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 1zz3_1_C DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.640 177.584 0.093 0.000 1.274 2 A CA 0.000 52.083 52.037 0.076 0.000 0.836 2 A CB 0.000 19.040 19.000 0.066 0.000 0.831 3 I N 2.607 123.241 120.570 0.107 0.000 2.339 3 I HA 0.491 4.668 4.170 0.013 0.000 0.290 3 I C 1.049 177.261 176.117 0.158 0.000 0.994 3 I CA -0.250 61.131 61.300 0.135 0.000 1.191 3 I CB 0.950 39.030 38.000 0.134 0.000 1.343 3 I HN 0.735 nan 8.210 nan 0.000 0.458 4 G N 5.606 114.509 108.800 0.172 0.000 2.476 4 G HA2 0.333 4.301 3.960 0.013 0.000 0.269 4 G HA3 0.333 4.301 3.960 0.013 0.000 0.269 4 G C -1.593 173.480 174.900 0.288 0.000 1.195 4 G CA -0.053 45.159 45.100 0.186 0.000 0.843 4 G HN 0.534 nan 8.290 nan 0.000 0.545 5 Y N 1.027 121.401 120.300 0.122 0.000 2.401 5 Y HA 0.492 5.050 4.550 0.013 0.000 0.330 5 Y C -1.154 174.839 175.900 0.154 0.000 1.071 5 Y CA -1.002 57.191 58.100 0.154 0.000 1.049 5 Y CB 1.906 40.438 38.460 0.121 0.000 1.239 5 Y HN 0.460 nan 8.280 nan 0.000 0.437 6 V N 6.661 126.344 119.914 -0.385 0.000 2.409 6 V HA 0.369 4.497 4.120 0.013 0.000 0.291 6 V C -1.048 174.838 176.094 -0.348 0.000 1.020 6 V CA -0.759 61.380 62.300 -0.267 0.000 0.848 6 V CB 1.536 33.328 31.823 -0.052 0.000 0.990 6 V HN 0.821 nan 8.190 nan 0.000 0.430 7 W N 6.088 127.086 121.300 -0.503 0.000 2.957 7 W HA 0.482 5.149 4.660 0.012 0.000 0.336 7 W C -1.735 174.472 176.519 -0.520 0.000 1.087 7 W CA -0.597 56.492 57.345 -0.426 0.000 1.235 7 W CB 2.149 31.221 29.460 -0.647 0.000 1.399 7 W HN 0.593 nan 8.180 nan 0.000 0.480 8 N N 2.679 120.363 118.700 -1.694 0.000 2.284 8 N HA 0.167 4.915 4.740 0.013 0.000 0.300 8 N C 0.665 175.136 175.510 -1.733 0.000 1.047 8 N CA -0.065 52.060 53.050 -1.542 0.000 0.821 8 N CB 2.272 39.760 38.487 -1.664 0.000 1.337 8 N HN 0.411 nan 8.380 nan 0.000 0.482 9 T N 3.040 117.003 114.554 -0.985 0.000 2.721 9 T HA -0.129 4.229 4.350 0.013 0.000 0.268 9 T C 1.834 176.041 174.700 -0.821 0.000 1.038 9 T CA 1.234 62.930 62.100 -0.674 0.000 1.145 9 T CB -0.059 68.505 68.868 -0.507 0.000 0.858 9 T HN 0.514 nan 8.240 nan 0.000 0.459 10 L N -0.369 120.308 121.223 -0.909 0.000 2.275 10 L HA -0.052 4.296 4.340 0.013 0.000 0.215 10 L C 2.146 178.822 176.870 -0.323 0.000 1.119 10 L CA 1.127 55.558 54.840 -0.681 0.000 0.790 10 L CB -0.657 41.086 42.059 -0.526 0.000 0.919 10 L HN 0.451 nan 8.230 nan 0.000 0.443 11 Y N -0.144 119.782 120.300 -0.624 0.000 2.256 11 Y HA -0.188 4.370 4.550 0.014 0.000 0.288 11 Y C 2.471 178.246 175.900 -0.208 0.000 1.155 11 Y CA 0.289 58.069 58.100 -0.532 0.000 1.203 11 Y CB -0.296 37.567 38.460 -0.995 0.000 0.980 11 Y HN 0.255 nan 8.280 nan 0.000 0.530 12 G N -1.678 107.165 108.800 0.072 0.000 2.813 12 G HA2 -0.151 3.817 3.960 0.013 0.000 0.209 12 G HA3 -0.151 3.817 3.960 0.013 0.000 0.209 12 G C 0.516 175.682 174.900 0.442 0.000 1.150 12 G CA -0.012 45.337 45.100 0.415 0.000 0.785 12 G HN 0.371 nan 8.290 nan 0.000 0.535 13 W N 0.453 121.736 121.300 -0.028 0.000 3.127 13 W HA 0.420 5.087 4.660 0.012 0.000 0.344 13 W C 0.431 176.897 176.519 -0.088 0.000 1.151 13 W CA -1.491 55.821 57.345 -0.055 0.000 1.765 13 W CB -0.403 29.022 29.460 -0.058 0.000 1.085 13 W HN -0.219 nan 8.180 nan 0.000 0.596 14 V N 2.650 122.626 119.914 0.103 0.000 2.584 14 V HA -0.149 3.979 4.120 0.013 0.000 0.303 14 V C 0.416 176.454 176.094 -0.094 0.000 1.035 14 V CA 0.563 62.858 62.300 -0.008 0.000 1.172 14 V CB 0.187 31.986 31.823 -0.040 0.000 0.896 14 V HN -0.109 nan 8.190 nan 0.000 0.486 15 D N 4.011 124.358 120.400 -0.088 0.000 2.380 15 D HA 0.171 4.818 4.640 0.013 0.000 0.230 15 D C 1.095 177.295 176.300 -0.167 0.000 1.154 15 D CA -0.113 53.814 54.000 -0.122 0.000 0.859 15 D CB 1.365 42.117 40.800 -0.079 0.000 1.045 15 D HN 0.730 nan 8.370 nan 0.000 0.495 16 T N 0.783 115.202 114.554 -0.226 0.000 3.144 16 T HA 0.451 4.809 4.350 0.013 0.000 0.249 16 T C 1.148 175.717 174.700 -0.218 0.000 1.089 16 T CA 0.113 62.015 62.100 -0.331 0.000 0.989 16 T CB -0.104 68.491 68.868 -0.456 0.000 0.992 16 T HN 0.560 nan 8.240 nan 0.000 0.540 17 G N 1.890 110.626 108.800 -0.107 0.000 2.553 17 G HA2 -0.232 3.736 3.960 0.013 0.000 0.242 17 G HA3 -0.232 3.736 3.960 0.013 0.000 0.242 17 G C 0.528 175.436 174.900 0.014 0.000 1.277 17 G CA 0.490 45.568 45.100 -0.038 0.000 0.910 17 G HN 1.097 nan 8.290 nan 0.000 0.576 18 T N -1.795 112.783 114.554 0.040 0.000 3.145 18 T HA 0.624 4.982 4.350 0.013 0.000 0.281 18 T C 1.057 175.801 174.700 0.073 0.000 1.003 18 T CA 1.134 63.264 62.100 0.049 0.000 0.901 18 T CB 0.599 69.482 68.868 0.025 0.000 1.112 18 T HN 1.884 nan 8.240 nan 0.000 0.535 19 G N 0.494 109.364 108.800 0.116 0.000 2.535 19 G HA2 0.494 4.462 3.960 0.013 0.000 0.303 19 G HA3 0.494 4.462 3.960 0.013 0.000 0.303 19 G C 0.550 175.499 174.900 0.083 0.000 1.237 19 G CA -0.452 44.711 45.100 0.106 0.000 0.986 19 G HN 0.162 nan 8.290 nan 0.000 0.494 20 S N -1.106 114.568 115.700 -0.043 0.000 2.421 20 S HA 0.057 4.534 4.470 0.013 0.000 0.224 20 S C 1.191 175.423 174.600 -0.613 0.000 1.035 20 S CA 0.977 59.050 58.200 -0.213 0.000 0.953 20 S CB -0.046 63.087 63.200 -0.112 0.000 0.810 20 S HN 0.413 nan 8.310 nan 0.000 0.497 21 L N -1.014 119.990 121.223 -0.364 0.000 1.848 21 L HA 0.571 4.918 4.340 0.013 0.000 0.113 21 L C 0.258 177.219 176.870 0.150 0.000 1.456 21 L CA 0.672 55.384 54.840 -0.214 0.000 1.065 21 L CB -0.656 41.336 42.059 -0.112 0.000 2.149 21 L HN 0.089 nan 8.230 nan 0.000 0.462 22 A N 0.969 123.835 122.820 0.076 0.000 2.251 22 A HA 0.769 5.097 4.320 0.013 0.000 0.278 22 A C 0.418 178.061 177.584 0.099 0.000 1.206 22 A CA 0.122 52.218 52.037 0.098 0.000 0.822 22 A CB -0.554 18.477 19.000 0.053 0.000 1.187 22 A HN 0.684 nan 8.150 nan 0.000 0.504 23 A N -0.842 122.025 122.820 0.078 0.000 2.448 23 A HA 0.521 4.849 4.320 0.013 0.000 0.239 23 A C 0.912 178.523 177.584 0.046 0.000 1.080 23 A CA 0.204 52.280 52.037 0.064 0.000 0.779 23 A CB -0.661 18.365 19.000 0.043 0.000 1.026 23 A HN 2.229 nan 8.150 nan 0.000 0.499 24 A N 0.666 123.511 122.820 0.042 0.000 2.520 24 A HA 0.408 4.736 4.320 0.013 0.000 0.235 24 A C 0.322 177.919 177.584 0.022 0.000 1.065 24 A CA 0.652 52.706 52.037 0.028 0.000 0.764 24 A CB -0.303 18.712 19.000 0.026 0.000 1.002 24 A HN 1.004 nan 8.150 nan 0.000 0.502 25 N N 0.946 119.657 118.700 0.017 0.000 2.549 25 N HA 0.343 5.091 4.740 0.013 0.000 0.290 25 N C 0.130 175.647 175.510 0.012 0.000 1.122 25 N CA -0.620 52.439 53.050 0.014 0.000 0.885 25 N CB 0.911 39.406 38.487 0.014 0.000 1.455 25 N HN 0.401 nan 8.380 nan 0.000 0.521 26 L N 2.589 123.818 121.223 0.010 0.000 2.056 26 L HA 0.064 4.412 4.340 0.013 0.000 0.207 26 L C 1.864 178.739 176.870 0.008 0.000 1.078 26 L CA 1.961 56.806 54.840 0.009 0.000 0.749 26 L CB -0.649 41.415 42.059 0.008 0.000 0.901 26 L HN 0.707 nan 8.230 nan 0.000 0.433 27 T N -0.447 114.112 114.554 0.008 0.000 2.720 27 T HA -0.164 4.194 4.350 0.013 0.000 0.268 27 T C 1.689 176.393 174.700 0.007 0.000 1.037 27 T CA 1.355 63.459 62.100 0.007 0.000 1.144 27 T CB -0.363 68.509 68.868 0.007 0.000 0.864 27 T HN 0.446 nan 8.240 nan 0.000 0.444 28 A N 0.538 123.363 122.820 0.008 0.000 2.208 28 A HA 0.148 4.475 4.320 0.013 0.000 0.209 28 A C 0.866 178.455 177.584 0.008 0.000 1.161 28 A CA 0.023 52.065 52.037 0.008 0.000 0.782 28 A CB -0.094 18.911 19.000 0.009 0.000 0.816 28 A HN 0.316 nan 8.150 nan 0.000 0.477 29 R N -1.618 118.887 120.500 0.008 0.000 3.422 29 R HA -0.165 4.182 4.340 0.013 0.000 0.267 29 R C -0.548 175.757 176.300 0.009 0.000 1.074 29 R CA 0.939 57.044 56.100 0.008 0.000 0.718 29 R CB -2.667 27.638 30.300 0.008 0.000 1.157 29 R HN 0.635 nan 8.270 nan 0.000 0.440 30 M N 1.143 120.748 119.600 0.010 0.000 2.201 30 M HA 0.098 4.585 4.480 0.013 0.000 0.345 30 M C 1.017 177.325 176.300 0.012 0.000 1.352 30 M CA 0.310 55.616 55.300 0.010 0.000 1.218 30 M CB 0.939 33.545 32.600 0.010 0.000 1.512 30 M HN 0.066 nan 8.290 nan 0.000 0.447 31 Q N 4.740 124.547 119.800 0.012 0.000 2.364 31 Q HA 0.220 4.567 4.340 0.013 0.000 0.267 31 Q C -2.192 173.819 176.000 0.018 0.000 0.999 31 Q CA -1.380 54.432 55.803 0.014 0.000 0.886 31 Q CB 0.691 29.437 28.738 0.014 0.000 1.243 31 Q HN 0.303 nan 8.270 nan 0.000 0.415 32 P HA 0.109 nan 4.420 nan 0.000 0.268 32 P C -0.947 176.371 177.300 0.030 0.000 1.208 32 P CA 0.238 63.353 63.100 0.025 0.000 0.777 32 P CB 0.499 32.211 31.700 0.021 0.000 0.875 33 I N -0.020 120.574 120.570 0.040 0.000 2.894 33 I HA 0.161 4.338 4.170 0.013 0.000 0.302 33 I C 1.148 177.301 176.117 0.060 0.000 1.188 33 I CA -0.503 60.828 61.300 0.052 0.000 1.014 33 I CB 2.108 40.140 38.000 0.055 0.000 1.242 33 I HN 0.372 nan 8.210 nan 0.000 0.430 34 S N 2.910 118.655 115.700 0.074 0.000 2.383 34 S HA -0.042 4.436 4.470 0.013 0.000 0.227 34 S C 0.358 174.904 174.600 -0.091 0.000 1.026 34 S CA 0.943 59.155 58.200 0.020 0.000 0.981 34 S CB -0.361 62.883 63.200 0.074 0.000 0.818 34 S HN 0.693 nan 8.310 nan 0.000 0.472 35 H N 0.775 119.844 119.070 -0.003 0.000 2.762 35 H HA 0.506 5.069 4.556 0.012 0.000 0.310 35 H C -0.343 175.056 175.328 0.118 0.000 1.004 35 H CA -0.772 55.278 56.048 0.003 0.000 1.267 35 H CB 0.473 30.140 29.762 -0.159 0.000 1.437 35 H HN 0.496 nan 8.280 nan 0.000 0.498 36 H N 2.265 121.431 119.070 0.159 0.000 2.852 36 H HA -0.020 4.544 4.556 0.013 0.000 0.362 36 H C 0.995 176.385 175.328 0.103 0.000 1.122 36 H CA -0.017 56.081 56.048 0.082 0.000 1.419 36 H CB 0.926 30.694 29.762 0.010 0.000 1.401 36 H HN 0.672 nan 8.280 nan 0.000 0.609 37 L N 2.796 123.904 121.223 -0.193 0.000 2.089 37 L HA -0.254 4.093 4.340 0.013 0.000 0.213 37 L C 2.061 179.105 176.870 0.291 0.000 1.079 37 L CA 1.678 56.520 54.840 0.003 0.000 0.758 37 L CB -0.502 41.444 42.059 -0.189 0.000 0.891 37 L HN 0.790 nan 8.230 nan 0.000 0.433 38 A N -2.515 120.544 122.820 0.399 0.000 2.415 38 A HA 0.010 4.337 4.320 0.013 0.000 0.248 38 A C 0.657 178.338 177.584 0.161 0.000 1.299 38 A CA -0.342 51.838 52.037 0.238 0.000 0.899 38 A CB -0.699 17.973 19.000 -0.548 0.000 0.997 38 A HN 0.318 nan 8.150 nan 0.000 0.506 39 H N 1.773 120.946 119.070 0.172 0.000 3.064 39 H HA -0.001 4.562 4.556 0.012 0.000 0.329 39 H C -1.383 174.024 175.328 0.133 0.000 1.020 39 H CA -0.212 55.906 56.048 0.117 0.000 1.402 39 H CB 1.129 31.008 29.762 0.196 0.000 1.379 39 H HN 0.175 nan 8.280 nan 0.000 0.594 40 P HA -0.122 nan 4.420 nan 0.000 0.225 40 P C 0.753 178.225 177.300 0.287 0.000 1.148 40 P CA 0.728 63.877 63.100 0.082 0.000 0.779 40 P CB 0.406 32.114 31.700 0.013 0.000 0.780 41 D N -0.167 120.538 120.400 0.508 0.000 2.158 41 D HA -0.123 4.524 4.640 0.013 0.000 0.197 41 D C 1.910 178.360 176.300 0.250 0.000 0.995 41 D CA 1.442 55.688 54.000 0.410 0.000 0.846 41 D CB -0.909 40.145 40.800 0.424 0.000 0.941 41 D HN 0.152 nan 8.370 nan 0.000 0.456 42 T N 0.554 115.245 114.554 0.228 0.000 2.684 42 T HA -0.142 4.216 4.350 0.013 0.000 0.267 42 T C 1.888 176.679 174.700 0.153 0.000 1.036 42 T CA 1.269 63.448 62.100 0.132 0.000 1.148 42 T CB -0.069 68.865 68.868 0.109 0.000 0.863 42 T HN 0.197 nan 8.240 nan 0.000 0.436 43 K N 0.504 121.034 120.400 0.217 0.000 2.097 43 K HA 0.013 4.341 4.320 0.013 0.000 0.205 43 K C 2.533 179.240 176.600 0.178 0.000 1.050 43 K CA 0.779 57.240 56.287 0.290 0.000 0.938 43 K CB -0.121 32.596 32.500 0.361 0.000 0.718 43 K HN 0.150 nan 8.250 nan 0.000 0.442 44 R N 1.447 122.073 120.500 0.210 0.000 2.091 44 R HA -0.135 4.213 4.340 0.013 0.000 0.238 44 R C 2.118 178.371 176.300 -0.077 0.000 1.136 44 R CA 1.520 57.626 56.100 0.009 0.000 0.959 44 R CB 0.009 30.462 30.300 0.255 0.000 0.856 44 R HN 0.097 nan 8.270 nan 0.000 0.437 45 R N -0.588 119.925 120.500 0.022 0.000 2.120 45 R HA -0.152 4.196 4.340 0.013 0.000 0.234 45 R C 2.175 178.447 176.300 -0.046 0.000 1.123 45 R CA 1.380 57.467 56.100 -0.022 0.000 0.975 45 R CB -0.458 29.840 30.300 -0.003 0.000 0.866 45 R HN 0.228 nan 8.270 nan 0.000 0.446 46 F N 1.345 121.176 119.950 -0.198 0.000 2.075 46 F HA -0.235 4.299 4.527 0.013 0.000 0.297 46 F C 2.296 177.929 175.800 -0.277 0.000 1.113 46 F CA 2.045 59.896 58.000 -0.248 0.000 1.218 46 F CB -1.082 37.824 39.000 -0.157 0.000 0.984 46 F HN 0.063 nan 8.300 nan 0.000 0.472 47 H N 0.275 119.049 119.070 -0.493 0.000 2.319 47 H HA -0.147 4.417 4.556 0.013 0.000 0.297 47 H C 2.090 177.149 175.328 -0.448 0.000 1.097 47 H CA 2.551 58.178 56.048 -0.702 0.000 1.285 47 H CB -0.457 28.390 29.762 -1.525 0.000 1.368 47 H HN 0.465 nan 8.280 nan 0.000 0.495 48 E N -0.613 119.275 120.200 -0.520 0.000 2.150 48 E HA -0.120 4.238 4.350 0.013 0.000 0.193 48 E C 2.107 178.500 176.600 -0.344 0.000 0.985 48 E CA 0.842 56.985 56.400 -0.429 0.000 0.814 48 E CB -0.057 29.521 29.700 -0.204 0.000 0.752 48 E HN 0.364 nan 8.360 nan 0.000 0.466 49 L N 0.619 121.668 121.223 -0.290 0.000 2.072 49 L HA -0.116 4.232 4.340 0.013 0.000 0.205 49 L C 2.180 178.885 176.870 -0.274 0.000 1.079 49 L CA 1.189 55.866 54.840 -0.273 0.000 0.752 49 L CB -0.305 41.547 42.059 -0.345 0.000 0.906 49 L HN -0.096 nan 8.230 nan 0.000 0.436 50 V N -0.878 118.848 119.914 -0.313 0.000 2.324 50 V HA -0.409 3.719 4.120 0.013 0.000 0.250 50 V C 2.597 178.469 176.094 -0.370 0.000 1.060 50 V CA 2.084 64.161 62.300 -0.371 0.000 1.042 50 V CB -0.960 30.529 31.823 -0.558 0.000 0.650 50 V HN 0.636 nan 8.190 nan 0.000 0.450 51 C N -0.155 118.888 119.300 -0.428 0.000 2.489 51 C HA 0.070 4.537 4.460 0.013 0.000 0.279 51 C C 3.077 177.939 174.990 -0.215 0.000 1.266 51 C CA 0.521 59.344 59.018 -0.325 0.000 1.707 51 C CB -1.281 26.235 27.740 -0.374 0.000 2.059 51 C HN 0.619 nan 8.230 nan 0.000 0.481 52 A N 1.344 124.042 122.820 -0.203 0.000 2.019 52 A HA -0.137 4.191 4.320 0.013 0.000 0.219 52 A C 2.237 179.762 177.584 -0.099 0.000 1.164 52 A CA 2.103 54.063 52.037 -0.129 0.000 0.644 52 A CB -0.745 18.188 19.000 -0.111 0.000 0.805 52 A HN 0.721 nan 8.150 nan 0.000 0.449 53 S N -1.825 113.807 115.700 -0.115 0.000 2.481 53 S HA 0.291 4.768 4.470 0.013 0.000 0.231 53 S C 1.597 176.166 174.600 -0.052 0.000 0.996 53 S CA 1.248 59.404 58.200 -0.073 0.000 0.942 53 S CB -0.456 62.692 63.200 -0.086 0.000 0.768 53 S HN 1.917 nan 8.310 nan 0.000 0.520 54 G N 0.654 109.406 108.800 -0.080 0.000 2.176 54 G HA2 -0.302 3.666 3.960 0.013 0.000 0.253 54 G HA3 -0.302 3.666 3.960 0.013 0.000 0.253 54 G C 0.893 175.767 174.900 -0.043 0.000 0.979 54 G CA 0.413 45.473 45.100 -0.068 0.000 0.641 54 G HN 0.410 nan 8.290 nan 0.000 0.530 55 Q N -0.282 119.495 119.800 -0.038 0.000 2.135 55 Q HA -0.060 4.288 4.340 0.013 0.000 0.204 55 Q C 2.607 178.551 176.000 -0.093 0.000 0.981 55 Q CA 1.608 57.411 55.803 0.001 0.000 0.856 55 Q CB -0.284 28.392 28.738 -0.105 0.000 0.902 55 Q HN 0.751 nan 8.270 nan 0.000 0.425 56 I N 1.663 122.111 120.570 -0.204 0.000 2.315 56 I HA -0.240 3.937 4.170 0.013 0.000 0.251 56 I C 1.604 177.622 176.117 -0.165 0.000 1.125 56 I CA 1.416 62.581 61.300 -0.224 0.000 1.392 56 I CB -0.087 37.786 38.000 -0.212 0.000 1.065 56 I HN 0.055 nan 8.210 nan 0.000 0.424 57 E N -0.269 119.793 120.200 -0.230 0.000 2.268 57 E HA -0.153 4.205 4.350 0.013 0.000 0.195 57 E C 1.582 177.941 176.600 -0.401 0.000 0.995 57 E CA 0.984 57.186 56.400 -0.329 0.000 0.836 57 E CB -0.492 28.942 29.700 -0.443 0.000 0.763 57 E HN 0.669 nan 8.360 nan 0.000 0.491 58 H N -0.742 118.299 119.070 -0.049 0.000 2.529 58 H HA 0.270 4.833 4.556 0.013 0.000 0.277 58 H C 0.532 175.850 175.328 -0.017 0.000 1.004 58 H CA 0.034 56.065 56.048 -0.029 0.000 1.167 58 H CB 0.714 30.457 29.762 -0.032 0.000 1.445 58 H HN 0.015 nan 8.280 nan 0.000 0.554 59 L N 0.597 121.841 121.223 0.034 0.000 2.319 59 L HA 0.331 4.678 4.340 0.013 0.000 0.267 59 L C 0.201 177.114 176.870 0.071 0.000 1.011 59 L CA -0.734 54.140 54.840 0.056 0.000 0.818 59 L CB 2.069 44.129 42.059 0.000 0.000 1.316 59 L HN -0.156 nan 8.230 nan 0.000 0.432 60 T N 2.158 116.778 114.554 0.110 0.000 2.762 60 T HA 0.307 4.665 4.350 0.013 0.000 0.303 60 T C -2.502 172.287 174.700 0.149 0.000 0.977 60 T CA -1.208 60.955 62.100 0.105 0.000 0.961 60 T CB 0.806 69.728 68.868 0.089 0.000 0.944 60 T HN 0.209 nan 8.240 nan 0.000 0.481 61 P HA 0.230 nan 4.420 nan 0.000 0.271 61 P C -0.664 176.697 177.300 0.102 0.000 1.226 61 P CA -0.392 62.816 63.100 0.180 0.000 0.765 61 P CB 0.392 32.192 31.700 0.167 0.000 0.835 62 I N 2.677 123.295 120.570 0.081 0.000 2.389 62 I HA 0.367 4.545 4.170 0.013 0.000 0.288 62 I C 0.550 176.659 176.117 -0.013 0.000 0.999 62 I CA -1.420 59.900 61.300 0.033 0.000 1.129 62 I CB 1.090 39.114 38.000 0.039 0.000 1.288 62 I HN 0.303 nan 8.210 nan 0.000 0.444 63 A N 5.284 128.084 122.820 -0.034 0.000 2.477 63 A HA 0.597 4.925 4.320 0.013 0.000 0.246 63 A C 0.671 178.201 177.584 -0.091 0.000 1.078 63 A CA -0.236 51.753 52.037 -0.079 0.000 0.770 63 A CB 0.219 19.173 19.000 -0.076 0.000 1.011 63 A HN 0.884 nan 8.150 nan 0.000 0.494 64 A N 2.276 125.015 122.820 -0.135 0.000 2.445 64 A HA 0.498 4.826 4.320 0.013 0.000 0.242 64 A C 0.148 177.667 177.584 -0.108 0.000 1.075 64 A CA -0.080 51.890 52.037 -0.111 0.000 0.777 64 A CB 0.032 18.949 19.000 -0.137 0.000 1.013 64 A HN 1.095 nan 8.150 nan 0.000 0.493 65 V N 1.471 121.333 119.914 -0.087 0.000 2.581 65 V HA 0.562 4.690 4.120 0.013 0.000 0.303 65 V C 0.796 176.845 176.094 -0.074 0.000 1.041 65 V CA -0.369 61.880 62.300 -0.084 0.000 0.907 65 V CB 1.478 33.252 31.823 -0.082 0.000 0.994 65 V HN 1.192 nan 8.190 nan 0.000 0.442 66 A N 3.524 126.302 122.820 -0.069 0.000 2.491 66 A HA 0.604 4.932 4.320 0.013 0.000 0.261 66 A C 0.776 178.327 177.584 -0.055 0.000 1.101 66 A CA 0.298 52.303 52.037 -0.053 0.000 0.772 66 A CB -0.130 18.840 19.000 -0.050 0.000 1.043 66 A HN 1.444 nan 8.150 nan 0.000 0.501 67 A N 3.690 126.478 122.820 -0.052 0.000 2.520 67 A HA 0.480 4.808 4.320 0.013 0.000 0.245 67 A C 1.116 178.652 177.584 -0.080 0.000 1.072 67 A CA 0.527 52.519 52.037 -0.075 0.000 0.761 67 A CB -0.450 18.497 19.000 -0.087 0.000 1.004 67 A HN 1.480 nan 8.150 nan 0.000 0.499 68 T N 0.203 114.715 114.554 -0.070 0.000 2.788 68 T HA 0.251 4.608 4.350 0.013 0.000 0.280 68 T C 0.534 175.178 174.700 -0.092 0.000 0.984 68 T CA 0.050 62.112 62.100 -0.063 0.000 0.972 68 T CB 0.520 69.367 68.868 -0.035 0.000 1.039 68 T HN 0.530 nan 8.240 nan 0.000 0.530 69 D N 0.833 121.185 120.400 -0.080 0.000 2.123 69 D HA -0.094 4.554 4.640 0.013 0.000 0.196 69 D C 2.362 178.618 176.300 -0.074 0.000 0.992 69 D CA 1.832 55.776 54.000 -0.093 0.000 0.833 69 D CB -0.876 39.889 40.800 -0.060 0.000 0.954 69 D HN 0.743 nan 8.370 nan 0.000 0.455 70 A N 1.102 123.899 122.820 -0.039 0.000 1.933 70 A HA -0.198 4.130 4.320 0.013 0.000 0.218 70 A C 1.823 179.404 177.584 -0.004 0.000 1.175 70 A CA 1.744 53.773 52.037 -0.014 0.000 0.628 70 A CB -0.353 18.649 19.000 0.004 0.000 0.814 70 A HN 0.063 nan 8.150 nan 0.000 0.444 71 D N -0.028 120.365 120.400 -0.012 0.000 2.117 71 D HA -0.100 4.548 4.640 0.013 0.000 0.198 71 D C 1.822 178.107 176.300 -0.025 0.000 0.982 71 D CA 1.212 55.219 54.000 0.011 0.000 0.828 71 D CB -0.334 40.458 40.800 -0.014 0.000 0.967 71 D HN 0.515 nan 8.370 nan 0.000 0.464 72 I N 0.636 121.135 120.570 -0.117 0.000 2.394 72 I HA -0.196 3.982 4.170 0.013 0.000 0.251 72 I C 2.174 178.257 176.117 -0.056 0.000 1.136 72 I CA 0.578 61.767 61.300 -0.185 0.000 1.425 72 I CB -0.040 37.641 38.000 -0.531 0.000 1.079 72 I HN -0.069 nan 8.210 nan 0.000 0.425 73 L N 0.113 121.310 121.223 -0.044 0.000 2.551 73 L HA -0.057 4.290 4.340 0.013 0.000 0.228 73 L C 2.427 179.310 176.870 0.021 0.000 1.153 73 L CA 0.567 55.405 54.840 -0.004 0.000 0.851 73 L CB -0.456 41.600 42.059 -0.005 0.000 0.959 73 L HN 0.169 nan 8.230 nan 0.000 0.451 74 R N -0.067 120.447 120.500 0.023 0.000 2.148 74 R HA -0.045 4.303 4.340 0.013 0.000 0.227 74 R C 2.010 178.298 176.300 -0.021 0.000 1.103 74 R CA 1.264 57.386 56.100 0.037 0.000 0.983 74 R CB -0.118 30.235 30.300 0.089 0.000 0.874 74 R HN 0.341 nan 8.270 nan 0.000 0.451 75 A N -0.500 122.280 122.820 -0.068 0.000 2.127 75 A HA 0.159 4.487 4.320 0.013 0.000 0.204 75 A C 0.059 177.423 177.584 -0.368 0.000 1.243 75 A CA 0.083 51.959 52.037 -0.269 0.000 0.887 75 A CB 0.290 19.120 19.000 -0.283 0.000 0.933 75 A HN 0.204 nan 8.150 nan 0.000 0.479 76 H N -0.649 118.371 119.070 -0.083 0.000 2.834 76 H HA 0.518 5.081 4.556 0.012 0.000 0.369 76 H C 0.100 175.124 175.328 -0.505 0.000 1.174 76 H CA -0.071 55.775 56.048 -0.336 0.000 1.165 76 H CB 1.693 31.452 29.762 -0.005 0.000 1.820 76 H HN 0.244 nan 8.280 nan 0.000 0.558 77 S N 0.532 115.876 115.700 -0.593 0.000 2.592 77 S HA 0.296 4.774 4.470 0.013 0.000 0.271 77 S C 1.434 176.020 174.600 -0.024 0.000 1.326 77 S CA -0.287 57.772 58.200 -0.235 0.000 1.024 77 S CB 1.429 64.543 63.200 -0.143 0.000 0.921 77 S HN 0.834 nan 8.310 nan 0.000 0.527 78 A N 2.886 125.709 122.820 0.005 0.000 1.917 78 A HA -0.007 4.320 4.320 0.013 0.000 0.219 78 A C 2.411 180.003 177.584 0.014 0.000 1.182 78 A CA 2.127 54.169 52.037 0.008 0.000 0.633 78 A CB -1.695 17.313 19.000 0.013 0.000 0.819 78 A HN 1.417 nan 8.150 nan 0.000 0.448 79 A N -1.098 121.739 122.820 0.029 0.000 1.902 79 A HA -0.171 4.157 4.320 0.013 0.000 0.217 79 A C 2.043 179.660 177.584 0.054 0.000 1.181 79 A CA 2.186 54.245 52.037 0.036 0.000 0.623 79 A CB -0.864 18.162 19.000 0.043 0.000 0.818 79 A HN 0.791 nan 8.150 nan 0.000 0.443 80 H N -0.475 118.585 119.070 -0.017 0.000 2.321 80 H HA -0.097 4.467 4.556 0.013 0.000 0.300 80 H C 1.778 177.132 175.328 0.043 0.000 1.087 80 H CA 1.819 57.864 56.048 -0.006 0.000 1.319 80 H CB -0.410 29.338 29.762 -0.022 0.000 1.379 80 H HN 0.283 nan 8.280 nan 0.000 0.501 81 L N 0.796 121.956 121.223 -0.106 0.000 2.012 81 L HA -0.130 4.218 4.340 0.013 0.000 0.210 81 L C 2.311 179.135 176.870 -0.076 0.000 1.073 81 L CA 2.338 57.123 54.840 -0.092 0.000 0.748 81 L CB -1.037 40.983 42.059 -0.064 0.000 0.891 81 L HN 0.351 nan 8.230 nan 0.000 0.431 82 E N -0.229 119.942 120.200 -0.050 0.000 2.085 82 E HA -0.270 4.088 4.350 0.013 0.000 0.194 82 E C 2.104 178.676 176.600 -0.047 0.000 0.994 82 E CA 1.562 57.941 56.400 -0.035 0.000 0.801 82 E CB -0.416 29.273 29.700 -0.017 0.000 0.743 82 E HN 0.585 nan 8.360 nan 0.000 0.453 83 N N -0.865 117.800 118.700 -0.058 0.000 2.120 83 N HA -0.134 4.614 4.740 0.013 0.000 0.188 83 N C 1.502 176.955 175.510 -0.096 0.000 1.024 83 N CA 1.522 54.538 53.050 -0.057 0.000 0.852 83 N CB -0.072 38.403 38.487 -0.020 0.000 1.003 83 N HN 0.144 nan 8.380 nan 0.000 0.424 84 M N 0.616 120.107 119.600 -0.181 0.000 2.159 84 M HA -0.075 4.413 4.480 0.013 0.000 0.263 84 M C 1.773 178.014 176.300 -0.098 0.000 1.063 84 M CA 1.284 56.465 55.300 -0.198 0.000 1.110 84 M CB -0.855 31.535 32.600 -0.350 0.000 1.374 84 M HN 0.170 nan 8.290 nan 0.000 0.411 85 K N -0.347 120.020 120.400 -0.056 0.000 2.057 85 K HA -0.167 4.161 4.320 0.013 0.000 0.207 85 K C 2.178 178.759 176.600 -0.033 0.000 1.049 85 K CA 1.216 57.486 56.287 -0.029 0.000 0.931 85 K CB -0.255 32.234 32.500 -0.018 0.000 0.714 85 K HN 0.267 nan 8.250 nan 0.000 0.440 86 R N 1.125 121.603 120.500 -0.036 0.000 2.080 86 R HA -0.156 4.192 4.340 0.013 0.000 0.236 86 R C 2.100 178.382 176.300 -0.031 0.000 1.137 86 R CA 1.637 57.720 56.100 -0.029 0.000 0.943 86 R CB -0.331 29.953 30.300 -0.025 0.000 0.846 86 R HN -0.008 nan 8.270 nan 0.000 0.431 87 V N 0.278 120.167 119.914 -0.042 0.000 2.295 87 V HA -0.213 3.915 4.120 0.013 0.000 0.246 87 V C 2.386 178.456 176.094 -0.040 0.000 1.049 87 V CA 2.108 64.383 62.300 -0.041 0.000 1.024 87 V CB -0.509 31.282 31.823 -0.053 0.000 0.648 87 V HN 0.466 nan 8.190 nan 0.000 0.447 88 S N 0.085 115.757 115.700 -0.046 0.000 2.423 88 S HA -0.158 4.320 4.470 0.013 0.000 0.231 88 S C 1.765 176.350 174.600 -0.025 0.000 1.014 88 S CA 1.365 59.542 58.200 -0.037 0.000 0.965 88 S CB -0.422 62.756 63.200 -0.037 0.000 0.785 88 S HN 0.625 nan 8.310 nan 0.000 0.495 89 N N 0.900 119.586 118.700 -0.022 0.000 2.446 89 N HA 0.190 4.938 4.740 0.013 0.000 0.179 89 N C 0.109 175.610 175.510 -0.015 0.000 1.054 89 N CA 0.079 53.119 53.050 -0.016 0.000 0.905 89 N CB -0.276 38.202 38.487 -0.015 0.000 0.973 89 N HN 0.432 nan 8.380 nan 0.000 0.448 90 L N 1.721 122.933 121.223 -0.017 0.000 2.514 90 L HA -0.005 4.343 4.340 0.013 0.000 0.280 90 L C -0.888 175.974 176.870 -0.013 0.000 1.223 90 L CA -1.048 53.783 54.840 -0.015 0.000 0.864 90 L CB 0.178 42.228 42.059 -0.016 0.000 1.118 90 L HN -0.068 nan 8.230 nan 0.000 0.494 91 P HA -0.217 nan 4.420 nan 0.000 0.222 91 P C 0.799 178.092 177.300 -0.011 0.000 1.159 91 P CA 1.858 64.952 63.100 -0.010 0.000 0.920 91 P CB 0.042 31.737 31.700 -0.009 0.000 0.793 92 T N -5.568 108.978 114.554 -0.013 0.000 3.331 92 T HA 0.598 4.955 4.350 0.013 0.000 0.282 92 T C 0.840 175.528 174.700 -0.019 0.000 1.010 92 T CA -0.109 61.981 62.100 -0.015 0.000 0.928 92 T CB -0.189 68.669 68.868 -0.016 0.000 1.154 92 T HN 0.379 nan 8.240 nan 0.000 0.516 93 G N 0.588 109.376 108.800 -0.020 0.000 2.547 93 G HA2 0.300 4.268 3.960 0.013 0.000 0.271 93 G HA3 0.300 4.268 3.960 0.013 0.000 0.271 93 G C 0.182 175.068 174.900 -0.024 0.000 1.209 93 G CA -0.224 44.861 45.100 -0.025 0.000 0.959 93 G HN 1.985 nan 8.290 nan 0.000 0.563 94 G N -1.436 107.347 108.800 -0.028 0.000 2.356 94 G HA2 0.534 4.501 3.960 0.013 0.000 0.288 94 G HA3 0.534 4.501 3.960 0.013 0.000 0.288 94 G C -0.870 174.017 174.900 -0.022 0.000 1.302 94 G CA 0.582 45.669 45.100 -0.021 0.000 