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_G 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 ERLSVXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXIKRA 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 0.000 174.699 174.700 -0.001 0.000 1.109 1 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 1 T CB 0.000 68.791 68.868 -0.128 0.000 0.612 2 K N 3.026 123.441 120.400 0.024 0.000 2.248 2 K HA 0.584 4.904 4.320 -0.000 0.000 0.281 2 K C -0.882 175.719 176.600 0.003 0.000 1.054 2 K CA -0.538 55.782 56.287 0.055 0.000 0.903 2 K CB 0.423 32.962 32.500 0.067 0.000 1.077 2 K HN 0.364 nan 8.250 nan 0.000 0.474 3 F N 3.664 123.604 119.950 -0.017 0.000 2.384 3 F HA 0.284 4.811 4.527 -0.000 0.000 0.338 3 F C -0.266 175.473 175.800 -0.103 0.000 1.103 3 F CA -0.024 58.000 58.000 0.041 0.000 1.157 3 F CB 0.628 39.638 39.000 0.016 0.000 1.167 3 F HN 0.411 nan 8.300 nan 0.000 0.529 4 Y N -0.353 120.055 120.300 0.179 0.000 2.499 4 Y HA 0.307 4.857 4.550 -0.000 0.000 0.347 4 Y C 1.047 177.018 175.900 0.119 0.000 0.987 4 Y CA -0.942 57.231 58.100 0.121 0.000 1.044 4 Y CB 1.985 40.491 38.460 0.076 0.000 1.245 4 Y HN 0.606 nan 8.280 nan 0.000 0.461 5 T N -3.495 111.196 114.554 0.228 0.000 3.037 5 T HA 0.105 4.455 4.350 -0.000 0.000 0.252 5 T C -0.106 174.676 174.700 0.137 0.000 1.073 5 T CA 0.312 62.505 62.100 0.154 0.000 1.091 5 T CB 0.156 69.082 68.868 0.097 0.000 0.935 5 T HN 0.438 nan 8.240 nan 0.000 0.488 6 D N 0.350 120.850 120.400 0.166 0.000 2.492 6 D HA 0.686 5.326 4.640 -0.000 0.000 0.248 6 D C 0.958 177.314 176.300 0.092 0.000 1.101 6 D CA -0.413 53.654 54.000 0.111 0.000 0.840 6 D CB 1.750 42.610 40.800 0.099 0.000 1.209 6 D HN 0.052 nan 8.370 nan 0.000 0.524 7 A N 2.965 125.805 122.820 0.033 0.000 1.930 7 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 7 A C 2.037 179.590 177.584 -0.050 0.000 1.175 7 A CA 1.198 53.223 52.037 -0.020 0.000 0.627 7 A CB -0.448 18.536 19.000 -0.026 0.000 0.815 7 A HN 0.503 nan 8.150 nan 0.000 0.443 8 V N -0.077 119.824 119.914 -0.022 0.000 2.407 8 V HA -0.232 3.887 4.120 -0.000 0.000 0.248 8 V C 2.533 178.612 176.094 -0.025 0.000 1.055 8 V CA 2.333 64.615 62.300 -0.030 0.000 1.049 8 V CB -0.685 31.131 31.823 -0.011 0.000 0.662 8 V HN 0.651 nan 8.190 nan 0.000 0.455 9 E N 0.602 120.816 120.200 0.023 0.000 2.153 9 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 9 E C 2.128 178.715 176.600 -0.021 0.000 0.988 9 E CA 1.396 57.847 56.400 0.085 0.000 0.811 9 E CB -0.418 29.417 29.700 0.225 0.000 0.746 9 E HN 0.556 nan 8.360 nan 0.000 0.466 10 A N -0.244 122.415 122.820 -0.268 0.000 2.066 10 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 10 A C 1.948 179.349 177.584 -0.306 0.000 1.157 10 A CA 1.514 53.134 52.037 -0.695 0.000 0.670 10 A CB -0.129 18.439 19.000 -0.720 0.000 0.804 10 A HN 0.307 nan 8.150 nan 0.000 0.453 11 V N -2.909 116.896 119.914 -0.182 0.000 3.346 11 V HA 0.174 4.294 4.120 -0.000 0.000 0.309 11 V C 1.400 177.387 176.094 -0.179 0.000 1.457 11 V CA 0.613 62.805 62.300 -0.181 0.000 1.069 11 V CB -0.477 31.241 31.823 -0.174 0.000 0.944 11 V HN 0.589 nan 8.190 nan 0.000 0.449 12 K N 2.071 122.412 120.400 -0.099 0.000 2.362 12 K HA -0.104 4.215 4.320 -0.000 0.000 0.200 12 K C 1.143 177.700 176.600 -0.071 0.000 1.046 12 K CA 1.668 57.913 56.287 -0.070 0.000 0.952 12 K CB -0.320 32.169 32.500 -0.019 0.000 0.753 12 K HN 0.628 nan 8.250 nan 0.000 0.466 13 D N 1.189 121.549 120.400 -0.067 0.000 2.342 13 D HA 0.030 4.670 4.640 -0.000 0.000 0.221 13 D C 0.325 176.567 176.300 -0.097 0.000 1.101 13 D CA -0.339 53.652 54.000 -0.014 0.000 0.837 13 D CB -0.132 40.730 40.800 0.103 0.000 0.938 13 D HN 0.249 nan 8.370 nan 0.000 0.508 14 I N 2.946 123.299 120.570 -0.362 0.000 2.517 14 I HA 0.101 4.270 4.170 -0.000 0.000 0.285 14 I C -1.825 174.174 176.117 -0.197 0.000 1.106 14 I CA -1.454 59.514 61.300 -0.554 0.000 1.402 14 I CB 0.630 38.179 38.000 -0.751 0.000 1.399 14 I HN -0.174 nan 8.210 nan 0.000 0.535 15 P HA 0.132 nan 4.420 nan 0.000 0.276 15 P C -0.908 176.378 177.300 -0.023 0.000 1.244 15 P CA -0.583 62.510 63.100 -0.012 0.000 0.801 15 P CB 0.540 32.268 31.700 0.046 0.000 1.006 16 N N 0.305 118.996 118.700 -0.015 0.000 2.454 16 N HA 0.176 4.916 4.740 -0.000 0.000 0.254 16 N C 1.597 177.109 175.510 0.003 0.000 1.228 16 N CA 1.419 54.461 53.050 -0.012 0.000 0.900 16 N CB -0.418 38.063 38.487 -0.009 0.000 1.089 16 N HN 0.807 nan 8.380 nan 0.000 0.449 17 G N -0.639 108.163 108.800 0.003 0.000 2.179 17 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.260 17 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.260 17 G C 0.328 175.245 174.900 0.027 0.000 0.977 17 G CA 0.390 45.498 45.100 0.013 0.000 0.641 17 G HN 0.938 nan 8.290 nan 0.000 0.533 18 A N -0.055 122.785 122.820 0.033 0.000 2.425 18 A HA 0.611 4.931 4.320 -0.000 0.000 0.242 18 A C 0.761 178.384 177.584 0.065 0.000 1.077 18 A CA 1.237 53.316 52.037 0.070 0.000 0.781 18 A CB 0.327 19.380 19.000 0.089 0.000 1.020 18 A HN 0.784 nan 8.150 nan 0.000 0.494 19 T N 1.841 116.448 114.554 0.088 0.000 2.743 19 T HA 0.475 4.824 4.350 -0.000 0.000 0.293 19 T C -0.409 174.355 174.700 0.106 0.000 0.945 19 T CA -0.121 62.023 62.100 0.074 0.000 1.030 19 T CB 0.455 69.360 68.868 0.061 0.000 0.912 19 T HN 0.421 nan 8.240 nan 0.000 0.483 20 V N 5.763 125.723 119.914 0.078 0.000 2.444 20 V HA 0.388 4.507 4.120 -0.000 0.000 0.294 20 V C 0.019 176.148 176.094 0.059 0.000 1.022 20 V CA -0.972 61.384 62.300 0.093 0.000 0.850 20 V CB 1.433 33.287 31.823 0.052 0.000 0.992 20 V HN 0.756 nan 8.190 nan 0.000 0.426 21 L N 5.200 126.466 121.223 0.071 0.000 2.349 21 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 21 L C -0.491 176.404 176.870 0.042 0.000 1.115 21 L CA -0.472 54.396 54.840 0.048 0.000 0.820 21 L CB 1.167 43.261 42.059 0.058 0.000 1.135 21 L HN 0.356 nan 8.230 nan 0.000 0.445 22 V N 1.845 121.767 119.914 0.015 0.000 2.443 22 V HA 0.437 4.557 4.120 -0.000 0.000 0.293 22 V C 0.683 176.787 176.094 0.017 0.000 1.021 22 V CA -0.698 61.609 62.300 0.012 0.000 0.848 22 V CB 1.412 33.225 31.823 -0.017 0.000 0.998 22 V HN 0.905 nan 8.190 nan 0.000 0.424 23 G N 2.399 111.236 108.800 0.061 0.000 2.594 23 G HA2 0.570 4.529 3.960 -0.000 0.000 0.243 23 G HA3 0.570 4.529 3.960 -0.000 0.000 0.243 23 G C 0.279 175.231 174.900 0.087 0.000 1.229 23 G CA 0.485 45.647 45.100 0.103 0.000 0.843 23 G HN 1.660 nan 8.290 nan 0.000 0.578 24 G N -1.051 107.834 108.800 0.140 0.000 2.379 24 G HA2 0.355 4.314 3.960 -0.000 0.000 0.609 24 G HA3 0.355 4.314 3.960 -0.000 0.000 0.609 24 G C -1.287 173.738 174.900 0.208 0.000 1.484 24 G CA -0.817 44.370 45.100 0.145 0.000 0.921 24 G HN 1.013 nan 8.290 nan 0.000 0.658 25 F N 3.032 123.035 119.950 0.088 0.000 2.403 25 F HA 0.565 5.092 4.527 -0.000 0.000 0.355 25 F C 1.200 177.040 175.800 0.068 0.000 1.119 25 F CA 1.374 59.431 58.000 0.095 0.000 1.007 25 F CB 1.133 40.206 39.000 0.121 0.000 1.194 25 F HN 1.936 nan 8.300 nan 0.000 0.443 26 G N 5.140 113.755 108.800 -0.309 0.000 2.634 26 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.318 26 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.318 26 G C 0.578 175.475 174.900 -0.004 0.000 1.207 26 G CA 0.656 45.661 45.100 -0.158 0.000 0.987 26 G HN 0.694 nan 8.290 nan 0.000 0.547 27 L N 0.382 121.646 121.223 0.069 0.000 2.728 27 L HA 0.334 4.673 4.340 -0.000 0.000 0.238 27 L C 1.173 178.127 176.870 0.141 0.000 1.143 27 L CA -0.319 54.598 54.840 0.129 0.000 0.937 27 L CB 0.787 42.953 42.059 0.178 0.000 1.225 27 L HN 0.521 nan 8.230 nan 0.000 0.507 28 C N 1.628 121.016 119.300 0.146 0.000 2.303 28 C HA 0.567 5.027 4.460 -0.000 0.000 0.341 28 C C 1.585 176.659 174.990 0.140 0.000 1.244 28 C CA 0.214 59.316 59.018 0.140 0.000 1.765 28 C CB -0.963 26.875 27.740 0.164 0.000 2.379 28 C HN 0.827 nan 8.230 nan 0.000 0.530 29 G N 6.108 114.976 108.800 0.114 0.000 2.256 29 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.272 29 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.272 29 G C -0.192 174.791 174.900 0.138 0.000 1.076 29 G CA 0.480 45.656 45.100 0.128 0.000 0.882 29 G HN 1.384 nan 8.290 nan 0.000 0.497 30 I N -1.940 118.706 120.570 0.127 0.000 2.428 30 I HA 0.662 4.831 4.170 -0.000 0.000 0.296 30 I C -1.930 174.250 176.117 0.105 0.000 0.985 30 I CA -3.187 58.166 61.300 0.089 0.000 1.260 30 I CB 1.786 39.806 38.000 0.034 0.000 1.389 30 I HN -0.077 nan 8.210 nan 0.000 0.484 31 P HA 0.101 nan 4.420 nan 0.000 0.238 31 P C 0.210 177.517 177.300 0.013 0.000 1.794 31 P CA -0.137 63.014 63.100 0.084 0.000 1.088 31 P CB 0.129 31.867 31.700 0.064 0.000 1.923 32 E N 1.751 121.961 120.200 0.017 0.000 2.150 32 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 32 E C 0.972 177.506 176.600 -0.111 0.000 0.985 32 E CA 0.756 57.087 56.400 -0.115 0.000 0.814 32 E CB -0.451 29.202 29.700 -0.078 0.000 0.752 32 E HN 0.288 nan 8.360 nan 0.000 0.466 33 N N 0.886 119.532 118.700 -0.090 0.000 2.270 33 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 33 N C 2.079 177.548 175.510 -0.068 0.000 1.016 33 N CA 0.900 53.887 53.050 -0.104 0.000 0.870 33 N CB 0.024 38.424 38.487 -0.144 0.000 0.979 33 N HN 0.256 nan 8.380 nan 0.000 0.431 34 L N 0.988 122.183 121.223 -0.046 0.000 2.072 34 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 34 L C 2.280 179.111 176.870 -0.066 0.000 1.079 34 L CA 0.697 55.508 54.840 -0.048 0.000 0.752 34 L CB -0.338 41.707 42.059 -0.023 0.000 0.906 34 L HN 0.050 nan 8.230 nan 0.000 0.436 35 I N 0.129 120.652 120.570 -0.077 0.000 2.208 35 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 35 I C 2.612 178.673 176.117 -0.094 0.000 1.097 35 I CA 1.512 62.754 61.300 -0.097 0.000 1.363 35 I CB -0.798 37.118 38.000 -0.141 0.000 1.051 35 I HN 0.283 nan 8.210 nan 0.000 0.413 36 G N 0.379 109.122 108.800 -0.095 0.000 2.422 36 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 36 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 36 G C 1.837 176.704 174.900 -0.055 0.000 1.146 36 G CA 0.783 45.841 45.100 -0.070 0.000 0.769 36 G HN 0.500 nan 8.290 nan 0.000 0.547 37 A N 0.342 123.126 122.820 -0.059 0.000 1.969 37 A HA 0.184 4.504 4.320 -0.000 0.000 0.218 37 A C 2.354 179.900 177.584 -0.063 0.000 1.169 37 A CA 0.902 52.906 52.037 -0.055 0.000 0.635 37 A CB -0.277 18.687 19.000 -0.060 0.000 0.810 37 A HN 0.361 nan 8.150 nan 0.000 0.445 38 L N -0.701 120.479 121.223 -0.072 0.000 2.217 38 L HA -0.092 4.247 4.340 -0.000 0.000 0.211 38 L C 2.338 179.173 176.870 -0.059 0.000 1.107 38 L CA 0.525 55.319 54.840 -0.076 0.000 0.783 38 L CB -0.395 41.615 42.059 -0.082 0.000 0.919 38 L HN 0.395 nan 8.230 nan 0.000 0.442 39 L N -0.375 120.817 121.223 -0.051 0.000 2.056 39 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 39 L C 2.570 179.422 176.870 -0.031 0.000 1.078 39 L CA 1.401 56.219 54.840 -0.037 0.000 0.749 39 L CB -0.400 41.640 42.059 -0.031 0.000 0.901 39 L HN 0.204 nan 8.230 nan 0.000 0.433 40 K N -0.400 119.981 120.400 -0.032 0.000 2.057 40 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 40 K C 2.198 178.781 176.600 -0.028 0.000 1.050 40 K CA 1.870 58.142 56.287 -0.025 0.000 0.935 40 K CB -0.378 32.108 32.500 -0.023 0.000 0.715 40 K HN 0.448 nan 8.250 nan 0.000 0.439 41 T N -1.983 112.548 114.554 -0.040 0.000 2.821 41 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 41 T C 1.624 176.300 174.700 -0.040 0.000 1.046 41 T CA 1.201 63.275 62.100 -0.043 0.000 1.139 41 T CB -0.479 68.350 68.868 -0.065 0.000 0.871 41 T HN 0.397 nan 8.240 nan 0.000 0.454 42 G N 0.676 109.451 108.800 -0.041 0.000 2.147 42 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 42 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 42 G C 0.208 175.085 174.900 -0.039 0.000 1.005 42 G CA 0.145 45.225 45.100 -0.035 0.000 0.713 42 G HN 1.021 nan 8.290 nan 0.000 0.515 43 V N 0.757 120.638 119.914 -0.054 0.000 2.788 43 V HA 0.515 4.635 4.120 -0.000 0.000 0.307 43 V C 0.760 176.826 176.094 -0.046 0.000 1.069 43 V CA 1.240 63.506 62.300 -0.058 0.000 1.173 43 V CB 0.675 32.443 31.823 -0.092 0.000 0.925 43 V HN 0.752 nan 8.190 nan 0.000 0.492 44 K N 3.393 123.773 120.400 -0.035 0.000 2.409 44 K HA 0.639 4.959 4.320 -0.000 0.000 0.252 44 K C -0.054 176.535 176.600 -0.018 0.000 1.036 44 K CA -0.697 55.576 56.287 -0.024 0.000 0.871 44 K CB 1.425 33.914 32.500 -0.019 0.000 1.374 44 K HN 0.493 nan 8.250 nan 0.000 0.459 45 E N 0.243 120.435 120.200 -0.013 0.000 2.791 45 E HA -0.193 4.157 4.350 -0.000 0.000 0.271 45 E C -0.680 175.917 176.600 -0.004 0.000 1.044 45 E CA 0.381 56.777 56.400 -0.006 0.000 0.814 45 E CB -1.462 28.236 29.700 -0.003 0.000 1.400 45 E HN 0.384 nan 8.360 nan 0.000 0.423 46 L N 0.775 121.993 121.223 -0.008 0.000 2.456 46 L HA 0.101 4.441 4.340 -0.000 0.000 0.272 46 L C 0.852 177.724 176.870 0.004 0.000 1.189 46 L CA 0.509 55.346 54.840 -0.004 0.000 0.846 46 L CB 0.490 42.540 42.059 -0.014 0.000 1.111 46 L HN -0.066 nan 8.230 nan 0.000 0.475 47 T N 2.751 117.312 114.554 0.012 0.000 2.762 47 T HA 0.434 4.783 4.350 -0.000 0.000 0.303 47 T C 0.173 174.881 174.700 0.013 0.000 0.977 47 T CA -0.454 61.654 62.100 0.013 0.000 0.961 47 T CB 0.808 69.686 68.868 0.017 0.000 0.944 47 T HN 0.645 nan 8.240 nan 0.000 0.481 48 A N 4.028 126.852 122.820 0.007 0.000 2.260 48 A HA 0.575 4.895 4.320 -0.000 0.000 0.312 48 A C 0.160 177.737 177.584 -0.012 0.000 1.321 48 A CA -0.608 51.429 52.037 -0.000 0.000 0.928 48 A CB 0.233 19.230 19.000 -0.005 0.000 1.158 48 A HN 0.667 nan 8.150 nan 0.000 0.542 49 V N 2.887 122.794 119.914 -0.012 0.000 2.389 49 V HA 0.542 4.661 4.120 -0.000 0.000 0.264 49 V C 0.517 176.568 176.094 -0.072 0.000 1.049 49 V CA 0.224 62.503 62.300 -0.034 0.000 0.932 49 V CB 0.470 32.289 31.823 -0.007 0.000 1.011 49 V HN 0.879 nan 8.190 nan 0.000 0.475 50 S N 3.331 118.951 115.700 -0.133 0.000 2.535 50 S HA 0.335 4.805 4.470 -0.000 0.000 0.272 50 S C 0.609 175.023 174.600 -0.310 0.000 1.149 50 S CA -0.618 57.464 58.200 -0.198 0.000 0.888 50 S CB 1.732 64.854 63.200 -0.129 0.000 1.110 50 S HN 0.749 nan 8.310 nan 0.000 0.463 51 N N 3.426 121.831 118.700 -0.492 0.000 2.084 51 N HA 0.022 4.761 4.740 -0.000 0.000 0.190 51 N C 0.219 175.549 175.510 -0.300 0.000 1.030 51 N CA 1.777 54.504 53.050 -0.537 0.000 0.849 51 N CB -0.056 38.016 38.487 -0.692 0.000 1.012 51 N HN 0.700 nan 8.380 nan 0.000 0.423 52 N N -2.162 116.377 118.700 -0.269 0.000 2.701 52 N HA 0.575 5.315 4.740 -0.000 0.000 0.290 52 N C -1.095 174.275 175.510 -0.233 0.000 1.338 52 N CA -0.424 52.471 53.050 -0.257 0.000 0.799 52 N CB 1.506 39.845 38.487 -0.246 0.000 1.491 52 N HN 0.067 nan 8.380 nan 0.000 0.540 53 A N 0.102 122.762 122.820 -0.267 0.000 2.577 53 A HA 0.617 4.937 4.320 -0.000 0.000 0.280 53 A C 1.070 178.597 177.584 -0.095 0.000 1.331 53 A CA 0.282 52.216 52.037 -0.172 0.000 0.935 53 A CB -1.301 17.566 19.000 -0.222 0.000 1.082 53 A HN 0.931 nan 8.150 nan 0.000 0.525 54 G N -0.428 108.315 108.800 -0.095 0.000 2.596 54 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.295 54 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.295 54 G C 0.484 175.379 174.900 -0.009 0.000 1.240 54 G CA 1.111 46.189 45.100 -0.036 0.000 0.985 54 G HN 1.822 nan 8.290 nan 0.000 0.555 55 V N -2.998 116.947 119.914 0.052 0.000 3.166 55 V HA 0.776 4.896 4.120 -0.000 0.000 0.317 55 V C 1.222 177.359 176.094 0.072 0.000 1.136 55 V CA 0.742 63.077 62.300 0.059 0.000 1.035 55 V CB 1.341 33.215 31.823 0.085 0.000 1.110 55 V HN 0.691 nan 8.190 nan 0.000 0.450 56 D N 1.579 122.017 120.400 0.064 0.000 2.133 56 D HA -0.198 4.442 4.640 -0.000 0.000 0.192 56 D C 1.144 177.490 176.300 0.077 0.000 1.001 56 D CA 2.631 56.670 54.000 0.065 0.000 0.844 56 D CB -0.239 40.592 40.800 0.052 0.000 0.944 56 D HN 0.956 nan 8.370 nan 0.000 0.447 57 N N -1.391 117.371 118.700 0.103 0.000 2.235 57 N HA 0.150 4.890 4.740 -0.000 0.000 0.231 57 N C -0.793 174.871 175.510 0.257 0.000 1.177 57 N CA -0.346 52.782 53.050 0.130 0.000 0.874 57 N CB 0.225 38.770 38.487 0.097 0.000 1.097 57 N HN 0.077 nan 8.380 nan 0.000 0.518 58 F N -0.530 119.425 119.950 0.008 0.000 2.668 58 F HA 0.643 5.170 4.527 -0.000 0.000 0.309 58 F C 0.960 176.764 175.800 0.007 0.000 1.117 