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 2nrc_1_C DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLAGI 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 ERLSVRKXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT 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 0.000 174.845 174.700 0.242 0.000 1.109 1 T CA 0.000 62.182 62.100 0.138 0.000 1.349 1 T CB 0.000 68.912 68.868 0.074 0.000 0.612 2 K N 2.831 123.362 120.400 0.219 0.000 2.185 2 K HA 0.691 5.011 4.320 -0.000 0.000 0.269 2 K C -1.109 175.691 176.600 0.332 0.000 0.987 2 K CA -0.692 55.772 56.287 0.294 0.000 0.865 2 K CB 0.629 33.243 32.500 0.190 0.000 1.090 2 K HN 0.320 nan 8.250 nan 0.000 0.450 3 F N 3.478 123.452 119.950 0.041 0.000 2.404 3 F HA 0.350 4.877 4.527 -0.000 0.000 0.339 3 F C -0.429 175.383 175.800 0.018 0.000 1.105 3 F CA -0.487 57.576 58.000 0.104 0.000 1.087 3 F CB 0.643 39.673 39.000 0.049 0.000 1.143 3 F HN 0.374 nan 8.300 nan 0.000 0.491 4 Y N -0.308 120.102 120.300 0.183 0.000 2.468 4 Y HA 0.339 4.889 4.550 -0.000 0.000 0.342 4 Y C 1.161 177.127 175.900 0.109 0.000 1.021 4 Y CA -1.106 57.069 58.100 0.124 0.000 1.079 4 Y CB 1.962 40.474 38.460 0.088 0.000 1.226 4 Y HN 0.619 nan 8.280 nan 0.000 0.460 5 T N -3.366 111.319 114.554 0.219 0.000 3.060 5 T HA 0.159 4.509 4.350 -0.000 0.000 0.249 5 T C -0.192 174.587 174.700 0.131 0.000 1.079 5 T CA 0.237 62.425 62.100 0.147 0.000 1.013 5 T CB -0.042 68.882 68.868 0.093 0.000 0.975 5 T HN 0.498 nan 8.240 nan 0.000 0.518 6 D N -0.332 120.168 120.400 0.168 0.000 2.787 6 D HA 0.696 5.336 4.640 -0.000 0.000 0.246 6 D C 0.945 177.305 176.300 0.099 0.000 1.150 6 D CA -0.320 53.749 54.000 0.115 0.000 0.864 6 D CB 1.745 42.606 40.800 0.102 0.000 1.481 6 D HN -0.002 nan 8.370 nan 0.000 0.509 7 A N 2.542 125.385 122.820 0.039 0.000 1.898 7 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 7 A C 2.030 179.595 177.584 -0.032 0.000 1.181 7 A CA 1.280 53.312 52.037 -0.008 0.000 0.620 7 A CB -0.606 18.381 19.000 -0.021 0.000 0.819 7 A HN 0.503 nan 8.150 nan 0.000 0.442 8 V N 0.074 119.981 119.914 -0.010 0.000 2.392 8 V HA -0.262 3.857 4.120 -0.000 0.000 0.249 8 V C 2.554 178.644 176.094 -0.008 0.000 1.059 8 V CA 2.436 64.726 62.300 -0.018 0.000 1.051 8 V CB -0.728 31.093 31.823 -0.003 0.000 0.658 8 V HN 0.676 nan 8.190 nan 0.000 0.455 9 E N 0.409 120.634 120.200 0.043 0.000 2.150 9 E HA -0.121 4.228 4.350 -0.000 0.000 0.193 9 E C 2.062 178.671 176.600 0.015 0.000 0.985 9 E CA 1.263 57.730 56.400 0.111 0.000 0.814 9 E CB -0.357 29.496 29.700 0.255 0.000 0.752 9 E HN 0.570 nan 8.360 nan 0.000 0.466 10 A N -0.330 122.347 122.820 -0.237 0.000 2.119 10 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 10 A C 1.863 179.315 177.584 -0.221 0.000 1.152 10 A CA 1.239 52.899 52.037 -0.628 0.000 0.708 10 A CB -0.002 18.564 19.000 -0.724 0.000 0.805 10 A HN 0.284 nan 8.150 nan 0.000 0.460 11 V N -3.045 116.791 119.914 -0.131 0.000 3.398 11 V HA 0.135 4.255 4.120 -0.000 0.000 0.298 11 V C 1.546 177.536 176.094 -0.174 0.000 1.496 11 V CA 0.694 62.904 62.300 -0.151 0.000 1.044 11 V CB -0.502 31.224 31.823 -0.161 0.000 0.880 11 V HN 0.549 nan 8.190 nan 0.000 0.443 12 K N 2.641 122.990 120.400 -0.084 0.000 2.362 12 K HA -0.198 4.122 4.320 -0.000 0.000 0.202 12 K C 1.056 177.615 176.600 -0.068 0.000 1.045 12 K CA 2.160 58.411 56.287 -0.059 0.000 0.936 12 K CB -0.473 32.025 32.500 -0.003 0.000 0.747 12 K HN 0.662 nan 8.250 nan 0.000 0.467 13 D N 0.935 121.295 120.400 -0.067 0.000 2.427 13 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 13 D C 0.088 176.290 176.300 -0.163 0.000 1.157 13 D CA -0.406 53.575 54.000 -0.030 0.000 0.828 13 D CB -0.250 40.615 40.800 0.108 0.000 0.974 13 D HN 0.269 nan 8.370 nan 0.000 0.498 14 I N 2.695 123.006 120.570 -0.431 0.000 2.436 14 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 14 I C -1.800 174.167 176.117 -0.250 0.000 1.083 14 I CA -1.638 59.275 61.300 -0.645 0.000 1.372 14 I CB 0.703 38.248 38.000 -0.758 0.000 1.408 14 I HN -0.189 nan 8.210 nan 0.000 0.516 15 P HA 0.060 nan 4.420 nan 0.000 0.272 15 P C -0.772 176.499 177.300 -0.049 0.000 1.223 15 P CA -0.392 62.683 63.100 -0.042 0.000 0.784 15 P CB 0.543 32.256 31.700 0.021 0.000 0.923 16 N N 0.628 119.308 118.700 -0.034 0.000 2.441 16 N HA 0.104 4.844 4.740 -0.000 0.000 0.251 16 N C 1.587 177.088 175.510 -0.016 0.000 1.242 16 N CA 1.407 54.439 53.050 -0.030 0.000 0.898 16 N CB -0.103 38.371 38.487 -0.021 0.000 1.100 16 N HN 0.794 nan 8.380 nan 0.000 0.443 17 G N -0.499 108.291 108.800 -0.015 0.000 2.184 17 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 17 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 17 G C 0.335 175.238 174.900 0.006 0.000 0.975 17 G CA 0.490 45.588 45.100 -0.004 0.000 0.642 17 G HN 0.924 nan 8.290 nan 0.000 0.536 18 A N -0.302 122.520 122.820 0.004 0.000 2.406 18 A HA 0.648 4.968 4.320 -0.000 0.000 0.243 18 A C 0.708 178.312 177.584 0.034 0.000 1.082 18 A CA 1.141 53.198 52.037 0.033 0.000 0.786 18 A CB 0.406 19.427 19.000 0.036 0.000 1.029 18 A HN 0.737 nan 8.150 nan 0.000 0.495 19 T N 1.534 116.125 114.554 0.061 0.000 2.733 19 T HA 0.492 4.842 4.350 -0.000 0.000 0.294 19 T C -0.453 174.294 174.700 0.080 0.000 0.956 19 T CA -0.130 62.001 62.100 0.052 0.000 0.987 19 T CB 0.487 69.383 68.868 0.048 0.000 0.920 19 T HN 0.423 nan 8.240 nan 0.000 0.470 20 V N 5.488 125.436 119.914 0.057 0.000 2.540 20 V HA 0.461 4.581 4.120 -0.000 0.000 0.302 20 V C -0.188 175.934 176.094 0.047 0.000 1.035 20 V CA -0.987 61.359 62.300 0.076 0.000 0.873 20 V CB 1.750 33.598 31.823 0.042 0.000 0.992 20 V HN 0.736 nan 8.190 nan 0.000 0.428 21 L N 4.997 126.256 121.223 0.060 0.000 2.276 21 L HA 0.602 4.942 4.340 -0.000 0.000 0.286 21 L C -0.620 176.270 176.870 0.034 0.000 1.061 21 L CA -0.616 54.246 54.840 0.037 0.000 0.807 21 L CB 1.459 43.545 42.059 0.046 0.000 1.177 21 L HN 0.363 nan 8.230 nan 0.000 0.429 22 V N 2.482 122.401 119.914 0.007 0.000 2.350 22 V HA 0.434 4.554 4.120 -0.000 0.000 0.285 22 V C 0.835 176.935 176.094 0.010 0.000 1.014 22 V CA -0.660 61.643 62.300 0.005 0.000 0.831 22 V CB 1.169 32.978 31.823 -0.022 0.000 1.000 22 V HN 0.887 nan 8.190 nan 0.000 0.433 23 G N 2.677 111.510 108.800 0.054 0.000 2.699 23 G HA2 0.547 4.507 3.960 -0.000 0.000 0.246 23 G HA3 0.547 4.507 3.960 -0.000 0.000 0.246 23 G C 0.318 175.265 174.900 0.078 0.000 1.219 23 G CA 0.450 45.606 45.100 0.093 0.000 0.866 23 G HN 1.681 nan 8.290 nan 0.000 0.572 24 G N -1.644 107.236 108.800 0.133 0.000 2.627 24 G HA2 0.380 4.340 3.960 -0.000 0.000 0.680 24 G HA3 0.380 4.340 3.960 -0.000 0.000 0.680 24 G C -1.231 173.779 174.900 0.185 0.000 1.341 24 G CA -0.547 44.632 45.100 0.133 0.000 0.835 24 G HN 1.237 nan 8.290 nan 0.000 0.643 25 F N 3.180 123.177 119.950 0.079 0.000 2.496 25 F HA 0.620 5.147 4.527 -0.000 0.000 0.341 25 F C 1.021 176.859 175.800 0.065 0.000 1.134 25 F CA 1.304 59.362 58.000 0.096 0.000 0.968 25 F CB 1.203 40.287 39.000 0.140 0.000 1.205 25 F HN 2.146 nan 8.300 nan 0.000 0.436 26 G N 5.015 113.625 108.800 -0.318 0.000 2.583 26 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.292 26 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.292 26 G C 0.389 175.295 174.900 0.009 0.000 1.203 26 G CA 0.278 45.285 45.100 -0.156 0.000 0.987 26 G HN 0.751 nan 8.290 nan 0.000 0.554 27 L N 1.653 122.921 121.223 0.075 0.000 2.700 27 L HA 0.534 4.874 4.340 -0.000 0.000 0.234 27 L C 1.490 178.448 176.870 0.147 0.000 1.156 27 L CA 0.505 55.431 54.840 0.142 0.000 0.946 27 L CB -0.159 41.989 42.059 0.149 0.000 1.216 27 L HN 0.730 nan 8.230 nan 0.000 0.493 28 A N 0.113 123.017 122.820 0.140 0.000 2.252 28 A HA 0.571 4.891 4.320 -0.000 0.000 0.309 28 A C 1.151 178.808 177.584 0.122 0.000 1.285 28 A CA 0.381 52.492 52.037 0.123 0.000 0.900 28 A CB 0.366 19.445 19.000 0.131 0.000 1.157 28 A HN 0.454 nan 8.150 nan 0.000 0.536 29 G N 1.979 110.833 108.800 0.089 0.000 2.182 29 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.248 29 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.248 29 G C 0.045 175.015 174.900 0.117 0.000 1.042 29 G CA 0.316 45.473 45.100 0.096 0.000 0.775 29 G HN 1.694 nan 8.290 nan 0.000 0.501 30 I N -1.686 118.956 120.570 0.120 0.000 2.396 30 I HA 0.595 4.765 4.170 -0.000 0.000 0.292 30 I C -1.847 174.333 176.117 0.105 0.000 0.999 30 I CA -3.030 58.325 61.300 0.091 0.000 1.310 30 I CB 1.737 39.770 38.000 0.055 0.000 1.404 30 I HN -0.065 nan 8.210 nan 0.000 0.496 31 P HA 0.095 nan 4.420 nan 0.000 0.237 31 P C 0.318 177.629 177.300 0.018 0.000 1.788 31 P CA -0.151 63.007 63.100 0.096 0.000 1.061 31 P CB 0.063 31.806 31.700 0.073 0.000 1.967 32 E N 1.437 121.645 120.200 0.014 0.000 2.204 32 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 32 E C 1.031 177.554 176.600 -0.128 0.000 0.990 32 E CA 0.878 57.191 56.400 -0.145 0.000 0.821 32 E CB -0.457 29.147 29.700 -0.161 0.000 0.750 32 E HN 0.280 nan 8.360 nan 0.000 0.477 33 N N 0.853 119.498 118.700 -0.092 0.000 2.290 33 N HA 0.002 4.741 4.740 -0.000 0.000 0.179 33 N C 2.065 177.534 175.510 -0.068 0.000 1.016 33 N CA 0.735 53.717 53.050 -0.112 0.000 0.871 33 N CB -0.009 38.384 38.487 -0.156 0.000 0.987 33 N HN 0.239 nan 8.380 nan 0.000 0.431 34 L N 1.013 122.214 121.223 -0.036 0.000 2.093 34 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 34 L C 2.082 178.918 176.870 -0.057 0.000 1.085 34 L CA 0.611 55.430 54.840 -0.034 0.000 0.755 34 L CB -0.255 41.802 42.059 -0.004 0.000 0.904 34 L HN 0.095 nan 8.230 nan 0.000 0.435 35 I N 0.235 120.762 120.570 -0.072 0.000 2.315 35 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 35 I C 2.653 178.714 176.117 -0.093 0.000 1.117 35 I CA 1.597 62.842 61.300 -0.093 0.000 1.404 35 I CB -1.855 36.062 38.000 -0.138 0.000 1.071 35 I HN 0.214 nan 8.210 nan 0.000 0.419 36 G N 0.590 109.332 108.800 -0.097 0.000 2.432 36 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 36 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 36 G C 1.830 176.693 174.900 -0.062 0.000 1.135 36 G CA 0.863 45.916 45.100 -0.079 0.000 0.767 36 G HN 0.483 nan 8.290 nan 0.000 0.550 37 A N 0.502 123.284 122.820 -0.062 0.000 1.969 37 A HA 0.190 4.510 4.320 -0.000 0.000 0.218 37 A C 2.357 179.902 177.584 -0.064 0.000 1.169 37 A CA 0.860 52.863 52.037 -0.057 0.000 0.635 37 A CB -0.266 18.699 19.000 -0.057 0.000 0.810 37 A HN 0.344 nan 8.150 nan 0.000 0.445 38 L N -0.634 120.545 121.223 -0.073 0.000 2.141 38 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 38 L C 2.399 179.232 176.870 -0.063 0.000 1.094 38 L CA 0.727 55.520 54.840 -0.079 0.000 0.763 38 L CB -0.572 41.438 42.059 -0.083 0.000 0.908 38 L HN 0.378 nan 8.230 nan 0.000 0.437 39 L N -0.151 121.038 121.223 -0.056 0.000 2.131 39 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 39 L C 2.535 179.383 176.870 -0.037 0.000 1.092 39 L CA 1.432 56.245 54.840 -0.044 0.000 0.759 39 L CB -0.292 41.742 42.059 -0.041 0.000 0.903 39 L HN 0.281 nan 8.230 nan 0.000 0.435 40 K N -0.779 119.598 120.400 -0.039 0.000 2.098 40 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 40 K C 2.145 178.725 176.600 -0.033 0.000 1.051 40 K CA 1.579 57.848 56.287 -0.031 0.000 0.957 40 K CB -0.196 32.288 32.500 -0.027 0.000 0.738 40 K HN 0.389 nan 8.250 nan 0.000 0.447 41 T N -1.650 112.878 114.554 -0.044 0.000 2.746 41 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 41 T C 1.662 176.336 174.700 -0.043 0.000 1.039 41 T CA 1.220 63.291 62.100 -0.047 0.000 1.142 41 T CB -0.565 68.260 68.868 -0.071 0.000 0.866 41 T HN 0.378 nan 8.240 nan 0.000 0.444 42 G N 0.600 109.372 108.800 -0.046 0.000 2.132 42 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.234 42 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.234 42 G C 0.167 175.041 174.900 -0.045 0.000 0.989 42 G CA 0.038 45.115 45.100 -0.039 0.000 0.676 42 G HN 0.995 nan 8.290 nan 0.000 0.522 43 V N 1.003 120.881 119.914 -0.060 0.000 2.763 43 V HA 0.558 4.678 4.120 -0.000 0.000 0.306 43 V C 0.735 176.797 176.094 -0.054 0.000 1.059 43 V CA 1.121 63.381 62.300 -0.066 0.000 1.138 43 V CB 0.733 32.496 31.823 -0.100 0.000 0.940 43 V HN 0.707 nan 8.190 nan 0.000 0.489 44 K N 3.587 123.960 120.400 -0.044 0.000 2.372 44 K HA 0.600 4.920 4.320 -0.000 0.000 0.251 44 K C -0.083 176.499 176.600 -0.030 0.000 1.055 44 K CA -0.767 55.499 56.287 -0.035 0.000 0.879 44 K CB 1.306 33.790 32.500 -0.028 0.000 1.384 44 K HN 0.497 nan 8.250 nan 0.000 0.465 45 E N 0.429 120.615 120.200 -0.025 0.000 2.586 45 E HA -0.189 4.161 4.350 -0.000 0.000 0.259 45 E C -0.741 175.848 176.600 -0.018 0.000 1.107 45 E CA 0.312 56.700 56.400 -0.019 0.000 0.754 45 E CB -1.323 28.369 29.700 -0.015 0.000 1.335 45 E HN 0.375 nan 8.360 nan 0.000 0.411 46 L N 0.300 121.509 121.223 -0.023 0.000 2.417 46 L HA 0.197 4.537 4.340 -0.000 0.000 0.268 46 L C 0.877 177.739 176.870 -0.014 0.000 1.158 46 L CA 0.208 55.036 54.840 -0.021 0.000 0.819 46 L CB 0.838 42.879 42.059 -0.031 0.000 1.112 46 L HN -0.103 nan 8.230 nan 0.000 0.458 47 T N 2.414 116.964 114.554 -0.006 0.000 2.801 47 T HA 0.493 4.843 4.350 -0.000 0.000 0.306 47 T C 0.030 174.728 174.700 -0.004 0.000 1.020 47 T CA -0.445 61.653 62.100 -0.004 0.000 0.948 47 T CB 0.987 69.856 68.868 0.002 0.000 0.962 47 T HN 0.650 nan 8.240 nan 0.000 0.465 48 A N 3.516 126.328 122.820 -0.012 0.000 2.274 48 A HA 0.636 4.956 4.320 -0.000 0.000 0.309 48 A C 0.023 177.590 177.584 -0.029 0.000 1.226 48 A CA -0.594 51.433 52.037 -0.018 0.000 0.853 48 A CB 0.534 19.520 19.000 -0.024 0.000 1.146 48 A HN 0.652 nan 8.150 nan 0.000 0.518 49 V N 2.924 122.820 119.914 -0.029 0.000 2.304 49 V HA 0.511 4.631 4.120 -0.000 0.000 0.269 49 V C 0.381 176.420 176.094 -0.092 0.000 1.036 49 V CA 0.027 62.297 62.300 -0.050 0.000 0.840 49 V CB 0.349 32.160 31.823 -0.019 0.000 1.036 49 V HN 0.851 nan 8.190 nan 0.000 0.466 50 S N 3.237 118.849 115.700 -0.147 0.000 2.548 50 S HA 0.353 4.823 4.470 -0.000 0.000 0.276 50 S C 0.828 175.235 174.600 -0.323 0.000 1.129 50 S CA -0.631 57.441 58.200 -0.213 0.000 0.931 50 S CB 1.655 64.770 63.200 -0.141 0.000 1.068 50 S HN 0.731 nan 8.310 nan 0.000 0.480 51 N N 4.152 122.528 118.700 -0.540 0.000 2.061 51 N HA -0.074 4.666 4.740 -0.000 0.000 0.193 51 N C 0.220 175.534 175.510 -0.327 0.000 1.030 51 N CA 1.959 54.662 53.050 -0.578 0.000 0.856 51 N CB -0.081 37.944 38.487 -0.770 0.000 1.023 51 N HN 0.718 nan 8.380 nan 0.000 0.424 52 N N -2.391 116.136 118.700 -0.288 0.000 2.966 52 N HA 0.589 5.329 4.740 -0.000 0.000 0.314 52 N C -1.078 174.303 175.510 -0.215 0.000 1.397 52 N CA -0.340 52.560 53.050 -0.250 0.000 0.776 52 N CB 1.430 39.778 38.487 -0.233 0.000 1.576 52 N HN 0.072 nan 8.380 nan 0.000 0.592 53 A N -0.032 122.649 122.820 -0.231 0.000 2.610 53 A HA 0.627 4.947 4.320 -0.000 0.000 0.286 53 A C 1.069 178.603 177.584 -0.083 0.000 1.306 53 A CA 0.261 52.209 52.037 -0.148 0.000 0.942 53 A CB -1.247 17.644 19.000 -0.181 0.000 1.112 53 A HN 0.911 nan 8.150 nan 0.000 0.527 54 G N -0.265 108.489 108.800 -0.077 0.000 2.611 54 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.301 54 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.301 54 G C 0.502 175.407 174.900 0.009 0.000 1.233 54 G CA 1.487 46.581 45.100 -0.010 0.000 0.993 54 G HN 1.990 nan 8.290 nan 0.000 0.553 55 V N -3.397 116.555 119.914 0.063 0.000 3.181 55 V HA 0.704 4.824 4.120 -0.000 0.000 0.308 55 V C 1.127 177.268 176.094 0.079 0.000 1.214 55 V CA 0.556 62.894 62.300 0.063 0.000 1.053 55 V CB 1.411 33.280 31.823 0.077 0.000 1.069 55 V HN 0.750 nan 8.190 nan 0.000 0.441 56 D N 2.214 122.654 120.400 0.067 0.000 2.204 56 D HA -0.238 4.402 4.640 -0.000 0.000 0.189 56 D C 0.878 177.224 176.300 0.078 0.000 1.006 56 D CA 2.900 56.941 54.000 0.067 0.000 0.855 56 D CB -0.081 40.752 40.800 0.054 0.000 0.946 56 D HN 0.970 nan 8.370 nan 0.000 0.448 57 N N -0.869 117.893 118.700 0.104 0.000 2.389 57 N HA 0.194 4.934 4.740 -0.000 0.000 0.260 57 N C -0.930 174.737 175.510 0.261 0.000 1.191 57 N CA -0.333 52.795 53.050 0.131 0.000 0.885 57 N CB 0.047 38.596 38.487 0.103 0.000 1.162 57 N HN 0.038 nan 8.380 nan 0.000 0.512 58 F N -0.643 119.311 119.950 0.007 0.000 2.672 58 F HA 0.583 5.110 4.527 -0.000 0.000 0.311 58 F C 0.728 176.532 175.800 0.006 0.000 1.113 58 F CA 0.373 58.379 58.000 0.009 0.000 0.996 58 F CB 1.203 40.209 39.000 0.011 0.000 1.286 58 F HN 0.321 nan 8.300 nan 0.000 0.441 59 G N 3.198 111.741 108.800 -0.428 0.000 2.512 59 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 