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 1zz0_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 0.000 177.639 177.584 0.092 0.000 1.274 2 A CA 0.000 52.082 52.037 0.075 0.000 0.836 2 A CB 0.000 19.039 19.000 0.065 0.000 0.831 3 I N 2.922 123.556 120.570 0.107 0.000 2.354 3 I HA 0.463 4.633 4.170 0.001 0.000 0.286 3 I C 1.054 177.266 176.117 0.159 0.000 1.007 3 I CA -0.203 61.178 61.300 0.135 0.000 1.167 3 I CB 0.824 38.905 38.000 0.134 0.000 1.320 3 I HN 0.794 nan 8.210 nan 0.000 0.458 4 G N 5.584 114.485 108.800 0.170 0.000 2.539 4 G HA2 0.304 4.265 3.960 0.001 0.000 0.258 4 G HA3 0.304 4.265 3.960 0.001 0.000 0.258 4 G C -1.583 173.490 174.900 0.287 0.000 1.202 4 G CA -0.039 45.172 45.100 0.184 0.000 0.851 4 G HN 0.529 nan 8.290 nan 0.000 0.556 5 Y N 0.704 121.075 120.300 0.120 0.000 2.401 5 Y HA 0.482 5.032 4.550 0.001 0.000 0.330 5 Y C -1.104 174.886 175.900 0.149 0.000 1.071 5 Y CA -0.942 57.249 58.100 0.151 0.000 1.049 5 Y CB 1.854 40.387 38.460 0.122 0.000 1.239 5 Y HN 0.450 nan 8.280 nan 0.000 0.437 6 V N 6.728 126.413 119.914 -0.381 0.000 2.384 6 V HA 0.366 4.487 4.120 0.001 0.000 0.287 6 V C -0.949 174.926 176.094 -0.366 0.000 1.020 6 V CA -0.736 61.405 62.300 -0.266 0.000 0.850 6 V CB 1.493 33.275 31.823 -0.069 0.000 0.987 6 V HN 0.823 nan 8.190 nan 0.000 0.436 7 W N 5.935 126.949 121.300 -0.477 0.000 3.022 7 W HA 0.516 5.176 4.660 0.001 0.000 0.335 7 W C -1.674 174.540 176.519 -0.508 0.000 1.133 7 W CA -0.636 56.464 57.345 -0.408 0.000 1.219 7 W CB 2.214 31.304 29.460 -0.617 0.000 1.409 7 W HN 0.585 nan 8.180 nan 0.000 0.507 8 N N 2.274 119.894 118.700 -1.801 0.000 2.258 8 N HA 0.158 4.898 4.740 0.001 0.000 0.299 8 N C 0.577 175.050 175.510 -1.729 0.000 1.047 8 N CA -0.113 51.986 53.050 -1.584 0.000 0.814 8 N CB 2.322 39.794 38.487 -1.692 0.000 1.413 8 N HN 0.411 nan 8.380 nan 0.000 0.478 9 T N 2.873 116.863 114.554 -0.939 0.000 2.685 9 T HA -0.135 4.215 4.350 0.001 0.000 0.268 9 T C 1.832 176.064 174.700 -0.780 0.000 1.034 9 T CA 1.272 63.009 62.100 -0.604 0.000 1.149 9 T CB -0.066 68.521 68.868 -0.468 0.000 0.860 9 T HN 0.510 nan 8.240 nan 0.000 0.449 10 L N -0.387 120.298 121.223 -0.898 0.000 2.275 10 L HA -0.051 4.290 4.340 0.001 0.000 0.215 10 L C 2.174 178.849 176.870 -0.325 0.000 1.119 10 L CA 1.161 55.593 54.840 -0.679 0.000 0.790 10 L CB -0.682 41.056 42.059 -0.536 0.000 0.919 10 L HN 0.456 nan 8.230 nan 0.000 0.443 11 Y N -0.081 119.845 120.300 -0.624 0.000 2.315 11 Y HA -0.195 4.356 4.550 0.001 0.000 0.288 11 Y C 2.470 178.241 175.900 -0.215 0.000 1.154 11 Y CA 0.283 58.058 58.100 -0.542 0.000 1.229 11 Y CB -0.337 37.517 38.460 -1.010 0.000 0.980 11 Y HN 0.255 nan 8.280 nan 0.000 0.540 12 G N -1.683 107.166 108.800 0.083 0.000 2.813 12 G HA2 -0.142 3.818 3.960 0.001 0.000 0.209 12 G HA3 -0.142 3.818 3.960 0.001 0.000 0.209 12 G C 0.492 175.640 174.900 0.412 0.000 1.150 12 G CA -0.051 45.291 45.100 0.404 0.000 0.785 12 G HN 0.366 nan 8.290 nan 0.000 0.535 13 W N 0.593 121.870 121.300 -0.039 0.000 3.239 13 W HA 0.425 5.086 4.660 0.001 0.000 0.348 13 W C 0.396 176.855 176.519 -0.101 0.000 1.183 13 W CA -1.499 55.807 57.345 -0.066 0.000 1.819 13 W CB -0.434 28.987 29.460 -0.066 0.000 1.091 13 W HN -0.219 nan 8.180 nan 0.000 0.629 14 V N 2.489 122.452 119.914 0.082 0.000 2.617 14 V HA -0.123 3.997 4.120 0.001 0.000 0.304 14 V C 0.361 176.389 176.094 -0.110 0.000 1.040 14 V CA 0.475 62.761 62.300 -0.023 0.000 1.149 14 V CB 0.385 32.173 31.823 -0.058 0.000 0.914 14 V HN -0.120 nan 8.190 nan 0.000 0.487 15 D N 3.750 124.088 120.400 -0.102 0.000 2.396 15 D HA 0.196 4.837 4.640 0.001 0.000 0.225 15 D C 1.054 177.249 176.300 -0.174 0.000 1.121 15 D CA -0.180 53.740 54.000 -0.133 0.000 0.853 15 D CB 1.388 42.136 40.800 -0.087 0.000 1.043 15 D HN 0.714 nan 8.370 nan 0.000 0.500 16 T N 0.679 115.091 114.554 -0.237 0.000 3.144 16 T HA 0.467 4.818 4.350 0.001 0.000 0.249 16 T C 1.153 175.697 174.700 -0.259 0.000 1.089 16 T CA 0.113 62.001 62.100 -0.354 0.000 0.989 16 T CB 0.023 68.588 68.868 -0.505 0.000 0.992 16 T HN 0.570 nan 8.240 nan 0.000 0.540 17 G N 1.850 110.575 108.800 -0.125 0.000 2.499 17 G HA2 -0.195 3.766 3.960 0.001 0.000 0.232 17 G HA3 -0.195 3.766 3.960 0.001 0.000 0.232 17 G C 0.514 175.421 174.900 0.012 0.000 1.251 17 G CA 0.519 45.590 45.100 -0.049 0.000 0.917 17 G HN 1.079 nan 8.290 nan 0.000 0.580 18 T N -1.841 112.739 114.554 0.044 0.000 3.111 18 T HA 0.630 4.980 4.350 0.001 0.000 0.284 18 T C 1.023 175.775 174.700 0.087 0.000 0.983 18 T CA 1.159 63.297 62.100 0.063 0.000 0.900 18 T CB 0.547 69.438 68.868 0.038 0.000 1.132 18 T HN 1.939 nan 8.240 nan 0.000 0.531 19 G N 0.441 109.318 108.800 0.130 0.000 2.531 19 G HA2 0.505 4.466 3.960 0.001 0.000 0.313 19 G HA3 0.505 4.466 3.960 0.001 0.000 0.313 19 G C 0.533 175.507 174.900 0.124 0.000 1.238 19 G CA -0.422 44.753 45.100 0.126 0.000 0.994 19 G HN 0.153 nan 8.290 nan 0.000 0.493 20 S N -1.008 114.690 115.700 -0.003 0.000 2.406 20 S HA 0.036 4.507 4.470 0.001 0.000 0.224 20 S C 1.309 175.605 174.600 -0.507 0.000 1.030 20 S CA 1.062 59.164 58.200 -0.164 0.000 0.958 20 S CB -0.064 63.084 63.200 -0.087 0.000 0.811 20 S HN 0.432 nan 8.310 nan 0.000 0.489 21 L N -0.753 120.320 121.223 -0.250 0.000 2.604 21 L HA 0.603 4.944 4.340 0.001 0.000 0.150 21 L C 0.269 177.256 176.870 0.195 0.000 1.292 21 L CA 0.574 55.335 54.840 -0.132 0.000 0.977 21 L CB -0.647 41.374 42.059 -0.064 0.000 1.943 21 L HN 0.085 nan 8.230 nan 0.000 0.508 22 A N 1.042 123.923 122.820 0.103 0.000 2.280 22 A HA 0.739 5.060 4.320 0.001 0.000 0.268 22 A C 0.422 178.073 177.584 0.112 0.000 1.111 22 A CA 0.080 52.182 52.037 0.110 0.000 0.814 22 A CB -0.487 18.549 19.000 0.060 0.000 1.093 22 A HN 0.685 nan 8.150 nan 0.000 0.498 23 A N -0.491 122.381 122.820 0.086 0.000 2.448 23 A HA 0.506 4.827 4.320 0.001 0.000 0.239 23 A C 0.907 178.523 177.584 0.053 0.000 1.080 23 A CA 0.242 52.320 52.037 0.069 0.000 0.779 23 A CB -0.612 18.415 19.000 0.044 0.000 1.026 23 A HN 2.224 nan 8.150 nan 0.000 0.499 24 A N 0.947 123.796 122.820 0.049 0.000 2.483 24 A HA 0.437 4.758 4.320 0.001 0.000 0.238 24 A C 0.314 177.914 177.584 0.027 0.000 1.070 24 A CA 0.524 52.582 52.037 0.036 0.000 0.770 24 A CB -0.259 18.761 19.000 0.034 0.000 1.008 24 A HN 1.032 nan 8.150 nan 0.000 0.497 25 N N 0.899 119.612 118.700 0.022 0.000 2.519 25 N HA 0.336 5.077 4.740 0.001 0.000 0.291 25 N C 0.079 175.597 175.510 0.015 0.000 1.107 25 N CA -0.630 52.431 53.050 0.018 0.000 0.904 25 N CB 1.043 39.541 38.487 0.018 0.000 1.500 25 N HN 0.420 nan 8.380 nan 0.000 0.510 26 L N 2.887 124.118 121.223 0.013 0.000 2.109 26 L HA 0.119 4.459 4.340 0.001 0.000 0.207 26 L C 1.720 178.596 176.870 0.010 0.000 1.086 26 L CA 1.984 56.831 54.840 0.011 0.000 0.760 26 L CB -0.613 41.452 42.059 0.010 0.000 0.910 26 L HN 0.725 nan 8.230 nan 0.000 0.437 27 T N -0.187 114.373 114.554 0.009 0.000 2.788 27 T HA -0.131 4.220 4.350 0.001 0.000 0.268 27 T C 1.755 176.460 174.700 0.009 0.000 1.044 27 T CA 1.233 63.337 62.100 0.008 0.000 1.139 27 T CB -0.424 68.448 68.868 0.008 0.000 0.867 27 T HN 0.472 nan 8.240 nan 0.000 0.454 28 A N 0.793 123.619 122.820 0.010 0.000 2.209 28 A HA 0.074 4.394 4.320 0.001 0.000 0.212 28 A C 0.960 178.550 177.584 0.010 0.000 1.158 28 A CA 0.232 52.275 52.037 0.010 0.000 0.742 28 A CB -0.178 18.829 19.000 0.012 0.000 0.790 28 A HN 0.301 nan 8.150 nan 0.000 0.472 29 R N -1.899 118.608 120.500 0.011 0.000 3.525 29 R HA -0.160 4.181 4.340 0.001 0.000 0.276 29 R C -0.533 175.774 176.300 0.012 0.000 1.116 29 R CA 0.962 57.068 56.100 0.011 0.000 0.745 29 R CB -2.728 27.578 30.300 0.009 0.000 1.185 29 R HN 0.649 nan 8.270 nan 0.000 0.454 30 M N 1.045 120.653 119.600 0.013 0.000 2.261 30 M HA 0.121 4.602 4.480 0.001 0.000 0.349 30 M C 0.937 177.248 176.300 0.017 0.000 1.305 30 M CA 0.134 55.442 55.300 0.015 0.000 1.240 30 M CB 1.097 33.706 32.600 0.016 0.000 1.394 30 M HN 0.055 nan 8.290 nan 0.000 0.438 31 Q N 4.637 124.447 119.800 0.016 0.000 2.330 31 Q HA 0.198 4.539 4.340 0.001 0.000 0.279 31 Q C -2.174 173.840 176.000 0.024 0.000 1.024 31 Q CA -1.287 54.527 55.803 0.018 0.000 0.900 31 Q CB 0.661 29.409 28.738 0.016 0.000 1.221 31 Q HN 0.301 nan 8.270 nan 0.000 0.396 32 P HA 0.110 nan 4.420 nan 0.000 0.269 32 P C -0.945 176.378 177.300 0.040 0.000 1.217 32 P CA 0.169 63.290 63.100 0.035 0.000 0.783 32 P CB 0.503 32.222 31.700 0.031 0.000 0.898 33 I N -0.356 120.246 120.570 0.055 0.000 2.894 33 I HA 0.161 4.332 4.170 0.001 0.000 0.302 33 I C 0.854 177.029 176.117 0.097 0.000 1.188 33 I CA -0.412 60.928 61.300 0.066 0.000 1.014 33 I CB 2.073 40.109 38.000 0.059 0.000 1.242 33 I HN 0.169 nan 8.210 nan 0.000 0.430 34 S N 2.075 117.851 115.700 0.127 0.000 2.387 34 S HA -0.016 4.455 4.470 0.001 0.000 0.226 34 S C -0.026 174.682 174.600 0.180 0.000 1.026 34 S CA 1.104 59.409 58.200 0.174 0.000 0.972 34 S CB -0.261 63.087 63.200 0.248 0.000 0.814 34 S HN 0.546 nan 8.310 nan 0.000 0.477 35 H N 0.523 119.587 119.070 -0.011 0.000 2.718 35 H HA 0.412 4.969 4.556 0.001 0.000 0.295 35 H C -0.190 175.201 175.328 0.105 0.000 1.051 35 H CA -0.949 55.088 56.048 -0.019 0.000 1.260 35 H CB 0.038 29.681 29.762 -0.198 0.000 1.403 35 H HN 0.319 nan 8.280 nan 0.000 0.488 36 H N 2.070 121.223 119.070 0.139 0.000 2.929 36 H HA -0.049 4.508 4.556 0.001 0.000 0.358 36 H C 1.036 176.408 175.328 0.074 0.000 1.111 36 H CA 0.120 56.206 56.048 0.063 0.000 1.409 36 H CB 0.902 30.660 29.762 -0.007 0.000 1.373 36 H HN 0.674 nan 8.280 nan 0.000 0.610 37 L N 2.902 123.955 121.223 -0.283 0.000 2.089 37 L HA -0.250 4.090 4.340 0.001 0.000 0.213 37 L C 2.072 179.053 176.870 0.185 0.000 1.079 37 L CA 1.708 56.502 54.840 -0.076 0.000 0.758 37 L CB -0.487 41.429 42.059 -0.239 0.000 0.891 37 L HN 0.802 nan 8.230 nan 0.000 0.433 38 A N -2.195 120.783 122.820 0.263 0.000 2.415 38 A HA 0.019 4.339 4.320 0.001 0.000 0.248 38 A C 0.421 178.089 177.584 0.140 0.000 1.299 38 A CA -0.342 51.793 52.037 0.164 0.000 0.899 38 A CB -0.909 17.729 19.000 -0.604 0.000 0.997 38 A HN 0.435 nan 8.150 nan 0.000 0.506 39 H N 1.213 120.358 119.070 0.125 0.000 2.972 39 H HA 0.103 4.659 4.556 0.001 0.000 0.343 39 H C -1.246 174.123 175.328 0.068 0.000 1.054 39 H CA -0.307 55.765 56.048 0.039 0.000 1.412 39 H CB 1.035 30.810 29.762 0.022 0.000 1.385 39 H HN 0.104 nan 8.280 nan 0.000 0.600 40 P HA -0.121 nan 4.420 nan 0.000 0.230 40 P C 0.517 177.962 177.300 0.242 0.000 1.158 40 P CA 0.794 63.917 63.100 0.040 0.000 0.769 40 P CB 0.395 32.081 31.700 -0.023 0.000 0.807 41 D N -0.271 120.400 120.400 0.452 0.000 2.182 41 D HA -0.112 4.529 4.640 0.001 0.000 0.201 41 D C 1.863 178.305 176.300 0.238 0.000 0.986 41 D CA 1.338 55.559 54.000 0.368 0.000 0.847 41 D CB -0.846 40.186 40.800 0.387 0.000 0.942 41 D HN 0.145 nan 8.370 nan 0.000 0.467 42 T N 0.628 115.316 114.554 0.223 0.000 2.652 42 T HA -0.153 4.198 4.350 0.001 0.000 0.267 42 T C 1.880 176.675 174.700 0.159 0.000 1.039 42 T CA 1.291 63.476 62.100 0.141 0.000 1.153 42 T CB -0.081 68.859 68.868 0.120 0.000 0.863 42 T HN 0.191 nan 8.240 nan 0.000 0.428 43 K N 0.383 120.912 120.400 0.215 0.000 2.155 43 K HA 0.061 4.382 4.320 0.001 0.000 0.203 43 K C 2.504 179.211 176.600 0.179 0.000 1.052 43 K CA 0.562 57.021 56.287 0.288 0.000 0.948 43 K CB -0.066 32.643 32.500 0.349 0.000 0.728 43 K HN 0.153 nan 8.250 nan 0.000 0.448 44 R N 1.345 121.957 120.500 0.186 0.000 2.096 44 R HA -0.084 4.257 4.340 0.001 0.000 0.235 44 R C 1.999 178.253 176.300 -0.076 0.000 1.127 44 R CA 1.319 57.413 56.100 -0.010 0.000 0.968 44 R CB 0.071 30.503 30.300 0.220 0.000 0.861 44 R HN 0.067 nan 8.270 nan 0.000 0.440 45 R N -0.589 119.925 120.500 0.024 0.000 2.115 45 R HA -0.128 4.213 4.340 0.001 0.000 0.230 45 R C 2.081 178.361 176.300 -0.033 0.000 1.111 45 R CA 1.194 57.285 56.100 -0.016 0.000 0.976 45 R CB -0.353 29.949 30.300 0.004 0.000 0.870 45 R HN 0.217 nan 8.270 nan 0.000 0.445 46 F N 1.169 121.011 119.950 -0.180 0.000 2.084 46 F HA -0.196 4.331 4.527 0.001 0.000 0.296 46 F C 2.265 177.924 175.800 -0.235 0.000 1.111 46 F CA 1.912 59.778 58.000 -0.223 0.000 1.224 46 F CB -1.054 37.864 39.000 -0.138 0.000 0.991 46 F HN 0.039 nan 8.300 nan 0.000 0.471 47 H N 0.454 119.232 119.070 -0.487 0.000 2.319 47 H HA -0.161 4.396 4.556 0.001 0.000 0.297 47 H C 2.079 177.148 175.328 -0.431 0.000 1.097 47 H CA 2.595 58.254 56.048 -0.648 0.000 1.285 47 H CB -0.506 28.439 29.762 -1.362 0.000 1.368 47 H HN 0.463 nan 8.280 nan 0.000 0.495 48 E N -0.593 119.303 120.200 -0.507 0.000 2.160 48 E HA -0.151 4.199 4.350 0.001 0.000 0.195 48 E C 2.138 178.536 176.600 -0.337 0.000 0.991 48 E CA 1.014 57.159 56.400 -0.425 0.000 0.810 48 E CB -0.113 