.445 3.960 -0.112 0.000 0.225 386 G C 1.657 176.639 174.900 0.136 0.000 1.159 386 G CA 1.751 46.962 45.100 0.184 0.000 0.763 386 G HN 1.682 nan 8.290 nan 0.000 0.549 387 A N 0.935 123.797 122.820 0.070 0.000 1.940 387 A HA -0.043 4.210 4.320 -0.112 0.000 0.219 387 A C 2.318 179.917 177.584 0.025 0.000 1.176 387 A CA 1.442 53.517 52.037 0.062 0.000 0.631 387 A CB -0.289 18.753 19.000 0.070 0.000 0.814 387 A HN 0.405 nan 8.150 nan 0.000 0.446 388 M N -0.984 118.585 119.600 -0.053 0.000 2.254 388 M HA -0.119 4.294 4.480 -0.112 0.000 0.265 388 M C 1.316 177.610 176.300 -0.010 0.000 1.066 388 M CA 1.687 56.947 55.300 -0.066 0.000 1.123 388 M CB -0.549 31.953 32.600 -0.163 0.000 1.388 388 M HN 0.387 nan 8.290 nan 0.000 0.425 389 D N 0.665 121.063 120.400 -0.004 0.000 2.194 389 D HA -0.045 4.527 4.640 -0.112 0.000 0.204 389 D C 1.890 178.270 176.300 0.133 0.000 0.964 389 D CA 0.873 54.907 54.000 0.057 0.000 0.846 389 D CB -0.040 40.767 40.800 0.012 0.000 0.962 389 D HN 0.246 nan 8.370 nan 0.000 0.490 390 L N 0.500 121.812 121.223 0.148 0.000 2.275 390 L HA -0.056 4.217 4.340 -0.112 0.000 0.215 390 L C 1.740 178.666 176.870 0.093 0.000 1.119 390 L CA 0.600 55.522 54.840 0.138 0.000 0.790 390 L CB -0.043 42.099 42.059 0.138 0.000 0.919 390 L HN 0.155 nan 8.230 nan 0.000 0.443 391 V N -5.284 114.675 119.914 0.075 0.000 3.427 391 V HA 0.140 4.193 4.120 -0.112 0.000 0.305 391 V C 1.909 178.034 176.094 0.051 0.000 1.412 391 V CA 0.528 62.864 62.300 0.060 0.000 1.086 391 V CB 0.261 32.118 31.823 0.057 0.000 0.964 391 V HN 0.339 nan 8.190 nan 0.000 0.439 392 S N -0.146 115.587 115.700 0.056 0.000 2.436 392 S HA 0.068 4.470 4.470 -0.112 0.000 0.228 392 S C 1.267 175.885 174.600 0.029 0.000 1.014 392 S CA 0.914 59.141 58.200 0.044 0.000 0.950 392 S CB -0.264 62.974 63.200 0.063 0.000 0.784 392 S HN 0.645 nan 8.310 nan 0.000 0.504 393 S N 0.348 116.071 115.700 0.038 0.000 2.562 393 S HA 0.681 5.084 4.470 -0.112 0.000 0.275 393 S C 0.984 175.593 174.600 0.015 0.000 1.281 393 S CA -0.190 58.025 58.200 0.025 0.000 1.045 393 S CB 1.179 64.389 63.200 0.018 0.000 0.962 393 S HN 0.524 nan 8.310 nan 0.000 0.503 394 A N 4.378 127.203 122.820 0.007 0.000 2.072 394 A HA 0.133 4.385 4.320 -0.112 0.000 0.216 394 A C 1.949 179.537 177.584 0.007 0.000 1.156 394 A CA 0.748 52.790 52.037 0.007 0.000 0.701 394 A CB -0.297 18.705 19.000 0.003 0.000 0.816 394 A HN 0.862 nan 8.150 nan 0.000 0.458 395 K N -0.363 120.036 120.400 -0.002 0.000 2.296 395 K HA -0.008 4.244 4.320 -0.112 0.000 0.200 395 K C -0.260 176.343 176.600 0.005 0.000 1.048 395 K CA 0.900 57.183 56.287 -0.007 0.000 0.966 395 K CB 0.009 32.487 32.500 -0.035 0.000 0.754 395 K HN 0.349 nan 8.250 nan 0.000 0.466 396 T N 1.775 116.336 114.554 0.012 0.000 2.771 396 T HA 0.091 4.374 4.350 -0.112 0.000 0.291 396 T C -0.617 174.100 174.700 0.028 0.000 0.954 396 T CA -0.361 61.755 62.100 0.027 0.000 1.045 396 T CB 1.378 70.267 68.868 0.035 0.000 0.917 396 T HN 0.067 nan 8.240 nan 0.000 0.484 397 K N 3.646 124.063 120.400 0.028 0.000 2.378 397 K HA 0.259 4.512 4.320 -0.112 0.000 0.288 397 K C -0.758 175.853 176.600 0.019 0.000 1.057 397 K CA -0.337 55.962 56.287 0.020 0.000 0.971 397 K CB 0.214 32.721 32.500 0.012 0.000 0.975 397 K HN 0.316 nan 8.250 nan 0.000 0.475 398 V N 5.726 125.653 119.914 