0.887 94 G HN 1.902 nan 8.290 nan 0.000 0.521 95 D N -0.808 119.586 120.400 -0.010 0.000 2.424 95 D HA 0.399 5.047 4.640 0.013 0.000 0.244 95 D C 1.753 178.049 176.300 -0.007 0.000 1.134 95 D CA 0.903 54.902 54.000 -0.001 0.000 0.881 95 D CB 1.103 41.908 40.800 0.010 0.000 1.191 95 D HN 0.706 nan 8.370 nan 0.000 0.445 96 T N 0.464 115.016 114.554 -0.004 0.000 3.081 96 T HA 0.368 4.726 4.350 0.013 0.000 0.250 96 T C 1.359 176.063 174.700 0.006 0.000 1.100 96 T CA 0.322 62.417 62.100 -0.009 0.000 1.038 96 T CB 0.317 69.173 68.868 -0.020 0.000 0.962 96 T HN 0.665 nan 8.240 nan 0.000 0.516 97 G N 2.068 110.875 108.800 0.010 0.000 3.505 97 G HA2 -0.136 3.832 3.960 0.013 0.000 0.210 97 G HA3 -0.136 3.832 3.960 0.013 0.000 0.210 97 G C 0.637 175.544 174.900 0.012 0.000 1.047 97 G CA 0.410 45.516 45.100 0.010 0.000 0.884 97 G HN 0.537 nan 8.290 nan 0.000 0.434 98 D N 1.280 121.691 120.400 0.017 0.000 2.339 98 D HA 0.347 4.995 4.640 0.013 0.000 0.217 98 D C 1.837 178.155 176.300 0.031 0.000 1.050 98 D CA 0.972 54.984 54.000 0.020 0.000 0.856 98 D CB -0.214 40.598 40.800 0.020 0.000 0.922 98 D HN 1.571 nan 8.370 nan 0.000 0.518 99 G N 1.496 110.318 108.800 0.037 0.000 2.205 99 G HA2 -0.317 3.651 3.960 0.013 0.000 0.261 99 G HA3 -0.317 3.651 3.960 0.013 0.000 0.261 99 G C 0.917 175.863 174.900 0.077 0.000 0.980 99 G CA 0.527 45.654 45.100 0.046 0.000 0.632 99 G HN 0.673 nan 8.290 nan 0.000 0.533 100 I N -2.333 118.296 120.570 0.098 0.000 4.081 100 I HA 0.470 4.647 4.170 0.013 0.000 0.333 100 I C -0.028 176.259 176.117 0.283 0.000 1.413 100 I CA 0.182 61.603 61.300 0.202 0.000 1.110 100 I CB 0.974 39.075 38.000 0.168 0.000 1.082 100 I HN -0.052 nan 8.210 nan 0.000 0.402 101 T N 4.422 119.069 114.554 0.156 0.000 2.991 101 T HA 0.560 4.918 4.350 0.013 0.000 0.347 101 T C -0.298 174.429 174.700 0.045 0.000 1.122 101 T CA -0.439 61.748 62.100 0.145 0.000 1.062 101 T CB 1.005 69.939 68.868 0.109 0.000 1.043 101 T HN 0.364 nan 8.240 nan 0.000 0.491 102 M N 1.849 121.447 119.600 -0.003 0.000 2.705 102 M HA 0.859 5.346 4.480 0.013 0.000 0.311 102 M C -0.857 175.406 176.300 -0.062 0.000 1.214 102 M CA -0.994 54.282 55.300 -0.039 0.000 0.920 102 M CB 2.283 34.851 32.600 -0.053 0.000 1.687 102 M HN 0.388 nan 8.290 nan 0.000 0.481 103 M N 1.743 121.307 119.600 -0.060 0.000 2.263 103 M HA 0.622 5.109 4.480 0.013 0.000 0.295 103 M C -0.215 176.054 176.300 -0.051 0.000 1.028 103 M CA -0.225 55.037 55.300 -0.064 0.000 0.921 103 M CB 2.178 34.732 32.600 -0.077 0.000 1.601 103 M HN 1.021 nan 8.290 nan 0.000 0.440 104 G N 2.474 111.247 108.800 -0.045 0.000 2.699 104 G HA2 -0.012 3.956 3.960 0.013 0.000 0.246 104 G HA3 -0.012 3.956 3.960 0.013 0.000 0.246 104 G C -0.227 174.659 174.900 -0.024 0.000 1.219 104 G CA -0.527 44.554 45.100 -0.031 0.000 0.866 104 G HN 0.841 nan 8.290 nan 0.000 0.572 105 N N 0.070 118.760 118.700 -0.017 0.000 2.458 105 N HA 0.155 4.903 4.740 0.013 0.000 0.258 105 N C 1.393 176.899 175.510 -0.005 0.000 1.219 105 N CA 1.245 54.287 53.050 -0.013 0.000 0.902 105 N CB 0.446 38.927 38.487 -0.009 0.000 1.076 105 N HN 1.140 nan 8.380 nan 0.000 0.455 106 G N 2.382 111.177 108.800 -0.009 0.000 2.175 106 G HA2 -0.274 3.694 3.960 0.013 0.000 0.265 106 G HA3 -0.274 3.694 3.960 0.013 0.000 0.265 106 G C 0.972 175.869 174.900 -0.005 0.000 0.979 106 G CA 0.656 45.754 45.100 -0.005 0.000 0.663 106 G HN 0.818 nan 8.290 nan 0.000 0.533 107 G N -0.089 108.703 108.800 -0.014 0.000 2.559 107 G HA2 0.146 4.114 3.960 0.013 0.000 0.216 107 G HA3 0.146 4.114 3.960 0.013 0.000 0.216 107 G C 1.627 176.511 174.900 -0.026 0.000 1.126 107 G CA 1.294 46.384 45.100 -0.018 0.000 0.778 107 G HN 0.889 nan 8.290 nan 0.000 0.543 108 L N 0.860 122.068 121.223 -0.025 0.000 2.127 108 L HA -0.051 4.297 4.340 0.013 0.000 0.211 108 L C 2.506 179.398 176.870 0.036 0.000 1.089 108 L CA 2.362 57.203 54.840 0.002 0.000 0.757 108 L CB -0.422 41.647 42.059 0.017 0.000 0.899 108 L HN 0.451 nan 8.230 nan 0.000 0.434 109 E N -0.311 119.894 120.200 0.009 0.000 2.085 109 E HA -0.255 4.103 4.350 0.013 0.000 0.194 109 E C 2.139 178.737 176.600 -0.004 0.000 0.994 109 E CA 2.001 58.398 56.400 -0.006 0.000 0.801 109 E CB -0.207 29.474 29.700 -0.031 0.000 0.743 109 E HN 0.684 nan 8.360 nan 0.000 0.453 110 I N 0.643 121.212 120.570 -0.001 0.000 2.286 110 I HA -0.161 4.017 4.170 0.013 0.000 0.245 110 I C 2.670 178.823 176.117 0.060 0.000 1.104 110 I CA 0.754 62.064 61.300 0.018 0.000 1.397 110 I CB -0.477 37.533 38.000 0.017 0.000 1.072 110 I HN 0.138 nan 8.210 nan 0.000 0.417 111 A N 1.407 124.253 122.820 0.043 0.000 1.908 111 A HA -0.225 4.103 4.320 0.013 0.000 0.218 111 A C 2.439 180.157 177.584 0.223 0.000 1.181 111 A CA 1.657 53.745 52.037 0.085 0.000 0.627 111 A CB -0.637 18.327 19.000 -0.060 0.000 0.818 111 A HN 0.334 nan 8.150 nan 0.000 0.445 112 R N -0.790 119.825 120.500 0.191 0.000 2.096 112 R HA -0.029 4.318 4.340 0.013 0.000 0.235 112 R C 2.010 178.351 176.300 0.068 0.000 1.127 112 R CA 1.414 57.586 56.100 0.120 0.000 0.968 112 R CB -0.465 29.868 30.300 0.055 0.000 0.861 112 R HN 0.519 nan 8.270 nan 0.000 0.440 113 L N -0.136 121.129 121.223 0.069 0.000 2.156 113 L HA -0.119 4.229 4.340 0.013 0.000 0.208 113 L C 2.614 179.618 176.870 0.222 0.000 1.095 113 L CA 0.822 55.710 54.840 0.080 0.000 0.770 113 L CB -0.328 41.726 42.059 -0.008 0.000 0.914 113 L HN 0.183 nan 8.230 nan 0.000 0.439 114 S N -0.131 115.677 115.700 0.180 0.000 2.345 114 S HA -0.169 4.309 4.470 0.013 0.000 0.220 114 S C 2.164 176.757 174.600 -0.010 0.000 1.031 114 S CA 1.329 59.501 58.200 -0.048 0.000 0.996 114 S CB -0.089 63.023 63.200 -0.146 0.000 0.882 114 S HN 0.425 nan 8.310 nan 0.000 0.445 115 A N 0.721 123.576 122.820 0.059 0.000 1.902 115 A HA 0.129 4.457 4.320 0.013 0.000 0.217 115 A C 2.336 179.918 177.584 -0.002 0.000 1.181 115 A CA 1.812 53.881 52.037 0.053 0.000 0.623 115 A CB -1.577 17.482 19.000 0.098 0.000 0.818 115 A HN 0.637 nan 8.150 nan 0.000 0.443 116 G N -0.711 108.085 108.800 -0.006 0.000 2.422 116 G HA2 0.074 4.041 3.960 0.013 0.000 0.218 116 G HA3 0.074 4.041 3.960 0.013 0.000 0.218 116 G C 1.477 176.346 174.900 -0.052 0.000 1.140 116 G CA 1.182 46.251 45.100 -0.051 0.000 0.775 116 G HN 0.691 nan 8.290 nan 0.000 0.545 117 G N 1.110 109.912 108.800 0.003 0.000 2.422 117 G HA2 0.039 4.007 3.960 0.013 0.000 0.218 117 G HA3 0.039 4.007 3.960 0.013 0.000 0.218 117 G C 2.011 176.893 174.900 -0.030 0.000 1.146 117 G CA 1.493 46.600 45.100 0.013 0.000 0.769 117 G HN 0.604 nan 8.290 nan 0.000 0.547 118 A N 0.084 122.878 122.820 -0.043 0.000 1.898 118 A HA 0.122 4.450 4.320 0.013 0.000 0.216 118 A C 2.609 180.147 177.584 -0.076 0.000 1.181 118 A CA 1.729 53.733 52.037 -0.056 0.000 0.620 118 A CB -0.597 18.374 19.000 -0.049 0.000 0.819 118 A HN 0.238 nan 8.150 nan 0.000 0.442 119 V N 0.141 119.984 119.914 -0.119 0.000 2.261 119 V HA -0.256 3.872 4.120 0.013 0.000 0.246 119 V C 2.637 178.556 176.094 -0.292 0.000 1.047 119 V CA 2.491 64.637 62.300 -0.257 0.000 1.015 119 V CB -0.743 30.861 31.823 -0.364 0.000 0.642 119 V HN 0.730 nan 8.190 nan 0.000 0.446 120 E N 0.239 120.316 120.200 -0.205 0.000 2.077 120 E HA -0.232 4.125 4.350 0.013 0.000 0.193 120 E C 1.923 178.478 176.600 -0.074 0.000 0.989 120 E CA 1.388 57.699 56.400 -0.148 0.000 0.800 120 E CB -0.462 29.178 29.700 -0.100 0.000 0.746 120 E HN 0.397 nan 8.360 nan 0.000 0.452 121 L N 0.272 121.467 121.223 -0.048 0.000 2.046 121 L HA -0.121 4.227 4.340 0.013 0.000 0.208 121 L C 2.185 179.062 176.870 0.012 0.000 1.077 121 L CA 2.303 57.142 54.840 -0.001 0.000 0.747 121 L CB -1.081 40.986 42.059 0.013 0.000 0.896 121 L HN 0.162 nan 8.230 nan 0.000 0.432 122 T N -0.425 114.125 114.554 -0.006 0.000 2.720 122 T HA -0.244 4.114 4.350 0.013 0.000 0.268 122 T C 1.989 176.738 174.700 0.081 0.000 1.037 122 T CA 1.663 63.784 62.100 0.034 0.000 1.144 122 T CB -0.281 68.613 68.868 0.043 0.000 0.864 122 T HN 0.346 nan 8.240 nan 0.000 0.444 123 R N 0.883 121.422 120.500 0.065 0.000 2.096 123 R HA -0.090 4.257 4.340 0.013 0.000 0.240 123 R C 2.495 178.854 176.300 0.097 0.000 1.139 123 R CA 1.531 57.721 56.100 0.151 0.000 0.952 123 R CB -0.066 30.282 30.300 0.079 0.000 0.854 123 R HN 0.331 nan 8.270 nan 0.000 0.436 124 R N -0.428 120.106 120.500 0.056 0.000 2.153 124 R HA -0.002 4.345 4.340 0.013 0.000 0.218 124 R C 2.248 178.583 176.300 0.058 0.000 1.072 124 R CA 0.910 57.041 56.100 0.053 0.000 0.990 124 R CB 0.024 30.350 30.300 0.043 0.000 0.889 124 R HN 0.115 nan 8.270 nan 0.000 0.452 125 V N 1.139 121.089 119.914 0.061 0.000 2.307 125 V HA -0.214 3.913 4.120 0.013 0.000 0.245 125 V C 2.467 178.594 176.094 0.055 0.000 1.045 125 V CA 2.018 64.356 62.300 0.062 0.000 1.024 125 V CB -0.641 31.220 31.823 0.064 0.000 0.651 125 V HN 0.363 nan 8.190 nan 0.000 0.449 126 A N 0.768 123.624 122.820 0.060 0.000 1.908 126 A HA -0.244 4.084 4.320 0.013 0.000 0.218 126 A C 2.423 180.033 177.584 0.043 0.000 1.181 126 A CA 2.498 54.566 52.037 0.051 0.000 0.627 126 A CB -1.046 17.993 19.000 0.066 0.000 0.818 126 A HN 0.645 nan 8.150 nan 0.000 0.445 127 T N -3.874 110.710 114.554 0.051 0.000 3.113 127 T HA 0.311 4.669 4.350 0.013 0.000 0.263 127 T C 1.493 176.214 174.700 0.035 0.000 1.143 127 T CA 1.212 63.336 62.100 0.041 0.000 1.090 127 T CB -0.381 68.514 68.868 0.046 0.000 0.922 127 T HN 1.796 nan 8.240 nan 0.000 0.521 128 G N 1.219 110.042 108.800 0.038 0.000 2.179 128 G HA2 -0.348 3.620 3.960 0.013 0.000 0.260 128 G HA3 -0.348 3.620 3.960 0.013 0.000 0.260 128 G C 0.581 175.505 174.900 0.039 0.000 0.977 128 G CA 0.666 45.788 45.100 0.037 0.000 0.641 128 G HN 0.645 nan 8.290 nan 0.000 0.533 129 E N -0.490 119.735 120.200 0.041 0.000 2.110 129 E HA 0.078 4.436 4.350 0.013 0.000 0.193 129 E C 1.019 177.649 176.600 0.049 0.000 0.988 129 E CA 0.676 57.101 56.400 0.042 0.000 0.804 129 E CB -0.046 29.679 29.700 0.041 0.000 0.745 129 E HN 0.628 nan 8.360 nan 0.000 0.458 130 L N -0.125 121.132 121.223 0.057 0.000 2.323 130 L HA 0.222 4.570 4.340 0.013 0.000 0.265 130 L C 1.145 178.057 176.870 0.071 0.000 1.012 130 L CA -0.395 54.486 54.840 0.068 0.000 0.820 130 L CB 1.985 44.091 42.059 0.079 0.000 1.334 130 L HN -0.043 nan 8.230 nan 0.000 0.427 131 S N 0.033 115.780 115.700 0.079 0.000 2.458 131 S HA 0.467 4.945 4.470 0.013 0.000 0.223 131 S C 0.495 175.154 174.600 0.099 0.000 1.019 131 S CA 0.357 58.605 58.200 0.081 0.000 0.937 131 S CB 0.318 63.565 63.200 0.079 0.000 0.788 131 S HN 0.797 nan 8.310 nan 0.000 0.511 132 A N -0.864 122.028 122.820 0.120 0.000 2.483 132 A HA 0.772 5.100 4.320 0.013 0.000 0.294 132 A C -0.352 177.342 177.584 0.184 0.000 1.077 132 A CA -0.387 51.745 52.037 0.159 0.000 0.633 132 A CB 0.424 19.546 19.000 0.203 0.000 1.318 132 A HN 1.347 nan 8.150 nan 0.000 0.455 133 G N -1.938 107.009 108.800 0.244 0.000 2.451 133 G HA2 0.582 4.550 3.960 0.013 0.000 0.292 133 G HA3 0.582 4.550 3.960 0.013 0.000 0.292 133 G C -2.388 172.723 174.900 0.352 0.000 1.427 133 G CA -0.353 44.908 45.100 0.268 0.000 0.792 133 G HN 1.618 nan 8.290 nan 0.000 0.498 134 Y N 0.748 121.203 120.300 0.257 0.000 2.338 134 Y HA 0.648 5.206 4.550 0.012 0.000 0.333 134 Y C 0.125 176.122 175.900 0.162 0.000 0.968 134 Y CA -0.621 57.641 58.100 0.271 0.000 1.123 134 Y CB 1.948 40.583 38.460 0.291 0.000 1.165 134 Y HN 0.865 nan 8.280 nan 0.000 0.452 135 A N 6.264 129.114 122.820 0.049 0.000 2.341 135 A HA 0.429 4.756 4.320 0.013 0.000 0.326 135 A C -1.112 176.541 177.584 0.115 0.000 1.402 135 A CA -0.585 51.476 52.037 0.040 0.000 0.957 135 A CB -0.040 18.936 19.000 -0.039 0.000 1.151 135 A HN 0.662 nan 8.150 nan 0.000 0.533 136 L N 5.734 127.080 121.223 0.204 0.000 2.423 136 L HA 0.339 4.687 4.340 0.013 0.000 0.249 136 L C 0.276 177.215 176.870 0.115 0.000 1.276 136 L CA -0.044 54.974 54.840 0.297 0.000 1.199 136 L CB -0.515 41.650 42.059 0.176 0.000 1.407 136 L HN 0.546 nan 8.230 nan 0.000 0.410 137 V N 1.172 120.969 119.914 -0.195 0.000 3.134 137 V HA 0.729 4.857 4.120 0.013 0.000 0.313 137 V C -0.105 175.626 176.094 -0.604 0.000 1.069 137 V CA -0.644 61.136 62.300 -0.867 0.000 1.048 137 V CB 1.708 33.164 31.823 -0.612 0.000 1.119 137 V HN 0.761 nan 8.190 nan 0.000 0.461 138 N N 1.253 119.447 118.700 -0.844 0.000 2.635 138 N HA 0.513 5.261 4.740 0.013 0.000 0.260 138 N C -3.242 172.116 175.510 -0.253 0.000 1.078 138 N CA -1.019 51.844 53.050 -0.312 0.000 1.012 138 N CB 2.713 41.143 38.487 -0.095 0.000 1.677 138 N HN 0.637 nan 8.380 nan 0.000 0.514 139 P HA 0.292 nan 4.420 nan 0.000 0.272 139 P C -2.666 174.618 177.300 -0.027 0.000 1.230 139 P CA -0.786 62.291 63.100 -0.038 0.000 0.788 139 P CB 0.190 31.884 31.700 -0.010 0.000 0.949 140 P HA 0.117 