29.461 29.700 -0.209 0.000 0.742 48 E HN 0.381 nan 8.360 nan 0.000 0.466 49 L N 0.487 121.547 121.223 -0.272 0.000 2.131 49 L HA -0.096 4.245 4.340 0.001 0.000 0.206 49 L C 2.156 178.881 176.870 -0.242 0.000 1.087 49 L CA 1.056 55.752 54.840 -0.240 0.000 0.767 49 L CB -0.127 41.752 42.059 -0.299 0.000 0.917 49 L HN -0.098 nan 8.230 nan 0.000 0.441 50 V N -0.910 118.830 119.914 -0.289 0.000 2.324 50 V HA -0.395 3.725 4.120 0.001 0.000 0.250 50 V C 2.570 178.448 176.094 -0.359 0.000 1.060 50 V CA 2.046 64.136 62.300 -0.350 0.000 1.042 50 V CB -0.909 30.588 31.823 -0.543 0.000 0.650 50 V HN 0.635 nan 8.190 nan 0.000 0.450 51 C N -0.129 118.919 119.300 -0.421 0.000 2.489 51 C HA 0.065 4.526 4.460 0.001 0.000 0.279 51 C C 3.066 177.926 174.990 -0.216 0.000 1.266 51 C CA 0.571 59.390 59.018 -0.331 0.000 1.707 51 C CB -1.267 26.242 27.740 -0.384 0.000 2.059 51 C HN 0.613 nan 8.230 nan 0.000 0.481 52 A N 1.275 123.976 122.820 -0.198 0.000 2.015 52 A HA -0.112 4.209 4.320 0.001 0.000 0.219 52 A C 2.204 179.733 177.584 -0.093 0.000 1.163 52 A CA 1.974 53.936 52.037 -0.125 0.000 0.646 52 A CB -0.701 18.235 19.000 -0.105 0.000 0.806 52 A HN 0.714 nan 8.150 nan 0.000 0.448 53 S N -1.882 113.757 115.700 -0.103 0.000 2.561 53 S HA 0.318 4.789 4.470 0.001 0.000 0.225 53 S C 1.540 176.112 174.600 -0.046 0.000 0.977 53 S CA 1.145 59.310 58.200 -0.057 0.000 0.926 53 S CB -0.390 62.776 63.200 -0.057 0.000 0.769 53 S HN 1.873 nan 8.310 nan 0.000 0.533 54 G N 0.795 109.548 108.800 -0.079 0.000 2.176 54 G HA2 -0.300 3.661 3.960 0.001 0.000 0.253 54 G HA3 -0.300 3.661 3.960 0.001 0.000 0.253 54 G C 0.908 175.768 174.900 -0.067 0.000 0.979 54 G CA 0.399 45.453 45.100 -0.076 0.000 0.641 54 G HN 0.423 nan 8.290 nan 0.000 0.530 55 Q N -0.339 119.428 119.800 -0.056 0.000 2.170 55 Q HA 0.002 4.343 4.340 0.001 0.000 0.203 55 Q C 2.608 178.543 176.000 -0.109 0.000 0.976 55 Q CA 1.470 57.267 55.803 -0.009 0.000 0.858 55 Q CB -0.217 28.470 28.738 -0.084 0.000 0.907 55 Q HN 0.736 nan 8.270 nan 0.000 0.433 56 I N 1.631 122.072 120.570 -0.215 0.000 2.399 56 I HA -0.236 3.934 4.170 0.001 0.000 0.254 56 I C 1.642 177.649 176.117 -0.183 0.000 1.146 56 I CA 1.331 62.486 61.300 -0.241 0.000 1.412 56 I CB -0.001 37.859 38.000 -0.234 0.000 1.076 56 I HN 0.039 nan 8.210 nan 0.000 0.432 57 E N -0.347 119.702 120.200 -0.252 0.000 2.338 57 E HA -0.139 4.211 4.350 0.001 0.000 0.197 57 E C 1.395 177.749 176.600 -0.410 0.000 1.007 57 E CA 0.897 57.090 56.400 -0.346 0.000 0.849 57 E CB -0.365 29.064 29.700 -0.452 0.000 0.774 57 E HN 0.652 nan 8.360 nan 0.000 0.506 58 H N -0.876 118.165 119.070 -0.049 0.000 2.594 58 H HA 0.287 4.843 4.556 0.001 0.000 0.279 58 H C 0.476 175.794 175.328 -0.016 0.000 1.042 58 H CA 0.002 56.033 56.048 -0.028 0.000 1.177 58 H CB 0.805 30.548 29.762 -0.031 0.000 1.524 58 H HN 0.008 nan 8.280 nan 0.000 0.537 59 L N 0.485 121.730 121.223 0.037 0.000 2.319 59 L HA 0.358 4.698 4.340 0.001 0.000 0.267 59 L C 0.166 177.077 176.870 0.068 0.000 1.011 59 L CA -0.692 54.180 54.840 0.054 0.000 0.818 59 L CB 2.092 44.143 42.059 -0.014 0.000 1.316 59 L HN -0.159 nan 8.230 nan 0.000 0.432 60 T N 2.089 116.710 114.554 0.111 0.000 2.853 60 T HA 0.315 4.666 4.350 0.001 0.000 0.317 60 T C -2.514 172.274 174.700 0.147 0.000 1.059 60 T CA -1.257 60.905 62.100 0.104 0.000 0.954 60 T CB 0.879 69.801 68.868 0.090 0.000 0.994 60 T HN 0.205 nan 8.240 nan 0.000 0.479 61 P HA 0.207 nan 4.420 nan 0.000 0.267 61 P C -0.653 176.711 177.300 0.107 0.000 1.205 61 P CA -0.325 62.885 63.100 0.183 0.000 0.765 61 P CB 0.394 32.191 31.700 0.162 0.000 0.828 62 I N 2.393 123.015 120.570 0.087 0.000 2.436 62 I HA 0.404 4.574 4.170 0.001 0.000 0.289 62 I C 0.433 176.542 176.117 -0.012 0.000 1.010 62 I CA -1.431 59.889 61.300 0.033 0.000 1.098 62 I CB 1.325 39.346 38.000 0.034 0.000 1.266 62 I HN 0.288 nan 8.210 nan 0.000 0.434 63 A N 5.088 127.888 122.820 -0.033 0.000 2.401 63 A HA 0.682 5.002 4.320 0.001 0.000 0.259 63 A C 0.565 178.094 177.584 -0.093 0.000 1.103 63 A CA -0.335 51.655 52.037 -0.079 0.000 0.789 63 A CB 0.354 19.307 19.000 -0.077 0.000 1.035 63 A HN 0.882 nan 8.150 nan 0.000 0.491 64 A N 2.111 124.849 122.820 -0.137 0.000 2.483 64 A HA 0.497 4.818 4.320 0.001 0.000 0.238 64 A C 0.060 177.576 177.584 -0.113 0.000 1.070 64 A CA 0.000 51.968 52.037 -0.115 0.000 0.770 64 A CB 0.021 18.936 19.000 -0.142 0.000 1.008 64 A HN 1.127 nan 8.150 nan 0.000 0.497 65 V N 1.598 121.457 119.914 -0.091 0.000 2.555 65 V HA 0.562 4.683 4.120 0.001 0.000 0.302 65 V C 0.729 176.778 176.094 -0.077 0.000 1.038 65 V CA -0.398 61.851 62.300 -0.086 0.000 0.887 65 V CB 1.445 33.221 31.823 -0.079 0.000 0.991 65 V HN 1.238 nan 8.190 nan 0.000 0.434 66 A N 3.679 126.456 122.820 -0.071 0.000 2.524 66 A HA 0.578 4.898 4.320 0.001 0.000 0.250 66 A C 0.860 178.412 177.584 -0.054 0.000 1.078 66 A CA 0.418 52.422 52.037 -0.055 0.000 0.761 66 A CB -0.093 18.876 19.000 -0.052 0.000 1.012 66 A HN 1.527 nan 8.150 nan 0.000 0.500 67 A N 3.745 126.534 122.820 -0.051 0.000 2.546 67 A HA 0.460 4.781 4.320 0.001 0.000 0.243 67 A C 1.135 178.675 177.584 -0.073 0.000 1.063 67 A CA 0.582 52.577 52.037 -0.070 0.000 0.757 67 A CB -0.534 18.415 19.000 -0.085 0.000 0.991 67 A HN 1.582 nan 8.150 nan 0.000 0.503 68 T N 0.440 114.957 114.554 -0.060 0.000 2.788 68 T HA 0.228 4.578 4.350 0.001 0.000 0.287 68 T C 0.565 175.213 174.700 -0.085 0.000 1.007 68 T CA 0.139 62.206 62.100 -0.054 0.000 1.005 68 T CB 0.529 69.382 68.868 -0.025 0.000 1.012 68 T HN 0.539 nan 8.240 nan 0.000 0.530 69 D N 1.108 121.462 120.400 -0.077 0.000 2.116 69 D HA -0.111 4.530 4.640 0.001 0.000 0.193 69 D C 2.373 178.628 176.300 -0.075 0.000 0.998 69 D CA 1.961 55.906 54.000 -0.092 0.000 0.836 69 D CB -0.906 39.858 40.800 -0.060 0.000 0.951 69 D HN 0.761 nan 8.370 nan 0.000 0.449 70 A N 1.101 123.898 122.820 -0.038 0.000 1.908 70 A HA -0.223 4.098 4.320 0.001 0.000 0.218 70 A C 1.838 179.420 177.584 -0.004 0.000 1.181 70 A CA 1.954 53.983 52.037 -0.014 0.000 0.627 70 A CB -0.492 18.510 19.000 0.004 0.000 0.818 70 A HN 0.088 nan 8.150 nan 0.000 0.445 71 D N 0.096 120.495 120.400 -0.003 0.000 2.104 71 D HA -0.139 4.502 4.640 0.001 0.000 0.194 71 D C 1.908 178.191 176.300 -0.029 0.000 0.994 71 D CA 1.185 55.198 54.000 0.021 0.000 0.830 71 D CB -0.321 40.482 40.800 0.004 0.000 0.959 71 D HN 0.340 nan 8.370 nan 0.000 0.452 72 I N 0.864 121.358 120.570 -0.127 0.000 2.286 72 I HA -0.173 3.997 4.170 0.001 0.000 0.248 72 I C 2.404 178.472 176.117 -0.082 0.000 1.115 72 I CA 0.693 61.865 61.300 -0.213 0.000 1.392 72 I CB -0.928 36.733 38.000 -0.565 0.000 1.065 72 I HN 0.049 nan 8.210 nan 0.000 0.418 73 L N 0.074 121.257 121.223 -0.066 0.000 2.549 73 L HA -0.088 4.253 4.340 0.001 0.000 0.229 73 L C 2.485 179.355 176.870 0.002 0.000 1.158 73 L CA 0.491 55.318 54.840 -0.022 0.000 0.842 73 L CB -0.467 41.581 42.059 -0.019 0.000 0.952 73 L HN 0.198 nan 8.230 nan 0.000 0.452 74 R N -0.071 120.430 120.500 0.002 0.000 2.189 74 R HA -0.012 4.329 4.340 0.001 0.000 0.218 74 R C 1.987 178.254 176.300 -0.055 0.000 1.074 74 R CA 1.141 57.249 56.100 0.014 0.000 0.991 74 R CB -0.078 30.264 30.300 0.069 0.000 0.883 74 R HN 0.324 nan 8.270 nan 0.000 0.457 75 A N -0.390 122.361 122.820 -0.115 0.000 2.192 75 A HA 0.159 4.480 4.320 0.001 0.000 0.208 75 A C -0.002 177.299 177.584 -0.471 0.000 1.220 75 A CA 0.088 51.923 52.037 -0.337 0.000 0.900 75 A CB 0.278 19.041 19.000 -0.396 0.000 0.937 75 A HN 0.208 nan 8.150 nan 0.000 0.487 76 H N -0.755 118.267 119.070 -0.080 0.000 2.797 76 H HA 0.509 5.065 4.556 0.001 0.000 0.372 76 H C 0.181 175.204 175.328 -0.508 0.000 1.168 76 H CA -0.071 55.791 56.048 -0.310 0.000 1.163 76 H CB 1.672 31.449 29.762 0.025 0.000 1.778 76 H HN 0.231 nan 8.280 nan 0.000 0.551 77 S N 0.514 115.840 115.700 -0.624 0.000 2.585 77 S HA 0.264 4.735 4.470 0.001 0.000 0.273 77 S C 1.403 175.982 174.600 -0.034 0.000 1.339 77 S CA -0.246 57.783 58.200 -0.285 0.000 1.028 77 S CB 1.328 64.423 63.200 -0.175 0.000 0.906 77 S HN 0.819 nan 8.310 nan 0.000 0.528 78 A N 2.548 125.369 122.820 0.002 0.000 1.933 78 A HA 0.130 4.451 4.320 0.001 0.000 0.218 78 A C 2.395 179.990 177.584 0.018 0.000 1.175 78 A CA 1.757 53.800 52.037 0.009 0.000 0.628 78 A CB -1.625 17.383 19.000 0.014 0.000 0.814 78 A HN 1.380 nan 8.150 nan 0.000 0.444 79 A N -0.913 121.927 122.820 0.034 0.000 1.902 79 A HA -0.167 4.153 4.320 0.001 0.000 0.217 79 A C 2.040 179.666 177.584 0.069 0.000 1.181 79 A CA 2.124 54.187 52.037 0.043 0.000 0.623 79 A CB -0.838 18.191 19.000 0.048 0.000 0.818 79 A HN 0.748 nan 8.150 nan 0.000 0.443 80 H N -0.387 118.675 119.070 -0.014 0.000 2.321 80 H HA -0.098 4.459 4.556 0.001 0.000 0.300 80 H C 1.779 177.138 175.328 0.052 0.000 1.087 80 H CA 1.830 57.877 56.048 -0.001 0.000 1.319 80 H CB -0.417 29.333 29.762 -0.020 0.000 1.379 80 H HN 0.292 nan 8.280 nan 0.000 0.501 81 L N 0.755 121.924 121.223 -0.091 0.000 2.042 81 L HA -0.110 4.230 4.340 0.001 0.000 0.210 81 L C 2.284 179.115 176.870 -0.065 0.000 1.076 81 L CA 2.328 57.115 54.840 -0.088 0.000 0.749 81 L CB -0.945 41.072 42.059 -0.069 0.000 0.893 81 L HN 0.352 nan 8.230 nan 0.000 0.432 82 E N -0.302 119.874 120.200 -0.040 0.000 2.110 82 E HA -0.254 4.097 4.350 0.001 0.000 0.193 82 E C 2.079 178.658 176.600 -0.034 0.000 0.988 82 E CA 1.401 57.786 56.400 -0.026 0.000 0.804 82 E CB -0.395 29.299 29.700 -0.010 0.000 0.745 82 E HN 0.581 nan 8.360 nan 0.000 0.458 83 N N -0.783 117.893 118.700 -0.039 0.000 2.166 83 N HA -0.118 4.623 4.740 0.001 0.000 0.186 83 N C 1.442 176.908 175.510 -0.072 0.000 1.019 83 N CA 1.361 54.391 53.050 -0.034 0.000 0.856 83 N CB -0.045 38.447 38.487 0.007 0.000 0.993 83 N HN 0.149 nan 8.380 nan 0.000 0.426 84 M N 0.579 120.093 119.600 -0.144 0.000 2.175 84 M HA -0.038 4.443 4.480 0.001 0.000 0.264 84 M C 1.767 178.020 176.300 -0.079 0.000 1.063 84 M CA 1.187 56.389 55.300 -0.164 0.000 1.119 84 M CB -0.823 31.603 32.600 -0.290 0.000 1.377 84 M HN 0.145 nan 8.290 nan 0.000 0.415 85 K N -0.319 120.055 120.400 -0.043 0.000 2.063 85 K HA -0.177 4.143 4.320 0.001 0.000 0.208 85 K C 2.193 178.777 176.600 -0.027 0.000 1.048 85 K CA 1.275 57.548 56.287 -0.023 0.000 0.928 85 K CB -0.238 32.253 32.500 -0.016 0.000 0.713 85 K HN 0.254 nan 8.250 nan 0.000 0.442 86 R N 1.054 121.537 120.500 -0.029 0.000 2.080 86 R HA -0.158 4.182 4.340 0.001 0.000 0.236 86 R C 2.123 178.407 176.300 -0.026 0.000 1.137 86 R CA 1.731 57.817 56.100 -0.023 0.000 0.943 86 R CB -0.358 29.930 30.300 -0.019 0.000 0.846 86 R HN -0.001 nan 8.270 nan 0.000 0.431 87 V N 0.351 120.244 119.914 -0.036 0.000 2.343 87 V HA -0.232 3.889 4.120 0.001 0.000 0.247 87 V C 2.405 178.477 176.094 -0.037 0.000 1.051 87 V CA 2.106 64.384 62.300 -0.037 0.000 1.036 87 V CB -0.602 31.193 31.823 -0.048 0.000 0.654 87 V HN 0.456 nan 8.190 nan 0.000 0.451 88 S N 0.251 115.926 115.700 -0.042 0.000 2.400 88 S HA -0.196 4.274 4.470 0.001 0.000 0.232 88 S C 1.804 176.391 174.600 -0.022 0.000 1.025 88 S CA 1.560 59.740 58.200 -0.034 0.000 0.993 88 S CB -0.458 62.723 63.200 -0.032 0.000 0.808 88 S HN 0.641 nan 8.310 nan 0.000 0.478 89 N N 0.917 119.605 118.700 -0.020 0.000 2.494 89 N HA 0.147 4.888 4.740 0.001 0.000 0.182 89 N C 0.148 175.650 175.510 -0.013 0.000 1.076 89 N CA 0.156 53.197 53.050 -0.014 0.000 0.908 89 N CB -0.279 38.200 38.487 -0.013 0.000 0.967 89 N HN 0.450 nan 8.380 nan 0.000 0.449 90 L N 1.445 122.658 121.223 -0.016 0.000 2.461 90 L HA 0.072 4.412 4.340 0.001 0.000 0.272 90 L C -0.925 175.937 176.870 -0.013 0.000 1.197 90 L CA -1.270 53.562 54.840 -0.014 0.000 0.836 90 L CB 0.170 42.220 42.059 -0.016 0.000 1.105 90 L HN -0.122 nan 8.230 nan 0.000 0.477 91 P HA -0.155 nan 4.420 nan 0.000 0.216 91 P C 0.907 178.199 177.300 -0.013 0.000 1.150 91 P CA 1.400 64.494 63.100 -0.010 0.000 0.843 91 P CB 0.089 31.783 31.700 -0.009 0.000 0.787 92 T N -5.770 108.775 114.554 -0.015 0.000 3.252 92 T HA 0.564 4.915 4.350 0.001 0.000 0.286 92 T C 0.946 175.632 174.700 -0.024 0.000 1.013 92 T CA 0.011 62.100 62.100 -0.019 0.000 0.914 92 T CB -0.334 68.524 68.868 -0.018 0.000 1.131 92 T HN 0.298 nan 8.240 nan 0.000 0.529 93 G N 0.612 109.398 108.800 -0.023 0.000 2.564 93 G HA2 0.289 4.249 3.960 0.001 0.000 0.273 93 G HA3 0.289 4.249 3.960 0.001 0.000 0.273 93 G C 0.148 175.032 174.900 -0.027 0.000 1.242 93 G CA -0.261 44.822 45.100 -0.029 0.000 0.951 93 G HN 1.888 nan 8.290 nan 0.000 0.564 94 G N -1.764 107.016 108.800 -0.032 0.000 2.316 94 G HA2 0.559 4.520 3.960 0.001 0.000 0.296 94 G HA3 0.559 4.520 3.960 0.001 0.000 0.296 94 G C -1.215 173.670 174.900 -0.026 0.000 1.399 94 G CA 0.591 45.676 45.100 -0.025 0.000 0.833 94 G HN 1.250 nan 