59 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 59 G C 0.317 175.135 174.900 -0.136 0.000 1.199 59 G CA 0.024 44.977 45.100 -0.245 0.000 0.941 59 G HN 0.999 nan 8.290 nan 0.000 0.569 60 L N 2.473 123.650 121.223 -0.077 0.000 2.265 60 L HA 0.183 4.523 4.340 -0.000 0.000 0.215 60 L C 3.117 179.975 176.870 -0.019 0.000 1.117 60 L CA 2.885 57.695 54.840 -0.050 0.000 0.782 60 L CB -0.814 41.220 42.059 -0.042 0.000 0.914 60 L HN 0.957 nan 8.230 nan 0.000 0.441 61 G N -0.921 107.878 108.800 -0.002 0.000 2.450 61 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.220 61 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.220 61 G C 1.601 176.512 174.900 0.018 0.000 1.130 61 G CA 0.756 45.874 45.100 0.030 0.000 0.760 61 G HN 0.387 nan 8.290 nan 0.000 0.557 62 L N -0.298 120.921 121.223 -0.008 0.000 2.141 62 L HA 0.092 4.432 4.340 -0.000 0.000 0.209 62 L C 2.689 179.547 176.870 -0.020 0.000 1.094 62 L CA 0.381 55.213 54.840 -0.014 0.000 0.763 62 L CB -0.230 41.803 42.059 -0.042 0.000 0.908 62 L HN 0.187 nan 8.230 nan 0.000 0.437 63 L N -0.790 120.416 121.223 -0.029 0.000 2.395 63 L HA -0.128 4.212 4.340 -0.000 0.000 0.218 63 L C 2.273 179.134 176.870 -0.016 0.000 1.130 63 L CA 0.547 55.369 54.840 -0.029 0.000 0.826 63 L CB -0.138 41.899 42.059 -0.037 0.000 0.941 63 L HN 0.288 nan 8.230 nan 0.000 0.451 64 L N -1.124 120.098 121.223 -0.002 0.000 2.095 64 L HA -0.109 4.231 4.340 -0.000 0.000 0.204 64 L C 2.665 179.535 176.870 -0.001 0.000 1.080 64 L CA 0.656 55.498 54.840 0.004 0.000 0.759 64 L CB -0.363 41.717 42.059 0.034 0.000 0.914 64 L HN 0.263 nan 8.230 nan 0.000 0.439 65 Q N -0.026 119.778 119.800 0.005 0.000 2.170 65 Q HA -0.154 4.186 4.340 -0.000 0.000 0.203 65 Q C 2.183 178.180 176.000 -0.004 0.000 0.976 65 Q CA 1.809 57.614 55.803 0.004 0.000 0.858 65 Q CB -0.245 28.499 28.738 0.011 0.000 0.907 65 Q HN 0.561 nan 8.270 nan 0.000 0.433 66 S N -0.604 115.091 115.700 -0.009 0.000 2.577 66 S HA 0.144 4.614 4.470 -0.000 0.000 0.219 66 S C 0.206 174.796 174.600 -0.017 0.000 0.962 66 S CA -0.316 57.876 58.200 -0.014 0.000 0.921 66 S CB 0.056 63.245 63.200 -0.018 0.000 0.789 66 S HN 0.226 nan 8.310 nan 0.000 0.497 67 K N 0.783 121.173 120.400 -0.017 0.000 3.156 67 K HA -0.223 4.097 4.320 -0.000 0.000 0.266 67 K C 0.340 176.927 176.600 -0.023 0.000 0.966 67 K CA 0.784 57.059 56.287 -0.021 0.000 0.719 67 K CB -1.628 30.860 32.500 -0.019 0.000 1.333 67 K HN 0.598 nan 8.250 nan 0.000 0.468 68 Q N -0.286 119.499 119.800 -0.025 0.000 2.282 68 Q HA 0.215 4.555 4.340 -0.000 0.000 0.206 68 Q C 0.125 176.107 176.000 -0.029 0.000 0.878 68 Q CA 0.257 56.042 55.803 -0.029 0.000 0.944 68 Q CB 0.518 29.235 28.738 -0.035 0.000 1.100 68 Q HN 0.429 nan 8.270 nan 0.000 0.509 69 I N 0.937 121.491 120.570 -0.026 0.000 2.406 69 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 69 I C 0.732 176.834 176.117 -0.025 0.000 0.999 69 I CA -0.331 60.955 61.300 -0.024 0.000 1.124 69 I CB 1.693 39.683 38.000 -0.018 0.000 1.289 69 I HN -0.001 nan 8.210 nan 0.000 0.441 70 K N 5.997 126.384 120.400 -0.022 0.000 2.276 70 K HA 0.243 4.563 4.320 -0.000 0.000 0.198 70 K C 0.802 177.389 176.600 -0.022 0.000 1.052 70 K CA 0.112 56.386 56.287 -0.021 0.000 0.984 70 K CB 0.662 33.153 32.500 -0.015 0.000 0.836 70 K HN 0.532 nan 8.250 nan 0.000 0.490 71 R N 0.341 120.830 120.500 -0.018 0.000 2.673 71 R HA 0.350 4.690 4.340 -0.000 0.000 0.281 71 R C -1.394 174.898 176.300 -0.014 0.000 0.991 71 R CA -0.732 55.358 56.100 -0.017 0.000 0.896 71 R CB 1.545 31.838 30.300 -0.011 0.000 1.201 71 R HN 0.051 nan 8.270 nan 0.000 0.457 72 M N 5.177 124.770 119.600 -0.011 0.000 2.393 72 M HA 0.438 4.918 4.480 -0.000 0.000 0.316 72 M C -0.810 175.475 176.300 -0.026 0.000 1.087 72 M CA -0.598 54.698 55.300 -0.006 0.000 0.937 72 M CB 1.915 34.547 32.600 0.053 0.000 1.668 72 M HN 0.559 nan 8.290 nan 0.000 0.438 73 I N 2.358 122.901 120.570 -0.044 0.000 2.437 73 I HA 0.374 4.544 4.170 -0.000 0.000 0.279 73 I C -0.471 175.588 176.117 -0.097 0.000 1.028 73 I CA -0.049 61.218 61.300 -0.055 0.000 1.142 73 I CB 1.095 39.071 38.000 -0.040 0.000 1.266 73 I HN 0.620 nan 8.210 nan 0.000 0.461 74 S N 1.913 117.546 115.700 -0.111 0.000 2.685 74 S HA 0.365 4.835 4.470 -0.000 0.000 0.282 74 S C 0.536 175.057 174.600 -0.131 0.000 1.159 74 S CA -0.589 57.515 58.200 -0.161 0.000 0.833 74 S CB 1.978 65.058 63.200 -0.199 0.000 1.151 74 S HN 0.634 nan 8.310 nan 0.000 0.485 75 S N -0.410 115.216 115.700 -0.124 0.000 2.499 75 S HA 0.257 4.727 4.470 -0.000 0.000 0.225 75 S C -0.182 174.438 174.600 0.033 0.000 1.050 75 S CA 0.061 58.230 58.200 -0.050 0.000 0.928 75 S CB -0.132 63.056 63.200 -0.019 0.000 0.803 75 S HN 0.727 nan 8.310 nan 0.000 0.506 76 Y N 1.704 121.905 120.300 -0.166 0.000 2.361 76 Y HA 0.520 5.070 4.550 -0.000 0.000 0.328 76 Y C -0.438 175.294 175.900 -0.280 0.000 1.044 76 Y CA -1.252 56.750 58.100 -0.162 0.000 1.085 76 Y CB 2.129 40.517 38.460 -0.120 0.000 1.194 76 Y HN 0.091 nan 8.280 nan 0.000 0.438 77 V N 3.345 122.685 119.914 -0.956 0.000 2.940 77 V HA 0.654 4.774 4.120 -0.000 0.000 0.366 77 V C 0.766 176.240 176.094 -1.034 0.000 1.353 77 V CA 0.309 61.955 62.300 -1.091 0.000 1.232 77 V CB -0.254 30.539 31.823 -1.717 0.000 1.278 77 V HN 0.871 nan 8.190 nan 0.000 0.546 78 G N -0.272 107.708 108.800 -1.368 0.000 2.553 78 G HA2 0.365 4.325 3.960 -0.000 0.000 0.278 78 G HA3 0.365 4.325 3.960 -0.000 0.000 0.278 78 G C 0.328 175.078 174.900 -0.250 0.000 1.349 78 G CA -0.050 44.640 45.100 -0.684 0.000 1.037 78 G HN 0.491 nan 8.290 nan 0.000 0.508 79 E N -0.922 119.249 120.200 -0.049 0.000 2.450 79 E HA -0.219 4.131 4.350 -0.000 0.000 0.244 79 E C -0.231 176.362 176.600 -0.011 0.000 1.226 79 E CA 0.689 57.091 56.400 0.004 0.000 0.720 79 E CB -0.657 29.069 29.700 0.043 0.000 1.254 79 E HN 0.393 nan 8.360 nan 0.000 0.399 80 N N -1.094 117.595 118.700 -0.019 0.000 2.581 80 N HA 0.320 5.060 4.740 -0.000 0.000 0.279 80 N C 0.217 175.787 175.510 0.100 0.000 1.124 80 N CA 0.636 53.707 53.050 0.034 0.000 0.833 80 N CB 1.327 39.824 38.487 0.017 0.000 1.338 80 N HN 0.031 nan 8.380 nan 0.000 0.533 81 A N 2.530 125.396 122.820 0.078 0.000 1.902 81 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 81 A C 1.781 179.418 177.584 0.088 0.000 1.181 81 A CA 1.628 53.711 52.037 0.076 0.000 0.623 81 A CB -0.304 18.724 19.000 0.047 0.000 0.818 81 A HN 0.683 nan 8.150 nan 0.000 0.443 82 E N -0.718 119.532 120.200 0.084 0.000 2.110 82 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 82 E C 1.579 178.225 176.600 0.078 0.000 0.988 82 E CA 1.453 57.892 56.400 0.065 0.000 0.804 82 E CB -0.478 29.255 29.700 0.056 0.000 0.745 82 E HN 0.579 nan 8.360 nan 0.000 0.458 83 F N 1.214 121.164 119.950 0.001 0.000 2.146 83 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 83 F C 2.149 177.988 175.800 0.065 0.000 1.096 83 F CA 1.987 59.989 58.000 0.003 0.000 1.275 83 F CB -0.326 38.646 39.000 -0.047 0.000 1.008 83 F HN 0.134 nan 8.300 nan 0.000 0.480 84 E N 0.435 120.817 120.200 0.304 0.000 2.051 84 E HA -0.276 4.074 4.350 -0.000 0.000 0.192 84 E C 2.566 179.193 176.600 0.046 0.000 0.991 84 E CA 1.228 57.767 56.400 0.232 0.000 0.799 84 E CB -0.382 29.430 29.700 0.188 0.000 0.748 84 E HN 0.436 nan 8.360 nan 0.000 0.449 85 R N 0.336 120.848 120.500 0.019 0.000 2.094 85 R HA -0.245 4.095 4.340 -0.000 0.000 0.239 85 R C 2.401 178.671 176.300 -0.049 0.000 1.137 85 R CA 2.327 58.415 56.100 -0.020 0.000 0.943 85 R CB -0.250 30.044 30.300 -0.011 0.000 0.850 85 R HN 0.313 nan 8.270 nan 0.000 0.433 86 Q N -0.987 118.768 119.800 -0.076 0.000 2.084 86 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 86 Q C 2.018 177.969 176.000 -0.081 0.000 0.978 86 Q CA 1.694 57.439 55.803 -0.096 0.000 0.844 86 Q CB -0.307 28.349 28.738 -0.136 0.000 0.898 86 Q HN 0.414 nan 8.270 nan 0.000 0.426 87 Y N 1.318 121.397 120.300 -0.368 0.000 2.181 87 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 87 Y C 1.732 177.608 175.900 -0.040 0.000 1.146 87 Y CA 1.219 59.139 58.100 -0.300 0.000 1.164 87 Y CB -0.285 37.863 38.460 -0.520 0.000 0.982 87 Y HN 0.023 nan 8.280 nan 0.000 0.515 88 L N -0.602 120.541 121.223 -0.134 0.000 2.291 88 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 88 L C 2.342 179.116 176.870 -0.160 0.000 1.120 88 L CA 0.869 55.536 54.840 -0.289 0.000 0.799 88 L CB -0.698 41.208 42.059 -0.256 0.000 0.925 88 L HN 0.238 nan 8.230 nan 0.000 0.446 89 A N -0.362 122.412 122.820 -0.076 0.000 2.251 89 A HA 0.339 4.659 4.320 -0.000 0.000 0.209 89 A C 1.769 179.346 177.584 -0.011 0.000 1.187 89 A CA 0.651 52.661 52.037 -0.046 0.000 0.823 89 A CB -0.276 18.700 19.000 -0.041 0.000 0.846 89 A HN 0.475 nan 8.150 nan 0.000 0.486 90 G N -0.540 108.274 108.800 0.023 0.000 2.148 90 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 90 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 90 G C 0.494 175.406 174.900 0.020 0.000 0.981 90 G CA 0.677 45.802 45.100 0.043 0.000 0.670 90 G HN 0.590 nan 8.290 nan 0.000 0.528 91 E N -1.314 118.888 120.200 0.003 0.000 2.447 91 E HA 0.342 4.692 4.350 -0.000 0.000 0.195 91 E C 0.614 177.199 176.600 -0.024 0.000 1.028 91 E CA 0.288 56.679 56.400 -0.014 0.000 0.876 91 E CB 0.406 30.090 29.700 -0.027 0.000 0.885 91 E HN 0.470 nan 8.360 nan 0.000 0.500 92 L N 0.768 121.980 121.223 -0.018 0.000 2.431 92 L HA 0.343 4.683 4.340 -0.000 0.000 0.266 92 L C -1.348 175.523 176.870 0.002 0.000 0.978 92 L CA -0.567 54.241 54.840 -0.052 0.000 0.822 92 L CB 2.103 44.055 42.059 -0.179 0.000 1.310 92 L HN -0.260 nan 8.230 nan 0.000 0.409 93 E N 3.152 123.341 120.200 -0.017 0.000 2.216 93 E HA 0.671 5.021 4.350 -0.000 0.000 0.279 93 E C -1.363 175.212 176.600 -0.041 0.000 0.997 93 E CA -0.656 55.747 56.400 0.005 0.000 0.817 93 E CB 2.108 31.808 29.700 -0.000 0.000 1.096 93 E HN 0.444 nan 8.360 nan 0.000 0.393 94 V N 2.737 122.627 119.914 -0.041 0.000 2.668 94 V HA 0.187 4.307 4.120 -0.000 0.000 0.304 94 V C -0.706 175.371 176.094 -0.028 0.000 1.071 94 V CA -0.822 61.422 62.300 -0.092 0.000 0.894 94 V CB 1.892 33.517 31.823 -0.330 0.000 1.008 94 V HN 0.675 nan 8.190 nan 0.000 0.425 95 E N 4.553 124.740 120.200 -0.022 0.000 2.070 95 E HA 0.414 4.764 4.350 -0.000 0.000 0.261 95 E C -0.834 175.757 176.600 -0.014 0.000 0.926 95 E CA -0.429 55.967 56.400 -0.006 0.000 0.760 95 E CB 1.307 31.000 29.700 -0.013 0.000 1.133 95 E HN 0.550 nan 8.360 nan 0.000 0.420 96 L N 3.394 124.628 121.223 0.018 0.000 2.530 96 L HA 0.108 4.448 4.340 -0.000 0.000 0.273 96 L C 0.080 176.927 176.870 -0.039 0.000 1.141 96 L CA 0.459 55.306 54.840 0.011 0.000 0.905 96 L CB -0.066 42.066 42.059 0.123 0.000 1.202 96 L HN 0.369 nan 8.230 nan 0.000 0.473 97 T N 4.002 118.514 114.554 -0.069 0.000 2.824 97 T HA 0.359 4.709 4.350 -0.000 0.000 0.282 97 T C -2.502 172.133 174.700 -0.109 0.000 0.993 97 T CA -1.665 60.386 62.100 -0.083 0.000 0.967 97 T CB 1.960 70.793 68.868 -0.058 0.000 0.960 97 T HN 0.205 nan 8.240 nan 0.000 0.441 98 P HA 0.075 nan 4.420 nan 0.000 0.263 98 P C 0.870 178.068 177.300 -0.170 0.000 1.195 98 P CA 0.110 63.118 63.100 -0.153 0.000 0.762 98 P CB 0.539 32.158 31.700 -0.135 0.000 0.799 99 Q N 3.566 123.251 119.800 -0.193 0.000 2.096 99 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 99 Q C 2.047 177.655 176.000 -0.653 0.000 0.993 99 Q CA 2.460 58.121 55.803 -0.237 0.000 0.862 99 Q CB -0.787 27.917 28.738 -0.057 0.000 0.915 99 Q HN 0.663 nan 8.270 nan 0.000 0.416 100 G N -1.240 106.774 108.800 -1.310 0.000 2.443 100 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 100 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 100 G C 1.248 175.971 174.900 -0.296 0.000 1.131 100 G CA 1.159 45.526 45.100 -1.221 0.000 0.775 100 G HN 0.358 nan 8.290 nan 0.000 0.547 101 T N 0.630 115.091 114.554 -0.155 0.000 2.937 101 T HA 0.003 4.353 4.350 -0.000 0.000 0.260 101 T C 2.197 176.941 174.700 0.074 0.000 1.051 101 T CA 0.659 62.788 62.100 0.049 0.000 1.141 101 T CB -0.090 68.798 68.868 0.034 0.000 0.879 101 T HN 0.128 nan 8.240 nan 0.000 0.459 102 L N 1.765 123.001 121.223 0.020 0.000 2.017 102 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 102 L C 2.562 179.548 176.870 0.193 0.000 1.073 102 L CA 1.952 56.849 54.840 0.096 0.000 0.745 102 L CB -1.013 41.091 42.059 0.076 0.000 0.894 102 L HN 0.212 nan 8.230 nan 0.000 0.432 103 A N -0.958 121.971 122.820 0.183 0.000 1.877 103 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 103 A C 2.268 179.854 177.584 0.003 0.000 1.186 103 A CA 1.698 53.775 52.037 0.067 0.000 0.620 103 A CB -0.738 18.169 19.000 -0.156 0.000 0.822 103 A HN 0.498 nan 8.150 nan 0.000 0.443 104 E N 0.028 120.223 120.200 -0.008 0.000 2.150 104 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 104 E C 2.156 178.746 176.600 -0.017 0.000 0.985 104 E CA 1.267 57.595 56.400 -0.120 0.000 0.814 104 E CB -0.206 29.345 29.700 -0.248 0.000 0.752 104 E HN 0.603 nan 8.360 nan 0.000 0.466 105 R N -0.302 120.333 120.500 0.226 0.000 2.075 105 R HA -0.000 4.340 4.340 -0.000 0.000 0.232 105 R C 2.462 178.846 176.300 0.140 0.000 1.126 105 R CA 1.431 57.707 56.100 0.294 0.000 0.963 105 R CB -0.324 30.102 30.300 0.210 0.000 0.858 105 R HN 0.258 nan 8.270 nan 0.000 0.435 106 I N 0.445 121.074 120.570 0.097 0.000 2.179 106 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 106 I C 2.806 178.933 176.117 0.016 0.000 1.088 106 I CA 1.044 62.382 61.300 0.065 0.000 1.357 106 I CB -0.304 37.753 38.000 0.096 0.000 1.051 106 I HN 0.137 nan 8.210 nan 0.000 0.409 107 R N 1.549 122.035 120.500 -0.022 0.000 2.096 107 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 107 R C 2.207 178.471 176.300 -0.059 0.000 1.127 107 R CA 1.798 57.855 56.100 -0.073 0.000 0.968 107 R CB -0.332 29.895 30.300 -0.121 0.000 0.861 107 R HN 0.374 nan 8.270 nan 0.000 0.440 108 A N 0.014 122.811 122.820 -0.039 0.000 1.930 108 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 108 A C 2.369 179.975 177.584 0.036 0.000 1.175 108 A CA 1.560 53.599 52.037 0.002 0.000 0.627 108 A CB -1.023 18.046 19.000 0.114 0.000 0.815 108 A HN 0.515 nan 8.150 nan 0.000 0.443 109 G N -0.640 108.187 108.800 0.045 0.000 2.450 109 G HA2 0.013 3.973 3.960 -0.000 0.000 0.220 109 G HA3 0.013 3.973 3.960 -0.000 0.000 0.220 109 G C 1.347 176.267 174.900 0.032 0.000 1.130 109 G CA 1.247 46.372 45.100 0.042 0.000 0.760 109 G HN 0.734 nan 8.290 nan 0.000 0.557 110 G N -0.195 108.614 108.800 0.015 0.000 2.744 110 G HA2 0.337 4.297 3.960 -0.000 0.000 0.211 110 G HA3 0.337 4.297 3.960 -0.000 0.000 0.211 110 G C 1.335 176.265 174.900 0.049 0.000 1.146 110 G CA 0.960 46.076 45.100 0.025 0.000 0.787 110 G HN 0.598 nan 8.290 nan 0.000 0.534 111 A N -0.136 122.700 122.820 0.026 0.000 2.460 111 A HA 0.524 4.844 4.320 -0.000 0.000 0.258 111 A C 1.806 179.409 177.584 0.033 0.000 1.300 111 A CA 0.932 52.988 52.037 0.031 0.000 0.913 111 A CB -0.445 18.554 19.000 -0.002 0.000 1.031 111 A HN 1.367 nan 8.150 nan 0.000 0.512 112 G N -1.294 107.530 108.800 0.039 0.000 2.148 112 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 112 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 112 G C 0.121 175.041 174.900 0.033 0.000 0.981 112 G CA 0.321 45.442 45.100 0.036 0.000 0.670 112 G HN 0.855 nan 8.290 nan 0.000 0.528 113 V N 2.071 122.007 119.914 0.037 0.000 2.350 113 V HA 0.354 4.474 4.120 -0.000 0.000 0.276 113 V C -0.058 176.077 176.094 0.069 0.000 1.028 113 V CA -0.696 61.633 62.300 0.050 0.000 0.860 113 V CB 1.664 33.517 31.823 0.051 0.000 0.990 113 V HN 0.164 nan 8.190 nan 0.000 0.453 114 P HA 0.091 nan 4.420 nan 0.000 0.220 114 P C 0.266 177.578 177.300 0.020 0.000 1.152 114 P CA 0.920 64.039 63.100 0.033 0.000 0.812 114 P CB 0.843 32.552 31.700 0.014 0.000 0.792 115 A N -1.001 121.832 122.820 0.022 0.000 2.610 115 A HA 0.685 5.004 4.320 -0.000 0.000 0.291 115 A C -1.501 176.075 177.584 -0.014 0.000 1.086 115 A CA -0.636 51.350 52.037 -0.084 0.000 0.677 115 A CB 0.651 19.530 19.000 -0.201 0.000 1.278 115 A HN 0.133 nan 8.150 nan 0.000 0.414 116 F N -2.186 117.628 119.950 -0.227 0.000 2.773 116 F HA 0.798 5.325 4.527 -0.000 0.000 0.314 116 F C -1.872 173.737 175.800 -0.319 0.000 1.160 116 F CA -1.346 56.519 58.000 -0.226 0.000 0.920 116 F CB 0.709 39.644 39.000 -0.107 0.000 1.323 116 F HN 0.492 nan 8.300 nan 0.000 0.457 117 Y N 0.267 120.611 120.300 0.072 0.000 2.387 117 Y HA 0.670 5.220 4.550 -0.000 0.000 0.336 117 Y C 0.362 176.394 175.900 0.221 0.000 1.067 117 Y CA -0.604 