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 2vcg_1_B DATA FIRST_RESID 8 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 VPLLADIR 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.639 177.584 0.091 0.000 1.274 8 A CA 0.000 52.081 52.037 0.074 0.000 0.836 8 A CB 0.000 19.038 19.000 0.064 0.000 0.831 9 I N 2.842 123.474 120.570 0.104 0.000 2.354 9 I HA 0.438 4.617 4.170 0.015 0.000 0.286 9 I C 1.113 177.323 176.117 0.156 0.000 1.007 9 I CA -0.326 61.053 61.300 0.131 0.000 1.167 9 I CB 0.719 38.797 38.000 0.129 0.000 1.320 9 I HN 0.790 nan 8.210 nan 0.000 0.458 10 G N 5.786 114.685 108.800 0.165 0.000 2.491 10 G HA2 0.209 4.178 3.960 0.015 0.000 0.242 10 G HA3 0.209 4.178 3.960 0.015 0.000 0.242 10 G C -1.350 173.717 174.900 0.279 0.000 1.266 10 G CA -0.005 45.203 45.100 0.179 0.000 0.844 10 G HN 0.597 nan 8.290 nan 0.000 0.571 11 Y N 1.428 121.799 120.300 0.118 0.000 2.361 11 Y HA 0.471 5.030 4.550 0.015 0.000 0.328 11 Y C -0.951 175.037 175.900 0.147 0.000 1.044 11 Y CA -0.950 57.238 58.100 0.147 0.000 1.085 11 Y CB 1.947 40.475 38.460 0.114 0.000 1.194 11 Y HN 0.446 nan 8.280 nan 0.000 0.438 12 V N 6.629 126.307 119.914 -0.394 0.000 2.384 12 V HA 0.330 4.459 4.120 0.015 0.000 0.287 12 V C -1.058 174.824 176.094 -0.354 0.000 1.020 12 V CA -0.704 61.431 62.300 -0.275 0.000 0.850 12 V CB 1.439 33.229 31.823 -0.056 0.000 0.987 12 V HN 0.813 nan 8.190 nan 0.000 0.436 13 W N 6.322 127.324 121.300 -0.497 0.000 3.042 13 W HA 0.453 5.122 4.660 0.016 0.000 0.337 13 W C -1.749 174.444 176.519 -0.543 0.000 1.086 13 W CA -0.573 56.510 57.345 -0.436 0.000 1.236 13 W CB 2.071 31.153 29.460 -0.629 0.000 1.381 13 W HN 0.608 nan 8.180 nan 0.000 0.472 14 N N 2.840 120.479 118.700 -1.768 0.000 2.321 14 N HA 0.186 4.935 4.740 0.015 0.000 0.299 14 N C 0.723 175.185 175.510 -1.747 0.000 1.048 14 N CA -0.027 52.066 53.050 -1.594 0.000 0.836 14 N CB 2.208 39.678 38.487 -1.696 0.000 1.269 14 N HN 0.403 nan 8.380 nan 0.000 0.486 15 T N 3.111 117.079 114.554 -0.976 0.000 2.685 15 T HA -0.123 4.237 4.350 0.015 0.000 0.268 15 T C 1.858 176.054 174.700 -0.841 0.000 1.034 15 T CA 1.195 62.907 62.100 -0.648 0.000 1.149 15 T CB -0.065 68.510 68.868 -0.488 0.000 0.860 15 T HN 0.507 nan 8.240 nan 0.000 0.449 16 L N -0.172 120.492 121.223 -0.931 0.000 2.191 16 L HA -0.096 4.253 4.340 0.015 0.000 0.212 16 L C 2.350 179.032 176.870 -0.313 0.000 1.103 16 L CA 1.035 55.460 54.840 -0.692 0.000 0.769 16 L CB -0.685 41.065 42.059 -0.515 0.000 0.908 16 L HN 0.290 nan 8.230 nan 0.000 0.438 17 Y N 0.310 120.238 120.300 -0.620 0.000 2.256 17 Y HA -0.160 4.399 4.550 0.015 0.000 0.288 17 Y C 2.491 178.267 175.900 -0.206 0.000 1.155 17 Y CA 0.889 58.667 58.100 -0.537 0.000 1.203 17 Y CB -1.408 36.451 38.460 -1.001 0.000 0.980 17 Y HN 0.115 nan 8.280 nan 0.000 0.530 18 G N -2.723 106.138 108.800 0.102 0.000 2.985 18 G HA2 -0.115 3.854 3.960 0.015 0.000 0.209 18 G HA3 -0.115 3.854 3.960 0.015 0.000 0.209 18 G C 0.591 175.793 174.900 0.504 0.000 1.165 18 G CA -0.071 45.324 45.100 0.491 0.000 0.776 18 G HN 0.316 nan 8.290 nan 0.000 0.541 19 W N 0.538 121.844 121.300 0.010 