58 F CA 0.378 58.383 58.000 0.009 0.000 0.951 58 F CB 1.286 40.293 39.000 0.012 0.000 1.323 58 F HN 0.234 nan 8.300 nan 0.000 0.451 59 G N 2.324 110.783 108.800 -0.568 0.000 2.550 59 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.277 59 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.277 59 G C 0.437 175.219 174.900 -0.198 0.000 1.190 59 G CA 0.320 45.214 45.100 -0.344 0.000 0.971 59 G HN 1.119 nan 8.290 nan 0.000 0.559 60 L N 2.353 123.510 121.223 -0.109 0.000 2.275 60 L HA 0.271 4.610 4.340 -0.000 0.000 0.215 60 L C 3.017 179.868 176.870 -0.030 0.000 1.119 60 L CA 2.883 57.682 54.840 -0.069 0.000 0.790 60 L CB -0.843 41.183 42.059 -0.055 0.000 0.919 60 L HN 0.977 nan 8.230 nan 0.000 0.443 61 G N -0.640 108.152 108.800 -0.013 0.000 2.450 61 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.220 61 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.220 61 G C 1.589 176.500 174.900 0.020 0.000 1.130 61 G CA 0.962 46.078 45.100 0.028 0.000 0.760 61 G HN 0.417 nan 8.290 nan 0.000 0.557 62 L N -0.267 120.951 121.223 -0.008 0.000 2.042 62 L HA -0.043 4.296 4.340 -0.000 0.000 0.210 62 L C 2.788 179.650 176.870 -0.014 0.000 1.076 62 L CA 0.739 55.573 54.840 -0.010 0.000 0.749 62 L CB -0.301 41.731 42.059 -0.045 0.000 0.893 62 L HN 0.207 nan 8.230 nan 0.000 0.432 63 L N -0.957 120.251 121.223 -0.025 0.000 2.313 63 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 63 L C 2.326 179.193 176.870 -0.005 0.000 1.119 63 L CA 0.531 55.358 54.840 -0.021 0.000 0.809 63 L CB -0.209 41.831 42.059 -0.031 0.000 0.933 63 L HN 0.277 nan 8.230 nan 0.000 0.449 64 L N -0.854 120.375 121.223 0.010 0.000 2.109 64 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 64 L C 2.561 179.438 176.870 0.012 0.000 1.086 64 L CA 0.759 55.611 54.840 0.019 0.000 0.760 64 L CB -0.231 41.860 42.059 0.053 0.000 0.910 64 L HN 0.237 nan 8.230 nan 0.000 0.437 65 Q N 0.141 119.950 119.800 0.015 0.000 2.124 65 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 65 Q C 2.187 178.189 176.000 0.004 0.000 0.977 65 Q CA 1.880 57.691 55.803 0.013 0.000 0.850 65 Q CB 0.010 28.760 28.738 0.020 0.000 0.901 65 Q HN 0.511 nan 8.270 nan 0.000 0.429 66 S N -1.094 114.606 115.700 -0.001 0.000 2.575 66 S HA 0.149 4.619 4.470 -0.000 0.000 0.215 66 S C 0.191 174.786 174.600 -0.008 0.000 0.966 66 S CA 0.048 58.245 58.200 -0.005 0.000 0.911 66 S CB 0.050 63.244 63.200 -0.010 0.000 0.780 66 S HN 0.336 nan 8.310 nan 0.000 0.514 67 K N 0.487 120.882 120.400 -0.007 0.000 3.069 67 K HA -0.234 4.085 4.320 -0.000 0.000 0.267 67 K C 0.578 177.171 176.600 -0.012 0.000 1.082 67 K CA 0.968 57.249 56.287 -0.010 0.000 0.782 67 K CB -1.652 30.842 32.500 -0.010 0.000 1.230 67 K HN 0.594 nan 8.250 nan 0.000 0.488 68 Q N -0.207 119.585 119.800 -0.014 0.000 2.425 68 Q HA 0.140 4.479 4.340 -0.000 0.000 0.204 68 Q C 0.321 176.312 176.000 -0.016 0.000 0.933 68 Q CA 0.474 56.266 55.803 -0.018 0.000 0.939 68 Q CB 0.347 29.070 28.738 -0.026 0.000 1.044 68 Q HN 0.434 nan 8.270 nan 0.000 0.513 69 I N 0.803 121.367 120.570 -0.011 0.000 2.354 69 I HA 0.110 4.280 4.170 -0.000 0.000 0.292 69 I C 0.857 176.970 176.117 -0.006 0.000 0.989 69 I CA -0.264 61.032 61.300 -0.006 0.000 1.188 69 I CB 1.580 39.582 38.000 0.003 0.000 1.342 69 I HN -0.044 nan 8.210 nan 0.000 0.457 70 K N 5.834 126.232 120.400 -0.004 0.000 2.141 70 K HA 0.165 4.484 4.320 -0.000 0.000 0.202 70 K C 0.795 177.395 176.600 -0.001 0.000 1.045 70 K CA 0.519 56.804 56.287 -0.003 0.000 0.971 70 K CB 0.532 33.032 32.500 -0.000 0.000 0.795 70 K HN 0.529 nan 8.250 nan 0.000 0.459 71 R N 0.596 121.098 120.500 0.004 0.000 2.621 71 R HA 0.281 4.621 4.340 -0.000 0.000 0.292 71 R C -1.194 175.114 176.300 0.013 0.000 0.969 71 R CA -0.610 55.494 56.100 0.006 0.000 0.887 71 R CB 1.320 31.624 30.300 0.007 0.000 1.180 71 R HN 0.036 nan 8.270 nan 0.000 0.450 72 M N 5.555 125.170 119.600 0.024 0.000 2.268 72 M HA 0.400 4.880 4.480 -0.000 0.000 0.344 72 M C -0.700 175.605 176.300 0.010 0.000 1.106 72 M CA -0.540 54.785 55.300 0.042 0.000 1.010 72 M CB 1.611 34.303 32.600 0.153 0.000 1.649 72 M HN 0.548 nan 8.290 nan 0.000 0.443 73 I N 2.341 122.901 120.570 -0.015 0.000 2.359 73 I HA 0.398 4.568 4.170 -0.000 0.000 0.284 73 I C -0.213 175.859 176.117 -0.074 0.000 1.018 73 I CA -0.083 61.196 61.300 -0.035 0.000 1.173 73 I CB 1.115 39.100 38.000 -0.025 0.000 1.326 73 I HN 0.593 nan 8.210 nan 0.000 0.462 74 S N 2.068 117.715 115.700 -0.089 0.000 2.607 74 S HA 0.310 4.780 4.470 -0.000 0.000 0.273 74 S C 0.462 174.994 174.600 -0.113 0.000 1.148 74 S CA -0.548 57.568 58.200 -0.140 0.000 0.833 74 S CB 2.083 65.173 63.200 -0.183 0.000 1.130 74 S HN 0.701 nan 8.310 nan 0.000 0.470 75 S N -0.054 115.583 115.700 -0.105 0.000 2.514 75 S HA 0.291 4.761 4.470 -0.000 0.000 0.223 75 S C -0.205 174.436 174.600 0.069 0.000 1.046 75 S CA 0.080 58.264 58.200 -0.028 0.000 0.914 75 S CB 0.010 63.214 63.200 0.006 0.000 0.807 75 S HN 0.711 nan 8.310 nan 0.000 0.497 76 Y N 0.437 120.642 120.300 -0.158 0.000 2.401 76 Y HA 0.539 5.089 4.550 -0.000 0.000 0.330 76 Y C 0.324 176.052 175.900 -0.286 0.000 1.071 76 Y CA -1.139 56.870 58.100 -0.153 0.000 1.049 76 Y CB 1.550 39.949 38.460 -0.102 0.000 1.239 76 Y HN -0.138 nan 8.280 nan 0.000 0.437 77 V N 4.828 124.233 119.914 -0.849 0.000 2.302 77 V HA 0.154 4.273 4.120 -0.000 0.000 0.243 77 V C 1.543 177.153 176.094 -0.807 0.000 1.036 77 V CA 1.919 63.656 62.300 -0.938 0.000 1.020 77 V CB -1.114 30.242 31.823 -0.779 0.000 0.657 77 V HN 1.265 nan 8.190 nan 0.000 0.453 78 G N 0.772 108.906 108.800 -1.111 0.000 2.527 78 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.268 78 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.268 78 G C -0.107 174.649 174.900 -0.240 0.000 1.175 78 G CA 0.175 44.899 45.100 -0.627 0.000 0.962 78 G HN 0.426 nan 8.290 nan 0.000 0.560 79 E N 2.059 122.202 120.200 -0.094 0.000 2.341 79 E HA 0.277 4.627 4.350 -0.000 0.000 0.279 79 E C 0.136 176.722 176.600 -0.023 0.000 1.395 79 E CA -0.304 56.077 56.400 -0.031 0.000 1.648 79 E CB -0.028 29.678 29.700 0.011 0.000 1.524 79 E HN 0.400 nan 8.360 nan 0.000 0.462 80 N N 0.734 119.414 118.700 -0.034 0.000 2.623 80 N HA 0.227 4.967 4.740 -0.000 0.000 0.256 80 N C 0.377 175.940 175.510 0.087 0.000 1.045 80 N CA -0.152 52.915 53.050 0.027 0.000 0.863 80 N CB 1.309 39.809 38.487 0.020 0.000 1.182 80 N HN 0.086 nan 8.380 nan 0.000 0.523 81 A N 2.428 125.288 122.820 0.067 0.000 1.933 81 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 81 A C 1.834 179.468 177.584 0.083 0.000 1.175 81 A CA 1.492 53.571 52.037 0.069 0.000 0.628 81 A CB -0.252 18.772 19.000 0.040 0.000 0.814 81 A HN 0.662 nan 8.150 nan 0.000 0.444 82 E N -0.588 119.661 120.200 0.082 0.000 2.110 82 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 82 E C 1.588 178.240 176.600 0.086 0.000 0.988 82 E CA 1.474 57.914 56.400 0.067 0.000 0.804 82 E CB -0.499 29.235 29.700 0.058 0.000 0.745 82 E HN 0.595 nan 8.360 nan 0.000 0.458 83 F N 1.242 121.196 119.950 0.006 0.000 2.075 83 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 83 F C 2.284 178.122 175.800 0.063 0.000 1.113 83 F CA 2.220 60.227 58.000 0.012 0.000 1.218 83 F CB -0.357 38.625 39.000 -0.031 0.000 0.984 83 F HN 0.110 nan 8.300 nan 0.000 0.472 84 E N 0.205 120.613 120.200 0.346 0.000 2.085 84 E HA -0.292 4.057 4.350 -0.000 0.000 0.194 84 E C 2.519 179.159 176.600 0.067 0.000 0.994 84 E CA 1.340 57.900 56.400 0.267 0.000 0.801 84 E CB -0.275 29.554 29.700 0.215 0.000 0.743 84 E HN 0.406 nan 8.360 nan 0.000 0.453 85 R N 0.212 120.727 120.500 0.024 0.000 2.070 85 R HA -0.190 4.150 4.340 -0.000 0.000 0.232 85 R C 2.433 178.698 176.300 -0.058 0.000 1.138 85 R CA 2.038 58.124 56.100 -0.023 0.000 0.936 85 R CB -0.158 30.134 30.300 -0.012 0.000 0.839 85 R HN 0.282 nan 8.270 nan 0.000 0.429 86 Q N -0.933 118.820 119.800 -0.078 0.000 2.135 86 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 86 Q C 1.919 177.870 176.000 -0.082 0.000 0.981 86 Q CA 1.806 57.553 55.803 -0.093 0.000 0.856 86 Q CB -0.260 28.407 28.738 -0.118 0.000 0.902 86 Q HN 0.413 nan 8.270 nan 0.000 0.425 87 Y N 1.099 121.208 120.300 -0.319 0.000 2.133 87 Y HA -0.161 4.389 4.550 -0.000 0.000 0.287 87 Y C 1.766 177.667 175.900 0.002 0.000 1.134 87 Y CA 1.251 59.206 58.100 -0.243 0.000 1.133 87 Y CB -0.386 37.817 38.460 -0.428 0.000 0.987 87 Y HN -0.003 nan 8.280 nan 0.000 0.502 88 L N -0.230 120.868 121.223 -0.208 0.000 2.141 88 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 88 L C 2.607 179.311 176.870 -0.276 0.000 1.094 88 L CA 1.065 55.677 54.840 -0.381 0.000 0.763 88 L CB -0.790 41.092 42.059 -0.294 0.000 0.908 88 L HN 0.311 nan 8.230 nan 0.000 0.437 89 A N -0.543 122.192 122.820 -0.143 0.000 2.119 89 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 89 A C 1.811 179.364 177.584 -0.053 0.000 1.152 89 A CA 0.997 52.976 52.037 -0.097 0.000 0.708 89 A CB -0.403 18.557 19.000 -0.068 0.000 0.805 89 A HN 0.524 nan 8.150 nan 0.000 0.460 90 G N -1.074 107.717 108.800 -0.015 0.000 2.141 90 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 90 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 90 G C 0.437 175.345 174.900 0.014 0.000 0.984 90 G CA 0.589 45.707 45.100 0.030 0.000 0.660 90 G HN 0.563 nan 8.290 nan 0.000 0.525 91 E N -1.319 118.879 120.200 -0.004 0.000 2.276 91 E HA 0.329 4.679 4.350 -0.000 0.000 0.193 91 E C 0.685 177.278 176.600 -0.012 0.000 0.983 91 E CA 0.326 56.719 56.400 -0.012 0.000 0.861 91 E CB 0.563 30.247 29.700 -0.026 0.000 0.817 91 E HN 0.400 nan 8.360 nan 0.000 0.485 92 L N 1.389 122.607 121.223 -0.008 0.000 2.385 92 L HA 0.303 4.642 4.340 -0.000 0.000 0.273 92 L C -1.079 175.814 176.870 0.040 0.000 0.990 92 L CA -0.560 54.265 54.840 -0.025 0.000 0.821 92 L CB 1.844 43.824 42.059 -0.132 0.000 1.279 92 L HN -0.207 nan 8.230 nan 0.000 0.412 93 E N 3.359 123.572 120.200 0.022 0.000 2.283 93 E HA 0.569 4.919 4.350 -0.000 0.000 0.278 93 E C -1.281 175.319 176.600 0.001 0.000 1.027 93 E CA -0.524 55.901 56.400 0.042 0.000 0.843 93 E CB 1.897 31.610 29.700 0.021 0.000 1.062 93 E HN 0.398 nan 8.360 nan 0.000 0.401 94 V N 3.244 123.150 119.914 -0.013 0.000 2.532 94 V HA 0.104 4.224 4.120 -0.000 0.000 0.294 94 V C -0.706 175.354 176.094 -0.057 0.000 1.036 94 V CA -0.734 61.502 62.300 -0.107 0.000 0.876 94 V CB 1.639 33.192 31.823 -0.450 0.000 1.012 94 V HN 0.669 nan 8.190 nan 0.000 0.432 95 E N 5.046 125.232 120.200 -0.024 0.000 1.963 95 E HA 0.359 4.708 4.350 -0.000 0.000 0.274 95 E C -0.663 175.924 176.600 -0.022 0.000 1.061 95 E CA -0.339 56.054 56.400 -0.011 0.000 0.847 95 E CB 1.046 30.739 29.700 -0.012 0.000 1.083 95 E HN 0.542 nan 8.360 nan 0.000 0.402 96 L N 3.523 124.747 121.223 0.001 0.000 2.433 96 L HA 0.110 4.450 4.340 -0.000 0.000 0.275 96 L C 0.127 176.954 176.870 -0.071 0.000 1.128 96 L CA 0.358 55.195 54.840 -0.006 0.000 0.875 96 L CB 0.127 42.259 42.059 0.122 0.000 1.171 96 L HN 0.379 nan 8.230 nan 0.000 0.463 97 T N 4.094 118.596 114.554 -0.087 0.000 2.824 97 T HA 0.365 4.715 4.350 -0.000 0.000 0.282 97 T C -2.508 172.120 174.700 -0.121 0.000 0.993 97 T CA -1.652 60.388 62.100 -0.100 0.000 0.967 97 T CB 1.886 70.716 68.868 -0.062 0.000 0.960 97 T HN 0.211 nan 8.240 nan 0.000 0.441 98 P HA 0.051 nan 4.420 nan 0.000 0.262 98 P C 0.827 178.019 177.300 -0.179 0.000 1.182 98 P CA 0.132 63.129 63.100 -0.172 0.000 0.761 98 P CB 0.602 32.201 31.700 -0.168 0.000 0.795 99 Q N 3.197 122.874 119.800 -0.206 0.000 2.077 99 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 99 Q C 2.121 177.820 176.000 -0.503 0.000 0.989 99 Q CA 2.370 58.069 55.803 -0.173 0.000 0.853 99 Q CB -0.816 27.937 28.738 0.024 0.000 0.907 99 Q HN 0.680 nan 8.270 nan 0.000 0.418 100 G N -0.863 107.127 108.800 -1.349 0.000 2.432 100 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.219 100 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.219 100 G C 1.315 176.035 174.900 -0.299 0.000 1.135 100 G CA 1.236 45.630 45.100 -1.176 0.000 0.767 100 G HN 0.370 nan 8.290 nan 0.000 0.550 101 T N 1.010 115.458 114.554 -0.176 0.000 2.777 101 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 101 T C 2.235 176.984 174.700 0.082 0.000 1.040 101 T CA 1.022 63.144 62.100 0.036 0.000 1.141 101 T CB -0.213 68.661 68.868 0.010 0.000 0.868 101 T HN 0.125 nan 8.240 nan 0.000 0.444 102 L N 1.491 122.737 121.223 0.039 0.000 2.042 102 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 102 L C 2.557 179.556 176.870 0.215 0.000 1.076 102 L CA 1.905 56.817 54.840 0.119 0.000 0.749 102 L CB -0.957 41.166 42.059 0.106 0.000 0.893 102 L HN 0.235 nan 8.230 nan 0.000 0.432 103 A N -1.167 121.770 122.820 0.196 0.000 1.898 103 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 103 A C 2.258 179.841 177.584 -0.002 0.000 1.181 103 A CA 1.533 53.616 52.037 0.077 0.000 0.620 103 A CB -0.590 18.332 19.000 -0.130 0.000 0.819 103 A HN 0.487 nan 8.150 nan 0.000 0.442 104 E N 0.085 120.275 120.200 -0.016 0.000 2.152 104 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 104 E C 2.132 178.686 176.600 -0.075 0.000 0.983 104 E CA 1.088 57.396 56.400 -0.153 0.000 0.818 104 E CB -0.191 29.334 29.700 -0.290 0.000 0.758 104 E HN 0.580 nan 8.360 nan 0.000 0.467 105 R N -0.274 120.338 120.500 0.187 0.000 2.092 105 R HA 0.026 4.366 4.340 -0.000 0.000 0.231 105 R C 2.407 178.783 176.300 0.125 0.000 1.119 105 R CA 1.346 57.608 56.100 0.269 0.000 0.970 105 R CB -0.288 30.147 30.300 0.226 0.000 0.864 105 R HN 0.256 nan 8.270 nan 0.000 0.440 106 I N 0.328 120.954 120.570 0.092 0.000 2.226 106 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 106 I C 2.784 178.908 176.117 0.012 0.000 1.100 106 I CA 1.147 62.486 61.300 0.064 0.000 1.374 106 I CB -0.248 37.812 38.000 0.100 0.000 1.057 106 I HN 0.151 nan 8.210 nan 0.000 0.413 107 R N 1.240 121.722 120.500 -0.030 0.000 2.070 107 R HA -0.200 4.139 4.340 -0.000 0.000 0.233 107 R C 2.418 178.682 176.300 -0.060 0.000 1.137 107 R CA 1.750 57.802 56.100 -0.079 0.000 0.945 107 R CB -0.341 29.879 30.300 -0.132 0.000 0.845 107 R HN 0.346 nan 8.270 nan 0.000 0.430 108 A N 0.325 123.111 122.820 -0.057 0.000 1.917 108 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 108 A C 2.343 179.945 177.584 0.030 0.000 1.182 108 A CA 1.951 53.984 52.037 -0.006 0.000 0.633 108 A CB -1.324 17.736 19.000 0.100 0.000 0.819 108 A HN 0.616 nan 8.150 nan 0.000 0.448 109 G N -1.250 107.574 108.800 0.041 0.000 2.448 109 G HA2 0.097 4.056 3.960 -0.000 0.000 0.219 109 G HA3 0.097 4.056 3.960 -0.000 0.000 0.219 109 G C 1.291 176.210 174.900 0.031 0.000 1.127 109 G CA 1.217 46.341 45.100 0.041 0.000 0.766 109 G HN 0.770 nan 8.290 nan 0.000 0.552 110 G N -0.204 108.605 108.800 0.015 0.000 2.796 110 G HA2 0.338 4.298 3.960 -0.000 0.000 0.210 110 G HA3 0.338 4.298 3.960 -0.000 0.000 0.210 110 G C 1.342 176.268 174.900 0.043 0.000 1.146 110 G CA 0.970 46.084 45.100 0.023 0.000 0.779 110 G HN 0.546 nan 8.290 nan 0.000 0.535 111 A N -0.224 122.608 122.820 0.020 0.000 2.423 111 A HA 0.526 4.846 4.320 -0.000 0.000 0.246 111 A C 1.761 179.360 177.584 0.025 0.000 1.278 111 A CA 0.967 53.017 52.037 0.022 0.000 0.903 111 A CB -0.330 18.662 19.000 -0.013 0.000 0.997 111 A HN 1.394 nan 8.150 nan 0.000 0.510 112 G N -1.136 107.683 108.800 0.032 0.000 2.143 112 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.248 112 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.248 112 G C 0.074 174.992 174.900 0.030 0.000 0.991 112 G CA 0.281 45.400 45.100 0.032 0.000 0.689 112 G HN 0.840 nan 8.290 nan 0.000 0.522 113 V N 1.835 121.770 119.914 0.034 0.000 2.350 113 V HA 0.376 4.496 4.120 -0.000 0.000 0.276 113 V C -0.161 175.977 176.094 0.073 0.000 1.028 113 V CA -0.683 61.647 62.300 0.050 0.000 0.860 113 V CB 1.708 33.557 31.823 0.045 0.000 0.990 113 V HN 0.164 nan 8.190 nan 0.000 0.453 114 P HA 0.158 nan 4.420 nan 0.000 0.224 114 P C 0.210 177.534 177.300 0.040 0.000 1.157 114 P CA 0.768 63.895 63.100 0.045 0.000 0.799 114 P CB 0.856 32.571 31.700 0.024 0.000 0.809 115 A N -0.905 121.945 122.820 0.051 0.000 2.610 115 A HA 0.685 5.004 4.320 -0.000 0.000 0.291 115 A C -1.474 176.137 177.584 0.046 0.000 1.086 115 A CA -0.622 51.393 52.037 -0.037 0.000 0.677 115 A CB 0.650 19.554 19.000 -0.159 0.000 1.278 115 A HN 0.119 nan 8.150 nan 0.000 0.414 116 F N -1.991 117.844 119.950 -0.192 0.000 2.779 116 F HA 0.829 5.355 4.527 -0.000 0.000 0.316 116 F C -1.833 173.801 175.800 -0.275 0.000 1.164 116 F CA -1.351 56.547 58.000 -0.170 0.000 0.924 116 F CB 0.747 39.700 39.000 -0.078 0.000 1.348 116 F HN 0.501 nan 8.300 nan 0.000 0.467 117 Y N 0.038 120.403 120.300 0.108 0.000 2.446 117 Y HA 0.688 5.238 4.550 -0.000 0.000 0.338 117 Y C 0.252 176.283 175.900 0.219 0.000 1.055 117 Y CA -0.624 57.504 58.100 0.046 0.000 1.101 117 Y CB 2.206 40.636 38.460 -0.049 0.000 1.221 117 Y HN 0.899 nan 8.280 nan 0.000 0.460 118 T N -0.354 114.471 114.554 0.451 0.000 2.889 118 T HA 0.262 4.612 4.350 -0.000 0.000 0.315 118 T C 0.372 175.366 174.700 0.490 0.000 1.291 118 T CA -0.184 62.209 62.100 0.488 0.000 1.028 118 T CB 0.885 69.976 68.868 0.371 0.000 1.235 118 T HN 0.656 nan 8.240 nan 0.000 0.491 119 S N 1.492 117.416 115.700 0.374 0.000 2.528 119 S HA 0.118 4.588 4.470 -0.000 0.000 0.219 119 S C 0.854 175.519 174.600 0.108 0.000 0.985 119 S CA 0.030 58.256 58.200 0.044 0.000 0.914 119 S CB -0.400 62.657 63.200 -0.237 0.000 0.776 119 S HN 0.753 nan 8.310 nan 0.000 0.526 120 T N 2.799 117.432 114.554 0.132 0.000 2.831 120 T HA 0.447 4.797 4.350 -0.000 0.000 0.291 120 T C 1.323 176.060 174.700 0.062 0.000 0.981 120 T CA 0.866 63.015 62.100 0.083 0.000 1.174 120 T CB 0.189 69.093 68.868 0.061 0.000 0.929 120 T HN 0.889 nan 8.240 nan 0.000 0.532 121 G N 2.762 111.582 108.800 0.033 0.000 2.175 121 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 121 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 121 G C 0.009 174.938 174.900 0.048 0.000 0.982 121 G CA -0.122 44.976 45.100 -0.004 0.000 0.641 121 G HN 0.809 nan 8.290 nan 0.000 0.527 122 Y N 1.222 121.517 120.300 -0.008 0.000 2.511 122 Y HA 0.365 4.915 4.550 -0.000 0.000 0.332 122 Y C 1.481 177.375 175.900 -0.010 0.000 1.177 122 Y CA 1.099 59.196 58.100 -0.005 0.000 1.422 122 Y CB 0.836 39.289 38.460 -0.013 0.000 1.271 122 Y HN 1.412 nan 8.280 nan 0.000 0.550 123 G N 3.254 111.548 108.800 -0.844 0.000 2.153 123 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 123 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 123 G C 0.087 174.860 174.900 -0.211 0.000 0.994 123 G CA 0.638 45.395 45.100 -0.571 0.000 0.698 123 G HN 1.219 nan 8.290 nan 0.000 0.521 124 T N -3.503 110.971 114.554 -0.133 0.000 2.773 124 T HA 0.696 5.046 4.350 -0.000 0.000 0.278 124 T C 1.472 176.182 174.700 0.017 0.000 1.011 124 T CA -0.232 61.863 62.100 -0.008 0.000 1.014 124 T CB 1.219 70.091 68.868 0.007 0.000 1.293 124 T HN 0.235 nan 8.240 nan 0.000 0.554 125 L N 0.792 122.088 121.223 0.120 0.000 2.265 125 L HA -0.039 4.301 4.340 -0.000 0.000 0.215 125 L C 2.737 179.644 176.870 0.062 0.000 1.117 125 L CA 0.618 55.536 54.840 0.131 0.000 0.782 125 L CB -0.670 41.563 42.059 0.290 0.000 0.914 125 L HN 0.548 nan 8.230 nan 0.000 0.441 126 V N -0.310 119.602 119.914 -0.003 0.000 2.295 126 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 126 V C 2.495 178.581 176.094 -0.012 0.000 1.049 126 V CA 1.994 64.272 62.300 -0.037 0.000 1.024 126 V CB -0.518 31.248 31.823 -0.095 0.000 0.648 126 V HN 0.546 nan 8.190 nan 0.000 0.447 127 Q N 0.203 119.997 119.800 -0.011 0.000 2.033 127 Q HA -0.193 4.146 4.340 -0.000 0.000 0.196 127 Q C 2.156 178.154 176.000 -0.003 0.000 0.970 127 Q CA 1.839 57.647 55.803 0.008 0.000 0.828 127 Q CB -0.073 28.665 28.738 -0.000 0.000 0.895 127 Q HN 0.737 nan 8.270 nan 0.000 0.440 128 E N -0.186 119.998 120.200 -0.026 0.000 2.274 128 E HA 0.083 4.432 4.350 -0.000 0.000 0.194 128 E C 0.722 177.324 176.600 0.004 0.000 0.996 128 E CA 0.396 56.784 56.400 -0.020 0.000 0.840 128 E CB 0.003 29.683 29.700 -0.033 0.000 0.772 128 E HN 0.539 nan 8.360 nan 0.000 0.491 129 G N -0.744 108.066 108.800 0.017 0.000 2.795 129 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.664 129 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.664 129 G C 0.570 175.492 174.900 0.036 0.000 1.381 129 G CA -0.490 44.624 45.100 0.023 0.000 0.853 129 G HN 0.669 nan 8.290 nan 0.000 0.545 130 G N -1.852 106.968 108.800 0.033 0.000 2.157 130 G HA2 0.102 4.062 3.960 -0.000 0.000 0.239 130 G HA3 0.102 4.062 3.960 -0.000 0.000 0.239 130 G C 0.761 175.695 174.900 0.056 0.000 0.982 130 G CA 1.462 46.583 45.100 0.033 0.000 0.650 130 G HN 2.290 nan 8.290 nan 0.000 0.527 131 S N 1.671 117.425 115.700 0.090 0.000 2.510 131 S HA 0.536 5.006 4.470 -0.000 0.000 0.279 131 S C -2.030 172.617 174.600 0.079 0.000 1.284 131 S CA -0.868 57.423 58.200 0.151 0.000 1.059 131 S CB 0.793 64.123 63.200 0.217 0.000 0.901 131 S HN 0.164 nan 8.310 nan 0.000 0.491 132 P HA 0.158 nan 4.420 nan 0.000 0.265 132 P C 0.255 177.561 177.300 0.010 0.000 1.222 132 P CA 0.131 63.157 63.100 -0.122 0.000 0.767 132 P CB 0.278 31.744 31.700 -0.391 0.000 0.801 133 I N 2.065 122.618 120.570 -0.027 0.000 2.628 133 I HA 0.062 4.232 4.170 -0.000 0.000 0.255 133 I C 1.176 177.331 176.117 0.063 0.000 1.119 133 I CA 0.876 62.201 61.300 0.042 0.000 1.448 133 I CB 0.116 38.122 38.000 0.011 0.000 1.133 133 I HN 0.262 nan 8.210 nan 0.000 0.438 134 K N 0.066 120.423 120.400 -0.071 0.000 2.468 134 K HA 0.394 4.714 4.320 -0.000 0.000 0.252 134 K C -1.719 174.744 176.600 -0.228 0.000 0.932 134 K CA -0.569 55.675 56.287 -0.071 0.000 0.794 134 K CB 1.992 34.483 32.500 -0.016 0.000 1.241 134 K HN -0.244 nan 8.250 nan 0.000 0.428 135 Y N 1.283 121.542 120.300 -0.068 0.000 2.387 135 Y HA 0.307 4.857 4.550 -0.000 0.000 0.330 135 Y C 0.720 176.576 175.900 -0.072 0.000 1.133 135 Y CA -0.578 57.458 58.100 -0.107 0.000 1.152 135 Y CB 1.199 39.537 38.460 -0.203 0.000 1.215 135 Y HN 0.549 nan 8.280 nan 0.000 0.466 136 N N 1.306 120.082 118.700 0.126 0.000 2.445 136 N HA 0.112 4.852 4.740 -0.000 0.000 0.264 136 N C 0.512 176.040 175.510 0.029 0.000 1.227 136 N CA -0.168 52.914 53.050 0.054 0.000 0.963 136 N CB 0.837 39.344 38.487 0.035 0.000 1.188 136 N HN 0.604 nan 8.380 nan 0.000 0.491 137 K N 0.065 120.467 120.400 0.004 0.000 2.439 137 K HA -0.076 4.243 4.320 -0.000 0.000 0.197 137 K C 0.402 176.984 176.600 -0.030 0.000 1.041 137 K CA 0.685 56.961 56.287 -0.019 0.000 0.970 137 K CB 0.109 32.598 32.500 -0.017 0.000 0.773 137 K HN 0.528 nan 8.250 nan 0.000 0.479 138 D N -0.491 119.896 120.400 -0.021 0.000 2.328 138 D HA 0.012 4.652 4.640 -0.000 0.000 0.226 138 D C 1.024 177.299 176.300 -0.042 0.000 1.066 138 D CA 0.594 54.576 54.000 -0.029 0.000 0.861 138 D CB 0.286 41.076 40.800 -0.018 0.000 0.912 138 D HN 0.220 nan 8.370 nan 0.000 0.521 139 G N 0.207 108.974 108.800 -0.055 0.000 2.175 139 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.244 139 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.244 139 G C 0.342 175.223 174.900 -0.031 0.000 0.982 139 G CA 0.343 45.377 45.100 -0.110 0.000 0.641 139 G HN 0.786 nan 8.290 nan 0.000 0.527 140 S N -0.379 115.351 115.700 0.050 0.000 2.687 140 S HA 0.767 5.237 4.470 -0.000 0.000 0.283 140 S C 0.212 174.928 174.600 0.193 0.000 1.170 140 S CA -0.862 57.400 58.200 0.103 0.000 1.008 140 S CB 1.857 65.084 63.200 0.045 0.000 1.026 140 S HN 0.574 nan 8.310 nan 0.000 0.541 141 I N 2.241 122.891 120.570 0.134 0.000 2.363 141 I HA 0.293 4.462 4.170 -0.000 0.000 0.292 141 I C 1.265 177.362 176.117 -0.033 0.000 1.075 141 I CA -0.386 60.903 61.300 -0.017 0.000 1.333 141 I CB 0.715 38.657 38.000 -0.097 0.000 1.415 141 I HN 0.921 nan 8.210 nan 0.000 0.502 142 A N 7.638 130.430 122.820 -0.046 0.000 1.855 142 A HA 0.245 4.565 4.320 -0.000 0.000 0.213 142 A C 0.958 178.519 177.584 -0.038 0.000 1.195 142 A CA 0.994 53.015 52.037 -0.026 0.000 0.610 142 A CB -0.003 18.990 19.000 -0.011 0.000 0.837 142 A HN 0.620 nan 8.150 nan 0.000 0.444 143 I N -0.583 119.950 120.570 -0.062 0.000 2.465 143 I HA 0.582 4.752 4.170 -0.000 0.000 0.291 143 I C -0.122 175.957 176.117 -0.064 0.000 1.014 143 I CA -0.646 60.626 61.300 -0.046 0.000 1.093 143 I CB 2.025 40.008 38.000 -0.028 0.000 1.267 143 I HN 0.230 nan 8.210 nan 0.000 0.431 144 A N 3.876 126.673 122.820 -0.039 0.000 2.354 144 A HA 0.748 5.068 4.320 -0.000 0.000 0.321 144 A C -0.055 177.525 177.584 -0.007 0.000 1.125 144 A CA -0.575 51.445 52.037 -0.029 0.000 0.799 144 A CB 1.473 20.460 19.000 -0.021 0.000 1.293 144 A HN 0.751 nan 8.150 nan 0.000 0.452 145 S N 1.152 116.857 115.700 0.009 0.000 2.564 145 S HA 0.342 4.811 4.470 -0.000 0.000 0.278 145 S C -0.144 174.462 174.600 0.009 0.000 1.333 145 S CA -0.287 57.921 58.200 0.013 0.000 1.048 145 S CB 0.282 63.498 63.200 0.027 0.000 0.900 145 S HN 0.588 nan 8.310 nan 0.000 0.505 146 K N 2.366 122.768 120.400 0.004 0.000 2.154 146 K HA 0.399 4.719 4.320 -0.000 0.000 0.264 146 K C -2.469 174.134 176.600 0.004 0.000 1.008 146 K CA -1.853 54.435 56.287 0.003 0.000 0.937 146 K CB 0.113 32.612 32.500 -0.001 0.000 1.002 146 K HN 0.468 nan 8.250 nan 0.000 0.469 147 P HA 0.106 nan 4.420 nan 0.000 0.272 147 P C -0.803 176.503 177.300 0.010 0.000 1.230 147 P CA -0.244 62.863 63.100 0.011 0.000 0.788 147 P CB 0.598 32.307 31.700 0.015 0.000 0.949 148 R N 1.390 121.901 120.500 0.019 0.000 2.474 148 R HA 0.300 4.640 4.340 -0.000 0.000 0.295 148 R C 0.093 176.431 176.300 0.062 0.000 0.980 148 R CA -0.657 55.456 56.100 0.020 0.000 0.934 148 R CB 0.613 30.921 30.300 0.013 0.000 1.101 148 R HN 0.543 nan 8.270 nan 0.000 0.469 149 E N 1.356 121.593 120.200 0.062 0.000 2.376 149 E HA 0.091 4.441 4.350 -0.000 0.000 0.266 149 E C -0.276 176.446 176.600 0.203 0.000 1.009 149 E CA -0.040 56.428 56.400 0.114 0.000 0.902 149 E CB 0.920 30.683 29.700 0.105 0.000 0.972 149 E HN 0.130 nan 8.360 nan 0.000 0.439 150 V N 3.939 123.983 119.914 0.216 0.000 2.539 150 V HA 0.450 4.569 4.120 -0.000 0.000 0.292 150 V C 0.147 176.383 176.094 0.238 0.000 1.045 150 V CA -0.427 62.040 62.300 0.280 0.000 0.945 150 V CB 1.427 33.429 31.823 0.298 0.000 0.993 150 V HN 0.637 nan 8.190 nan 0.000 0.464 151 R N 2.483 123.115 120.500 0.220 0.000 2.626 151 R HA 0.407 4.747 4.340 -0.000 0.000 0.274 151 R C -1.011 175.209 176.300 -0.133 0.000 1.031 151 R CA -0.599 55.481 56.100 -0.033 0.000 0.898 151 R CB 1.930 32.096 30.300 -0.224 0.000 1.222 151 R HN 0.831 nan 8.270 nan 0.000 0.455 152 E N 3.939 123.933 120.200 -0.343 0.000 2.200 152 E HA 0.266 4.616 4.350 -0.000 0.000 0.283 152 E C -1.490 174.796 176.600 -0.525 0.000 1.015 152 E CA -0.384 55.783 56.400 -0.387 0.000 0.819 152 E CB 0.706 30.132 29.700 -0.457 0.000 1.081 152 E HN 0.358 nan 8.360 nan 0.000 0.397 153 F N 3.359 123.296 119.950 -0.021 0.000 2.518 153 F HA 0.279 4.806 4.527 -0.000 0.000 0.323 153 F C 0.222 176.032 175.800 0.017 0.000 1.129 153 F CA -0.963 56.985 58.000 -0.088 0.000 0.920 153 F CB 1.512 40.317 39.000 -0.325 0.000 1.160 153 F HN 0.498 nan 8.300 nan 0.000 0.440 154 N N 2.439 121.211 118.700 0.120 0.000 2.725 154 N HA -0.204 4.536 4.740 -0.000 0.000 0.251 154 N C 0.958 176.496 175.510 0.047 0.000 1.031 154 N CA 1.155 54.251 53.050 0.076 0.000 0.720 154 N CB -0.985 37.558 38.487 0.094 0.000 0.930 154 N HN 1.196 nan 8.380 nan 0.000 0.543 155 G N -0.675 108.114 108.800 -0.019 0.000 2.153 155 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.252 155 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.252 155 G C -0.233 174.608 174.900 -0.099 0.000 0.994 155 G CA 0.874 45.937 45.100 -0.062 0.000 0.698 155 G HN 0.726 nan 8.290 nan 0.000 0.521 156 Q N -0.559 119.177 119.800 -0.108 0.000 2.379 156 Q HA 0.471 4.811 4.340 -0.000 0.000 0.278 156 Q C -0.964 174.801 176.000 -0.392 0.000 1.068 156 Q CA -0.917 54.756 55.803 -0.215 0.000 0.816 156 Q CB 1.360 30.014 28.738 -0.140 0.000 1.387 156 Q HN 0.431 nan 8.270 nan 0.000 0.413 157 H N 2.598 121.348 119.070 -0.533 0.000 2.527 157 H HA 0.387 4.942 4.556 -0.000 0.000 0.321 157 H C -0.965 173.849 175.328 -0.857 0.000 1.087 157 H CA 0.303 55.950 56.048 -0.668 0.000 1.337 157 H CB 0.495 29.544 29.762 -1.188 0.000 1.440 157 H HN 0.402 nan 8.280 nan 0.000 0.490 158 F N 1.887 121.803 119.950 -0.058 0.000 2.603 158 F HA 0.406 4.933 4.527 -0.000 0.000 0.317 158 F C 0.425 176.386 175.800 0.270 0.000 1.066 158 F CA -1.085 56.993 58.000 0.130 0.000 0.941 158 F CB 1.645 40.792 39.000 0.245 0.000 1.291 158 F HN 0.349 nan 8.300 nan 0.000 0.472 159 I N 0.576 121.435 120.570 0.481 0.000 2.603 159 I HA 0.669 4.839 4.170 -0.000 0.000 0.300 159 I C -1.471 174.754 176.117 0.180 0.000 1.017 159 I CA -1.209 60.299 61.300 0.347 0.000 1.098 159 I CB 1.982 40.112 38.000 0.216 0.000 1.279 159 I HN 0.424 nan 8.210 nan 0.000 0.437 160 L N 4.570 125.768 121.223 -0.042 0.000 2.290 160 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 160 L C -0.357 176.264 176.870 -0.416 0.000 1.078 160 L CA 0.593 55.131 54.840 -0.502 0.000 0.815 160 L CB 0.341 42.108 42.059 -0.486 0.000 1.162 160 L HN 0.599 nan 8.230 nan 0.000 0.435 161 E N 4.486 124.282 120.200 -0.675 0.000 2.222 161 E HA 0.379 4.729 4.350 -0.000 0.000 0.267 161 E C -0.965 175.277 176.600 -0.597 0.000 0.884 161 E CA -0.549 55.474 56.400 -0.628 0.000 0.764 161 E CB 1.872 31.108 29.700 -0.774 0.000 1.169 161 E HN 0.594 nan 8.360 nan 0.000 0.413 162 E N 0.663 120.695 120.200 -0.280 0.000 2.248 162 E HA 0.521 4.871 4.350 -0.000 0.000 0.272 162 E C -0.429 176.165 176.600 -0.011 0.000 1.008 162 E CA -0.825 55.496 56.400 -0.131 0.000 0.856 162 E CB 1.697 31.348 29.700 -0.083 0.000 1.120 162 E HN 0.525 nan 8.360 nan 0.000 0.397 163 A N 2.650 125.503 122.820 0.055 0.000 2.520 163 A HA 0.165 4.485 4.320 -0.000 0.000 0.235 163 A C -0.072 177.549 177.584 0.061 0.000 1.065 163 A CA 0.262 52.359 52.037 0.099 0.000 0.764 163 A CB 0.013 19.062 19.000 0.082 0.000 1.002 163 A HN 0.535 nan 8.150 nan 0.000 0.502 164 I N 1.666 122.278 120.570 0.070 0.000 2.362 164 I HA 0.442 4.611 4.170 -0.000 0.000 0.289 164 I C 0.418 176.563 176.117 0.048 0.000 0.994 164 I CA -0.144 61.187 61.300 0.052 0.000 1.158 164 I CB 1.428 39.461 38.000 0.056 0.000 1.315 164 I HN 0.755 nan 8.210 nan 0.000 0.451 165 R N 3.742 124.265 120.500 0.040 0.000 2.686 165 R HA 0.695 5.035 4.340 -0.000 0.000 0.283 165 R C -0.554 175.769 176.300 0.038 0.000 0.978 165 R CA -0.583 55.539 56.100 0.037 0.000 0.897 165 R CB 2.193 32.513 30.300 0.033 0.000 1.192 165 R HN 0.763 nan 8.270 nan 0.000 0.457 166 G N 0.749 109.573 108.800 0.040 0.000 2.441 166 G HA2 0.147 4.107 3.960 -0.000 0.000 0.334 166 G HA3 0.147 4.107 3.960 -0.000 0.000 0.334 166 G C -0.119 174.805 174.900 0.040 0.000 1.161 166 G CA -0.497 44.636 45.100 0.054 0.000 0.935 166 G HN 0.685 nan 8.290 nan 0.000 0.488 167 D N -0.315 120.132 120.400 0.078 0.000 2.149 167 D HA 0.013 4.653 4.640 -0.000 0.000 0.201 167 D C -0.056 176.173 176.300 -0.119 0.000 0.972 167 D CA 1.335 55.361 54.000 0.044 0.000 0.835 167 D CB 0.156 41.084 40.800 0.212 0.000 0.966 167 D HN 0.204 nan 8.370 nan 0.000 0.476 168 F N -0.555 119.414 119.950 0.031 0.000 2.599 168 F HA 0.562 5.089 4.527 -0.000 0.000 0.311 168 F C -0.412 175.401 175.800 0.021 0.000 1.076 168 F CA -1.248 56.770 58.000 0.029 0.000 0.937 168 F CB 2.001 41.010 39.000 0.015 0.000 1.282 168 F HN -0.297 nan 8.300 nan 0.000 0.460 169 A N 3.034 125.967 122.820 0.188 0.000 2.343 169 A HA 0.820 5.140 4.320 -0.000 0.000 0.308 169 A C -1.538 176.116 177.584 0.116 0.000 1.092 169 A CA -0.591 51.516 52.037 0.117 0.000 0.751 169 A CB 0.827 19.861 19.000 0.058 0.000 1.203 169 A HN 0.730 nan 8.150 nan 0.000 0.452 170 L N 3.263 124.541 121.223 0.091 0.000 2.280 170 L HA 0.582 4.921 4.340 -0.000 0.000 0.287 170 L C -0.856 176.060 176.870 0.077 0.000 1.023 170 L CA -0.732 54.149 54.840 0.069 0.000 0.819 170 L CB 1.308 43.390 42.059 0.037 0.000 1.212 170 L HN 0.415 nan 8.230 nan 0.000 0.420 171 V N 2.854 122.822 119.914 0.090 0.000 2.656 171 V HA 0.437 4.557 4.120 -0.000 0.000 0.307 171 V C -0.285 175.901 176.094 0.153 0.000 1.051 171 V CA -0.833 61.546 62.300 0.132 0.000 0.893 171 V CB 2.369 34.276 31.823 0.141 0.000 0.999 171 V HN 0.588 nan 8.190 nan 0.000 0.426 172 K N 3.393 123.912 120.400 0.200 0.000 2.206 172 K HA 0.882 5.201 4.320 -0.000 0.000 0.264 172 K C -0.640 176.120 176.600 0.267 0.000 0.967 172 K CA 0.005 56.417 56.287 0.208 