0.021 0.000 2.364 398 V HA 0.216 4.269 4.120 -0.112 0.000 0.272 398 V C -0.374 175.727 176.094 0.011 0.000 1.036 398 V CA -0.811 61.503 62.300 0.022 0.000 0.880 398 V CB 1.355 33.197 31.823 0.033 0.000 0.991 398 V HN 0.486 nan 8.190 nan 0.000 0.460 399 V N 6.126 126.039 119.914 -0.002 0.000 2.409 399 V HA 0.419 4.472 4.120 -0.112 0.000 0.291 399 V C -0.030 176.058 176.094 -0.009 0.000 1.020 399 V CA -0.581 61.709 62.300 -0.015 0.000 0.848 399 V CB 2.006 33.798 31.823 -0.052 0.000 0.990 399 V HN 0.601 nan 8.190 nan 0.000 0.430 400 V N 4.448 124.361 119.914 -0.001 0.000 2.509 400 V HA 0.574 4.627 4.120 -0.112 0.000 0.284 400 V C 0.448 176.538 176.094 -0.006 0.000 1.047 400 V CA -0.246 62.055 62.300 0.003 0.000 0.952 400 V CB 2.054 33.880 31.823 0.005 0.000 0.988 400 V HN 1.023 nan 8.190 nan 0.000 0.469 401 T N 3.781 118.332 114.554 -0.005 0.000 2.847 401 T HA 0.824 5.107 4.350 -0.112 0.000 0.291 401 T C -0.771 173.925 174.700 -0.006 0.000 0.998 401 T CA -0.691 61.401 62.100 -0.013 0.000 0.967 401 T CB 1.171 70.029 68.868 -0.017 0.000 0.954 401 T HN 0.796 nan 8.240 nan 0.000 0.441 402 M N 0.341 119.935 119.600 -0.011 0.000 2.732 402 M HA 0.613 5.026 4.480 -0.112 0.000 0.272 402 M C -1.297 175.000 176.300 -0.005 0.000 1.203 402 M CA -0.992 54.304 55.300 -0.008 0.000 0.841 402 M CB 1.605 34.199 32.600 -0.011 0.000 1.685 402 M HN 0.349 nan 8.290 nan 0.000 0.492 403 E N 0.864 121.066 120.200 0.003 0.000 2.413 403 E HA -0.022 4.261 4.350 -0.112 0.000 0.263 403 E C 0.061 176.691 176.600 0.050 0.000 1.015 403 E CA 0.444 56.859 56.400 0.024 0.000 0.916 403 E CB 0.798 30.512 29.700 0.022 0.000 0.947 403 E HN 0.763 nan 8.360 nan 0.000 0.440 404 H N 1.335 120.410 119.070 0.008 0.000 2.326 404 H HA -0.022 4.467 4.556 -0.112 0.000 0.301 404 H C 0.108 175.466 175.328 0.051 0.000 1.081 404 H CA 1.423 57.493 56.048 0.038 0.000 1.334 404 H CB 0.506 30.296 29.762 0.046 0.000 1.385 404 H HN 0.180 nan 8.280 nan 0.000 0.504 405 S N -1.232 114.589 115.700 0.202 0.000 2.638 405 S HA 0.722 5.125 4.470 -0.112 0.000 0.302 405 S C -0.644 173.998 174.600 0.069 0.000 1.096 405 S CA -0.506 57.782 58.200 0.145 0.000 0.953 405 S CB 2.019 65.316 63.200 0.162 0.000 1.107 405 S HN 0.556 nan 8.310 nan 0.000 0.503 406 A N 1.125 123.971 122.820 0.043 0.000 2.420 406 A HA 0.648 4.900 4.320 -0.112 0.000 0.291 406 A C -0.533 177.054 177.584 0.005 0.000 1.228 406 A CA -0.695 51.352 52.037 0.017 0.000 0.933 406 A CB 0.141 19.146 19.000 0.007 0.000 1.428 406 A HN 0.737 nan 8.150 nan 0.000 0.493 407 K N -0.205 120.193 120.400 -0.003 0.000 2.484 407 K HA 0.331 4.584 4.320 -0.112 0.000 0.280 407 K C 0.871 177.460 176.600 -0.018 0.000 1.013 407 K CA 1.246 57.528 56.287 -0.008 0.000 1.029 407 K CB -0.015 32.479 32.500 -0.011 0.000 0.902 407 K HN 1.480 nan 8.250 nan 0.000 0.481 408 G N 2.964 111.754 108.800 -0.017 0.000 2.176 408 G HA2 -0.352 3.540 3.960 -0.112 0.000 0.252 408 G HA3 -0.352 3.540 3.960 -0.112 0.000 0.252 408 G C 0.207 175.085 174.900 -0.037 0.000 1.024 408 G CA 0.344 45.429 45.100 -0.026 0.000 0.755 408 G HN 0.905 nan 8.290 nan 0.000 0.507 409 N N -1.922 116.763 118.700 -0.024 0.000 2.710 409 N HA -0.091 4.582 4.740 -0.112 0.000 0.249 409 N C 0.786 176.244 175.510 -0.086 0.000 1.059 409 N CA 1.872 54.907 53.050 -0.025 0.000 0.720 409 N CB -1.005 