nan 4.420 nan 0.000 0.286 140 P C 0.440 177.797 177.300 0.095 0.000 1.293 140 P CA 0.183 63.319 63.100 0.060 0.000 0.770 140 P CB 0.424 32.207 31.700 0.137 0.000 1.206 141 G N -1.752 107.110 108.800 0.103 0.000 2.535 141 G HA2 -0.033 3.934 3.960 0.013 0.000 0.191 141 G HA3 -0.033 3.934 3.960 0.013 0.000 0.191 141 G C 1.138 176.153 174.900 0.192 0.000 1.242 141 G CA 0.383 45.572 45.100 0.149 0.000 0.797 141 G HN 0.725 nan 8.290 nan 0.000 0.863 142 H N -1.204 117.832 119.070 -0.058 0.000 2.521 142 H HA 0.103 4.667 4.556 0.013 0.000 0.286 142 H C 1.844 177.096 175.328 -0.127 0.000 1.034 142 H CA 0.979 56.962 56.048 -0.107 0.000 1.278 142 H CB -0.122 29.545 29.762 -0.159 0.000 1.386 142 H HN 0.293 nan 8.280 nan 0.000 0.567 143 H N 0.992 120.036 119.070 -0.044 0.000 2.535 143 H HA 0.316 4.881 4.556 0.014 0.000 0.273 143 H C 0.792 176.087 175.328 -0.055 0.000 0.983 143 H CA 0.527 56.486 56.048 -0.148 0.000 1.238 143 H CB -0.017 29.709 29.762 -0.060 0.000 1.412 143 H HN 0.510 nan 8.280 nan 0.000 0.562 144 A N 4.163 127.060 122.820 0.129 0.000 2.396 144 A HA 0.257 4.584 4.320 0.013 0.000 0.279 144 A C -1.910 175.736 177.584 0.103 0.000 1.165 144 A CA -1.079 51.018 52.037 0.101 0.000 0.824 144 A CB 0.402 19.495 19.000 0.155 0.000 1.100 144 A HN 0.096 nan 8.150 nan 0.000 0.516 145 P HA 0.135 nan 4.420 nan 0.000 0.317 145 P C 0.568 177.887 177.300 0.032 0.000 1.307 145 P CA -0.167 62.928 63.100 -0.008 0.000 0.749 145 P CB 0.579 32.249 31.700 -0.051 0.000 1.377 146 H N -0.582 118.425 119.070 -0.106 0.000 2.387 146 H HA -0.068 4.495 4.556 0.012 0.000 0.299 146 H C 1.228 176.593 175.328 0.061 0.000 1.090 146 H CA 2.066 58.057 56.048 -0.093 0.000 1.332 146 H CB -0.122 29.558 29.762 -0.137 0.000 1.386 146 H HN 0.331 nan 8.280 nan 0.000 0.516 147 N N -0.265 118.406 118.700 -0.048 0.000 2.351 147 N HA 0.345 5.093 4.740 0.013 0.000 0.254 147 N C -1.261 174.143 175.510 -0.176 0.000 1.241 147 N CA 0.417 53.413 53.050 -0.089 0.000 0.883 147 N CB 0.473 38.974 38.487 0.022 0.000 1.202 147 N HN 0.352 nan 8.380 nan 0.000 0.512 148 A N -0.070 122.473 122.820 -0.462 0.000 2.608 148 A HA 0.723 5.051 4.320 0.013 0.000 0.292 148 A C -1.500 175.794 177.584 -0.484 0.000 1.066 148 A CA -0.568 51.252 52.037 -0.361 0.000 0.676 148 A CB 0.990 19.909 19.000 -0.135 0.000 1.277 148 A HN 0.160 nan 8.150 nan 0.000 0.413 149 A N 0.861 123.620 122.820 -0.102 0.000 2.295 149 A HA 0.924 5.252 4.320 0.013 0.000 0.318 149 A C -0.253 177.328 177.584 -0.006 0.000 1.134 149 A CA -0.176 51.853 52.037 -0.013 0.000 0.827 149 A CB 0.966 19.996 19.000 0.050 0.000 1.136 149 A HN 1.968 nan 8.150 nan 0.000 0.493 150 M N 1.187 120.804 119.600 0.029 0.000 2.523 150 M HA 0.485 4.972 4.480 0.013 0.000 0.287 150 M C 0.194 176.531 176.300 0.061 0.000 1.160 150 M CA 0.749 56.070 55.300 0.035 0.000 0.902 150 M CB 1.560 34.166 32.600 0.010 0.000 1.752 150 M HN 2.144 nan 8.290 nan 0.000 0.504 151 G N 3.291 112.057 108.800 -0.057 0.000 2.366 151 G HA2 -0.270 3.698 3.960 0.013 0.000 0.299 151 G HA3 -0.270 3.698 3.960 0.013 0.000 0.299 151 G C 0.112 174.821 174.900 -0.319 0.000 1.020 151 G CA 0.860 45.715 45.100 -0.408 0.000 1.026 151 G HN 1.321 nan 8.290 nan 0.000 0.512 152 F N -4.734 115.256 119.950 0.067 0.000 2.656 152 F HA -0.302 4.233 4.527 0.014 0.000 0.381 152 F C 1.328 177.165 175.800 0.062 0.000 0.603 152 F CA 0.163 58.199 58.000 0.060 0.000 1.335 152 F CB -2.030 37.033 39.000 0.105 0.000 1.836 152 F HN 0.529 nan 8.300 nan 0.000 0.290 153 C N 2.289 121.719 119.300 0.216 0.000 2.295 153 C HA 0.472 4.940 4.460 0.013 0.000 0.331 153 C C 1.829 176.836 174.990 0.030 0.000 1.280 153 C CA -0.823 58.281 59.018 0.144 0.000 1.746 153 C CB 0.594 28.448 27.740 0.189 0.000 2.328 153 C HN 0.233 nan 8.230 nan 0.000 0.521 154 I N 1.039 121.557 120.570 -0.086 0.000 2.512 154 I HA 0.239 4.417 4.170 0.013 0.000 0.247 154 I C 0.329 176.174 176.117 -0.453 0.000 1.094 154 I CA 1.168 62.262 61.300 -0.344 0.000 1.427 154 I CB -0.595 37.064 38.000 -0.568 0.000 1.149 154 I HN 0.385 nan 8.210 nan 0.000 0.438 155 F N 0.503 120.477 119.950 0.040 0.000 2.561 155 F HA 0.382 4.917 4.527 0.013 0.000 0.321 155 F C 0.767 176.691 175.800 0.206 0.000 1.065 155 F CA -1.582 56.439 58.000 0.034 0.000 0.934 155 F CB 0.376 39.393 39.000 0.027 0.000 1.215 155 F HN -0.127 nan 8.300 nan 0.000 0.471 156 N N 2.583 121.690 118.700 0.679 0.000 2.605 156 N HA 0.016 4.764 4.740 0.013 0.000 0.258 156 N C 0.622 176.299 175.510 0.279 0.000 1.156 156 N CA 0.185 53.460 53.050 0.375 0.000 1.008 156 N CB 0.013 38.659 38.487 0.265 0.000 1.354 156 N HN 0.543 nan 8.380 nan 0.000 0.509 157 N N 1.124 119.944 118.700 0.200 0.000 2.061 157 N HA -0.201 4.547 4.740 0.013 0.000 0.193 157 N C 1.626 177.190 175.510 0.090 0.000 1.030 157 N CA 2.189 55.312 53.050 0.122 0.000 0.856 157 N CB -0.552 37.961 38.487 0.043 0.000 1.023 157 N HN 0.628 nan 8.380 nan 0.000 0.424 158 T N -2.027 112.571 114.554 0.074 0.000 2.867 158 T HA 0.043 4.401 4.350 0.013 0.000 0.268 158 T C 2.111 176.892 174.700 0.136 0.000 1.057 158 T CA 1.262 63.392 62.100 0.049 0.000 1.136 158 T CB -0.335 68.531 68.868 -0.002 0.000 0.874 158 T HN 0.010 nan 8.240 nan 0.000 0.466 159 S N 0.809 116.651 115.700 0.236 0.000 2.414 159 S HA 0.053 4.530 4.470 0.013 0.000 0.227 159 S C 2.180 176.986 174.600 0.343 0.000 1.022 159 S CA 0.727 59.188 58.200 0.434 0.000 0.958 159 S CB -0.382 63.046 63.200 0.380 0.000 0.797 159 S HN 0.395 nan 8.310 nan 0.000 0.493 160 V N 2.040 122.075 119.914 0.202 0.000 2.358 160 V HA -0.169 3.959 4.120 0.013 0.000 0.246 160 V C 2.618 178.811 176.094 0.165 0.000 1.047 160 V CA 1.702 64.096 62.300 0.157 0.000 1.035 160 V CB -1.113 30.774 31.823 0.107 0.000 0.658 160 V HN 0.527 nan 8.190 nan 0.000 0.452 161 A N -0.005 122.890 122.820 0.125 0.000 1.898 161 A HA -0.052 4.276 4.320 0.013 0.000 0.216 161 A C 2.424 180.096 177.584 0.147 0.000 1.181 161 A CA 1.891 53.989 52.037 0.103 0.000 0.620 161 A CB -0.749 18.268 19.000 0.029 0.000 0.819 161 A HN 0.548 nan 8.150 nan 0.000 0.442 162 A N -0.455 122.440 122.820 0.125 0.000 1.933 162 A HA 0.118 4.446 4.320 0.013 0.000 0.218 162 A C 2.372 180.025 177.584 0.115 0.000 1.175 162 A CA 1.913 53.966 52.037 0.026 0.000 0.628 162 A CB -1.295 17.614 19.000 -0.151 0.000 0.814 162 A HN 0.706 nan 8.150 nan 0.000 0.444 163 G N -1.958 107.039 108.800 0.328 0.000 2.408 163 G HA2 -0.222 3.746 3.960 0.013 0.000 0.217 163 G HA3 -0.222 3.746 3.960 0.013 0.000 0.217 163 G C 1.525 176.553 174.900 0.213 0.000 1.150 163 G CA 1.156 46.474 45.100 0.365 0.000 0.776 163 G HN 0.575 nan 8.290 nan 0.000 0.542 164 Y N 1.984 122.336 120.300 0.087 0.000 2.145 164 Y HA -0.028 4.530 4.550 0.013 0.000 0.286 164 Y C 2.941 178.857 175.900 0.026 0.000 1.145 164 Y CA 1.622 59.748 58.100 0.045 0.000 1.148 164 Y CB -0.367 38.111 38.460 0.030 0.000 0.981 164 Y HN 0.243 nan 8.280 nan 0.000 0.507 165 A N 0.850 123.743 122.820 0.121 0.000 1.908 165 A HA -0.212 4.116 4.320 0.013 0.000 0.218 165 A C 2.315 179.858 177.584 -0.069 0.000 1.181 165 A CA 1.829 53.870 52.037 0.007 0.000 0.627 165 A CB -0.583 18.441 19.000 0.041 0.000 0.818 165 A HN 0.431 nan 8.150 nan 0.000 0.445 166 R N -0.608 119.869 120.500 -0.040 0.000 2.073 166 R HA -0.070 4.277 4.340 0.013 0.000 0.234 166 R C 2.401 178.668 176.300 -0.055 0.000 1.134 166 R CA 1.569 57.646 56.100 -0.038 0.000 0.952 166 R CB -0.896 29.411 30.300 0.011 0.000 0.850 166 R HN 0.556 nan 8.270 nan 0.000 0.433 167 A N 0.055 122.833 122.820 -0.071 0.000 1.864 167 A HA -0.003 4.325 4.320 0.013 0.000 0.213 167 A C 2.383 179.863 177.584 -0.174 0.000 1.266 167 A CA 0.826 52.810 52.037 -0.087 0.000 0.612 167 A CB -0.615 18.357 19.000 -0.045 0.000 0.940 167 A HN 0.066 nan 8.150 nan 0.000 0.463 168 V N 0.374 120.080 119.914 -0.347 0.000 2.379 168 V HA -0.132 3.996 4.120 0.013 0.000 0.245 168 V C 2.392 178.291 176.094 -0.324 0.000 1.044 168 V CA 1.663 63.711 62.300 -0.419 0.000 1.036 168 V CB -0.750 30.587 31.823 -0.810 0.000 0.664 168 V HN 0.500 nan 8.190 nan 0.000 0.453 169 L N 0.431 121.448 121.223 -0.343 0.000 2.478 169 L HA 0.262 4.610 4.340 0.013 0.000 0.223 169 L C 1.762 178.568 176.870 -0.107 0.000 1.140 169 L CA 0.909 55.645 54.840 -0.174 0.000 0.842 169 L CB -0.672 41.321 42.059 -0.110 0.000 0.953 169 L HN 0.556 nan 8.230 nan 0.000 0.452 170 G N 0.407 109.141 108.800 -0.110 0.000 2.147 170 G HA2 -0.305 3.662 3.960 0.013 0.000 0.244 170 G HA3 -0.305 3.662 3.960 0.013 0.000 0.244 170 G C 0.217 175.079 174.900 -0.063 0.000 1.005 170 G CA -0.118 44.937 45.100 -0.075 0.000 0.713 170 G HN 0.242 nan 8.290 nan 0.000 0.515 171 M N 0.335 119.895 119.600 -0.066 0.000 2.200 171 M HA 0.253 4.740 4.480 0.013 0.000 0.355 171 M C 1.438 177.698 176.300 -0.067 0.000 1.283 171 M CA 0.045 55.308 55.300 -0.062 0.000 1.124 171 M CB 0.603 33.168 32.600 -0.058 0.000 1.625 171 M HN 0.190 nan 8.290 nan 0.000 0.463 172 E N 2.433 122.588 120.200 -0.075 0.000 2.230 172 E HA 0.044 4.402 4.350 0.013 0.000 0.192 172 E C 0.024 176.565 176.600 -0.097 0.000 0.987 172 E CA 0.804 57.155 56.400 -0.082 0.000 0.841 172 E CB 0.492 30.138 29.700 -0.090 0.000 0.783 172 E HN 0.567 nan 8.360 nan 0.000 0.481 173 R N 0.516 120.950 120.500 -0.111 0.000 2.574 173 R HA 0.484 4.831 4.340 0.013 0.000 0.288 173 R C -1.183 175.104 176.300 -0.023 0.000 1.004 173 R CA -0.417 55.623 56.100 -0.099 0.000 0.895 173 R CB 2.593 32.676 30.300 -0.362 0.000 1.191 173 R HN -0.169 nan 8.270 nan 0.000 0.444 174 V N 1.275 121.212 119.914 0.039 0.000 2.876 174 V HA 0.749 4.877 4.120 0.013 0.000 0.312 174 V C -0.627 175.468 176.094 0.002 0.000 1.085 174 V CA -0.910 61.372 62.300 -0.029 0.000 0.945 174 V CB 2.044 33.762 31.823 -0.175 0.000 1.017 174 V HN 0.912 nan 8.190 nan 0.000 0.428 175 A N 4.449 127.251 122.820 -0.029 0.000 2.342 175 A HA 0.923 5.251 4.320 0.013 0.000 0.323 175 A C -0.943 176.545 177.584 -0.160 0.000 1.125 175 A CA -0.535 51.436 52.037 -0.111 0.000 0.785 175 A CB 0.977 19.953 19.000 -0.040 0.000 1.221 175 A HN 0.756 nan 8.150 nan 0.000 0.463 176 I N 2.820 123.280 120.570 -0.183 0.000 2.382 176 I HA 0.252 4.430 4.170 0.013 0.000 0.285 176 I C -0.889 175.155 176.117 -0.122 0.000 1.007 176 I CA -0.609 60.595 61.300 -0.160 0.000 1.142 176 I CB 1.578 39.500 38.000 -0.130 0.000 1.289 176 I HN 0.556 nan 8.210 nan 0.000 0.453 177 L N 7.079 128.206 121.223 -0.160 0.000 2.264 177 L HA 0.488 4.835 4.340 0.013 0.000 0.289 177 L C -0.613 176.161 176.870 -0.160 0.000 1.044 177 L CA 0.214 54.986 54.840 -0.112 0.000 0.807 177 L CB 1.014 43.009 42.059 -0.106 0.000 1.192 177 L HN 0.436 nan 8.230 nan 0.000 0.425 178 D N 4.657 125.050 120.400 -0.011 0.000 2.453 178 D HA 0.198 4.846 4.640 0.013 0.000 0.238 178 D C -0.327 176.096 176.300 0.205 0.000 1.088 178 D CA -0.487 53.519 54.000 0.010 0.000 0.854 178 D CB 0.659 41.533 40.800 0.123 0.000 1.076 178 D HN 0.611 nan 8.370 nan 0.000 0.533 179 W N 3.577 124.951 121.300 0.123 0.000 3.123 179 W HA 0.362 5.029 4.660 0.012 0.000 0.383 179 W C 0.058 176.687 176.519 0.184 0.000 1.102 179 W CA -1.009 56.463 57.345 0.212 0.000 1.865 179 W CB -0.807 28.808 29.460 0.259 0.000 1.111 179 W HN 0.143 nan 8.180 nan 0.000 0.621 180 D N 1.594 122.184 120.400 0.316 0.000 2.506 180 D HA -0.146 4.502 4.640 0.013 0.000 0.234 180 D C 1.279 177.795 176.300 0.360 0.000 1.143 180 D CA 0.472 54.611 54.000 0.231 0.000 0.871 180 D CB 2.147 42.902 40.800 -0.076 0.000 1.190 180 D HN 0.071 nan 8.370 nan 0.000 0.459 181 V N 4.211 124.280 119.914 0.258 0.000 3.078 181 V HA -0.137 3.991 4.120 0.013 0.000 0.265 181 V C 0.303 176.480 176.094 0.138 0.000 1.122 181 V CA 1.364 63.776 62.300 0.186 0.000 1.141 181 V CB -0.621 31.219 31.823 0.029 0.000 0.735 181 V HN 0.495 nan 8.190 nan 0.000 0.498 182 H N -1.061 118.319 119.070 0.517 0.000 2.496 182 H HA 0.440 5.003 4.556 0.011 0.000 0.342 182 H C -0.141 175.463 175.328 0.459 0.000 1.170 182 H CA -0.557 55.802 56.048 0.518 0.000 1.274 182 H CB 0.637 30.785 29.762 0.643 0.000 1.538 182 H HN 0.353 nan 8.280 nan 0.000 0.542 183 H N 0.623 119.802 119.070 0.183 0.000 2.929 183 H HA 0.117 4.681 4.556 0.013 0.000 0.317 183 H C 0.738 176.009 175.328 -0.095 0.000 1.031 183 H CA -0.435 55.476 56.048 -0.229 0.000 1.466 183 H CB 0.490 29.892 29.762 -0.601 0.000 1.482 183 H HN 0.858 nan 8.280 nan 0.000 0.561 184 G N 5.115 113.708 108.800 -0.344 0.000 3.180 184 G HA2 -0.139 3.829 3.960 0.013 0.000 0.252 184 G HA3 -0.139 3.829 3.960 0.013 0.000 0.252 184 G C 1.095 175.601 174.900 -0.657 0.000 0.871 184 G CA 0.002 44.845 45.100 -0.428 0.000 1.979 184 G HN 0.908 nan 8.290 nan 0.000 0.624 185 N N 0.756 118.926 118.700 -0.883 0.000 2.205 185 N HA -0.125 4.623 4.740 0.013 0.000 0.186 185 N C 2.021 177.403 175.510 -0.213 