0.000 0.844 172 K CB 1.634 34.253 32.500 0.198 0.000 1.099 172 K HN 0.958 nan 8.250 nan 0.000 0.441 173 A N 3.231 126.131 122.820 0.133 0.000 2.566 173 A HA 0.469 4.789 4.320 -0.000 0.000 0.292 173 A C -0.632 176.975 177.584 0.038 0.000 1.112 173 A CA -0.807 51.207 52.037 -0.039 0.000 0.707 173 A CB 0.255 18.995 19.000 -0.434 0.000 1.302 173 A HN 0.910 nan 8.150 nan 0.000 0.409 174 W N 1.087 122.271 121.300 -0.194 0.000 2.463 174 W HA 0.250 4.910 4.660 -0.000 0.000 0.316 174 W C 0.140 176.608 176.519 -0.085 0.000 1.170 174 W CA 1.314 58.585 57.345 -0.123 0.000 1.355 174 W CB 0.007 29.424 29.460 -0.070 0.000 1.159 174 W HN 0.544 nan 8.180 nan 0.000 0.487 175 K N -0.330 119.972 120.400 -0.163 0.000 2.385 175 K HA 0.634 4.954 4.320 -0.000 0.000 0.248 175 K C -1.234 175.375 176.600 0.014 0.000 0.955 175 K CA -0.740 55.430 56.287 -0.196 0.000 0.816 175 K CB 2.216 34.493 32.500 -0.372 0.000 1.250 175 K HN -0.118 nan 8.250 nan 0.000 0.434 176 A N 1.707 124.581 122.820 0.090 0.000 2.414 176 A HA 0.463 4.783 4.320 -0.000 0.000 0.306 176 A C -1.194 176.489 177.584 0.165 0.000 1.054 176 A CA -0.820 51.325 52.037 0.180 0.000 0.724 176 A CB 1.048 20.112 19.000 0.107 0.000 1.267 176 A HN 0.811 nan 8.150 nan 0.000 0.418 177 D N 0.371 120.903 120.400 0.220 0.000 2.451 177 D HA 0.139 4.779 4.640 -0.000 0.000 0.259 177 D C 0.606 176.996 176.300 0.150 0.000 1.201 177 D CA -0.356 53.648 54.000 0.007 0.000 1.028 177 D CB 0.538 41.270 40.800 -0.113 0.000 1.095 177 D HN 0.424 nan 8.370 nan 0.000 0.539 178 Q N -0.953 118.871 119.800 0.041 0.000 2.488 178 Q HA 0.010 4.350 4.340 -0.000 0.000 0.211 178 Q C 1.419 177.518 176.000 0.164 0.000 0.967 178 Q CA 0.610 56.413 55.803 -0.000 0.000 0.926 178 Q CB -0.010 28.619 28.738 -0.182 0.000 0.992 178 Q HN 0.652 nan 8.270 nan 0.000 0.506 179 A N -0.895 122.036 122.820 0.185 0.000 2.072 179 A HA 0.215 4.534 4.320 -0.000 0.000 0.216 179 A C 1.499 179.228 177.584 0.242 0.000 1.156 179 A CA 1.176 53.327 52.037 0.190 0.000 0.701 179 A CB 0.114 19.180 19.000 0.109 0.000 0.816 179 A HN 0.448 nan 8.150 nan 0.000 0.458 180 G N -1.145 107.816 108.800 0.268 0.000 2.192 180 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.193 180 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.193 180 G C -0.106 174.846 174.900 0.088 0.000 0.999 180 G CA -0.056 45.111 45.100 0.113 0.000 0.659 180 G HN 0.409 nan 8.290 nan 0.000 0.503 181 N N 0.140 118.924 118.700 0.140 0.000 2.479 181 N HA 0.472 5.211 4.740 -0.000 0.000 0.257 181 N C -0.089 175.462 175.510 0.068 0.000 1.232 181 N CA 0.477 53.591 53.050 0.107 0.000 0.920 181 N CB 1.900 40.485 38.487 0.164 0.000 1.105 181 N HN 0.197 nan 8.380 nan 0.000 0.444 182 V N 0.122 119.961 119.914 -0.126 0.000 2.925 182 V HA 0.558 4.678 4.120 -0.000 0.000 0.311 182 V C 0.083 175.839 176.094 -0.563 0.000 1.104 182 V CA -0.705 61.424 62.300 -0.286 0.000 0.954 182 V CB 2.210 33.883 31.823 -0.249 0.000 1.022 182 V HN 0.925 nan 8.190 nan 0.000 0.427 183 T N 0.037 114.186 114.554 -0.674 0.000 2.901 183 T HA 0.851 5.201 4.350 -0.000 0.000 0.293 183 T C -1.180 173.277 174.700 -0.404 0.000 1.084 183 T CA -0.581 61.170 62.100 -0.583 0.000 1.008 183 T CB 1.956 70.376 68.868 -0.746 0.000 1.170 183 T HN 0.200 nan 8.240 nan 0.000 0.509 184 F N -0.280 119.940 119.950 0.450 0.000 2.577 184 F HA 0.720 5.247 4.527 -0.000 0.000 0.318 184 F C 0.374 176.319 175.800 0.242 0.000 1.065 184 F CA -1.236 56.940 58.000 0.293 0.000 0.929 184 F CB 2.214 41.287 39.000 0.122 0.000 1.237 184 F HN 0.590 nan 8.300 nan 0.000 0.468 185 R N 2.532 123.129 120.500 0.162 0.000 2.343 185 R HA 0.453 4.792 4.340 -0.000 0.000 0.320 185 R C -0.184 175.860 176.300 -0.425 0.000 0.956 185 R CA -0.257 55.669 56.100 -0.291 0.000 0.836 185 R CB 0.601 30.374 30.300 -0.879 0.000 1.151 185 R HN 0.800 nan 8.270 nan 0.000 0.450 186 K N 0.720 120.711 120.400 -0.682 0.000 1.844 186 K HA -0.285 4.035 4.320 -0.000 0.000 0.160 186 K C 0.621 176.552 176.600 -1.114 0.000 1.448 186 K CA 1.724 57.117 56.287 -1.490 0.000 0.446 186 K CB -1.479 30.437 32.500 -0.974 0.000 0.635 186 K HN 0.743 nan 8.250 nan 0.000 0.848 187 S N 0.488 115.756 115.700 -0.721 0.000 2.650 187 S HA 0.220 4.689 4.470 -0.000 0.000 0.219 187 S C 1.477 175.952 174.600 -0.209 0.000 0.960 187 S CA 0.599 58.598 58.200 -0.335 0.000 0.925 187 S CB 0.381 63.475 63.200 -0.176 0.000 0.775 187 S HN 0.606 nan 8.310 nan 0.000 0.525 188 A N 1.548 124.256 122.820 -0.187 0.000 2.239 188 A HA 0.161 4.481 4.320 -0.000 0.000 0.209 188 A C 2.150 179.726 177.584 -0.013 0.000 1.171 188 A CA 0.522 52.530 52.037 -0.049 0.000 0.768 188 A CB -0.535 18.448 19.000 -0.029 0.000 0.790 188 A HN 0.583 nan 8.150 nan 0.000 0.478 189 R N 0.632 121.045 120.500 -0.144 0.000 2.055 189 R HA -0.171 4.169 4.340 -0.000 0.000 0.228 189 R C 1.708 177.801 176.300 -0.345 0.000 1.143 189 R CA 1.650 57.516 56.100 -0.390 0.000 0.945 189 R CB -0.444 29.575 30.300 -0.468 0.000 0.841 189 R HN 0.703 nan 8.270 nan 0.000 0.429 190 N N -0.610 117.940 118.700 -0.250 0.000 1.109 190 N HA -0.355 4.385 4.740 -0.000 0.000 0.142 190 N C 0.905 176.294 175.510 -0.201 0.000 0.434 190 N CA 2.620 55.568 53.050 -0.170 0.000 0.976 190 N CB -1.476 37.053 38.487 0.069 0.000 1.494 190 N HN 0.227 nan 8.380 nan 0.000 0.474 191 F N 0.194 120.113 119.950 -0.052 0.000 2.743 191 F HA 0.264 4.791 4.527 -0.000 0.000 0.297 191 F C 2.086 177.836 175.800 -0.084 0.000 1.131 191 F CA 0.055 58.032 58.000 -0.038 0.000 1.426 191 F CB -0.236 38.782 39.000 0.029 0.000 1.116 191 F HN 0.267 nan 8.300 nan 0.000 0.583 192 N N 0.550 119.258 118.700 0.014 0.000 2.166 192 N HA -0.183 4.556 4.740 -0.000 0.000 0.186 192 N C 2.064 177.509 175.510 -0.107 0.000 1.019 192 N CA 1.082 54.131 53.050 -0.002 0.000 0.856 192 N CB -0.320 38.210 38.487 0.071 0.000 0.993 192 N HN 0.350 nan 8.380 nan 0.000 0.426 193 L N 1.987 122.982 121.223 -0.380 0.000 1.973 193 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 193 L C -0.767 175.994 176.870 -0.183 0.000 1.073 193 L CA 1.466 56.116 54.840 -0.317 0.000 0.746 193 L CB -1.198 40.588 42.059 -0.455 0.000 0.891 193 L HN 0.064 nan 8.230 nan 0.000 0.433 194 P HA -0.213 nan 4.420 nan 0.000 0.215 194 P C 1.840 179.087 177.300 -0.088 0.000 1.153 194 P CA 1.867 64.881 63.100 -0.144 0.000 0.853 194 P CB -0.171 31.455 31.700 -0.124 0.000 0.788 195 M N -1.097 118.497 119.600 -0.010 0.000 2.267 195 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 195 M C 2.357 178.649 176.300 -0.012 0.000 1.063 195 M CA 1.282 56.598 55.300 0.026 0.000 1.090 195 M CB -1.021 31.629 32.600 0.084 0.000 1.392 195 M HN 0.024 nan 8.290 nan 0.000 0.422 196 C N 0.745 120.021 119.300 -0.040 0.000 2.437 196 C HA -0.099 4.361 4.460 -0.000 0.000 0.283 196 C C 2.243 177.148 174.990 -0.141 0.000 1.424 196 C CA 1.051 60.035 59.018 -0.056 0.000 1.782 196 C CB -0.868 26.870 27.740 -0.002 0.000 1.833 196 C HN 0.450 nan 8.230 nan 0.000 0.532 197 K N -0.323 119.945 120.400 -0.219 0.000 2.360 197 K HA 0.234 4.554 4.320 -0.000 0.000 0.196 197 K C 1.193 177.767 176.600 -0.044 0.000 1.049 197 K CA 0.630 56.768 56.287 -0.249 0.000 1.049 197 K CB 0.244 32.432 32.500 -0.521 0.000 0.881 197 K HN 0.279 nan 8.250 nan 0.000 0.542 198 A N 1.179 123.980 122.820 -0.032 0.000 2.545 198 A HA 0.562 4.882 4.320 -0.000 0.000 0.277 198 A C 0.076 177.675 177.584 0.024 0.000 1.301 198 A CA -0.269 51.773 52.037 0.008 0.000 0.935 198 A CB 0.230 19.236 19.000 0.009 0.000 1.093 198 A HN 0.173 nan 8.150 nan 0.000 0.519 199 A N -0.876 121.959 122.820 0.024 0.000 2.454 199 A HA 0.646 4.966 4.320 -0.000 0.000 0.302 199 A C 0.561 178.162 177.584 0.028 0.000 1.079 199 A CA -0.068 51.979 52.037 0.016 0.000 0.731 199 A CB 0.958 19.965 19.000 0.010 0.000 1.299 199 A HN 0.109 nan 8.150 nan 0.000 0.413 200 E N 0.688 120.869 120.200 -0.033 0.000 2.051 200 E HA -0.052 4.297 4.350 -0.000 0.000 0.192 200 E C 0.316 176.899 176.600 -0.030 0.000 0.991 200 E CA 2.280 58.648 56.400 -0.053 0.000 0.799 200 E CB 0.051 29.668 29.700 -0.138 0.000 0.748 200 E HN 0.607 nan 8.360 nan 0.000 0.449 201 T N 0.644 115.069 114.554 -0.214 0.000 2.809 201 T HA 0.423 4.772 4.350 -0.000 0.000 0.284 201 T C -0.818 173.871 174.700 -0.018 0.000 0.992 201 T CA -0.378 61.676 62.100 -0.078 0.000 0.957 201 T CB 1.457 70.005 68.868 -0.533 0.000 0.942 201 T HN 0.188 nan 8.240 nan 0.000 0.439 202 T N 0.234 114.802 114.554 0.023 0.000 2.771 202 T HA 0.679 5.028 4.350 -0.000 0.000 0.281 202 T C -0.360 174.344 174.700 0.006 0.000 0.982 202 T CA -0.723 61.336 62.100 -0.069 0.000 0.978 202 T CB 0.829 69.548 68.868 -0.248 0.000 0.930 202 T HN 0.292 nan 8.240 nan 0.000 0.447 203 V N 4.096 124.043 119.914 0.055 0.000 2.378 203 V HA 0.525 4.644 4.120 -0.000 0.000 0.288 203 V C -0.205 175.907 176.094 0.029 0.000 1.016 203 V CA -0.820 61.502 62.300 0.036 0.000 0.840 203 V CB 1.474 33.322 31.823 0.041 0.000 0.994 203 V HN 0.893 nan 8.190 nan 0.000 0.431 204 V N 5.126 125.048 119.914 0.014 0.000 2.459 204 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 204 V C -0.021 176.100 176.094 0.045 0.000 1.029 204 V CA -0.650 61.671 62.300 0.035 0.000 0.874 204 V CB 1.884 33.715 31.823 0.013 0.000 0.985 204 V HN 1.054 nan 8.190 nan 0.000 0.438 205 E N 4.425 124.678 120.200 0.087 0.000 2.179 205 E HA 0.766 5.116 4.350 -0.000 0.000 0.275 205 E C -0.947 175.753 176.600 0.167 0.000 0.945 205 E CA -0.765 55.716 56.400 0.136 0.000 0.792 205 E CB 2.306 32.106 29.700 0.166 0.000 1.125 205 E HN 0.507 nan 8.360 nan 0.000 0.397 206 V N -0.085 119.939 119.914 0.183 0.000 2.962 206 V HA 0.354 4.473 4.120 -0.000 0.000 0.313 206 V C 0.471 176.670 176.094 0.176 0.000 1.099 206 V CA -0.791 61.586 62.300 0.128 0.000 0.971 206 V CB 1.741 33.602 31.823 0.064 0.000 1.028 206 V HN 0.881 nan 8.190 nan 0.000 0.430 207 E N 0.868 121.085 120.200 0.028 0.000 2.158 207 E HA 0.099 4.449 4.350 -0.000 0.000 0.191 207 E C 0.417 177.078 176.600 0.101 0.000 0.982 207 E CA 1.017 57.418 56.400 0.002 0.000 0.823 207 E CB 0.503 30.139 29.700 -0.108 0.000 0.766 207 E HN 0.831 nan 8.360 nan 0.000 0.468 208 E N 0.290 120.511 120.200 0.034 0.000 2.343 208 E HA 0.356 4.706 4.350 -0.000 0.000 0.278 208 E C -1.504 175.083 176.600 -0.022 0.000 0.910 208 E CA -0.426 55.970 56.400 -0.006 0.000 0.757 208 E CB 1.660 31.310 29.700 -0.082 0.000 1.218 208 E HN -0.070 nan 8.360 nan 0.000 0.435 209 I N 4.817 125.384 120.570 -0.005 0.000 2.355 209 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 209 I C 0.181 176.249 176.117 -0.081 0.000 0.999 209 I CA -0.864 60.435 61.300 -0.001 0.000 1.163 209 I CB 1.337 39.377 38.000 0.066 0.000 1.316 209 I HN 0.336 nan 8.210 nan 0.000 0.454 210 V N 2.376 122.195 119.914 -0.157 0.000 3.193 210 V HA 0.567 4.687 4.120 -0.000 0.000 0.320 210 V C -0.124 175.830 176.094 -0.233 0.000 1.112 210 V CA -0.773 61.384 62.300 -0.239 0.000 1.026 210 V CB 1.750 33.333 31.823 -0.400 0.000 1.128 210 V HN 0.449 nan 8.190 nan 0.000 0.452 211 D N 0.583 120.844 120.400 -0.233 0.000 2.313 211 D HA 0.420 5.060 4.640 -0.000 0.000 0.247 211 D C 0.202 176.370 176.300 -0.221 0.000 1.094 211 D CA 0.028 53.915 54.000 -0.189 0.000 0.925 211 D CB 1.473 42.185 40.800 -0.147 0.000 1.188 211 D HN 0.571 nan 8.370 nan 0.000 0.430 212 I N 0.908 121.389 120.570 -0.148 0.000 2.683 212 I HA 0.071 4.241 4.170 -0.000 0.000 0.286 212 I C 1.653 177.700 176.117 -0.117 0.000 1.175 212 I CA 0.855 62.087 61.300 -0.114 0.000 1.429 212 I CB 0.362 38.329 38.000 -0.056 0.000 1.371 212 I HN 0.716 nan 8.210 nan 0.000 0.569 213 G N 3.416 112.150 108.800 -0.110 0.000 2.232 213 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.226 213 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.226 213 G C 1.003 175.826 174.900 -0.129 0.000 0.996 213 G CA 0.346 45.394 45.100 -0.086 0.000 0.626 213 G HN 0.559 nan 8.290 nan 0.000 0.509 214 S N 0.078 115.618 115.700 -0.267 0.000 2.382 214 S HA 0.214 4.684 4.470 -0.000 0.000 0.228 214 S C 0.798 175.241 174.600 -0.262 0.000 1.027 214 S CA 0.826 58.822 58.200 -0.340 0.000 0.991 214 S CB -0.141 62.722 63.200 -0.561 0.000 0.823 214 S HN 0.383 nan 8.310 nan 0.000 0.469 215 F N 1.698 121.600 119.950 -0.081 0.000 2.396 215 F HA 0.574 5.100 4.527 -0.000 0.000 0.343 215 F C 0.695 176.466 175.800 -0.049 0.000 1.104 215 F CA -2.091 55.860 58.000 -0.082 0.000 1.161 215 F CB 0.094 39.033 39.000 -0.102 0.000 1.146 215 F HN -0.037 nan 8.300 nan 0.000 0.522 216 A N 5.645 128.566 122.820 0.167 0.000 2.488 216 A HA 0.284 4.603 4.320 -0.000 0.000 0.249 216 A C -1.359 176.278 177.584 0.089 0.000 1.083 216 A CA -1.044 51.050 52.037 0.095 0.000 0.768 216 A CB -0.242 18.801 19.000 0.072 0.000 1.017 216 A HN 0.592 nan 8.150 nan 0.000 0.496 217 P HA -0.163 nan 4.420 nan 0.000 0.219 217 P C 0.626 177.949 177.300 0.040 0.000 1.146 217 P CA 1.295 64.430 63.100 0.057 0.000 0.808 217 P CB 0.268 31.995 31.700 0.045 0.000 0.779 218 E N -0.063 120.160 120.200 0.039 0.000 2.204 218 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 218 E C 0.945 177.571 176.600 0.044 0.000 0.989 218 E CA 0.931 57.355 56.400 0.039 0.000 0.824 218 E CB -0.484 29.240 29.700 0.039 0.000 0.756 218 E HN 0.307 nan 8.360 nan 0.000 0.477 219 D N -0.168 120.247 120.400 0.025 0.000 2.427 219 D HA 0.119 4.759 4.640 -0.000 0.000 0.224 219 D C -0.206 175.970 176.300 -0.207 0.000 1.157 219 D CA -0.011 53.988 54.000 -0.001 0.000 0.828 219 D CB 0.240 41.053 40.800 0.022 0.000 0.974 219 D HN 0.179 nan 8.370 nan 0.000 0.498 220 I N 0.984 121.455 120.570 -0.164 0.000 2.379 220 I HA 0.051 4.221 4.170 -0.000 0.000 0.290 220 I C 1.425 177.490 176.117 -0.086 0.000 1.063 220 I CA -0.181 60.945 61.300 -0.290 0.000 1.351 220 I CB 0.725 38.645 38.000 -0.133 0.000 1.410 220 I HN -0.018 nan 8.210 nan 0.000 0.505 221 H N 5.963 124.999 119.070 -0.058 0.000 2.372 221 H HA 0.188 4.744 4.556 -0.000 0.000 0.301 221 H C 0.103 175.524 175.328 0.154 0.000 1.065 221 H CA 0.433 56.542 56.048 0.102 0.000 1.364 221 H CB 0.539 30.476 29.762 0.292 0.000 1.406 221 H HN 0.331 nan 8.280 nan 0.000 0.521 222 I N 2.027 122.743 120.570 0.244 0.000 2.411 222 I HA 0.232 4.402 4.170 -0.000 0.000 0.284 222 I C -2.526 173.694 176.117 0.171 0.000 1.012 222 I CA -2.730 58.714 61.300 0.241 0.000 1.119 222 I CB 1.652 39.813 38.000 0.268 0.000 1.261 222 I HN -0.155 nan 8.210 nan 0.000 0.448 223 P HA 0.102 nan 4.420 nan 0.000 0.269 223 P C 0.801 178.157 177.300 0.093 0.000 1.215 223 P CA -0.313 62.856 63.100 0.115 0.000 0.780 223 P CB 0.576 32.320 31.700 0.073 0.000 0.898 224 K N 2.784 123.212 120.400 0.048 0.000 2.218 224 K HA -0.183 4.136 4.320 -0.000 0.000 0.205 224 K C 1.709 178.316 176.600 0.010 0.000 1.046 224 K CA 1.538 57.850 56.287 0.041 0.000 0.933 224 K CB -0.952 31.579 32.500 0.052 0.000 0.728 224 K HN 0.334 nan 8.250 nan 0.000 0.454 225 I N 0.655 121.176 120.570 -0.082 0.000 2.315 225 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 225 I C 1.408 177.443 176.117 -0.137 0.000 1.125 225 I CA 1.407 62.609 61.300 -0.163 0.000 1.392 225 I CB 0.022 37.821 38.000 -0.337 0.000 1.065 225 I HN 0.124 nan 8.210 nan 0.000 0.424 226 Y N -0.128 120.186 120.300 0.023 0.000 2.475 226 Y HA 0.140 4.690 4.550 -0.000 0.000 0.289 226 Y C 0.921 176.685 175.900 -0.227 0.000 1.121 226 Y CA 0.004 58.064 58.100 -0.066 0.000 1.257 226 Y CB -0.316 38.121 38.460 -0.038 0.000 1.026 226 Y HN -0.170 nan 8.280 nan 0.000 0.555 227 V N 1.267 121.200 119.914 0.032 0.000 2.353 227 V HA 0.066 4.186 4.120 -0.000 0.000 0.264 227 V C 0.326 176.442 176.094 0.035 0.000 1.049 227 V CA -0.164 62.115 62.300 -0.034 0.000 0.896 227 V CB 0.282 32.099 31.823 -0.009 0.000 1.025 227 V HN 0.457 nan 8.190 nan 0.000 0.475 228 H N 3.412 122.496 119.070 0.022 0.000 2.418 228 H HA 0.293 4.848 4.556 -0.000 0.000 0.300 228 H C 0.656 176.003 175.328 0.032 0.000 1.041 228 H CA 0.147 56.206 56.048 0.018 0.000 1.364 228 H CB 0.532 30.304 29.762 0.017 0.000 1.439 228 H HN 0.415 nan 8.280 nan 0.000 0.540 229 R N 1.004 121.586 120.500 0.137 0.000 2.575 229 R HA 0.420 4.759 4.340 -0.000 0.000 0.293 229 R C -1.884 174.418 176.300 0.004 0.000 0.983 229 R CA -0.896 55.280 56.100 0.126 0.000 0.887 229 R CB 2.754 33.092 30.300 0.064 0.000 1.184 229 R HN -0.034 nan 8.270 nan 0.000 0.445 230 L