57.526 58.100 0.050 0.000 1.114 117 Y CB 2.063 40.527 38.460 0.008 0.000 1.208 117 Y HN 0.887 nan 8.280 nan 0.000 0.458 118 T N -0.201 114.631 114.554 0.463 0.000 2.900 118 T HA 0.287 4.637 4.350 -0.000 0.000 0.303 118 T C 0.478 175.513 174.700 0.558 0.000 1.142 118 T CA -0.239 62.176 62.100 0.525 0.000 1.007 118 T CB 0.931 70.053 68.868 0.424 0.000 1.156 118 T HN 0.655 nan 8.240 nan 0.000 0.490 119 S N 1.577 117.575 115.700 0.497 0.000 2.528 119 S HA 0.119 4.589 4.470 -0.000 0.000 0.219 119 S C 0.864 175.560 174.600 0.160 0.000 0.985 119 S CA -0.019 58.256 58.200 0.125 0.000 0.914 119 S CB -0.387 62.697 63.200 -0.193 0.000 0.776 119 S HN 0.736 nan 8.310 nan 0.000 0.526 120 T N 2.751 117.415 114.554 0.184 0.000 2.829 120 T HA 0.455 4.805 4.350 -0.000 0.000 0.293 120 T C 1.308 176.065 174.700 0.096 0.000 0.970 120 T CA 0.881 63.056 62.100 0.126 0.000 1.168 120 T CB 0.296 69.231 68.868 0.111 0.000 0.911 120 T HN 0.878 nan 8.240 nan 0.000 0.535 121 G N 2.745 111.579 108.800 0.057 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 0.003 174.930 174.900 0.044 0.000 0.982 121 G CA -0.036 45.071 45.100 0.011 0.000 0.641 121 G HN 0.835 nan 8.290 nan 0.000 0.527 122 Y N 1.149 121.454 120.300 0.009 0.000 2.511 122 Y HA 0.372 4.922 4.550 -0.000 0.000 0.332 122 Y C 1.491 177.389 175.900 -0.004 0.000 1.177 122 Y CA 1.007 59.110 58.100 0.006 0.000 1.422 122 Y CB 0.852 39.305 38.460 -0.012 0.000 1.271 122 Y HN 1.401 nan 8.280 nan 0.000 0.550 123 G N 3.158 111.360 108.800 -0.996 0.000 2.159 123 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.256 123 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.256 123 G C 0.195 174.945 174.900 -0.250 0.000 0.977 123 G CA 0.637 45.324 45.100 -0.688 0.000 0.652 123 G HN 1.191 nan 8.290 nan 0.000 0.531 124 T N -2.882 111.585 114.554 -0.145 0.000 2.804 124 T HA 0.710 5.060 4.350 -0.000 0.000 0.272 124 T C 1.612 176.331 174.700 0.032 0.000 0.986 124 T CA -0.160 61.944 62.100 0.006 0.000 0.999 124 T CB 1.133 70.026 68.868 0.042 0.000 1.307 124 T HN 0.244 nan 8.240 nan 0.000 0.586 125 L N 0.616 121.925 121.223 0.142 0.000 2.191 125 L HA -0.037 4.303 4.340 -0.000 0.000 0.212 125 L C 2.813 179.729 176.870 0.078 0.000 1.103 125 L CA 0.615 55.536 54.840 0.135 0.000 0.769 125 L CB -0.721 41.492 42.059 0.257 0.000 0.908 125 L HN 0.525 nan 8.230 nan 0.000 0.438 126 V N -0.296 119.642 119.914 0.040 0.000 2.343 126 V HA -0.296 3.823 4.120 -0.000 0.000 0.247 126 V C 2.493 178.593 176.094 0.011 0.000 1.051 126 V CA 1.936 64.237 62.300 0.003 0.000 1.036 126 V CB -0.485 31.311 31.823 -0.045 0.000 0.654 126 V HN 0.548 nan 8.190 nan 0.000 0.451 127 Q N 0.162 119.965 119.800 0.005 0.000 2.061 127 Q HA -0.162 4.178 4.340 -0.000 0.000 0.195 127 Q C 2.202 178.207 176.000 0.007 0.000 0.967 127 Q CA 1.663 57.475 55.803 0.016 0.000 0.829 127 Q CB -0.037 28.696 28.738 -0.008 0.000 0.900 127 Q HN 0.737 nan 8.270 nan 0.000 0.450 128 E N -0.053 120.138 120.200 -0.015 0.000 2.153 128 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 128 E C 0.783 177.389 176.600 0.011 0.000 0.988 128 E CA 0.530 56.925 56.400 -0.008 0.000 0.811 128 E CB -0.073 29.616 29.700 -0.018 0.000 0.746 128 E HN 0.534 nan 8.360 nan 0.000 0.466 129 G N -1.192 107.622 108.800 0.023 0.000 2.712 129 G HA2 0.037 3.997 3.960 -0.000 0.000 0.683 129 G HA3 0.037 3.997 3.960 -0.000 0.000 0.683 129 G C 0.541 175.461 174.900 0.033 0.000 1.320 129 G CA -0.495 44.621 45.100 0.026 0.000 0.847 129 G HN 0.683 nan 8.290 nan 0.000 0.553 130 G N -1.781 107.036 108.800 0.027 0.000 2.176 130 G HA2 0.091 4.051 3.960 -0.000 0.000 0.232 130 G HA3 0.091 4.051 3.960 -0.000 0.000 0.232 130 G C 0.823 175.747 174.900 0.040 0.000 0.986 130 G CA 1.419 46.533 45.100 0.024 0.000 0.643 130 G HN 2.256 nan 8.290 nan 0.000 0.522 131 S N 2.755 118.496 115.700 0.069 0.000 2.516 131 S HA 0.487 4.957 4.470 -0.000 0.000 0.282 131 S C -1.687 172.943 174.600 0.051 0.000 1.286 131 S CA -0.501 57.769 58.200 0.115 0.000 1.066 131 S CB 0.844 64.136 63.200 0.153 0.000 0.884 131 S HN 0.314 nan 8.310 nan 0.000 0.491 132 P HA 0.108 nan 4.420 nan 0.000 0.269 132 P C 0.332 177.620 177.300 -0.020 0.000 1.263 132 P CA 0.133 63.143 63.100 -0.150 0.000 0.813 132 P CB 0.285 31.767 31.700 -0.364 0.000 0.868 133 I N 2.426 122.970 120.570 -0.043 0.000 2.628 133 I HA 0.066 4.236 4.170 -0.000 0.000 0.255 133 I C 1.348 177.508 176.117 0.072 0.000 1.119 133 I CA 0.968 62.292 61.300 0.039 0.000 1.448 133 I CB 0.108 38.112 38.000 0.006 0.000 1.133 133 I HN 0.287 nan 8.210 nan 0.000 0.438 134 K N 0.029 120.389 120.400 -0.066 0.000 2.468 134 K HA 0.375 4.695 4.320 -0.000 0.000 0.252 134 K C -1.739 174.732 176.600 -0.214 0.000 0.932 134 K CA -0.558 55.701 56.287 -0.047 0.000 0.794 134 K CB 1.919 34.415 32.500 -0.007 0.000 1.241 134 K HN -0.239 nan 8.250 nan 0.000 0.428 135 Y N 1.236 121.509 120.300 -0.047 0.000 2.419 135 Y HA 0.347 4.897 4.550 -0.000 0.000 0.328 135 Y C 0.569 176.426 175.900 -0.072 0.000 1.162 135 Y CA -0.542 57.495 58.100 -0.106 0.000 1.174 135 Y CB 1.448 39.774 38.460 -0.223 0.000 1.228 135 Y HN 0.559 nan 8.280 nan 0.000 0.473 136 N N 0.938 119.722 118.700 0.140 0.000 2.482 136 N HA 0.207 4.947 4.740 -0.000 0.000 0.279 136 N C 0.413 175.945 175.510 0.038 0.000 1.182 136 N CA -0.431 52.655 53.050 0.059 0.000 0.969 136 N CB 1.318 39.828 38.487 0.037 0.000 1.201 136 N HN 0.573 nan 8.380 nan 0.000 0.523 137 K N -0.041 120.362 120.400 0.005 0.000 2.362 137 K HA -0.098 4.221 4.320 -0.000 0.000 0.200 137 K C 0.595 177.176 176.600 -0.031 0.000 1.046 137 K CA 0.899 57.173 56.287 -0.022 0.000 0.952 137 K CB 0.100 32.588 32.500 -0.021 0.000 0.753 137 K HN 0.532 nan 8.250 nan 0.000 0.466 138 D N -0.485 119.905 120.400 -0.016 0.000 2.340 138 D HA -0.005 4.634 4.640 -0.000 0.000 0.220 138 D C 1.118 177.402 176.300 -0.027 0.000 1.039 138 D CA 0.802 54.789 54.000 -0.021 0.000 0.866 138 D CB 0.277 41.071 40.800 -0.010 0.000 0.913 138 D HN 0.252 nan 8.370 nan 0.000 0.523 139 G N 0.418 109.200 108.800 -0.030 0.000 2.195 139 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.246 139 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.246 139 G C 0.447 175.390 174.900 0.071 0.000 0.984 139 G CA 0.454 45.523 45.100 -0.052 0.000 0.633 139 G HN 0.787 nan 8.290 nan 0.000 0.525 140 S N -0.195 115.555 115.700 0.082 0.000 2.645 140 S HA 0.716 5.185 4.470 -0.000 0.000 0.266 140 S C 0.441 175.120 174.600 0.132 0.000 1.258 140 S CA -0.659 57.596 58.200 0.092 0.000 0.990 140 S CB 1.472 64.695 63.200 0.037 0.000 0.967 140 S HN 0.574 nan 8.310 nan 0.000 0.556 141 I N 1.675 122.267 120.570 0.037 0.000 2.371 141 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 141 I C 1.147 177.225 176.117 -0.064 0.000 1.028 141 I CA -0.515 60.730 61.300 -0.092 0.000 1.345 141 I CB 1.226 39.147 38.000 -0.131 0.000 1.407 141 I HN 0.921 nan 8.210 nan 0.000 0.501 142 A N 7.550 130.323 122.820 -0.078 0.000 1.943 142 A HA 0.338 4.658 4.320 -0.000 0.000 0.213 142 A C 0.883 178.439 177.584 -0.047 0.000 1.181 142 A CA 0.848 52.860 52.037 -0.041 0.000 0.653 142 A CB 0.184 19.171 19.000 -0.022 0.000 0.833 142 A HN 0.627 nan 8.150 nan 0.000 0.451 143 I N -0.103 120.424 120.570 -0.072 0.000 2.468 143 I HA 0.531 4.701 4.170 -0.000 0.000 0.285 143 I C -0.255 175.823 176.117 -0.066 0.000 1.039 143 I CA -0.569 60.700 61.300 -0.051 0.000 1.074 143 I CB 1.953 39.934 38.000 -0.032 0.000 1.228 143 I HN 0.184 nan 8.210 nan 0.000 0.436 144 A N 4.260 127.053 122.820 -0.044 0.000 2.320 144 A HA 0.761 5.081 4.320 -0.000 0.000 0.334 144 A C 0.154 177.731 177.584 -0.011 0.000 1.147 144 A CA -0.529 51.487 52.037 -0.034 0.000 0.820 144 A CB 1.171 20.155 19.000 -0.027 0.000 1.218 144 A HN 0.742 nan 8.150 nan 0.000 0.482 145 S N 1.832 117.534 115.700 0.004 0.000 2.576 145 S HA 0.365 4.835 4.470 -0.000 0.000 0.276 145 S C -0.105 174.502 174.600 0.010 0.000 1.339 145 S CA -0.521 57.686 58.200 0.012 0.000 1.039 145 S CB 0.490 63.706 63.200 0.027 0.000 0.902 145 S HN 0.545 nan 8.310 nan 0.000 0.516 146 K N 2.283 122.687 120.400 0.007 0.000 2.118 146 K HA 0.467 4.787 4.320 -0.000 0.000 0.264 146 K C -2.326 174.280 176.600 0.011 0.000 1.000 146 K CA -2.283 54.008 56.287 0.007 0.000 0.929 146 K CB 0.249 32.751 32.500 0.004 0.000 1.021 146 K HN 0.543 nan 8.250 nan 0.000 0.463 147 P HA 0.136 nan 4.420 nan 0.000 0.272 147 P C -0.304 177.010 177.300 0.024 0.000 1.223 147 P CA -0.193 62.919 63.100 0.020 0.000 0.784 147 P CB 0.762 32.475 31.700 0.021 0.000 0.923 148 R N 1.118 121.640 120.500 0.036 0.000 2.596 148 R HA 0.341 4.681 4.340 -0.000 0.000 0.267 148 R C 0.437 176.783 176.300 0.078 0.000 1.026 148 R CA -0.785 55.341 56.100 0.044 0.000 1.087 148 R CB 0.688 31.017 30.300 0.049 0.000 1.132 148 R HN 0.538 nan 8.270 nan 0.000 0.531 149 E N 0.814 121.069 120.200 0.091 0.000 2.313 149 E HA 0.210 4.560 4.350 -0.000 0.000 0.276 149 E C -0.480 176.248 176.600 0.213 0.000 1.031 149 E CA -0.391 56.090 56.400 0.136 0.000 0.857 149 E CB 1.435 31.221 29.700 0.142 0.000 1.040 149 E HN 0.090 nan 8.360 nan 0.000 0.408 150 V N 3.609 123.643 119.914 0.199 0.000 2.532 150 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 150 V C 0.039 176.228 176.094 0.158 0.000 1.041 150 V CA -0.509 61.933 62.300 0.237 0.000 0.926 150 V CB 1.566 33.546 31.823 0.260 0.000 0.992 150 V HN 0.633 nan 8.190 nan 0.000 0.457 151 R N 2.482 123.044 120.500 0.103 0.000 2.604 151 R HA 0.394 4.734 4.340 -0.000 0.000 0.270 151 R C -1.287 174.843 176.300 -0.282 0.000 1.052 151 R CA -0.568 55.425 56.100 -0.178 0.000 0.902 151 R CB 1.970 32.031 30.300 -0.399 0.000 1.233 151 R HN 0.820 nan 8.270 nan 0.000 0.455 152 E N 4.127 124.019 120.200 -0.513 0.000 2.191 152 E HA 0.305 4.655 4.350 -0.000 0.000 0.278 152 E C -1.544 174.682 176.600 -0.623 0.000 0.972 152 E CA -0.458 55.641 56.400 -0.502 0.000 0.804 152 E CB 0.910 30.231 29.700 -0.632 0.000 1.110 152 E HN 0.386 nan 8.360 nan 0.000 0.394 153 F N 2.816 122.791 119.950 0.041 0.000 2.539 153 F HA 0.290 4.817 4.527 -0.000 0.000 0.328 153 F C 0.165 175.999 175.800 0.058 0.000 1.148 153 F CA -0.722 57.260 58.000 -0.030 0.000 0.940 153 F CB 1.112 39.967 39.000 -0.241 0.000 1.194 153 F HN 0.620 nan 8.300 nan 0.000 0.438 154 N N 2.068 120.838 118.700 0.117 0.000 2.727 154 N HA -0.195 4.545 4.740 -0.000 0.000 0.251 154 N C 0.968 176.507 175.510 0.047 0.000 1.040 154 N CA 0.361 53.457 53.050 0.076 0.000 0.712 154 N CB -0.890 37.657 38.487 0.101 0.000 0.912 154 N HN 1.200 nan 8.380 nan 0.000 0.545 155 G N -0.692 108.093 108.800 -0.025 0.000 2.234 155 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.260 155 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.260 155 G C -0.089 174.751 174.900 -0.100 0.000 0.987 155 G CA 0.886 45.951 45.100 -0.057 0.000 0.625 155 G HN 0.675 nan 8.290 nan 0.000 0.532 156 Q N -0.038 119.708 119.800 -0.090 0.000 2.348 156 Q HA 0.638 4.978 4.340 -0.000 0.000 0.271 156 Q C -0.782 174.922 176.000 -0.493 0.000 1.067 156 Q CA -0.889 54.768 55.803 -0.244 0.000 0.839 156 Q CB 1.077 29.664 28.738 -0.251 0.000 1.354 156 Q HN 0.509 nan 8.270 nan 0.000 0.447 157 H N 1.349 120.006 119.070 -0.687 0.000 2.473 157 H HA 0.468 5.024 4.556 -0.000 0.000 0.327 157 H C -1.226 173.594 175.328 -0.846 0.000 1.105 157 H CA 0.140 55.757 56.048 -0.718 0.000 1.280 157 H CB 0.679 29.742 29.762 -1.165 0.000 1.450 157 H HN 0.378 nan 8.280 nan 0.000 0.492 158 F N 1.653 121.610 119.950 0.013 0.000 2.603 158 F HA 0.447 4.974 4.527 -0.000 0.000 0.317 158 F C -0.014 175.962 175.800 0.293 0.000 1.066 158 F CA -1.199 56.913 58.000 0.186 0.000 0.941 158 F CB 1.425 40.602 39.000 0.295 0.000 1.291 158 F HN 0.367 nan 8.300 nan 0.000 0.472 159 I N 0.440 121.309 120.570 0.497 0.000 2.750 159 I HA 0.691 4.861 4.170 -0.000 0.000 0.308 159 I C -1.396 174.882 176.117 0.270 0.000 1.016 159 I CA -1.222 60.300 61.300 0.371 0.000 1.098 159 I CB 2.034 40.171 38.000 0.228 0.000 1.279 159 I HN 0.461 nan 8.210 nan 0.000 0.454 160 L N 3.827 125.101 121.223 0.084 0.000 2.276 160 L HA 0.458 4.798 4.340 -0.000 0.000 0.286 160 L C -0.434 176.245 176.870 -0.319 0.000 1.061 160 L CA 0.473 55.126 54.840 -0.312 0.000 0.807 160 L CB 0.506 42.392 42.059 -0.288 0.000 1.177 160 L HN 0.561 nan 8.230 nan 0.000 0.429 161 E N 4.445 124.298 120.200 -0.578 0.000 2.199 161 E HA 0.358 4.708 4.350 -0.000 0.000 0.269 161 E C -0.974 175.321 176.600 -0.509 0.000 0.899 161 E CA -0.533 55.555 56.400 -0.519 0.000 0.772 161 E CB 1.780 31.097 29.700 -0.639 0.000 1.155 161 E HN 0.607 nan 8.360 nan 0.000 0.408 162 E N 0.774 120.825 120.200 -0.248 0.000 2.283 162 E HA 0.500 4.849 4.350 -0.000 0.000 0.271 162 E C -0.286 176.292 176.600 -0.037 0.000 1.031 162 E CA -0.741 55.576 56.400 -0.139 0.000 0.868 162 E CB 1.409 31.060 29.700 -0.081 0.000 1.094 162 E HN 0.522 nan 8.360 nan 0.000 0.401 163 A N 2.701 125.540 122.820 0.031 0.000 2.507 163 A HA 0.164 4.484 4.320 -0.000 0.000 0.235 163 A C -0.077 177.541 177.584 0.057 0.000 1.070 163 A CA 0.202 52.293 52.037 0.091 0.000 0.768 163 A CB 0.078 19.128 19.000 0.084 0.000 1.011 163 A HN 0.556 nan 8.150 nan 0.000 0.502 164 I N 1.180 121.791 120.570 0.068 0.000 2.378 164 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 164 I C 0.348 176.492 176.117 0.045 0.000 0.992 164 I CA -0.210 61.120 61.300 0.049 0.000 1.154 164 I CB 1.490 39.521 38.000 0.053 0.000 1.315 164 I HN 0.787 nan 8.210 nan 0.000 0.448 165 R N 4.032 124.555 120.500 0.037 0.000 2.564 165 R HA 0.654 4.994 4.340 -0.000 0.000 0.284 165 R C -0.880 175.443 176.300 0.038 0.000 1.031 165 R CA -0.508 55.614 56.100 0.036 0.000 0.904 165 R CB 2.064 32.385 30.300 0.035 0.000 1.199 165 R HN 0.761 nan 8.270 nan 0.000 0.443 166 G N 0.836 109.660 108.800 0.040 0.000 2.489 166 G HA2 0.182 4.141 3.960 -0.000 0.000 0.327 166 G HA3 0.182 4.141 3.960 -0.000 0.000 0.327 166 G C -0.158 174.778 174.900 0.060 0.000 1.189 166 G CA -0.500 44.634 45.100 0.057 0.000 0.962 166 G HN 0.685 nan 8.290 nan 0.000 0.486 167 D N -0.623 119.845 120.400 0.114 0.000 2.123 167 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 167 D C -0.073 176.256 176.300 0.047 0.000 0.976 167 D CA 1.345 55.425 54.000 0.133 0.000 0.831 167 D CB 0.168 41.136 40.800 0.280 0.000 0.974 167 D HN 0.159 nan 8.370 nan 0.000 0.469 168 F N -0.475 119.484 119.950 0.015 0.000 2.603 168 F HA 0.569 5.096 4.527 0.000 0.000 0.317 168 F C -0.374 175.423 175.800 -0.004 0.000 1.066 168 F CA -1.222 56.781 58.000 0.006 0.000 0.941 168 F CB 2.033 41.031 39.000 -0.003 0.000 1.291 168 F HN -0.281 nan 8.300 nan 0.000 0.472 169 A N 2.565 125.476 122.820 0.153 0.000 2.381 169 A HA 0.790 5.110 4.320 -0.000 0.000 0.299 169 A C -1.758 175.884 177.584 0.096 0.000 1.049 169 A CA -0.572 51.516 52.037 0.086 0.000 0.715 169 A CB 0.946 19.957 19.000 0.018 0.000 1.222 169 A HN 0.698 nan 8.150 nan 0.000 0.428 170 L N 3.330 124.603 121.223 0.084 0.000 2.277 170 L HA 0.563 4.903 4.340 -0.000 0.000 0.284 170 L C -0.793 176.122 176.870 0.075 0.000 1.028 170 L CA -0.772 54.111 54.840 0.071 0.000 0.835 170 L CB 1.185 43.272 42.059 0.046 0.000 1.215 170 L HN 0.415 nan 8.230 nan 0.000 0.425 171 V N 2.663 122.630 119.914 0.089 0.000 2.628 171 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 171 V C -0.155 176.032 176.094 0.155 0.000 1.045 171 V CA -0.823 61.556 62.300 0.131 0.000 0.905 171 V CB 2.379 34.295 31.823 0.155 0.000 0.997 171 V HN 0.583 nan 8.190 nan 0.000 0.436 172 K N 3.131 123.649 120.400 0.197 0.000 2.206 172 K HA 0.861 5.180 4.320 -0.000 0.000 0.264 172 K C -0.594 176.167 176.600 0.269 0.000 0.967 172 K CA 0.021 56.426 56.287 0.196 0.000 0.844 172 K CB 1.544 34.147 32.500 0.172 0.000 1.099 172 K HN 0.932 nan 8.250 nan 0.000 0.441 173 A N 3.109 126.019 122.820 0.149 0.000 2.524 173 A HA 0.537 4.857 4.320 -0.000 0.000 0.286 173 A C -0.682 176.946 177.584 0.074 0.000 1.203 173 A CA -0.752 51.300 52.037 0.025 0.000 0.736 173 A CB 0.201 19.018 19.000 -0.304 0.000 1.322 173 A HN 0.906 nan 8.150 nan 0.000 0.424 174 W N 0.537 121.723 121.300 -0.189 0.000 2.587 174 W HA 0.348 5.008 4.660 -0.000 0.000 0.307 174 W C 0.157 176.620 176.519 -0.093 0.000 1.138 174 W CA 1.084 58.351 57.345 -0.129 0.000 1.450 174 W CB -0.032 29.375 29.460 -0.089 0.000 1.149 174 W HN 0.568 nan 8.180 nan 0.000 0.512 175 K N -0.532 119.804 120.400 -0.107 0.000 2.444 175 K HA 0.682 5.002 4.320 -0.000 0.000 0.252 175 K C -1.318 175.271 176.600 -0.018 0.000 0.993 175 K CA -0.814 55.382 56.287 -0.153 0.000 0.847 175 K CB 2.186 34.529 32.500 -0.262 