37.471 38.487 -0.019 0.000 0.983 409 N HN 1.893 nan 8.380 nan 0.000 0.544 410 A N 0.303 123.076 122.820 -0.079 0.000 2.371 410 A HA 0.343 4.596 4.320 -0.112 0.000 0.257 410 A C 0.074 177.622 177.584 -0.060 0.000 1.089 410 A CA -0.212 51.749 52.037 -0.127 0.000 0.794 410 A CB 0.245 19.206 19.000 -0.065 0.000 1.029 410 A HN 0.456 nan 8.150 nan 0.000 0.488 411 H N 1.073 120.153 119.070 0.016 0.000 2.764 411 H HA 0.156 4.644 4.556 -0.112 0.000 0.341 411 H C 0.546 175.863 175.328 -0.019 0.000 1.072 411 H CA 0.393 56.447 56.048 0.010 0.000 1.444 411 H CB 1.132 30.896 29.762 0.003 0.000 1.458 411 H HN 0.740 nan 8.280 nan 0.000 0.572 412 K N 2.293 122.752 120.400 0.097 0.000 2.350 412 K HA 0.265 4.518 4.320 -0.112 0.000 0.196 412 K C 0.397 176.955 176.600 -0.070 0.000 1.084 412 K CA 0.320 56.607 56.287 -0.000 0.000 0.967 412 K CB 0.855 33.340 32.500 -0.024 0.000 0.950 412 K HN 0.388 nan 8.250 nan 0.000 0.512 413 I N 3.767 124.252 120.570 -0.140 0.000 2.325 413 I HA 0.249 4.352 4.170 -0.112 0.000 0.291 413 I C -0.042 175.945 176.117 -0.217 0.000 1.019 413 I CA -0.322 60.837 61.300 -0.234 0.000 1.302 413 I CB 0.809 38.568 38.000 -0.402 0.000 1.401 413 I HN 0.127 nan 8.210 nan 0.000 0.485 414 M N 3.073 122.561 119.600 -0.186 0.000 2.880 414 M HA 0.469 4.882 4.480 -0.112 0.000 0.269 414 M C -0.264 175.950 176.300 -0.143 0.000 1.248 414 M CA -0.812 54.395 55.300 -0.155 0.000 0.821 414 M CB 1.944 34.507 32.600 -0.063 0.000 1.650 414 M HN 0.194 nan 8.290 nan 0.000 0.479 415 E N 1.266 121.399 120.200 -0.112 0.000 2.031 415 E HA 0.050 4.333 4.350 -0.112 0.000 0.193 415 E C -0.156 176.405 176.600 -0.066 0.000 0.994 415 E CA 1.456 57.795 56.400 -0.101 0.000 0.800 415 E CB 0.196 29.861 29.700 -0.058 0.000 0.752 415 E HN 0.379 nan 8.360 nan 0.000 0.447 416 K N 0.021 120.400 120.400 -0.036 0.000 2.468 416 K HA 0.277 4.530 4.320 -0.112 0.000 0.252 416 K C -0.722 175.869 176.600 -0.016 0.000 0.932 416 K CA -0.563 55.715 56.287 -0.014 0.000 0.794 416 K CB 2.211 34.712 32.500 0.001 0.000 1.241 416 K HN 0.018 nan 8.250 nan 0.000 0.428 417 C N 1.768 121.061 119.300 -0.012 0.000 2.657 417 C HA 0.072 4.464 4.460 -0.112 0.000 0.420 417 C C 2.140 177.124 174.990 -0.011 0.000 1.323 417 C CA -0.010 59.001 59.018 -0.012 0.000 1.894 417 C CB -0.213 27.524 27.740 -0.004 0.000 2.681 417 C HN 0.888 nan 8.230 nan 0.000 0.613 418 T N -0.082 114.463 114.554 -0.015 0.000 3.015 418 T HA 0.192 4.475 4.350 -0.112 0.000 0.250 418 T C 0.448 175.128 174.700 -0.034 0.000 1.057 418 T CA 0.181 62.270 62.100 -0.020 0.000 1.066 418 T CB -0.067 68.792 68.868 -0.016 0.000 0.959 418 T HN 0.523 nan 8.240 nan 0.000 0.488 419 L N 1.800 122.998 121.223 -0.042 0.000 2.456 419 L HA 0.440 4.713 4.340 -0.112 0.000 0.257 419 L C -2.298 174.530 176.870 -0.071 0.000 1.162 419 L CA -2.643 52.152 54.840 -0.075 0.000 0.808 419 L CB 0.185 42.193 42.059 -0.086 0.000 1.136 419 L HN -0.071 nan 8.230 nan 0.000 0.466 420 P HA 0.064 nan 4.420 nan 0.000 0.265 420 P C -0.737 176.600 177.300 0.062 0.000 1.193 420 P CA 0.103 63.160 63.100 -0.072 0.000 0.765 420 P CB 0.359 31.906 31.700 -0.256 0.000 0.823 421 L N 2.541 123.869 121.223 0.174 0.000 2.371 421 L HA 0.138 4.411 4.340 -0.112 0.000 0.272 421 L C 1.543 178.639 176.870 0.376 0.000 1.124 421 L CA 0.061 55.023 54.840 0.203 0.000 0.816 421 L