0.000 1.015 185 N CA 1.433 54.145 53.050 -0.564 0.000 0.862 185 N CB -0.420 37.880 38.487 -0.310 0.000 0.986 185 N HN 0.275 nan 8.380 nan 0.000 0.429 186 G N 0.510 109.219 108.800 -0.153 0.000 2.394 186 G HA2 -0.170 3.797 3.960 0.013 0.000 0.214 186 G HA3 -0.170 3.797 3.960 0.013 0.000 0.214 186 G C 1.513 176.412 174.900 -0.001 0.000 1.176 186 G CA 1.337 46.409 45.100 -0.047 0.000 0.786 186 G HN 0.407 nan 8.290 nan 0.000 0.533 187 T N 0.486 115.065 114.554 0.042 0.000 2.777 187 T HA -0.146 4.212 4.350 0.013 0.000 0.266 187 T C 2.270 177.117 174.700 0.244 0.000 1.040 187 T CA 1.548 63.757 62.100 0.182 0.000 1.141 187 T CB -0.246 68.737 68.868 0.192 0.000 0.868 187 T HN 0.456 nan 8.240 nan 0.000 0.444 188 Q N 1.035 120.932 119.800 0.160 0.000 2.061 188 Q HA -0.230 4.117 4.340 0.013 0.000 0.204 188 Q C 2.074 178.251 176.000 0.295 0.000 0.984 188 Q CA 2.176 58.146 55.803 0.278 0.000 0.846 188 Q CB -0.282 28.613 28.738 0.262 0.000 0.902 188 Q HN 0.562 nan 8.270 nan 0.000 0.421 189 D N -0.204 120.248 120.400 0.087 0.000 2.097 189 D HA -0.165 4.483 4.640 0.013 0.000 0.195 189 D C 1.838 178.139 176.300 0.002 0.000 0.989 189 D CA 1.603 55.597 54.000 -0.010 0.000 0.827 189 D CB -0.147 40.595 40.800 -0.096 0.000 0.966 189 D HN 0.416 nan 8.370 nan 0.000 0.456 190 I N -0.826 119.681 120.570 -0.104 0.000 2.226 190 I HA -0.170 4.007 4.170 0.013 0.000 0.245 190 I C 0.998 176.809 176.117 -0.511 0.000 1.100 190 I CA 0.935 61.984 61.300 -0.418 0.000 1.374 190 I CB -0.145 37.449 38.000 -0.677 0.000 1.057 190 I HN 0.228 nan 8.210 nan 0.000 0.413 191 W N -0.614 120.743 121.300 0.096 0.000 3.223 191 W HA 0.107 4.774 4.660 0.012 0.000 0.389 191 W C 1.861 178.471 176.519 0.151 0.000 1.118 191 W CA -0.733 56.665 57.345 0.088 0.000 1.902 191 W CB -0.496 28.995 29.460 0.052 0.000 1.094 191 W HN 0.179 nan 8.180 nan 0.000 0.666 192 W N 1.809 123.175 121.300 0.111 0.000 2.305 192 W HA -0.262 4.406 4.660 0.013 0.000 0.308 192 W C 0.806 177.389 176.519 0.105 0.000 1.226 192 W CA 1.570 58.974 57.345 0.097 0.000 1.253 192 W CB -0.132 29.354 29.460 0.043 0.000 1.146 192 W HN -0.111 nan 8.180 nan 0.000 0.507 193 N N 0.381 119.173 118.700 0.154 0.000 2.270 193 N HA -0.029 4.719 4.740 0.013 0.000 0.198 193 N C -0.919 174.615 175.510 0.040 0.000 1.117 193 N CA 0.630 53.701 53.050 0.035 0.000 0.845 193 N CB -0.020 38.520 38.487 0.088 0.000 0.980 193 N HN 0.012 nan 8.380 nan 0.000 0.486 194 D N 0.825 121.283 120.400 0.098 0.000 2.462 194 D HA 0.201 4.849 4.640 0.013 0.000 0.245 194 D C -1.885 174.435 176.300 0.033 0.000 1.122 194 D CA -1.915 52.156 54.000 0.117 0.000 0.864 194 D CB 2.243 43.226 40.800 0.305 0.000 1.098 194 D HN -0.018 nan 8.370 nan 0.000 0.541 195 P HA -0.023 nan 4.420 nan 0.000 0.245 195 P C 0.844 178.010 177.300 -0.223 0.000 1.212 195 P CA 0.281 63.113 63.100 -0.447 0.000 0.774 195 P CB 0.215 31.442 31.700 -0.789 0.000 0.999 196 S N -1.350 114.307 115.700 -0.071 0.000 2.603 196 S HA 0.119 4.597 4.470 0.013 0.000 0.220 196 S C 0.607 175.178 174.600 -0.048 0.000 0.967 196 S CA -0.127 58.062 58.200 -0.019 0.000 0.920 196 S CB -0.560 62.624 63.200 -0.028 0.000 0.773 196 S HN -0.079 nan 8.310 nan 0.000 0.529 197 V N 2.495 122.320 119.914 -0.148 0.000 2.462 197 V HA 0.438 4.565 4.120 0.013 0.000 0.288 197 V C -0.719 175.189 176.094 -0.310 0.000 1.020 197 V CA -0.829 61.229 62.300 -0.403 0.000 0.857 197 V CB 1.381 32.467 31.823 -1.229 0.000 1.013 197 V HN 0.459 nan 8.190 nan 0.000 0.431 198 L N 6.033 126.987 121.223 -0.448 0.000 2.361 198 L HA 0.629 4.977 4.340 0.013 0.000 0.278 198 L C 0.627 177.325 176.870 -0.287 0.000 1.113 198 L CA 0.834 55.365 54.840 -0.515 0.000 0.849 198 L CB 1.208 42.591 42.059 -1.128 0.000 1.155 198 L HN 0.838 nan 8.230 nan 0.000 0.452 199 T N 3.901 118.375 114.554 -0.132 0.000 2.779 199 T HA 0.708 5.066 4.350 0.013 0.000 0.280 199 T C -0.201 174.505 174.700 0.009 0.000 0.987 199 T CA -0.508 61.574 62.100 -0.029 0.000 0.966 199 T CB 0.754 69.684 68.868 0.104 0.000 0.933 199 T HN 0.459 nan 8.240 nan 0.000 0.442 200 I N 2.310 122.893 120.570 0.020 0.000 2.498 200 I HA 0.551 4.728 4.170 0.013 0.000 0.290 200 I C -0.122 176.080 176.117 0.142 0.000 1.032 200 I CA -0.815 60.521 61.300 0.061 0.000 1.073 200 I CB 2.307 40.319 38.000 0.020 0.000 1.251 200 I HN 0.693 nan 8.210 nan 0.000 0.426 201 S N 6.526 122.363 115.700 0.229 0.000 2.605 201 S HA 0.650 5.128 4.470 0.013 0.000 0.308 201 S C -1.019 173.758 174.600 0.296 0.000 1.113 201 S CA -0.531 57.886 58.200 0.362 0.000 1.049 201 S CB 0.744 64.290 63.200 0.577 0.000 1.001 201 S HN 0.327 nan 8.310 nan 0.000 0.480 202 L N 5.877 127.258 121.223 0.264 0.000 2.312 202 L HA 0.655 5.002 4.340 0.013 0.000 0.281 202 L C 0.003 177.006 176.870 0.220 0.000 1.070 202 L CA 0.244 55.140 54.840 0.093 0.000 0.805 202 L CB 0.650 42.826 42.059 0.194 0.000 1.174 202 L HN 0.916 nan 8.230 nan 0.000 0.434 203 H N -0.716 118.467 119.070 0.188 0.000 3.037 203 H HA 0.361 4.924 4.556 0.011 0.000 0.336 203 H C -0.927 174.500 175.328 0.166 0.000 1.323 203 H CA -0.981 55.206 56.048 0.231 0.000 1.159 203 H CB 0.758 30.686 29.762 0.278 0.000 1.882 203 H HN 0.534 nan 8.280 nan 0.000 0.535 204 Q N 1.476 121.462 119.800 0.311 0.000 2.274 204 Q HA 0.011 4.359 4.340 0.013 0.000 0.280 204 Q C -0.559 175.622 176.000 0.301 0.000 1.047 204 Q CA -0.359 55.589 55.803 0.241 0.000 0.907 204 Q CB 0.324 29.186 28.738 0.206 0.000 1.171 204 Q HN 0.741 nan 8.270 nan 0.000 0.381 205 H N 5.420 124.560 119.070 0.116 0.000 3.046 205 H HA -0.012 4.551 4.556 0.013 0.000 0.303 205 H C 0.351 175.699 175.328 0.033 0.000 1.002 205 H CA 1.087 57.177 56.048 0.070 0.000 1.460 205 H CB -0.068 29.689 29.762 -0.008 0.000 1.493 205 H HN 0.815 nan 8.280 nan 0.000 0.559 206 L N 3.209 124.224 121.223 -0.346 0.000 4.040 206 L HA -0.396 3.952 4.340 0.013 0.000 0.410 206 L C 1.831 178.655 176.870 -0.077 0.000 1.187 206 L CA 0.643 55.271 54.840 -0.353 0.000 0.956 206 L CB -2.255 39.490 42.059 -0.524 0.000 2.022 206 L HN 0.666 nan 8.230 nan 0.000 0.897 207 C N -0.089 119.258 119.300 0.079 0.000 2.508 207 C HA 0.141 4.609 4.460 0.013 0.000 0.280 207 C C 0.921 176.097 174.990 0.310 0.000 1.262 207 C CA 1.334 60.487 59.018 0.224 0.000 1.706 207 C CB 0.062 27.997 27.740 0.326 0.000 2.078 207 C HN 0.506 nan 8.230 nan 0.000 0.480 208 F N 0.660 120.702 119.950 0.153 0.000 2.669 208 F HA 0.524 5.058 4.527 0.012 0.000 0.315 208 F C -2.812 172.972 175.800 -0.026 0.000 1.109 208 F CA -1.604 56.376 58.000 -0.034 0.000 1.028 208 F CB 0.945 39.809 39.000 -0.228 0.000 1.287 208 F HN -0.009 nan 8.300 nan 0.000 0.452 209 P HA 0.339 nan 4.420 nan 0.000 0.276 209 P C -2.717 174.252 177.300 -0.552 0.000 1.261 209 P CA -1.233 61.066 63.100 -1.334 0.000 0.800 209 P CB 0.152 31.215 31.700 -1.062 0.000 1.066 210 P HA 0.021 nan 4.420 nan 0.000 0.274 210 P C -0.146 177.047 177.300 -0.179 0.000 1.237 210 P CA 0.350 63.319 63.100 -0.219 0.000 0.793 210 P CB -0.036 31.580 31.700 -0.140 0.000 0.977 211 D N -1.393 118.941 120.400 -0.111 0.000 2.701 211 D HA -0.172 4.476 4.640 0.013 0.000 0.235 211 D C -0.791 175.542 176.300 0.054 0.000 1.155 211 D CA 1.230 55.254 54.000 0.040 0.000 0.649 211 D CB -1.303 39.524 40.800 0.045 0.000 1.050 211 D HN 0.362 nan 8.370 nan 0.000 0.425 212 S N -1.589 114.029 115.700 -0.138 0.000 2.556 212 S HA 0.630 5.108 4.470 0.013 0.000 0.271 212 S C 0.719 175.063 174.600 -0.426 0.000 1.135 212 S CA 0.579 58.707 58.200 -0.120 0.000 0.858 212 S CB 1.651 64.820 63.200 -0.052 0.000 1.114 212 S HN 1.042 nan 8.310 nan 0.000 0.468 213 G N 1.592 110.019 108.800 -0.622 0.000 2.141 213 G HA2 -0.214 3.754 3.960 0.013 0.000 0.242 213 G HA3 -0.214 3.754 3.960 0.013 0.000 0.242 213 G C -0.215 174.580 174.900 -0.175 0.000 0.982 213 G CA 0.189 44.667 45.100 -1.038 0.000 0.662 213 G HN 0.697 nan 8.290 nan 0.000 0.527 214 Y N 1.290 121.597 120.300 0.012 0.000 2.652 214 Y HA 0.249 4.802 4.550 0.005 0.000 0.344 214 Y C 2.136 178.075 175.900 0.065 0.000 1.254 214 Y CA 0.813 58.975 58.100 0.103 0.000 1.480 214 Y CB 0.720 39.238 38.460 0.097 0.000 1.345 214 Y HN 0.305 nan 8.280 nan 0.000 0.617 215 S N -1.517 114.300 115.700 0.194 0.000 2.515 215 S HA -0.143 4.335 4.470 0.013 0.000 0.231 215 S C 1.564 176.230 174.600 0.109 0.000 0.987 215 S CA 0.863 59.126 58.200 0.105 0.000 0.936 215 S CB -0.900 62.319 63.200 0.032 0.000 0.766 215 S HN 0.863 nan 8.310 nan 0.000 0.528 216 T N -0.484 114.159 114.554 0.149 0.000 3.072 216 T HA 0.089 4.446 4.350 0.013 0.000 0.266 216 T C 0.348 175.155 174.700 0.179 0.000 1.127 216 T CA 0.184 62.359 62.100 0.124 0.000 1.107 216 T CB -0.601 68.320 68.868 0.088 0.000 0.910 216 T HN 0.526 nan 8.240 nan 0.000 0.513 217 E N 1.410 121.757 120.200 0.245 0.000 1.932 217 E HA 0.271 4.628 4.350 0.013 0.000 0.275 217 E C 0.629 177.396 176.600 0.280 0.000 1.159 217 E CA -0.212 56.432 56.400 0.406 0.000 0.905 217 E CB 0.454 30.407 29.700 0.421 0.000 1.059 217 E HN 0.398 nan 8.360 nan 0.000 0.400 218 R N 2.186 122.720 120.500 0.057 0.000 2.535 218 R HA 0.218 4.565 4.340 0.013 0.000 0.323 218 R C 0.437 176.388 176.300 -0.582 0.000 0.979 218 R CA 0.051 55.998 56.100 -0.253 0.000 1.120 218 R CB 1.192 31.289 30.300 -0.339 0.000 1.306 218 R HN 0.661 nan 8.270 nan 0.000 0.540 219 G N 0.841 108.932 108.800 -1.182 0.000 2.655 219 G HA2 0.072 4.040 3.960 0.013 0.000 0.680 219 G HA3 0.072 4.040 3.960 0.013 0.000 0.680 219 G C -1.115 173.087 174.900 -1.164 0.000 1.302 219 G CA -0.537 43.622 45.100 -1.568 0.000 0.872 219 G HN 0.359 nan 8.290 nan 0.000 0.540 220 A N -1.113 121.188 122.820 -0.865 0.000 2.566 220 A HA 1.204 5.532 4.320 0.013 0.000 0.292 220 A C 1.393 178.919 177.584 -0.096 0.000 1.112 220 A CA 1.310 53.175 52.037 -0.286 0.000 0.707 220 A CB 0.973 19.907 19.000 -0.110 0.000 1.302 220 A HN 3.056 nan 8.150 nan 0.000 0.409 221 G N 1.025 109.819 108.800 -0.010 0.000 2.611 221 G HA2 -0.388 3.580 3.960 0.013 0.000 0.301 221 G HA3 -0.388 3.580 3.960 0.013 0.000 0.301 221 G C 0.675 175.594 174.900 0.033 0.000 1.233 221 G CA 1.080 46.185 45.100 0.009 0.000 0.993 221 G HN 1.184 nan 8.290 nan 0.000 0.553 222 N N 1.326 120.037 118.700 0.020 0.000 2.364 222 N HA 0.100 4.848 4.740 0.013 0.000 0.183 222 N C 2.102 177.627 175.510 0.026 0.000 1.022 222 N CA 1.025 54.086 53.050 0.017 0.000 0.883 222 N CB -0.174 38.301 38.487 -0.021 0.000 0.965 222 N HN 0.748 nan 8.380 nan 0.000 0.438 223 G N -0.244 108.568 108.800 0.019 0.000 2.920 223 G HA2 -0.152 3.816 3.960 0.013 0.000 0.208 223 G HA3 -0.152 3.816 3.960 0.013 0.000 0.208 223 G C 0.087 175.046 174.900 0.099 0.000 1.159 223 G CA -0.177 44.945 45.100 0.036 0.000 0.784 223 G HN 0.388 nan 8.290 nan 0.000 0.535 224 H N 0.458 119.534 119.070 0.011 0.000 2.929 224 H HA 0.308 4.871 4.556 0.012 0.000 0.317 224 H C 1.358 176.670 175.328 -0.027 0.000 1.031 224 H CA 1.167 57.171 56.048 -0.074 0.000 1.466 224 H CB 0.532 30.247 29.762 -0.079 0.000 1.482 224 H HN 0.260 nan 8.280 nan 0.000 0.561 225 G N 4.710 113.097 108.800 -0.689 0.000 2.175 225 G HA2 -0.287 3.681 3.960 0.013 0.000 0.244 225 G HA3 -0.287 3.681 3.960 0.013 0.000 0.244 225 G C 0.107 174.558 174.900 -0.749 0.000 0.982 225 G CA 0.321 45.036 45.100 -0.643 0.000 0.641 225 G HN 0.651 nan 8.290 nan 0.000 0.527 226 Y N 0.946 121.103 120.300 -0.238 0.000 2.636 226 Y HA 0.399 4.957 4.550 0.013 0.000 0.260 226 Y C 0.976 176.762 175.900 -0.190 0.000 1.177 226 Y CA -0.184 57.792 58.100 -0.207 0.000 1.209 226 Y CB 0.597 38.967 38.460 -0.150 0.000 1.166 226 Y HN 0.304 nan 8.280 nan 0.000 0.531 227 N N 1.033 119.659 118.700 -0.124 0.000 2.296 227 N HA 0.472 5.220 4.740 0.013 0.000 0.294 227 N C -1.688 173.797 175.510 -0.042 0.000 1.033 227 N CA -0.302 52.733 53.050 -0.025 0.000 0.839 227 N CB 1.392 39.925 38.487 0.076 0.000 1.395 227 N HN 0.081 nan 8.380 nan 0.000 0.479 228 I N 2.469 123.045 120.570 0.010 0.000 2.468 228 I HA 0.260 4.438 4.170 0.013 0.000 0.285 228 I C -0.802 175.368 176.117 0.089 0.000 1.039 228 I CA -0.821 60.483 61.300 0.007 0.000 1.074 228 I CB 1.705 39.677 38.000 -0.047 0.000 1.228 228 I HN 0.345 nan 8.210 nan 0.000 0.436 229 N N 5.456 124.222 118.700 0.111 0.000 2.421 229 N HA 0.427 5.175 4.740 0.013 0.000 0.285 229 N C -0.695 174.809 175.510 -0.009 0.000 1.027 229 N CA -0.391 52.753 53.050 0.156 0.000 0.918 229 N CB 2.728 41.349 38.487 0.224 0.000 1.152 229 N HN 0.197 nan 8.380 nan 0.000 0.485 230 V N 3.977 123.803 119.914 -0.146 0.000 2.235 230 V HA 0.279 4.406 4.120 0.013 0.000 0.266 230 V C -2.156 173.680 176.094 -0.431 0.000 1.055 230 V CA -1.553 60.617 62.300 -0.217 0.000 0.844 230 V CB 0.743 32.470 31.823 -0.161 0.000 1.097 230 V HN 0.497 nan 8.190 nan 0.000 0.453 231 P HA 0.354 nan 4.420 nan 0.000 0.276 231 P C -0.732 