0.000 1.340 175 K HN -0.149 nan 8.250 nan 0.000 0.446 176 A N 1.332 124.206 122.820 0.089 0.000 2.520 176 A HA 0.466 4.786 4.320 -0.000 0.000 0.298 176 A C -1.656 176.029 177.584 0.169 0.000 1.051 176 A CA -0.863 51.259 52.037 0.142 0.000 0.690 176 A CB 1.085 20.096 19.000 0.019 0.000 1.281 176 A HN 0.787 nan 8.150 nan 0.000 0.402 177 D N 0.591 121.126 120.400 0.224 0.000 2.432 177 D HA 0.252 4.892 4.640 -0.000 0.000 0.258 177 D C 0.458 176.844 176.300 0.145 0.000 1.146 177 D CA -0.505 53.510 54.000 0.024 0.000 1.015 177 D CB 0.463 41.215 40.800 -0.079 0.000 1.107 177 D HN 0.492 nan 8.370 nan 0.000 0.529 178 Q N -0.641 119.218 119.800 0.097 0.000 2.557 178 Q HA 0.044 4.384 4.340 -0.000 0.000 0.217 178 Q C 1.064 177.200 176.000 0.227 0.000 0.978 178 Q CA 0.733 56.633 55.803 0.161 0.000 0.950 178 Q CB -0.069 28.665 28.738 -0.007 0.000 0.991 178 Q HN 0.587 nan 8.270 nan 0.000 0.533 179 A N -0.653 122.295 122.820 0.213 0.000 2.035 179 A HA 0.395 4.715 4.320 -0.000 0.000 0.208 179 A C 1.576 179.302 177.584 0.237 0.000 1.206 179 A CA 0.900 53.052 52.037 0.191 0.000 0.773 179 A CB 0.430 19.497 19.000 0.111 0.000 0.878 179 A HN 0.399 nan 8.150 nan 0.000 0.469 180 G N -0.997 107.924 108.800 0.203 0.000 2.318 180 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.172 180 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.172 180 G C -0.226 174.708 174.900 0.058 0.000 1.002 180 G CA -0.114 45.028 45.100 0.071 0.000 0.697 180 G HN 0.332 nan 8.290 nan 0.000 0.483 181 N N 0.623 119.392 118.700 0.116 0.000 2.458 181 N HA 0.417 5.157 4.740 -0.000 0.000 0.258 181 N C -0.113 175.418 175.510 0.036 0.000 1.219 181 N CA 0.541 53.648 53.050 0.095 0.000 0.902 181 N CB 1.954 40.548 38.487 0.179 0.000 1.076 181 N HN 0.184 nan 8.380 nan 0.000 0.455 182 V N 0.731 120.560 119.914 -0.143 0.000 2.914 182 V HA 0.560 4.680 4.120 -0.000 0.000 0.314 182 V C 0.183 175.922 176.094 -0.592 0.000 1.084 182 V CA -0.702 61.407 62.300 -0.319 0.000 0.963 182 V CB 2.217 33.867 31.823 -0.289 0.000 1.025 182 V HN 0.872 nan 8.190 nan 0.000 0.432 183 T N 0.021 114.146 114.554 -0.714 0.000 2.906 183 T HA 0.821 5.171 4.350 -0.000 0.000 0.295 183 T C -1.106 173.312 174.700 -0.470 0.000 1.075 183 T CA -0.543 61.144 62.100 -0.688 0.000 1.005 183 T CB 1.794 70.169 68.868 -0.821 0.000 1.136 183 T HN 0.171 nan 8.240 nan 0.000 0.498 184 F N 0.093 120.271 119.950 0.380 0.000 2.538 184 F HA 0.683 5.210 4.527 -0.000 0.000 0.325 184 F C 0.601 176.515 175.800 0.190 0.000 1.066 184 F CA -1.248 56.901 58.000 0.248 0.000 0.946 184 F CB 2.057 41.123 39.000 0.110 0.000 1.199 184 F HN 0.543 nan 8.300 nan 0.000 0.473 185 R N 2.809 123.375 120.500 0.111 0.000 2.265 185 R HA 0.406 4.746 4.340 -0.000 0.000 0.328 185 R C -0.095 175.943 176.300 -0.436 0.000 0.969 185 R CA -0.226 55.673 56.100 -0.335 0.000 0.832 185 R CB 0.497 30.208 30.300 -0.981 0.000 1.139 185 R HN 0.815 nan 8.270 nan 0.000 0.457 186 K N 0.691 120.716 120.400 -0.624 0.000 1.867 186 K HA -0.305 4.015 4.320 -0.000 0.000 0.140 186 K C 0.739 176.677 176.600 -1.104 0.000 1.408 186 K CA 1.842 57.307 56.287 -1.369 0.000 0.461 186 K CB -1.419 30.509 32.500 -0.953 0.000 0.594 186 K HN 0.747 nan 8.250 nan 0.000 0.888 187 S N 0.491 115.705 115.700 -0.811 0.000 2.603 187 S HA 0.190 4.659 4.470 -0.000 0.000 0.220 187 S C 1.487 175.928 174.600 -0.265 0.000 0.967 187 S CA 0.628 58.570 58.200 -0.431 0.000 0.920 187 S CB 0.304 63.343 63.200 -0.270 0.000 0.773 187 S HN 0.599 nan 8.310 nan 0.000 0.529 188 A N 1.462 124.140 122.820 -0.236 0.000 2.235 188 A HA 0.183 4.503 4.320 -0.000 0.000 0.208 188 A C 2.139 179.680 177.584 -0.072 0.000 1.172 188 A CA 0.465 52.445 52.037 -0.095 0.000 0.786 188 A CB -0.544 18.408 19.000 -0.080 0.000 0.804 188 A HN 0.586 nan 8.150 nan 0.000 0.479 189 R N 0.676 121.060 120.500 -0.194 0.000 2.055 189 R HA -0.170 4.170 4.340 -0.000 0.000 0.226 189 R C 1.771 177.820 176.300 -0.418 0.000 1.135 189 R CA 1.571 57.409 56.100 -0.437 0.000 0.959 189 R CB -0.444 29.601 30.300 -0.425 0.000 0.854 189 R HN 0.708 nan 8.270 nan 0.000 0.431 190 N N -0.335 118.196 118.700 -0.282 0.000 1.060 190 N HA -0.352 4.388 4.740 -0.000 0.000 0.145 190 N C 0.933 176.279 175.510 -0.274 0.000 0.398 190 N CA 2.736 55.659 53.050 -0.211 0.000 0.963 190 N CB -1.467 37.062 38.487 0.069 0.000 1.550 190 N HN 0.217 nan 8.380 nan 0.000 0.474 191 F N -0.043 119.864 119.950 -0.071 0.000 2.710 191 F HA 0.235 4.762 4.527 0.000 0.000 0.298 191 F C 2.191 177.913 175.800 -0.131 0.000 1.137 191 F CA 0.177 58.138 58.000 -0.066 0.000 1.444 191 F CB -0.356 38.648 39.000 0.006 0.000 1.111 191 F HN 0.253 nan 8.300 nan 0.000 0.580 192 N N 0.706 119.375 118.700 -0.051 0.000 2.137 192 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 192 N C 2.074 177.451 175.510 -0.222 0.000 1.017 192 N CA 1.277 54.264 53.050 -0.106 0.000 0.859 192 N CB -0.456 37.968 38.487 -0.104 0.000 1.002 192 N HN 0.351 nan 8.380 nan 0.000 0.428 193 L N 1.865 122.766 121.223 -0.535 0.000 2.007 193 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 193 L C -0.779 175.975 176.870 -0.193 0.000 1.073 193 L CA 1.312 55.927 54.840 -0.375 0.000 0.744 193 L CB -1.178 40.597 42.059 -0.474 0.000 0.898 193 L HN 0.076 nan 8.230 nan 0.000 0.435 194 P HA -0.198 nan 4.420 nan 0.000 0.218 194 P C 1.768 179.006 177.300 -0.103 0.000 1.149 194 P CA 1.760 64.768 63.100 -0.153 0.000 0.817 194 P CB -0.139 31.478 31.700 -0.139 0.000 0.785 195 M N -1.097 118.480 119.600 -0.038 0.000 2.358 195 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 195 M C 2.244 178.519 176.300 -0.041 0.000 1.064 195 M CA 1.183 56.483 55.300 -0.000 0.000 1.093 195 M CB -0.962 31.671 32.600 0.056 0.000 1.401 195 M HN 0.008 nan 8.290 nan 0.000 0.440 196 C N 1.000 120.259 119.300 -0.068 0.000 2.419 196 C HA -0.123 4.337 4.460 -0.000 0.000 0.283 196 C C 2.140 177.020 174.990 -0.182 0.000 1.373 196 C CA 1.090 60.056 59.018 -0.086 0.000 1.781 196 C CB -0.897 26.825 27.740 -0.030 0.000 1.886 196 C HN 0.485 nan 8.230 nan 0.000 0.520 197 K N -0.087 120.149 120.400 -0.274 0.000 2.358 197 K HA 0.301 4.620 4.320 -0.000 0.000 0.200 197 K C 1.138 177.704 176.600 -0.057 0.000 1.030 197 K CA 0.500 56.627 56.287 -0.268 0.000 1.097 197 K CB 0.282 32.426 32.500 -0.592 0.000 0.862 197 K HN 0.262 nan 8.250 nan 0.000 0.534 198 A N 1.139 123.928 122.820 -0.051 0.000 2.387 198 A HA 0.511 4.831 4.320 -0.000 0.000 0.234 198 A C 0.504 178.091 177.584 0.005 0.000 1.253 198 A CA -0.207 51.827 52.037 -0.006 0.000 0.894 198 A CB 0.233 19.233 19.000 -0.000 0.000 0.963 198 A HN 0.235 nan 8.150 nan 0.000 0.508 199 A N -0.716 122.094 122.820 -0.016 0.000 2.354 199 A HA 0.649 4.969 4.320 -0.000 0.000 0.321 199 A C 0.645 178.215 177.584 -0.024 0.000 1.125 199 A CA -0.417 51.603 52.037 -0.029 0.000 0.799 199 A CB 0.804 19.768 19.000 -0.059 0.000 1.293 199 A HN 0.059 nan 8.150 nan 0.000 0.452 200 E N 0.427 120.600 120.200 -0.044 0.000 2.106 200 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 200 E C -0.041 176.561 176.600 0.004 0.000 0.984 200 E CA 1.448 57.839 56.400 -0.014 0.000 0.806 200 E CB -0.076 29.588 29.700 -0.059 0.000 0.750 200 E HN 0.598 nan 8.360 nan 0.000 0.458 201 T N 1.560 115.959 114.554 -0.258 0.000 2.847 201 T HA 0.299 4.649 4.350 -0.000 0.000 0.291 201 T C -0.377 174.117 174.700 -0.343 0.000 0.998 201 T CA -0.648 61.279 62.100 -0.288 0.000 0.967 201 T CB 1.700 70.030 68.868 -0.897 0.000 0.954 201 T HN 0.023 nan 8.240 nan 0.000 0.441 202 T N 0.420 114.769 114.554 -0.342 0.000 2.767 202 T HA 0.685 5.035 4.350 -0.000 0.000 0.284 202 T C -0.231 174.409 174.700 -0.101 0.000 0.973 202 T CA -0.739 61.209 62.100 -0.253 0.000 0.996 202 T CB 0.957 69.605 68.868 -0.367 0.000 0.927 202 T HN 0.276 nan 8.240 nan 0.000 0.456 203 V N 3.947 123.856 119.914 -0.008 0.000 2.384 203 V HA 0.527 4.647 4.120 -0.000 0.000 0.287 203 V C -0.239 175.866 176.094 0.018 0.000 1.020 203 V CA -0.781 61.526 62.300 0.012 0.000 0.850 203 V CB 1.488 33.344 31.823 0.054 0.000 0.987 203 V HN 0.893 nan 8.190 nan 0.000 0.436 204 V N 5.049 124.965 119.914 0.004 0.000 2.495 204 V HA 0.509 4.629 4.120 -0.000 0.000 0.298 204 V C -0.117 175.997 176.094 0.034 0.000 1.031 204 V CA -0.665 61.650 62.300 0.026 0.000 0.871 204 V CB 1.952 33.776 31.823 0.003 0.000 0.988 204 V HN 1.040 nan 8.190 nan 0.000 0.432 205 E N 4.599 124.848 120.200 0.082 0.000 2.158 205 E HA 0.710 5.060 4.350 -0.000 0.000 0.271 205 E C -0.820 175.874 176.600 0.158 0.000 0.911 205 E CA -0.669 55.809 56.400 0.130 0.000 0.767 205 E CB 2.199 32.005 29.700 0.176 0.000 1.120 205 E HN 0.512 nan 8.360 nan 0.000 0.405 206 V N 0.513 120.514 119.914 0.146 0.000 3.166 206 V HA 0.412 4.532 4.120 -0.000 0.000 0.317 206 V C 0.481 176.684 176.094 0.182 0.000 1.136 206 V CA -0.639 61.726 62.300 0.109 0.000 1.035 206 V CB 1.643 33.489 31.823 0.039 0.000 1.110 206 V HN 0.847 nan 8.190 nan 0.000 0.450 207 E N -0.055 120.206 120.200 0.102 0.000 2.364 207 E HA 0.269 4.619 4.350 -0.000 0.000 0.196 207 E C -0.283 176.398 176.600 0.135 0.000 0.990 207 E CA 0.349 56.839 56.400 0.150 0.000 0.886 207 E CB 0.535 30.252 29.700 0.027 0.000 0.866 207 E HN 0.851 nan 8.360 nan 0.000 0.493 208 E N 0.496 120.726 120.200 0.049 0.000 2.390 208 E HA 0.454 4.804 4.350 -0.000 0.000 0.277 208 E C -1.146 175.449 176.600 -0.009 0.000 0.939 208 E CA -0.453 55.950 56.400 0.005 0.000 0.769 208 E CB 2.616 32.269 29.700 -0.079 0.000 1.251 208 E HN -0.076 nan 8.360 nan 0.000 0.450 209 I N 2.468 123.043 120.570 0.009 0.000 2.389 209 I HA 0.346 4.516 4.170 -0.000 0.000 0.288 209 I C -0.222 175.873 176.117 -0.036 0.000 0.999 209 I CA -1.001 60.316 61.300 0.027 0.000 1.129 209 I CB 1.504 39.566 38.000 0.104 0.000 1.288 209 I HN 0.305 nan 8.210 nan 0.000 0.444 210 V N 2.132 121.987 119.914 -0.099 0.000 3.096 210 V HA 0.585 4.705 4.120 -0.000 0.000 0.319 210 V C -0.272 175.713 176.094 -0.182 0.000 1.103 210 V CA -0.879 61.309 62.300 -0.188 0.000 1.016 210 V CB 1.760 33.373 31.823 -0.350 0.000 1.090 210 V HN 0.491 nan 8.190 nan 0.000 0.449 211 D N 1.472 121.759 120.400 -0.189 0.000 2.357 211 D HA 0.299 4.939 4.640 -0.000 0.000 0.242 211 D C 0.260 176.441 176.300 -0.198 0.000 1.153 211 D CA -0.135 53.774 54.000 -0.153 0.000 0.918 211 D CB 0.865 41.591 40.800 -0.125 0.000 1.181 211 D HN 0.409 nan 8.370 nan 0.000 0.435 212 I N 0.664 121.158 120.570 -0.127 0.000 2.710 212 I HA 0.108 4.278 4.170 -0.000 0.000 0.286 212 I C 1.760 177.799 176.117 -0.131 0.000 1.181 212 I CA 0.723 61.957 61.300 -0.110 0.000 1.430 212 I CB -0.252 37.717 38.000 -0.052 0.000 1.367 212 I HN 0.798 nan 8.210 nan 0.000 0.577 213 G N 4.157 112.871 108.800 -0.144 0.000 2.201 213 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.212 213 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.212 213 G C 1.021 175.814 174.900 -0.179 0.000 0.994 213 G CA 0.344 45.373 45.100 -0.118 0.000 0.644 213 G HN 0.518 nan 8.290 nan 0.000 0.508 214 S N -0.200 115.285 115.700 -0.358 0.000 2.406 214 S HA 0.319 4.789 4.470 -0.000 0.000 0.228 214 S C 0.635 175.013 174.600 -0.371 0.000 1.020 214 S CA 0.755 58.676 58.200 -0.465 0.000 0.965 214 S CB -0.102 62.636 63.200 -0.770 0.000 0.798 214 S HN 0.401 nan 8.310 nan 0.000 0.488 215 F N 1.023 120.930 119.950 -0.072 0.000 2.458 215 F HA 0.689 5.216 4.527 -0.000 0.000 0.330 215 F C 0.435 176.210 175.800 -0.041 0.000 1.082 215 F CA -2.247 55.710 58.000 -0.071 0.000 0.995 215 F CB 0.454 39.396 39.000 -0.096 0.000 1.170 215 F HN -0.107 nan 8.300 nan 0.000 0.478 216 A N 3.851 126.776 122.820 0.176 0.000 2.401 216 A HA 0.405 4.725 4.320 -0.000 0.000 0.259 216 A C -1.421 176.224 177.584 0.102 0.000 1.103 216 A CA -1.242 50.855 52.037 0.100 0.000 0.789 216 A CB -0.070 18.977 19.000 0.077 0.000 1.035 216 A HN 0.613 nan 8.150 nan 0.000 0.491 217 P HA -0.180 nan 4.420 nan 0.000 0.220 217 P C 0.441 177.776 177.300 0.058 0.000 1.144 217 P CA 1.409 64.550 63.100 0.067 0.000 0.800 217 P CB 0.296 32.026 31.700 0.049 0.000 0.772 218 E N -0.370 119.863 120.200 0.056 0.000 2.442 218 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 218 E C 0.637 177.278 176.600 0.067 0.000 1.030 218 E CA 0.557 56.990 56.400 0.055 0.000 0.869 218 E CB -0.247 29.482 29.700 0.048 0.000 0.857 218 E HN 0.308 nan 8.360 nan 0.000 0.505 219 D N 0.182 120.617 120.400 0.060 0.000 2.643 219 D HA 0.142 4.782 4.640 -0.000 0.000 0.244 219 D C -0.251 175.995 176.300 -0.091 0.000 1.257 219 D CA -0.029 54.005 54.000 0.055 0.000 0.831 219 D CB 0.394 41.233 40.800 0.066 0.000 1.043 219 D HN 0.166 nan 8.370 nan 0.000 0.488 220 I N 0.953 121.487 120.570 -0.060 0.000 2.301 220 I HA 0.092 4.262 4.170 -0.000 0.000 0.292 220 I C 1.473 177.589 176.117 -0.002 0.000 1.046 220 I CA -0.355 60.836 61.300 -0.182 0.000 1.282 220 I CB 0.830 38.795 38.000 -0.058 0.000 1.409 220 I HN -0.001 nan 8.210 nan 0.000 0.484 221 H N 6.036 125.066 119.070 -0.066 0.000 2.333 221 H HA 0.116 4.672 4.556 -0.000 0.000 0.302 221 H C 0.102 175.507 175.328 0.128 0.000 1.075 221 H CA 0.521 56.617 56.048 0.079 0.000 1.348 221 H CB 0.486 30.377 29.762 0.215 0.000 1.393 221 H HN 0.317 nan 8.280 nan 0.000 0.509 222 I N 1.731 122.406 120.570 0.174 0.000 2.448 222 I HA 0.236 4.405 4.170 -0.000 0.000 0.281 222 I C -2.527 173.684 176.117 0.157 0.000 1.027 222 I CA -2.870 58.550 61.300 0.200 0.000 1.111 222 I CB 1.554 39.673 38.000 0.199 0.000 1.236 222 I HN -0.170 nan 8.210 nan 0.000 0.452 223 P HA 0.130 nan 4.420 nan 0.000 0.271 223 P C 0.758 178.126 177.300 0.114 0.000 1.218 223 P CA -0.331 62.849 63.100 0.134 0.000 0.780 223 P CB 0.606 32.368 31.700 0.103 0.000 0.901 224 K N 2.930 123.369 120.400 0.066 0.000 2.228 224 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 224 K C 1.669 178.292 176.600 0.039 0.000 1.045 224 K CA 1.553 57.877 56.287 0.061 0.000 0.931 224 K CB -0.953 31.587 32.500 0.065 0.000 0.727 224 K HN 0.337 nan 8.250 nan 0.000 0.458 225 I N 0.464 120.997 120.570 -0.061 0.000 2.423 225 I HA -0.274 3.895 4.170 -0.000 0.000 0.254 225 I C 1.217 177.272 176.117 -0.103 0.000 1.151 225 I CA 1.275 62.483 61.300 -0.153 0.000 1.421 225 I CB 0.071 37.867 38.000 -0.339 0.000 1.079 225 I HN 0.140 nan 8.210 nan 0.000 0.431 226 Y N -0.203 120.157 120.300 0.100 0.000 2.510 226 Y HA 0.167 4.717 4.550 -0.000 0.000 0.273 226 Y C 0.907 176.781 175.900 -0.044 0.000 1.119 226 Y CA -0.061 58.069 58.100 0.050 0.000 1.286 226 Y CB -0.173 38.297 38.460 0.017 0.000 1.061 226 Y HN -0.182 nan 8.280 nan 0.000 0.542 227 V N 1.469 121.486 119.914 0.172 0.000 2.339 227 V HA 0.061 4.181 4.120 -0.000 0.000 0.261 227 V C 0.502 176.702 176.094 0.178 0.000 1.058 227 V CA -0.175 62.170 62.300 0.077 0.000 0.897 227 V CB -0.062 31.776 31.823 0.025 0.000 1.052 227 V HN 0.482 nan 8.190 nan 0.000 0.480 228 H N 3.372 122.457 119.070 0.024 0.000 2.384 228 H HA 0.231 4.787 4.556 -0.000 0.000 0.300 228 H C 0.673 176.034 175.328 0.054 0.000 1.057 228 H CA 0.304 56.367 56.048 0.026 0.000 1.370 228 H CB 0.485 30.247 29.762 -0.000 0.000 1.417 228 H HN 0.414 nan 8.280 nan 0.000 0.527 229 R N 1.102 121.692 120.500 0.151 0.000 2.513 229 R HA 0.386 4.726 4.340 -0.000 0.000 0.301 229 R C -1.771 174.540 176.300 0.017 0.000 0.968 229 R CA -0.760 55.420 56.100 0.134 0.000 0.872 229 R CB 2.587 32.886 30.300 -0.002 0.000 1.177 229 R HN -0.008 nan 8.270 nan 0.000 0.444 230 L N 3.127 124.347 121.223 -0.005 0.000 2.365 230 L HA 0.698 5.038 4.340 -0.000 0.000 0.273 230 L C -1.326 175.551 176.870 0.010 0.000 1.000 230 L CA -0.791 53.973 54.840 -0.126 0.000 0.819 230 L CB 2.163 43.938 42.059 -0.474 0.000 1.284 230 L HN 0.433 nan 8.230 nan 0.000 0.418 231 V N 4.518 124.450 119.914 0.031 0.000 2.932 231 V HA 0.490 4.610 4.120 -0.000 0.000 0.307 231 V C -1.211 174.945 176.094 0.104 0.000 1.147 231 V CA -0.829 61.532 62.300 0.101 0.000 0.951 231 V CB 2.172 34.047 31.823 0.087 0.000 1.031 231 V HN 0.895 nan 8.190 nan 0.000 0.426 232 K N 4.822 125.299 120.400 0.128 0.000 2.262 232 K HA 0.637 4.957 4.320 -0.000 0.000 0.282 232 K C 0.346 177.026 176.600 0.133 0.000 1.066 232 K CA 0.138 56.514 56.287 0.149 0.000 0.901 232 K CB 0.926 33.511 32.500 0.141 0.000 1.089 232 K HN 1.048 nan 8.250 nan 0.000 0.476 233 G N 3.314 112.224 108.800 0.184 0.000 2.414 233 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.236 233 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.236 233 G C 0.104 174.940 174.900 -0.107 0.000 1.293 233 G CA -0.278 44.796 45.100 -0.043 0.000 0.869 233 G HN 0.902 nan 8.290 nan 0.000 0.556 234 E N 0.214 120.316 