8.290 nan 0.000 0.565 95 D N -0.852 119.539 120.400 -0.014 0.000 2.399 95 D HA 0.400 5.041 4.640 0.001 0.000 0.241 95 D C 1.788 178.082 176.300 -0.010 0.000 1.133 95 D CA 0.881 54.877 54.000 -0.007 0.000 0.890 95 D CB 1.030 41.835 40.800 0.007 0.000 1.201 95 D HN 0.531 nan 8.370 nan 0.000 0.432 96 T N 0.199 114.748 114.554 -0.008 0.000 3.122 96 T HA 0.433 4.784 4.350 0.001 0.000 0.250 96 T C 1.203 175.907 174.700 0.008 0.000 1.067 96 T CA 0.239 62.333 62.100 -0.009 0.000 0.966 96 T CB 0.414 69.269 68.868 -0.022 0.000 1.002 96 T HN 0.567 nan 8.240 nan 0.000 0.542 97 G N 2.386 111.191 108.800 0.008 0.000 3.876 97 G HA2 -0.154 3.807 3.960 0.001 0.000 0.203 97 G HA3 -0.154 3.807 3.960 0.001 0.000 0.203 97 G C 0.590 175.495 174.900 0.008 0.000 1.162 97 G CA 0.327 45.432 45.100 0.008 0.000 0.903 97 G HN 0.539 nan 8.290 nan 0.000 0.390 98 D N 1.439 121.846 120.400 0.012 0.000 2.339 98 D HA 0.367 5.008 4.640 0.001 0.000 0.217 98 D C 1.809 178.125 176.300 0.025 0.000 1.050 98 D CA 0.948 54.957 54.000 0.016 0.000 0.856 98 D CB -0.190 40.622 40.800 0.019 0.000 0.922 98 D HN 1.666 nan 8.370 nan 0.000 0.518 99 G N 1.438 110.256 108.800 0.030 0.000 2.205 99 G HA2 -0.318 3.643 3.960 0.001 0.000 0.261 99 G HA3 -0.318 3.643 3.960 0.001 0.000 0.261 99 G C 0.872 175.812 174.900 0.066 0.000 0.980 99 G CA 0.538 45.662 45.100 0.039 0.000 0.632 99 G HN 0.689 nan 8.290 nan 0.000 0.533 100 I N -2.734 117.884 120.570 0.080 0.000 4.147 100 I HA 0.474 4.645 4.170 0.001 0.000 0.329 100 I C 0.042 176.309 176.117 0.251 0.000 1.424 100 I CA 0.129 61.530 61.300 0.168 0.000 1.127 100 I CB 1.036 39.102 38.000 0.110 0.000 1.128 100 I HN -0.067 nan 8.210 nan 0.000 0.417 101 T N 3.541 118.177 114.554 0.136 0.000 3.150 101 T HA 0.440 4.791 4.350 0.001 0.000 0.383 101 T C -0.358 174.359 174.700 0.027 0.000 1.313 101 T CA -0.289 61.886 62.100 0.125 0.000 1.235 101 T CB 0.732 69.655 68.868 0.092 0.000 1.088 101 T HN 0.352 nan 8.240 nan 0.000 0.556 102 M N 3.646 123.230 119.600 -0.026 0.000 2.249 102 M HA 0.678 5.158 4.480 0.001 0.000 0.351 102 M C -0.616 175.633 176.300 -0.084 0.000 1.180 102 M CA -0.205 55.055 55.300 -0.067 0.000 1.127 102 M CB 1.002 33.533 32.600 -0.116 0.000 1.546 102 M HN 0.499 nan 8.290 nan 0.000 0.461 103 M N 3.985 123.541 119.600 -0.074 0.000 2.326 103 M HA 0.622 5.103 4.480 0.001 0.000 0.306 103 M C -0.258 176.003 176.300 -0.066 0.000 1.054 103 M CA -0.488 54.763 55.300 -0.081 0.000 0.922 103 M CB 1.807 34.353 32.600 -0.091 0.000 1.632 103 M HN 0.955 nan 8.290 nan 0.000 0.436 104 G N 2.281 111.044 108.800 -0.062 0.000 2.616 104 G HA2 0.119 4.079 3.960 0.001 0.000 0.268 104 G HA3 0.119 4.079 3.960 0.001 0.000 0.268 104 G C -0.484 174.397 174.900 -0.031 0.000 1.213 104 G CA -0.626 44.447 45.100 -0.046 0.000 0.926 104 G HN 0.851 nan 8.290 nan 0.000 0.523 105 N N -0.550 118.136 118.700 -0.022 0.000 2.357 105 N HA 0.310 5.051 4.740 0.001 0.000 0.257 105 N C 1.418 176.926 175.510 -0.003 0.000 1.250 105 N CA 1.670 54.712 53.050 -0.013 0.000 0.862 105 N CB 0.342 38.824 38.487 -0.009 0.000 1.066 105 N HN 1.200 nan 8.380 nan 0.000 0.468 106 G N 1.886 110.682 108.800 -0.007 0.000 2.168 106 G HA2 -0.270 3.690 3.960 0.001 0.000 0.263 106 G HA3 -0.270 3.690 3.960 0.001 0.000 0.263 106 G C 0.998 175.894 174.900 -0.006 0.000 0.977 106 G CA 0.570 45.669 45.100 -0.002 0.000 0.659 106 G HN 0.920 nan 8.290 nan 0.000 0.533 107 G N 0.081 108.870 108.800 -0.018 0.000 2.470 107 G HA2 0.084 4.044 3.960 0.001 0.000 0.220 107 G HA3 0.084 4.044 3.960 0.001 0.000 0.220 107 G C 1.673 176.553 174.900 -0.034 0.000 1.121 107 G CA 1.463 46.547 45.100 -0.028 0.000 0.766 107 G HN 0.969 nan 8.290 nan 0.000 0.553 108 L N 0.818 122.024 121.223 -0.029 0.000 2.079 108 L HA -0.039 4.302 4.340 0.001 0.000 0.210 108 L C 2.553 179.444 176.870 0.035 0.000 1.081 108 L CA 2.498 57.340 54.840 0.003 0.000 0.752 108 L CB -0.496 41.574 42.059 0.018 0.000 0.896 108 L HN 0.453 nan 8.230 nan 0.000 0.433 109 E N -0.303 119.901 120.200 0.006 0.000 2.085 109 E HA -0.258 4.092 4.350 0.001 0.000 0.194 109 E C 2.143 178.737 176.600 -0.009 0.000 0.994 109 E CA 2.035 58.430 56.400 -0.009 0.000 0.801 109 E CB -0.228 29.452 29.700 -0.033 0.000 0.743 109 E HN 0.683 nan 8.360 nan 0.000 0.453 110 I N 0.642 121.208 120.570 -0.007 0.000 2.286 110 I HA -0.171 3.999 4.170 0.001 0.000 0.245 110 I C 2.653 178.801 176.117 0.051 0.000 1.104 110 I CA 0.781 62.086 61.300 0.008 0.000 1.397 110 I CB -0.459 37.545 38.000 0.007 0.000 1.072 110 I HN 0.158 nan 8.210 nan 0.000 0.417 111 A N 1.302 124.144 122.820 0.037 0.000 1.908 111 A HA -0.209 4.112 4.320 0.001 0.000 0.218 111 A C 2.433 180.146 177.584 0.214 0.000 1.181 111 A CA 1.550 53.634 52.037 0.079 0.000 0.627 111 A CB -0.601 18.368 19.000 -0.052 0.000 0.818 111 A HN 0.319 nan 8.150 nan 0.000 0.445 112 R N -0.749 119.862 120.500 0.185 0.000 2.096 112 R HA -0.034 4.306 4.340 0.001 0.000 0.235 112 R C 1.998 178.333 176.300 0.059 0.000 1.127 112 R CA 1.430 57.598 56.100 0.113 0.000 0.968 112 R CB -0.476 29.852 30.300 0.048 0.000 0.861 112 R HN 0.513 nan 8.270 nan 0.000 0.440 113 L N -0.083 121.174 121.223 0.056 0.000 2.156 113 L HA -0.126 4.215 4.340 0.001 0.000 0.208 113 L C 2.608 179.596 176.870 0.197 0.000 1.095 113 L CA 0.837 55.715 54.840 0.063 0.000 0.770 113 L CB -0.330 41.717 42.059 -0.020 0.000 0.914 113 L HN 0.184 nan 8.230 nan 0.000 0.439 114 S N -0.148 115.649 115.700 0.162 0.000 2.345 114 S HA -0.167 4.304 4.470 0.001 0.000 0.220 114 S C 2.161 176.746 174.600 -0.025 0.000 1.031 114 S CA 1.317 59.484 58.200 -0.054 0.000 0.996 114 S CB -0.078 63.032 63.200 -0.150 0.000 0.882 114 S HN 0.429 nan 8.310 nan 0.000 0.445 115 A N 0.735 123.584 122.820 0.047 0.000 1.898 115 A HA 0.154 4.475 4.320 0.001 0.000 0.216 115 A C 2.341 179.915 177.584 -0.016 0.000 1.181 115 A CA 1.733 53.794 52.037 0.040 0.000 0.620 115 A CB -1.582 17.472 19.000 0.089 0.000 0.819 115 A HN 0.634 nan 8.150 nan 0.000 0.442 116 G N -0.613 108.176 108.800 -0.019 0.000 2.432 116 G HA2 0.043 4.003 3.960 0.001 0.000 0.219 116 G HA3 0.043 4.003 3.960 0.001 0.000 0.219 116 G C 1.459 176.320 174.900 -0.065 0.000 1.135 116 G CA 1.236 46.299 45.100 -0.061 0.000 0.767 116 G HN 0.682 nan 8.290 nan 0.000 0.550 117 G N 1.123 109.915 108.800 -0.013 0.000 2.418 117 G HA2 0.053 4.014 3.960 0.001 0.000 0.217 117 G HA3 0.053 4.014 3.960 0.001 0.000 0.217 117 G C 2.057 176.926 174.900 -0.052 0.000 1.158 117 G CA 1.476 46.573 45.100 -0.005 0.000 0.771 117 G HN 0.597 nan 8.290 nan 0.000 0.545 118 A N 0.180 122.959 122.820 -0.068 0.000 1.883 118 A HA 0.021 4.342 4.320 0.001 0.000 0.217 118 A C 2.622 180.145 177.584 -0.102 0.000 1.186 118 A CA 2.010 53.999 52.037 -0.081 0.000 0.624 118 A CB -0.740 18.218 19.000 -0.070 0.000 0.822 118 A HN 0.271 nan 8.150 nan 0.000 0.444 119 V N -0.039 119.789 119.914 -0.143 0.000 2.295 119 V HA -0.237 3.883 4.120 0.001 0.000 0.246 119 V C 2.614 178.528 176.094 -0.300 0.000 1.049 119 V CA 2.443 64.573 62.300 -0.283 0.000 1.024 119 V CB -0.738 30.844 31.823 -0.402 0.000 0.648 119 V HN 0.736 nan 8.190 nan 0.000 0.447 120 E N 0.300 120.376 120.200 -0.206 0.000 2.077 120 E HA -0.229 4.121 4.350 0.001 0.000 0.193 120 E C 1.936 178.485 176.600 -0.085 0.000 0.989 120 E CA 1.375 57.686 56.400 -0.149 0.000 0.800 120 E CB -0.433 29.206 29.700 -0.102 0.000 0.746 120 E HN 0.391 nan 8.360 nan 0.000 0.452 121 L N 0.281 121.467 121.223 -0.061 0.000 2.056 121 L HA -0.111 4.229 4.340 0.001 0.000 0.207 121 L C 2.181 179.044 176.870 -0.011 0.000 1.078 121 L CA 2.203 57.032 54.840 -0.018 0.000 0.749 121 L CB -1.024 41.031 42.059 -0.007 0.000 0.901 121 L HN 0.170 nan 8.230 nan 0.000 0.433 122 T N -0.468 114.065 114.554 -0.035 0.000 2.684 122 T HA -0.268 4.083 4.350 0.001 0.000 0.267 122 T C 2.002 176.726 174.700 0.040 0.000 1.036 122 T CA 1.762 63.860 62.100 -0.003 0.000 1.148 122 T CB -0.302 68.563 68.868 -0.004 0.000 0.863 122 T HN 0.339 nan 8.240 nan 0.000 0.436 123 R N 0.804 121.314 120.500 0.017 0.000 2.091 123 R HA -0.083 4.258 4.340 0.001 0.000 0.238 123 R C 2.525 178.869 176.300 0.072 0.000 1.136 123 R CA 1.460 57.622 56.100 0.103 0.000 0.959 123 R CB -0.051 30.278 30.300 0.049 0.000 0.856 123 R HN 0.345 nan 8.270 nan 0.000 0.437 124 R N -0.544 119.979 120.500 0.038 0.000 2.119 124 R HA 0.005 4.346 4.340 0.001 0.000 0.222 124 R C 2.259 178.587 176.300 0.047 0.000 1.088 124 R CA 0.949 57.074 56.100 0.041 0.000 0.984 124 R CB 0.010 30.330 30.300 0.033 0.000 0.884 124 R HN 0.099 nan 8.270 nan 0.000 0.447 125 V N 1.099 121.042 119.914 0.048 0.000 2.358 125 V HA -0.188 3.933 4.120 0.001 0.000 0.246 125 V C 2.394 178.515 176.094 0.046 0.000 1.047 125 V CA 1.965 64.295 62.300 0.051 0.000 1.035 125 V CB -0.504 31.350 31.823 0.051 0.000 0.658 125 V HN 0.361 nan 8.190 nan 0.000 0.452 126 A N 0.664 123.513 122.820 0.049 0.000 1.969 126 A HA -0.192 4.129 4.320 0.001 0.000 0.218 126 A C 2.428 180.036 177.584 0.040 0.000 1.169 126 A CA 2.175 54.238 52.037 0.045 0.000 0.635 126 A CB -0.842 18.193 19.000 0.059 0.000 0.810 126 A HN 0.629 nan 8.150 nan 0.000 0.445 127 T N -4.236 110.345 114.554 0.045 0.000 3.035 127 T HA 0.322 4.672 4.350 0.001 0.000 0.268 127 T C 1.533 176.253 174.700 0.032 0.000 1.109 127 T CA 1.257 63.379 62.100 0.037 0.000 1.119 127 T CB -0.205 68.688 68.868 0.041 0.000 0.900 127 T HN 1.698 nan 8.240 nan 0.000 0.503 128 G N 1.097 109.918 108.800 0.036 0.000 2.176 128 G HA2 -0.329 3.632 3.960 0.001 0.000 0.253 128 G HA3 -0.329 3.632 3.960 0.001 0.000 0.253 128 G C 0.599 175.521 174.900 0.037 0.000 0.979 128 G CA 0.642 45.763 45.100 0.035 0.000 0.641 128 G HN 0.607 nan 8.290 nan 0.000 0.530 129 E N -0.465 119.758 120.200 0.038 0.000 2.085 129 E HA 0.013 4.363 4.350 0.001 0.000 0.194 129 E C 1.004 177.631 176.600 0.046 0.000 0.994 129 E CA 0.850 57.273 56.400 0.039 0.000 0.801 129 E CB -0.056 29.666 29.700 0.037 0.000 0.743 129 E HN 0.629 nan 8.360 nan 0.000 0.453 130 L N -0.290 120.964 121.223 0.053 0.000 2.341 130 L HA 0.201 4.541 4.340 0.001 0.000 0.267 130 L C 1.241 178.151 176.870 0.067 0.000 1.009 130 L CA -0.367 54.512 54.840 0.065 0.000 0.819 130 L CB 1.923 44.027 42.059 0.075 0.000 1.323 130 L HN -0.029 nan 8.230 nan 0.000 0.425 131 S N 0.332 116.077 115.700 0.076 0.000 2.446 131 S HA 0.415 4.886 4.470 0.001 0.000 0.225 131 S C 0.524 175.182 174.600 0.096 0.000 1.016 131 S CA 0.386 58.633 58.200 0.078 0.000 0.943 131 S CB 0.264 63.510 63.200 0.077 0.000 0.786 131 S HN 0.792 nan 8.310 nan 0.000 0.508 132 A N -0.947 121.943 122.820 0.118 0.000 2.483 132 A HA 0.774 5.095 4.320 0.001 0.000 0.294 132 A C -0.324 177.368 177.584 0.180 0.000 1.077 132 A CA -0.391 51.740 52.037 0.157 0.000 0.633 132 A CB 0.510 19.631 19.000 0.202 0.000 1.318 132 A HN 1.300 nan 8.150 nan 0.000 0.455 133 G N -1.784 107.158 108.800 0.236 0.000 2.506 133 G HA2 0.574 4.534 3.960 0.001 0.000 0.292 133 G HA3 0.574 4.534 3.960 0.001 0.000 0.292 133 G C -2.303 172.803 174.900 0.342 0.000 1.425 133 G CA -0.336 44.920 45.100 0.260 0.000 0.788 133 G HN 1.515 nan 8.290 nan 0.000 0.490 134 Y N 0.642 121.088 120.300 0.242 0.000 2.326 134 Y HA 0.602 5.153 4.550 0.001 0.000 0.329 134 Y C 0.104 176.077 175.900 0.122 0.000 0.973 134 Y CA -0.626 57.623 58.100 0.249 0.000 1.162 134 Y CB 1.878 40.507 38.460 0.282 0.000 1.147 134 Y HN 0.824 nan 8.280 nan 0.000 0.456 135 A N 6.282 129.080 122.820 -0.036 0.000 2.294 135 A HA 0.409 4.730 4.320 0.001 0.000 0.316 135 A C -1.181 176.416 177.584 0.022 0.000 1.359 135 A CA -0.574 51.444 52.037 -0.031 0.000 0.956 135 A CB 0.083 19.030 19.000 -0.088 0.000 1.155 135 A HN 0.674 nan 8.150 nan 0.000 0.544 136 L N 5.819 127.128 121.223 0.143 0.000 2.423 136 L HA 0.368 4.709 4.340 0.001 0.000 0.249 136 L C 0.226 177.125 176.870 0.048 0.000 1.276 136 L CA -0.085 54.907 54.840 0.254 0.000 1.199 136 L CB -0.364 41.802 42.059 0.178 0.000 1.407 136 L HN 0.548 nan 8.230 nan 0.000 0.410 137 V N 1.482 121.247 119.914 -0.249 0.000 3.134 137 V HA 0.744 4.865 4.120 0.001 0.000 0.313 137 V C -0.154 175.557 176.094 -0.639 0.000 1.069 137 V CA -0.632 61.129 62.300 -0.897 0.000 1.048 137 V CB 1.742 33.169 31.823 -0.660 0.000 1.119 137 V HN 0.780 nan 8.190 nan 0.000 0.461 138 N N 1.306 119.482 118.700 -0.875 0.000 2.635 138 N HA 0.519 5.259 4.740 0.001 0.000 0.260 138 N C -3.249 172.100 175.510 -0.267 0.000 1.078 138 N CA -0.993 51.854 53.050 -0.338 0.000 1.012 138 N CB 2.710 41.121 38.487 -0.127 0.000 1.677 138 N HN 0.622 nan 8.380 nan 0.000 0.514 139 P HA 0.318 nan 4.420 nan 0.000 0.274 139 P C -2.696 174.574 177.300 -0.051 0.000 1.246 139 P CA -0.855 62.208 63.100 -0.061 0.000 0.795 139 P CB 0.179 31.857 31.700 -0.037 0.000 1.006 140 P HA 0.148 nan 4.420 nan 0.000 0.279 140 P C 