CB 0.465 42.580 42.059 0.093 0.000 1.129 421 L HN 0.429 nan 8.230 nan 0.000 0.448 422 T N 0.609 115.347 114.554 0.305 0.000 3.009 422 T HA 0.165 4.447 4.350 -0.112 0.000 0.258 422 T C 0.589 175.334 174.700 0.075 0.000 1.063 422 T CA 0.662 62.876 62.100 0.190 0.000 1.139 422 T CB 0.309 69.294 68.868 0.195 0.000 0.890 422 T HN 0.811 nan 8.240 nan 0.000 0.471 423 G N 0.257 109.108 108.800 0.085 0.000 2.601 423 G HA2 0.547 4.440 3.960 -0.112 0.000 0.291 423 G HA3 0.547 4.440 3.960 -0.112 0.000 0.291 423 G C -1.981 172.957 174.900 0.062 0.000 1.456 423 G CA -0.908 44.231 45.100 0.065 0.000 0.804 423 G HN 0.005 nan 8.290 nan 0.000 0.499 424 K N 1.012 121.456 120.400 0.074 0.000 2.213 424 K HA 0.392 4.645 4.320 -0.112 0.000 0.270 424 K C -0.165 176.490 176.600 0.092 0.000 1.002 424 K CA -0.427 55.905 56.287 0.075 0.000 0.868 424 K CB 1.302 33.844 32.500 0.071 0.000 1.093 424 K HN 0.657 nan 8.250 nan 0.000 0.454 425 Q N 0.620 120.471 119.800 0.085 0.000 2.454 425 Q HA -0.226 4.047 4.340 -0.112 0.000 0.341 425 Q C 0.308 176.348 176.000 0.066 0.000 1.437 425 Q CA 0.523 56.378 55.803 0.085 0.000 0.935 425 Q CB -1.895 26.891 28.738 0.080 0.000 1.164 425 Q HN 0.933 nan 8.270 nan 0.000 0.373 426 C N -4.376 114.960 119.300 0.060 0.000 3.931 426 C HA 0.468 4.861 4.460 -0.112 0.000 0.378 426 C C 0.766 175.782 174.990 0.044 0.000 1.554 426 C CA -0.304 58.743 59.018 0.050 0.000 1.926 426 C CB 0.051 27.823 27.740 0.053 0.000 2.837 426 C HN 0.301 nan 8.230 nan 0.000 0.701 427 V N 3.479 123.418 119.914 0.042 0.000 2.465 427 V HA 0.307 4.360 4.120 -0.112 0.000 0.279 427 V C 0.297 176.412 176.094 0.034 0.000 1.045 427 V CA 0.457 62.776 62.300 0.033 0.000 0.938 427 V CB 1.213 33.049 31.823 0.022 0.000 0.986 427 V HN 0.446 nan 8.190 nan 0.000 0.467 428 N N 2.652 121.370 118.700 0.030 0.000 2.368 428 N HA 0.210 4.883 4.740 -0.112 0.000 0.178 428 N C 0.454 175.985 175.510 0.035 0.000 1.076 428 N CA -0.034 53.035 53.050 0.032 0.000 0.889 428 N CB 0.540 39.042 38.487 0.026 0.000 1.040 428 N HN 0.626 nan 8.380 nan 0.000 0.463 429 R N 0.549 121.067 120.500 0.029 0.000 2.594 429 R HA 0.443 4.716 4.340 -0.112 0.000 0.265 429 R C -2.080 174.242 176.300 0.036 0.000 1.070 429 R CA -0.467 55.655 56.100 0.037 0.000 0.909 429 R CB 1.172 31.480 30.300 0.013 0.000 1.243 429 R HN -0.080 nan 8.270 nan 0.000 0.455 430 I N 5.578 126.193 120.570 0.075 0.000 2.410 430 I HA 0.389 4.492 4.170 -0.112 0.000 0.286 430 I C -0.345 175.817 176.117 0.074 0.000 1.009 430 I CA -0.701 60.644 61.300 0.076 0.000 1.111 430 I CB 1.891 39.955 38.000 0.106 0.000 1.262 430 I HN 0.432 nan 8.210 nan 0.000 0.443 431 I N 5.945 126.526 120.570 0.019 0.000 2.339 431 I HA 0.366 4.468 4.170 -0.112 0.000 0.290 431 I C 0.459 176.574 176.117 -0.003 0.000 0.994 431 I CA -0.169 61.126 61.300 -0.009 0.000 1.191 431 I CB 1.784 39.758 38.000 -0.043 0.000 1.343 431 I HN 0.636 nan 8.210 nan 0.000 0.458 432 T N 1.391 115.954 114.554 0.014 0.000 2.883 432 T HA 0.261 4.543 4.350 -0.112 0.000 0.284 432 T C 0.870 175.555 174.700 -0.026 0.000 1.041 432 T CA -0.632 61.487 62.100 0.032 0.000 1.007 432 T CB 1.793 70.757 68.868 0.160 0.000 1.220 432 T HN 0.624 nan 8.240 nan 0.000 0.552 433 E N 0.513 120.680 120.200 -0.055 0.000 2.347 433 E HA -0.041 4.242 4.350 -0.112 0.000 0.196 433 E C 1.193 177.656 176.600 -0.228 0.000 1.008 433 E CA 0.894 57.170 56.400 -0.207 0.000 0.852 433 E CB -0.094 29.471 29.700 -0.224 0.000 0.783 433 E HN 0.759 nan 8.360 nan 0.000 0.505 434 K N 0.120 120.488 120.400 -0.054 0.000 2.214 434 K HA 0.339 4.591 4.320 -0.112 0.000 0.201 434 K C 0.791 177.399 176.600 0.013 0.000 1.049 434 K CA 0.793 57.069 56.287 -0.019 0.000 0.978 434 K CB 0.748 33.149 32.500 -0.165 0.000 0.842 434 K HN 0.143 nan 8.250 nan 0.000 0.474 435 A N 0.620 123.430 122.820 -0.016 0.000 2.594 435 A HA 0.618 4.871 4.320 -0.112 0.000 0.291 435 A C -1.462 175.983 177.584 -0.232 0.000 1.105 435 A CA -0.642 51.276 52.037 -0.199 0.000 0.694 435 A CB 1.765 20.488 19.000 -0.463 0.000 1.291 435 A HN -0.101 nan 8.150 nan 0.000 0.410 436 V N 0.670 120.372 119.914 -0.354 0.000 2.487 436 V HA 0.602 4.655 4.120 -0.112 0.000 0.298 436 V C -1.380 174.467 176.094 -0.411 0.000 1.028 436 V CA -0.232 61.915 62.300 -0.256 0.000 0.860 436 V CB 1.084 32.831 31.823 -0.126 0.000 0.991 436 V HN 0.662 nan 8.190 nan 0.000 0.427 437 F N 1.778 121.691 119.950 -0.062 0.000 2.495 437 F HA 0.538 4.998 4.527 -0.113 0.000 0.327 437 F C 0.349 176.124 175.800 -0.042 0.000 1.103 437 F CA -0.771 57.187 58.000 -0.071 0.000 0.949 437 F CB 1.565 40.501 39.000 -0.107 0.000 1.142 437 F HN 0.402 nan 8.300 nan 0.000 0.457 438 D N 2.172 122.674 120.400 0.170 0.000 2.256 438 D HA 0.436 5.009 4.640 -0.112 0.000 0.250 438 D C -0.618 175.753 176.300 0.118 0.000 1.093 438 D CA 0.054 54.121 54.000 0.112 0.000 0.882 438 D CB 1.947 42.794 40.800 0.080 0.000 1.185 438 D HN 0.089 nan 8.370 nan 0.000 0.437 439 V N 2.111 122.073 119.914 0.080 0.000 2.495 439 V HA 0.332 4.384 4.120 -0.112 0.000 0.298 439 V C -0.213 175.927 176.094 0.075 0.000 1.031 439 V CA -0.787 61.550 62.300 0.061 0.000 0.871 439 V CB 2.021 33.865 31.823 0.035 0.000 0.988 439 V HN 0.435 nan 8.190 nan 0.000 0.432 440 D N 1.859 122.319 120.400 0.100 0.000 2.481 440 D HA 0.420 4.993 4.640 -0.112 0.000 0.244 440 D C 1.163 177.568 176.300 0.175 0.000 1.057 440 D CA -0.760 53.308 54.000 0.114 0.000 0.848 440 D CB 1.760 42.624 40.800 0.106 0.000 1.388 440 D HN 0.542 nan 8.370 nan 0.000 0.475 441 R N 2.175 122.745 120.500 0.117 0.000 2.189 441 R HA 0.012 4.284 4.340 -0.112 0.000 0.218 441 R C 0.689 176.973 176.300 -0.026 0.000 1.074 441 R CA 1.025 57.178 56.100 0.088 0.000 0.991 441 R CB 0.120 30.438 30.300 0.030 0.000 0.883 441 R HN 0.257 nan 8.270 nan 0.000 0.457 442 K N 0.243 120.650 120.400 0.012 0.000 2.306 442 K HA 0.165 4.418 4.320 -0.112 0.000 0.200 442 K C 1.683 178.342 176.600 0.097 0.000 1.083 442 K CA 0.414 56.664 56.287 -0.061 0.000 0.959 442 K CB 0.493 32.976 32.500 -0.028 0.000 0.994 442 K HN 0.032 nan 8.250 nan 0.000 0.492 443 K N 0.137 120.647 120.400 0.183 0.000 2.352 443 K HA 0.157 4.410 4.320 -0.112 0.000 0.194 443 K C 0.720 177.464 176.600 0.240 0.000 1.038 443 K CA 0.575 56.981 56.287 0.199 0.000 1.023 443 K CB 1.138 33.708 32.500 0.117 0.000 0.840 443 K HN 0.294 nan 8.250 nan 0.000 0.519 444 G N 1.684 110.648 108.800 0.274 0.000 2.484 444 G HA2 -0.245 3.648 3.960 -0.112 0.000 0.225 444 G HA3 -0.245 3.648 3.960 -0.112 0.000 0.225 444 G C -0.687 174.232 174.900 0.032 0.000 1.250 444 G CA -0.768 44.361 45.100 0.047 0.000 0.926 444 G HN 0.062 nan 8.290 nan 0.000 0.581 445 L N 0.768 121.980 121.223 -0.018 0.000 2.375 445 L HA 0.641 4.914 4.340 -0.112 0.000 0.271 445 L C 0.239 177.228 176.870 0.197 0.000 1.107 445 L CA -0.345 54.516 54.840 0.035 0.000 0.806 445 L CB 1.602 43.563 42.059 -0.162 0.000 1.146 445 L HN 0.626 nan 8.230 nan 0.000 0.447 446 T N 3.261 117.974 114.554 0.265 0.000 2.949 446 T HA 0.268 4.550 4.350 -0.112 0.000 0.300 446 T C -0.558 174.297 174.700 0.259 0.000 0.988 446 T CA -0.460 61.799 62.100 0.265 0.000 0.993 446 T CB 1.423 70.386 68.868 0.158 0.000 0.984 446 T HN 0.244 nan 8.240 nan 0.000 0.442 447 L N 5.920 127.275 121.223 0.220 0.000 2.456 447 L HA 0.375 4.648 4.340 -0.112 0.000 0.277 447 L C 0.935 177.761 176.870 -0.073 0.000 1.124 447 L CA 0.258 55.018 54.840 -0.134 0.000 0.880 447 L CB -0.296 41.672 42.059 -0.152 0.000 1.192 447 L HN 0.779 nan 8.230 nan 0.000 0.463 448 I N 0.191 120.685 120.570 -0.125 0.000 3.939 448 I HA 0.397 4.500 4.170 -0.112 0.000 0.313 448 I C 0.031 176.102 176.117 -0.078 0.000 1.274 448 I CA -0.043 61.221 61.300 -0.061 0.000 1.301 448 I CB 0.175 38.158 38.000 -0.028 0.000 1.105 448 I HN 0.481 nan 8.210 nan 0.000 0.427 449 E N 1.767 121.888 120.200 -0.132 0.000 2.340 449 E HA 0.614 4.897 4.350 -0.112 0.000 0.273 449 E C -1.812 174.716 176.600 -0.120 0.000 0.891 449 E CA -0.884 55.459 56.400 -0.093 0.000 0.757 449 E CB 3.348 33.013 29.700 -0.059 0.000 1.231 449 E HN 0.045 nan 8.360 nan 0.000 0.439 450 L N 2.456 123.646 121.223 -0.055 0.000 2.409 450 L HA 0.370 4.643 4.340 -0.112 0.000 0.272 450 L C -1.152 175.749 176.870 0.051 0.000 0.980 450 L CA -0.455 54.367 54.840 -0.031 0.000 0.826 450 L CB 1.347 43.379 42.059 -0.045 0.000 1.268 450 L HN 0.695 nan 8.230 nan 0.000 0.407 451 W N 5.748 126.992 121.300 -0.093 0.000 2.193 451 W HA 0.182 4.775 4.660 -0.112 0.000 0.338 451 W C 0.080 176.568 176.519 -0.053 0.000 1.310 451 W CA -0.257 57.047 57.345 -0.068 0.000 1.243 451 W CB 0.791 30.212 29.460 -0.065 0.000 1.165 451 W HN 0.832 nan 8.180 nan 0.000 0.566 452 E N 3.328 122.918 120.200 -1.017 0.000 2.442 452 E HA 0.282 4.564 4.350 -0.112 0.000 0.262 452 E C 0.957 177.159 176.600 -0.663 0.000 1.004 452 E CA 0.589 56.500 56.400 -0.815 0.000 0.928 452 E CB 0.527 29.702 29.700 -0.876 0.000 0.937 452 E HN 0.745 nan 8.360 nan 0.000 0.446 453 G N 2.526 111.135 108.800 -0.318 0.000 2.253 453 G HA2 -0.279 3.614 3.960 -0.112 0.000 0.251 453 G HA3 -0.279 3.614 3.960 -0.112 0.000 0.251 453 G C 0.138 174.997 174.900 -0.069 0.000 0.998 453 G CA 0.258 45.261 45.100 -0.162 0.000 0.621 453 G HN 0.440 nan 8.290 nan 0.000 0.524 454 L N 1.217 122.406 121.223 -0.056 0.000 2.358 454 L HA 0.768 5.041 4.340 -0.112 0.000 0.268 454 L C 0.978 177.842 176.870 -0.008 0.000 1.032 454 L CA -0.256 54.587 54.840 0.006 0.000 0.805 454 L CB 1.813 43.910 42.059 0.063 0.000 1.253 454 L HN 0.397 nan 8.230 nan 0.000 0.452 455 T N -2.900 111.661 114.554 0.012 0.000 2.926 455 T HA 0.354 4.636 4.350 -0.112 0.000 0.289 455 T C 0.826 175.558 174.700 0.053 0.000 1.054 455 T CA -0.780 61.332 62.100 0.021 0.000 1.015 455 T CB 1.676 70.556 68.868 0.020 0.000 1.167 455 T HN 0.155 nan 8.240 nan 0.000 0.526 456 V N 1.096 121.056 119.914 0.076 0.000 2.490 456 V HA -0.131 3.921 4.120 -0.112 0.000 0.250 456 V C 2.285 178.485 176.094 0.176 0.000 1.061 456 V CA 1.962 64.354 62.300 0.155 0.000 1.064 456 V CB -0.768 31.145 