120.200 -0.164 0.000 2.122 234 E HA 0.047 4.397 4.350 -0.000 0.000 0.190 234 E C 1.018 177.539 176.600 -0.133 0.000 0.977 234 E CA 0.755 57.098 56.400 -0.095 0.000 0.820 234 E CB 0.254 29.919 29.700 -0.059 0.000 0.770 234 E HN 0.482 nan 8.360 nan 0.000 0.462 235 K N -0.179 120.050 120.400 -0.285 0.000 2.464 235 K HA 0.286 4.606 4.320 -0.000 0.000 0.253 235 K C -1.950 174.400 176.600 -0.416 0.000 0.933 235 K CA -0.619 55.542 56.287 -0.211 0.000 0.801 235 K CB 1.232 33.679 32.500 -0.088 0.000 1.271 235 K HN -0.162 nan 8.250 nan 0.000 0.430 236 Y N 2.321 122.678 120.300 0.094 0.000 2.402 236 Y HA 0.206 4.756 4.550 -0.000 0.000 0.325 236 Y C 0.470 176.439 175.900 0.115 0.000 1.009 236 Y CA -0.650 57.520 58.100 0.115 0.000 1.278 236 Y CB 1.927 40.450 38.460 0.106 0.000 1.105 236 Y HN 0.738 nan 8.280 nan 0.000 0.476 237 E N 1.864 122.240 120.200 0.294 0.000 2.112 237 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 237 E C -0.045 176.629 176.600 0.123 0.000 0.979 237 E CA 0.337 56.842 56.400 0.174 0.000 0.814 237 E CB 0.133 29.917 29.700 0.140 0.000 0.762 237 E HN 0.448 nan 8.360 nan 0.000 0.460 238 K N 1.853 122.393 120.400 0.234 0.000 4.418 238 K HA -0.215 4.105 4.320 -0.000 0.000 0.285 238 K C -0.730 175.866 176.600 -0.007 0.000 0.874 238 K CA 0.259 56.634 56.287 0.147 0.000 0.844 238 K CB -0.933 31.624 32.500 0.096 0.000 1.691 238 K HN 0.183 nan 8.250 nan 0.000 0.433 239 R N 0.963 121.368 120.500 -0.158 0.000 2.594 239 R HA 0.306 4.646 4.340 -0.000 0.000 0.272 239 R C 0.686 176.914 176.300 -0.120 0.000 1.074 239 R CA -0.186 55.744 56.100 -0.284 0.000 1.105 239 R CB 0.580 30.473 30.300 -0.679 0.000 1.008 239 R HN 0.291 nan 8.270 nan 0.000 0.472 240 I N 1.815 122.321 120.570 -0.107 0.000 2.330 240 I HA 0.031 4.201 4.170 -0.000 0.000 0.289 240 I C 1.408 177.489 176.117 -0.061 0.000 1.001 240 I CA -0.060 61.204 61.300 -0.060 0.000 1.193 240 I CB 1.643 39.609 38.000 -0.056 0.000 1.345 240 I HN 0.775 nan 8.210 nan 0.000 0.461 241 E N 6.171 126.351 120.200 -0.033 0.000 2.046 241 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 241 E C 0.332 176.914 176.600 -0.030 0.000 0.982 241 E CA 0.985 57.371 56.400 -0.024 0.000 0.800 241 E CB 0.468 30.170 29.700 0.003 0.000 0.756 241 E HN 0.486 nan 8.360 nan 0.000 0.449 242 R N 1.070 121.549 120.500 -0.035 0.000 2.487 242 R HA 0.232 4.572 4.340 -0.000 0.000 0.288 242 R C -1.264 174.980 176.300 -0.093 0.000 1.394 242 R CA -0.587 55.480 56.100 -0.055 0.000 1.155 242 R CB 1.258 31.531 30.300 -0.045 0.000 1.156 242 R HN 0.059 nan 8.270 nan 0.000 0.553 243 L N 2.073 123.240 121.223 -0.094 0.000 2.418 243 L HA 0.199 4.539 4.340 -0.000 0.000 0.274 243 L C -0.632 176.127 176.870 -0.185 0.000 1.135 243 L CA 0.833 55.604 54.840 -0.116 0.000 0.870 243 L CB 0.997 43.006 42.059 -0.083 0.000 1.154 243 L HN 0.393 nan 8.230 nan 0.000 0.462 244 S N 4.381 119.906 115.700 -0.292 0.000 2.659 244 S HA 0.728 5.198 4.470 -0.000 0.000 0.312 244 S C -0.403 173.966 174.600 -0.385 0.000 1.114 244 S CA -0.663 57.213 58.200 -0.539 0.000 1.063 244 S CB 1.465 63.928 63.200 -1.228 0.000 0.996 244 S HN 0.449 nan 8.310 nan 0.000 0.478 245 V N 3.035 122.844 119.914 -0.175 0.000 3.229 245 V HA 0.761 4.881 4.120 -0.000 0.000 0.310 245 V C -0.002 176.154 176.094 0.105 0.000 1.206 245 V CA -1.200 61.095 62.300 -0.009 0.000 1.051 245 V CB 1.941 33.755 31.823 -0.015 0.000 1.183 245 V HN 0.936 nan 8.190 nan 0.000 0.466 246 R N -0.083 120.474 120.500 0.095 0.000 2.734 246 R HA 0.608 4.948 4.340 -0.000 0.000 0.271 246 R C -1.250 175.074 176.300 0.040 0.000 1.021 246 R CA -0.987 55.165 56.100 0.086 0.000 0.893 246 R CB 1.872 32.228 30.300 0.094 0.000 1.244 246 R HN 0.542 nan 8.270 nan 0.000 0.464 262 V N 0.841 120.686 119.914 -0.114 0.000 2.323 262 V HA -0.133 3.987 4.120 -0.000 0.000 0.244 262 V C 2.273 178.293 176.094 -0.123 0.000 1.041 262 V CA 1.568 63.782 62.300 -0.143 0.000 1.025 262 V CB -0.120 31.648 31.823 -0.091 0.000 0.656 262 V HN 0.329 nan 8.190 nan 0.000 0.451 263 R N 0.020 120.479 120.500 -0.069 0.000 2.120 263 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 263 R C 2.331 178.602 176.300 -0.049 0.000 1.123 263 R CA 1.524 57.600 56.100 -0.040 0.000 0.975 263 R CB -0.350 29.948 30.300 -0.004 0.000 0.866 263 R HN 0.637 nan 8.270 nan 0.000 0.446 264 E N 1.410 121.570 120.200 -0.066 0.000 2.051 264 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 264 E C 1.961 178.482 176.600 -0.132 0.000 0.991 264 E CA 1.204 57.559 56.400 -0.075 0.000 0.799 264 E CB 0.104 29.765 29.700 -0.065 0.000 0.748 264 E HN 0.228 nan 8.360 nan 0.000 0.449 265 R N 0.094 120.474 120.500 -0.200 0.000 2.096 265 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 265 R C 2.467 178.678 176.300 -0.149 0.000 1.127 265 R CA 1.569 57.514 56.100 -0.258 0.000 0.968 265 R CB -0.189 29.767 30.300 -0.574 0.000 0.861 265 R HN 0.312 nan 8.270 nan 0.000 0.440 266 I N 0.052 120.551 120.570 -0.118 0.000 2.286 266 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 266 I C 2.080 178.177 176.117 -0.034 0.000 1.104 266 I CA 1.181 62.446 61.300 -0.059 0.000 1.397 266 I CB -0.263 37.715 38.000 -0.036 0.000 1.072 266 I HN 0.116 nan 8.210 nan 0.000 0.417 267 I N 0.998 121.550 120.570 -0.030 0.000 2.179 267 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 267 I C 2.355 178.422 176.117 -0.085 0.000 1.088 267 I CA 1.617 62.925 61.300 0.013 0.000 1.357 267 I CB -0.402 37.646 38.000 0.080 0.000 1.051 267 I HN 0.147 nan 8.210 nan 0.000 0.409 268 K N 0.069 120.332 120.400 -0.229 0.000 2.362 268 K HA -0.173 4.147 4.320 -0.000 0.000 0.200 268 K C 2.132 178.658 176.600 -0.123 0.000 1.046 268 K CA 0.724 56.818 56.287 -0.321 0.000 0.952 268 K CB -0.016 32.293 32.500 -0.318 0.000 0.753 268 K HN 0.071 nan 8.250 nan 0.000 0.466 269 R N 0.766 121.232 120.500 -0.056 0.000 2.128 269 R HA 0.145 4.485 4.340 -0.000 0.000 0.211 269 R C 1.808 178.100 176.300 -0.014 0.000 1.067 269 R CA 1.146 57.237 56.100 -0.015 0.000 1.010 269 R CB -0.456 29.847 30.300 0.004 0.000 0.922 269 R HN 0.066 nan 8.270 nan 0.000 0.457 270 A N 0.711 123.526 122.820 -0.008 0.000 1.933 270 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 270 A C 2.270 179.855 177.584 0.002 0.000 1.175 270 A CA 1.677 53.702 52.037 -0.020 0.000 0.628 270 A CB -0.970 18.040 19.000 0.017 0.000 0.814 270 A HN 0.432 nan 8.150 nan 0.000 0.444 271 A N -0.578 122.335 122.820 0.154 0.000 2.070 271 A HA 0.042 4.362 4.320 -0.000 0.000 0.220 271 A C 1.919 179.679 177.584 0.293 0.000 1.159 271 A CA 1.235 53.502 52.037 0.384 0.000 0.656 271 A CB -0.493 18.712 19.000 0.341 0.000 0.800 271 A HN 0.484 nan 8.150 nan 0.000 0.453 272 L N -0.638 120.643 121.223 0.097 0.000 2.554 272 L HA 0.004 4.344 4.340 -0.000 0.000 0.226 272 L C 1.865 178.735 176.870 0.000 0.000 1.137 272 L CA 0.216 55.092 54.840 0.060 0.000 0.863 272 L CB -0.137 41.935 42.059 0.022 0.000 0.985 272 L HN 0.275 nan 8.230 nan 0.000 0.451 273 E N 0.063 120.194 120.200 -0.116 0.000 2.358 273 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 273 E C 0.221 176.679 176.600 -0.238 0.000 1.010 273 E CA 0.316 56.586 56.400 -0.218 0.000 0.856 273 E CB 0.088 29.581 29.700 -0.344 0.000 0.795 273 E HN 0.216 nan 8.360 nan 0.000 0.504 274 F N 1.668 121.619 119.950 0.002 0.000 2.471 274 F HA 0.135 4.662 4.527 -0.000 0.000 0.353 274 F C 1.085 176.870 175.800 -0.025 0.000 1.113 274 F CA 0.227 58.218 58.000 -0.015 0.000 1.262 274 F CB 0.634 39.622 39.000 -0.020 0.000 1.146 274 F HN -0.263 nan 8.300 nan 0.000 0.578 275 E N 0.365 120.658 120.200 0.156 0.000 2.369 275 E HA 0.178 4.528 4.350 -0.000 0.000 0.270 275 E C -1.602 175.004 176.600 0.011 0.000 0.909 275 E CA -1.185 55.253 56.400 0.063 0.000 0.775 275 E CB 2.024 31.746 29.700 0.035 0.000 1.270 275 E HN 0.411 nan 8.360 nan 0.000 0.445 276 D N -0.279 120.111 120.400 -0.016 0.000 2.425 276 D HA 0.207 4.847 4.640 -0.000 0.000 0.247 276 D C 0.909 177.160 176.300 -0.082 0.000 1.147 276 D CA 1.838 55.799 54.000 -0.064 0.000 0.879 276 D CB 0.509 41.284 40.800 -0.042 0.000 1.179 276 D HN 0.640 nan 8.370 nan 0.000 0.456 277 G N 3.255 111.951 108.800 -0.173 0.000 2.155 277 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 277 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 277 G C 0.480 175.268 174.900 -0.187 0.000 0.983 277 G CA 0.522 45.529 45.100 -0.155 0.000 0.676 277 G HN 0.620 nan 8.290 nan 0.000 0.528 278 M N 0.156 119.640 119.600 -0.193 0.000 2.235 278 M HA 0.657 5.137 4.480 -0.000 0.000 0.351 278 M C -0.526 175.666 176.300 -0.180 0.000 1.178 278 M CA -0.600 54.648 55.300 -0.087 0.000 1.143 278 M CB 0.535 33.148 32.600 0.022 0.000 1.530 278 M HN 0.080 nan 8.290 nan 0.000 0.461 279 Y N 3.346 123.737 120.300 0.152 0.000 2.331 279 Y HA 0.676 5.226 4.550 -0.000 0.000 0.338 279 Y C -0.003 175.970 175.900 0.122 0.000 0.976 279 Y CA -0.398 57.800 58.100 0.163 0.000 1.137 279 Y CB 1.451 39.987 38.460 0.127 0.000 1.172 279 Y HN 0.789 nan 8.280 nan 0.000 0.478 280 A N 3.209 126.174 122.820 0.241 0.000 2.515 280 A HA 0.594 4.914 4.320 -0.000 0.000 0.296 280 A C -1.395 176.287 177.584 0.165 0.000 1.094 280 A CA -0.911 51.242 52.037 0.194 0.000 0.718 280 A CB 1.701 20.838 19.000 0.228 0.000 1.307 280 A HN 0.628 nan 8.150 nan 0.000 0.408 281 N N 1.488 120.263 118.700 0.125 0.000 2.443 281 N HA 0.510 5.250 4.740 -0.000 0.000 0.269 281 N C -1.668 173.901 175.510 0.099 0.000 0.985 281 N CA -0.203 52.903 53.050 0.094 0.000 0.921 281 N CB 0.913 39.434 38.487 0.058 0.000 1.195 281 N HN 0.594 nan 8.380 nan 0.000 0.492 282 L N 2.206 123.493 121.223 0.107 0.000 2.313 282 L HA 0.511 4.851 4.340 -0.000 0.000 0.283 282 L C 1.331 178.254 176.870 0.088 0.000 1.013 282 L CA -1.121 53.787 54.840 0.114 0.000 0.816 282 L CB 1.636 43.791 42.059 0.159 0.000 1.236 282 L HN 0.445 nan 8.230 nan 0.000 0.419 283 G N 3.154 112.002 108.800 0.080 0.000 2.544 283 G HA2 0.379 4.339 3.960 -0.000 0.000 0.242 283 G HA3 0.379 4.339 3.960 -0.000 0.000 0.242 283 G C 0.193 175.137 174.900 0.074 0.000 1.247 283 G CA -0.641 44.502 45.100 0.073 0.000 0.840 283 G HN 0.668 nan 8.290 nan 0.000 0.578 284 I N 0.052 120.664 120.570 0.068 0.000 2.836 284 I HA 0.555 4.725 4.170 -0.000 0.000 0.285 284 I C 1.061 177.221 176.117 0.071 0.000 1.174 284 I CA 0.262 61.606 61.300 0.075 0.000 1.405 284 I CB 0.377 38.421 38.000 0.075 0.000 1.385 284 I HN 1.064 nan 8.210 nan 0.000 0.594 285 G N 4.095 112.941 108.800 0.078 0.000 2.715 285 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.221 285 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.221 285 G C 0.331 175.278 174.900 0.077 0.000 1.204 285 G CA -0.006 45.137 45.100 0.072 0.000 1.063 285 G HN 0.648 nan 8.290 nan 0.000 0.586 286 I N 2.633 123.246 120.570 0.073 0.000 2.142 286 I HA -0.074 4.096 4.170 -0.000 0.000 0.240 286 I C 0.039 176.219 176.117 0.104 0.000 1.078 286 I CA 2.187 63.536 61.300 0.082 0.000 1.343 286 I CB -1.109 36.927 38.000 0.060 0.000 1.046 286 I HN 0.303 nan 8.210 nan 0.000 0.405 287 P HA -0.220 nan 4.420 nan 0.000 0.213 287 P C 1.867 179.268 177.300 0.168 0.000 1.170 287 P CA 1.360 64.532 63.100 0.121 0.000 0.902 287 P CB -0.033 31.722 31.700 0.092 0.000 0.789 288 L N -1.287 120.006 121.223 0.117 0.000 2.131 288 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 288 L C 2.147 179.046 176.870 0.049 0.000 1.092 288 L CA 1.620 56.508 54.840 0.079 0.000 0.759 288 L CB -1.296 40.790 42.059 0.045 0.000 0.903 288 L HN -0.110 nan 8.230 nan 0.000 0.435 289 L N -0.834 120.435 121.223 0.077 0.000 2.141 289 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 289 L C 2.562 179.526 176.870 0.156 0.000 1.094 289 L CA 0.983 55.867 54.840 0.074 0.000 0.763 289 L CB -0.666 41.460 42.059 0.112 0.000 0.908 289 L HN 0.365 nan 8.230 nan 0.000 0.437 290 A N -0.221 122.750 122.820 0.252 0.000 2.015 290 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 290 A C 2.435 180.227 177.584 0.347 0.000 1.163 290 A CA 1.602 53.889 52.037 0.417 0.000 0.646 290 A CB -0.547 18.693 19.000 0.400 0.000 0.806 290 A HN 0.519 nan 8.150 nan 0.000 0.448 291 S N 0.375 116.136 115.700 0.102 0.000 2.507 291 S HA -0.100 4.370 4.470 -0.000 0.000 0.235 291 S C 1.221 175.649 174.600 -0.287 0.000 0.988 291 S CA 0.984 58.999 58.200 -0.307 0.000 0.944 291 S CB -0.522 62.496 63.200 -0.303 0.000 0.762 291 S HN 0.581 nan 8.310 nan 0.000 0.526 292 N N 0.501 119.047 118.700 -0.256 0.000 2.521 292 N HA 0.156 4.896 4.740 -0.000 0.000 0.188 292 N C -0.147 175.003 175.510 -0.601 0.000 1.146 292 N CA 0.517 53.301 53.050 -0.443 0.000 0.893 292 N CB -0.208 37.955 38.487 -0.540 0.000 0.975 292 N HN 0.500 nan 8.380 nan 0.000 0.451 293 F N 0.376 120.281 119.950 -0.075 0.000 2.682 293 F HA 0.376 4.903 4.527 -0.000 0.000 0.308 293 F C 0.889 176.655 175.800 -0.057 0.000 1.093 293 F CA -0.572 57.406 58.000 -0.037 0.000 1.244 293 F CB 0.263 39.274 39.000 0.018 0.000 1.052 293 F HN -0.169 nan 8.300 nan 0.000 0.573 294 I N 0.581 121.126 120.570 -0.041 0.000 2.683 294 I HA -0.083 4.087 4.170 -0.000 0.000 0.286 294 I C 1.113 177.191 176.117 -0.065 0.000 1.175 294 I CA -0.017 61.220 61.300 -0.106 0.000 1.429 294 I CB 0.480 38.283 38.000 -0.328 0.000 1.371 294 I HN -0.031 nan 8.210 nan 0.000 0.569 295 S N 7.712 123.397 115.700 -0.024 0.000 2.563 295 S HA 0.060 4.530 4.470 -0.000 0.000 0.294 295 S C -1.349 173.219 174.600 -0.054 0.000 1.279 295 S CA -0.957 57.231 58.200 -0.021 0.000 1.069 295 S CB 0.691 63.888 63.200 -0.006 0.000 0.828 295 S HN 0.383 nan 8.310 nan 0.000 0.497 296 P HA -0.037 nan 4.420 nan 0.000 0.221 296 P C 0.561 177.829 177.300 -0.054 0.000 1.145 296 P CA 0.894 63.959 63.100 -0.058 0.000 0.795 296 P CB 0.080 31.753 31.700 -0.044 0.000 0.775 297 N N -1.599 117.076 118.700 -0.043 0.000 2.280 297 N HA 0.091 4.831 4.740 -0.000 0.000 0.192 297 N C 0.428 175.910 175.510 -0.047 0.000 1.109 297 N CA 0.155 53.182 53.050 -0.038 0.000 0.855 297 N CB 0.246 38.719 38.487 -0.024 0.000 0.974 297 N HN 0.276 nan 8.380 nan 0.000 0.482 298 M N 0.967 120.529 119.600 -0.063 0.000 2.294 298 M HA 0.225 4.705 4.480 -0.000 0.000 0.335 298 M C -1.021 175.201 176.300 -0.130 0.000 1.079 298 M CA -0.209 55.045 55.300 -0.077 0.000 0.982 298 M CB 1.387 33.954 32.600 -0.056 0.000 1.651 298 M HN -0.232 nan 8.290 nan 0.000 0.437 299 T N 4.419 118.875 114.554 -0.164 0.000 2.743 299 T HA 0.542 4.892 4.350 -0.000 0.000 0.292 299 T C -0.748 173.690 174.700 -0.436 0.000 0.972 299 T CA -0.504 61.434 62.100 -0.270 0.000 0.967 299 T CB 0.774 69.499 68.868 -0.237 0.000 0.926 299 T HN 0.488 nan 8.240 nan 0.000 0.459 300 V N 4.803 124.436 119.914 -0.468 0.000 2.531 300 V HA 0.340 4.460 4.120 -0.000 0.000 0.301 300 V C -0.532 175.259 176.094 -0.505 0.000 1.034 300 V CA -1.056 60.961 62.300 -0.473 0.000 0.865 300 V CB 1.550 33.188 31.823 -0.307 0.000 0.995 300 V HN 0.833 nan 8.190 nan 0.000 0.424 301 H N 5.320 124.258 119.070 -0.219 0.000 2.640 301 H HA 0.478 5.034 4.556 -0.000 0.000 0.297 301 H C -0.519 174.808 175.328 -0.003 0.000 1.073 301 H CA -0.372 55.586 56.048 -0.150 0.000 1.305 301 H CB 1.319 30.897 29.762 -0.307 0.000 1.404 301 H HN 0.432 nan 8.280 nan 0.000 0.459 302 L N 3.099 124.380 121.223 0.098 0.000 2.276 302 L HA 0.239 4.579 4.340 -0.000 0.000 0.286 302 L C 0.666 177.601 176.870 0.107 0.000 1.061 302 L CA -0.343 54.551 54.840 0.090 0.000 0.807 302 L CB 1.217 43.288 42.059 0.020 0.000 1.177 302 L HN 0.417 nan 8.230 nan 0.000 0.429 303 Q N 2.340 122.212 119.800 0.120 0.000 2.274 303 Q HA 0.372 4.712 4.340 -0.000 0.000 0.260 303 Q C -1.231 174.788 176.000 0.030 0.000 0.974 303 Q CA -0.226 55.636 55.803 0.099 0.000 0.876 303 Q CB 2.273 31.083 28.738 0.119 0.000 1.297 303 Q HN 0.599 nan 8.270 nan 0.000 0.446 304 S N 2.175 117.863 115.700 -0.021 0.000 2.473 304 S HA 0.207 4.677 4.470 -0.000 0.000 0.307 304 S C 0.179 174.681 174.600 -0.164 0.000 1.094 304 S CA -0.471 57.681 58.200 -0.081 0.000 1.070 304 S CB 1.046 64.184 63.200 -0.103 0.000 1.019 304 S HN 0.625 nan 8.310 nan 0.000 0.480 305 E N 2.387 122.473 120.200 -0.190 0.000 2.209 305 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 305 E C 1.429 177.823 176.600 -0.343 0.000 0.993 305 E CA 1.148 57.348 56.400 -0.334 0.000 0.819 305 E CB -0.133 29.479 29.700 -0.147 0.000 0.745 305 E HN 0.712 nan 8.360 nan 0.000 0.477 306 N N 0.338 118.725 118.700 -0.521 0.000 2.501 306 N HA -0.010 4.730 4.740 -0.000 0.000 0.195 306 N C 0.670 175.863 175.510 -0.530 0.000 1.213 306 N CA 0.927 53.480 53.050 -0.828 0.000 0.864 306 N CB 0.432 37.886 38.487 -1.721 