0.417 177.766 177.300 0.081 0.000 1.282 140 P CA 0.077 63.200 63.100 0.038 0.000 0.788 140 P CB 0.548 32.313 31.700 0.108 0.000 1.139 141 G N -1.458 107.397 108.800 0.091 0.000 2.649 141 G HA2 -0.032 3.928 3.960 0.001 0.000 0.199 141 G HA3 -0.032 3.928 3.960 0.001 0.000 0.199 141 G C 1.146 176.164 174.900 0.195 0.000 1.085 141 G CA 0.335 45.521 45.100 0.143 0.000 0.804 141 G HN 0.730 nan 8.290 nan 0.000 0.671 142 H N -1.483 117.557 119.070 -0.050 0.000 2.524 142 H HA 0.131 4.688 4.556 0.001 0.000 0.282 142 H C 1.823 177.092 175.328 -0.100 0.000 1.016 142 H CA 0.873 56.864 56.048 -0.095 0.000 1.270 142 H CB -0.103 29.564 29.762 -0.159 0.000 1.394 142 H HN 0.277 nan 8.280 nan 0.000 0.568 143 H N 0.948 119.989 119.070 -0.048 0.000 2.551 143 H HA 0.344 4.901 4.556 0.001 0.000 0.266 143 H C 0.694 176.006 175.328 -0.027 0.000 0.964 143 H CA 0.491 56.466 56.048 -0.122 0.000 1.180 143 H CB 0.050 29.791 29.762 -0.035 0.000 1.408 143 H HN 0.503 nan 8.280 nan 0.000 0.563 144 A N 4.085 126.993 122.820 0.147 0.000 2.396 144 A HA 0.270 4.591 4.320 0.001 0.000 0.279 144 A C -1.946 175.724 177.584 0.143 0.000 1.165 144 A CA -1.095 51.012 52.037 0.117 0.000 0.824 144 A CB 0.434 19.523 19.000 0.149 0.000 1.100 144 A HN 0.084 nan 8.150 nan 0.000 0.516 145 P HA 0.130 nan 4.420 nan 0.000 0.306 145 P C 0.571 177.933 177.300 0.103 0.000 1.309 145 P CA -0.193 62.928 63.100 0.035 0.000 0.759 145 P CB 0.603 32.291 31.700 -0.020 0.000 1.314 146 H N -0.320 118.718 119.070 -0.054 0.000 2.352 146 H HA -0.112 4.444 4.556 0.001 0.000 0.299 146 H C 1.351 176.746 175.328 0.110 0.000 1.097 146 H CA 2.273 58.304 56.048 -0.028 0.000 1.311 146 H CB -0.154 29.547 29.762 -0.102 0.000 1.377 146 H HN 0.358 nan 8.280 nan 0.000 0.504 147 N N -0.392 118.306 118.700 -0.004 0.000 2.275 147 N HA 0.321 5.062 4.740 0.001 0.000 0.236 147 N C -1.146 174.243 175.510 -0.203 0.000 1.154 147 N CA 0.397 53.402 53.050 -0.075 0.000 0.866 147 N CB 0.471 38.977 38.487 0.032 0.000 1.093 147 N HN 0.363 nan 8.380 nan 0.000 0.515 148 A N -0.084 122.460 122.820 -0.459 0.000 2.601 148 A HA 0.715 5.036 4.320 0.001 0.000 0.291 148 A C -1.452 175.759 177.584 -0.621 0.000 1.075 148 A CA -0.590 51.163 52.037 -0.474 0.000 0.671 148 A CB 0.919 19.817 19.000 -0.169 0.000 1.277 148 A HN 0.141 nan 8.150 nan 0.000 0.417 149 A N 0.738 123.400 122.820 -0.264 0.000 2.293 149 A HA 0.880 5.201 4.320 0.001 0.000 0.302 149 A C -0.212 177.348 177.584 -0.039 0.000 1.119 149 A CA -0.171 51.816 52.037 -0.083 0.000 0.823 149 A CB 0.783 19.799 19.000 0.027 0.000 1.097 149 A HN 1.747 nan 8.150 nan 0.000 0.491 150 M N 1.306 120.911 119.600 0.008 0.000 2.523 150 M HA 0.479 4.959 4.480 0.001 0.000 0.287 150 M C 0.245 176.568 176.300 0.039 0.000 1.160 150 M CA 0.779 56.096 55.300 0.029 0.000 0.902 150 M CB 1.712 34.333 32.600 0.035 0.000 1.752 150 M HN 2.057 nan 8.290 nan 0.000 0.504 151 G N 3.266 111.997 108.800 -0.115 0.000 2.323 151 G HA2 -0.274 3.687 3.960 0.001 0.000 0.292 151 G HA3 -0.274 3.687 3.960 0.001 0.000 0.292 151 G C 0.125 174.828 174.900 -0.328 0.000 1.040 151 G CA 0.779 45.560 45.100 -0.532 0.000 0.942 151 G HN 1.227 nan 8.290 nan 0.000 0.506 152 F N -4.692 115.261 119.950 0.004 0.000 2.656 152 F HA -0.301 4.227 4.527 0.001 0.000 0.381 152 F C 1.236 177.060 175.800 0.040 0.000 0.603 152 F CA 0.126 58.144 58.000 0.030 0.000 1.335 152 F CB -2.007 37.047 39.000 0.090 0.000 1.836 152 F HN 0.527 nan 8.300 nan 0.000 0.290 153 C N 2.139 121.560 119.300 0.202 0.000 2.303 153 C HA 0.485 4.945 4.460 0.001 0.000 0.326 153 C C 1.802 176.802 174.990 0.016 0.000 1.285 153 C CA -0.870 58.225 59.018 0.129 0.000 1.675 153 C CB 0.702 28.549 27.740 0.178 0.000 2.289 153 C HN 0.221 nan 8.230 nan 0.000 0.512 154 I N 1.026 121.537 120.570 -0.097 0.000 2.385 154 I HA 0.217 4.388 4.170 0.001 0.000 0.244 154 I C 0.310 176.152 176.117 -0.458 0.000 1.089 154 I CA 1.249 62.335 61.300 -0.357 0.000 1.410 154 I CB -0.616 37.024 38.000 -0.599 0.000 1.117 154 I HN 0.388 nan 8.210 nan 0.000 0.429 155 F N 0.478 120.445 119.950 0.029 0.000 2.563 155 F HA 0.380 4.907 4.527 0.001 0.000 0.316 155 F C 0.723 176.647 175.800 0.208 0.000 1.076 155 F CA -1.604 56.419 58.000 0.038 0.000 0.921 155 F CB 0.408 39.435 39.000 0.044 0.000 1.209 155 F HN -0.124 nan 8.300 nan 0.000 0.462 156 N N 2.684 121.797 118.700 0.689 0.000 2.605 156 N HA 0.013 4.754 4.740 0.001 0.000 0.258 156 N C 0.631 176.305 175.510 0.273 0.000 1.156 156 N CA 0.203 53.479 53.050 0.377 0.000 1.008 156 N CB 0.025 38.682 38.487 0.284 0.000 1.354 156 N HN 0.544 nan 8.380 nan 0.000 0.509 157 N N 1.100 119.916 118.700 0.192 0.000 2.061 157 N HA -0.194 4.547 4.740 0.001 0.000 0.193 157 N C 1.627 177.184 175.510 0.077 0.000 1.030 157 N CA 2.148 55.264 53.050 0.109 0.000 0.856 157 N CB -0.532 37.972 38.487 0.029 0.000 1.023 157 N HN 0.626 nan 8.380 nan 0.000 0.424 158 T N -2.039 112.554 114.554 0.064 0.000 2.867 158 T HA 0.052 4.402 4.350 0.001 0.000 0.268 158 T C 2.092 176.868 174.700 0.126 0.000 1.057 158 T CA 1.208 63.332 62.100 0.039 0.000 1.136 158 T CB -0.338 68.522 68.868 -0.012 0.000 0.874 158 T HN 0.009 nan 8.240 nan 0.000 0.466 159 S N 0.941 116.777 115.700 0.228 0.000 2.406 159 S HA 0.033 4.503 4.470 0.001 0.000 0.228 159 S C 2.194 176.988 174.600 0.322 0.000 1.020 159 S CA 0.765 59.214 58.200 0.415 0.000 0.965 159 S CB -0.444 62.986 63.200 0.383 0.000 0.798 159 S HN 0.390 nan 8.310 nan 0.000 0.488 160 V N 2.158 122.185 119.914 0.188 0.000 2.343 160 V HA -0.208 3.912 4.120 0.001 0.000 0.247 160 V C 2.665 178.851 176.094 0.152 0.000 1.051 160 V CA 1.758 64.143 62.300 0.142 0.000 1.036 160 V CB -1.184 30.694 31.823 0.092 0.000 0.654 160 V HN 0.537 nan 8.190 nan 0.000 0.451 161 A N -0.051 122.834 122.820 0.108 0.000 1.902 161 A HA -0.105 4.216 4.320 0.001 0.000 0.217 161 A C 2.408 180.071 177.584 0.131 0.000 1.181 161 A CA 2.102 54.188 52.037 0.082 0.000 0.623 161 A CB -0.765 18.242 19.000 0.011 0.000 0.818 161 A HN 0.570 nan 8.150 nan 0.000 0.443 162 A N -0.578 122.309 122.820 0.112 0.000 1.930 162 A HA 0.176 4.497 4.320 0.001 0.000 0.217 162 A C 2.382 180.032 177.584 0.109 0.000 1.175 162 A CA 1.778 53.825 52.037 0.017 0.000 0.627 162 A CB -1.290 17.592 19.000 -0.196 0.000 0.815 162 A HN 0.707 nan 8.150 nan 0.000 0.443 163 G N -1.689 107.303 108.800 0.320 0.000 2.422 163 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 163 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 163 G C 1.547 176.574 174.900 0.211 0.000 1.146 163 G CA 1.232 46.545 45.100 0.356 0.000 0.769 163 G HN 0.608 nan 8.290 nan 0.000 0.547 164 Y N 1.847 122.194 120.300 0.078 0.000 2.200 164 Y HA 0.069 4.620 4.550 0.001 0.000 0.290 164 Y C 2.894 178.806 175.900 0.021 0.000 1.137 164 Y CA 1.447 59.569 58.100 0.038 0.000 1.163 164 Y CB -0.203 38.271 38.460 0.023 0.000 0.988 164 Y HN 0.241 nan 8.280 nan 0.000 0.518 165 A N 0.910 123.832 122.820 0.170 0.000 1.902 165 A HA -0.154 4.167 4.320 0.001 0.000 0.217 165 A C 2.296 179.855 177.584 -0.041 0.000 1.181 165 A CA 1.527 53.597 52.037 0.055 0.000 0.623 165 A CB -0.485 18.551 19.000 0.060 0.000 0.818 165 A HN 0.407 nan 8.150 nan 0.000 0.443 166 R N -0.572 119.915 120.500 -0.021 0.000 2.061 166 R HA -0.047 4.294 4.340 0.001 0.000 0.230 166 R C 2.447 178.718 176.300 -0.048 0.000 1.140 166 R CA 1.607 57.691 56.100 -0.027 0.000 0.940 166 R CB -1.009 29.302 30.300 0.018 0.000 0.839 166 R HN 0.507 nan 8.270 nan 0.000 0.429 167 A N 0.155 122.946 122.820 -0.048 0.000 1.975 167 A HA 0.008 4.328 4.320 0.001 0.000 0.215 167 A C 2.296 179.788 177.584 -0.152 0.000 1.170 167 A CA 0.908 52.904 52.037 -0.068 0.000 0.656 167 A CB 0.014 18.999 19.000 -0.024 0.000 0.821 167 A HN 0.117 nan 8.150 nan 0.000 0.449 168 V N -0.588 119.143 119.914 -0.304 0.000 2.672 168 V HA 0.044 4.165 4.120 0.001 0.000 0.242 168 V C 2.101 178.000 176.094 -0.325 0.000 1.059 168 V CA 0.995 63.043 62.300 -0.421 0.000 1.081 168 V CB -0.405 30.870 31.823 -0.914 0.000 0.752 168 V HN 0.483 nan 8.190 nan 0.000 0.472 169 L N 0.693 121.729 121.223 -0.311 0.000 2.509 169 L HA 0.347 4.688 4.340 0.001 0.000 0.222 169 L C 1.719 178.532 176.870 -0.095 0.000 1.123 169 L CA 0.881 55.628 54.840 -0.156 0.000 0.856 169 L CB -0.487 41.521 42.059 -0.085 0.000 0.985 169 L HN 0.565 nan 8.230 nan 0.000 0.456 170 G N 0.755 109.497 108.800 -0.097 0.000 2.160 170 G HA2 -0.306 3.654 3.960 0.001 0.000 0.251 170 G HA3 -0.306 3.654 3.960 0.001 0.000 0.251 170 G C 0.272 175.139 174.900 -0.055 0.000 1.008 170 G CA -0.001 45.059 45.100 -0.067 0.000 0.724 170 G HN 0.252 nan 8.290 nan 0.000 0.514 171 M N -0.170 119.397 119.600 -0.055 0.000 2.238 171 M HA 0.263 4.744 4.480 0.001 0.000 0.347 171 M C 1.304 177.568 176.300 -0.060 0.000 1.173 171 M CA -0.125 55.144 55.300 -0.052 0.000 1.147 171 M CB 0.650 33.223 32.600 -0.046 0.000 1.547 171 M HN 0.013 nan 8.290 nan 0.000 0.455 172 E N 1.962 122.120 120.200 -0.069 0.000 2.190 172 E HA 0.120 4.470 4.350 0.001 0.000 0.191 172 E C -0.023 176.519 176.600 -0.096 0.000 0.978 172 E CA 0.946 57.297 56.400 -0.080 0.000 0.839 172 E CB 0.394 30.039 29.700 -0.091 0.000 0.787 172 E HN 0.533 nan 8.360 nan 0.000 0.473 173 R N 0.071 120.509 120.500 -0.104 0.000 2.514 173 R HA 0.505 4.846 4.340 0.001 0.000 0.296 173 R C -1.194 175.102 176.300 -0.007 0.000 1.012 173 R CA -0.387 55.661 56.100 -0.087 0.000 0.897 173 R CB 2.491 32.594 30.300 -0.328 0.000 1.184 173 R HN -0.186 nan 8.270 nan 0.000 0.440 174 V N 1.592 121.528 119.914 0.035 0.000 2.735 174 V HA 0.754 4.875 4.120 0.001 0.000 0.310 174 V C -0.443 175.648 176.094 -0.005 0.000 1.061 174 V CA -0.914 61.370 62.300 -0.027 0.000 0.913 174 V CB 1.986 33.709 31.823 -0.167 0.000 1.005 174 V HN 0.885 nan 8.190 nan 0.000 0.428 175 A N 4.736 127.539 122.820 -0.028 0.000 2.330 175 A HA 0.905 5.226 4.320 0.001 0.000 0.327 175 A C -0.843 176.645 177.584 -0.159 0.000 1.155 175 A CA -0.518 51.449 52.037 -0.117 0.000 0.803 175 A CB 0.779 19.753 19.000 -0.044 0.000 1.208 175 A HN 0.760 nan 8.150 nan 0.000 0.477 176 I N 2.925 123.387 120.570 -0.180 0.000 2.382 176 I HA 0.266 4.436 4.170 0.001 0.000 0.285 176 I C -0.919 175.129 176.117 -0.115 0.000 1.007 176 I CA -0.589 60.619 61.300 -0.154 0.000 1.142 176 I CB 1.595 39.518 38.000 -0.128 0.000 1.289 176 I HN 0.555 nan 8.210 nan 0.000 0.453 177 L N 7.044 128.180 121.223 -0.146 0.000 2.287 177 L HA 0.522 4.862 4.340 0.001 0.000 0.287 177 L C -0.739 176.045 176.870 -0.142 0.000 1.022 177 L CA 0.132 54.917 54.840 -0.092 0.000 0.814 177 L CB 1.156 43.166 42.059 -0.082 0.000 1.217 177 L HN 0.423 nan 8.230 nan 0.000 0.420 178 D N 4.544 124.941 120.400 -0.004 0.000 2.441 178 D HA 0.214 4.855 4.640 0.001 0.000 0.231 178 D C -0.295 176.120 176.300 0.192 0.000 1.073 178 D CA -0.468 53.534 54.000 0.004 0.000 0.850 178 D CB 0.662 41.531 40.800 0.114 0.000 1.062 178 D HN 0.609 nan 8.370 nan 0.000 0.524 179 W N 3.500 124.867 121.300 0.112 0.000 3.123 179 W HA 0.360 5.021 4.660 0.001 0.000 0.383 179 W C 0.091 176.713 176.519 0.172 0.000 1.102 179 W CA -0.959 56.508 57.345 0.204 0.000 1.865 179 W CB -0.789 28.824 29.460 0.256 0.000 1.111 179 W HN 0.144 nan 8.180 nan 0.000 0.621 180 D N 1.576 122.145 120.400 0.283 0.000 2.548 180 D HA -0.152 4.489 4.640 0.001 0.000 0.231 180 D C 1.289 177.792 176.300 0.338 0.000 1.142 180 D CA 0.495 54.616 54.000 0.202 0.000 0.866 180 D CB 2.090 42.826 40.800 -0.107 0.000 1.190 180 D HN 0.066 nan 8.370 nan 0.000 0.469 181 V N 4.070 124.125 119.914 0.236 0.000 3.078 181 V HA -0.150 3.971 4.120 0.001 0.000 0.265 181 V C 0.298 176.454 176.094 0.103 0.000 1.122 181 V CA 1.414 63.808 62.300 0.157 0.000 1.141 181 V CB -0.636 31.192 31.823 0.008 0.000 0.735 181 V HN 0.490 nan 8.190 nan 0.000 0.498 182 H N -1.213 118.160 119.070 0.504 0.000 2.502 182 H HA 0.443 4.999 4.556 0.001 0.000 0.338 182 H C -0.132 175.464 175.328 0.446 0.000 1.155 182 H CA -0.634 55.718 56.048 0.508 0.000 1.237 182 H CB 0.708 30.845 29.762 0.626 0.000 1.534 182 H HN 0.351 nan 8.280 nan 0.000 0.523 183 H N 0.754 119.951 119.070 0.212 0.000 2.886 183 H HA 0.118 4.674 4.556 0.001 0.000 0.329 183 H C 0.636 175.914 175.328 -0.083 0.000 1.044 183 H CA -0.320 55.598 56.048 -0.218 0.000 1.456 183 H CB 0.523 29.948 29.762 -0.561 0.000 1.464 183 H HN 0.851 nan 8.280 nan 0.000 0.573 184 G N 5.073 113.615 108.800 -0.431 0.000 3.102 184 G HA2 -0.097 3.864 3.960 0.001 0.000 0.264 184 G HA3 -0.097 3.864 3.960 0.001 0.000 0.264 184 G C 0.963 175.471 174.900 -0.655 0.000 0.788 184 G CA -0.088 44.740 45.100 -0.454 0.000 2.029 184 G HN 0.899 nan 8.290 nan 0.000 0.608 185 N N 1.185 119.446 118.700 -0.731 0.000 2.244 185 N HA -0.105 4.636 4.740 0.001 0.000 0.183 185 N C 2.084 177.489 175.510 -0.175 0.000 1.016 185 N CA 