176.445 177.300 -0.205 0.000 1.235 231 P CA 0.051 62.964 63.100 -0.312 0.000 0.772 231 P CB 1.444 33.089 31.700 -0.092 0.000 0.871 232 L N 5.092 126.237 121.223 -0.130 0.000 2.354 232 L HA 0.548 4.896 4.340 0.013 0.000 0.269 232 L C -2.182 174.690 176.870 0.005 0.000 1.005 232 L CA -2.786 51.992 54.840 -0.105 0.000 0.819 232 L CB 2.544 44.484 42.059 -0.198 0.000 1.311 232 L HN 0.180 nan 8.230 nan 0.000 0.423 233 P HA 0.218 nan 4.420 nan 0.000 0.275 233 P C -2.664 174.677 177.300 0.070 0.000 1.228 233 P CA -1.676 61.453 63.100 0.049 0.000 0.786 233 P CB -0.014 31.700 31.700 0.024 0.000 0.927 234 P HA -0.049 nan 4.420 nan 0.000 0.264 234 P C 1.156 178.498 177.300 0.070 0.000 1.173 234 P CA 1.714 64.867 63.100 0.088 0.000 0.761 234 P CB -0.259 31.489 31.700 0.080 0.000 0.794 235 G N 1.258 110.104 108.800 0.077 0.000 2.176 235 G HA2 -0.255 3.712 3.960 0.013 0.000 0.253 235 G HA3 -0.255 3.712 3.960 0.013 0.000 0.253 235 G C 0.382 175.319 174.900 0.061 0.000 0.979 235 G CA 0.084 45.219 45.100 0.058 0.000 0.641 235 G HN 0.601 nan 8.290 nan 0.000 0.530 236 S N 0.813 116.564 115.700 0.087 0.000 2.549 236 S HA 0.518 4.996 4.470 0.013 0.000 0.286 236 S C 1.016 175.714 174.600 0.164 0.000 1.314 236 S CA 0.566 58.828 58.200 0.104 0.000 1.062 236 S CB 1.323 64.576 63.200 0.088 0.000 0.865 236 S HN 1.283 nan 8.310 nan 0.000 0.498 237 G N 1.983 110.859 108.800 0.126 0.000 3.257 237 G HA2 0.270 4.238 3.960 0.013 0.000 0.205 237 G HA3 0.270 4.238 3.960 0.013 0.000 0.205 237 G C 0.537 175.494 174.900 0.095 0.000 1.234 237 G CA -0.555 44.591 45.100 0.076 0.000 0.918 237 G HN 0.532 nan 8.290 nan 0.000 0.602 238 N N 0.319 119.012 118.700 -0.013 0.000 2.094 238 N HA -0.158 4.590 4.740 0.013 0.000 0.191 238 N C 2.354 177.889 175.510 0.041 0.000 1.023 238 N CA 1.638 54.670 53.050 -0.029 0.000 0.857 238 N CB -0.537 37.918 38.487 -0.054 0.000 1.013 238 N HN 0.477 nan 8.380 nan 0.000 0.426 239 A N 0.828 123.668 122.820 0.033 0.000 1.877 239 A HA 0.048 4.376 4.320 0.013 0.000 0.216 239 A C 2.381 179.998 177.584 0.054 0.000 1.186 239 A CA 1.989 54.044 52.037 0.031 0.000 0.620 239 A CB -0.921 18.076 19.000 -0.005 0.000 0.822 239 A HN 0.326 nan 8.150 nan 0.000 0.443 240 A N -1.446 121.403 122.820 0.048 0.000 1.877 240 A HA -0.096 4.231 4.320 0.013 0.000 0.216 240 A C 2.119 179.705 177.584 0.004 0.000 1.186 240 A CA 1.635 53.682 52.037 0.016 0.000 0.620 240 A CB -0.848 18.135 19.000 -0.028 0.000 0.822 240 A HN 0.573 nan 8.150 nan 0.000 0.443 241 Y N 0.073 120.358 120.300 -0.024 0.000 2.145 241 Y HA -0.129 4.429 4.550 0.012 0.000 0.286 241 Y C 2.261 178.148 175.900 -0.022 0.000 1.145 241 Y CA 1.723 59.796 58.100 -0.045 0.000 1.148 241 Y CB -0.320 38.058 38.460 -0.137 0.000 0.981 241 Y HN 0.180 nan 8.280 nan 0.000 0.507 242 L N -1.328 119.971 121.223 0.127 0.000 2.141 242 L HA -0.242 4.105 4.340 0.013 0.000 0.209 242 L C 2.275 179.197 176.870 0.086 0.000 1.094 242 L CA 1.584 56.474 54.840 0.084 0.000 0.763 242 L CB -0.614 41.482 42.059 0.062 0.000 0.908 242 L HN 0.290 nan 8.230 nan 0.000 0.437 243 H N 0.212 119.281 119.070 -0.002 0.000 2.357 243 H HA -0.096 4.468 4.556 0.012 0.000 0.301 243 H C 2.187 177.500 175.328 -0.025 0.000 1.082 243 H CA 1.455 57.494 56.048 -0.015 0.000 1.342 243 H CB 0.094 29.840 29.762 -0.027 0.000 1.389 243 H HN 0.253 nan 8.280 nan 0.000 0.511 244 A N 0.796 123.606 122.820 -0.017 0.000 1.908 244 A HA -0.214 4.113 4.320 0.013 0.000 0.218 244 A C 2.339 179.889 177.584 -0.056 0.000 1.181 244 A CA 1.975 53.963 52.037 -0.082 0.000 0.627 244 A CB -0.555 18.372 19.000 -0.122 0.000 0.818 244 A HN 0.414 nan 8.150 nan 0.000 0.445 245 M N -0.105 119.496 119.600 0.002 0.000 2.080 245 M HA -0.147 4.340 4.480 0.013 0.000 0.260 245 M C 1.527 177.824 176.300 -0.005 0.000 1.068 245 M CA 1.682 57.006 55.300 0.040 0.000 1.109 245 M CB -1.566 31.084 32.600 0.084 0.000 1.342 245 M HN 0.357 nan 8.290 nan 0.000 0.405 246 D N -0.287 120.086 120.400 -0.044 0.000 2.149 246 D HA -0.112 4.536 4.640 0.013 0.000 0.201 246 D C 2.225 178.452 176.300 -0.121 0.000 0.972 246 D CA 0.961 54.920 54.000 -0.067 0.000 0.835 246 D CB -0.086 40.677 40.800 -0.061 0.000 0.966 246 D HN 0.372 nan 8.370 nan 0.000 0.476 247 Q N -0.338 119.331 119.800 -0.218 0.000 2.339 247 Q HA 0.091 4.438 4.340 0.013 0.000 0.205 247 Q C 1.889 177.812 176.000 -0.129 0.000 0.925 247 Q CA 0.387 56.054 55.803 -0.226 0.000 0.898 247 Q CB 1.086 29.578 28.738 -0.410 0.000 1.013 247 Q HN 0.215 nan 8.270 nan 0.000 0.504 248 V N -1.185 118.669 119.914 -0.101 0.000 3.054 248 V HA -0.001 4.127 4.120 0.013 0.000 0.227 248 V C 2.065 178.139 176.094 -0.034 0.000 1.252 248 V CA 0.408 62.669 62.300 -0.065 0.000 1.279 248 V CB -0.070 31.714 31.823 -0.066 0.000 1.118 248 V HN -0.094 nan 8.190 nan 0.000 0.504 249 V N 0.830 120.738 119.914 -0.012 0.000 2.244 249 V HA -0.214 3.914 4.120 0.013 0.000 0.244 249 V C 2.344 178.454 176.094 0.027 0.000 1.042 249 V CA 2.260 64.573 62.300 0.022 0.000 1.006 249 V CB -0.602 31.265 31.823 0.073 0.000 0.641 249 V HN 0.400 nan 8.190 nan 0.000 0.446 250 L N -0.247 120.995 121.223 0.031 0.000 2.017 250 L HA -0.103 4.245 4.340 0.013 0.000 0.208 250 L C 0.112 176.997 176.870 0.024 0.000 1.073 250 L CA 1.685 56.547 54.840 0.037 0.000 0.745 250 L CB -2.026 40.058 42.059 0.042 0.000 0.894 250 L HN 0.330 nan 8.230 nan 0.000 0.432 251 P HA -0.229 nan 4.420 nan 0.000 0.216 251 P C 1.514 178.820 177.300 0.011 0.000 1.153 251 P CA 2.016 65.118 63.100 0.002 0.000 0.858 251 P CB -0.036 31.654 31.700 -0.018 0.000 0.789 252 A N -0.757 122.064 122.820 0.002 0.000 1.877 252 A HA -0.181 4.146 4.320 0.013 0.000 0.216 252 A C 2.252 179.868 177.584 0.055 0.000 1.186 252 A CA 1.560 53.598 52.037 0.001 0.000 0.620 252 A CB -1.662 17.317 19.000 -0.036 0.000 0.822 252 A HN 0.107 nan 8.150 nan 0.000 0.443 253 L N -1.066 120.190 121.223 0.057 0.000 2.017 253 L HA -0.217 4.131 4.340 0.013 0.000 0.208 253 L C 2.904 179.839 176.870 0.108 0.000 1.073 253 L CA 1.680 56.579 54.840 0.098 0.000 0.745 253 L CB -0.526 41.574 42.059 0.068 0.000 0.894 253 L HN 0.358 nan 8.230 nan 0.000 0.432 254 R N -0.068 120.472 120.500 0.067 0.000 2.081 254 R HA -0.129 4.219 4.340 0.013 0.000 0.235 254 R C 2.440 178.773 176.300 0.054 0.000 1.131 254 R CA 1.285 57.416 56.100 0.051 0.000 0.960 254 R CB -0.553 29.767 30.300 0.034 0.000 0.856 254 R HN 0.360 nan 8.270 nan 0.000 0.436 255 A N 0.434 123.293 122.820 0.064 0.000 1.933 255 A HA -0.221 4.107 4.320 0.013 0.000 0.218 255 A C 1.961 179.616 177.584 0.118 0.000 1.175 255 A CA 1.246 53.326 52.037 0.070 0.000 0.628 255 A CB -0.595 18.437 19.000 0.054 0.000 0.814 255 A HN 0.444 nan 8.150 nan 0.000 0.444 256 Y N -0.302 120.009 120.300 0.018 0.000 2.337 256 Y HA 0.032 4.591 4.550 0.014 0.000 0.293 256 Y C 0.493 176.409 175.900 0.026 0.000 1.123 256 Y CA 0.993 59.121 58.100 0.047 0.000 1.201 256 Y CB 0.251 38.741 38.460 0.050 0.000 1.011 256 Y HN 0.358 nan 8.280 nan 0.000 0.545 257 R N 0.139 120.617 120.500 -0.035 0.000 3.146 257 R HA -0.154 4.194 4.340 0.013 0.000 0.250 257 R C -2.785 173.395 176.300 -0.199 0.000 0.912 257 R CA 0.610 56.649 56.100 -0.102 0.000 0.633 257 R CB -2.494 27.739 30.300 -0.111 0.000 1.180 257 R HN 0.342 nan 8.270 nan 0.000 0.464 258 P HA 0.046 nan 4.420 nan 0.000 0.274 258 P C 0.173 177.447 177.300 -0.043 0.000 1.237 258 P CA -0.108 62.980 63.100 -0.020 0.000 0.793 258 P CB 0.594 32.407 31.700 0.187 0.000 0.977 259 Q N -0.338 119.432 119.800 -0.051 0.000 2.360 259 Q HA 0.239 4.587 4.340 0.013 0.000 0.202 259 Q C -0.043 175.943 176.000 -0.024 0.000 0.915 259 Q CA 0.233 56.011 55.803 -0.042 0.000 0.943 259 Q CB 0.169 28.874 28.738 -0.054 0.000 1.064 259 Q HN 0.247 nan 8.270 nan 0.000 0.511 260 L N -0.330 120.881 121.223 -0.021 0.000 2.549 260 L HA 0.459 4.807 4.340 0.013 0.000 0.259 260 L C -1.993 174.854 176.870 -0.039 0.000 0.934 260 L CA -0.565 54.260 54.840 -0.026 0.000 0.865 260 L CB 1.765 43.806 42.059 -0.031 0.000 1.352 260 L HN -0.099 nan 8.230 nan 0.000 0.410 261 I N 5.422 125.955 120.570 -0.062 0.000 2.378 261 I HA 0.490 4.668 4.170 0.013 0.000 0.291 261 I C -0.610 175.395 176.117 -0.186 0.000 0.992 261 I CA -0.399 60.834 61.300 -0.111 0.000 1.154 261 I CB 1.654 39.591 38.000 -0.105 0.000 1.315 261 I HN 0.477 nan 8.210 nan 0.000 0.448 262 I N 6.705 127.147 120.570 -0.212 0.000 2.404 262 I HA 0.363 4.541 4.170 0.013 0.000 0.293 262 I C -0.547 175.342 176.117 -0.379 0.000 0.992 262 I CA -0.864 60.276 61.300 -0.267 0.000 1.149 262 I CB 1.913 39.803 38.000 -0.183 0.000 1.315 262 I HN 0.164 nan 8.210 nan 0.000 0.446 263 V N 4.965 124.534 119.914 -0.574 0.000 2.370 263 V HA 0.387 4.515 4.120 0.013 0.000 0.283 263 V C 0.743 176.485 176.094 -0.587 0.000 1.023 263 V CA -0.649 61.212 62.300 -0.731 0.000 0.857 263 V CB 1.393 32.461 31.823 -1.259 0.000 0.985 263 V HN 0.919 nan 8.190 nan 0.000 0.443 264 G N 2.544 111.051 108.800 -0.487 0.000 2.621 264 G HA2 0.261 4.229 3.960 0.013 0.000 0.306 264 G HA3 0.261 4.229 3.960 0.013 0.000 0.306 264 G C 0.318 174.877 174.900 -0.568 0.000 0.893 264 G CA -0.044 44.815 45.100 -0.402 0.000 1.486 264 G HN 0.672 nan 8.290 nan 0.000 0.477 265 S N 2.510 117.883 115.700 -0.545 0.000 2.835 265 S HA 0.561 5.039 4.470 0.013 0.000 0.286 265 S C 0.926 175.219 174.600 -0.511 0.000 1.194 265 S CA -0.318 57.523 58.200 -0.598 0.000 1.031 265 S CB -0.249 62.846 63.200 -0.176 0.000 1.216 265 S HN 0.711 nan 8.310 nan 0.000 0.502 266 G N 2.094 110.667 108.800 -0.378 0.000 2.451 266 G HA2 0.582 4.549 3.960 0.013 0.000 0.303 266 G HA3 0.582 4.549 3.960 0.013 0.000 0.303 266 G C -0.342 174.214 174.900 -0.574 0.000 1.166 266 G CA -0.693 44.193 45.100 -0.355 0.000 0.884 266 G HN 0.698 nan 8.290 nan 0.000 0.514 267 F N -0.385 119.520 119.950 -0.075 0.000 2.764 267 F HA 0.162 4.697 4.527 0.013 0.000 0.310 267 F C 1.154 176.958 175.800 0.006 0.000 1.124 267 F CA -0.593 57.204 58.000 -0.340 0.000 1.252 267 F CB 1.005 39.633 39.000 -0.620 0.000 1.010 267 F HN 0.439 nan 8.300 nan 0.000 0.518 268 D N 0.235 120.773 120.400 0.230 0.000 2.363 268 D HA -0.040 4.607 4.640 0.013 0.000 0.226 268 D C 1.725 178.199 176.300 0.289 0.000 1.020 268 D CA 0.467 54.653 54.000 0.310 0.000 0.892 268 D CB -0.232 40.840 40.800 0.452 0.000 0.900 268 D HN 0.218 nan 8.370 nan 0.000 0.531 269 A N 0.435 123.454 122.820 0.330 0.000 2.238 269 A HA 0.142 4.470 4.320 0.013 0.000 0.208 269 A C 1.275 178.987 177.584 0.213 0.000 1.177 269 A CA 0.094 52.258 52.037 0.212 0.000 0.804 269 A CB -0.568 18.423 19.000 -0.015 0.000 0.823 269 A HN 0.288 nan 8.150 nan 0.000 0.482 270 S N -1.280 114.664 115.700 0.406 0.000 2.573 270 S HA 0.171 4.649 4.470 0.013 0.000 0.277 270 S C 1.048 175.800 174.600 0.252 0.000 1.346 270 S CA 0.327 58.773 58.200 0.412 0.000 1.034 270 S CB 0.347 63.860 63.200 0.521 0.000 0.879 270 S HN 0.364 nan 8.310 nan 0.000 0.528 271 M N 2.279 122.001 119.600 0.203 0.000 2.195 271 M HA 0.027 4.514 4.480 0.013 0.000 0.260 271 M C 1.019 177.365 176.300 0.077 0.000 1.066 271 M CA 1.772 57.123 55.300 0.085 0.000 1.089 271 M CB -0.618 31.979 32.600 -0.004 0.000 1.377 271 M HN 0.781 nan 8.290 nan 0.000 0.411 272 L N -0.956 120.339 121.223 0.120 0.000 2.769 272 L HA 0.219 4.566 4.340 0.013 0.000 0.240 272 L C 0.233 177.212 176.870 0.182 0.000 1.163 272 L CA -0.424 54.481 54.840 0.108 0.000 0.962 272 L CB -0.349 41.725 42.059 0.025 0.000 1.258 272 L HN 0.101 nan 8.230 nan 0.000 0.513 273 D N 1.755 122.284 120.400 0.215 0.000 2.304 273 D HA 0.113 4.760 4.640 0.013 0.000 0.250 273 D C -1.434 175.000 176.300 0.223 0.000 1.107 273 D CA -1.385 52.769 54.000 0.257 0.000 0.885 273 D CB 2.223 43.209 40.800 0.309 0.000 1.192 273 D HN -0.033 nan 8.370 nan 0.000 0.436 274 P HA -0.025 nan 4.420 nan 0.000 0.222 274 P C 1.341 178.734 177.300 0.156 0.000 1.153 274 P CA 0.456 63.655 63.100 0.164 0.000 0.798 274 P CB 0.537 32.322 31.700 0.140 0.000 0.796 275 L N -1.473 119.877 121.223 0.212 0.000 2.653 275 L HA 0.405 4.752 4.340 0.013 0.000 0.231 275 L C 0.874 177.936 176.870 0.319 0.000 1.153 275 L CA -0.265 54.698 54.840 0.205 0.000 0.933 275 L CB -0.083 42.016 42.059 0.067 0.000 1.175 275 L HN -0.033 nan 8.230 nan 0.000 0.473 276 A N -0.756 122.209 122.820 0.241 0.000 2.581 276 A HA 0.665 4.993 4.320 0.013 0.000 0.290 276 A C -0.448 177.230 177.584 0.157 0.000 1.119 276 A CA -0.663 51.488 52.037 0.189 0.000 0.670 276 A CB 1.062 20.137 19.000 0.125 0.000 1.280 276 A HN 0.010 nan 8.150 nan 0.000 0.425 277 R N 0.040 120.623 120.500 0.138 0.000 2.652 277 R HA 0.293 4.640 4.340 0.013 0.000 0.372 277 R C -0.387 175.980 176.300 0.111 0.000 1.104 277 R CA -0.120 56.048 56.100 0.114 0.000 1.072 277 R CB 0.098 30.458 30.300 0.100 0.000 1.367 277 R HN 0.670 