31.823 0.150 0.000 0.670 456 V HN 0.868 nan 8.190 nan 0.000 0.461 457 D N 0.053 120.513 120.400 0.100 0.000 2.144 457 D HA -0.143 4.429 4.640 -0.112 0.000 0.200 457 D C 1.859 178.217 176.300 0.096 0.000 0.978 457 D CA 1.311 55.362 54.000 0.086 0.000 0.833 457 D CB -0.212 40.617 40.800 0.049 0.000 0.961 457 D HN 0.431 nan 8.370 nan 0.000 0.470 458 D N 0.654 121.098 120.400 0.074 0.000 2.123 458 D HA -0.122 4.450 4.640 -0.112 0.000 0.196 458 D C 2.115 178.449 176.300 0.057 0.000 0.992 458 D CA 0.433 54.465 54.000 0.053 0.000 0.833 458 D CB -0.097 40.720 40.800 0.027 0.000 0.954 458 D HN 0.215 nan 8.370 nan 0.000 0.455 459 I N 0.901 121.526 120.570 0.091 0.000 2.353 459 I HA -0.139 3.963 4.170 -0.112 0.000 0.248 459 I C 2.107 178.410 176.117 0.310 0.000 1.119 459 I CA 0.858 62.223 61.300 0.108 0.000 1.417 459 I CB -0.737 37.321 38.000 0.095 0.000 1.078 459 I HN 0.009 nan 8.210 nan 0.000 0.421 460 K N 1.369 122.002 120.400 0.388 0.000 2.057 460 K HA -0.174 4.079 4.320 -0.112 0.000 0.207 460 K C 1.813 178.554 176.600 0.234 0.000 1.049 460 K CA 1.438 57.941 56.287 0.360 0.000 0.931 460 K CB -0.099 32.498 32.500 0.160 0.000 0.714 460 K HN 0.429 nan 8.250 nan 0.000 0.440 461 K N -0.413 120.098 120.400 0.185 0.000 2.444 461 K HA 0.120 4.372 4.320 -0.112 0.000 0.193 461 K C 0.855 177.607 176.600 0.253 0.000 1.024 461 K CA 0.665 57.063 56.287 0.184 0.000 1.077 461 K CB 0.633 33.203 32.500 0.116 0.000 0.833 461 K HN -0.175 nan 8.250 nan 0.000 0.517 462 S N 0.551 116.403 115.700 0.254 0.000 2.554 462 S HA 0.104 4.507 4.470 -0.112 0.000 0.226 462 S C -0.412 174.458 174.600 0.450 0.000 0.980 462 S CA -0.348 58.049 58.200 0.330 0.000 0.939 462 S CB 0.823 64.089 63.200 0.110 0.000 0.832 462 S HN 0.267 nan 8.310 nan 0.000 0.486 463 T N 0.592 115.277 114.554 0.219 0.000 2.841 463 T HA 0.436 4.719 4.350 -0.112 0.000 0.285 463 T C 1.007 175.337 174.700 -0.617 0.000 0.991 463 T CA -0.633 61.412 62.100 -0.092 0.000 0.966 463 T CB 1.706 70.655 68.868 0.135 0.000 0.962 463 T HN 0.154 nan 8.240 nan 0.000 0.438 464 G N 0.935 109.146 108.800 -0.981 0.000 2.920 464 G HA2 0.267 4.159 3.960 -0.112 0.000 0.208 464 G HA3 0.267 4.159 3.960 -0.112 0.000 0.208 464 G C 0.631 175.360 174.900 -0.284 0.000 1.159 464 G CA 0.071 44.676 45.100 -0.825 0.000 0.784 464 G HN 0.958 nan 8.290 nan 0.000 0.535 465 C N -0.415 118.760 119.300 -0.208 0.000 3.171 465 C HA 0.729 5.122 4.460 -0.112 0.000 0.308 465 C C -0.457 174.519 174.990 -0.024 0.000 1.334 465 C CA -1.394 57.552 59.018 -0.120 0.000 1.473 465 C CB 1.597 29.239 27.740 -0.165 0.000 1.866 465 C HN 0.306 nan 8.230 nan 0.000 0.465 466 D N 0.313 120.682 120.400 -0.052 0.000 2.377 466 D HA 0.688 5.261 4.640 -0.112 0.000 0.245 466 D C -0.477 175.838 176.300 0.025 0.000 1.196 466 D CA -0.127 53.817 54.000 -0.093 0.000 0.962 466 D CB 0.333 41.046 40.800 -0.146 0.000 1.127 466 D HN 0.886 nan 8.370 nan 0.000 0.471 467 F N -3.796 116.139 119.950 -0.026 0.000 2.665 467 F HA 0.700 5.160 4.527 -0.112 0.000 0.308 467 F C -0.845 174.986 175.800 0.051 0.000 1.112 467 F CA -1.694 56.311 58.000 0.009 0.000 0.972 467 F CB 0.783 39.824 39.000 0.069 0.000 1.295 467 F HN 0.521 nan 8.300 nan 0.000 0.440 468 A N 1.574 124.537 122.820 0.238 0.000 2.351 468 A HA 0.688 4.941 4.320 -0.112 0.000 0.257 468 A C -0.695 177.074 177.584 