1.318 54.086 53.050 -0.471 0.000 0.866 185 N CB -0.468 37.903 38.487 -0.192 0.000 0.980 185 N HN 0.291 nan 8.380 nan 0.000 0.430 186 G N 0.695 109.429 108.800 -0.110 0.000 2.404 186 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 186 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 186 G C 1.506 176.412 174.900 0.010 0.000 1.174 186 G CA 1.537 46.626 45.100 -0.018 0.000 0.780 186 G HN 0.404 nan 8.290 nan 0.000 0.537 187 T N 0.445 115.027 114.554 0.047 0.000 2.746 187 T HA -0.161 4.189 4.350 0.001 0.000 0.267 187 T C 2.264 177.110 174.700 0.243 0.000 1.039 187 T CA 1.584 63.794 62.100 0.183 0.000 1.142 187 T CB -0.277 68.707 68.868 0.193 0.000 0.866 187 T HN 0.463 nan 8.240 nan 0.000 0.444 188 Q N 0.888 120.780 119.800 0.153 0.000 2.061 188 Q HA -0.225 4.115 4.340 0.001 0.000 0.204 188 Q C 1.719 177.882 176.000 0.273 0.000 0.984 188 Q CA 1.997 57.959 55.803 0.265 0.000 0.846 188 Q CB -0.184 28.702 28.738 0.246 0.000 0.902 188 Q HN 0.391 nan 8.270 nan 0.000 0.421 189 D N 0.443 120.886 120.400 0.071 0.000 2.104 189 D HA -0.162 4.478 4.640 0.001 0.000 0.194 189 D C 1.921 178.213 176.300 -0.013 0.000 0.994 189 D CA 1.361 55.345 54.000 -0.026 0.000 0.830 189 D CB -0.271 40.470 40.800 -0.099 0.000 0.959 189 D HN 0.373 nan 8.370 nan 0.000 0.452 190 I N -0.878 119.622 120.570 -0.117 0.000 2.226 190 I HA -0.212 3.959 4.170 0.001 0.000 0.245 190 I C 1.304 177.111 176.117 -0.517 0.000 1.100 190 I CA 1.069 62.115 61.300 -0.424 0.000 1.374 190 I CB -0.148 37.456 38.000 -0.661 0.000 1.057 190 I HN 0.092 nan 8.210 nan 0.000 0.413 191 W N -0.604 120.760 121.300 0.107 0.000 3.239 191 W HA 0.099 4.759 4.660 0.001 0.000 0.368 191 W C 1.931 178.552 176.519 0.169 0.000 1.154 191 W CA -0.727 56.678 57.345 0.101 0.000 1.860 191 W CB -0.367 29.131 29.460 0.063 0.000 1.094 191 W HN 0.189 nan 8.180 nan 0.000 0.643 192 W N 1.816 123.188 121.300 0.120 0.000 2.321 192 W HA -0.246 4.415 4.660 0.001 0.000 0.306 192 W C 0.816 177.406 176.519 0.118 0.000 1.217 192 W CA 1.519 58.930 57.345 0.110 0.000 1.257 192 W CB -0.117 29.375 29.460 0.054 0.000 1.145 192 W HN -0.122 nan 8.180 nan 0.000 0.509 193 N N 0.468 119.281 118.700 0.189 0.000 2.270 193 N HA -0.030 4.710 4.740 0.001 0.000 0.198 193 N C -0.873 174.677 175.510 0.066 0.000 1.117 193 N CA 0.631 53.717 53.050 0.061 0.000 0.845 193 N CB -0.026 38.523 38.487 0.104 0.000 0.980 193 N HN 0.020 nan 8.380 nan 0.000 0.486 194 D N 0.983 121.459 120.400 0.127 0.000 2.440 194 D HA 0.195 4.835 4.640 0.001 0.000 0.239 194 D C -1.835 174.494 176.300 0.049 0.000 1.084 194 D CA -1.899 52.186 54.000 0.142 0.000 0.843 194 D CB 2.369 43.377 40.800 0.346 0.000 1.097 194 D HN -0.016 nan 8.370 nan 0.000 0.531 195 P HA -0.024 nan 4.420 nan 0.000 0.245 195 P C 0.848 177.995 177.300 -0.256 0.000 1.206 195 P CA 0.267 63.110 63.100 -0.427 0.000 0.781 195 P CB 0.254 31.537 31.700 -0.695 0.000 0.994 196 S N -1.330 114.313 115.700 -0.094 0.000 2.603 196 S HA 0.111 4.581 4.470 0.001 0.000 0.220 196 S C 0.647 175.197 174.600 -0.083 0.000 0.967 196 S CA -0.103 58.067 58.200 -0.050 0.000 0.920 196 S CB -0.562 62.611 63.200 -0.045 0.000 0.773 196 S HN -0.077 nan 8.310 nan 0.000 0.529 197 V N 2.614 122.415 119.914 -0.188 0.000 2.419 197 V HA 0.446 4.567 4.120 0.001 0.000 0.287 197 V C -0.706 175.192 176.094 -0.326 0.000 1.017 197 V CA -0.856 61.189 62.300 -0.424 0.000 0.844 197 V CB 1.382 32.482 31.823 -1.206 0.000 1.011 197 V HN 0.458 nan 8.190 nan 0.000 0.429 198 L N 6.081 127.023 121.223 -0.470 0.000 2.360 198 L HA 0.637 4.978 4.340 0.001 0.000 0.276 198 L C 0.602 177.303 176.870 -0.283 0.000 1.121 198 L CA 0.797 55.327 54.840 -0.517 0.000 0.845 198 L CB 1.245 42.643 42.059 -1.102 0.000 1.143 198 L HN 0.834 nan 8.230 nan 0.000 0.452 199 T N 4.107 118.588 114.554 -0.122 0.000 2.770 199 T HA 0.707 5.057 4.350 0.001 0.000 0.283 199 T C -0.181 174.532 174.700 0.021 0.000 0.988 199 T CA -0.507 61.582 62.100 -0.019 0.000 0.957 199 T CB 0.669 69.603 68.868 0.111 0.000 0.930 199 T HN 0.471 nan 8.240 nan 0.000 0.443 200 I N 2.309 122.897 120.570 0.031 0.000 2.498 200 I HA 0.552 4.723 4.170 0.001 0.000 0.290 200 I C -0.134 176.073 176.117 0.150 0.000 1.032 200 I CA -0.865 60.480 61.300 0.074 0.000 1.073 200 I CB 2.285 40.306 38.000 0.035 0.000 1.251 200 I HN 0.682 nan 8.210 nan 0.000 0.426 201 S N 7.062 122.906 115.700 0.241 0.000 2.605 201 S HA 0.660 5.131 4.470 0.001 0.000 0.308 201 S C -0.892 173.915 174.600 0.346 0.000 1.113 201 S CA -0.614 57.809 58.200 0.372 0.000 1.049 201 S CB 0.788 64.314 63.200 0.543 0.000 1.001 201 S HN 0.453 nan 8.310 nan 0.000 0.480 202 L N 7.093 128.499 121.223 0.305 0.000 2.307 202 L HA 0.677 5.018 4.340 0.001 0.000 0.282 202 L C 0.106 177.130 176.870 0.257 0.000 1.051 202 L CA -0.731 54.185 54.840 0.126 0.000 0.804 202 L CB 0.893 43.059 42.059 0.177 0.000 1.197 202 L HN 0.764 nan 8.230 nan 0.000 0.431 203 H N 1.237 120.421 119.070 0.190 0.000 3.042 203 H HA 0.195 4.751 4.556 0.001 0.000 0.346 203 H C -1.515 173.915 175.328 0.171 0.000 1.294 203 H CA -0.998 55.190 56.048 0.234 0.000 1.141 203 H CB 1.704 31.636 29.762 0.283 0.000 1.872 203 H HN 0.570 nan 8.280 nan 0.000 0.541 204 Q N 1.479 121.466 119.800 0.311 0.000 2.289 204 Q HA -0.007 4.334 4.340 0.001 0.000 0.273 204 Q C -0.524 175.654 176.000 0.297 0.000 1.029 204 Q CA -0.288 55.658 55.803 0.238 0.000 0.896 204 Q CB 0.352 29.213 28.738 0.206 0.000 1.182 204 Q HN 0.570 nan 8.270 nan 0.000 0.385 205 H N 5.627 124.762 119.070 0.109 0.000 3.145 205 H HA -0.062 4.494 4.556 0.001 0.000 0.288 205 H C 0.300 175.651 175.328 0.038 0.000 0.969 205 H CA 1.096 57.184 56.048 0.066 0.000 1.444 205 H CB -0.269 29.496 29.762 0.005 0.000 1.500 205 H HN 0.798 nan 8.280 nan 0.000 0.552 206 L N 3.346 124.388 121.223 -0.302 0.000 3.843 206 L HA -0.401 3.939 4.340 0.001 0.000 0.411 206 L C 1.852 178.666 176.870 -0.093 0.000 1.205 206 L CA 0.653 55.284 54.840 -0.348 0.000 0.945 206 L CB -2.159 39.559 42.059 -0.568 0.000 1.929 206 L HN 0.647 nan 8.230 nan 0.000 0.934 207 C N -0.193 119.153 119.300 0.076 0.000 2.543 207 C HA 0.129 4.589 4.460 0.001 0.000 0.281 207 C C 0.910 176.070 174.990 0.284 0.000 1.276 207 C CA 1.189 60.334 59.018 0.213 0.000 1.700 207 C CB 0.048 27.987 27.740 0.332 0.000 2.093 207 C HN 0.512 nan 8.230 nan 0.000 0.488 208 F N 0.499 120.534 119.950 0.141 0.000 2.639 208 F HA 0.521 5.048 4.527 0.001 0.000 0.320 208 F C -2.785 172.994 175.800 -0.036 0.000 1.128 208 F CA -1.713 56.255 58.000 -0.053 0.000 1.037 208 F CB 0.953 39.798 39.000 -0.259 0.000 1.288 208 F HN -0.016 nan 8.300 nan 0.000 0.463 209 P HA 0.226 nan 4.420 nan 0.000 0.273 209 P C -2.262 174.716 177.300 -0.536 0.000 1.250 209 P CA -0.952 61.449 63.100 -1.165 0.000 0.793 209 P CB 0.403 31.628 31.700 -0.791 0.000 1.011 210 P HA -0.061 nan 4.420 nan 0.000 0.241 210 P C 0.037 177.211 177.300 -0.209 0.000 1.191 210 P CA 1.277 64.227 63.100 -0.249 0.000 0.771 210 P CB 0.017 31.612 31.700 -0.176 0.000 0.929 211 D N -1.444 118.832 120.400 -0.206 0.000 2.563 211 D HA 0.090 4.730 4.640 0.001 0.000 0.237 211 D C 0.105 176.384 176.300 -0.034 0.000 1.282 211 D CA -0.425 53.529 54.000 -0.076 0.000 0.816 211 D CB -0.111 40.653 40.800 -0.061 0.000 1.066 211 D HN 0.083 nan 8.370 nan 0.000 0.501 212 S N -2.434 113.149 115.700 -0.196 0.000 2.671 212 S HA 0.653 5.124 4.470 0.001 0.000 0.277 212 S C 0.788 175.054 174.600 -0.557 0.000 1.165 212 S CA -0.292 57.791 58.200 -0.194 0.000 0.822 212 S CB 1.701 64.887 63.200 -0.023 0.000 1.150 212 S HN 0.684 nan 8.310 nan 0.000 0.479 213 G N -0.587 107.743 108.800 -0.783 0.000 2.159 213 G HA2 -0.172 3.789 3.960 0.001 0.000 0.227 213 G HA3 -0.172 3.789 3.960 0.001 0.000 0.227 213 G C -0.271 174.534 174.900 -0.158 0.000 0.986 213 G CA -0.126 44.358 45.100 -1.027 0.000 0.651 213 G HN 0.789 nan 8.290 nan 0.000 0.523 214 Y N 1.496 121.800 120.300 0.006 0.000 2.550 214 Y HA 0.296 4.846 4.550 0.001 0.000 0.343 214 Y C 2.138 178.079 175.900 0.068 0.000 1.245 214 Y CA 0.700 58.852 58.100 0.088 0.000 1.462 214 Y CB 0.801 39.311 38.460 0.083 0.000 1.340 214 Y HN 0.281 nan 8.280 nan 0.000 0.604 215 S N -1.421 114.402 115.700 0.207 0.000 2.474 215 S HA -0.155 4.316 4.470 0.001 0.000 0.235 215 S C 1.508 176.178 174.600 0.117 0.000 0.997 215 S CA 1.047 59.316 58.200 0.115 0.000 0.949 215 S CB -0.940 62.288 63.200 0.046 0.000 0.766 215 S HN 0.860 nan 8.310 nan 0.000 0.517 216 T N -0.688 113.957 114.554 0.152 0.000 3.118 216 T HA 0.153 4.503 4.350 0.001 0.000 0.260 216 T C 0.265 175.074 174.700 0.183 0.000 1.139 216 T CA -0.029 62.145 62.100 0.123 0.000 1.085 216 T CB -0.526 68.390 68.868 0.080 0.000 0.934 216 T HN 0.518 nan 8.240 nan 0.000 0.518 217 E N 1.424 121.777 120.200 0.254 0.000 1.996 217 E HA 0.304 4.655 4.350 0.001 0.000 0.280 217 E C 0.515 177.292 176.600 0.295 0.000 1.092 217 E CA -0.247 56.409 56.400 0.427 0.000 0.862 217 E CB 0.572 30.544 29.700 0.453 0.000 1.066 217 E HN 0.390 nan 8.360 nan 0.000 0.396 218 R N 2.230 122.765 120.500 0.058 0.000 2.535 218 R HA 0.226 4.567 4.340 0.001 0.000 0.323 218 R C 0.427 176.377 176.300 -0.583 0.000 0.979 218 R CA 0.003 55.949 56.100 -0.257 0.000 1.120 218 R CB 1.181 31.276 30.300 -0.342 0.000 1.306 218 R HN 0.671 nan 8.270 nan 0.000 0.540 219 G N 0.814 108.901 108.800 -1.188 0.000 2.710 219 G HA2 0.074 4.034 3.960 0.001 0.000 0.668 219 G HA3 0.074 4.034 3.960 0.001 0.000 0.668 219 G C -1.145 173.068 174.900 -1.146 0.000 1.320 219 G CA -0.552 43.613 45.100 -1.558 0.000 0.860 219 G HN 0.350 nan 8.290 nan 0.000 0.538 220 A N -0.887 121.417 122.820 -0.861 0.000 2.539 220 A HA 1.189 5.509 4.320 0.001 0.000 0.296 220 A C 1.345 178.872 177.584 -0.095 0.000 1.073 220 A CA 1.345 53.209 52.037 -0.288 0.000 0.700 220 A CB 1.087 20.020 19.000 -0.112 0.000 1.296 220 A HN 3.054 nan 8.150 nan 0.000 0.405 221 G N 1.436 110.231 108.800 -0.009 0.000 2.611 221 G HA2 -0.338 3.622 3.960 0.001 0.000 0.301 221 G HA3 -0.338 3.622 3.960 0.001 0.000 0.301 221 G C 0.733 175.657 174.900 0.041 0.000 1.233 221 G CA 0.687 45.795 45.100 0.014 0.000 0.993 221 G HN 0.979 nan 8.290 nan 0.000 0.553 222 N N 1.902 120.622 118.700 0.034 0.000 2.443 222 N HA -0.047 4.694 4.740 0.001 0.000 0.184 222 N C 2.136 177.687 175.510 0.069 0.000 1.037 222 N CA 1.647 54.723 53.050 0.044 0.000 0.896 222 N CB -0.518 37.974 38.487 0.008 0.000 0.959 222 N HN 0.840 nan 8.380 nan 0.000 0.442 223 G N -0.855 107.974 108.800 0.048 0.000 2.920 223 G HA2 -0.128 3.833 3.960 0.001 0.000 0.208 223 G HA3 -0.128 3.833 3.960 0.001 0.000 0.208 223 G C 0.288 175.257 174.900 0.115 0.000 1.159 223 G CA -0.161 44.983 45.100 0.074 0.000 0.784 223 G HN 0.378 nan 8.290 nan 0.000 0.535 224 H N -0.106 118.962 119.070 -0.004 0.000 3.046 224 H HA 0.382 4.939 4.556 0.001 0.000 0.303 224 H C 1.460 176.749 175.328 -0.065 0.000 1.002 224 H CA 1.155 57.149 56.048 -0.091 0.000 1.460 224 H CB 0.386 30.095 29.762 -0.089 0.000 1.493 224 H HN 0.182 nan 8.280 nan 0.000 0.559 225 G N 3.652 112.019 108.800 -0.722 0.000 2.176 225 G HA2 -0.288 3.672 3.960 0.001 0.000 0.232 225 G HA3 -0.288 3.672 3.960 0.001 0.000 0.232 225 G C 0.176 174.608 174.900 -0.779 0.000 0.986 225 G CA 0.333 45.015 45.100 -0.696 0.000 0.643 225 G HN 0.634 nan 8.290 nan 0.000 0.522 226 Y N 1.129 121.295 120.300 -0.223 0.000 2.681 226 Y HA 0.423 4.974 4.550 0.001 0.000 0.267 226 Y C 0.860 176.658 175.900 -0.170 0.000 1.166 226 Y CA -0.335 57.653 58.100 -0.186 0.000 1.209 226 Y CB 0.550 38.932 38.460 -0.129 0.000 1.161 226 Y HN 0.290 nan 8.280 nan 0.000 0.534 227 N N 1.093 119.733 118.700 -0.099 0.000 2.352 227 N HA 0.468 5.208 4.740 0.001 0.000 0.291 227 N C -1.721 173.777 175.510 -0.020 0.000 1.040 227 N CA -0.281 52.769 53.050 -0.001 0.000 0.864 227 N CB 1.373 39.915 38.487 0.091 0.000 1.440 227 N HN 0.101 nan 8.380 nan 0.000 0.483 228 I N 2.357 122.943 120.570 0.027 0.000 2.468 228 I HA 0.283 4.454 4.170 0.001 0.000 0.285 228 I C -0.617 175.568 176.117 0.112 0.000 1.039 228 I CA -0.642 60.673 61.300 0.026 0.000 1.074 228 I CB 1.730 39.714 38.000 -0.026 0.000 1.228 228 I HN 0.387 nan 8.210 nan 0.000 0.436 229 N N 4.884 123.668 118.700 0.139 0.000 2.430 229 N HA 0.514 5.255 4.740 0.001 0.000 0.292 229 N C -0.970 174.561 175.510 0.034 0.000 1.051 229 N CA -0.598 52.577 53.050 0.207 0.000 0.917 229 N CB 2.396 41.045 38.487 0.269 0.000 1.164 229 N HN 0.204 nan 8.380 nan 0.000 0.484 230 V N 3.629 123.482 119.914 -0.101 0.000 2.266 230 V HA 0.292 4.412 4.120 0.001 0.000 0.266 230 V C -2.208 173.614 176.094 -0.454 0.000 1.036 230 V CA -1.534 60.643 62.300 -0.204 0.000 0.828 230 V CB 0.429 32.164 31.823 -0.147 0.000 1.081 230 V HN 0.605 nan 8.190 nan 0.000 0.449 231 P HA 0.312 nan 4.420 nan 0.000 0.276 231 P C -0.702 176.459 