N 2.829 124.032 121.223 -0.033 0.000 2.385 230 L HA 0.623 4.963 4.340 -0.000 0.000 0.273 230 L C -1.391 175.513 176.870 0.057 0.000 0.990 230 L CA -0.801 53.969 54.840 -0.116 0.000 0.821 230 L CB 2.142 43.926 42.059 -0.458 0.000 1.279 230 L HN 0.443 nan 8.230 nan 0.000 0.412 231 V N 4.937 124.903 119.914 0.085 0.000 2.789 231 V HA 0.519 4.639 4.120 -0.000 0.000 0.311 231 V C -0.792 175.394 176.094 0.154 0.000 1.073 231 V CA -0.821 61.569 62.300 0.150 0.000 0.921 231 V CB 2.100 33.983 31.823 0.099 0.000 1.009 231 V HN 0.869 nan 8.190 nan 0.000 0.426 232 K N 4.557 125.063 120.400 0.176 0.000 2.276 232 K HA 0.564 4.884 4.320 -0.000 0.000 0.285 232 K C 0.311 177.009 176.600 0.164 0.000 1.062 232 K CA 0.037 56.432 56.287 0.180 0.000 0.918 232 K CB 0.830 33.427 32.500 0.162 0.000 1.055 232 K HN 0.971 nan 8.250 nan 0.000 0.477 233 G N 2.892 111.835 108.800 0.238 0.000 2.365 233 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.249 233 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.249 233 G C 0.415 175.289 174.900 -0.043 0.000 1.288 233 G CA -0.291 44.838 45.100 0.049 0.000 0.887 233 G HN 0.948 nan 8.290 nan 0.000 0.524 234 E N 1.453 121.578 120.200 -0.125 0.000 2.046 234 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 234 E C 0.875 177.408 176.600 -0.111 0.000 0.982 234 E CA 0.752 57.110 56.400 -0.069 0.000 0.800 234 E CB 0.105 29.776 29.700 -0.048 0.000 0.756 234 E HN 0.445 nan 8.360 nan 0.000 0.449 235 K N -0.313 119.928 120.400 -0.266 0.000 2.397 235 K HA 0.229 4.549 4.320 -0.000 0.000 0.253 235 K C -2.002 174.357 176.600 -0.402 0.000 0.932 235 K CA -0.566 55.604 56.287 -0.195 0.000 0.795 235 K CB 1.105 33.553 32.500 -0.087 0.000 1.159 235 K HN -0.089 nan 8.250 nan 0.000 0.424 236 Y N 2.329 122.683 120.300 0.091 0.000 2.363 236 Y HA 0.198 4.748 4.550 -0.000 0.000 0.325 236 Y C 0.312 176.266 175.900 0.091 0.000 0.984 236 Y CA -0.658 57.505 58.100 0.105 0.000 1.248 236 Y CB 2.016 40.536 38.460 0.099 0.000 1.116 236 Y HN 0.694 nan 8.280 nan 0.000 0.470 237 E N 2.178 122.520 120.200 0.237 0.000 2.481 237 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 237 E C 0.146 176.797 176.600 0.085 0.000 1.047 237 E CA 0.073 56.543 56.400 0.117 0.000 0.867 237 E CB 0.188 29.912 29.700 0.039 0.000 0.858 237 E HN 0.435 nan 8.360 nan 0.000 0.513 238 K N 1.396 121.883 120.400 0.145 0.000 3.071 238 K HA -0.209 4.111 4.320 -0.000 0.000 0.262 238 K C -0.502 176.123 176.600 0.042 0.000 0.977 238 K CA 0.614 56.955 56.287 0.089 0.000 0.721 238 K CB -1.487 31.048 32.500 0.058 0.000 1.293 238 K HN 0.276 nan 8.250 nan 0.000 0.475 239 R N 0.219 120.743 120.500 0.041 0.000 2.491 239 R HA 0.308 4.648 4.340 -0.000 0.000 0.283 239 R C 0.757 177.065 176.300 0.013 0.000 1.072 239 R CA -0.021 56.055 56.100 -0.040 0.000 1.048 239 R CB 0.480 30.671 30.300 -0.181 0.000 0.983 239 R HN 0.164 nan 8.270 nan 0.000 0.450 240 I N 1.942 122.505 120.570 -0.012 0.000 2.389 240 I HA 0.064 4.234 4.170 -0.000 0.000 0.288 240 I C 1.378 177.496 176.117 0.002 0.000 0.999 240 I CA -0.207 61.097 61.300 0.007 0.000 1.129 240 I CB 1.957 39.956 38.000 -0.002 0.000 1.288 240 I HN 0.721 nan 8.210 nan 0.000 0.444 241 E N 5.982 126.197 120.200 0.025 0.000 2.028 241 E HA 0.040 4.390 4.350 -0.000 0.000 0.190 241 E C 0.426 177.031 176.600 0.009 0.000 0.984 241 E CA 0.946 57.360 56.400 0.023 0.000 0.800 241 E CB 0.478 30.203 29.700 0.042 0.000 0.758 241 E HN 0.462 nan 8.360 nan 0.000 0.448 242 R N 1.108 121.614 120.500 0.009 0.000 2.352 242 R HA 0.239 4.579 4.340 -0.000 0.000 0.304 242 R C -1.289 174.989 176.300 -0.037 0.000 1.104 242 R CA -0.630 55.462 56.100 -0.013 0.000 0.991 242 R CB 1.254 31.551 30.300 -0.005 0.000 1.140 242 R HN 0.096 nan 8.270 nan 0.000 0.540 243 L N 2.587 123.783 121.223 -0.045 0.000 2.407 243 L HA 0.169 4.508 4.340 -0.000 0.000 0.282 243 L C -0.615 176.190 176.870 -0.107 0.000 1.110 243 L CA 0.664 55.470 54.840 -0.057 0.000 0.863 243 L CB 0.878 42.912 42.059 -0.041 0.000 1.207 243 L HN 0.397 nan 8.230 nan 0.000 0.454 244 S N 4.239 119.843 115.700 -0.160 0.000 2.667 244 S HA 0.518 4.988 4.470 -0.000 0.000 0.304 244 S C -0.008 174.474 174.600 -0.196 0.000 1.135 244 S CA -0.642 57.370 58.200 -0.314 0.000 1.125 244 S CB 1.121 63.885 63.200 -0.726 0.000 0.996 244 S HN 0.362 nan 8.310 nan 0.000 0.474 268 K N 1.367 121.482 120.400 -0.475 0.000 2.432 268 K HA 0.018 4.337 4.320 -0.000 0.000 0.196 268 K C 1.925 178.394 176.600 -0.218 0.000 1.038 268 K CA 0.716 56.774 56.287 -0.383 0.000 0.986 268 K CB 0.192 32.547 32.500 -0.241 0.000 0.782 268 K HN 0.092 nan 8.250 nan 0.000 0.485 269 R N 1.242 121.616 120.500 -0.209 0.000 2.100 269 R HA 0.093 4.433 4.340 -0.000 0.000 0.220 269 R C 1.865 178.047 176.300 -0.197 0.000 1.091 269 R CA 1.355 57.362 56.100 -0.156 0.000 0.986 269 R CB -0.504 29.720 30.300 -0.127 0.000 0.888 269 R HN 0.088 nan 8.270 nan 0.000 0.444 270 A N 0.688 123.361 122.820 -0.245 0.000 1.902 270 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 270 A C 2.340 179.620 177.584 -0.505 0.000 1.181 270 A CA 1.707 53.563 52.037 -0.302 0.000 0.623 270 A CB -1.077 17.766 19.000 -0.260 0.000 0.818 270 A HN 0.460 nan 8.150 nan 0.000 0.443 271 A N -0.343 122.190 122.820 -0.478 0.000 2.076 271 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 271 A C 1.958 179.281 177.584 -0.434 0.000 1.160 271 A CA 1.340 53.035 52.037 -0.570 0.000 0.653 271 A CB -0.583 18.354 19.000 -0.105 0.000 0.801 271 A HN 0.501 nan 8.150 nan 0.000 0.455 272 L N -0.520 120.542 121.223 -0.267 0.000 2.465 272 L HA -0.058 4.282 4.340 -0.000 0.000 0.224 272 L C 1.930 178.710 176.870 -0.150 0.000 1.145 272 L CA 0.408 55.164 54.840 -0.141 0.000 0.834 272 L CB -0.352 41.655 42.059 -0.087 0.000 0.944 272 L HN 0.332 nan 8.230 nan 0.000 0.451 273 E N 0.175 120.208 120.200 -0.278 0.000 2.358 273 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 273 E C 0.250 176.814 176.600 -0.061 0.000 1.010 273 E CA 0.299 56.589 56.400 -0.183 0.000 0.856 273 E CB 0.058 29.628 29.700 -0.217 0.000 0.795 273 E HN 0.207 nan 8.360 nan 0.000 0.504 274 F N 2.022 121.964 119.950 -0.014 0.000 2.529 274 F HA 0.109 4.635 4.527 -0.000 0.000 0.365 274 F C 1.144 176.927 175.800 -0.028 0.000 1.102 274 F CA -0.187 57.799 58.000 -0.023 0.000 1.271 274 F CB 0.262 39.243 39.000 -0.031 0.000 1.120 274 F HN -0.223 nan 8.300 nan 0.000 0.579 275 E N 0.332 120.632 120.200 0.167 0.000 2.249 275 E HA 0.216 4.566 4.350 -0.000 0.000 0.263 275 E C -1.345 175.257 176.600 0.004 0.000 0.950 275 E CA -1.128 55.312 56.400 0.066 0.000 0.827 275 E CB 1.434 31.161 29.700 0.045 0.000 1.220 275 E HN 0.428 nan 8.360 nan 0.000 0.411 276 D N -0.566 119.822 120.400 -0.020 0.000 2.425 276 D HA 0.242 4.881 4.640 -0.000 0.000 0.247 276 D C 0.776 177.023 176.300 -0.089 0.000 1.147 276 D CA 1.617 55.577 54.000 -0.067 0.000 0.879 276 D CB 0.483 41.255 40.800 -0.046 0.000 1.179 276 D HN 0.603 nan 8.370 nan 0.000 0.456 277 G N 3.299 112.002 108.800 -0.162 0.000 2.162 277 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 277 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 277 G C 0.477 175.231 174.900 -0.244 0.000 0.976 277 G CA 0.396 45.398 45.100 -0.165 0.000 0.655 277 G HN 0.593 nan 8.290 nan 0.000 0.533 278 M N 0.412 119.879 119.600 -0.222 0.000 2.233 278 M HA 0.588 5.068 4.480 -0.000 0.000 0.350 278 M C -0.394 175.736 176.300 -0.283 0.000 1.176 278 M CA -0.422 54.784 55.300 -0.157 0.000 1.150 278 M CB 0.386 32.965 32.600 -0.034 0.000 1.530 278 M HN 0.101 nan 8.290 nan 0.000 0.459 279 Y N 3.459 123.793 120.300 0.058 0.000 2.385 279 Y HA 0.600 5.149 4.550 -0.000 0.000 0.341 279 Y C 0.075 175.994 175.900 0.031 0.000 0.965 279 Y CA -0.544 57.585 58.100 0.048 0.000 1.180 279 Y CB 1.032 39.514 38.460 0.037 0.000 1.139 279 Y HN 0.717 nan 8.280 nan 0.000 0.502 280 A N 3.752 126.644 122.820 0.119 0.000 2.386 280 A HA 0.547 4.866 4.320 -0.000 0.000 0.311 280 A C -0.991 176.643 177.584 0.084 0.000 1.068 280 A CA -0.880 51.219 52.037 0.102 0.000 0.743 280 A CB 1.252 20.304 19.000 0.087 0.000 1.258 280 A HN 0.674 nan 8.150 nan 0.000 0.429 281 N N 2.130 120.890 118.700 0.099 0.000 2.372 281 N HA 0.511 5.251 4.740 -0.000 0.000 0.291 281 N C -1.588 173.975 175.510 0.088 0.000 1.024 281 N CA -0.292 52.799 53.050 0.069 0.000 0.873 281 N CB 1.114 39.629 38.487 0.048 0.000 1.206 281 N HN 0.602 nan 8.380 nan 0.000 0.486 282 L N 2.613 123.879 121.223 0.072 0.000 2.280 282 L HA 0.462 4.801 4.340 -0.000 0.000 0.287 282 L C 1.314 178.223 176.870 0.066 0.000 1.023 282 L CA -0.886 54.005 54.840 0.084 0.000 0.819 282 L CB 1.490 43.604 42.059 0.091 0.000 1.212 282 L HN 0.525 nan 8.230 nan 0.000 0.420 283 G N 3.407 112.247 108.800 0.066 0.000 2.621 283 G HA2 0.459 4.419 3.960 -0.000 0.000 0.271 283 G HA3 0.459 4.419 3.960 -0.000 0.000 0.271 283 G C 0.035 174.965 174.900 0.050 0.000 1.236 283 G CA -0.721 44.413 45.100 0.057 0.000 0.958 283 G HN 0.455 nan 8.290 nan 0.000 0.512 284 I N 0.858 121.441 120.570 0.021 0.000 2.634 284 I HA 0.399 4.568 4.170 -0.000 0.000 0.284 284 I C 1.255 177.395 176.117 0.039 0.000 1.124 284 I CA 1.488 62.792 61.300 0.007 0.000 1.417 284 I CB 0.685 38.617 38.000 -0.113 0.000 1.396 284 I HN 0.957 nan 8.210 nan 0.000 0.571 285 G N 5.044 113.880 108.800 0.061 0.000 2.715 285 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.221 285 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.221 285 G C 0.488 175.430 174.900 0.070 0.000 1.204 285 G CA -0.055 45.086 45.100 0.068 0.000 1.063 285 G HN 0.492 nan 8.290 nan 0.000 0.586 286 I N 2.681 123.281 120.570 0.050 0.000 2.179 286 I HA -0.050 4.120 4.170 -0.000 0.000 0.242 286 I C -0.035 176.105 176.117 0.039 0.000 1.088 286 I CA 1.968 63.289 61.300 0.035 0.000 1.357 286 I CB -0.925 37.078 38.000 0.005 0.000 1.051 286 I HN 0.306 nan 8.210 nan 0.000 0.409 287 P HA -0.182 nan 4.420 nan 0.000 0.217 287 P C 1.887 179.237 177.300 0.083 0.000 1.148 287 P CA 1.414 64.545 63.100 0.052 0.000 0.828 287 P CB -0.075 31.661 31.700 0.060 0.000 0.783 288 L N -1.979 119.303 121.223 0.097 0.000 2.129 288 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 288 L C 2.112 179.048 176.870 0.110 0.000 1.087 288 L CA 1.178 56.090 54.840 0.120 0.000 0.757 288 L CB -1.003 41.156 42.059 0.167 0.000 0.896 288 L HN -0.005 nan 8.230 nan 0.000 0.434 289 L N -0.231 121.074 121.223 0.138 0.000 2.275 289 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 289 L C 2.588 179.573 176.870 0.191 0.000 1.119 289 L CA 1.438 56.373 54.840 0.158 0.000 0.790 289 L CB -0.866 41.317 42.059 0.206 0.000 0.919 289 L HN 0.155 nan 8.230 nan 0.000 0.443 290 A N -0.892 122.026 122.820 0.163 0.000 2.248 290 A HA -0.113 4.207 4.320 -0.000 0.000 0.210 290 A C 2.419 180.168 177.584 0.274 0.000 1.174 290 A CA 1.188 53.388 52.037 0.272 0.000 0.750 290 A CB -0.666 18.480 19.000 0.243 0.000 0.780 290 A HN 0.486 nan 8.150 nan 0.000 0.478 291 S N 0.094 115.843 115.700 0.081 0.000 2.489 291 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 291 S C 1.253 175.794 174.600 -0.099 0.000 0.995 291 S CA 0.862 59.036 58.200 -0.043 0.000 0.934 291 S CB -0.471 62.657 63.200 -0.120 0.000 0.771 291 S HN 0.641 nan 8.310 nan 0.000 0.522 292 N N 0.275 118.913 118.700 -0.103 0.000 2.412 292 N HA 0.151 4.891 4.740 -0.000 0.000 0.184 292 N C -0.529 174.761 175.510 -0.367 0.000 1.101 292 N CA 0.460 53.349 53.050 -0.267 0.000 0.881 292 N CB 0.011 38.262 38.487 -0.393 0.000 0.969 292 N HN 0.495 nan 8.380 nan 0.000 0.459 293 F N 1.107 121.051 119.950 -0.010 0.000 2.963 293 F HA 0.428 4.955 4.527 -0.000 0.000 0.321 293 F C 0.353 176.206 175.800 0.088 0.000 1.234 293 F CA -0.493 57.530 58.000 0.038 0.000 1.296 293 F CB 0.211 39.240 39.000 0.048 0.000 0.981 293 F HN -0.227 nan 8.300 nan 0.000 0.507 294 I N 0.446 121.082 120.570 0.109 0.000 2.396 294 I HA 0.052 4.222 4.170 -0.000 0.000 0.289 294 I C 0.955 177.091 176.117 0.031 0.000 1.056 294 I CA -0.311 61.017 61.300 0.048 0.000 1.365 294 I CB 0.917 38.869 38.000 -0.081 0.000 1.407 294 I HN 0.090 nan 8.210 nan 0.000 0.509 295 S N 7.777 123.514 115.700 0.061 0.000 2.549 295 S HA 0.129 4.599 4.470 -0.000 0.000 0.286 295 S C -1.319 173.274 174.600 -0.011 0.000 1.314 295 S CA -0.988 57.232 58.200 0.033 0.000 1.062 295 S CB 0.865 64.093 63.200 0.047 0.000 0.865 295 S HN 0.399 nan 8.310 nan 0.000 0.498 296 P HA -0.035 nan 4.420 nan 0.000 0.217 296 P C 0.849 178.131 177.300 -0.030 0.000 1.150 296 P CA 0.920 64.002 63.100 -0.030 0.000 0.832 296 P CB 0.047 31.733 31.700 -0.023 0.000 0.787 297 N N -1.130 117.559 118.700 -0.020 0.000 2.331 297 N HA -0.031 4.709 4.740 -0.000 0.000 0.180 297 N C 0.903 176.394 175.510 -0.032 0.000 1.019 297 N CA 0.587 53.625 53.050 -0.021 0.000 0.881 297 N CB -0.298 38.184 38.487 -0.009 0.000 0.972 297 N HN 0.271 nan 8.380 nan 0.000 0.435 298 M N 0.418 119.997 119.600 -0.036 0.000 2.367 298 M HA 0.167 4.647 4.480 -0.000 0.000 0.339 298 M C -0.819 175.413 176.300 -0.114 0.000 1.177 298 M CA -0.125 55.141 55.300 -0.057 0.000 1.068 298 M CB 1.266 33.851 32.600 -0.025 0.000 1.602 298 M HN -0.212 nan 8.290 nan 0.000 0.457 299 T N 3.806 118.262 114.554 -0.164 0.000 2.788 299 T HA 0.545 4.895 4.350 -0.000 0.000 0.296 299 T C -0.967 173.475 174.700 -0.430 0.000 1.009 299 T CA -0.517 61.412 62.100 -0.286 0.000 0.949 299 T CB 0.559 69.271 68.868 -0.261 0.000 0.946 299 T HN 0.445 nan 8.240 nan 0.000 0.453 300 V N 4.675 124.286 119.914 -0.505 0.000 2.540 300 V HA 0.389 4.509 4.120 -0.000 0.000 0.302 300 V C -0.467 175.246 176.094 -0.636 0.000 1.035 300 V CA -1.054 60.903 62.300 -0.572 0.000 0.873 300 V CB 1.611 33.071 31.823 -0.605 0.000 0.992 300 V HN 0.801 nan 8.190 nan 0.000 0.428 301 H N 5.274 124.138 119.070 -0.343 0.000 2.597 301 H HA 0.487 5.043 4.556 -0.000 0.000 0.303 301 H C -0.641 174.613 175.328 -0.124 0.000 1.057 301 H CA -0.315 55.603 56.048 -0.217 0.000 1.261 301 H CB 1.539 31.153 29.762 -0.247 0.000 1.397 301 H HN 0.433 nan 8.280 nan 0.000 0.461 302 L N 3.301 124.511 121.223 -0.022 0.000 2.272 302 L HA 0.213 4.553 4.340 -0.000 0.000 0.289 302 L C 0.606 177.488 176.870 0.019 0.000 1.032 302 L CA -0.418 54.396 54.840 -0.044 0.000 0.810 302 L CB 1.360 43.353 42.059 -0.110 0.000 1.205 302 L HN 0.391 nan 8.230 nan 0.000 0.422 303 Q N 2.429 122.255 119.800 0.043 0.000 2.257 303 Q HA 0.310 4.650 4.340 -0.000 0.000 0.255 303 Q C -1.043 174.944 176.000 -0.020 0.000 0.920 303 Q CA -0.080 55.746 55.803 0.039 0.000 0.927 303 Q CB 2.075 30.846 28.738 0.056 0.000 1.229 303 Q HN 0.569 nan 8.270 nan 0.000 0.433 304 S N 2.168 117.824 115.700 -0.073 0.000 2.449 304 S HA 0.129 4.599 4.470 -0.000 0.000 0.310 304 S C 0.901 175.368 174.600 -0.222 0.000 1.096 304 S CA -0.506 57.617 58.200 -0.130 0.000 1.095 304 S CB 0.840 63.953 63.200 -0.146 0.000 1.007 304 S HN 0.700 nan 8.310 nan 0.000 0.474 305 E N 3.748 123.808 120.200 -0.233 0.000 2.204 305 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 305 E C 1.054 177.403 176.600 -0.418 0.000 0.990 305 E CA 1.243 57.424 56.400 -0.366 0.000 0.821 305 E CB -0.406 29.162 29.700 -0.220 0.000 0.750 305 E HN 0.723 nan 8.360 nan 0.000 0.477 306 N N 1.196 119.532 118.700 -0.606 0.000 2.571 306 N HA -0.039 4.701 4.740 -0.000 0.000 0.189 306 N C 0.870 176.042 175.510 -0.563 0.000 1.154 306 N CA 1.068 53.586 53.050 -0.886 0.000 0.907 306 N CB 0.527 37.965 38.487 -1.748 0.000 0.977 306 N HN 0.359 nan 8.380 nan 0.000 0.449 307 G N 0.224 108.701 108.800 -0.539 0.000 2.462 307 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.124 307 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.124 307 G C -0.737 173.439 174.900 -1.207 0.000 1.062 307 G CA -0.457 44.146 45.100 -0.828 0.000 0.764 307 G HN 0.282 nan 8.290 nan 0.000 0.485 308 I N 0.011 120.061 120.570 -0.867 0.000 2.582 308 I HA 0.600 4.770 4.170 -0.000 0.000 0.292 308 I C -0.695 175.257 176.117 -0.274 0.000 1.066 308 I CA -1.278 59.653 61.300 -0.615 0.000 1.053 308 I CB 2.116 39.948 38.000 -0.280 0.000 1.241 308 I HN 0.080 nan 8.210 nan 0.000 0.421 309 L N 5.451 126.611 121.223 -0.105 0.000 2.325 309 L HA 0.821 5.161 4.340 -0.000 0.000 0.281 309 L C 0.343 177.187 176.870 -0.044 0.000 1.004 309 L CA 0.184 55.065 54.840 0.068 0.000 0.823 309 L CB 1.356 