0.000 3.239 19 W HA 0.414 5.082 4.660 0.014 0.000 0.348 19 W C 0.373 176.856 176.519 -0.061 0.000 1.183 19 W CA -1.491 55.839 57.345 -0.025 0.000 1.819 19 W CB -0.405 29.033 29.460 -0.038 0.000 1.091 19 W HN -0.216 nan 8.180 nan 0.000 0.629 20 V N 2.679 122.677 119.914 0.140 0.000 2.509 20 V HA -0.126 4.003 4.120 0.015 0.000 0.297 20 V C 0.498 176.552 176.094 -0.065 0.000 1.014 20 V CA 0.356 62.672 62.300 0.027 0.000 1.127 20 V CB 0.055 31.878 31.823 0.001 0.000 0.925 20 V HN -0.114 nan 8.190 nan 0.000 0.480 21 D N 4.412 124.770 120.400 -0.070 0.000 2.338 21 D HA 0.111 4.760 4.640 0.015 0.000 0.255 21 D C 1.119 177.313 176.300 -0.177 0.000 1.237 21 D CA 0.117 54.045 54.000 -0.121 0.000 0.883 21 D CB 1.355 42.105 40.800 -0.083 0.000 1.087 21 D HN 0.753 nan 8.370 nan 0.000 0.485 22 T N 0.716 115.122 114.554 -0.248 0.000 3.092 22 T HA 0.466 4.825 4.350 0.015 0.000 0.258 22 T C 1.089 175.581 174.700 -0.346 0.000 1.031 22 T CA 0.207 62.074 62.100 -0.388 0.000 0.925 22 T CB 0.103 68.704 68.868 -0.446 0.000 1.036 22 T HN 0.544 nan 8.240 nan 0.000 0.544 23 G N 1.948 110.642 108.800 -0.177 0.000 2.553 23 G HA2 -0.218 3.751 3.960 0.015 0.000 0.242 23 G HA3 -0.218 3.751 3.960 0.015 0.000 0.242 23 G C 0.482 175.368 174.900 -0.023 0.000 1.277 23 G CA 0.520 45.565 45.100 -0.091 0.000 0.910 23 G HN 1.126 nan 8.290 nan 0.000 0.576 24 T N -1.767 112.799 114.554 0.019 0.000 3.170 24 T HA 0.621 4.981 4.350 0.015 0.000 0.288 24 T C 1.064 175.810 174.700 0.077 0.000 0.992 24 T CA 1.147 63.271 62.100 0.041 0.000 0.909 24 T CB 0.640 69.517 68.868 0.014 0.000 1.133 24 T HN 1.866 nan 8.240 nan 0.000 0.530 25 G N 0.628 109.508 108.800 0.134 0.000 2.557 25 G HA2 0.478 4.447 3.960 0.015 0.000 0.292 25 G HA3 0.478 4.447 3.960 0.015 0.000 0.292 25 G C 0.585 175.578 174.900 0.154 0.000 1.237 25 G CA -0.404 44.784 45.100 0.146 0.000 0.978 25 G HN 0.169 nan 8.290 nan 0.000 0.498 26 S N -1.087 114.620 115.700 0.012 0.000 2.404 26 S HA 0.060 4.539 4.470 0.015 0.000 0.223 26 S C 1.218 175.507 174.600 -0.519 0.000 1.040 26 S CA 0.726 58.832 58.200 -0.157 0.000 0.957 26 S CB -0.070 63.079 63.200 -0.086 0.000 0.826 26 S HN 0.336 nan 8.310 nan 0.000 0.491 27 L N -1.012 120.060 121.223 -0.250 0.000 2.208 27 L HA 0.566 4.915 4.340 0.015 0.000 0.133 27 L C 0.170 177.168 176.870 0.213 0.000 1.385 27 L CA 0.639 55.403 54.840 -0.126 0.000 1.030 27 L CB -0.739 41.262 42.059 -0.097 0.000 2.075 27 L HN 0.121 nan 8.230 nan 0.000 0.482 28 A N 0.688 123.570 122.820 0.102 0.000 2.272 28 A HA 0.753 5.082 4.320 0.015 0.000 0.275 28 A C 0.334 177.987 177.584 0.115 0.000 1.096 28 A CA 0.141 52.245 52.037 0.111 0.000 0.822 28 A CB -0.230 18.801 19.000 0.052 0.000 1.088 28 A HN 0.575 nan 8.150 nan 0.000 0.495 29 A N -0.104 122.769 122.820 0.089 0.000 2.492 29 A HA 0.486 4.815 4.320 0.015 0.000 0.236 29 A C 1.002 178.618 177.584 0.054 0.000 1.078 29 A CA 0.247 52.326 52.037 0.070 0.000 0.773 29 A CB -0.680 18.345 19.000 0.042 0.000 1.023 29 A HN 2.342 nan 8.150 nan 0.000 0.504 30 A N 1.213 124.062 122.820 0.048 0.000 2.555 30 A HA 0.361 4.690 4.320 0.015 0.000 0.233 30 A C 0.499 178.097 177.584 0.024 