nan 8.270 nan 0.000 0.577 278 M N -0.165 119.512 119.600 0.129 0.000 2.494 278 M HA 0.417 4.905 4.480 0.013 0.000 0.300 278 M C 1.022 177.371 176.300 0.081 0.000 1.189 278 M CA -0.300 55.077 55.300 0.129 0.000 0.982 278 M CB 0.874 33.581 32.600 0.178 0.000 1.534 278 M HN -0.068 nan 8.290 nan 0.000 0.488 279 M N 0.447 120.074 119.600 0.046 0.000 2.596 279 M HA 0.216 4.704 4.480 0.013 0.000 0.364 279 M C -0.566 175.701 176.300 -0.055 0.000 1.158 279 M CA -0.186 55.117 55.300 0.006 0.000 0.940 279 M CB 0.461 33.064 32.600 0.005 0.000 1.388 279 M HN 0.223 nan 8.290 nan 0.000 0.522 280 V N 1.800 121.622 119.914 -0.153 0.000 2.572 280 V HA 0.135 4.263 4.120 0.013 0.000 0.291 280 V C 0.920 176.935 176.094 -0.133 0.000 1.039 280 V CA 0.026 62.106 62.300 -0.366 0.000 1.055 280 V CB 0.624 31.862 31.823 -0.975 0.000 0.969 280 V HN 0.525 nan 8.190 nan 0.000 0.482 281 T N 1.921 116.417 114.554 -0.096 0.000 2.923 281 T HA 0.635 4.993 4.350 0.013 0.000 0.281 281 T C 1.265 176.071 174.700 0.177 0.000 0.995 281 T CA -0.111 62.093 62.100 0.175 0.000 0.985 281 T CB 1.738 70.690 68.868 0.139 0.000 1.114 281 T HN 0.697 nan 8.240 nan 0.000 0.548 282 A N 0.155 123.147 122.820 0.285 0.000 1.940 282 A HA -0.092 4.235 4.320 0.013 0.000 0.219 282 A C 1.949 179.609 177.584 0.126 0.000 1.176 282 A CA 2.238 54.362 52.037 0.146 0.000 0.631 282 A CB -1.361 17.658 19.000 0.033 0.000 0.814 282 A HN 1.000 nan 8.150 nan 0.000 0.446 283 D N -0.927 119.552 120.400 0.130 0.000 2.178 283 D HA 0.007 4.655 4.640 0.013 0.000 0.202 283 D C 1.935 178.242 176.300 0.012 0.000 0.974 283 D CA 1.428 55.479 54.000 0.085 0.000 0.841 283 D CB -0.357 40.521 40.800 0.131 0.000 0.953 283 D HN 0.295 nan 8.370 nan 0.000 0.478 284 G N -0.637 108.122 108.800 -0.069 0.000 2.421 284 G HA2 -0.244 3.724 3.960 0.013 0.000 0.216 284 G HA3 -0.244 3.724 3.960 0.013 0.000 0.216 284 G C 1.326 176.054 174.900 -0.288 0.000 1.171 284 G CA 0.498 45.466 45.100 -0.219 0.000 0.775 284 G HN 0.258 nan 8.290 nan 0.000 0.543 285 F N 0.768 120.629 119.950 -0.149 0.000 2.171 285 F HA 0.064 4.599 4.527 0.012 0.000 0.300 285 F C 2.676 178.420 175.800 -0.095 0.000 1.090 285 F CA 1.241 59.123 58.000 -0.196 0.000 1.293 285 F CB -0.370 38.597 39.000 -0.055 0.000 1.013 285 F HN 0.025 nan 8.300 nan 0.000 0.486 286 R N 0.536 121.111 120.500 0.125 0.000 2.094 286 R HA -0.234 4.114 4.340 0.013 0.000 0.239 286 R C 2.133 178.481 176.300 0.079 0.000 1.137 286 R CA 2.124 58.278 56.100 0.091 0.000 0.943 286 R CB -0.366 29.969 30.300 0.058 0.000 0.850 286 R HN 0.350 nan 8.270 nan 0.000 0.433 287 Q N -0.342 119.479 119.800 0.035 0.000 2.119 287 Q HA -0.154 4.194 4.340 0.013 0.000 0.201 287 Q C 2.241 178.270 176.000 0.049 0.000 0.972 287 Q CA 1.899 57.725 55.803 0.038 0.000 0.847 287 Q CB -0.067 28.679 28.738 0.013 0.000 0.903 287 Q HN 0.419 nan 8.270 nan 0.000 0.433 288 M N 0.105 119.688 119.600 -0.029 0.000 2.086 288 M HA -0.181 4.307 4.480 0.013 0.000 0.261 288 M C 2.387 178.813 176.300 0.210 0.000 1.067 288 M CA 1.598 56.865 55.300 -0.055 0.000 1.116 288 M CB -0.353 31.937 32.600 -0.517 0.000 1.348 288 M HN 0.254 nan 8.290 nan 0.000 0.407 289 A N 0.277 123.283 122.820 0.310 0.000 1.877 289 A HA -0.212 4.116 4.320 0.013 0.000 0.216 289 A C 2.091 179.934 177.584 0.431 0.000 1.186 289 A CA 2.072 54.482 52.037 0.622 0.000 0.620 289 A CB -0.663 18.610 19.000 0.456 0.000 0.822 289 A HN 0.383 nan 8.150 nan 0.000 0.443 290 R N -0.031 120.622 120.500 0.255 0.000 2.094 290 R HA -0.137 4.211 4.340 0.013 0.000 0.239 290 R C 2.268 178.682 176.300 0.188 0.000 1.137 290 R CA 2.168 58.380 56.100 0.188 0.000 0.943 290 R CB -0.505 29.868 30.300 0.122 0.000 0.850 290 R HN 0.552 nan 8.270 nan 0.000 0.433 291 R N -1.129 119.479 120.500 0.180 0.000 2.091 291 R HA -0.081 4.267 4.340 0.013 0.000 0.238 291 R C 2.160 178.572 176.300 0.187 0.000 1.136 291 R CA 2.085 58.280 56.100 0.158 0.000 0.959 291 R CB -0.353 30.031 30.300 0.139 0.000 0.856 291 R HN 0.326 nan 8.270 nan 0.000 0.437 292 T N 0.712 115.428 114.554 0.271 0.000 2.896 292 T HA 0.022 4.380 4.350 0.013 0.000 0.263 292 T C 1.877 176.700 174.700 0.206 0.000 1.050 292 T CA 0.828 63.076 62.100 0.246 0.000 1.140 292 T CB -0.047 69.018 68.868 0.327 0.000 0.877 292 T HN 0.105 nan 8.240 nan 0.000 0.457 293 I N 1.616 122.357 120.570 0.284 0.000 2.179 293 I HA -0.177 4.001 4.170 0.013 0.000 0.242 293 I C 2.283 178.496 176.117 0.161 0.000 1.088 293 I CA 1.198 62.647 61.300 0.249 0.000 1.357 293 I CB -0.359 37.817 38.000 0.293 0.000 1.051 293 I HN 0.096 nan 8.210 nan 0.000 0.409 294 D N 0.120 120.608 120.400 0.146 0.000 2.123 294 D HA -0.216 4.431 4.640 0.013 0.000 0.196 294 D C 2.208 178.561 176.300 0.087 0.000 0.992 294 D CA 1.188 55.251 54.000 0.105 0.000 0.833 294 D CB -0.637 40.221 40.800 0.096 0.000 0.954 294 D HN 0.399 nan 8.370 nan 0.000 0.455 295 C N 0.965 120.321 119.300 0.093 0.000 2.432 295 C HA -0.066 4.402 4.460 0.013 0.000 0.277 295 C C 2.899 177.926 174.990 0.061 0.000 1.249 295 C CA 1.437 60.498 59.018 0.073 0.000 1.725 295 C CB -1.102 26.685 27.740 0.078 0.000 2.028 295 C HN 0.355 nan 8.230 nan 0.000 0.477 296 A N 0.408 123.268 122.820 0.066 0.000 1.917 296 A HA -0.004 4.324 4.320 0.013 0.000 0.219 296 A C 2.479 180.094 177.584 0.052 0.000 1.182 296 A CA 2.517 54.584 52.037 0.051 0.000 0.633 296 A CB -1.230 17.803 19.000 0.054 0.000 0.819 296 A HN 0.904 nan 8.150 nan 0.000 0.448 297 A N -0.422 122.436 122.820 0.064 0.000 1.940 297 A HA -0.204 4.124 4.320 0.013 0.000 0.219 297 A C 1.838 179.448 177.584 0.043 0.000 1.176 297 A CA 1.954 54.025 52.037 0.056 0.000 0.631 297 A CB -0.530 18.508 19.000 0.063 0.000 0.814 297 A HN 0.478 nan 8.150 nan 0.000 0.446 298 D N -0.361 120.065 120.400 0.043 0.000 2.149 298 D HA -0.070 4.577 4.640 0.013 0.000 0.201 298 D C 1.874 178.189 176.300 0.025 0.000 0.972 298 D CA 1.743 55.762 54.000 0.033 0.000 0.835 298 D CB -0.098 40.723 40.800 0.035 0.000 0.966 298 D HN 0.725 nan 8.370 nan 0.000 0.476 299 I N -2.171 118.414 120.570 0.025 0.000 4.139 299 I HA 0.157 4.335 4.170 0.013 0.000 0.320 299 I C 0.753 176.874 176.117 0.006 0.000 1.290 299 I CA -0.017 61.292 61.300 0.015 0.000 1.253 299 I CB 0.533 38.545 38.000 0.020 0.000 1.122 299 I HN -0.018 nan 8.210 nan 0.000 0.421 300 C N -0.316 118.991 119.300 0.013 0.000 3.151 300 C HA 0.492 4.960 4.460 0.013 0.000 0.249 300 C C 0.047 175.045 174.990 0.014 0.000 2.249 300 C CA -0.816 58.205 59.018 0.006 0.000 1.517 300 C CB -0.963 26.777 27.740 0.000 0.000 2.989 300 C HN 0.517 nan 8.230 nan 0.000 0.476 301 D N 1.084 121.495 120.400 0.019 0.000 2.945 301 D HA -0.159 4.489 4.640 0.013 0.000 0.225 301 D C 1.451 177.773 176.300 0.036 0.000 1.158 301 D CA 2.213 56.228 54.000 0.024 0.000 0.805 301 D CB -1.488 39.323 40.800 0.018 0.000 1.098 301 D HN 1.716 nan 8.370 nan 0.000 0.426 302 G N 0.087 108.913 108.800 0.043 0.000 2.155 302 G HA2 -0.407 3.561 3.960 0.013 0.000 0.257 302 G HA3 -0.407 3.561 3.960 0.013 0.000 0.257 302 G C 0.306 175.243 174.900 0.062 0.000 0.983 302 G CA 0.404 45.541 45.100 0.061 0.000 0.676 302 G HN 0.500 nan 8.290 nan 0.000 0.528 303 R N 0.031 120.557 120.500 0.042 0.000 2.387 303 R HA 0.514 4.861 4.340 0.013 0.000 0.321 303 R C 0.041 176.353 176.300 0.020 0.000 1.174 303 R CA 0.171 56.292 56.100 0.036 0.000 1.002 303 R CB 0.293 30.605 30.300 0.021 0.000 1.028 303 R HN 0.478 nan 8.270 nan 0.000 0.482 304 I N 2.247 122.841 120.570 0.040 0.000 2.569 304 I HA 0.309 4.486 4.170 0.013 0.000 0.290 304 I C -1.275 174.853 176.117 0.019 0.000 1.088 304 I CA -1.015 60.277 61.300 -0.013 0.000 1.047 304 I CB 2.108 40.111 38.000 0.005 0.000 1.237 304 I HN 0.157 nan 8.210 nan 0.000 0.421 305 V N 7.734 127.589 119.914 -0.098 0.000 2.443 305 V HA 0.421 4.548 4.120 0.013 0.000 0.293 305 V C -0.704 175.264 176.094 -0.209 0.000 1.021 305 V CA -0.425 61.848 62.300 -0.046 0.000 0.848 305 V CB 1.455 33.249 31.823 -0.049 0.000 0.998 305 V HN 0.451 nan 8.190 nan 0.000 0.424 306 F N 3.848 123.667 119.950 -0.218 0.000 2.404 306 F HA 0.615 5.149 4.527 0.012 0.000 0.345 306 F C 0.233 175.652 175.800 -0.636 0.000 1.110 306 F CA -0.480 57.241 58.000 -0.465 0.000 1.130 306 F CB 1.735 40.402 39.000 -0.555 0.000 1.129 306 F HN 0.173 nan 8.300 nan 0.000 0.500 307 V N 3.188 122.860 119.914 -0.403 0.000 2.483 307 V HA 0.251 4.379 4.120 0.013 0.000 0.297 307 V C -0.339 175.588 176.094 -0.278 0.000 1.027 307 V CA -1.088 61.022 62.300 -0.318 0.000 0.855 307 V CB 1.426 33.127 31.823 -0.203 0.000 0.995 307 V HN 0.602 nan 8.190 nan 0.000 0.424 308 Q N 4.086 123.796 119.800 -0.149 0.000 2.269 308 Q HA 0.064 4.412 4.340 0.013 0.000 0.300 308 Q C 0.358 176.307 176.000 -0.085 0.000 1.070 308 Q CA 1.108 56.928 55.803 0.027 0.000 0.957 308 Q CB 0.528 29.407 28.738 0.236 0.000 1.131 308 Q HN 0.746 nan 8.270 nan 0.000 0.377 309 E N 2.206 122.316 120.200 -0.150 0.000 3.617 309 E HA 0.432 4.790 4.350 0.013 0.000 0.351 309 E C 0.313 176.861 176.600 -0.087 0.000 0.551 309 E CA -0.014 56.276 56.400 -0.184 0.000 2.098 309 E CB -0.574 28.882 29.700 -0.407 0.000 2.118 309 E HN 0.704 nan 8.360 nan 0.000 0.450 310 G N -1.060 107.701 108.800 -0.065 0.000 2.509 310 G HA2 0.484 4.452 3.960 0.013 0.000 0.269 310 G HA3 0.484 4.452 3.960 0.013 0.000 0.269 310 G C -0.212 174.563 174.900 -0.208 0.000 1.416 310 G CA 0.069 45.156 45.100 -0.021 0.000 1.052 310 G HN 0.549 nan 8.290 nan 0.000 0.542 311 G N -2.929 105.507 108.800 -0.606 0.000 3.088 311 G HA2 0.176 4.143 3.960 0.013 0.000 0.620 311 G HA3 0.176 4.143 3.960 0.013 0.000 0.620 311 G C -0.795 173.637 174.900 -0.781 0.000 1.375 311 G CA -0.407 44.465 45.100 -0.381 0.000 1.016 311 G HN 0.727 nan 8.290 nan 0.000 0.590 312 Y N 1.043 121.466 120.300 0.206 0.000 2.610 312 Y HA 0.495 5.054 4.550 0.015 0.000 0.254 312 Y C 1.471 177.446 175.900 0.126 0.000 1.110 312 Y CA 0.042 58.247 58.100 0.176 0.000 1.238 312 Y CB 1.401 39.982 38.460 0.201 0.000 1.322 312 Y HN 0.637 nan 8.280 nan 0.000 0.547 313 S N 3.894 119.700 115.700 0.178 0.000 2.399 313 S HA 0.190 4.668 4.470 0.013 0.000 0.301 313 S C -1.526 173.071 174.600 -0.006 0.000 1.093 313 S CA -1.625 56.648 58.200 0.122 0.000 1.077 313 S CB 0.705 64.022 63.200 0.195 0.000 0.980 313 S HN 0.049 nan 8.310 nan 0.000 0.494 314 P HA -0.101 nan 4.420 nan 0.000 0.220 314 P C 0.481 177.665 177.300 -0.194 0.000 1.148 314 P CA 1.262 64.245 63.100 -0.195 0.000 0.803 314 P CB -0.008 31.524 31.700 -0.279 0.000 0.782 315 H N -2.140 116.983 119.070 0.088 0.000 2.333 315 H HA -0.059 4.504 4.556 0.012 0.000 0.302 315 H C 2.014 177.436 175.328 0.157 0.000 1.075 315 H CA 1.468 57.592 56.048 0.126 0.000 1.348 315 H CB -0.629 29.179 29.762 0.076 0.000 1.393 315 H HN 0.165 nan 8.280 nan 0.000 0.509 316 Y N -0.195 120.094 120.300 -0.019 0.000 2.535 316 Y HA 0.110 4.667 4.550 0.012 0.000 0.266 316 Y C 2.141 177.994 175.900 -0.077 0.000 1.088 316 Y CA -0.211 57.816 58.100 -0.122 0.000 1.285 316 Y CB 0.382 38.672 38.460 -0.284 0.000 1.166 316 Y HN 0.091 nan 8.280 nan 0.000 0.525 317 L N 1.431 122.562 121.223 -0.154 0.000 2.043 317 L HA -0.159 4.189 4.340 0.013 0.000 0.212 317 L C -1.121 175.360 176.870 -0.648 0.000 1.075 317 L CA 1.739 56.350 54.840 -0.382 0.000 0.752 317 L CB -1.096 40.855 42.059 -0.181 0.000 0.891 317 L HN 0.101 nan 8.230 nan 0.000 0.432 318 P HA -0.174 nan 4.420 nan 0.000 0.216 318 P C 1.227 178.033 177.300 -0.823 0.000 1.150 318 P CA 1.655 64.390 63.100 -0.609 0.000 0.837 318 P CB -0.099 31.322 31.700 -0.465 0.000 0.786 319 F N -1.318 118.337 119.950 -0.492 0.000 2.259 319 F HA -0.132 4.403 4.527 0.012 0.000 0.298 319 F C 2.424 177.824 175.800 -0.666 0.000 1.088 319 F CA 0.788 58.517 58.000 -0.453 0.000 1.358 319 F CB -1.445 37.414 39.000 -0.235 0.000 1.040 319 F HN -0.029 nan 8.300 nan 0.000 0.505 320 C N 0.012 118.807 119.300 -0.841 0.000 2.432 320 C HA -0.111 4.356 4.460 0.013 0.000 0.277 320 C C 3.160 177.268 174.990 -1.470 0.000 1.249 320 C CA 1.297 59.698 59.018 -1.028 0.000 1.725 320 C CB -1.652 25.349 27.740 -1.231 0.000 2.028 320 C HN 0.635 nan 8.230 nan 0.000 0.477 321 G N 0.094 107.676 108.800 -2.031 0.000 2.418 321 G HA2 -0.192 3.775 3.960 0.013 0.000 0.217 321 G HA3 -0.192 3.775 3.960 0.013 0.000 0.217 321 G C 1.533 175.898 174.900 -0.892 0.000 1.158 321 G CA 0.807 44.636 45.100 -2.118 0.000 0.771 321 G HN 0.460 nan 8.290 nan 0.000 0.545 322 L N 1.214 122.043 121.223 -0.658 0.000 2.083 322 L HA 0.161 4.508 4.340 0.013 0.000 0.209 322 L C 3.080 179.838 176.870 -0.187 0.000 1.083 322 L CA 1.902 56.592 54.840 -0.251 0.000 0.752 322 L CB -0.487 41.430 42.059 -0.237 0.000 0.899 322 L HN 0.235 nan 8.230 nan 0.000 0.433 323 A N -1.295 121.393 122.820 -0.220 0.000 1.902 323 A HA -0.159 4.169 4.320 0.013 0.000 