0.000 0.999 306 N HN 0.202 nan 8.380 nan 0.000 0.454 307 G N 0.075 108.600 108.800 -0.458 0.000 2.237 307 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.153 307 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.153 307 G C -0.551 173.667 174.900 -1.136 0.000 1.039 307 G CA -0.286 44.364 45.100 -0.749 0.000 0.719 307 G HN 0.348 nan 8.290 nan 0.000 0.491 308 I N -0.389 119.742 120.570 -0.731 0.000 2.608 308 I HA 0.746 4.916 4.170 -0.000 0.000 0.295 308 I C -0.612 175.391 176.117 -0.189 0.000 1.049 308 I CA -1.409 59.601 61.300 -0.483 0.000 1.063 308 I CB 2.157 40.047 38.000 -0.182 0.000 1.248 308 I HN 0.064 nan 8.210 nan 0.000 0.424 309 L N 4.610 125.772 121.223 -0.102 0.000 2.441 309 L HA 0.783 5.123 4.340 -0.000 0.000 0.270 309 L C 0.100 176.962 176.870 -0.014 0.000 0.973 309 L CA 0.225 55.120 54.840 0.091 0.000 0.842 309 L CB 1.616 43.827 42.059 0.254 0.000 1.239 309 L HN 0.816 nan 8.230 nan 0.000 0.406 310 G N 4.432 113.248 108.800 0.027 0.000 2.226 310 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.176 310 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.176 310 G C -0.124 174.754 174.900 -0.038 0.000 1.042 310 G CA -0.155 44.947 45.100 0.004 0.000 0.732 310 G HN 0.640 nan 8.290 nan 0.000 0.494 311 L N 0.190 121.397 121.223 -0.026 0.000 2.529 311 L HA 0.424 4.764 4.340 -0.000 0.000 0.287 311 L C 1.430 178.271 176.870 -0.048 0.000 1.241 311 L CA 1.090 55.909 54.840 -0.034 0.000 0.857 311 L CB 0.546 42.591 42.059 -0.022 0.000 1.113 311 L HN 0.394 nan 8.230 nan 0.000 0.504 312 G N 2.561 111.334 108.800 -0.045 0.000 3.013 312 G HA2 0.649 4.609 3.960 -0.000 0.000 0.278 312 G HA3 0.649 4.609 3.960 -0.000 0.000 0.278 312 G C -2.722 172.128 174.900 -0.084 0.000 1.353 312 G CA -0.897 44.166 45.100 -0.062 0.000 1.043 312 G HN 0.416 nan 8.290 nan 0.000 0.523 313 P HA 0.112 nan 4.420 nan 0.000 0.272 313 P C -0.806 176.462 177.300 -0.052 0.000 1.254 313 P CA -0.257 62.748 63.100 -0.159 0.000 0.795 313 P CB 0.465 32.090 31.700 -0.126 0.000 1.022 314 Y N 0.050 120.332 120.300 -0.030 0.000 2.550 314 Y HA 0.105 4.655 4.550 -0.000 0.000 0.343 314 Y C -1.273 174.615 175.900 -0.019 0.000 1.245 314 Y CA -2.133 55.955 58.100 -0.020 0.000 1.462 314 Y CB -1.286 37.164 38.460 -0.018 0.000 1.340 314 Y HN 0.303 nan 8.280 nan 0.000 0.604 315 P HA 0.136 nan 4.420 nan 0.000 0.275 315 P C -0.493 176.840 177.300 0.056 0.000 1.228 315 P CA -0.125 63.022 63.100 0.077 0.000 0.786 315 P CB 1.048 32.778 31.700 0.049 0.000 0.927 316 L N 1.737 122.981 121.223 0.035 0.000 2.476 316 L HA 0.094 4.434 4.340 -0.000 0.000 0.255 316 L C 2.540 179.419 176.870 0.015 0.000 1.218 316 L CA -0.084 54.770 54.840 0.023 0.000 0.819 316 L CB -0.213 41.855 42.059 0.015 0.000 1.119 316 L HN 0.488 nan 8.230 nan 0.000 0.485 317 Q N 0.857 120.662 119.800 0.008 0.000 2.181 317 Q HA -0.215 4.125 4.340 -0.000 0.000 0.205 317 Q C 1.489 177.491 176.000 0.002 0.000 0.980 317 Q CA 1.953 57.757 55.803 0.002 0.000 0.862 317 Q CB 0.020 28.758 28.738 0.001 0.000 0.905 317 Q HN 0.760 nan 8.270 nan 0.000 0.429 318 N N -0.424 118.280 118.700 0.006 0.000 2.494 318 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 318 N C 0.296 175.809 175.510 0.006 0.000 1.076 318 N CA 0.778 53.832 53.050 0.006 0.000 0.908 318 N CB 0.058 38.550 38.487 0.008 0.000 0.967 318 N HN 0.413 nan 8.380 nan 0.000 0.449 319 E N 0.538 120.743 120.200 0.008 0.000 2.501 319 E HA 0.161 4.511 4.350 -0.000 0.000 0.201 319 E C -0.365 176.238 176.600 0.004 0.000 1.016 319 E CA -0.255 56.150 56.400 0.009 0.000 0.920 319 E CB 0.916 30.626 29.700 0.016 0.000 1.023 319 E HN 0.027 nan 8.360 nan 0.000 0.474 320 V N 2.675 122.588 119.914 -0.001 0.000 2.450 320 V HA -0.004 4.116 4.120 -0.000 0.000 0.281 320 V C 0.041 176.124 176.094 -0.019 0.000 1.019 320 V CA 0.469 62.763 62.300 -0.010 0.000 1.062 320 V CB 0.295 32.108 31.823 -0.017 0.000 0.979 320 V HN 0.140 nan 8.190 nan 0.000 0.477 321 D N 3.849 124.234 120.400 -0.024 0.000 2.593 321 D HA 0.505 5.145 4.640 -0.000 0.000 0.251 321 D C 0.647 176.919 176.300 -0.047 0.000 1.140 321 D CA -0.191 53.782 54.000 -0.044 0.000 0.855 321 D CB 2.331 43.095 40.800 -0.061 0.000 1.267 321 D HN 0.457 nan 8.370 nan 0.000 0.532 322 A N 3.367 126.158 122.820 -0.048 0.000 2.070 322 A HA -0.140 4.179 4.320 -0.000 0.000 0.220 322 A C 1.271 178.829 177.584 -0.043 0.000 1.159 322 A CA 1.144 53.161 52.037 -0.034 0.000 0.656 322 A CB 0.053 19.040 19.000 -0.022 0.000 0.800 322 A HN 0.508 nan 8.150 nan 0.000 0.453 323 D N -1.334 119.009 120.400 -0.095 0.000 2.340 323 D HA 0.160 4.800 4.640 -0.000 0.000 0.220 323 D C -0.359 175.846 176.300 -0.158 0.000 1.039 323 D CA 0.342 54.258 54.000 -0.140 0.000 0.866 323 D CB 0.436 41.090 40.800 -0.244 0.000 0.913 323 D HN 0.295 nan 8.370 nan 0.000 0.523 324 L N 1.786 122.950 121.223 -0.100 0.000 2.388 324 L HA 0.393 4.733 4.340 -0.000 0.000 0.267 324 L C -0.795 176.072 176.870 -0.004 0.000 0.995 324 L CA -0.781 54.017 54.840 -0.070 0.000 0.864 324 L CB 0.632 42.664 42.059 -0.045 0.000 1.216 324 L HN -0.097 nan 8.230 nan 0.000 0.430 325 I N 1.279 121.859 120.570 0.017 0.000 3.074 325 I HA 0.714 4.884 4.170 -0.000 0.000 0.310 325 I C -0.601 175.559 176.117 0.071 0.000 1.153 325 I CA -0.949 60.390 61.300 0.065 0.000 0.993 325 I CB 2.119 40.183 38.000 0.106 0.000 1.237 325 I HN 0.544 nan 8.210 nan 0.000 0.443 326 N N 2.694 121.457 118.700 0.106 0.000 2.418 326 N HA 0.400 5.140 4.740 -0.000 0.000 0.283 326 N C 0.864 176.474 175.510 0.167 0.000 1.267 326 N CA -0.115 52.991 53.050 0.093 0.000 0.975 326 N CB 0.553 39.109 38.487 0.115 0.000 1.167 326 N HN 0.840 nan 8.380 nan 0.000 0.581 327 A N -0.845 122.059 122.820 0.141 0.000 1.978 327 A HA 0.014 4.334 4.320 -0.000 0.000 0.220 327 A C 1.739 179.486 177.584 0.272 0.000 1.170 327 A CA 1.686 53.892 52.037 0.282 0.000 0.636 327 A CB -1.529 17.575 19.000 0.174 0.000 0.810 327 A HN 0.818 nan 8.150 nan 0.000 0.448 328 G N -1.403 107.489 108.800 0.152 0.000 3.210 328 G HA2 0.277 4.236 3.960 -0.000 0.000 0.220 328 G HA3 0.277 4.236 3.960 -0.000 0.000 0.220 328 G C 0.504 175.450 174.900 0.077 0.000 1.200 328 G CA 0.340 45.486 45.100 0.077 0.000 0.834 328 G HN 0.333 nan 8.290 nan 0.000 0.524 329 K N -0.260 120.224 120.400 0.141 0.000 3.209 329 K HA -0.181 4.139 4.320 -0.000 0.000 0.289 329 K C -0.105 176.533 176.600 0.062 0.000 1.191 329 K CA 0.970 57.321 56.287 0.108 0.000 0.851 329 K CB -1.786 30.738 32.500 0.039 0.000 1.242 329 K HN 0.650 nan 8.250 nan 0.000 0.480 330 E N 1.208 121.448 120.200 0.068 0.000 2.216 330 E HA 0.181 4.530 4.350 -0.000 0.000 0.279 330 E C 0.192 176.802 176.600 0.017 0.000 0.997 330 E CA -0.400 56.001 56.400 0.001 0.000 0.817 330 E CB 0.852 30.560 29.700 0.013 0.000 1.096 330 E HN 0.207 nan 8.360 nan 0.000 0.393 331 T N -0.235 114.288 114.554 -0.053 0.000 2.867 331 T HA 0.270 4.620 4.350 -0.000 0.000 0.297 331 T C 0.439 175.178 174.700 0.065 0.000 0.989 331 T CA -0.729 61.363 62.100 -0.013 0.000 1.159 331 T CB 0.113 68.951 68.868 -0.050 0.000 0.928 331 T HN 0.300 nan 8.240 nan 0.000 0.538 332 V N -0.075 119.901 119.914 0.104 0.000 3.105 332 V HA 1.000 5.120 4.120 -0.000 0.000 0.311 332 V C -0.050 176.100 176.094 0.093 0.000 1.282 332 V CA -0.594 61.803 62.300 0.161 0.000 1.065 332 V CB 1.567 33.478 31.823 0.146 0.000 1.136 332 V HN 1.262 nan 8.190 nan 0.000 0.469 333 T N -1.314 113.284 114.554 0.074 0.000 2.838 333 T HA 0.858 5.208 4.350 -0.000 0.000 0.292 333 T C -0.538 174.179 174.700 0.029 0.000 1.113 333 T CA -0.129 62.001 62.100 0.050 0.000 1.008 333 T CB 1.364 70.252 68.868 0.034 0.000 1.259 333 T HN 2.129 nan 8.240 nan 0.000 0.520 334 V N -0.834 119.089 119.914 0.015 0.000 2.960 334 V HA 0.805 4.925 4.120 -0.000 0.000 0.315 334 V C -0.470 175.601 176.094 -0.039 0.000 1.087 334 V CA -1.346 60.934 62.300 -0.034 0.000 0.982 334 V CB 1.172 32.931 31.823 -0.106 0.000 1.039 334 V HN 1.010 nan 8.190 nan 0.000 0.437 335 L N 2.293 123.485 121.223 -0.051 0.000 2.431 335 L HA 0.562 4.902 4.340 -0.000 0.000 0.260 335 L C -2.043 174.802 176.870 -0.042 0.000 1.098 335 L CA -1.881 52.935 54.840 -0.039 0.000 0.800 335 L CB 1.444 43.482 42.059 -0.036 0.000 1.210 335 L HN 0.517 nan 8.230 nan 0.000 0.465 336 P HA 0.108 nan 4.420 nan 0.000 0.271 336 P C 0.430 177.715 177.300 -0.025 0.000 1.216 336 P CA 0.340 63.425 63.100 -0.025 0.000 0.771 336 P CB 1.206 32.899 31.700 -0.013 0.000 0.864 337 G N 1.193 109.972 108.800 -0.036 0.000 2.184 337 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.206 337 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.206 337 G C 0.349 175.212 174.900 -0.061 0.000 0.995 337 G CA 0.031 45.110 45.100 -0.034 0.000 0.651 337 G HN 0.859 nan 8.290 nan 0.000 0.511 338 A N -0.065 122.694 122.820 -0.101 0.000 2.296 338 A HA 0.876 5.196 4.320 -0.000 0.000 0.264 338 A C 0.773 178.211 177.584 -0.243 0.000 1.097 338 A CA 0.974 52.907 52.037 -0.174 0.000 0.811 338 A CB 0.663 19.513 19.000 -0.251 0.000 1.072 338 A HN 2.047 nan 8.150 nan 0.000 0.495 339 S N -1.243 114.274 115.700 -0.305 0.000 2.556 339 S HA 0.706 5.176 4.470 -0.000 0.000 0.271 339 S C -1.437 172.899 174.600 -0.440 0.000 1.135 339 S CA -0.656 57.386 58.200 -0.263 0.000 0.858 339 S CB 0.781 63.986 63.200 0.008 0.000 1.114 339 S HN 0.533 nan 8.310 nan 0.000 0.468 340 Y N 1.050 121.261 120.300 -0.149 0.000 2.487 340 Y HA 0.850 5.400 4.550 -0.000 0.000 0.337 340 Y C -0.208 175.494 175.900 -0.330 0.000 1.076 340 Y CA -1.183 56.654 58.100 -0.438 0.000 1.115 340 Y CB 1.544 39.830 38.460 -0.289 0.000 1.235 340 Y HN 0.887 nan 8.280 nan 0.000 0.468 341 F N -2.234 117.700 119.950 -0.026 0.000 2.741 341 F HA 0.632 5.159 4.527 -0.000 0.000 0.311 341 F C -0.417 175.263 175.800 -0.199 0.000 1.149 341 F CA -1.726 56.189 58.000 -0.141 0.000 0.930 341 F CB 0.237 39.146 39.000 -0.151 0.000 1.312 341 F HN 0.371 nan 8.300 nan 0.000 0.450 342 S N -0.037 115.651 115.700 -0.019 0.000 2.617 342 S HA 0.250 4.720 4.470 -0.000 0.000 0.255 342 S C 0.696 175.225 174.600 -0.118 0.000 1.318 342 S CA 0.096 58.191 58.200 -0.175 0.000 0.978 342 S CB 0.906 63.967 63.200 -0.232 0.000 0.961 342 S HN 0.699 nan 8.310 nan 0.000 0.582 343 S N 1.167 116.683 115.700 -0.307 0.000 2.428 343 S HA -0.083 4.387 4.470 -0.000 0.000 0.230 343 S C 1.650 176.201 174.600 -0.082 0.000 1.014 343 S CA 0.962 58.988 58.200 -0.291 0.000 0.957 343 S CB -0.571 62.059 63.200 -0.949 0.000 0.784 343 S HN 0.904 nan 8.310 nan 0.000 0.499 344 D N 1.104 121.404 120.400 -0.166 0.000 2.277 344 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 344 D C 1.681 177.949 176.300 -0.054 0.000 0.962 344 D CA 0.776 54.726 54.000 -0.084 0.000 0.865 344 D CB -0.129 40.589 40.800 -0.136 0.000 0.939 344 D HN 0.317 nan 8.370 nan 0.000 0.510 345 E N 1.163 121.320 120.200 -0.073 0.000 2.122 345 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 345 E C 2.002 178.483 176.600 -0.200 0.000 0.977 345 E CA 0.977 57.291 56.400 -0.143 0.000 0.820 345 E CB -0.332 29.280 29.700 -0.147 0.000 0.770 345 E HN 0.102 nan 8.360 nan 0.000 0.462 346 S N -1.218 114.464 115.700 -0.031 0.000 2.402 346 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 346 S C 1.379 175.801 174.600 -0.296 0.000 1.021 346 S CA 0.868 59.027 58.200 -0.068 0.000 0.974 346 S CB -0.363 62.861 63.200 0.040 0.000 0.800 346 S HN 0.331 nan 8.310 nan 0.000 0.484 347 F N 1.028 120.950 119.950 -0.047 0.000 2.754 347 F HA 0.456 4.983 4.527 -0.000 0.000 0.297 347 F C 2.199 177.978 175.800 -0.035 0.000 1.122 347 F CA 0.281 58.266 58.000 -0.024 0.000 1.400 347 F CB -0.255 38.737 39.000 -0.012 0.000 1.117 347 F HN 0.266 nan 8.300 nan 0.000 0.587 348 A N -0.218 122.624 122.820 0.037 0.000 1.898 348 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 348 A C 2.215 179.809 177.584 0.018 0.000 1.183 348 A CA 1.124 53.160 52.037 -0.002 0.000 0.622 348 A CB -0.559 18.392 19.000 -0.081 0.000 0.824 348 A HN 0.346 nan 8.150 nan 0.000 0.444 349 M N -0.562 118.989 119.600 -0.081 0.000 2.086 349 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 349 M C 1.893 178.214 176.300 0.036 0.000 1.067 349 M CA 1.812 57.068 55.300 -0.073 0.000 1.116 349 M CB -0.256 32.154 32.600 -0.318 0.000 1.348 349 M HN 0.431 nan 8.290 nan 0.000 0.407 350 I N -0.895 119.655 120.570 -0.033 0.000 2.233 350 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 350 I C 2.610 178.766 176.117 0.064 0.000 1.093 350 I CA 1.034 62.332 61.300 -0.003 0.000 1.380 350 I CB -0.443 37.516 38.000 -0.069 0.000 1.067 350 I HN 0.290 nan 8.210 nan 0.000 0.413 351 R N 0.989 121.556 120.500 0.111 0.000 2.092 351 R HA -0.113 4.226 4.340 -0.000 0.000 0.231 351 R C 2.177 178.518 176.300 0.068 0.000 1.119 351 R CA 1.441 57.615 56.100 0.124 0.000 0.970 351 R CB -0.416 29.979 30.300 0.158 0.000 0.864 351 R HN 0.415 nan 8.270 nan 0.000 0.440 352 G N -1.052 107.773 108.800 0.042 0.000 2.598 352 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.215 352 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.215 352 G C 0.858 175.598 174.900 -0.266 0.000 1.131 352 G CA 0.596 45.656 45.100 -0.067 0.000 0.785 352 G HN 0.569 nan 8.290 nan 0.000 0.539 353 G N -0.629 108.069 108.800 -0.170 0.000 2.132 353 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.234 353 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.234 353 G C 0.864 175.614 174.900 -0.249 0.000 0.989 353 G CA 0.522 45.518 45.100 -0.173 0.000 0.676 353 G HN 0.563 nan 8.290 nan 0.000 0.522 354 H N -0.778 118.256 119.070 -0.060 0.000 2.462 354 H HA 0.120 4.676 4.556 -0.000 0.000 0.292 354 H C 1.559 176.843 175.328 -0.073 0.000 1.049 354 H CA 1.185 57.170 56.048 -0.105 0.000 1.334 354 H CB 0.210 29.855 29.762 -0.195 0.000 1.404 354 H HN 0.330 nan 8.280 nan 0.000 0.544 355 V N 2.725 122.674 119.914 0.058 0.000 2.508 355 V HA -0.035 4.085 4.120 -0.000 0.000 0.281 355 V C 0.822 176.976 176.094 0.101 0.000 1.041 355 V CA 0.115 62.475 62.300 0.099 0.000 1.016 355 V CB 1.112 32.980 31.823 0.075 0.000 0.984 355 V HN 0.401 nan 8.190 nan 0.000 0.478 356 N N 3.308 122.101 118.700 0.156 0.000 2.171 356 N HA 0.038 4.778 4.740 -0.000 0.000 0.184 356 N C 0.050 175.605 175.510 0.075 0.000 1.021 356 N CA 0.492 53.611 53.050 0.115 0.000 0.854 356 N CB 0.160 38.734 38.487 0.144 0.000 0.994 356 N HN 0.478 nan 8.380 nan 0.000 0.426 357 L N 0.219 121.492 121.223 0.082 0.000 2.410 357 L HA 0.435 4.775 4.340 -0.000 0.000 0.270 357 L C -1.379 175.519 176.870 0.047 0.000 0.983 357 L CA -0.292 54.572 54.840 0.040 0.000 0.822 357 L CB 2.283 44.340 42.059 -0.003 0.000 1.285 357 L HN -0.225 nan 8.230 nan 0.000 0.409 358 T N 6.088 120.659 114.554 0.029 0.000 2.791 358 T HA 0.543 4.893 4.350 -0.000 0.000 0.288 358 T C -0.628 174.083 174.700 0.019 0.000 0.999 358 T CA -0.115 62.008 62.100 0.039 0.000 0.952 358 T CB 0.805 69.702 68.868 0.049 0.000 0.938 358 T HN 0.666 nan 8.240 nan 0.000 0.444 359 M N 6.479 126.092 119.600 0.022 0.000 2.181 359 M HA 0.734 5.214 4.480 -0.000 0.000 0.323 359 M C -1.415 174.907 176.300 0.038 0.000 1.004 359 M CA -0.732 54.571 55.300 0.006 0.000 0.941 359 M CB 0.683 33.263 32.600 -0.033 0.000 1.579 359 M HN 0.658 nan 8.290 nan 0.000 0.427 360 L N 1.722 122.967 121.223 0.037 0.000 2.630 360 L HA 1.004 5.344 4.340 -0.000 0.000 0.258 360 L C -0.366 176.532 176.870 0.047 0.000 1.072 360 L CA -1.135 53.736 54.840 0.051 0.000 0.885 360 L CB 1.205 43.301 42.059 0.061 0.000 1.502 360 L HN 0.679 nan 8.230 nan 0.000 0.406 361 G N -0.431 108.400 108.800 0.053 0.000 2.588 361 G HA2 0.737 4.697 3.960 -0.000 0.000 0.281 361 G HA3 0.737 4.697 3.960 -0.000 0.000 0.281 361 G C -0.797 174.134 174.900 0.051 0.000 1.236 361 G CA 0.004 45.133 45.100 0.048 0.000 0.969 361 G HN 1.260 nan 8.290 nan 0.000 0.504 362 A N -0.760 122.085 122.820 0.042 0.000 2.605 362 A HA 0.575 4.895 4.320 -0.000 0.000 0.294 362 A C 0.258 177.858 177.584 0.028 0.000 1.062 362 A CA -0.499 51.564 52.037 0.042 0.000 0.682 362 A CB 0.929 19.948 19.000 0.031 0.000 1.278 362 A HN 0.541 nan 8.150 nan 0.000 0.410 363 M N -0.244 119.373 119.600 0.028 0.000 2.534 363 M HA 0.175 4.655 4.480 -0.000 0.000 0.263 363 M C 0.131 176.430 176.300 -0.001 0.000 1.152 363 M CA 1.106 56.413 55.300 0.012 0.000 1.145 363 M CB 0.376 32.981 32.600 0.009 0.000 1.333 363 M HN 0.715 nan 8.290 nan 0.000 0.477 364 Q N 0.030 119.831 119.800 0.001 0.000 2.353 364 Q HA 0.561 4.901 4.340 -0.000 0.000 0.275 364 Q C -1.554 174.436 176.000 -0.017 0.000 1.029 364 Q CA -0.570 55.224 55.803 -0.015 0.000 0.848 364 Q CB 3.612 32.344 28.738 -0.010 0.000 1.390 364 Q HN -0.064 nan 8.270 nan 0.000 0.401 365 V N 1.267 121.151 119.914 -0.051 0.000 2.709 365 V HA 0.549 4.669 4.120 -0.000 0.000 0.308 365 V C -0.259 175.783 176.094 -0.086 0.000 1.062 365 V CA -0.594 61.672 62.300 -0.057 0.000 0.901 365 V CB 2.047 33.821 31.823 -0.081 0.000 1.003 365 V HN 0.929 nan 8.190 nan 0.000 0.425 366 S N 3.108 118.771 115.700 -0.061 0.000 2.713 366 S HA 0.407 4.877 4.470 -0.000 0.000 0.283 366 S C 1.041 175.554 174.600 -0.144 0.000 1.161 366 S CA -0.307 57.846 58.200 -0.077 0.000 0.999 366 S CB 1.454 64.651 63.200 -0.005 0.000 1.039 366 S HN 0.770 nan 8.310 nan 0.000 0.548 367 K N -0.261 120.003 120.400 -0.228 0.000 2.160 367 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 367 K C 0.449 176.752 176.600 -0.495 0.000 1.047 367 K CA 1.717 57.751 56.287 -0.423 0.000 0.930 367 K CB -0.345 31.807 32.500 -0.581 0.000 0.720 367 K HN 0.781 nan 8.250 nan 0.000 0.450 368 Y N -0.863 119.420 120.300 -0.027 0.000 2.485 368 Y HA 0.274 4.824 4.550 -0.000 0.000 0.260 368 Y C 1.103 177.001 175.900 -0.005 0.000 1.173 368 Y CA 0.146 58.240 58.100 -0.010 0.000 1.252 368 Y CB 1.212 39.671 38.460 -0.002 0.000 1.123 368 Y HN 0.300 nan 8.280 nan 0.000 0.524 369 G N -0.291 108.552 108.800 0.071 0.000 2.148 369 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.203 369 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.203 369 G C -0.476 174.459 174.900 0.059 0.000 0.993 369 G CA -0.352 44.782 45.100 0.057 0.000 0.661 369 G HN 0.197 nan 8.290 nan 0.000 0.518 370 D N -0.000 120.436 120.400 0.061 0.000 2.345 370 D HA 0.541 5.181 4.640 -0.000 0.000 0.247 370 D C 0.217 176.543 176.300 0.044 0.000 1.108 370 D CA 0.087 54.121 54.000 0.057 0.000 0.894 370 D CB 1.993 42.827 40.800 0.056 0.000 1.203 370 D HN 0.295 nan 8.370 nan 0.000 0.430 371 L N 1.066 122.325 121.223 0.060 0.000 2.365 371 L HA 0.671 5.011 4.340 -0.000 0.000 0.273 371 L C -1.365 175.566 176.870 0.102 0.000 1.000 371 L CA -0.820 54.060 54.840 0.067 0.000 0.819 371 L CB 1.832 43.934 42.059 0.073 0.000 1.284 371 L HN 0.376 nan 8.230 nan 0.000 0.418 372 A N 3.773 126.649 122.820 0.093 0.000 2.410 372 A HA 0.662 4.982 4.320 -0.000 0.000 0.289 372 A C -0.524 177.128 177.584 0.114 0.000 1.200 372 A CA -0.300 51.805 52.037 0.115 0.000 0.751 372 A CB 0.247 19.276 19.000 0.048 0.000 1.161 372 A HN 0.804 nan 8.150 nan 0.000 0.459 373 N N 1.391 120.213 118.700 0.204 0.000 2.261 373 N HA -0.007 4.733 4.740 -0.000 0.000 0.241 373 N C 0.210 175.879 175.510 0.266 0.000 1.374 373 N CA 0.111 53.266 53.050 0.175 0.000 0.802 373 N CB -0.098 38.477 38.487 0.146 0.000 1.339 373 N HN 0.824 nan 8.380 nan 0.000 0.498 374 W N -0.132 121.204 121.300 0.059 0.000 2.974 374 W HA 0.537 5.197 4.660 0.000 0.000 0.250 374 W C -0.724 175.845 176.519 0.083 0.000 1.074 374 W CA -0.236 57.156 57.345 0.079 0.000 1.410 374 W CB 0.351 29.862 29.460 0.085 0.000 0.846 374 W HN -0.071 nan 8.180 nan 0.000 0.680 375 M N 2.035 121.137 119.600 -0.830 0.000 2.326 375 M HA 0.513 4.993 4.480 -0.000 0.000 0.306 375 M C -1.918 174.133 176.300 -0.415 0.000 1.054 375 M CA -0.558 54.259 55.300 -0.804 0.000 0.922 375 M CB 2.345 34.028 32.600 -1.529 0.000 1.632 375 M HN -0.104 nan 8.290 nan 0.000 0.436 376 I N 7.524 127.950 120.570 -0.239 0.000 2.405 376 I HA 0.363 4.533 4.170 -0.000 0.000 0.280 376 I C -2.055 173.986 176.117 -0.127 0.000 1.027 376 I CA -1.897 59.316 61.300 -0.145 0.000 1.161 376 I CB 1.528 39.478 38.000 -0.082 0.000 1.300 376 I HN 0.451 nan 8.210 nan 0.000 0.463 377 P HA 0.008 nan 4.420 nan 0.000 0.262 377 P C 0.871 178.131 177.300 -0.067 0.000 1.199 377 P CA 0.884 63.933 63.100 -0.086 0.000 0.763 377 P CB 0.881 32.537 31.700 -0.073 0.000 0.790 378 G N 3.642 112.402 108.800 -0.068 0.000 2.199 378 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 378 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 378 G C 0.797 175.646 174.900 -0.084 0.000 0.982 378 G CA 0.580 45.631 45.100 -0.081 0.000 0.632 378 G HN 0.554 nan 8.290 nan 0.000 0.529 379 K N -1.875 118.482 120.400 -0.072 0.000 2.585 379 K HA 0.478 4.798 4.320 -0.000 0.000 0.198 379 K C -0.263 176.313 176.600 -0.040 0.000 1.403 379 K CA 0.054 56.307 56.287 -0.056 0.000 1.021 379 K CB 0.777 33.251 32.500 -0.043 0.000 1.558 379 K HN 0.198 nan 8.250 nan 0.000 0.524 380 L N 1.660 122.861 121.223 -0.036 0.000 2.404 380 L HA 0.382 4.722 4.340 -0.000 0.000 0.272 380 L C -1.679 175.193 176.870 0.003 0.000 0.980 380 L CA -0.593 54.245 54.840 -0.003 0.000 0.836 380 L CB 2.168 44.233 42.059 0.011 0.000 1.238 380 L HN -0.174 nan 8.230 nan 0.000 0.408 381 V N 5.851 125.809 119.914 0.074 0.000 2.558 381 V HA 0.437 4.557 4.120 -0.000 0.000 0.261 381 V C 0.124 176.372 176.094 0.257 0.000 0.958 381 V CA -0.534 61.862 62.300 0.159 0.000 0.852 381 V CB 0.787 32.746 31.823 0.227 0.000 1.067 381 V HN 0.625 nan 8.190 nan 0.000 0.468 382 K N 2.056 122.568 120.400 0.187 0.000 2.447 382 K HA 0.552 4.872 4.320 -0.000 0.000 0.205 382 K C 0.728 177.339 176.600 0.019 0.000 1.059 382 K CA 0.496 56.794 56.287 0.017 0.000 1.065 382 K CB 1.518 33.931 32.500 -0.144 0.000 0.885 382 K HN 0.952 nan 8.250 nan 0.000 0.545 383 G N 1.983 110.969 108.800 0.310 0.000 2.555 383 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 383 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 383 G C 0.226 175.399 174.900 0.456 0.000 1.275 383 G CA -0.166 45.133 45.100 0.332 0.000 0.871 383 G HN 0.028 nan 8.290 nan 0.000 0.603 384 M N 0.514 120.197 119.600 0.140 0.000 2.371 384 M HA 0.431 4.911 4.480 -0.000 0.000 0.246 384 M C 1.429 177.755 176.300 0.044 0.000 1.103 384 M CA 1.638 56.936 55.300 -0.003 0.000 1.010 384 M CB -0.962 31.248 32.600 -0.650 0.000 1.457 384 M HN 2.777 nan 8.290 nan 0.000 0.486 385 G N 1.826 110.686 108.800 0.100 0.000 2.611 385 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.301 385 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.301 385 G C 0.631 175.586 174.900 0.091 0.000 1.233 385 G CA 0.461 45.627 45.100 0.109 0.000 0.993 385 G HN 0.866 nan 8.290 nan 0.000 0.553 386 G N -0.052 108.863 108.800 0.192 0.000 3.233 386 G HA2 0.574 4.534 3.960 -0.000 0.000 0.234 386 G HA3 0.574 4.534 3.960 -0.000 0.000 0.234 386 G C 1.642 176.676 174.900 0.224 0.000 1.137 386 G CA 1.714 46.989 45.100 0.292 0.000 0.763 386 G HN 1.664 nan 8.290 nan 0.000 0.549 387 A N 1.191 124.082 122.820 0.120 0.000 1.917 387 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 387 A C 2.325 179.945 177.584 0.060 0.000 1.182 387 A CA 1.675 53.766 52.037 0.090 0.000 0.633 387 A CB -0.343 18.703 19.000 0.077 0.000 0.819 387 A HN 0.409 nan 8.150 nan 0.000 0.448 388 M N -0.868 118.726 119.600 -0.009 0.000 2.229 388 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 388 M C 1.334 177.669 176.300 0.058 0.000 1.063 388 M CA 1.365 56.654 55.300 -0.018 0.000 1.114 388 M CB -0.485 32.048 32.600 -0.112 0.000 1.387 388 M HN 0.391 nan 8.290 nan 0.000 0.420 389 D N 0.561 121.028 120.400 0.111 0.000 2.194 389 D HA -0.034 4.606 4.640 -0.000 0.000 0.204 389 D C 2.013 178.434 176.300 0.202 0.000 0.964 389 D CA 1.085 55.204 54.000 0.198 0.000 0.846 389 D CB 0.061 41.068 40.800 0.346 0.000 0.962 389 D HN 0.359 nan 8.370 nan 0.000 0.490 390 L N 0.924 122.258 121.223 0.185 0.000 2.362 390 L HA -0.090 4.250 4.340 -0.000 0.000 0.219 390 L C 1.982 178.909 176.870 0.094 0.000 1.134 390 L CA 0.561 55.479 54.840 0.129 0.000 0.807 390 L CB 0.121 42.250 42.059 0.117 0.000 0.927 390 L HN -0.003 nan 8.230 nan 0.000 0.447 391 V N -5.339 114.629 119.914 0.090 0.000 3.176 391 V HA 0.178 4.298 4.120 -0.000 0.000 0.332 391 V C 1.697 177.834 176.094 0.072 0.000 1.414 391 V CA 0.449 62.792 62.300 0.072 0.000 1.133 391 V CB 0.240 32.104 31.823 0.068 0.000 1.088 391 V HN 0.311 nan 8.190 nan 0.000 0.473 392 S N -0.498 115.253 115.700 0.084 0.000 2.478 392 S HA 0.121 4.591 4.470 -0.000 0.000 0.222 392 S C 1.192 175.831 174.600 0.065 0.000 1.008 392 S CA 0.777 59.026 58.200 0.081 0.000 0.928 392 S CB -0.124 63.142 63.200 0.109 0.000 0.781 392 S HN 0.643 nan 8.310 nan 0.000 0.518 393 S N 0.732 116.470 115.700 0.064 0.000 2.489 393 S HA 0.665 5.134 4.470 -0.000 0.000 0.277 393 S C 1.053 175.671 174.600 0.031 0.000 1.230 393 S CA -0.202 58.026 58.200 0.047 0.000 1.053 393 S CB 1.038 64.258 63.200 0.033 0.000 0.955 393 S HN 0.515 nan 8.310 nan 0.000 0.488 394 A N 5.079 127.914 122.820 0.024 0.000 2.121 394 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 394 A C 1.853 179.446 177.584 0.014 0.000 1.154 394 A CA 0.977 53.025 52.037 0.019 0.000 0.679 394 A CB -0.220 18.790 19.000 0.017 0.000 0.795 394 A HN 0.883 nan 8.150 nan 0.000 0.458 395 K N -0.438 119.965 120.400 0.004 0.000 2.400 395 K HA 0.043 4.362 4.320 -0.000 0.000 0.194 395 K C -0.301 176.301 176.600 0.004 0.000 1.033 395 K CA 0.416 56.700 56.287 -0.006 0.000 1.021 395 K CB 0.202 32.678 32.500 -0.039 0.000 0.808 395 K HN 0.289 nan 8.250 nan 0.000 0.505 396 T N 1.975 116.537 114.554 0.013 0.000 2.744 396 T HA 0.110 4.460 4.350 -0.000 0.000 0.291 396 T C -0.386 174.330 174.700 0.026 0.000 0.957 396 T CA -0.458 61.657 62.100 0.024 0.000 1.002 396 T CB 1.382 70.269 68.868 0.032 0.000 0.919 396 T HN 0.027 nan 8.240 nan 0.000 0.468 397 K N 3.425 123.839 120.400 0.024 0.000 2.339 397 K HA 0.349 4.668 4.320 -0.000 0.000 0.286 397 K C -0.940 175.668 176.600 0.015 0.000 1.050 397 K CA -0.397 55.900 56.287 0.017 0.000 0.956 397 K CB 0.393 32.898 32.500 0.008 0.000 0.990 397 K HN 0.314 nan 8.250 nan 0.000 0.475 398 V N 5.551 125.476 119.914 0.018 0.000 2.357 398 V HA 0.251 4.371 4.120 -0.000 0.000 0.284 398 V C -0.507 175.593 176.094 0.010 0.000 1.018 398 V CA -0.888 61.423 62.300 0.019 0.000 0.841 398 V CB 1.512 33.355 31.823 0.033 0.000 0.991 398 V HN 0.526 nan 8.190 nan 0.000 0.437 399 V N 5.961 125.873 119.914 -0.004 0.000 2.417 399 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 399 V C -0.096 175.998 176.094 -0.001 0.000 1.024 399 V CA -0.595 61.697 62.300 -0.013 0.000 0.861 399 V CB 2.060 33.851 31.823 -0.053 0.000 0.985 399 V HN 0.592 nan 8.190 nan 0.000 0.436 400 V N 4.402 124.322 119.914 0.009 0.000 2.427 400 V HA 0.532 4.652 4.120 -0.000 0.000 0.286 400 V C 0.360 176.462 176.094 0.013 0.000 1.034 400 V CA -0.340 61.969 62.300 0.015 0.000 0.893 400 V CB 2.063 33.895 31.823 0.015 0.000 0.982 400 V HN 1.023 nan 8.190 nan 0.000 0.452 401 T N 4.058 118.621 114.554 0.016 0.000 2.791 401 T HA 0.836 5.186 4.350 -0.000 0.000 0.288 401 T C -0.678 174.033 174.700 0.019 0.000 0.999 401 T CA -0.668 61.441 62.100 0.016 0.000 0.952 401 T CB 1.110 69.988 68.868 0.017 0.000 0.938 401 T HN 0.759 nan 8.240 nan 0.000 0.444 402 M N 0.280 119.889 119.600 0.015 0.000 2.682 402 M HA 0.624 5.104 4.480 -0.000 0.000 0.272 402 M C -1.097 175.211 176.300 0.013 0.000 1.232 402 M CA -1.033 54.274 55.300 0.012 0.000 0.849 402 M CB 1.735 34.337 32.600 0.003 0.000 1.695 402 M HN 0.399 nan 8.290 nan 0.000 0.481 403 E N 0.592 120.801 120.200 0.014 0.000 2.392 403 E HA 0.015 4.365 4.350 -0.000 0.000 0.264 403 E C 0.093 176.722 176.600 0.049 0.000 1.024 403 E CA 0.336 56.754 56.400 0.029 0.000 0.903 403 E CB 0.704 30.417 29.700 0.023 0.000 0.963 403 E HN 0.800 nan 8.360 nan 0.000 0.432 404 H N 1.344 120.419 119.070 0.008 0.000 2.353 404 H HA -0.036 4.520 4.556 -0.000 0.000 0.300 404 H C -0.148 175.210 175.328 0.049 0.000 1.090 404 H CA 1.589 57.658 56.048 0.035 0.000 1.327 404 H CB 0.446 30.230 29.762 0.037 0.000 1.383 404 H HN 0.175 nan 8.280 nan 0.000 0.508 405 S N -0.868 114.931 115.700 0.165 0.000 2.568 405 S HA 0.646 5.116 4.470 -0.000 0.000 0.293 405 S C -0.886 173.750 174.600 0.060 0.000 1.089 405 S CA -0.484 57.789 58.200 0.123 0.000 0.945 405 S CB 2.040 65.336 63.200 0.160 0.000 1.077 405 S HN 0.500 nan 8.310 nan 0.000 0.485 406 A N 2.030 124.873 122.820 0.038 0.000 2.438 406 A HA 0.440 4.760 4.320 -0.000 0.000 0.280 406 A C 0.703 178.294 177.584 0.011 0.000 1.160 406 A CA -0.059 51.988 52.037 0.017 0.000 0.821 406 A CB -0.779 18.225 19.000 0.007 0.000 1.101 406 A HN 0.912 nan 8.150 nan 0.000 0.515 407 K N 1.410 121.817 120.400 0.011 0.000 3.341 407 K HA -0.219 4.101 4.320 -0.000 0.000 0.305 407 K C 0.842 177.447 176.600 0.008 0.000 1.270 407 K CA 0.915 57.205 56.287 0.006 0.000 0.897 407 K CB -1.959 30.541 32.500 0.001 0.000 1.264 407 K HN 2.318 nan 8.250 nan 0.000 0.468 408 G N 0.027 108.838 108.800 0.018 0.000 2.142 408 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.225 408 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.225 408 G C 0.128 175.041 174.900 0.022 0.000 1.015 408 G CA 0.848 45.961 45.100 0.021 0.000 0.716 408 G HN 0.480 nan 8.290 nan 0.000 0.508 409 N N -0.732 117.979 118.700 0.019 0.000 3.296 409 N HA 0.481 5.221 4.740 -0.000 0.000 0.266 409 N C 1.228 176.722 175.510 -0.027 0.000 0.984 409 N CA 1.337 54.386 53.050 -0.002 0.000 1.228 409 N CB -0.404 38.073 38.487 -0.018 0.000 1.239 409 N HN 1.025 nan 8.380 nan 0.000 1.043 410 A N 0.993 123.788 122.820 -0.043 0.000 2.445 410 A HA 0.242 4.562 4.320 -0.000 0.000 0.242 410 A C -0.592 176.989 177.584 -0.004 0.000 1.075 410 A CA -0.076 51.910 52.037 -0.086 0.000 0.777 410 A CB -0.330 18.637 19.000 -0.055 0.000 1.013 410 A HN 0.528 nan 8.150 nan 0.000 0.493 411 H N 1.162 120.239 119.070 0.012 0.000 2.897 411 H HA 0.118 4.673 4.556 -0.000 0.000 0.347 411 H C 0.699 176.008 175.328 -0.033 0.000 1.068 411 H CA 0.488 56.535 56.048 -0.002 0.000 1.426 411 H CB 0.812 30.572 29.762 -0.003 0.000 1.410 411 H HN 0.742 nan 8.280 nan 0.000 0.597 412 K N 1.939 122.376 120.400 0.061 0.000 2.424 412 K HA 0.263 4.583 4.320 -0.000 0.000 0.198 412 K C 0.340 176.889 176.600 -0.085 0.000 1.190 412 K CA 0.204 56.479 56.287 -0.021 0.000 0.935 412 K CB 0.976 33.448 32.500 -0.047 0.000 1.087 412 K HN 0.351 nan 8.250 nan 0.000 0.524 413 I N 4.161 124.630 120.570 -0.169 0.000 2.312 413 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 413 I C -0.051 175.942 176.117 -0.208 0.000 1.031 413 I CA -0.251 60.898 61.300 -0.252 0.000 1.293 413 I CB 0.695 38.433 38.000 -0.437 0.000 1.403 413 I HN 0.098 nan 8.210 nan 0.000 0.484 414 M N 2.893 122.398 119.600 -0.159 0.000 2.755 414 M HA 0.454 4.934 4.480 -0.000 0.000 0.273 414 M C 0.414 176.648 176.300 -0.110 0.000 1.278 414 M CA -0.765 54.465 55.300 -0.116 0.000 0.819 414 M CB 2.001 34.577 32.600 -0.040 0.000 1.694 414 M HN 0.353 nan 8.290 nan 0.000 0.460 415 E N 1.148 121.301 120.200 -0.078 0.000 2.058 415 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 415 E C -0.352 176.238 176.600 -0.017 0.000 0.997 415 E CA 1.500 57.862 56.400 -0.063 0.000 0.801 415 E CB 0.533 30.218 29.700 -0.025 0.000 0.746 415 E HN 0.419 nan 8.360 nan 0.000 0.450 416 K N -0.045 120.354 120.400 -0.001 0.000 2.501 416 K HA 0.277 4.597 4.320 -0.000 0.000 0.252 416 K C -1.058 175.546 176.600 0.006 0.000 0.934 416 K CA -0.702 55.596 56.287 0.018 0.000 0.797 416 K CB 1.509 34.027 32.500 0.030 0.000 1.270 416 K HN 0.071 nan 8.250 nan 0.000 0.431 417 C N 1.549 120.854 119.300 0.009 0.000 2.652 417 C HA 0.159 4.619 4.460 -0.000 0.000 0.412 417 C C 2.150 177.142 174.990 0.003 0.000 1.294 417 C CA -0.106 58.914 59.018 0.004 0.000 2.127 417 C CB 0.018 27.765 27.740 0.011 0.000 2.691 417 C HN 0.915 nan 8.230 nan 0.000 0.615 418 T N -0.382 114.170 114.554 -0.003 0.000 3.040 418 T HA 0.187 4.537 4.350 -0.000 0.000 0.252 418 T C 0.444 175.131 174.700 -0.022 0.000 1.064 418 T CA 0.247 62.341 62.100 -0.009 0.000 1.110 418 T CB -0.119 68.744 68.868 -0.009 0.000 0.921 418 T HN 0.517 nan 8.240 nan 0.000 0.480 419 L N 1.755 122.961 121.223 -0.029 0.000 2.421 419 L HA 0.450 4.790 4.340 -0.000 0.000 0.263 419 L C -2.372 174.466 176.870 -0.055 0.000 1.122 419 L CA -2.652 52.152 54.840 -0.059 0.000 0.804 419 L CB 0.101 42.119 42.059 -0.069 0.000 1.150 419 L HN -0.095 nan 8.230 nan 0.000 0.457 420 P HA 0.043 nan 4.420 nan 0.000 0.265 420 P C -0.688 176.660 177.300 0.081 0.000 1.193 420 P CA 0.122 63.189 63.100 -0.055 0.000 0.765 420 P CB 0.366 31.922 31.700 -0.239 0.000 0.823 421 L N 2.342 123.679 121.223 0.191 0.000 2.417 421 L HA 0.145 4.485 4.340 -0.000 0.000 0.268 421 L C 1.533 178.646 176.870 0.406 0.000 1.158 421 L CA 0.177 55.154 54.840 0.230 0.000 0.819 421 L CB 0.333 42.461 42.059 0.115 0.000 1.112 421 L HN 0.430 nan 8.230 nan 0.000 0.458 422 T N 0.197 114.929 114.554 0.296 0.000 3.042 422 T HA 0.206 4.555 4.350 -0.000 0.000 0.245 422 T C 0.474 175.219 174.700 0.075 0.000 1.029 422 T CA 0.512 62.726 62.100 0.190 