0.307 0.000 1.087 468 A CA -0.551 51.591 52.037 0.174 0.000 0.798 468 A CB 0.652 19.728 19.000 0.127 0.000 1.033 468 A HN 0.825 nan 8.150 nan 0.000 0.488 469 V N 1.499 121.531 119.914 0.197 0.000 2.435 469 V HA 0.411 4.463 4.120 -0.112 0.000 0.290 469 V C 0.747 176.909 176.094 0.112 0.000 1.030 469 V CA -0.520 61.897 62.300 0.194 0.000 0.881 469 V CB 1.526 33.442 31.823 0.155 0.000 0.983 469 V HN 0.958 nan 8.190 nan 0.000 0.445 470 S N 5.645 121.399 115.700 0.091 0.000 2.549 470 S HA 0.244 4.647 4.470 -0.112 0.000 0.279 470 S C -0.874 173.750 174.600 0.041 0.000 1.321 470 S CA -0.961 57.273 58.200 0.057 0.000 1.054 470 S CB 0.977 64.200 63.200 0.039 0.000 0.899 470 S HN 0.720 nan 8.310 nan 0.000 0.497 471 P HA 0.011 nan 4.420 nan 0.000 0.226 471 P C -0.055 177.254 177.300 0.015 0.000 1.153 471 P CA 0.904 64.018 63.100 0.023 0.000 0.777 471 P CB 0.081 31.794 31.700 0.020 0.000 0.794 472 K N 0.006 120.414 120.400 0.014 0.000 2.681 472 K HA 0.186 4.438 4.320 -0.112 0.000 0.211 472 K C 0.115 176.716 176.600 0.002 0.000 1.075 472 K CA -0.823 55.468 56.287 0.007 0.000 1.141 472 K CB -0.105 32.399 32.500 0.007 0.000 0.896 472 K HN 0.019 nan 8.250 nan 0.000 0.470 473 L N 2.857 124.082 121.223 0.003 0.000 2.615 473 L HA 0.055 4.328 4.340 -0.112 0.000 0.271 473 L C -0.058 176.803 176.870 -0.016 0.000 1.183 473 L CA 0.414 55.250 54.840 -0.007 0.000 0.933 473 L CB -0.117 41.942 42.059 0.000 0.000 1.199 473 L HN 0.211 nan 8.230 nan 0.000 0.487 474 I N 4.054 124.611 120.570 -0.022 0.000 2.822 474 I HA 0.698 4.801 4.170 -0.112 0.000 0.312 474 I C -2.284 173.813 176.117 -0.033 0.000 1.011 474 I CA -2.549 58.736 61.300 -0.025 0.000 1.105 474 I CB 1.444 39.433 38.000 -0.019 0.000 1.291 474 I HN 0.418 nan 8.210 nan 0.000 0.474 475 P HA 0.083 nan 4.420 nan 0.000 0.271 475 P C -0.606 176.687 177.300 -0.012 0.000 1.218 475 P CA -0.261 62.804 63.100 -0.057 0.000 0.780 475 P CB 0.725 32.365 31.700 -0.101 0.000 0.901 476 M N 2.436 122.063 119.600 0.046 0.000 2.239 476 M HA 0.010 4.422 4.480 -0.112 0.000 0.348 476 M C 0.315 176.695 176.300 0.133 0.000 1.239 476 M CA 0.398 55.769 55.300 0.119 0.000 1.114 476 M CB 0.117 32.868 32.600 0.252 0.000 1.641 476 M HN 0.332 nan 8.290 nan 0.000 0.453 477 Q N 3.187 123.033 119.800 0.076 0.000 2.312 477 Q HA 0.302 4.575 4.340 -0.112 0.000 0.236 477 Q C -1.026 175.017 176.000 0.072 0.000 0.965 477 Q CA -0.425 55.415 55.803 0.061 0.000 0.894 477 Q CB 1.124 29.877 28.738 0.025 0.000 1.225 477 Q HN 0.558 nan 8.270 nan 0.000 0.478 478 Q N 1.355 121.193 119.800 0.063 0.000 2.315 478 Q HA 0.377 4.649 4.340 -0.112 0.000 0.273 478 Q C -1.635 174.382 176.000 0.029 0.000 1.053 478 Q CA -0.783 55.042 55.803 0.037 0.000 0.817 478 Q CB 2.332 31.119 28.738 0.082 0.000 1.326 478 Q HN 0.443 nan 8.270 nan 0.000 0.423 479 L N 2.601 123.825 121.223 0.003 0.000 2.272 479 L HA 0.394 4.667 4.340 -0.112 0.000 0.289 479 L C -0.136 176.802 176.870 0.113 0.000 1.032 479 L CA 0.158 55.033 54.840 0.057 0.000 0.810 479 L CB 0.734 42.840 42.059 0.077 0.000 1.205 479 L HN 0.422 nan 8.230 nan 0.000 0.422 480 E N 0.000 120.288 120.200 0.146 0.000 2.725 480 E HA 0.000 4.283 4.350 -0.112 0.000 0.291 480 E CA 0.000 56.520 56.400 0.199 0.000 0.976 480 E CB 0.000 29.775 29.700 0.125 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440