43.534 42.059 0.199 0.000 1.236 309 L HN 0.827 nan 8.230 nan 0.000 0.415 310 G N 4.667 113.461 108.800 -0.010 0.000 2.327 310 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.159 310 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.159 310 G C -0.262 174.596 174.900 -0.070 0.000 1.056 310 G CA -0.324 44.764 45.100 -0.020 0.000 0.751 310 G HN 0.590 nan 8.290 nan 0.000 0.488 311 L N 0.894 122.075 121.223 -0.069 0.000 2.513 311 L HA 0.447 4.786 4.340 -0.000 0.000 0.272 311 L C 1.527 178.349 176.870 -0.080 0.000 1.187 311 L CA 0.738 55.536 54.840 -0.070 0.000 0.895 311 L CB 0.604 42.628 42.059 -0.059 0.000 1.147 311 L HN 0.373 nan 8.230 nan 0.000 0.483 312 G N 4.517 113.276 108.800 -0.069 0.000 2.583 312 G HA2 0.561 4.521 3.960 -0.000 0.000 0.280 312 G HA3 0.561 4.521 3.960 -0.000 0.000 0.280 312 G C -2.641 172.195 174.900 -0.105 0.000 1.376 312 G CA -0.856 44.196 45.100 -0.080 0.000 1.043 312 G HN 0.393 nan 8.290 nan 0.000 0.538 313 P HA 0.209 nan 4.420 nan 0.000 0.277 313 P C -0.954 176.286 177.300 -0.100 0.000 1.271 313 P CA -0.579 62.408 63.100 -0.187 0.000 0.795 313 P CB 0.491 32.100 31.700 -0.153 0.000 1.101 314 Y N -0.041 120.256 120.300 -0.006 0.000 2.578 314 Y HA 0.102 4.652 4.550 -0.000 0.000 0.339 314 Y C -1.209 174.687 175.900 -0.007 0.000 1.231 314 Y CA -1.661 56.440 58.100 0.002 0.000 1.461 314 Y CB -1.420 37.045 38.460 0.009 0.000 1.323 314 Y HN 0.310 nan 8.280 nan 0.000 0.590 315 P HA 0.168 nan 4.420 nan 0.000 0.274 315 P C -0.422 176.916 177.300 0.064 0.000 1.246 315 P CA -0.304 62.847 63.100 0.085 0.000 0.795 315 P CB 1.112 32.851 31.700 0.064 0.000 1.006 316 L N 0.495 121.740 121.223 0.037 0.000 2.479 316 L HA 0.102 4.442 4.340 -0.000 0.000 0.248 316 L C 2.384 179.265 176.870 0.018 0.000 1.205 316 L CA -0.271 54.584 54.840 0.024 0.000 0.817 316 L CB -0.184 41.884 42.059 0.015 0.000 1.162 316 L HN 0.372 nan 8.230 nan 0.000 0.486 317 Q N 1.440 121.247 119.800 0.011 0.000 2.061 317 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 317 Q C 1.683 177.687 176.000 0.006 0.000 0.984 317 Q CA 2.390 58.197 55.803 0.006 0.000 0.846 317 Q CB -0.216 28.524 28.738 0.004 0.000 0.902 317 Q HN 0.732 nan 8.270 nan 0.000 0.421 318 N N -0.340 118.364 118.700 0.007 0.000 2.396 318 N HA -0.150 4.590 4.740 -0.000 0.000 0.180 318 N C 1.003 176.517 175.510 0.008 0.000 1.028 318 N CA 1.250 54.304 53.050 0.007 0.000 0.893 318 N CB -0.180 38.312 38.487 0.007 0.000 0.967 318 N HN 0.464 nan 8.380 nan 0.000 0.440 319 E N 0.307 120.513 120.200 0.011 0.000 2.371 319 E HA 0.074 4.424 4.350 -0.000 0.000 0.194 319 E C -0.042 176.565 176.600 0.012 0.000 1.012 319 E CA -0.104 56.304 56.400 0.012 0.000 0.860 319 E CB 0.433 30.144 29.700 0.019 0.000 0.811 319 E HN 0.079 nan 8.360 nan 0.000 0.502 320 V N 2.630 122.551 119.914 0.011 0.000 2.644 320 V HA -0.074 4.046 4.120 -0.000 0.000 0.305 320 V C 0.010 176.104 176.094 -0.000 0.000 1.053 320 V CA 0.755 63.061 62.300 0.009 0.000 1.186 320 V CB 0.454 32.280 31.823 0.004 0.000 0.895 320 V HN 0.124 nan 8.190 nan 0.000 0.490 321 D N 3.167 123.566 120.400 -0.002 0.000 2.936 321 D HA 0.547 5.186 4.640 -0.000 0.000 0.238 321 D C 0.418 176.708 176.300 -0.017 0.000 1.248 321 D CA -0.028 53.959 54.000 -0.021 0.000 0.903 321 D CB 2.207 42.983 40.800 -0.039 0.000 1.544 321 D HN 0.450 nan 8.370 nan 0.000 0.543 322 A N 2.930 125.739 122.820 -0.019 0.000 2.066 322 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 322 A C 1.172 178.750 177.584 -0.011 0.000 1.157 322 A CA 0.958 52.995 52.037 -0.000 0.000 0.670 322 A CB 0.030 19.039 19.000 0.015 0.000 0.804 322 A HN 0.489 nan 8.150 nan 0.000 0.453 323 D N -1.188 119.173 120.400 -0.065 0.000 2.336 323 D HA 0.190 4.830 4.640 -0.000 0.000 0.229 323 D C -0.429 175.796 176.300 -0.125 0.000 1.061 323 D CA 0.404 54.337 54.000 -0.112 0.000 0.875 323 D CB 0.385 41.057 40.800 -0.213 0.000 0.904 323 D HN 0.273 nan 8.370 nan 0.000 0.525 324 L N 1.628 122.817 121.223 -0.058 0.000 2.471 324 L HA 0.401 4.741 4.340 -0.000 0.000 0.263 324 L C -0.977 175.913 176.870 0.034 0.000 0.985 324 L CA -0.764 54.064 54.840 -0.021 0.000 0.868 324 L CB 0.782 42.840 42.059 0.000 0.000 1.203 324 L HN -0.057 nan 8.230 nan 0.000 0.429 325 I N 1.439 122.039 120.570 0.050 0.000 2.865 325 I HA 0.689 4.859 4.170 -0.000 0.000 0.302 325 I C -0.648 175.523 176.117 0.089 0.000 1.140 325 I CA -0.858 60.500 61.300 0.097 0.000 1.021 325 I CB 2.159 40.245 38.000 0.143 0.000 1.233 325 I HN 0.566 nan 8.210 nan 0.000 0.427 326 N N 3.754 122.528 118.700 0.123 0.000 2.374 326 N HA 0.336 5.076 4.740 -0.000 0.000 0.284 326 N C 0.955 176.571 175.510 0.175 0.000 1.280 326 N CA 0.075 53.186 53.050 0.101 0.000 0.963 326 N CB 0.317 38.876 38.487 0.121 0.000 1.141 326 N HN 0.844 nan 8.380 nan 0.000 0.565 327 A N -0.777 122.131 122.820 0.147 0.000 1.908 327 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 327 A C 1.872 179.630 177.584 0.289 0.000 1.181 327 A CA 1.867 54.070 52.037 0.276 0.000 0.627 327 A CB -1.583 17.507 19.000 0.149 0.000 0.818 327 A HN 0.817 nan 8.150 nan 0.000 0.445 328 G N -1.668 107.231 108.800 0.165 0.000 2.956 328 G HA2 0.243 4.203 3.960 -0.000 0.000 0.207 328 G HA3 0.243 4.203 3.960 -0.000 0.000 0.207 328 G C 0.627 175.602 174.900 0.126 0.000 1.162 328 G CA 0.563 45.728 45.100 0.109 0.000 0.796 328 G HN 0.576 nan 8.290 nan 0.000 0.527 329 K N -0.947 119.563 120.400 0.184 0.000 3.423 329 K HA -0.148 4.171 4.320 -0.000 0.000 0.306 329 K C -0.148 176.521 176.600 0.114 0.000 1.331 329 K CA 0.812 57.193 56.287 0.157 0.000 0.905 329 K CB -1.347 31.204 32.500 0.084 0.000 1.332 329 K HN 0.561 nan 8.250 nan 0.000 0.473 330 E N 1.569 121.841 120.200 0.120 0.000 2.301 330 E HA 0.138 4.487 4.350 -0.000 0.000 0.275 330 E C 0.345 177.006 176.600 0.103 0.000 1.030 330 E CA -0.217 56.230 56.400 0.078 0.000 0.852 330 E CB 0.791 30.546 29.700 0.091 0.000 1.060 330 E HN 0.198 nan 8.360 nan 0.000 0.401 331 T N -0.563 114.022 114.554 0.052 0.000 2.902 331 T HA 0.288 4.638 4.350 -0.000 0.000 0.301 331 T C 0.336 175.132 174.700 0.160 0.000 1.012 331 T CA -0.785 61.359 62.100 0.073 0.000 1.151 331 T CB 0.215 69.101 68.868 0.030 0.000 0.946 331 T HN 0.317 nan 8.240 nan 0.000 0.542 332 V N -0.346 119.655 119.914 0.144 0.000 3.156 332 V HA 0.961 5.081 4.120 -0.000 0.000 0.310 332 V C -0.021 176.127 176.094 0.090 0.000 1.234 332 V CA -0.774 61.622 62.300 0.160 0.000 1.065 332 V CB 1.627 33.526 31.823 0.126 0.000 1.088 332 V HN 1.245 nan 8.190 nan 0.000 0.451 333 T N -0.757 113.832 114.554 0.059 0.000 2.940 333 T HA 0.866 5.215 4.350 -0.000 0.000 0.288 333 T C -0.276 174.430 174.700 0.010 0.000 1.045 333 T CA -0.230 61.890 62.100 0.034 0.000 1.018 333 T CB 1.568 70.447 68.868 0.019 0.000 1.151 333 T HN 2.038 nan 8.240 nan 0.000 0.529 334 V N -0.359 119.557 119.914 0.004 0.000 2.628 334 V HA 0.716 4.835 4.120 -0.000 0.000 0.306 334 V C -0.218 175.852 176.094 -0.040 0.000 1.045 334 V CA -1.271 61.006 62.300 -0.038 0.000 0.905 334 V CB 0.889 32.666 31.823 -0.077 0.000 0.997 334 V HN 0.961 nan 8.190 nan 0.000 0.436 335 L N 2.951 124.142 121.223 -0.053 0.000 2.468 335 L HA 0.485 4.825 4.340 -0.000 0.000 0.254 335 L C -2.018 174.831 176.870 -0.035 0.000 1.171 335 L CA -1.662 53.153 54.840 -0.043 0.000 0.809 335 L CB 0.520 42.550 42.059 -0.050 0.000 1.155 335 L HN 0.454 nan 8.230 nan 0.000 0.473 336 P HA 0.095 nan 4.420 nan 0.000 0.268 336 P C 0.461 177.756 177.300 -0.008 0.000 1.205 336 P CA 0.459 63.551 63.100 -0.014 0.000 0.771 336 P CB 0.631 32.326 31.700 -0.007 0.000 0.858 337 G N 0.853 109.645 108.800 -0.014 0.000 2.136 337 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.242 337 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.242 337 G C 0.403 175.278 174.900 -0.041 0.000 0.989 337 G CA -0.041 45.050 45.100 -0.015 0.000 0.682 337 G HN 0.837 nan 8.290 nan 0.000 0.522 338 A N -0.379 122.392 122.820 -0.081 0.000 2.287 338 A HA 0.923 5.242 4.320 -0.000 0.000 0.273 338 A C 0.730 178.179 177.584 -0.225 0.000 1.091 338 A CA 0.783 52.726 52.037 -0.157 0.000 0.817 338 A CB 0.915 19.777 19.000 -0.230 0.000 1.069 338 A HN 2.035 nan 8.150 nan 0.000 0.492 339 S N -0.947 114.580 115.700 -0.288 0.000 2.564 339 S HA 0.739 5.209 4.470 -0.000 0.000 0.274 339 S C -1.419 172.918 174.600 -0.438 0.000 1.124 339 S CA -0.610 57.446 58.200 -0.240 0.000 0.869 339 S CB 0.873 64.077 63.200 0.007 0.000 1.105 339 S HN 0.518 nan 8.310 nan 0.000 0.472 340 Y N 1.114 121.361 120.300 -0.089 0.000 2.468 340 Y HA 0.803 5.353 4.550 -0.000 0.000 0.342 340 Y C -0.231 175.539 175.900 -0.218 0.000 1.021 340 Y CA -1.081 56.814 58.100 -0.342 0.000 1.079 340 Y CB 1.560 39.868 38.460 -0.253 0.000 1.226 340 Y HN 0.862 nan 8.280 nan 0.000 0.460 341 F N -1.806 118.113 119.950 -0.052 0.000 2.713 341 F HA 0.701 5.228 4.527 -0.000 0.000 0.311 341 F C -0.337 175.330 175.800 -0.221 0.000 1.141 341 F CA -1.660 56.242 58.000 -0.163 0.000 0.939 341 F CB 0.513 39.406 39.000 -0.177 0.000 1.325 341 F HN 0.358 nan 8.300 nan 0.000 0.453 342 S N -0.063 115.610 115.700 -0.046 0.000 2.617 342 S HA 0.274 4.744 4.470 -0.000 0.000 0.259 342 S C 0.644 175.147 174.600 -0.161 0.000 1.301 342 S CA 0.077 58.157 58.200 -0.200 0.000 0.984 342 S CB 1.137 64.192 63.200 -0.243 0.000 0.954 342 S HN 0.690 nan 8.310 nan 0.000 0.572 343 S N 1.204 116.709 115.700 -0.324 0.000 2.406 343 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 343 S C 1.689 176.182 174.600 -0.179 0.000 1.020 343 S CA 1.014 58.995 58.200 -0.365 0.000 0.965 343 S CB -0.612 61.988 63.200 -1.001 0.000 0.798 343 S HN 0.914 nan 8.310 nan 0.000 0.488 344 D N 1.467 121.733 120.400 -0.223 0.000 2.144 344 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 344 D C 1.725 177.979 176.300 -0.076 0.000 0.978 344 D CA 1.015 54.943 54.000 -0.120 0.000 0.833 344 D CB -0.369 40.339 40.800 -0.154 0.000 0.961 344 D HN 0.321 nan 8.370 nan 0.000 0.470 345 E N 0.909 121.051 120.200 -0.096 0.000 2.112 345 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 345 E C 2.031 178.537 176.600 -0.157 0.000 0.979 345 E CA 1.087 57.408 56.400 -0.132 0.000 0.814 345 E CB -0.375 29.247 29.700 -0.130 0.000 0.762 345 E HN 0.145 nan 8.360 nan 0.000 0.460 346 S N -1.222 114.466 115.700 -0.020 0.000 2.382 346 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 346 S C 1.459 175.884 174.600 -0.291 0.000 1.027 346 S CA 1.140 59.298 58.200 -0.070 0.000 0.991 346 S CB -0.359 62.773 63.200 -0.114 0.000 0.823 346 S HN 0.353 nan 8.310 nan 0.000 0.469 347 F N 1.130 121.046 119.950 -0.056 0.000 2.754 347 F HA 0.453 4.980 4.527 -0.000 0.000 0.297 347 F C 2.261 178.034 175.800 -0.045 0.000 1.122 347 F CA 0.216 58.195 58.000 -0.035 0.000 1.400 347 F CB -0.465 38.522 39.000 -0.022 0.000 1.117 347 F HN 0.247 nan 8.300 nan 0.000 0.587 348 A N 0.100 122.948 122.820 0.048 0.000 1.902 348 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 348 A C 2.271 179.851 177.584 -0.006 0.000 1.181 348 A CA 1.694 53.724 52.037 -0.011 0.000 0.623 348 A CB -0.690 18.254 19.000 -0.092 0.000 0.818 348 A HN 0.376 nan 8.150 nan 0.000 0.443 349 M N -0.571 118.960 119.600 -0.114 0.000 2.065 349 M HA -0.146 4.334 4.480 -0.000 0.000 0.259 349 M C 2.032 178.351 176.300 0.032 0.000 1.069 349 M CA 1.975 57.196 55.300 -0.132 0.000 1.110 349 M CB -0.307 32.094 32.600 -0.332 0.000 1.328 349 M HN 0.453 nan 8.290 nan 0.000 0.405 350 I N -0.798 119.763 120.570 -0.015 0.000 2.163 350 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 350 I C 2.631 178.809 176.117 0.102 0.000 1.081 350 I CA 1.300 62.621 61.300 0.035 0.000 1.353 350 I CB -0.533 37.476 38.000 0.015 0.000 1.054 350 I HN 0.330 nan 8.210 nan 0.000 0.407 351 R N 0.980 121.569 120.500 0.149 0.000 2.152 351 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 351 R C 2.063 178.417 176.300 0.090 0.000 1.117 351 R CA 1.370 57.554 56.100 0.141 0.000 0.981 351 R CB -0.325 30.072 30.300 0.162 0.000 0.870 351 R HN 0.438 nan 8.270 nan 0.000 0.451 352 G N -1.201 107.650 108.800 0.085 0.000 2.813 352 G HA2 0.065 4.025 3.960 -0.000 0.000 0.209 352 G HA3 0.065 4.025 3.960 -0.000 0.000 0.209 352 G C 0.804 175.566 174.900 -0.231 0.000 1.150 352 G CA 0.445 45.544 45.100 -0.000 0.000 0.785 352 G HN 0.516 nan 8.290 nan 0.000 0.535 353 G N -0.324 108.397 108.800 -0.131 0.000 2.136 353 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.242 353 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.242 353 G C 0.845 175.613 174.900 -0.219 0.000 0.989 353 G CA 0.485 45.493 45.100 -0.154 0.000 0.682 353 G HN 0.576 nan 8.290 nan 0.000 0.522 354 H N -0.885 118.144 119.070 -0.068 0.000 2.502 354 H HA 0.154 4.709 4.556 -0.000 0.000 0.283 354 H C 1.408 176.670 175.328 -0.109 0.000 1.015 354 H CA 1.166 57.141 56.048 -0.122 0.000 1.298 354 H CB 0.380 30.018 29.762 -0.206 0.000 1.411 354 H HN 0.346 nan 8.280 nan 0.000 0.556 355 V N 2.241 122.181 119.914 0.043 0.000 2.498 355 V HA 0.008 4.128 4.120 -0.000 0.000 0.279 355 V C 0.738 176.888 176.094 0.093 0.000 1.048 355 V CA -0.119 62.225 62.300 0.074 0.000 0.967 355 V CB 1.473 33.331 31.823 0.058 0.000 0.988 355 V HN 0.342 nan 8.190 nan 0.000 0.473 356 N N 2.837 121.624 118.700 0.146 0.000 2.290 356 N HA 0.122 4.862 4.740 -0.000 0.000 0.179 356 N C -0.126 175.445 175.510 0.102 0.000 1.016 356 N CA 0.419 53.542 53.050 0.121 0.000 0.871 356 N CB 0.230 38.804 38.487 0.145 0.000 0.987 356 N HN 0.473 nan 8.380 nan 0.000 0.431 357 L N -0.287 121.006 121.223 0.117 0.000 2.493 357 L HA 0.406 4.745 4.340 -0.000 0.000 0.265 357 L C -1.253 175.686 176.870 0.116 0.000 0.954 357 L CA -0.392 54.516 54.840 0.113 0.000 0.844 357 L CB 2.253 44.396 42.059 0.140 0.000 1.302 357 L HN -0.278 nan 8.230 nan 0.000 0.405 358 T N 4.798 119.409 114.554 0.096 0.000 2.807 358 T HA 0.616 4.965 4.350 -0.000 0.000 0.279 358 T C -0.723 174.028 174.700 0.085 0.000 0.993 358 T CA -0.382 61.774 62.100 0.092 0.000 0.970 358 T CB 0.718 69.635 68.868 0.080 0.000 0.950 358 T HN 0.655 nan 8.240 nan 0.000 0.441 359 M N 5.932 125.588 119.600 0.093 0.000 2.066 359 M HA 0.553 5.033 4.480 -0.000 0.000 0.340 359 M C -1.601 174.735 176.300 0.061 0.000 1.053 359 M CA -0.383 54.959 55.300 0.070 0.000 0.983 359 M CB 0.379 33.032 32.600 0.088 0.000 1.520 359 M HN 0.475 nan 8.290 nan 0.000 0.428 360 L N 3.997 125.249 121.223 0.048 0.000 2.362 360 L HA 0.719 5.058 4.340 -0.000 0.000 0.275 360 L C 0.635 177.529 176.870 0.041 0.000 0.998 360 L CA -1.113 53.758 54.840 0.052 0.000 0.820 360 L CB 1.890 43.985 42.059 0.060 0.000 1.270 360 L HN 0.772 nan 8.230 nan 0.000 0.415 361 G N 1.730 110.557 108.800 0.045 0.000 2.594 361 G HA2 0.562 4.522 3.960 -0.000 0.000 0.243 361 G HA3 0.562 4.522 3.960 -0.000 0.000 0.243 361 G C -0.544 174.386 174.900 0.049 0.000 1.229 361 G CA 0.177 45.302 45.100 0.042 0.000 0.843 361 G HN 0.783 nan 8.290 nan 0.000 0.578 362 A N 0.926 123.769 122.820 0.038 0.000 2.594 362 A HA 0.681 5.001 4.320 -0.000 0.000 0.291 362 A C 0.434 178.035 177.584 0.030 0.000 1.105 362 A CA -0.652 51.408 52.037 0.039 0.000 0.694 362 A CB 1.386 20.396 19.000 0.016 0.000 1.291 362 A HN 0.590 nan 8.150 nan 0.000 0.410 363 M N -0.508 119.111 119.600 0.031 0.000 2.730 363 M HA 0.216 4.696 4.480 -0.000 0.000 0.258 363 M C 0.365 176.661 176.300 -0.007 0.000 1.279 363 M CA 0.962 56.271 55.300 0.015 0.000 1.183 363 M CB 0.482 33.092 32.600 0.017 0.000 1.291 363 M HN 0.725 nan 8.290 nan 0.000 0.518 364 Q N 0.017 119.813 119.800 -0.007 0.000 2.462 364 Q HA 0.659 4.999 4.340 -0.000 0.000 0.285 364 Q C -1.562 174.418 176.000 -0.032 0.000 1.035 364 Q CA -0.689 55.097 55.803 -0.028 0.000 0.799 364 Q CB 3.927 32.653 28.738 -0.021 0.000 1.452 364 Q HN -0.039 nan 8.270 nan 0.000 0.404 365 V N 0.571 120.443 119.914 -0.069 0.000 2.888 365 V HA 0.476 4.596 4.120 -0.000 0.000 0.309 365 V C -0.445 175.593 176.094 -0.094 0.000 1.114 365 V CA -0.717 61.539 62.300 -0.074 0.000 0.940 365 V CB 1.952 33.710 31.823 -0.109 0.000 1.021 365 V HN 0.831 nan 8.190 nan 0.000 0.426 366 S N 2.498 118.160 115.700 -0.063 0.000 2.681 366 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 366 S C 1.131 175.653 174.600 -0.130 0.000 1.209 366 S CA -0.051 58.106 58.200 -0.071 0.000 0.988 366 S CB 1.361 64.556 63.200 -0.007 