177.300 -0.232 0.000 1.243 231 P CA 0.116 62.996 63.100 -0.367 0.000 0.768 231 P CB 1.362 32.986 31.700 -0.125 0.000 0.856 232 L N 5.681 126.809 121.223 -0.158 0.000 2.342 232 L HA 0.536 4.877 4.340 0.001 0.000 0.271 232 L C -2.149 174.722 176.870 0.000 0.000 1.008 232 L CA -2.845 51.926 54.840 -0.115 0.000 0.818 232 L CB 2.268 44.207 42.059 -0.200 0.000 1.296 232 L HN 0.168 nan 8.230 nan 0.000 0.427 233 P HA 0.207 nan 4.420 nan 0.000 0.275 233 P C -2.618 174.725 177.300 0.072 0.000 1.228 233 P CA -1.629 61.502 63.100 0.051 0.000 0.786 233 P CB -0.149 31.566 31.700 0.025 0.000 0.927 234 P HA -0.008 nan 4.420 nan 0.000 0.264 234 P C 1.100 178.443 177.300 0.073 0.000 1.179 234 P CA 1.554 64.709 63.100 0.092 0.000 0.763 234 P CB -0.148 31.603 31.700 0.085 0.000 0.806 235 G N 1.105 109.953 108.800 0.080 0.000 2.176 235 G HA2 -0.240 3.720 3.960 0.001 0.000 0.253 235 G HA3 -0.240 3.720 3.960 0.001 0.000 0.253 235 G C 0.339 175.277 174.900 0.064 0.000 0.979 235 G CA -0.012 45.124 45.100 0.060 0.000 0.641 235 G HN 0.587 nan 8.290 nan 0.000 0.530 236 S N 0.670 116.425 115.700 0.091 0.000 2.549 236 S HA 0.563 5.033 4.470 0.001 0.000 0.283 236 S C 0.983 175.683 174.600 0.168 0.000 1.320 236 S CA 0.480 58.744 58.200 0.107 0.000 1.058 236 S CB 1.435 64.688 63.200 0.089 0.000 0.882 236 S HN 1.254 nan 8.310 nan 0.000 0.498 237 G N 1.841 110.718 108.800 0.128 0.000 3.257 237 G HA2 0.265 4.226 3.960 0.001 0.000 0.205 237 G HA3 0.265 4.226 3.960 0.001 0.000 0.205 237 G C 0.522 175.484 174.900 0.103 0.000 1.234 237 G CA -0.577 44.574 45.100 0.086 0.000 0.918 237 G HN 0.534 nan 8.290 nan 0.000 0.602 238 N N 0.332 119.023 118.700 -0.015 0.000 2.091 238 N HA -0.183 4.557 4.740 0.001 0.000 0.193 238 N C 2.308 177.837 175.510 0.032 0.000 1.021 238 N CA 1.681 54.710 53.050 -0.035 0.000 0.862 238 N CB -0.501 37.948 38.487 -0.064 0.000 1.018 238 N HN 0.480 nan 8.380 nan 0.000 0.429 239 A N 0.727 123.563 122.820 0.026 0.000 1.898 239 A HA 0.110 4.431 4.320 0.001 0.000 0.216 239 A C 2.383 179.995 177.584 0.047 0.000 1.181 239 A CA 1.845 53.896 52.037 0.023 0.000 0.620 239 A CB -0.845 18.148 19.000 -0.012 0.000 0.819 239 A HN 0.323 nan 8.150 nan 0.000 0.442 240 A N -1.415 121.431 122.820 0.045 0.000 1.877 240 A HA -0.087 4.233 4.320 0.001 0.000 0.216 240 A C 2.108 179.689 177.584 -0.005 0.000 1.186 240 A CA 1.589 53.633 52.037 0.011 0.000 0.620 240 A CB -0.835 18.146 19.000 -0.033 0.000 0.822 240 A HN 0.567 nan 8.150 nan 0.000 0.443 241 Y N 0.025 120.307 120.300 -0.029 0.000 2.181 241 Y HA -0.112 4.438 4.550 0.001 0.000 0.288 241 Y C 2.226 178.108 175.900 -0.030 0.000 1.146 241 Y CA 1.658 59.727 58.100 -0.052 0.000 1.164 241 Y CB -0.265 38.108 38.460 -0.144 0.000 0.982 241 Y HN 0.183 nan 8.280 nan 0.000 0.515 242 L N -1.487 119.809 121.223 0.121 0.000 2.141 242 L HA -0.218 4.122 4.340 0.001 0.000 0.209 242 L C 2.268 179.191 176.870 0.089 0.000 1.094 242 L CA 1.401 56.289 54.840 0.080 0.000 0.763 242 L CB -0.580 41.512 42.059 0.056 0.000 0.908 242 L HN 0.260 nan 8.230 nan 0.000 0.437 243 H N 0.299 119.366 119.070 -0.005 0.000 2.353 243 H HA -0.127 4.429 4.556 0.001 0.000 0.300 243 H C 2.175 177.488 175.328 -0.026 0.000 1.090 243 H CA 1.516 57.554 56.048 -0.017 0.000 1.327 243 H CB 0.091 29.836 29.762 -0.029 0.000 1.383 243 H HN 0.270 nan 8.280 nan 0.000 0.508 244 A N 0.627 123.438 122.820 -0.015 0.000 1.908 244 A HA -0.201 4.119 4.320 0.001 0.000 0.218 244 A C 2.350 179.905 177.584 -0.048 0.000 1.181 244 A CA 1.917 53.906 52.037 -0.079 0.000 0.627 244 A CB -0.525 18.402 19.000 -0.122 0.000 0.818 244 A HN 0.401 nan 8.150 nan 0.000 0.445 245 M N -0.114 119.491 119.600 0.008 0.000 2.080 245 M HA -0.148 4.333 4.480 0.001 0.000 0.260 245 M C 1.466 177.769 176.300 0.005 0.000 1.068 245 M CA 1.657 56.984 55.300 0.046 0.000 1.109 245 M CB -1.509 31.141 32.600 0.083 0.000 1.342 245 M HN 0.349 nan 8.290 nan 0.000 0.405 246 D N -0.397 119.983 120.400 -0.034 0.000 2.149 246 D HA -0.098 4.543 4.640 0.001 0.000 0.201 246 D C 2.257 178.495 176.300 -0.103 0.000 0.972 246 D CA 0.909 54.877 54.000 -0.053 0.000 0.835 246 D CB -0.059 40.710 40.800 -0.051 0.000 0.966 246 D HN 0.337 nan 8.370 nan 0.000 0.476 247 Q N -0.265 119.419 119.800 -0.193 0.000 2.250 247 Q HA 0.075 4.416 4.340 0.001 0.000 0.200 247 Q C 1.976 177.905 176.000 -0.118 0.000 0.941 247 Q CA 0.469 56.147 55.803 -0.210 0.000 0.872 247 Q CB 0.819 29.328 28.738 -0.382 0.000 0.965 247 Q HN 0.210 nan 8.270 nan 0.000 0.480 248 V N -1.104 118.755 119.914 -0.092 0.000 3.054 248 V HA -0.004 4.116 4.120 0.001 0.000 0.227 248 V C 2.111 178.192 176.094 -0.022 0.000 1.252 248 V CA 0.434 62.701 62.300 -0.055 0.000 1.279 248 V CB -0.072 31.717 31.823 -0.056 0.000 1.118 248 V HN -0.082 nan 8.190 nan 0.000 0.504 249 V N 0.824 120.739 119.914 0.001 0.000 2.270 249 V HA -0.216 3.905 4.120 0.001 0.000 0.245 249 V C 2.358 178.475 176.094 0.039 0.000 1.043 249 V CA 2.217 64.538 62.300 0.036 0.000 1.014 249 V CB -0.593 31.282 31.823 0.086 0.000 0.645 249 V HN 0.404 nan 8.190 nan 0.000 0.447 250 L N -0.250 120.998 121.223 0.042 0.000 2.017 250 L HA -0.110 4.230 4.340 0.001 0.000 0.208 250 L C 0.088 176.978 176.870 0.032 0.000 1.073 250 L CA 1.664 56.531 54.840 0.046 0.000 0.745 250 L CB -2.062 40.026 42.059 0.048 0.000 0.894 250 L HN 0.345 nan 8.230 nan 0.000 0.432 251 P HA -0.199 nan 4.420 nan 0.000 0.216 251 P C 1.510 178.822 177.300 0.019 0.000 1.153 251 P CA 1.907 65.012 63.100 0.009 0.000 0.858 251 P CB 0.001 31.694 31.700 -0.011 0.000 0.789 252 A N -0.783 122.046 122.820 0.013 0.000 1.873 252 A HA -0.156 4.165 4.320 0.001 0.000 0.215 252 A C 2.226 179.850 177.584 0.067 0.000 1.186 252 A CA 1.393 53.439 52.037 0.016 0.000 0.616 252 A CB -1.631 17.358 19.000 -0.018 0.000 0.823 252 A HN 0.095 nan 8.150 nan 0.000 0.442 253 L N -0.989 120.273 121.223 0.065 0.000 2.012 253 L HA -0.219 4.121 4.340 0.001 0.000 0.210 253 L C 2.899 179.837 176.870 0.114 0.000 1.073 253 L CA 1.631 56.532 54.840 0.102 0.000 0.748 253 L CB -0.499 41.604 42.059 0.073 0.000 0.891 253 L HN 0.356 nan 8.230 nan 0.000 0.431 254 R N -0.263 120.281 120.500 0.074 0.000 2.096 254 R HA -0.146 4.195 4.340 0.001 0.000 0.235 254 R C 2.394 178.730 176.300 0.060 0.000 1.127 254 R CA 1.341 57.475 56.100 0.057 0.000 0.968 254 R CB -0.464 29.859 30.300 0.039 0.000 0.861 254 R HN 0.380 nan 8.270 nan 0.000 0.440 255 A N 0.130 122.994 122.820 0.074 0.000 1.898 255 A HA -0.194 4.126 4.320 0.001 0.000 0.216 255 A C 1.931 179.590 177.584 0.125 0.000 1.181 255 A CA 1.029 53.113 52.037 0.078 0.000 0.620 255 A CB -0.567 18.471 19.000 0.063 0.000 0.819 255 A HN 0.423 nan 8.150 nan 0.000 0.442 256 Y N -0.402 119.916 120.300 0.030 0.000 2.337 256 Y HA 0.016 4.566 4.550 0.001 0.000 0.293 256 Y C 0.439 176.358 175.900 0.031 0.000 1.123 256 Y CA 1.128 59.262 58.100 0.057 0.000 1.201 256 Y CB 0.278 38.778 38.460 0.066 0.000 1.011 256 Y HN 0.342 nan 8.280 nan 0.000 0.545 257 R N -0.093 120.399 120.500 -0.014 0.000 3.209 257 R HA -0.145 4.196 4.340 0.001 0.000 0.252 257 R C -2.824 173.374 176.300 -0.170 0.000 0.958 257 R CA 0.615 56.661 56.100 -0.091 0.000 0.651 257 R CB -2.611 27.619 30.300 -0.118 0.000 1.142 257 R HN 0.346 nan 8.270 nan 0.000 0.441 258 P HA 0.056 nan 4.420 nan 0.000 0.274 258 P C 0.238 177.521 177.300 -0.028 0.000 1.237 258 P CA -0.107 62.998 63.100 0.008 0.000 0.793 258 P CB 0.573 32.384 31.700 0.184 0.000 0.977 259 Q N -0.254 119.523 119.800 -0.039 0.000 2.392 259 Q HA 0.232 4.573 4.340 0.001 0.000 0.203 259 Q C 0.049 176.040 176.000 -0.016 0.000 0.917 259 Q CA 0.301 56.084 55.803 -0.033 0.000 0.939 259 Q CB 0.146 28.858 28.738 -0.044 0.000 1.063 259 Q HN 0.260 nan 8.270 nan 0.000 0.516 260 L N -0.307 120.909 121.223 -0.013 0.000 2.549 260 L HA 0.443 4.784 4.340 0.001 0.000 0.259 260 L C -1.955 174.894 176.870 -0.034 0.000 0.934 260 L CA -0.522 54.306 54.840 -0.021 0.000 0.865 260 L CB 1.765 43.809 42.059 -0.025 0.000 1.352 260 L HN -0.101 nan 8.230 nan 0.000 0.410 261 I N 5.484 126.020 120.570 -0.057 0.000 2.354 261 I HA 0.476 4.647 4.170 0.001 0.000 0.292 261 I C -0.554 175.456 176.117 -0.179 0.000 0.989 261 I CA -0.393 60.844 61.300 -0.105 0.000 1.188 261 I CB 1.576 39.517 38.000 -0.099 0.000 1.342 261 I HN 0.471 nan 8.210 nan 0.000 0.457 262 I N 6.744 127.190 120.570 -0.206 0.000 2.378 262 I HA 0.348 4.519 4.170 0.001 0.000 0.291 262 I C -0.551 175.349 176.117 -0.361 0.000 0.992 262 I CA -0.830 60.314 61.300 -0.260 0.000 1.154 262 I CB 1.834 39.725 38.000 -0.182 0.000 1.315 262 I HN 0.174 nan 8.210 nan 0.000 0.448 263 V N 5.113 124.693 119.914 -0.557 0.000 2.370 263 V HA 0.386 4.507 4.120 0.001 0.000 0.283 263 V C 0.751 176.491 176.094 -0.591 0.000 1.023 263 V CA -0.629 61.245 62.300 -0.711 0.000 0.857 263 V CB 1.442 32.530 31.823 -1.224 0.000 0.985 263 V HN 0.913 nan 8.190 nan 0.000 0.443 264 G N 2.566 111.069 108.800 -0.496 0.000 2.519 264 G HA2 0.263 4.223 3.960 0.001 0.000 0.306 264 G HA3 0.263 4.223 3.960 0.001 0.000 0.306 264 G C 0.276 174.812 174.900 -0.608 0.000 0.965 264 G CA -0.046 44.799 45.100 -0.425 0.000 1.291 264 G HN 0.654 nan 8.290 nan 0.000 0.450 265 S N 2.399 117.756 115.700 -0.571 0.000 2.592 265 S HA 0.574 5.045 4.470 0.001 0.000 0.305 265 S C 0.868 175.133 174.600 -0.558 0.000 1.118 265 S CA -0.327 57.499 58.200 -0.623 0.000 1.075 265 S CB -0.211 62.869 63.200 -0.201 0.000 1.107 265 S HN 0.747 nan 8.310 nan 0.000 0.503 266 G N 2.214 110.745 108.800 -0.449 0.000 2.434 266 G HA2 0.608 4.569 3.960 0.001 0.000 0.330 266 G HA3 0.608 4.569 3.960 0.001 0.000 0.330 266 G C -0.358 174.166 174.900 -0.628 0.000 1.155 266 G CA -0.710 44.138 45.100 -0.419 0.000 0.917 266 G HN 0.692 nan 8.290 nan 0.000 0.493 267 F N -0.386 119.514 119.950 -0.083 0.000 2.698 267 F HA 0.161 4.689 4.527 0.001 0.000 0.304 267 F C 1.235 177.046 175.800 0.019 0.000 1.108 267 F CA -0.563 57.242 58.000 -0.325 0.000 1.263 267 F CB 1.001 39.646 39.000 -0.592 0.000 1.013 267 F HN 0.436 nan 8.300 nan 0.000 0.532 268 D N 0.258 120.790 120.400 0.221 0.000 2.363 268 D HA -0.037 4.604 4.640 0.001 0.000 0.226 268 D C 1.743 178.213 176.300 0.283 0.000 1.020 268 D CA 0.481 54.663 54.000 0.303 0.000 0.892 268 D CB -0.267 40.799 40.800 0.444 0.000 0.900 268 D HN 0.205 nan 8.370 nan 0.000 0.531 269 A N 0.446 123.455 122.820 0.315 0.000 2.238 269 A HA 0.144 4.465 4.320 0.001 0.000 0.208 269 A C 1.285 178.995 177.584 0.211 0.000 1.177 269 A CA 0.103 52.260 52.037 0.200 0.000 0.804 269 A CB -0.570 18.400 19.000 -0.049 0.000 0.823 269 A HN 0.288 nan 8.150 nan 0.000 0.482 270 S N -1.327 114.610 115.700 0.395 0.000 2.584 270 S HA 0.187 4.658 4.470 0.001 0.000 0.270 270 S C 1.018 175.774 174.600 0.261 0.000 1.346 270 S CA 0.302 58.747 58.200 0.409 0.000 1.018 270 S CB 0.357 63.872 63.200 0.525 0.000 0.899 270 S HN 0.347 nan 8.310 nan 0.000 0.542 271 M N 1.975 121.706 119.600 0.218 0.000 2.337 271 M HA 0.081 4.562 4.480 0.001 0.000 0.261 271 M C 0.866 177.219 176.300 0.088 0.000 1.067 271 M CA 1.707 57.065 55.300 0.097 0.000 1.074 271 M CB -0.598 32.009 32.600 0.012 0.000 1.395 271 M HN 0.768 nan 8.290 nan 0.000 0.431 272 L N -1.236 120.074 121.223 0.144 0.000 2.959 272 L HA 0.257 4.598 4.340 0.001 0.000 0.259 272 L C 0.163 177.148 176.870 0.192 0.000 1.185 272 L CA -0.422 54.492 54.840 0.122 0.000 0.998 272 L CB -0.176 41.906 42.059 0.039 0.000 1.337 272 L HN 0.058 nan 8.230 nan 0.000 0.555 273 D N 1.998 122.533 120.400 0.226 0.000 2.304 273 D HA 0.116 4.757 4.640 0.001 0.000 0.250 273 D C -1.446 174.992 176.300 0.230 0.000 1.107 273 D CA -1.316 52.843 54.000 0.266 0.000 0.885 273 D CB 2.252 43.240 40.800 0.313 0.000 1.192 273 D HN -0.027 nan 8.370 nan 0.000 0.436 274 P HA -0.004 nan 4.420 nan 0.000 0.225 274 P C 1.267 178.665 177.300 0.163 0.000 1.156 274 P CA 0.448 63.651 63.100 0.172 0.000 0.787 274 P CB 0.487 32.275 31.700 0.147 0.000 0.802 275 L N -1.479 119.876 121.223 0.220 0.000 2.653 275 L HA 0.428 4.769 4.340 0.001 0.000 0.231 275 L C 0.888 177.956 176.870 0.330 0.000 1.153 275 L CA -0.269 54.703 54.840 0.220 0.000 0.933 275 L CB -0.064 42.060 42.059 0.109 0.000 1.175 275 L HN -0.042 nan 8.230 nan 0.000 0.473 276 A N -0.624 122.346 122.820 0.250 0.000 2.564 276 A HA 0.672 4.993 4.320 0.001 0.000 0.291 276 A C -0.468 177.214 177.584 0.164 0.000 1.102 276 A CA -0.670 51.487 52.037 0.201 0.000 0.660 276 A CB 1.063 20.146 19.000 0.138 0.000 1.283 276 A HN 0.027 nan 8.150 nan 0.000 0.430 277 R N 0.022 120.608 120.500 0.144 0.000 2.652 277 R HA 0.294 4.634 4.340 0.001 0.000 0.372 277 R C -0.399 175.970 176.300 0.116 0.000 1.104 277 R CA -0.120 56.051 56.100 0.119 0.000 1.072 277 R CB 0.135 30.497 30.300 0.103 0.000 1.367 277 R HN 0.668 nan 8.270 nan 0.000 0.577 