0.217 323 A C 2.254 179.803 177.584 -0.058 0.000 1.181 323 A CA 2.008 53.986 52.037 -0.098 0.000 0.623 323 A CB -1.024 17.941 19.000 -0.059 0.000 0.818 323 A HN 0.281 nan 8.150 nan 0.000 0.443 324 V N 0.640 120.509 119.914 -0.075 0.000 2.307 324 V HA -0.233 3.895 4.120 0.013 0.000 0.245 324 V C 2.451 178.498 176.094 -0.080 0.000 1.045 324 V CA 1.679 63.979 62.300 0.001 0.000 1.024 324 V CB -0.653 31.277 31.823 0.178 0.000 0.651 324 V HN 0.513 nan 8.190 nan 0.000 0.449 325 I N 0.280 120.791 120.570 -0.098 0.000 2.163 325 I HA -0.261 3.917 4.170 0.013 0.000 0.243 325 I C 2.522 178.609 176.117 -0.051 0.000 1.085 325 I CA 1.815 63.069 61.300 -0.077 0.000 1.347 325 I CB -1.271 36.668 38.000 -0.103 0.000 1.044 325 I HN 0.479 nan 8.210 nan 0.000 0.408 326 E N 0.332 120.499 120.200 -0.055 0.000 2.153 326 E HA -0.209 4.148 4.350 0.013 0.000 0.194 326 E C 1.990 178.577 176.600 -0.022 0.000 0.988 326 E CA 0.773 57.147 56.400 -0.044 0.000 0.811 326 E CB 0.018 29.693 29.700 -0.042 0.000 0.746 326 E HN 0.430 nan 8.360 nan 0.000 0.466 327 E N 0.543 120.741 120.200 -0.004 0.000 2.150 327 E HA -0.124 4.234 4.350 0.013 0.000 0.193 327 E C 2.167 178.794 176.600 0.045 0.000 0.985 327 E CA 0.636 57.054 56.400 0.031 0.000 0.814 327 E CB -0.087 29.653 29.700 0.066 0.000 0.752 327 E HN 0.327 nan 8.360 nan 0.000 0.466 328 L N 0.694 121.935 121.223 0.029 0.000 2.072 328 L HA -0.121 4.227 4.340 0.013 0.000 0.205 328 L C 2.625 179.530 176.870 0.059 0.000 1.079 328 L CA 1.732 56.613 54.840 0.069 0.000 0.752 328 L CB -0.585 41.520 42.059 0.078 0.000 0.906 328 L HN 0.202 nan 8.230 nan 0.000 0.436 329 T N -3.769 110.800 114.554 0.025 0.000 3.043 329 T HA 0.081 4.438 4.350 0.013 0.000 0.263 329 T C 1.573 176.257 174.700 -0.027 0.000 1.094 329 T CA 0.588 62.692 62.100 0.007 0.000 1.127 329 T CB 0.036 68.895 68.868 -0.014 0.000 0.905 329 T HN 0.456 nan 8.240 nan 0.000 0.490 330 G N 0.630 109.414 108.800 -0.027 0.000 2.153 330 G HA2 -0.205 3.762 3.960 0.013 0.000 0.252 330 G HA3 -0.205 3.762 3.960 0.013 0.000 0.252 330 G C 0.031 174.876 174.900 -0.092 0.000 0.994 330 G CA 0.153 45.230 45.100 -0.038 0.000 0.698 330 G HN 0.801 nan 8.290 nan 0.000 0.521 331 V N 0.475 120.297 119.914 -0.153 0.000 2.378 331 V HA 0.510 4.638 4.120 0.013 0.000 0.288 331 V C 0.551 176.559 176.094 -0.144 0.000 1.016 331 V CA -0.722 61.440 62.300 -0.230 0.000 0.840 331 V CB 1.474 32.959 31.823 -0.563 0.000 0.994 331 V HN 0.331 nan 8.190 nan 0.000 0.431 332 R N 2.768 123.212 120.500 -0.094 0.000 2.369 332 R HA 0.271 4.618 4.340 0.013 0.000 0.310 332 R C 1.103 177.379 176.300 -0.040 0.000 1.141 332 R CA 0.031 56.099 56.100 -0.054 0.000 1.116 332 R CB 0.995 31.273 30.300 -0.037 0.000 1.135 332 R HN 0.851 nan 8.270 nan 0.000 0.529 333 S N 2.467 118.149 115.700 -0.030 0.000 2.517 333 S HA 0.200 4.678 4.470 0.013 0.000 0.214 333 S C 0.582 175.189 174.600 0.011 0.000 0.991 333 S CA -0.020 58.175 58.200 -0.009 0.000 0.906 333 S CB 0.395 63.597 63.200 0.003 0.000 0.789 333 S HN 0.347 nan 8.310 nan 0.000 0.513 334 L N 1.504 122.741 121.223 0.024 0.000 2.506 334 L HA 0.529 4.877 4.340 0.013 0.000 0.257 334 L C -2.756 174.147 176.870 0.055 0.000 0.964 334 L CA -2.067 52.806 54.840 0.055 0.000 0.836 334 L CB 2.302 44.433 42.059 0.120 0.000 1.384 334 L HN 0.002 nan 8.230 nan 0.000 0.410 335 P HA 0.123 nan 4.420 nan 0.000 0.274 335 P C -1.200 176.113 177.300 0.022 0.000 1.246 335 P CA -0.353 62.749 63.100 0.002 0.000 0.795 335 P CB 0.507 32.186 31.700 -0.035 0.000 1.006 336 D N 1.527 121.939 120.400 0.020 0.000 2.338 336 D HA 0.064 4.711 4.640 0.013 0.000 0.255 336 D C -1.446 174.798 176.300 -0.094 0.000 1.237 336 D CA -2.083 51.915 54.000 -0.003 0.000 0.883 336 D CB 0.456 41.365 40.800 0.182 0.000 1.087 336 D HN 0.128 nan 8.370 nan 0.000 0.485 337 P HA -0.089 nan 4.420 nan 0.000 0.233 337 P C 0.520 177.599 177.300 -0.368 0.000 1.167 337 P CA 0.676 63.552 63.100 -0.372 0.000 0.770 337 P CB -0.016 31.358 31.700 -0.543 0.000 0.837 338 Y N -1.808 118.403 120.300 -0.149 0.000 2.466 338 Y HA 0.027 4.585 4.550 0.014 0.000 0.272 338 Y C 2.676 178.595 175.900 0.032 0.000 1.169 338 Y CA 0.111 58.171 58.100 -0.067 0.000 1.285 338 Y CB -0.949 37.402 38.460 -0.181 0.000 1.078 338 Y HN 0.068 nan 8.280 nan 0.000 0.523 339 H N 0.838 119.972 119.070 0.107 0.000 2.289 339 H HA -0.179 4.385 4.556 0.013 0.000 0.296 339 H C 1.971 177.335 175.328 0.060 0.000 1.091 339 H CA 2.397 58.497 56.048 0.086 0.000 1.274 339 H CB 0.304 30.095 29.762 0.048 0.000 1.364 339 H HN 0.056 nan 8.280 nan 0.000 0.490 340 E N -0.211 120.051 120.200 0.103 0.000 2.072 340 E HA -0.155 4.203 4.350 0.013 0.000 0.191 340 E C 2.187 178.786 176.600 -0.001 0.000 0.985 340 E CA 0.826 57.247 56.400 0.036 0.000 0.801 340 E CB -0.669 29.083 29.700 0.087 0.000 0.750 340 E HN 0.516 nan 8.360 nan 0.000 0.452 341 F N 1.129 121.028 119.950 -0.084 0.000 2.126 341 F HA -0.159 4.375 4.527 0.013 0.000 0.299 341 F C 2.018 177.756 175.800 -0.104 0.000 1.096 341 F CA 1.294 59.247 58.000 -0.080 0.000 1.255 341 F CB -0.065 38.902 39.000 -0.055 0.000 0.997 341 F HN -0.061 nan 8.300 nan 0.000 0.479 342 L N -0.771 120.381 121.223 -0.118 0.000 2.307 342 L HA 0.093 4.441 4.340 0.013 0.000 0.211 342 L C 2.616 179.335 176.870 -0.252 0.000 1.099 342 L CA 0.671 55.373 54.840 -0.229 0.000 0.816 342 L CB -0.992 40.975 42.059 -0.152 0.000 0.952 342 L HN 0.158 nan 8.230 nan 0.000 0.455 343 A N 0.642 123.287 122.820 -0.292 0.000 2.015 343 A HA -0.071 4.257 4.320 0.013 0.000 0.219 343 A C 2.285 179.753 177.584 -0.193 0.000 1.163 343 A CA 1.559 53.418 52.037 -0.298 0.000 0.646 343 A CB -0.898 17.838 19.000 -0.440 0.000 0.806 343 A HN 0.412 nan 8.150 nan 0.000 0.448 344 G N -1.182 107.502 108.800 -0.192 0.000 2.650 344 G HA2 -0.001 3.967 3.960 0.013 0.000 0.214 344 G HA3 -0.001 3.967 3.960 0.013 0.000 0.214 344 G C 1.403 176.212 174.900 -0.152 0.000 1.136 344 G CA 0.650 45.658 45.100 -0.153 0.000 0.789 344 G HN 0.475 nan 8.290 nan 0.000 0.536 345 M N 0.165 119.656 119.600 -0.182 0.000 2.394 345 M HA 0.210 4.698 4.480 0.013 0.000 0.264 345 M C 1.466 177.703 176.300 -0.104 0.000 1.073 345 M CA 0.948 56.154 55.300 -0.157 0.000 1.111 345 M CB -0.057 32.434 32.600 -0.181 0.000 1.401 345 M HN 0.347 nan 8.290 nan 0.000 0.448 346 G N -1.064 107.680 108.800 -0.093 0.000 2.526 346 G HA2 0.125 4.093 3.960 0.013 0.000 0.250 346 G HA3 0.125 4.093 3.960 0.013 0.000 0.250 346 G C 0.308 175.176 174.900 -0.052 0.000 1.289 346 G CA -0.554 44.507 45.100 -0.064 0.000 0.947 346 G HN 0.669 nan 8.290 nan 0.000 0.517 347 G N -1.473 107.307 108.800 -0.033 0.000 2.195 347 G HA2 -0.260 3.708 3.960 0.013 0.000 0.246 347 G HA3 -0.260 3.708 3.960 0.013 0.000 0.246 347 G C 0.835 175.724 174.900 -0.017 0.000 0.984 347 G CA 1.180 46.269 45.100 -0.018 0.000 0.633 347 G HN 1.474 nan 8.290 nan 0.000 0.525 348 N N 0.674 119.357 118.700 -0.027 0.000 2.336 348 N HA 0.114 4.862 4.740 0.013 0.000 0.189 348 N C 0.038 175.536 175.510 -0.020 0.000 1.113 348 N CA 0.916 53.953 53.050 -0.022 0.000 0.858 348 N CB 0.536 39.008 38.487 -0.025 0.000 0.970 348 N HN 0.436 nan 8.380 nan 0.000 0.471 349 T N 1.304 115.843 114.554 -0.026 0.000 2.807 349 T HA 0.259 4.617 4.350 0.013 0.000 0.279 349 T C -0.162 174.512 174.700 -0.044 0.000 0.993 349 T CA -0.596 61.485 62.100 -0.033 0.000 0.970 349 T CB 2.184 71.032 68.868 -0.033 0.000 0.950 349 T HN -0.084 nan 8.240 nan 0.000 0.441 350 L N 5.239 126.422 121.223 -0.067 0.000 2.485 350 L HA 0.309 4.657 4.340 0.013 0.000 0.279 350 L C -0.398 176.413 176.870 -0.099 0.000 1.124 350 L CA 0.123 54.899 54.840 -0.108 0.000 0.888 350 L CB -0.541 41.397 42.059 -0.202 0.000 1.217 350 L HN 0.546 nan 8.230 nan 0.000 0.464 351 L N 4.391 125.569 121.223 -0.075 0.000 2.436 351 L HA 0.167 4.515 4.340 0.013 0.000 0.265 351 L C 1.167 177.996 176.870 -0.069 0.000 1.168 351 L CA -0.658 54.147 54.840 -0.059 0.000 0.815 351 L CB 0.376 42.412 42.059 -0.038 0.000 1.109 351 L HN 0.558 nan 8.230 nan 0.000 0.462 352 D N 1.622 121.990 120.400 -0.054 0.000 2.149 352 D HA -0.164 4.484 4.640 0.013 0.000 0.198 352 D C 1.924 178.198 176.300 -0.044 0.000 0.990 352 D CA 1.696 55.665 54.000 -0.051 0.000 0.839 352 D CB 0.115 40.894 40.800 -0.035 0.000 0.948 352 D HN 0.705 nan 8.370 nan 0.000 0.460 353 A N 0.714 123.513 122.820 -0.035 0.000 1.930 353 A HA -0.186 4.142 4.320 0.013 0.000 0.217 353 A C 2.080 179.641 177.584 -0.037 0.000 1.175 353 A CA 1.408 53.428 52.037 -0.028 0.000 0.627 353 A CB -0.399 18.591 19.000 -0.017 0.000 0.815 353 A HN 0.206 nan 8.150 nan 0.000 0.443 354 E N -0.786 119.386 120.200 -0.047 0.000 2.046 354 E HA -0.151 4.207 4.350 0.013 0.000 0.190 354 E C 2.310 178.876 176.600 -0.055 0.000 0.982 354 E CA 0.942 57.309 56.400 -0.055 0.000 0.800 354 E CB -0.188 29.476 29.700 -0.059 0.000 0.756 354 E HN 0.570 nan 8.360 nan 0.000 0.449 355 R N 0.811 121.258 120.500 -0.088 0.000 2.091 355 R HA -0.174 4.174 4.340 0.013 0.000 0.238 355 R C 2.214 178.509 176.300 -0.009 0.000 1.136 355 R CA 1.460 57.507 56.100 -0.088 0.000 0.959 355 R CB -0.226 29.977 30.300 -0.161 0.000 0.856 355 R HN 0.163 nan 8.270 nan 0.000 0.437 356 A N 0.693 123.498 122.820 -0.025 0.000 1.902 356 A HA -0.074 4.254 4.320 0.013 0.000 0.217 356 A C 2.372 179.943 177.584 -0.022 0.000 1.181 356 A CA 1.586 53.613 52.037 -0.016 0.000 0.623 356 A CB -0.740 18.248 19.000 -0.021 0.000 0.818 356 A HN 0.544 nan 8.150 nan 0.000 0.443 357 A N -0.111 122.687 122.820 -0.037 0.000 1.940 357 A HA -0.130 4.197 4.320 0.013 0.000 0.219 357 A C 2.110 179.661 177.584 -0.055 0.000 1.176 357 A CA 1.705 53.705 52.037 -0.062 0.000 0.631 357 A CB -0.582 18.368 19.000 -0.084 0.000 0.814 357 A HN 0.520 nan 8.150 nan 0.000 0.446 358 I N -1.289 119.269 120.570 -0.021 0.000 2.333 358 I HA -0.139 4.038 4.170 0.013 0.000 0.246 358 I C 2.445 178.560 176.117 -0.004 0.000 1.106 358 I CA 1.318 62.614 61.300 -0.007 0.000 1.411 358 I CB -0.208 37.841 38.000 0.081 0.000 1.082 358 I HN 0.270 nan 8.210 nan 0.000 0.420 359 E N 1.487 121.700 120.200 0.022 0.000 2.160 359 E HA -0.236 4.122 4.350 0.013 0.000 0.195 359 E C 1.874 178.468 176.600 -0.010 0.000 0.991 359 E CA 1.333 57.741 56.400 0.013 0.000 0.810 359 E CB -0.105 29.610 29.700 0.025 0.000 0.742 359 E HN 0.418 nan 8.360 nan 0.000 0.466 360 E N -0.472 119.717 120.200 -0.019 0.000 2.267 360 E HA -0.168 4.189 4.350 0.013 0.000 0.197 360 E C 1.452 178.036 176.600 -0.027 0.000 0.998 360 E CA 0.796 57.182 56.400 -0.023 0.000 0.830 360 E CB -0.011 29.671 29.700 -0.032 0.000 0.751 360 E HN 0.365 nan 8.360 nan 0.000 0.491 361 I N -0.037 120.511 120.570 -0.036 0.000 3.035 361 I HA -0.092 4.086 4.170 0.013 0.000 0.271 361 I C 2.274 178.364 176.117 -0.045 0.000 1.190 361 I CA 0.449 61.723 61.300 -0.043 0.000 1.472 361 I CB -0.813 37.155 38.000 -0.054 0.000 1.116 361 I HN -0.046 nan 8.210 nan 0.000 0.443 362 V N 2.804 122.694 119.914 -0.041 0.000 2.324 362 V HA -0.189 3.939 4.120 0.013 0.000 0.250 362 V C -0.124 175.948 176.094 -0.037 0.000 1.060 362 V CA 2.256 64.531 62.300 -0.041 0.000 1.042 362 V CB -1.940 29.861 31.823 -0.035 0.000 0.650 362 V HN 0.272 nan 8.190 nan 0.000 0.450 363 P HA -0.112 nan 4.420 nan 0.000 0.221 363 P C 1.708 178.985 177.300 -0.038 0.000 1.145 363 P CA 1.194 64.278 63.100 -0.027 0.000 0.795 363 P CB -0.096 31.593 31.700 -0.018 0.000 0.775 364 L N -1.771 119.421 121.223 -0.051 0.000 2.291 364 L HA -0.082 4.265 4.340 0.013 0.000 0.214 364 L C 2.189 179.000 176.870 -0.100 0.000 1.120 364 L CA 0.826 55.619 54.840 -0.079 0.000 0.799 364 L CB -0.903 41.102 42.059 -0.089 0.000 0.925 364 L HN 0.020 nan 8.230 nan 0.000 0.446 365 L N 0.274 121.450 121.223 -0.078 0.000 2.127 365 L HA -0.186 4.162 4.340 0.013 0.000 0.211 365 L C 2.895 179.724 176.870 -0.069 0.000 1.089 365 L CA 1.032 55.826 54.840 -0.076 0.000 0.757 365 L CB -0.749 41.280 42.059 -0.051 0.000 0.899 365 L HN 0.263 nan 8.230 nan 0.000 0.434 366 A N -0.285 122.502 122.820 -0.054 0.000 2.019 366 A HA -0.202 4.126 4.320 0.013 0.000 0.219 366 A C 1.672 179.230 177.584 -0.044 0.000 1.164 366 A CA 1.751 53.766 52.037 -0.037 0.000 0.644 366 A CB -0.354 18.632 19.000 -0.023 0.000 0.805 366 A HN 0.381 nan 8.150 nan 0.000 0.449 367 D N -0.614 119.738 120.400 -0.080 0.000 2.340 367 D HA 0.196 4.844 4.640 0.013 0.000 0.220 367 D C 0.689 176.877 176.300 -0.185 0.000 1.039 367 D CA 0.106 54.047 54.000 -0.098 0.000 0.866 367 D CB 0.088 40.827 40.800 -0.103 0.000 0.913 367 D HN 0.468 nan 8.370 nan 0.000 0.523 368 I N 0.000 120.462 120.570 -0.181 0.000 2.984 368 I HA 0.000 4.178 4.170 0.013 0.000 0.288 368 I CA 0.000 61.191 61.300 -0.181 0.000 1.566 368 I CB 0.000 37.937 38.000 -0.105 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494