0.000 1.006 366 S HN 0.807 nan 8.310 nan 0.000 0.558 367 K N 0.299 120.577 120.400 -0.205 0.000 2.063 367 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 367 K C 0.546 176.932 176.600 -0.356 0.000 1.048 367 K CA 1.675 57.745 56.287 -0.361 0.000 0.928 367 K CB -0.303 31.840 32.500 -0.596 0.000 0.713 367 K HN 0.778 nan 8.250 nan 0.000 0.442 368 Y N -0.579 119.722 120.300 0.001 0.000 2.532 368 Y HA 0.267 4.817 4.550 -0.000 0.000 0.283 368 Y C 1.033 176.939 175.900 0.010 0.000 1.181 368 Y CA 0.127 58.233 58.100 0.011 0.000 1.256 368 Y CB 0.875 39.343 38.460 0.014 0.000 1.112 368 Y HN 0.334 nan 8.280 nan 0.000 0.521 369 G N -0.321 108.532 108.800 0.089 0.000 2.141 369 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.231 369 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.231 369 G C -0.472 174.464 174.900 0.060 0.000 0.984 369 G CA -0.275 44.861 45.100 0.061 0.000 0.660 369 G HN 0.239 nan 8.290 nan 0.000 0.525 370 D N 0.044 120.483 120.400 0.065 0.000 2.455 370 D HA 0.431 5.071 4.640 -0.000 0.000 0.241 370 D C 0.509 176.836 176.300 0.045 0.000 1.138 370 D CA 0.071 54.106 54.000 0.059 0.000 0.877 370 D CB 1.764 42.601 40.800 0.061 0.000 1.187 370 D HN 0.310 nan 8.370 nan 0.000 0.451 371 L N 1.135 122.394 121.223 0.061 0.000 2.331 371 L HA 0.679 5.018 4.340 -0.000 0.000 0.275 371 L C -1.085 175.846 176.870 0.103 0.000 1.022 371 L CA -0.757 54.124 54.840 0.068 0.000 0.812 371 L CB 1.660 43.764 42.059 0.076 0.000 1.257 371 L HN 0.433 nan 8.230 nan 0.000 0.435 372 A N 3.444 126.323 122.820 0.099 0.000 2.442 372 A HA 0.637 4.957 4.320 -0.000 0.000 0.284 372 A C -0.710 176.948 177.584 0.123 0.000 1.058 372 A CA -0.283 51.832 52.037 0.130 0.000 0.738 372 A CB 0.637 19.670 19.000 0.055 0.000 1.242 372 A HN 0.822 nan 8.150 nan 0.000 0.421 373 N N 1.281 120.113 118.700 0.219 0.000 2.228 373 N HA -0.021 4.719 4.740 -0.000 0.000 0.237 373 N C 0.269 175.948 175.510 0.282 0.000 1.382 373 N CA 0.231 53.394 53.050 0.188 0.000 0.787 373 N CB -0.144 38.438 38.487 0.159 0.000 1.320 373 N HN 0.847 nan 8.380 nan 0.000 0.507 374 W N 0.104 121.452 121.300 0.080 0.000 2.904 374 W HA 0.563 5.223 4.660 -0.000 0.000 0.265 374 W C -0.459 176.122 176.519 0.102 0.000 1.138 374 W CA -0.239 57.169 57.345 0.105 0.000 1.455 374 W CB 0.422 29.942 29.460 0.100 0.000 0.924 374 W HN -0.048 nan 8.180 nan 0.000 0.619 375 M N 1.412 120.760 119.600 -0.420 0.000 2.322 375 M HA 0.431 4.911 4.480 -0.000 0.000 0.285 375 M C -2.144 173.975 176.300 -0.301 0.000 1.119 375 M CA -0.466 54.599 55.300 -0.392 0.000 0.953 375 M CB 2.512 34.688 32.600 -0.706 0.000 1.701 375 M HN -0.113 nan 8.290 nan 0.000 0.479 376 I N 6.238 126.718 120.570 -0.150 0.000 2.307 376 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 376 I C -2.145 173.913 176.117 -0.100 0.000 1.054 376 I CA -1.898 59.333 61.300 -0.115 0.000 1.218 376 I CB 1.035 38.995 38.000 -0.066 0.000 1.398 376 I HN 0.408 nan 8.210 nan 0.000 0.475 377 P HA -0.016 nan 4.420 nan 0.000 0.258 377 P C 0.993 178.248 177.300 -0.075 0.000 1.172 377 P CA 0.858 63.919 63.100 -0.066 0.000 0.762 377 P CB 0.478 32.145 31.700 -0.056 0.000 0.764 378 G N 2.968 111.703 108.800 -0.108 0.000 2.184 378 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 378 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 378 G C 0.860 175.655 174.900 -0.174 0.000 0.975 378 G CA 0.706 45.669 45.100 -0.229 0.000 0.642 378 G HN 0.537 nan 8.290 nan 0.000 0.536 379 K N -1.861 118.476 120.400 -0.105 0.000 2.524 379 K HA 0.496 4.816 4.320 -0.000 0.000 0.210 379 K C -0.150 176.427 176.600 -0.039 0.000 1.340 379 K CA 0.108 56.351 56.287 -0.074 0.000 0.880 379 K CB 0.555 33.019 32.500 -0.061 0.000 1.616 379 K HN 0.212 nan 8.250 nan 0.000 0.457 380 L N 1.861 123.071 121.223 -0.022 0.000 2.404 380 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 380 L C -1.573 175.319 176.870 0.037 0.000 0.980 380 L CA -0.601 54.245 54.840 0.010 0.000 0.836 380 L CB 2.035 44.097 42.059 0.005 0.000 1.238 380 L HN -0.180 nan 8.230 nan 0.000 0.408 381 V N 6.614 126.586 119.914 0.097 0.000 2.294 381 V HA 0.410 4.529 4.120 -0.000 0.000 0.272 381 V C 0.799 176.947 176.094 0.090 0.000 1.027 381 V CA -0.536 61.864 62.300 0.166 0.000 0.823 381 V CB 0.826 32.878 31.823 0.381 0.000 1.030 381 V HN 0.719 nan 8.190 nan 0.000 0.457 382 K N 2.874 123.328 120.400 0.090 0.000 2.141 382 K HA 0.362 4.682 4.320 -0.000 0.000 0.202 382 K C 1.012 177.650 176.600 0.062 0.000 1.045 382 K CA 0.947 57.253 56.287 0.031 0.000 0.971 382 K CB 0.328 32.969 32.500 0.235 0.000 0.795 382 K HN 0.957 nan 8.250 nan 0.000 0.459 383 G N 1.964 110.966 108.800 0.336 0.000 2.692 383 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 383 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 383 G C 0.463 175.643 174.900 0.466 0.000 1.243 383 G CA 0.053 45.405 45.100 0.420 0.000 0.782 383 G HN 0.089 nan 8.290 nan 0.000 0.625 384 M N 1.105 120.838 119.600 0.222 0.000 2.419 384 M HA 0.284 4.764 4.480 -0.000 0.000 0.264 384 M C 1.735 178.084 176.300 0.081 0.000 1.082 384 M CA 2.412 57.747 55.300 0.059 0.000 1.119 384 M CB -1.826 30.541 32.600 -0.389 0.000 1.398 384 M HN 2.790 nan 8.290 nan 0.000 0.453 385 G N 1.201 110.065 108.800 0.108 0.000 2.596 385 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.295 385 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.295 385 G C 0.699 175.646 174.900 0.079 0.000 1.240 385 G CA 0.614 45.772 45.100 0.097 0.000 0.985 385 G HN 0.827 nan 8.290 nan 0.000 0.555 386 G N 0.156 109.075 108.800 0.199 0.000 2.985 386 G HA2 0.483 4.442 3.960 -0.000 0.000 0.209 386 G HA3 0.483 4.442 3.960 -0.000 0.000 0.209 386 G C 1.749 176.779 174.900 0.217 0.000 1.165 386 G CA 1.806 47.093 45.100 0.312 0.000 0.776 386 G HN 1.690 nan 8.290 nan 0.000 0.541 387 A N 0.793 123.683 122.820 0.117 0.000 1.972 387 A HA 0.012 4.331 4.320 -0.000 0.000 0.219 387 A C 2.329 179.952 177.584 0.065 0.000 1.169 387 A CA 1.291 53.385 52.037 0.095 0.000 0.635 387 A CB -0.276 18.776 19.000 0.087 0.000 0.810 387 A HN 0.402 nan 8.150 nan 0.000 0.446 388 M N -0.706 118.897 119.600 0.005 0.000 2.254 388 M HA -0.109 4.371 4.480 -0.000 0.000 0.265 388 M C 1.260 177.583 176.300 0.038 0.000 1.066 388 M CA 1.272 56.562 55.300 -0.017 0.000 1.123 388 M CB -0.501 32.034 32.600 -0.109 0.000 1.388 388 M HN 0.398 nan 8.290 nan 0.000 0.425 389 D N 0.625 121.067 120.400 0.070 0.000 2.123 389 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 389 D C 2.094 178.497 176.300 0.172 0.000 0.976 389 D CA 1.199 55.284 54.000 0.141 0.000 0.831 389 D CB -0.073 40.859 40.800 0.222 0.000 0.974 389 D HN 0.344 nan 8.370 nan 0.000 0.469 390 L N 1.059 122.389 121.223 0.179 0.000 2.141 390 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 390 L C 2.471 179.399 176.870 0.098 0.000 1.094 390 L CA 0.704 55.626 54.840 0.137 0.000 0.763 390 L CB -0.247 41.889 42.059 0.128 0.000 0.908 390 L HN 0.007 nan 8.230 nan 0.000 0.437 391 V N -4.478 115.488 119.914 0.088 0.000 3.623 391 V HA 0.013 4.133 4.120 -0.000 0.000 0.271 391 V C 2.289 178.422 176.094 0.065 0.000 1.248 391 V CA 0.913 63.256 62.300 0.071 0.000 1.156 391 V CB -0.182 31.682 31.823 0.067 0.000 0.870 391 V HN 0.450 nan 8.190 nan 0.000 0.453 392 S N 0.160 115.902 115.700 0.071 0.000 2.436 392 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 392 S C 1.367 175.995 174.600 0.047 0.000 1.014 392 S CA 0.913 59.149 58.200 0.060 0.000 0.950 392 S CB -0.452 62.795 63.200 0.078 0.000 0.784 392 S HN 0.631 nan 8.310 nan 0.000 0.504 393 S N 0.861 116.595 115.700 0.056 0.000 2.474 393 S HA 0.631 5.101 4.470 -0.000 0.000 0.276 393 S C 1.163 175.780 174.600 0.029 0.000 1.227 393 S CA -0.139 58.086 58.200 0.041 0.000 1.050 393 S CB 0.817 64.041 63.200 0.040 0.000 0.939 393 S HN 0.564 nan 8.310 nan 0.000 0.490 394 A N 5.695 128.525 122.820 0.017 0.000 2.019 394 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 394 A C 1.943 179.536 177.584 0.014 0.000 1.164 394 A CA 1.228 53.274 52.037 0.015 0.000 0.644 394 A CB -0.302 18.703 19.000 0.008 0.000 0.805 394 A HN 0.894 nan 8.150 nan 0.000 0.449 395 K N -0.349 120.054 120.400 0.005 0.000 2.486 395 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 395 K C -0.350 176.260 176.600 0.016 0.000 1.033 395 K CA 0.629 56.916 56.287 -0.000 0.000 1.004 395 K CB 0.042 32.523 32.500 -0.031 0.000 0.798 395 K HN 0.342 nan 8.250 nan 0.000 0.495 396 T N 1.634 116.204 114.554 0.027 0.000 2.758 396 T HA 0.150 4.500 4.350 -0.000 0.000 0.285 396 T C -0.438 174.291 174.700 0.048 0.000 0.981 396 T CA -0.664 61.462 62.100 0.043 0.000 0.965 396 T CB 1.819 70.716 68.868 0.049 0.000 0.927 396 T HN 0.013 nan 8.240 nan 0.000 0.448 397 K N 2.782 123.214 120.400 0.054 0.000 2.270 397 K HA 0.438 4.758 4.320 -0.000 0.000 0.276 397 K C -0.938 175.696 176.600 0.056 0.000 1.023 397 K CA -0.448 55.870 56.287 0.052 0.000 0.955 397 K CB 0.552 33.083 32.500 0.052 0.000 0.975 397 K HN 0.328 nan 8.250 nan 0.000 0.471 398 V N 4.655 124.599 119.914 0.051 0.000 2.409 398 V HA 0.298 4.418 4.120 -0.000 0.000 0.291 398 V C -0.641 175.477 176.094 0.040 0.000 1.020 398 V CA -0.918 61.412 62.300 0.050 0.000 0.848 398 V CB 1.612 33.466 31.823 0.051 0.000 0.990 398 V HN 0.505 nan 8.190 nan 0.000 0.430 399 V N 5.639 125.575 119.914 0.036 0.000 2.409 399 V HA 0.438 4.557 4.120 -0.000 0.000 0.291 399 V C -0.173 175.929 176.094 0.014 0.000 1.020 399 V CA -0.643 61.668 62.300 0.018 0.000 0.848 399 V CB 2.090 33.912 31.823 -0.002 0.000 0.990 399 V HN 0.606 nan 8.190 nan 0.000 0.430 400 V N 4.431 124.349 119.914 0.008 0.000 2.383 400 V HA 0.407 4.527 4.120 -0.000 0.000 0.275 400 V C 0.558 176.645 176.094 -0.012 0.000 1.036 400 V CA -0.287 62.014 62.300 0.002 0.000 0.889 400 V CB 1.756 33.577 31.823 -0.005 0.000 0.985 400 V HN 1.014 nan 8.190 nan 0.000 0.459 401 T N 3.991 118.537 114.554 -0.014 0.000 2.947 401 T HA 0.743 5.093 4.350 -0.000 0.000 0.337 401 T C -0.582 174.106 174.700 -0.021 0.000 1.139 401 T CA -0.656 61.426 62.100 -0.029 0.000 0.992 401 T CB 0.382 69.222 68.868 -0.045 0.000 1.043 401 T HN 0.657 nan 8.240 nan 0.000 0.498 402 M N 0.228 119.813 119.600 -0.024 0.000 2.593 402 M HA 0.690 5.170 4.480 -0.000 0.000 0.290 402 M C -0.798 175.493 176.300 -0.016 0.000 1.244 402 M CA -1.062 54.227 55.300 -0.019 0.000 0.857 402 M CB 1.771 34.355 32.600 -0.026 0.000 1.738 402 M HN 0.148 nan 8.290 nan 0.000 0.461 403 E N 0.592 120.789 120.200 -0.004 0.000 2.415 403 E HA -0.024 4.326 4.350 -0.000 0.000 0.262 403 E C 0.023 176.646 176.600 0.039 0.000 1.038 403 E CA 0.300 56.712 56.400 0.020 0.000 0.921 403 E CB 0.744 30.458 29.700 0.022 0.000 0.950 403 E HN 0.775 nan 8.360 nan 0.000 0.438 404 H N 1.043 120.111 119.070 -0.004 0.000 2.363 404 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 404 H C -0.106 175.232 175.328 0.017 0.000 1.074 404 H CA 1.067 57.119 56.048 0.007 0.000 1.354 404 H CB 0.550 30.329 29.762 0.028 0.000 1.397 404 H HN 0.179 nan 8.280 nan 0.000 0.516 405 S N -0.525 115.292 115.700 0.194 0.000 2.542 405 S HA 0.671 5.141 4.470 -0.000 0.000 0.293 405 S C -0.561 174.087 174.600 0.080 0.000 1.089 405 S CA -0.503 57.789 58.200 0.154 0.000 0.961 405 S CB 2.011 65.326 63.200 0.192 0.000 1.062 405 S HN 0.564 nan 8.310 nan 0.000 0.483 406 A N 2.218 125.072 122.820 0.057 0.000 2.275 406 A HA 0.541 4.861 4.320 -0.000 0.000 0.282 406 A C 0.006 177.603 177.584 0.022 0.000 1.275 406 A CA -0.448 51.606 52.037 0.029 0.000 0.842 406 A CB -0.041 18.968 19.000 0.014 0.000 1.280 406 A HN 0.769 nan 8.150 nan 0.000 0.508 407 K N -0.627 119.779 120.400 0.010 0.000 2.527 407 K HA 0.308 4.627 4.320 -0.000 0.000 0.278 407 K C 1.005 177.603 176.600 -0.003 0.000 0.981 407 K CA 1.314 57.603 56.287 0.004 0.000 1.009 407 K CB -0.059 32.441 32.500 -0.001 0.000 0.895 407 K HN 1.468 nan 8.250 nan 0.000 0.493 408 G N 2.662 111.461 108.800 -0.002 0.000 2.198 408 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 408 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 408 G C 0.162 175.054 174.900 -0.013 0.000 1.025 408 G CA 0.393 45.487 45.100 -0.010 0.000 0.769 408 G HN 0.846 nan 8.290 nan 0.000 0.507 409 N N -2.109 116.594 118.700 0.005 0.000 2.727 409 N HA -0.092 4.648 4.740 -0.000 0.000 0.249 409 N C 0.593 176.094 175.510 -0.016 0.000 1.048 409 N CA 1.999 55.062 53.050 0.021 0.000 0.714 409 N CB -1.186 37.315 38.487 0.024 0.000 0.959 409 N HN 1.911 nan 8.380 nan 0.000 0.544 410 A N 0.580 123.385 122.820 -0.025 0.000 2.327 410 A HA 0.472 4.792 4.320 -0.000 0.000 0.283 410 A C 0.087 177.683 177.584 0.020 0.000 1.127 410 A CA -0.378 51.609 52.037 -0.083 0.000 0.810 410 A CB 0.327 19.294 19.000 -0.056 0.000 1.066 410 A HN 0.438 nan 8.150 nan 0.000 0.492 411 H N 1.052 120.132 119.070 0.016 0.000 2.790 411 H HA 0.176 4.732 4.556 -0.000 0.000 0.358 411 H C 0.550 175.862 175.328 -0.027 0.000 1.103 411 H CA 0.276 56.329 56.048 0.008 0.000 1.426 411 H CB 0.929 30.693 29.762 0.004 0.000 1.424 411 H HN 0.759 nan 8.280 nan 0.000 0.599 412 K N 1.527 121.967 120.400 0.066 0.000 2.403 412 K HA 0.253 4.573 4.320 -0.000 0.000 0.199 412 K C 0.351 176.888 176.600 -0.105 0.000 1.199 412 K CA 0.134 56.403 56.287 -0.031 0.000 0.924 412 K CB 0.828 33.292 32.500 -0.059 0.000 1.137 412 K HN 0.321 nan 8.250 nan 0.000 0.510 413 I N 3.551 123.998 120.570 -0.206 0.000 2.395 413 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 413 I C 0.031 176.032 176.117 -0.193 0.000 1.023 413 I CA -0.053 61.078 61.300 -0.282 0.000 1.350 413 I CB 0.782 38.470 38.000 -0.521 0.000 1.409 413 I HN 0.145 nan 8.210 nan 0.000 0.507 414 M N 2.687 122.191 119.600 -0.159 0.000 3.012 414 M HA 0.402 4.881 4.480 -0.000 0.000 0.272 414 M C -0.271 175.967 176.300 -0.103 0.000 1.187 414 M CA -0.821 54.420 55.300 -0.099 0.000 0.813 414 M CB 1.509 34.090 32.600 -0.031 0.000 1.626 414 M HN 0.228 nan 8.290 nan 0.000 0.507 415 E N 1.165 121.320 120.200 -0.074 0.000 2.051 415 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 415 E C 0.013 176.577 176.600 -0.060 0.000 0.991 415 E CA 1.569 57.918 56.400 -0.084 0.000 0.799 415 E CB 0.231 29.906 29.700 -0.041 0.000 0.748 415 E HN 0.477 nan 8.360 nan 0.000 0.449 416 K N -0.627 119.758 120.400 -0.024 0.000 2.508 416 K HA 0.272 4.592 4.320 -0.000 0.000 0.260 416 K C -1.400 175.198 176.600 -0.003 0.000 0.949 416 K CA -0.597 55.690 56.287 -0.000 0.000 0.834 416 K CB 2.137 34.649 32.500 0.020 0.000 1.365 416 K HN -0.045 nan 8.250 nan 0.000 0.437 417 C N 2.248 121.550 119.300 0.003 0.000 2.527 417 C HA 0.154 4.614 4.460 -0.000 0.000 0.396 417 C C 1.915 176.904 174.990 -0.002 0.000 1.289 417 C CA -0.308 58.709 59.018 -0.001 0.000 2.047 417 C CB 0.369 28.114 27.740 0.008 0.000 2.568 417 C HN 0.937 nan 8.230 nan 0.000 0.573 418 T N 0.658 115.206 114.554 -0.010 0.000 3.044 418 T HA 0.146 4.495 4.350 -0.000 0.000 0.255 418 T C 0.557 175.238 174.700 -0.032 0.000 1.073 418 T CA 0.384 62.474 62.100 -0.016 0.000 1.125 418 T CB -0.080 68.778 68.868 -0.017 0.000 0.908 418 T HN 0.535 nan 8.240 nan 0.000 0.480 419 L N 1.743 122.940 121.223 -0.043 0.000 2.456 419 L HA 0.422 4.762 4.340 -0.000 0.000 0.257 419 L C -2.261 174.563 176.870 -0.077 0.000 1.162 419 L CA -2.592 52.198 54.840 -0.083 0.000 0.808 419 L CB 0.009 42.010 42.059 -0.098 0.000 1.136 419 L HN -0.040 nan 8.230 nan 0.000 0.466 420 P HA 0.094 nan 4.420 nan 0.000 0.268 420 P C -0.709 176.659 177.300 0.113 0.000 1.204 420 P CA -0.032 63.029 63.100 -0.065 0.000 0.768 420 P CB 0.370 31.892 31.700 -0.296 0.000 0.842 421 L N 2.360 123.720 121.223 0.230 0.000 2.397 421 L HA 0.107 4.447 4.340 -0.000 0.000 0.271 421 L C 1.591 178.708 176.870 0.411 0.000 1.148 421 L CA 0.113 55.101 54.840 0.246 0.000 0.825 421 L CB 0.253 42.391 42.059 0.133 0.000 1.117 421 L HN 0.442 nan 8.230 nan 0.000 0.456 422 T N 0.733 115.475 114.554 0.313 0.000 2.894 422 T HA 0.136 4.486 4.350 -0.000 0.000 0.258 422 T C 0.597 175.347 174.700 0.082 0.000 1.043 422 T CA 0.777 62.988 62.100 0.185 0.000 1.141 422 T CB 0.250 69.230 68.868 0.187 0.000 0.873 422 T HN 0.811 nan 8.240 nan 0.000 0.449 423 G N 0.306 109.160 108.800 0.091 0.000 2.673 423 G HA2 0.559 4.519 3.960 -0.000 0.000 0.292 423 G HA3 0.559 4.519 3.960 -0.000 0.000 0.292 423 G C -1.897 