278 M N -0.131 119.549 119.600 0.134 0.000 2.513 278 M HA 0.436 4.916 4.480 0.001 0.000 0.291 278 M C 0.961 177.313 176.300 0.087 0.000 1.190 278 M CA -0.369 55.011 55.300 0.134 0.000 0.960 278 M CB 0.852 33.562 32.600 0.184 0.000 1.517 278 M HN -0.068 nan 8.290 nan 0.000 0.499 279 M N 0.374 120.004 119.600 0.050 0.000 2.705 279 M HA 0.228 4.708 4.480 0.001 0.000 0.387 279 M C -0.618 175.654 176.300 -0.047 0.000 1.204 279 M CA -0.178 55.130 55.300 0.013 0.000 0.905 279 M CB 0.546 33.151 32.600 0.009 0.000 1.394 279 M HN 0.214 nan 8.290 nan 0.000 0.515 280 V N 1.738 121.565 119.914 -0.144 0.000 2.637 280 V HA 0.168 4.289 4.120 0.001 0.000 0.296 280 V C 0.909 176.920 176.094 -0.137 0.000 1.046 280 V CA 0.042 62.129 62.300 -0.355 0.000 1.066 280 V CB 0.800 32.057 31.823 -0.943 0.000 0.968 280 V HN 0.540 nan 8.190 nan 0.000 0.483 281 T N 1.721 116.209 114.554 -0.110 0.000 2.937 281 T HA 0.642 4.992 4.350 0.001 0.000 0.283 281 T C 1.235 176.021 174.700 0.143 0.000 1.012 281 T CA -0.107 62.088 62.100 0.159 0.000 0.997 281 T CB 1.756 70.708 68.868 0.140 0.000 1.136 281 T HN 0.708 nan 8.240 nan 0.000 0.551 282 A N 0.253 123.225 122.820 0.253 0.000 1.940 282 A HA -0.107 4.213 4.320 0.001 0.000 0.219 282 A C 1.951 179.600 177.584 0.109 0.000 1.176 282 A CA 2.311 54.424 52.037 0.127 0.000 0.631 282 A CB -1.420 17.590 19.000 0.016 0.000 0.814 282 A HN 1.013 nan 8.150 nan 0.000 0.446 283 D N -0.948 119.512 120.400 0.100 0.000 2.178 283 D HA -0.011 4.630 4.640 0.001 0.000 0.202 283 D C 1.953 178.248 176.300 -0.007 0.000 0.974 283 D CA 1.482 55.518 54.000 0.060 0.000 0.841 283 D CB -0.367 40.484 40.800 0.086 0.000 0.953 283 D HN 0.311 nan 8.370 nan 0.000 0.478 284 G N -0.544 108.199 108.800 -0.094 0.000 2.459 284 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 284 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 284 G C 1.338 176.063 174.900 -0.292 0.000 1.183 284 G CA 0.648 45.603 45.100 -0.241 0.000 0.776 284 G HN 0.267 nan 8.290 nan 0.000 0.552 285 F N 0.793 120.659 119.950 -0.141 0.000 2.171 285 F HA 0.027 4.555 4.527 0.001 0.000 0.300 285 F C 2.688 178.437 175.800 -0.084 0.000 1.090 285 F CA 1.339 59.236 58.000 -0.172 0.000 1.293 285 F CB -0.442 38.541 39.000 -0.029 0.000 1.013 285 F HN 0.035 nan 8.300 nan 0.000 0.486 286 R N 0.512 121.088 120.500 0.127 0.000 2.094 286 R HA -0.236 4.105 4.340 0.001 0.000 0.239 286 R C 2.155 178.499 176.300 0.075 0.000 1.137 286 R CA 2.146 58.300 56.100 0.090 0.000 0.943 286 R CB -0.363 29.971 30.300 0.057 0.000 0.850 286 R HN 0.356 nan 8.270 nan 0.000 0.433 287 Q N -0.326 119.491 119.800 0.029 0.000 2.079 287 Q HA -0.156 4.185 4.340 0.001 0.000 0.200 287 Q C 2.255 178.278 176.000 0.038 0.000 0.974 287 Q CA 1.912 57.732 55.803 0.029 0.000 0.840 287 Q CB -0.083 28.659 28.738 0.006 0.000 0.898 287 Q HN 0.405 nan 8.270 nan 0.000 0.430 288 M N 0.217 119.793 119.600 -0.040 0.000 2.080 288 M HA -0.218 4.262 4.480 0.001 0.000 0.260 288 M C 2.358 178.769 176.300 0.185 0.000 1.068 288 M CA 1.736 56.994 55.300 -0.071 0.000 1.109 288 M CB -0.358 31.922 32.600 -0.532 0.000 1.342 288 M HN 0.261 nan 8.290 nan 0.000 0.405 289 A N 0.065 123.055 122.820 0.285 0.000 1.873 289 A HA -0.183 4.138 4.320 0.001 0.000 0.215 289 A C 2.090 179.910 177.584 0.393 0.000 1.186 289 A CA 1.945 54.323 52.037 0.568 0.000 0.616 289 A CB -0.605 18.641 19.000 0.410 0.000 0.823 289 A HN 0.394 nan 8.150 nan 0.000 0.442 290 R N 0.012 120.651 120.500 0.233 0.000 2.083 290 R HA -0.099 4.241 4.340 0.001 0.000 0.237 290 R C 2.225 178.633 176.300 0.179 0.000 1.137 290 R CA 2.018 58.223 56.100 0.175 0.000 0.951 290 R CB -0.494 29.874 30.300 0.114 0.000 0.851 290 R HN 0.526 nan 8.270 nan 0.000 0.434 291 R N -0.950 119.652 120.500 0.170 0.000 2.091 291 R HA -0.075 4.266 4.340 0.001 0.000 0.238 291 R C 2.193 178.603 176.300 0.184 0.000 1.136 291 R CA 2.158 58.349 56.100 0.152 0.000 0.959 291 R CB -0.437 29.941 30.300 0.130 0.000 0.856 291 R HN 0.311 nan 8.270 nan 0.000 0.437 292 T N 0.793 115.507 114.554 0.267 0.000 2.812 292 T HA -0.014 4.336 4.350 0.001 0.000 0.264 292 T C 1.878 176.713 174.700 0.225 0.000 1.042 292 T CA 0.984 63.241 62.100 0.262 0.000 1.140 292 T CB -0.085 69.006 68.868 0.371 0.000 0.870 292 T HN 0.113 nan 8.240 nan 0.000 0.445 293 I N 1.477 122.222 120.570 0.292 0.000 2.252 293 I HA -0.151 4.019 4.170 0.001 0.000 0.245 293 I C 2.234 178.449 176.117 0.163 0.000 1.102 293 I CA 1.114 62.565 61.300 0.252 0.000 1.385 293 I CB -0.319 37.852 38.000 0.286 0.000 1.064 293 I HN 0.093 nan 8.210 nan 0.000 0.414 294 D N 0.039 120.527 120.400 0.147 0.000 2.144 294 D HA -0.194 4.447 4.640 0.001 0.000 0.200 294 D C 2.212 178.566 176.300 0.090 0.000 0.978 294 D CA 1.083 55.147 54.000 0.106 0.000 0.833 294 D CB -0.580 40.276 40.800 0.094 0.000 0.961 294 D HN 0.389 nan 8.370 nan 0.000 0.470 295 C N 1.118 120.477 119.300 0.098 0.000 2.413 295 C HA -0.075 4.386 4.460 0.001 0.000 0.276 295 C C 2.898 177.930 174.990 0.069 0.000 1.236 295 C CA 1.480 60.546 59.018 0.079 0.000 1.735 295 C CB -1.057 26.734 27.740 0.085 0.000 2.031 295 C HN 0.343 nan 8.230 nan 0.000 0.474 296 A N 0.406 123.271 122.820 0.076 0.000 1.908 296 A HA 0.051 4.372 4.320 0.001 0.000 0.218 296 A C 2.501 180.120 177.584 0.058 0.000 1.181 296 A CA 2.408 54.481 52.037 0.061 0.000 0.627 296 A CB -1.230 17.809 19.000 0.065 0.000 0.818 296 A HN 0.910 nan 8.150 nan 0.000 0.445 297 A N 0.118 122.979 122.820 0.069 0.000 1.917 297 A HA -0.244 4.076 4.320 0.001 0.000 0.219 297 A C 1.777 179.389 177.584 0.046 0.000 1.182 297 A CA 2.068 54.141 52.037 0.059 0.000 0.633 297 A CB -0.638 18.401 19.000 0.065 0.000 0.819 297 A HN 0.489 nan 8.150 nan 0.000 0.448 298 D N -0.385 120.043 120.400 0.046 0.000 2.144 298 D HA -0.094 4.547 4.640 0.001 0.000 0.200 298 D C 1.855 178.173 176.300 0.030 0.000 0.978 298 D CA 1.795 55.817 54.000 0.037 0.000 0.833 298 D CB -0.198 40.626 40.800 0.039 0.000 0.961 298 D HN 0.755 nan 8.370 nan 0.000 0.470 299 I N -2.253 118.335 120.570 0.031 0.000 4.312 299 I HA 0.167 4.338 4.170 0.001 0.000 0.324 299 I C 0.638 176.764 176.117 0.014 0.000 1.298 299 I CA -0.046 61.267 61.300 0.022 0.000 1.231 299 I CB 0.600 38.616 38.000 0.026 0.000 1.152 299 I HN -0.009 nan 8.210 nan 0.000 0.421 300 C N -0.242 119.070 119.300 0.020 0.000 3.074 300 C HA 0.496 4.956 4.460 0.001 0.000 0.224 300 C C 0.526 175.527 174.990 0.019 0.000 1.988 300 C CA -0.416 58.610 59.018 0.013 0.000 1.470 300 C CB -1.166 26.579 27.740 0.008 0.000 2.762 300 C HN 0.609 nan 8.230 nan 0.000 0.502 301 D N 0.871 121.285 120.400 0.023 0.000 2.837 301 D HA -0.087 4.553 4.640 0.001 0.000 0.230 301 D C 1.452 177.776 176.300 0.039 0.000 1.152 301 D CA 2.300 56.316 54.000 0.028 0.000 0.736 301 D CB -1.249 39.565 40.800 0.022 0.000 1.084 301 D HN 1.989 nan 8.370 nan 0.000 0.429 302 G N -0.295 108.532 108.800 0.046 0.000 2.155 302 G HA2 -0.401 3.560 3.960 0.001 0.000 0.257 302 G HA3 -0.401 3.560 3.960 0.001 0.000 0.257 302 G C 0.376 175.315 174.900 0.064 0.000 0.983 302 G CA 0.374 45.512 45.100 0.064 0.000 0.676 302 G HN 0.580 nan 8.290 nan 0.000 0.528 303 R N -0.004 120.522 120.500 0.044 0.000 2.351 303 R HA 0.542 4.882 4.340 0.001 0.000 0.321 303 R C -0.008 176.304 176.300 0.020 0.000 1.182 303 R CA 0.090 56.211 56.100 0.036 0.000 1.011 303 R CB 0.318 30.632 30.300 0.022 0.000 1.048 303 R HN 0.476 nan 8.270 nan 0.000 0.490 304 I N 2.141 122.733 120.570 0.037 0.000 2.656 304 I HA 0.315 4.485 4.170 0.001 0.000 0.292 304 I C -1.346 174.777 176.117 0.010 0.000 1.144 304 I CA -0.983 60.307 61.300 -0.016 0.000 1.038 304 I CB 2.170 40.173 38.000 0.006 0.000 1.244 304 I HN 0.151 nan 8.210 nan 0.000 0.420 305 V N 7.704 127.549 119.914 -0.116 0.000 2.443 305 V HA 0.411 4.532 4.120 0.001 0.000 0.293 305 V C -0.687 175.262 176.094 -0.242 0.000 1.021 305 V CA -0.429 61.832 62.300 -0.064 0.000 0.848 305 V CB 1.433 33.216 31.823 -0.067 0.000 0.998 305 V HN 0.455 nan 8.190 nan 0.000 0.424 306 F N 3.867 123.693 119.950 -0.207 0.000 2.396 306 F HA 0.583 5.110 4.527 0.001 0.000 0.343 306 F C 0.304 175.731 175.800 -0.621 0.000 1.104 306 F CA -0.411 57.325 58.000 -0.440 0.000 1.161 306 F CB 1.523 40.243 39.000 -0.467 0.000 1.146 306 F HN 0.166 nan 8.300 nan 0.000 0.522 307 V N 3.090 122.754 119.914 -0.416 0.000 2.483 307 V HA 0.253 4.373 4.120 0.001 0.000 0.297 307 V C -0.345 175.559 176.094 -0.317 0.000 1.027 307 V CA -1.072 61.019 62.300 -0.349 0.000 0.855 307 V CB 1.492 33.175 31.823 -0.232 0.000 0.995 307 V HN 0.608 nan 8.190 nan 0.000 0.424 308 Q N 4.028 123.703 119.800 -0.207 0.000 2.286 308 Q HA 0.110 4.451 4.340 0.001 0.000 0.290 308 Q C 0.305 176.231 176.000 -0.124 0.000 1.049 308 Q CA 1.044 56.830 55.803 -0.029 0.000 0.923 308 Q CB 0.600 29.441 28.738 0.171 0.000 1.183 308 Q HN 0.744 nan 8.270 nan 0.000 0.383 309 E N 2.133 122.223 120.200 -0.183 0.000 3.834 309 E HA 0.438 4.788 4.350 0.001 0.000 0.318 309 E C 0.254 176.785 176.600 -0.115 0.000 0.680 309 E CA -0.073 56.198 56.400 -0.215 0.000 1.860 309 E CB -0.613 28.819 29.700 -0.446 0.000 2.061 309 E HN 0.710 nan 8.360 nan 0.000 0.447 310 G N -1.043 107.704 108.800 -0.089 0.000 2.508 310 G HA2 0.482 4.443 3.960 0.001 0.000 0.278 310 G HA3 0.482 4.443 3.960 0.001 0.000 0.278 310 G C -0.200 174.556 174.900 -0.240 0.000 1.389 310 G CA 0.121 45.187 45.100 -0.055 0.000 1.050 310 G HN 0.538 nan 8.290 nan 0.000 0.522 311 G N -2.954 105.449 108.800 -0.662 0.000 2.760 311 G HA2 0.221 4.181 3.960 0.001 0.000 0.540 311 G HA3 0.221 4.181 3.960 0.001 0.000 0.540 311 G C -0.894 173.556 174.900 -0.750 0.000 1.476 311 G CA -0.498 44.366 45.100 -0.393 0.000 0.949 311 G HN 0.716 nan 8.290 nan 0.000 0.633 312 Y N 0.965 121.390 120.300 0.208 0.000 2.672 312 Y HA 0.508 5.059 4.550 0.001 0.000 0.252 312 Y C 1.327 177.314 175.900 0.145 0.000 1.132 312 Y CA -0.072 58.138 58.100 0.182 0.000 1.228 312 Y CB 1.408 39.993 38.460 0.208 0.000 1.310 312 Y HN 0.653 nan 8.280 nan 0.000 0.549 313 S N 3.466 119.283 115.700 0.195 0.000 2.434 313 S HA 0.244 4.714 4.470 0.001 0.000 0.318 313 S C -1.701 172.917 174.600 0.030 0.000 1.062 313 S CA -1.673 56.620 58.200 0.154 0.000 1.116 313 S CB 0.796 64.129 63.200 0.223 0.000 0.977 313 S HN 0.012 nan 8.310 nan 0.000 0.480 314 P HA -0.105 nan 4.420 nan 0.000 0.223 314 P C 0.848 178.050 177.300 -0.164 0.000 1.151 314 P CA 1.038 64.042 63.100 -0.160 0.000 0.787 314 P CB -0.017 31.534 31.700 -0.248 0.000 0.788 315 H N -2.002 117.131 119.070 0.106 0.000 2.343 315 H HA -0.056 4.500 4.556 0.001 0.000 0.303 315 H C 1.694 177.135 175.328 0.188 0.000 1.068 315 H CA 1.246 57.377 56.048 0.139 0.000 1.359 315 H CB -0.782 29.027 29.762 0.078 0.000 1.402 315 H HN 0.158 nan 8.280 nan 0.000 0.515 316 Y N 0.749 121.066 120.300 0.029 0.000 2.522 316 Y HA 0.124 4.675 4.550 0.001 0.000 0.277 316 Y C 2.426 178.296 175.900 -0.050 0.000 1.104 316 Y CA -0.173 57.891 58.100 -0.060 0.000 1.260 316 Y CB -0.310 38.035 38.460 -0.191 0.000 1.151 316 Y HN -0.004 nan 8.280 nan 0.000 0.539 317 L N 1.088 122.238 121.223 -0.122 0.000 2.043 317 L HA -0.144 4.197 4.340 0.001 0.000 0.212 317 L C -0.880 175.610 176.870 -0.633 0.000 1.075 317 L CA 1.723 56.348 54.840 -0.359 0.000 0.752 317 L CB -1.239 40.724 42.059 -0.160 0.000 0.891 317 L HN 0.047 nan 8.230 nan 0.000 0.432 318 P HA -0.204 nan 4.420 nan 0.000 0.217 318 P C 1.198 177.999 177.300 -0.831 0.000 1.151 318 P CA 1.791 64.526 63.100 -0.608 0.000 0.849 318 P CB -0.125 31.272 31.700 -0.505 0.000 0.787 319 F N -1.644 118.040 119.950 -0.443 0.000 2.293 319 F HA -0.091 4.436 4.527 0.001 0.000 0.297 319 F C 2.437 177.867 175.800 -0.617 0.000 1.089 319 F CA 0.630 58.388 58.000 -0.403 0.000 1.377 319 F CB -1.456 37.438 39.000 -0.176 0.000 1.051 319 F HN -0.030 nan 8.300 nan 0.000 0.511 320 C N 0.099 118.916 119.300 -0.806 0.000 2.432 320 C HA -0.098 4.362 4.460 0.001 0.000 0.277 320 C C 3.169 177.319 174.990 -1.399 0.000 1.249 320 C CA 1.316 59.735 59.018 -0.998 0.000 1.725 320 C CB -1.614 25.386 27.740 -1.235 0.000 2.028 320 C HN 0.632 nan 8.230 nan 0.000 0.477 321 G N 0.223 107.846 108.800 -1.960 0.000 2.418 321 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 321 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 321 G C 1.522 175.881 174.900 -0.903 0.000 1.158 321 G CA 0.941 44.767 45.100 -2.123 0.000 0.771 321 G HN 0.442 nan 8.290 nan 0.000 0.545 322 L N 1.400 122.248 121.223 -0.626 0.000 2.046 322 L HA 0.119 4.460 4.340 0.001 0.000 0.208 322 L C 3.096 179.865 176.870 -0.168 0.000 1.077 322 L CA 2.026 56.739 54.840 -0.211 0.000 0.747 322 L CB -0.707 41.246 42.059 -0.178 0.000 0.896 322 L HN 0.249 nan 8.230 nan 0.000 0.432 323 A N -1.277 121.419 122.820 -0.206 0.000 1.908 323 A HA -0.172 4.149 4.320 