0.000 1.120 422 T CB 0.593 69.586 68.868 0.208 0.000 0.917 422 T HN 0.794 nan 8.240 nan 0.000 0.467 423 G N 0.456 109.309 108.800 0.090 0.000 2.692 423 G HA2 0.611 4.571 3.960 -0.000 0.000 0.291 423 G HA3 0.611 4.571 3.960 -0.000 0.000 0.291 423 G C -1.940 172.998 174.900 0.063 0.000 1.423 423 G CA -0.653 44.487 45.100 0.067 0.000 0.843 423 G HN 0.100 nan 8.290 nan 0.000 0.486 424 K N 0.432 120.871 120.400 0.066 0.000 2.292 424 K HA 0.409 4.729 4.320 -0.000 0.000 0.257 424 K C -0.095 176.554 176.600 0.081 0.000 0.940 424 K CA -0.417 55.907 56.287 0.062 0.000 0.811 424 K CB 0.888 33.409 32.500 0.036 0.000 1.120 424 K HN 0.621 nan 8.250 nan 0.000 0.428 425 Q N 1.870 121.718 119.800 0.081 0.000 2.431 425 Q HA -0.250 4.089 4.340 -0.000 0.000 0.344 425 Q C 0.304 176.347 176.000 0.072 0.000 1.384 425 Q CA 0.642 56.497 55.803 0.087 0.000 0.984 425 Q CB -2.194 26.592 28.738 0.080 0.000 1.204 425 Q HN 0.823 nan 8.270 nan 0.000 0.392 426 C N -4.803 114.536 119.300 0.066 0.000 3.559 426 C HA 0.467 4.927 4.460 -0.000 0.000 0.314 426 C C 0.852 175.872 174.990 0.049 0.000 1.419 426 C CA -0.434 58.619 59.018 0.057 0.000 1.775 426 C CB -0.111 27.666 27.740 0.061 0.000 2.430 426 C HN 0.306 nan 8.230 nan 0.000 0.686 427 V N 3.502 123.444 119.914 0.047 0.000 2.498 427 V HA 0.252 4.372 4.120 -0.000 0.000 0.279 427 V C 0.385 176.501 176.094 0.036 0.000 1.048 427 V CA 0.572 62.893 62.300 0.036 0.000 0.967 427 V CB 1.019 32.857 31.823 0.025 0.000 0.988 427 V HN 0.479 nan 8.190 nan 0.000 0.473 428 N N 2.734 121.453 118.700 0.032 0.000 2.414 428 N HA 0.199 4.939 4.740 -0.000 0.000 0.177 428 N C 0.527 176.058 175.510 0.036 0.000 1.062 428 N CA -0.068 53.002 53.050 0.034 0.000 0.890 428 N CB 0.543 39.046 38.487 0.027 0.000 1.070 428 N HN 0.622 nan 8.380 nan 0.000 0.454 429 R N 0.635 121.154 120.500 0.032 0.000 2.626 429 R HA 0.480 4.820 4.340 -0.000 0.000 0.274 429 R C -2.045 174.283 176.300 0.047 0.000 1.031 429 R CA -0.476 55.649 56.100 0.043 0.000 0.898 429 R CB 1.288 31.600 30.300 0.020 0.000 1.222 429 R HN -0.086 nan 8.270 nan 0.000 0.455 430 I N 5.218 125.844 120.570 0.093 0.000 2.436 430 I HA 0.410 4.580 4.170 -0.000 0.000 0.289 430 I C -0.459 175.727 176.117 0.115 0.000 1.010 430 I CA -0.766 60.595 61.300 0.101 0.000 1.098 430 I CB 2.018 40.095 38.000 0.128 0.000 1.266 430 I HN 0.451 nan 8.210 nan 0.000 0.434 431 I N 5.693 126.300 120.570 0.062 0.000 2.389 431 I HA 0.408 4.578 4.170 -0.000 0.000 0.288 431 I C 0.238 176.384 176.117 0.048 0.000 0.999 431 I CA -0.199 61.124 61.300 0.040 0.000 1.129 431 I CB 2.036 40.039 38.000 0.006 0.000 1.288 431 I HN 0.646 nan 8.210 nan 0.000 0.444 432 T N 0.970 115.565 114.554 0.068 0.000 2.858 432 T HA 0.279 4.629 4.350 -0.000 0.000 0.285 432 T C 0.808 175.520 174.700 0.020 0.000 1.052 432 T CA -0.636 61.514 62.100 0.084 0.000 1.009 432 T CB 1.734 70.747 68.868 0.242 0.000 1.241 432 T HN 0.620 nan 8.240 nan 0.000 0.542 433 E N 0.513 120.699 120.200 -0.023 0.000 2.347 433 E HA -0.047 4.303 4.350 -0.000 0.000 0.196 433 E C 1.109 177.577 176.600 -0.220 0.000 1.008 433 E CA 0.891 57.184 56.400 -0.178 0.000 0.852 433 E CB -0.100 29.469 29.700 -0.218 0.000 0.783 433 E HN 0.778 nan 8.360 nan 0.000 0.505 434 K N -0.057 120.294 120.400 -0.081 0.000 2.365 434 K HA 0.391 4.711 4.320 -0.000 0.000 0.195 434 K C 0.648 177.228 176.600 -0.034 0.000 1.079 434 K CA 0.593 56.834 56.287 -0.076 0.000 0.979 434 K CB 1.154 33.511 32.500 -0.238 0.000 0.929 434 K HN 0.154 nan 8.250 nan 0.000 0.523 435 A N 0.481 123.276 122.820 -0.042 0.000 2.581 435 A HA 0.648 4.968 4.320 -0.000 0.000 0.290 435 A C -1.630 175.819 177.584 -0.225 0.000 1.119 435 A CA -0.617 51.291 52.037 -0.215 0.000 0.670 435 A CB 1.661 20.357 19.000 -0.507 0.000 1.280 435 A HN -0.117 nan 8.150 nan 0.000 0.425 436 V N 0.545 120.224 119.914 -0.391 0.000 2.525 436 V HA 0.590 4.710 4.120 -0.000 0.000 0.299 436 V C -1.527 174.339 176.094 -0.381 0.000 1.034 436 V CA -0.193 61.964 62.300 -0.239 0.000 0.863 436 V CB 1.156 32.911 31.823 -0.114 0.000 0.999 436 V HN 0.671 nan 8.190 nan 0.000 0.423 437 F N 1.831 121.748 119.950 -0.055 0.000 2.508 437 F HA 0.601 5.127 4.527 -0.000 0.000 0.325 437 F C 0.265 176.042 175.800 -0.037 0.000 1.090 437 F CA -0.676 57.285 58.000 -0.065 0.000 0.945 437 F CB 1.661 40.602 39.000 -0.099 0.000 1.156 437 F HN 0.362 nan 8.300 nan 0.000 0.463 438 D N 1.649 122.156 120.400 0.179 0.000 2.175 438 D HA 0.533 5.173 4.640 -0.000 0.000 0.248 438 D C -0.810 175.554 176.300 0.107 0.000 1.047 438 D CA -0.063 54.001 54.000 0.105 0.000 0.883 438 D CB 2.154 42.998 40.800 0.073 0.000 1.180 438 D HN 0.102 nan 8.370 nan 0.000 0.438 439 V N 1.831 121.788 119.914 0.071 0.000 2.513 439 V HA 0.394 4.514 4.120 -0.000 0.000 0.299 439 V C -0.398 175.734 176.094 0.063 0.000 1.035 439 V CA -0.804 61.525 62.300 0.048 0.000 0.889 439 V CB 2.016 33.854 31.823 0.025 0.000 0.988 439 V HN 0.456 nan 8.190 nan 0.000 0.440 440 D N 1.981 122.430 120.400 0.080 0.000 2.593 440 D HA 0.365 5.005 4.640 -0.000 0.000 0.251 440 D C 1.278 177.688 176.300 0.183 0.000 1.140 440 D CA -0.726 53.339 54.000 0.108 0.000 0.855 440 D CB 1.466 42.327 40.800 0.102 0.000 1.267 440 D HN 0.567 nan 8.370 nan 0.000 0.532 441 R N 2.723 123.314 120.500 0.151 0.000 2.276 441 R HA -0.162 4.178 4.340 -0.000 0.000 0.243 441 R C 0.681 177.068 176.300 0.145 0.000 1.161 441 R CA 1.229 57.426 56.100 0.162 0.000 1.007 441 R CB -0.027 30.317 30.300 0.074 0.000 0.867 441 R HN 0.311 nan 8.270 nan 0.000 0.472 442 K N 0.552 121.046 120.400 0.156 0.000 2.403 442 K HA 0.061 4.381 4.320 -0.000 0.000 0.199 442 K C 1.465 178.213 176.600 0.246 0.000 1.199 442 K CA 0.606 56.951 56.287 0.098 0.000 0.924 442 K CB 0.538 33.062 32.500 0.039 0.000 1.137 442 K HN 0.242 nan 8.250 nan 0.000 0.510 443 K N 0.327 120.867 120.400 0.234 0.000 2.358 443 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 443 K C 0.737 177.430 176.600 0.155 0.000 1.025 443 K CA 0.452 56.857 56.287 0.196 0.000 1.104 443 K CB 0.834 33.402 32.500 0.112 0.000 0.855 443 K HN 0.139 nan 8.250 nan 0.000 0.531 444 G N 1.648 110.527 108.800 0.133 0.000 2.512 444 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.240 444 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.240 444 G C -0.707 174.149 174.900 -0.073 0.000 1.246 444 G CA -0.279 44.702 45.100 -0.199 0.000 0.919 444 G HN 0.141 nan 8.290 nan 0.000 0.577 445 L N 0.521 121.695 121.223 -0.083 0.000 2.357 445 L HA 0.646 4.986 4.340 -0.000 0.000 0.273 445 L C 0.302 177.288 176.870 0.193 0.000 1.080 445 L CA -0.394 54.459 54.840 0.022 0.000 0.803 445 L CB 1.730 43.710 42.059 -0.132 0.000 1.174 445 L HN 0.625 nan 8.230 nan 0.000 0.443 446 T N 3.252 117.962 114.554 0.261 0.000 2.965 446 T HA 0.279 4.629 4.350 -0.000 0.000 0.306 446 T C -0.601 174.250 174.700 0.251 0.000 0.991 446 T CA -0.432 61.822 62.100 0.256 0.000 1.001 446 T CB 1.332 70.288 68.868 0.147 0.000 0.984 446 T HN 0.237 nan 8.240 nan 0.000 0.446 447 L N 6.183 127.536 121.223 0.217 0.000 2.456 447 L HA 0.414 4.754 4.340 -0.000 0.000 0.277 447 L C 0.928 177.750 176.870 -0.080 0.000 1.124 447 L CA 0.283 55.038 54.840 -0.141 0.000 0.880 447 L CB -0.195 41.761 42.059 -0.171 0.000 1.192 447 L HN 0.776 nan 8.230 nan 0.000 0.463 448 I N 0.064 120.555 120.570 -0.133 0.000 4.187 448 I HA 0.424 4.594 4.170 -0.000 0.000 0.326 448 I C 0.036 176.098 176.117 -0.092 0.000 1.302 448 I CA -0.105 61.154 61.300 -0.070 0.000 1.196 448 I CB 0.222 38.201 38.000 -0.034 0.000 1.095 448 I HN 0.490 nan 8.210 nan 0.000 0.411 449 E N 1.715 121.823 120.200 -0.153 0.000 2.331 449 E HA 0.612 4.962 4.350 -0.000 0.000 0.275 449 E C -1.871 174.636 176.600 -0.156 0.000 0.895 449 E CA -0.804 55.524 56.400 -0.120 0.000 0.753 449 E CB 3.423 33.074 29.700 -0.082 0.000 1.216 449 E HN 0.080 nan 8.360 nan 0.000 0.434 450 L N 2.813 123.979 121.223 -0.095 0.000 2.438 450 L HA 0.382 4.722 4.340 -0.000 0.000 0.270 450 L C -1.145 175.726 176.870 0.002 0.000 0.972 450 L CA -0.418 54.381 54.840 -0.068 0.000 0.831 450 L CB 1.305 43.321 42.059 -0.072 0.000 1.273 450 L HN 0.658 nan 8.230 nan 0.000 0.405 451 W N 5.567 126.799 121.300 -0.113 0.000 2.231 451 W HA 0.122 4.782 4.660 -0.000 0.000 0.341 451 W C 0.321 176.800 176.519 -0.067 0.000 1.298 451 W CA 0.074 57.369 57.345 -0.084 0.000 1.266 451 W CB 0.728 30.140 29.460 -0.080 0.000 1.172 451 W HN 0.883 nan 8.180 nan 0.000 0.568 452 E N 3.404 123.073 120.200 -0.885 0.000 2.437 452 E HA 0.256 4.606 4.350 -0.000 0.000 0.263 452 E C 0.970 177.359 176.600 -0.351 0.000 1.030 452 E CA 0.835 56.878 56.400 -0.594 0.000 0.934 452 E CB 0.496 29.797 29.700 -0.664 0.000 0.943 452 E HN 0.764 nan 8.360 nan 0.000 0.444 453 G N 2.790 111.499 108.800 -0.151 0.000 2.225 453 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 453 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 453 G C 0.055 174.971 174.900 0.026 0.000 0.988 453 G CA 0.274 45.355 45.100 -0.031 0.000 0.625 453 G HN 0.448 nan 8.290 nan 0.000 0.527 454 L N 1.529 122.773 121.223 0.035 0.000 2.331 454 L HA 0.719 5.059 4.340 -0.000 0.000 0.275 454 L C 0.961 177.842 176.870 0.018 0.000 1.022 454 L CA -0.341 54.528 54.840 0.049 0.000 0.812 454 L CB 2.026 44.137 42.059 0.086 0.000 1.257 454 L HN 0.351 nan 8.230 nan 0.000 0.435 455 T N -1.796 112.772 114.554 0.024 0.000 2.952 455 T HA 0.330 4.680 4.350 -0.000 0.000 0.286 455 T C 1.084 175.814 174.700 0.050 0.000 1.024 455 T CA -0.824 61.292 62.100 0.027 0.000 1.029 455 T CB 1.723 70.608 68.868 0.027 0.000 1.094 455 T HN 0.188 nan 8.240 nan 0.000 0.515 456 V N 0.949 120.906 119.914 0.072 0.000 2.453 456 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 456 V C 2.436 178.629 176.094 0.165 0.000 1.068 456 V CA 2.281 64.669 62.300 0.146 0.000 1.070 456 V CB -1.045 30.869 31.823 0.152 0.000 0.664 456 V HN 0.986 nan 8.190 nan 0.000 0.461 457 D N -0.097 120.362 120.400 0.098 0.000 2.144 457 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 457 D C 1.911 178.266 176.300 0.091 0.000 0.984 457 D CA 1.124 55.176 54.000 0.087 0.000 0.834 457 D CB -0.137 40.695 40.800 0.053 0.000 0.955 457 D HN 0.444 nan 8.370 nan 0.000 0.465 458 D N -0.260 120.181 120.400 0.068 0.000 2.218 458 D HA -0.112 4.527 4.640 -0.000 0.000 0.204 458 D C 1.871 178.194 176.300 0.038 0.000 0.976 458 D CA 0.496 54.522 54.000 0.044 0.000 0.853 458 D CB 0.200 41.012 40.800 0.019 0.000 0.939 458 D HN 0.314 nan 8.370 nan 0.000 0.481 459 I N 1.010 121.626 120.570 0.076 0.000 2.480 459 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 459 I C 2.105 178.388 176.117 0.277 0.000 1.124 459 I CA 0.755 62.109 61.300 0.089 0.000 1.444 459 I CB -0.602 37.438 38.000 0.067 0.000 1.098 459 I HN -0.061 nan 8.210 nan 0.000 0.428 460 K N 1.539 122.143 120.400 0.340 0.000 2.217 460 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 460 K C 1.725 178.438 176.600 0.189 0.000 1.051 460 K CA 0.933 57.411 56.287 0.318 0.000 0.952 460 K CB -0.052 32.553 32.500 0.173 0.000 0.736 460 K HN 0.451 nan 8.250 nan 0.000 0.453 461 K N -0.419 120.081 120.400 0.167 0.000 2.404 461 K HA 0.162 4.482 4.320 -0.000 0.000 0.194 461 K C 1.073 177.835 176.600 0.269 0.000 1.023 461 K CA 0.535 56.929 56.287 0.178 0.000 1.094 461 K CB 0.635 33.210 32.500 0.125 0.000 0.841 461 K HN -0.197 nan 8.250 nan 0.000 0.523 462 S N 0.344 116.189 115.700 0.242 0.000 2.559 462 S HA 0.117 4.587 4.470 -0.000 0.000 0.226 462 S C -0.322 174.464 174.600 0.310 0.000 1.000 462 S CA -0.340 58.058 58.200 0.329 0.000 0.948 462 S CB 0.876 64.174 63.200 0.164 0.000 0.870 462 S HN 0.260 nan 8.310 nan 0.000 0.497 463 T N 0.394 114.972 114.554 0.040 0.000 2.841 463 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 463 T C 1.100 175.432 174.700 -0.613 0.000 1.000 463 T CA -0.558 61.430 62.100 -0.186 0.000 0.977 463 T CB 1.732 70.665 68.868 0.107 0.000 0.979 463 T HN 0.161 nan 8.240 nan 0.000 0.446 464 G N 0.591 108.966 108.800 -0.709 0.000 2.813 464 G HA2 0.178 4.138 3.960 -0.000 0.000 0.209 464 G HA3 0.178 4.138 3.960 -0.000 0.000 0.209 464 G C 0.708 175.505 174.900 -0.172 0.000 1.150 464 G CA 0.191 45.006 45.100 -0.474 0.000 0.785 464 G HN 0.923 nan 8.290 nan 0.000 0.535 465 C N -0.287 118.931 119.300 -0.137 0.000 2.973 465 C HA 0.775 5.235 4.460 -0.000 0.000 0.329 465 C C -0.306 174.686 174.990 0.004 0.000 1.327 465 C CA -1.234 57.738 59.018 -0.077 0.000 1.632 465 C CB 1.907 29.571 27.740 -0.127 0.000 2.098 465 C HN 0.339 nan 8.230 nan 0.000 0.469 466 D N 0.002 120.384 120.400 -0.029 0.000 2.387 466 D HA 0.717 5.357 4.640 -0.000 0.000 0.251 466 D C -0.584 175.735 176.300 0.031 0.000 1.141 466 D CA 0.014 53.967 54.000 -0.080 0.000 0.987 466 D CB 1.341 42.065 40.800 -0.126 0.000 1.116 466 D HN 0.883 nan 8.370 nan 0.000 0.491 467 F N -3.364 116.577 119.950 -0.016 0.000 2.719 467 F HA 0.663 5.190 4.527 -0.000 0.000 0.309 467 F C -1.432 174.400 175.800 0.054 0.000 1.138 467 F CA -1.452 56.559 58.000 0.018 0.000 0.943 467 F CB 0.920 39.980 39.000 0.099 0.000 1.304 467 F HN 0.522 nan 8.300 nan 0.000 0.445 468 A N 1.185 124.165 122.820 0.266 0.000 2.293 468 A HA 0.774 5.094 4.320 -0.000 0.000 0.302 468 A C -1.071 176.696 177.584 0.305 0.000 1.119 468 A CA -0.787 51.351 52.037 0.169 0.000 0.823 468 A CB 1.133 20.204 19.000 0.117 0.000 1.097 468 A HN 0.860 nan 8.150 nan 0.000 0.491 469 V N 1.782 121.807 119.914 0.186 0.000 2.370 469 V HA 0.365 4.485 4.120 -0.000 0.000 0.283 469 V C 0.761 176.916 176.094 0.101 0.000 1.023 469 V CA -0.421 61.988 62.300 0.182 0.000 0.857 469 V CB 1.316 33.224 31.823 0.143 0.000 0.985 469 V HN 0.975 nan 8.190 nan 0.000 0.443 470 S N 7.005 122.753 115.700 0.081 0.000 2.549 470 S HA 0.216 4.686 4.470 -0.000 0.000 0.283 470 S C -0.881 173.737 174.600 0.031 0.000 1.320 470 S CA -0.867 57.362 58.200 0.049 0.000 1.058 470 S CB 0.920 64.139 63.200 0.032 0.000 0.882 470 S HN 0.712 nan 8.310 nan 0.000 0.498 471 P HA 0.054 nan 4.420 nan 0.000 0.242 471 P C -0.070 177.234 177.300 0.007 0.000 1.197 471 P CA 0.694 63.804 63.100 0.015 0.000 0.765 471 P CB 0.016 31.724 31.700 0.014 0.000 0.936 472 K N -0.213 120.191 120.400 0.006 0.000 2.564 472 K HA 0.173 4.493 4.320 -0.000 0.000 0.205 472 K C 0.207 176.800 176.600 -0.011 0.000 1.053 472 K CA -0.790 55.495 56.287 -0.003 0.000 1.072 472 K CB 0.172 32.671 32.500 -0.002 0.000 0.822 472 K HN 0.011 nan 8.250 nan 0.000 0.497 473 L N 3.054 124.272 121.223 -0.009 0.000 2.628 473 L HA 0.044 4.384 4.340 -0.000 0.000 0.274 473 L C -0.161 176.689 176.870 -0.034 0.000 1.209 473 L CA 0.614 55.440 54.840 -0.022 0.000 0.930 473 L CB -0.095 41.956 42.059 -0.012 0.000 1.183 473 L HN 0.187 nan 8.230 nan 0.000 0.492 474 I N 3.992 124.535 120.570 -0.045 0.000 2.846 474 I HA 0.696 4.866 4.170 -0.000 0.000 0.307 474 I C -2.429 173.645 176.117 -0.072 0.000 1.053 474 I CA -2.508 58.760 61.300 -0.054 0.000 1.050 474 I CB 1.958 39.930 38.000 -0.047 0.000 1.239 474 I HN 0.416 nan 8.210 nan 0.000 0.439 475 P HA 0.036 nan 4.420 nan 0.000 0.269 475 P C -0.449 176.786 177.300 -0.108 0.000 1.209 475 P CA -0.187 62.832 63.100 -0.135 0.000 0.776 475 P CB 0.699 32.285 31.700 -0.190 0.000 0.876 476 M N 2.514 122.067 119.600 -0.079 0.000 2.260 476 M HA -0.049 4.431 4.480 -0.000 0.000 0.348 476 M C 0.489 176.791 176.300 0.003 0.000 1.342 476 M CA 0.637 55.947 55.300 0.016 0.000 1.040 476 M CB 0.036 32.755 32.600 0.200 0.000 1.810 476 M HN 0.323 nan 8.290 nan 0.000 0.453 477 Q N 3.457 123.263 119.800 0.010 0.000 2.368 477 Q HA 0.276 4.616 4.340 -0.000 0.000 0.237 477 Q C -0.980 175.043 176.000 0.038 0.000 0.987 477 Q CA -0.418 55.387 55.803 0.002 0.000 0.896 477 Q CB 0.912 29.646 28.738 -0.007 0.000 1.241 477 Q HN 0.552 nan 8.270 nan 0.000 0.485 478 Q N 0.890 120.701 119.800 0.017 0.000 2.268 478 Q HA 0.248 4.588 4.340 -0.000 0.000 0.266 478 Q C -1.221 174.764 176.000 -0.025 0.000 1.006 478 Q CA -0.486 55.324 55.803 0.010 0.000 0.824 478 Q CB 2.459 31.230 28.738 0.054 0.000 1.306 478 Q HN 0.554 nan 8.270 nan 0.000 0.424 479 V N 3.024 122.902 119.914 -0.059 0.000 2.673 479 V HA 0.082 4.202 4.120 -0.000 0.000 0.303 479 V C 0.103 176.170 176.094 -0.046 0.000 1.046 479 V CA 0.942 63.218 62.300 -0.039 0.000 1.126 479 V CB 0.858 32.660 31.823 -0.035 0.000 0.934 479 V HN 0.819 nan 8.190 nan 0.000 0.487 480 T N 0.000 114.556 114.554 0.004 0.000 3.816 480 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 480 T CA 0.000 62.110 62.100 0.016 0.000 1.349 480 T CB 0.000 68.879 68.868 0.019 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658