173.040 174.900 0.062 0.000 1.450 423 G CA -0.885 44.253 45.100 0.064 0.000 0.837 423 G HN 0.024 nan 8.290 nan 0.000 0.505 424 K N 1.048 121.478 120.400 0.051 0.000 2.211 424 K HA 0.365 4.684 4.320 -0.000 0.000 0.275 424 K C -0.071 176.567 176.600 0.063 0.000 1.024 424 K CA -0.372 55.945 56.287 0.050 0.000 0.887 424 K CB 1.221 33.735 32.500 0.024 0.000 1.084 424 K HN 0.648 nan 8.250 nan 0.000 0.463 425 Q N 0.612 120.456 119.800 0.072 0.000 2.447 425 Q HA -0.247 4.093 4.340 -0.000 0.000 0.348 425 Q C 0.415 176.455 176.000 0.067 0.000 1.421 425 Q CA 0.478 56.328 55.803 0.079 0.000 0.978 425 Q CB -1.838 26.942 28.738 0.070 0.000 1.191 425 Q HN 0.928 nan 8.270 nan 0.000 0.371 426 C N -4.687 114.652 119.300 0.064 0.000 3.449 426 C HA 0.418 4.878 4.460 -0.000 0.000 0.404 426 C C 0.923 175.946 174.990 0.054 0.000 1.383 426 C CA -0.254 58.799 59.018 0.058 0.000 1.936 426 C CB -0.035 27.741 27.740 0.060 0.000 2.738 426 C HN 0.318 nan 8.230 nan 0.000 0.663 427 V N 3.704 123.649 119.914 0.052 0.000 2.530 427 V HA 0.217 4.337 4.120 -0.000 0.000 0.282 427 V C 0.456 176.578 176.094 0.046 0.000 1.048 427 V CA 0.710 63.036 62.300 0.043 0.000 0.997 427 V CB 0.848 32.688 31.823 0.029 0.000 0.987 427 V HN 0.507 nan 8.190 nan 0.000 0.477 428 N N 2.736 121.463 118.700 0.044 0.000 2.454 428 N HA 0.197 4.937 4.740 -0.000 0.000 0.177 428 N C 0.610 176.149 175.510 0.048 0.000 1.049 428 N CA -0.031 53.047 53.050 0.047 0.000 0.887 428 N CB 0.504 39.018 38.487 0.044 0.000 1.095 428 N HN 0.595 nan 8.380 nan 0.000 0.446 429 R N 0.502 121.027 120.500 0.041 0.000 2.698 429 R HA 0.530 4.870 4.340 -0.000 0.000 0.275 429 R C -1.950 174.376 176.300 0.042 0.000 1.001 429 R CA -0.512 55.617 56.100 0.047 0.000 0.896 429 R CB 1.450 31.768 30.300 0.031 0.000 1.218 429 R HN -0.080 nan 8.270 nan 0.000 0.462 430 I N 5.097 125.712 120.570 0.075 0.000 2.439 430 I HA 0.380 4.550 4.170 -0.000 0.000 0.285 430 I C -0.535 175.648 176.117 0.109 0.000 1.021 430 I CA -0.607 60.731 61.300 0.064 0.000 1.091 430 I CB 1.907 39.914 38.000 0.013 0.000 1.242 430 I HN 0.423 nan 8.210 nan 0.000 0.439 431 I N 6.015 126.610 120.570 0.042 0.000 2.362 431 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 431 I C 0.401 176.529 176.117 0.017 0.000 0.994 431 I CA -0.218 61.096 61.300 0.023 0.000 1.158 431 I CB 1.834 39.811 38.000 -0.038 0.000 1.315 431 I HN 0.618 nan 8.210 nan 0.000 0.451 432 T N 0.878 115.467 114.554 0.058 0.000 2.807 432 T HA 0.271 4.620 4.350 -0.000 0.000 0.277 432 T C 0.837 175.525 174.700 -0.019 0.000 1.006 432 T CA -0.638 61.494 62.100 0.054 0.000 1.006 432 T CB 1.713 70.697 68.868 0.193 0.000 1.274 432 T HN 0.611 nan 8.240 nan 0.000 0.569 433 E N 0.335 120.504 120.200 -0.052 0.000 2.427 433 E HA -0.006 4.344 4.350 -0.000 0.000 0.196 433 E C 1.139 177.601 176.600 -0.231 0.000 1.028 433 E CA 0.827 57.101 56.400 -0.211 0.000 0.864 433 E CB -0.083 29.495 29.700 -0.203 0.000 0.813 433 E HN 0.731 nan 8.360 nan 0.000 0.514 434 K N -0.029 120.359 120.400 -0.020 0.000 2.287 434 K HA 0.369 4.689 4.320 -0.000 0.000 0.199 434 K C 0.699 177.357 176.600 0.097 0.000 1.061 434 K CA 0.751 57.058 56.287 0.033 0.000 0.976 434 K CB 0.847 33.267 32.500 -0.133 0.000 0.898 434 K HN 0.160 nan 8.250 nan 0.000 0.492 435 A N 0.354 123.240 122.820 0.110 0.000 2.564 435 A HA 0.595 4.914 4.320 -0.000 0.000 0.291 435 A C -1.660 175.897 177.584 -0.044 0.000 1.102 435 A CA -0.665 51.354 52.037 -0.030 0.000 0.660 435 A CB 1.461 20.322 19.000 -0.233 0.000 1.283 435 A HN -0.122 nan 8.150 nan 0.000 0.430 436 V N 0.214 119.975 119.914 -0.254 0.000 2.638 436 V HA 0.643 4.763 4.120 -0.000 0.000 0.306 436 V C -1.401 174.489 176.094 -0.340 0.000 1.052 436 V CA -0.242 61.972 62.300 -0.143 0.000 0.885 436 V CB 1.236 33.009 31.823 -0.083 0.000 0.999 436 V HN 0.673 nan 8.190 nan 0.000 0.424 437 F N 1.463 121.376 119.950 -0.062 0.000 2.507 437 F HA 0.516 5.043 4.527 -0.000 0.000 0.325 437 F C 0.222 176.003 175.800 -0.033 0.000 1.116 437 F CA -0.675 57.286 58.000 -0.064 0.000 0.930 437 F CB 1.722 40.666 39.000 -0.094 0.000 1.146 437 F HN 0.375 nan 8.300 nan 0.000 0.447 438 D N 2.511 122.994 120.400 0.138 0.000 2.277 438 D HA 0.337 4.977 4.640 -0.000 0.000 0.249 438 D C -0.693 175.681 176.300 0.123 0.000 1.134 438 D CA 0.129 54.190 54.000 0.102 0.000 0.863 438 D CB 1.834 42.674 40.800 0.067 0.000 1.143 438 D HN 0.098 nan 8.370 nan 0.000 0.458 439 V N 3.434 123.406 119.914 0.097 0.000 2.328 439 V HA 0.191 4.311 4.120 -0.000 0.000 0.278 439 V C 0.053 176.202 176.094 0.091 0.000 1.021 439 V CA -0.796 61.556 62.300 0.088 0.000 0.838 439 V CB 1.570 33.430 31.823 0.061 0.000 0.999 439 V HN 0.395 nan 8.190 nan 0.000 0.447 440 D N 3.163 123.629 120.400 0.110 0.000 2.163 440 D HA 0.358 4.998 4.640 -0.000 0.000 0.248 440 D C 1.359 177.759 176.300 0.166 0.000 1.035 440 D CA -0.722 53.348 54.000 0.116 0.000 0.872 440 D CB 1.563 42.428 40.800 0.108 0.000 1.183 440 D HN 0.532 nan 8.370 nan 0.000 0.445 441 R N 2.390 122.966 120.500 0.127 0.000 2.115 441 R HA -0.026 4.313 4.340 -0.000 0.000 0.230 441 R C 0.974 177.310 176.300 0.061 0.000 1.111 441 R CA 0.991 57.164 56.100 0.122 0.000 0.976 441 R CB 0.077 30.409 30.300 0.054 0.000 0.870 441 R HN 0.248 nan 8.270 nan 0.000 0.445 442 K N 0.550 120.980 120.400 0.050 0.000 2.240 442 K HA 0.141 4.460 4.320 -0.000 0.000 0.202 442 K C 1.741 178.413 176.600 0.121 0.000 1.053 442 K CA 0.573 56.842 56.287 -0.029 0.000 0.973 442 K CB 0.414 32.901 32.500 -0.021 0.000 0.924 442 K HN 0.027 nan 8.250 nan 0.000 0.477 443 K N 0.393 120.894 120.400 0.168 0.000 2.418 443 K HA 0.108 4.428 4.320 -0.000 0.000 0.195 443 K C 0.663 177.404 176.600 0.234 0.000 1.035 443 K CA 0.425 56.822 56.287 0.182 0.000 1.003 443 K CB 0.606 33.175 32.500 0.115 0.000 0.793 443 K HN 0.321 nan 8.250 nan 0.000 0.494 444 G N 1.573 110.558 108.800 0.308 0.000 2.593 444 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.237 444 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.237 444 G C -0.439 174.515 174.900 0.091 0.000 1.312 444 G CA -0.751 44.422 45.100 0.121 0.000 0.896 444 G HN 0.098 nan 8.290 nan 0.000 0.574 445 L N 0.393 121.648 121.223 0.054 0.000 2.452 445 L HA 0.584 4.923 4.340 -0.000 0.000 0.267 445 L C 0.614 177.612 176.870 0.214 0.000 1.188 445 L CA 0.138 55.062 54.840 0.140 0.000 0.821 445 L CB 1.130 43.275 42.059 0.143 0.000 1.102 445 L HN 0.705 nan 8.230 nan 0.000 0.470 446 T N 2.823 117.521 114.554 0.240 0.000 3.143 446 T HA 0.262 4.612 4.350 -0.000 0.000 0.312 446 T C -0.760 174.009 174.700 0.114 0.000 0.986 446 T CA -0.504 61.711 62.100 0.191 0.000 1.024 446 T CB 1.388 70.327 68.868 0.118 0.000 1.030 446 T HN 0.213 nan 8.240 nan 0.000 0.448 447 L N 5.841 127.091 121.223 0.044 0.000 2.369 447 L HA 0.432 4.772 4.340 -0.000 0.000 0.279 447 L C 0.994 177.776 176.870 -0.147 0.000 1.108 447 L CA 0.210 54.883 54.840 -0.278 0.000 0.852 447 L CB -0.176 41.681 42.059 -0.335 0.000 1.169 447 L HN 0.782 nan 8.230 nan 0.000 0.452 448 I N 0.153 120.619 120.570 -0.172 0.000 3.616 448 I HA 0.364 4.534 4.170 -0.000 0.000 0.296 448 I C 0.352 176.412 176.117 -0.094 0.000 1.226 448 I CA -0.036 61.211 61.300 -0.088 0.000 1.394 448 I CB 0.137 38.108 38.000 -0.047 0.000 1.171 448 I HN 0.465 nan 8.210 nan 0.000 0.442 449 E N 1.265 121.382 120.200 -0.138 0.000 2.355 449 E HA 0.718 5.068 4.350 -0.000 0.000 0.261 449 E C -1.665 174.852 176.600 -0.138 0.000 0.943 449 E CA -0.970 55.370 56.400 -0.100 0.000 0.806 449 E CB 3.145 32.810 29.700 -0.058 0.000 1.286 449 E HN 0.047 nan 8.360 nan 0.000 0.424 450 L N 0.964 122.150 121.223 -0.062 0.000 2.676 450 L HA 0.244 4.583 4.340 -0.000 0.000 0.262 450 L C -1.541 175.365 176.870 0.059 0.000 0.932 450 L CA -0.253 54.561 54.840 -0.043 0.000 0.932 450 L CB 1.316 43.331 42.059 -0.074 0.000 1.355 450 L HN 0.681 nan 8.230 nan 0.000 0.421 451 W N 5.622 126.868 121.300 -0.091 0.000 2.170 451 W HA 0.195 4.854 4.660 -0.000 0.000 0.342 451 W C 0.196 176.682 176.519 -0.054 0.000 1.294 451 W CA -0.046 57.261 57.345 -0.064 0.000 1.246 451 W CB 0.852 30.279 29.460 -0.055 0.000 1.156 451 W HN 0.813 nan 8.180 nan 0.000 0.572 452 E N 3.430 123.073 120.200 -0.929 0.000 2.392 452 E HA 0.353 4.702 4.350 -0.000 0.000 0.264 452 E C 0.760 177.036 176.600 -0.540 0.000 1.024 452 E CA 0.548 56.520 56.400 -0.713 0.000 0.903 452 E CB 1.057 30.275 29.700 -0.803 0.000 0.963 452 E HN 0.740 nan 8.360 nan 0.000 0.432 453 G N 2.760 111.402 108.800 -0.265 0.000 3.400 453 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.209 453 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.209 453 G C 0.032 174.896 174.900 -0.060 0.000 1.411 453 G CA -0.070 44.949 45.100 -0.135 0.000 0.917 453 G HN 0.466 nan 8.290 nan 0.000 0.570 454 L N 3.771 124.980 121.223 -0.023 0.000 2.565 454 L HA 0.461 4.800 4.340 -0.000 0.000 0.275 454 L C 1.647 178.514 176.870 -0.005 0.000 1.137 454 L CA 0.800 55.646 54.840 0.010 0.000 0.915 454 L CB 0.440 42.523 42.059 0.042 0.000 1.232 454 L HN 0.693 nan 8.230 nan 0.000 0.473 455 T N -0.772 113.784 114.554 0.003 0.000 2.729 455 T HA 0.189 4.539 4.350 -0.000 0.000 0.298 455 T C 1.418 176.152 174.700 0.056 0.000 1.013 455 T CA -0.749 61.359 62.100 0.013 0.000 0.957 455 T CB 0.671 69.545 68.868 0.010 0.000 1.130 455 T HN 0.148 nan 8.240 nan 0.000 0.526 456 V N 1.302 121.266 119.914 0.083 0.000 2.867 456 V HA -0.100 4.020 4.120 -0.000 0.000 0.260 456 V C 2.121 178.326 176.094 0.186 0.000 1.099 456 V CA 1.823 64.233 62.300 0.183 0.000 1.122 456 V CB -1.005 30.909 31.823 0.151 0.000 0.708 456 V HN 0.775 nan 8.190 nan 0.000 0.490 457 D N 0.062 120.521 120.400 0.099 0.000 2.137 457 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 457 D C 1.829 178.183 176.300 0.091 0.000 0.970 457 D CA 1.100 55.147 54.000 0.077 0.000 0.837 457 D CB -0.215 40.610 40.800 0.041 0.000 0.981 457 D HN 0.422 nan 8.370 nan 0.000 0.475 458 D N 0.383 120.827 120.400 0.073 0.000 2.144 458 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 458 D C 2.001 178.336 176.300 0.057 0.000 0.984 458 D CA 0.416 54.447 54.000 0.053 0.000 0.834 458 D CB 0.023 40.839 40.800 0.027 0.000 0.955 458 D HN 0.140 nan 8.370 nan 0.000 0.465 459 I N 0.430 121.059 120.570 0.098 0.000 2.439 459 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 459 I C 2.100 178.412 176.117 0.325 0.000 1.139 459 I CA 0.871 62.245 61.300 0.124 0.000 1.438 459 I CB -0.603 37.445 38.000 0.079 0.000 1.085 459 I HN -0.059 nan 8.210 nan 0.000 0.427 460 K N 2.017 122.645 120.400 0.380 0.000 2.063 460 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 460 K C 1.794 178.488 176.600 0.156 0.000 1.048 460 K CA 1.436 57.899 56.287 0.294 0.000 0.928 460 K CB -0.077 32.485 32.500 0.104 0.000 0.713 460 K HN 0.427 nan 8.250 nan 0.000 0.442 461 K N -1.523 118.953 120.400 0.126 0.000 2.387 461 K HA 0.198 4.517 4.320 -0.000 0.000 0.198 461 K C 0.696 177.397 176.600 0.168 0.000 1.022 461 K CA 0.405 56.766 56.287 0.124 0.000 1.128 461 K CB 0.811 33.376 32.500 0.109 0.000 0.853 461 K HN -0.142 nan 8.250 nan 0.000 0.523 462 S N 0.391 116.158 115.700 0.111 0.000 2.540 462 S HA 0.092 4.562 4.470 -0.000 0.000 0.222 462 S C -0.143 174.488 174.600 0.053 0.000 1.008 462 S CA -0.232 58.057 58.200 0.148 0.000 0.939 462 S CB 0.837 64.053 63.200 0.027 0.000 0.865 462 S HN 0.264 nan 8.310 nan 0.000 0.499 463 T N 1.101 115.605 114.554 -0.084 0.000 2.786 463 T HA 0.420 4.770 4.350 -0.000 0.000 0.283 463 T C 1.057 175.494 174.700 -0.438 0.000 0.992 463 T CA -0.530 61.459 62.100 -0.185 0.000 0.954 463 T CB 1.593 70.507 68.868 0.077 0.000 0.934 463 T HN 0.195 nan 8.240 nan 0.000 0.440 464 G N 1.339 109.806 108.800 -0.554 0.000 2.882 464 G HA2 0.189 4.149 3.960 -0.000 0.000 0.206 464 G HA3 0.189 4.149 3.960 -0.000 0.000 0.206 464 G C 0.652 175.503 174.900 -0.082 0.000 1.155 464 G CA 0.007 44.950 45.100 -0.263 0.000 0.800 464 G HN 0.918 nan 8.290 nan 0.000 0.524 465 C N -0.300 118.955 119.300 -0.076 0.000 2.994 465 C HA 0.707 5.167 4.460 -0.000 0.000 0.304 465 C C -0.315 174.702 174.990 0.045 0.000 1.273 465 C CA -1.516 57.483 59.018 -0.031 0.000 1.537 465 C CB 1.921 29.616 27.740 -0.075 0.000 2.001 465 C HN 0.348 nan 8.230 nan 0.000 0.471 466 D N 0.552 120.953 120.400 0.001 0.000 2.339 466 D HA 0.538 5.177 4.640 -0.000 0.000 0.245 466 D C -0.513 175.824 176.300 0.062 0.000 1.115 466 D CA 0.033 54.001 54.000 -0.054 0.000 0.917 466 D CB 0.860 41.596 40.800 -0.105 0.000 1.192 466 D HN 0.794 nan 8.370 nan 0.000 0.428 467 F N -2.267 117.708 119.950 0.042 0.000 2.591 467 F HA 0.682 5.209 4.527 -0.000 0.000 0.309 467 F C -0.757 175.086 175.800 0.072 0.000 1.098 467 F CA -1.569 56.481 58.000 0.084 0.000 0.937 467 F CB 1.126 40.257 39.000 0.217 0.000 1.250 467 F HN 0.471 nan 8.300 nan 0.000 0.447 468 A N 2.114 125.073 122.820 0.231 0.000 2.388 468 A HA 0.634 4.954 4.320 -0.000 0.000 0.257 468 A C -0.619 177.108 177.584 0.238 0.000 1.095 468 A CA -0.579 51.545 52.037 0.146 0.000 0.791 468 A CB 0.511 19.576 19.000 0.109 0.000 1.029 468 A HN 0.769 nan 8.150 nan 0.000 0.489 469 V N 2.579 122.584 119.914 0.152 0.000 2.394 469 V HA 0.343 4.463 4.120 -0.000 0.000 0.282 469 V C 0.842 176.981 176.094 0.075 0.000 1.031 469 V CA -0.426 61.960 62.300 0.144 0.000 0.881 469 V CB 1.245 33.140 31.823 0.120 0.000 0.982 469 V HN 0.938 nan 8.190 nan 0.000 0.451 470 S N 5.540 121.272 115.700 0.054 0.000 2.549 470 S HA 0.266 4.736 4.470 -0.000 0.000 0.279 470 S C -1.168 173.444 174.600 0.020 0.000 1.321 470 S CA -1.000 57.220 58.200 0.033 0.000 1.054 470 S CB 1.181 64.392 63.200 0.019 0.000 0.899 470 S HN 0.639 nan 8.310 nan 0.000 0.497 471 P HA -0.049 nan 4.420 nan 0.000 0.216 471 P C 0.379 177.682 177.300 0.005 0.000 1.150 471 P CA 1.168 64.274 63.100 0.010 0.000 0.843 471 P CB 0.120 31.827 31.700 0.010 0.000 0.787 472 K N -1.027 119.375 120.400 0.004 0.000 2.505 472 K HA 0.074 4.394 4.320 -0.000 0.000 0.192 472 K C 0.473 177.068 176.600 -0.009 0.000 1.025 472 K CA -0.257 56.029 56.287 -0.002 0.000 1.086 472 K CB -0.924 31.576 32.500 -0.000 0.000 0.840 472 K HN 0.057 nan 8.250 nan 0.000 0.514 473 L N 1.738 122.956 121.223 -0.010 0.000 2.573 473 L HA 0.000 4.340 4.340 -0.000 0.000 0.290 473 L C 0.004 176.859 176.870 -0.025 0.000 1.247 473 L CA 0.843 55.670 54.840 -0.021 0.000 0.876 473 L CB 0.053 42.102 42.059 -0.016 0.000 1.123 473 L HN 0.288 nan 8.230 nan 0.000 0.505 474 I N 1.120 121.671 120.570 -0.033 0.000 3.279 474 I HA 0.692 4.861 4.170 -0.000 0.000 0.315 474 I C -2.661 173.435 176.117 -0.036 0.000 1.187 474 I CA -2.592 58.689 61.300 -0.030 0.000 0.953 474 I CB 1.716 39.703 38.000 -0.022 0.000 1.279 474 I HN 0.359 nan 8.210 nan 0.000 0.465 475 P HA 0.235 nan 4.420 nan 0.000 0.274 475 P C -0.771 176.537 177.300 0.013 0.000 1.246 475 P CA -0.465 62.615 63.100 -0.034 0.000 0.795 475 P CB 0.528 32.191 31.700 -0.062 0.000 1.006 476 M N 1.746 121.396 119.600 0.083 0.000 2.217 476 M HA 0.074 4.554 4.480 -0.000 0.000 0.354 476 M C 0.031 176.420 176.300 0.147 0.000 1.225 476 M CA 0.238 55.620 55.300 0.138 0.000 1.137 476 M CB 0.205 32.964 32.600 0.264 0.000 1.576 476 M HN 0.322 nan 8.290 nan 0.000 0.461 477 Q N 2.917 122.762 119.800 0.075 0.000 2.256 477 Q HA 0.350 4.690 4.340 -0.000 0.000 0.232 477 Q C -1.050 174.983 176.000 0.056 0.000 0.965 477 Q CA -0.652 55.185 55.803 0.056 0.000 0.908 477 Q CB 1.179 29.927 28.738 0.016 0.000 1.209 477 Q HN 0.561 nan 8.270 nan 0.000 0.489 478 Q N 1.188 121.018 119.800 0.051 0.000 2.315 478 Q HA 0.315 4.655 4.340 -0.000 0.000 0.273 478 Q C -1.442 174.576 176.000 0.029 0.000 1.053 478 Q CA -0.831 54.992 55.803 0.033 0.000 0.817 478 Q CB 2.172 30.957 28.738 0.078 0.000 1.326 478 Q HN 0.488 nan 8.270 nan 0.000 0.423 479 L N 2.872 124.106 121.223 0.018 0.000 2.369 479 L HA 0.359 4.699 4.340 -0.000 0.000 0.279 479 L C -0.338 176.584 176.870 0.086 0.000 1.108 479 L CA 1.152 56.023 54.840 0.052 0.000 0.852 479 L CB 0.002 42.104 42.059 0.072 0.000 1.169 479 L HN 0.516 nan 8.230 nan 0.000 0.452 480 E N 0.000 120.242 120.200 0.070 0.000 2.725 480 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 480 E CA 0.000 56.440 56.400 0.067 0.000 0.976 480 E CB 0.000 29.745 29.700 0.075 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440