0.001 0.000 0.218 323 A C 2.259 179.810 177.584 -0.056 0.000 1.181 323 A CA 2.091 54.074 52.037 -0.091 0.000 0.627 323 A CB -1.068 17.896 19.000 -0.059 0.000 0.818 323 A HN 0.306 nan 8.150 nan 0.000 0.445 324 V N 0.649 120.515 119.914 -0.080 0.000 2.307 324 V HA -0.236 3.884 4.120 0.001 0.000 0.245 324 V C 2.445 178.493 176.094 -0.076 0.000 1.045 324 V CA 1.686 63.979 62.300 -0.011 0.000 1.024 324 V CB -0.677 31.230 31.823 0.141 0.000 0.651 324 V HN 0.522 nan 8.190 nan 0.000 0.449 325 I N 0.300 120.815 120.570 -0.092 0.000 2.208 325 I HA -0.256 3.914 4.170 0.001 0.000 0.245 325 I C 2.535 178.630 176.117 -0.038 0.000 1.097 325 I CA 1.813 63.074 61.300 -0.064 0.000 1.363 325 I CB -1.212 36.744 38.000 -0.073 0.000 1.051 325 I HN 0.489 nan 8.210 nan 0.000 0.413 326 E N 0.453 120.628 120.200 -0.041 0.000 2.153 326 E HA -0.209 4.141 4.350 0.001 0.000 0.194 326 E C 1.959 178.551 176.600 -0.014 0.000 0.988 326 E CA 0.814 57.196 56.400 -0.031 0.000 0.811 326 E CB -0.012 29.672 29.700 -0.027 0.000 0.746 326 E HN 0.451 nan 8.360 nan 0.000 0.466 327 E N 0.567 120.768 120.200 0.001 0.000 2.204 327 E HA -0.110 4.240 4.350 0.001 0.000 0.194 327 E C 2.170 178.796 176.600 0.044 0.000 0.989 327 E CA 0.530 56.949 56.400 0.032 0.000 0.824 327 E CB -0.058 29.679 29.700 0.062 0.000 0.756 327 E HN 0.325 nan 8.360 nan 0.000 0.477 328 L N 0.697 121.937 121.223 0.028 0.000 2.044 328 L HA -0.130 4.210 4.340 0.001 0.000 0.205 328 L C 2.619 179.523 176.870 0.056 0.000 1.075 328 L CA 1.800 56.679 54.840 0.065 0.000 0.747 328 L CB -0.546 41.559 42.059 0.077 0.000 0.903 328 L HN 0.197 nan 8.230 nan 0.000 0.435 329 T N -4.004 110.564 114.554 0.023 0.000 3.043 329 T HA 0.118 4.469 4.350 0.001 0.000 0.263 329 T C 1.550 176.226 174.700 -0.041 0.000 1.094 329 T CA 0.532 62.633 62.100 0.001 0.000 1.127 329 T CB 0.164 69.020 68.868 -0.019 0.000 0.905 329 T HN 0.455 nan 8.240 nan 0.000 0.490 330 G N 0.752 109.532 108.800 -0.033 0.000 2.155 330 G HA2 -0.215 3.746 3.960 0.001 0.000 0.257 330 G HA3 -0.215 3.746 3.960 0.001 0.000 0.257 330 G C 0.042 174.886 174.900 -0.093 0.000 0.983 330 G CA 0.133 45.208 45.100 -0.042 0.000 0.676 330 G HN 0.779 nan 8.290 nan 0.000 0.528 331 V N 0.724 120.549 119.914 -0.148 0.000 2.328 331 V HA 0.491 4.612 4.120 0.001 0.000 0.278 331 V C 0.664 176.692 176.094 -0.110 0.000 1.021 331 V CA -0.573 61.603 62.300 -0.207 0.000 0.838 331 V CB 1.295 32.817 31.823 -0.502 0.000 0.999 331 V HN 0.331 nan 8.190 nan 0.000 0.447 332 R N 2.993 123.451 120.500 -0.070 0.000 2.790 332 R HA 0.264 4.604 4.340 0.001 0.000 0.274 332 R C 0.735 177.021 176.300 -0.023 0.000 1.334 332 R CA -0.030 56.048 56.100 -0.036 0.000 1.543 332 R CB 0.819 31.104 30.300 -0.025 0.000 1.154 332 R HN 0.787 nan 8.270 nan 0.000 0.601 333 S N 0.588 116.279 115.700 -0.014 0.000 2.568 333 S HA 0.211 4.681 4.470 0.001 0.000 0.232 333 S C 0.103 174.711 174.600 0.015 0.000 0.975 333 S CA -0.381 57.819 58.200 0.000 0.000 0.949 333 S CB 0.258 63.465 63.200 0.013 0.000 0.829 333 S HN 0.283 nan 8.310 nan 0.000 0.479 334 L N 2.085 123.322 121.223 0.024 0.000 2.565 334 L HA 0.616 4.957 4.340 0.001 0.000 0.261 334 L C -2.822 174.077 176.870 0.049 0.000 0.932 334 L CA -1.369 53.500 54.840 0.049 0.000 0.878 334 L CB 1.625 43.741 42.059 0.094 0.000 1.333 334 L HN -0.061 nan 8.230 nan 0.000 0.409 335 P HA 0.232 nan 4.420 nan 0.000 0.274 335 P C -1.230 176.062 177.300 -0.013 0.000 1.237 335 P CA -0.282 62.811 63.100 -0.012 0.000 0.793 335 P CB 0.511 32.180 31.700 -0.052 0.000 0.977 336 D N 2.220 122.620 120.400 0.001 0.000 2.346 336 D HA 0.043 4.683 4.640 0.001 0.000 0.260 336 D C -1.343 174.884 176.300 -0.122 0.000 1.252 336 D CA -1.950 52.029 54.000 -0.036 0.000 0.895 336 D CB 0.443 41.338 40.800 0.160 0.000 1.097 336 D HN 0.140 nan 8.370 nan 0.000 0.489 337 P HA -0.105 nan 4.420 nan 0.000 0.233 337 P C 0.504 177.573 177.300 -0.386 0.000 1.167 337 P CA 0.720 63.576 63.100 -0.406 0.000 0.770 337 P CB -0.024 31.311 31.700 -0.609 0.000 0.837 338 Y N -1.607 118.620 120.300 -0.122 0.000 2.490 338 Y HA 0.018 4.568 4.550 0.001 0.000 0.281 338 Y C 2.637 178.568 175.900 0.052 0.000 1.174 338 Y CA 0.070 58.148 58.100 -0.036 0.000 1.295 338 Y CB -1.072 37.312 38.460 -0.126 0.000 1.062 338 Y HN 0.098 nan 8.280 nan 0.000 0.522 339 H N 0.713 119.843 119.070 0.100 0.000 2.289 339 H HA -0.234 4.323 4.556 0.001 0.000 0.294 339 H C 2.063 177.429 175.328 0.064 0.000 1.095 339 H CA 2.566 58.664 56.048 0.084 0.000 1.256 339 H CB 0.134 29.917 29.762 0.036 0.000 1.359 339 H HN 0.383 nan 8.280 nan 0.000 0.487 340 E N -1.201 118.967 120.200 -0.054 0.000 2.170 340 E HA -0.066 4.285 4.350 0.001 0.000 0.191 340 E C 1.848 178.415 176.600 -0.056 0.000 0.981 340 E CA 0.468 56.795 56.400 -0.122 0.000 0.830 340 E CB -0.212 29.540 29.700 0.086 0.000 0.775 340 E HN 0.492 nan 8.360 nan 0.000 0.470 341 F N 1.056 120.947 119.950 -0.098 0.000 2.120 341 F HA -0.204 4.324 4.527 0.001 0.000 0.300 341 F C 1.565 177.306 175.800 -0.099 0.000 1.095 341 F CA 1.529 59.483 58.000 -0.076 0.000 1.249 341 F CB 0.008 38.986 39.000 -0.036 0.000 0.995 341 F HN 0.005 nan 8.300 nan 0.000 0.480 342 L N -0.721 120.430 121.223 -0.121 0.000 2.446 342 L HA 0.097 4.437 4.340 0.001 0.000 0.219 342 L C 2.644 179.374 176.870 -0.234 0.000 1.116 342 L CA 0.579 55.283 54.840 -0.227 0.000 0.844 342 L CB -1.044 40.942 42.059 -0.122 0.000 0.970 342 L HN 0.187 nan 8.230 nan 0.000 0.457 343 A N 0.868 123.528 122.820 -0.266 0.000 1.917 343 A HA -0.169 4.152 4.320 0.001 0.000 0.219 343 A C 2.238 179.713 177.584 -0.181 0.000 1.182 343 A CA 1.999 53.876 52.037 -0.267 0.000 0.633 343 A CB -0.985 17.795 19.000 -0.367 0.000 0.819 343 A HN 0.432 nan 8.150 nan 0.000 0.448 344 G N -1.861 106.827 108.800 -0.186 0.000 3.042 344 G HA2 0.182 4.142 3.960 0.001 0.000 0.212 344 G HA3 0.182 4.142 3.960 0.001 0.000 0.212 344 G C 1.324 176.136 174.900 -0.146 0.000 1.166 344 G CA 0.437 45.449 45.100 -0.146 0.000 0.767 344 G HN 0.449 nan 8.290 nan 0.000 0.546 345 M N 0.229 119.724 119.600 -0.175 0.000 2.492 345 M HA 0.236 4.717 4.480 0.001 0.000 0.262 345 M C 1.418 177.657 176.300 -0.102 0.000 1.090 345 M CA 0.951 56.157 55.300 -0.157 0.000 1.110 345 M CB 0.103 32.587 32.600 -0.193 0.000 1.407 345 M HN 0.324 nan 8.290 nan 0.000 0.470 346 G N -0.896 107.851 108.800 -0.089 0.000 2.526 346 G HA2 0.121 4.081 3.960 0.001 0.000 0.250 346 G HA3 0.121 4.081 3.960 0.001 0.000 0.250 346 G C 0.303 175.174 174.900 -0.048 0.000 1.289 346 G CA -0.544 44.520 45.100 -0.061 0.000 0.947 346 G HN 0.622 nan 8.290 nan 0.000 0.517 347 G N -1.500 107.281 108.800 -0.031 0.000 2.234 347 G HA2 -0.268 3.693 3.960 0.001 0.000 0.235 347 G HA3 -0.268 3.693 3.960 0.001 0.000 0.235 347 G C 0.868 175.757 174.900 -0.017 0.000 0.997 347 G CA 1.142 46.232 45.100 -0.017 0.000 0.623 347 G HN 1.466 nan 8.290 nan 0.000 0.514 348 N N 0.907 119.591 118.700 -0.027 0.000 2.322 348 N HA 0.093 4.834 4.740 0.001 0.000 0.194 348 N C -0.107 175.389 175.510 -0.024 0.000 1.126 348 N CA 0.910 53.946 53.050 -0.023 0.000 0.845 348 N CB 0.530 39.002 38.487 -0.026 0.000 0.976 348 N HN 0.424 nan 8.380 nan 0.000 0.475 349 T N 1.446 115.983 114.554 -0.028 0.000 2.807 349 T HA 0.255 4.606 4.350 0.001 0.000 0.279 349 T C -0.204 174.468 174.700 -0.046 0.000 0.993 349 T CA -0.570 61.509 62.100 -0.036 0.000 0.970 349 T CB 2.156 71.004 68.868 -0.034 0.000 0.950 349 T HN -0.065 nan 8.240 nan 0.000 0.441 350 L N 5.393 126.574 121.223 -0.071 0.000 2.385 350 L HA 0.355 4.695 4.340 0.001 0.000 0.281 350 L C -0.470 176.343 176.870 -0.095 0.000 1.106 350 L CA 0.066 54.841 54.840 -0.108 0.000 0.856 350 L CB -0.471 41.464 42.059 -0.207 0.000 1.186 350 L HN 0.548 nan 8.230 nan 0.000 0.453 351 L N 4.309 125.490 121.223 -0.070 0.000 2.436 351 L HA 0.206 4.546 4.340 0.001 0.000 0.265 351 L C 1.139 177.973 176.870 -0.061 0.000 1.168 351 L CA -0.693 54.115 54.840 -0.054 0.000 0.815 351 L CB 0.359 42.397 42.059 -0.034 0.000 1.109 351 L HN 0.554 nan 8.230 nan 0.000 0.462 352 D N 1.505 121.877 120.400 -0.048 0.000 2.123 352 D HA -0.166 4.475 4.640 0.001 0.000 0.196 352 D C 1.937 178.216 176.300 -0.036 0.000 0.992 352 D CA 1.726 55.700 54.000 -0.044 0.000 0.833 352 D CB 0.051 40.832 40.800 -0.031 0.000 0.954 352 D HN 0.702 nan 8.370 nan 0.000 0.455 353 A N 0.806 123.609 122.820 -0.029 0.000 1.969 353 A HA -0.188 4.133 4.320 0.001 0.000 0.218 353 A C 2.061 179.626 177.584 -0.031 0.000 1.169 353 A CA 1.379 53.402 52.037 -0.023 0.000 0.635 353 A CB -0.415 18.577 19.000 -0.013 0.000 0.810 353 A HN 0.219 nan 8.150 nan 0.000 0.445 354 E N -0.711 119.466 120.200 -0.038 0.000 2.047 354 E HA -0.167 4.184 4.350 0.001 0.000 0.191 354 E C 2.308 178.884 176.600 -0.040 0.000 0.987 354 E CA 0.998 57.370 56.400 -0.046 0.000 0.799 354 E CB -0.193 29.476 29.700 -0.050 0.000 0.752 354 E HN 0.568 nan 8.360 nan 0.000 0.449 355 R N 0.751 121.215 120.500 -0.061 0.000 2.083 355 R HA -0.164 4.177 4.340 0.001 0.000 0.237 355 R C 2.274 178.577 176.300 0.006 0.000 1.137 355 R CA 1.421 57.491 56.100 -0.050 0.000 0.951 355 R CB -0.233 29.998 30.300 -0.114 0.000 0.851 355 R HN 0.163 nan 8.270 nan 0.000 0.434 356 A N 0.624 123.435 122.820 -0.014 0.000 1.902 356 A HA -0.099 4.221 4.320 0.001 0.000 0.217 356 A C 2.338 179.912 177.584 -0.017 0.000 1.181 356 A CA 1.663 53.694 52.037 -0.010 0.000 0.623 356 A CB -0.712 18.279 19.000 -0.016 0.000 0.818 356 A HN 0.539 nan 8.150 nan 0.000 0.443 357 A N -0.259 122.541 122.820 -0.032 0.000 1.933 357 A HA -0.077 4.244 4.320 0.001 0.000 0.218 357 A C 2.088 179.640 177.584 -0.053 0.000 1.175 357 A CA 1.605 53.608 52.037 -0.058 0.000 0.628 357 A CB -0.542 18.409 19.000 -0.081 0.000 0.814 357 A HN 0.513 nan 8.150 nan 0.000 0.444 358 I N -0.891 119.667 120.570 -0.020 0.000 2.406 358 I HA -0.114 4.056 4.170 0.001 0.000 0.249 358 I C 2.270 178.381 176.117 -0.010 0.000 1.122 358 I CA 0.754 62.046 61.300 -0.013 0.000 1.431 358 I CB -0.236 37.800 38.000 0.061 0.000 1.087 358 I HN 0.188 nan 8.210 nan 0.000 0.424 359 E N 1.072 121.282 120.200 0.017 0.000 2.153 359 E HA -0.227 4.123 4.350 0.001 0.000 0.194 359 E C 1.916 178.510 176.600 -0.010 0.000 0.988 359 E CA 1.042 57.448 56.400 0.010 0.000 0.811 359 E CB -0.192 29.525 29.700 0.027 0.000 0.746 359 E HN 0.541 nan 8.360 nan 0.000 0.466 360 E N 0.022 120.212 120.200 -0.017 0.000 2.267 360 E HA -0.154 4.196 4.350 0.001 0.000 0.197 360 E C 1.671 178.256 176.600 -0.024 0.000 0.998 360 E CA 0.581 56.968 56.400 -0.021 0.000 0.830 360 E CB 0.067 29.751 29.700 -0.028 0.000 0.751 360 E HN 0.228 nan 8.360 nan 0.000 0.491 361 I N -0.142 120.408 120.570 -0.033 0.000 3.228 361 I HA -0.090 4.081 4.170 0.001 0.000 0.279 361 I C 2.208 178.301 176.117 -0.040 0.000 1.221 361 I CA 0.457 61.734 61.300 -0.037 0.000 1.458 361 I CB -0.802 37.170 38.000 -0.047 0.000 1.105 361 I HN -0.034 nan 8.210 nan 0.000 0.445 362 V N 2.840 122.731 119.914 -0.039 0.000 2.324 362 V HA -0.193 3.927 4.120 0.001 0.000 0.250 362 V C -0.058 176.016 176.094 -0.035 0.000 1.060 362 V CA 2.253 64.529 62.300 -0.040 0.000 1.042 362 V CB -2.097 29.704 31.823 -0.036 0.000 0.650 362 V HN 0.274 nan 8.190 nan 0.000 0.450 363 P HA -0.143 nan 4.420 nan 0.000 0.218 363 P C 1.746 179.024 177.300 -0.036 0.000 1.146 363 P CA 1.292 64.377 63.100 -0.025 0.000 0.813 363 P CB -0.144 31.546 31.700 -0.017 0.000 0.778 364 L N -1.765 119.429 121.223 -0.048 0.000 2.275 364 L HA -0.114 4.226 4.340 0.001 0.000 0.215 364 L C 2.228 179.042 176.870 -0.094 0.000 1.119 364 L CA 0.873 55.668 54.840 -0.075 0.000 0.790 364 L CB -0.902 41.106 42.059 -0.084 0.000 0.919 364 L HN 0.017 nan 8.230 nan 0.000 0.443 365 L N 0.078 121.258 121.223 -0.071 0.000 2.191 365 L HA -0.171 4.169 4.340 0.001 0.000 0.212 365 L C 2.807 179.639 176.870 -0.062 0.000 1.103 365 L CA 0.921 55.721 54.840 -0.066 0.000 0.769 365 L CB -0.645 41.388 42.059 -0.043 0.000 0.908 365 L HN 0.258 nan 8.230 nan 0.000 0.438 366 A N -0.707 122.082 122.820 -0.052 0.000 2.067 366 A HA -0.164 4.157 4.320 0.001 0.000 0.219 366 A C 1.655 179.211 177.584 -0.047 0.000 1.158 366 A CA 1.364 53.379 52.037 -0.037 0.000 0.661 366 A CB -0.268 18.718 19.000 -0.023 0.000 0.801 366 A HN 0.354 nan 8.150 nan 0.000 0.452 367 D N -0.487 119.861 120.400 -0.087 0.000 2.339 367 D HA 0.198 4.838 4.640 0.001 0.000 0.217 367 D C 0.635 176.811 176.300 -0.208 0.000 1.050 367 D CA 0.131 54.062 54.000 -0.115 0.000 0.856 367 D CB 0.230 40.952 40.800 -0.130 0.000 0.922 367 D HN 0.449 nan 8.370 nan 0.000 0.518 368 I N 0.000 120.460 120.570 -0.183 0.000 2.984 368 I HA 0.000 4.171 4.170 0.001 0.000 0.288 368 I CA 0.000 61.197 61.300 -0.172 0.000 1.566 368 I CB 0.000 37.955 38.000 -0.075 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494