0.000 1.060 30 A CA 0.650 52.706 52.037 0.033 0.000 0.759 30 A CB -0.243 18.773 19.000 0.027 0.000 0.995 30 A HN 1.032 nan 8.150 nan 0.000 0.506 31 N N 2.115 120.826 118.700 0.019 0.000 2.664 31 N HA 0.178 4.927 4.740 0.015 0.000 0.268 31 N C 0.273 175.790 175.510 0.012 0.000 1.222 31 N CA -0.446 52.613 53.050 0.015 0.000 0.805 31 N CB 0.534 39.031 38.487 0.016 0.000 1.399 31 N HN 0.512 nan 8.380 nan 0.000 0.547 32 L N 0.916 122.145 121.223 0.010 0.000 2.012 32 L HA -0.185 4.164 4.340 0.015 0.000 0.210 32 L C 2.365 179.239 176.870 0.007 0.000 1.073 32 L CA 2.174 57.019 54.840 0.008 0.000 0.748 32 L CB -0.400 41.663 42.059 0.007 0.000 0.891 32 L HN 0.676 nan 8.230 nan 0.000 0.431 33 T N -2.986 111.572 114.554 0.007 0.000 2.867 33 T HA -0.094 4.265 4.350 0.015 0.000 0.268 33 T C 1.736 176.440 174.700 0.007 0.000 1.057 33 T CA 0.874 62.977 62.100 0.006 0.000 1.136 33 T CB -0.295 68.576 68.868 0.005 0.000 0.874 33 T HN 0.309 nan 8.240 nan 0.000 0.466 34 A N 1.111 123.936 122.820 0.008 0.000 2.168 34 A HA 0.217 4.546 4.320 0.015 0.000 0.215 34 A C 1.148 178.737 177.584 0.008 0.000 1.152 34 A CA 0.196 52.237 52.037 0.008 0.000 0.716 34 A CB -0.435 18.570 19.000 0.009 0.000 0.794 34 A HN 0.406 nan 8.150 nan 0.000 0.465 35 R N -1.868 118.637 120.500 0.008 0.000 3.423 35 R HA -0.161 4.188 4.340 0.015 0.000 0.271 35 R C -0.743 175.563 176.300 0.010 0.000 1.093 35 R CA 1.049 57.154 56.100 0.009 0.000 0.730 35 R CB -2.734 27.570 30.300 0.008 0.000 1.190 35 R HN 0.657 nan 8.270 nan 0.000 0.437 36 M N 0.917 120.523 119.600 0.011 0.000 2.261 36 M HA 0.154 4.643 4.480 0.015 0.000 0.349 36 M C 0.928 177.237 176.300 0.014 0.000 1.305 36 M CA 0.143 55.451 55.300 0.012 0.000 1.240 36 M CB 1.248 33.856 32.600 0.013 0.000 1.394 36 M HN 0.042 nan 8.290 nan 0.000 0.438 37 Q N 4.161 123.970 119.800 0.014 0.000 2.315 37 Q HA 0.141 4.490 4.340 0.015 0.000 0.289 37 Q C -2.131 173.880 176.000 0.019 0.000 1.044 37 Q CA -1.198 54.614 55.803 0.015 0.000 0.920 37 Q CB 0.585 29.332 28.738 0.015 0.000 1.214 37 Q HN 0.287 nan 8.270 nan 0.000 0.392 38 P HA 0.083 nan 4.420 nan 0.000 0.269 38 P C -0.936 176.380 177.300 0.027 0.000 1.217 38 P CA 0.245 63.359 63.100 0.023 0.000 0.783 38 P CB 0.476 32.186 31.700 0.016 0.000 0.898 39 I N -0.275 120.316 120.570 0.035 0.000 2.894 39 I HA 0.186 4.365 4.170 0.015 0.000 0.302 39 I C 0.820 176.959 176.117 0.036 0.000 1.188 39 I CA -0.408 60.917 61.300 0.042 0.000 1.014 39 I CB 2.058 40.088 38.000 0.050 0.000 1.242 39 I HN 0.113 nan 8.210 nan 0.000 0.430 40 S N 2.173 117.887 115.700 0.024 0.000 2.428 40 S HA 0.008 4.487 4.470 0.015 0.000 0.230 40 S C -0.164 174.277 174.600 -0.265 0.000 1.014 40 S CA 1.060 59.205 58.200 -0.091 0.000 0.957 40 S CB -0.283 62.879 63.200 -0.064 0.000 0.784 40 S HN 0.578 nan 8.310 nan 0.000 0.499 41 H N 0.086 119.185 119.070 0.049 0.000 2.866 41 H HA 0.345 4.910 4.556 0.016 0.000 0.287 41 H C -0.363 175.049 175.328 0.139 0.000 1.106 41 H CA -0.688 55.400 56.048 0.067 0.000 1.396 41 H CB 0.312 30.000 29.762 -0.123 0.000 1.469 41 H HN 0.240 nan 8.280 nan 0.000 0.500 42 H N 2.206 121.381 119.070 0.174 0.000 3.016 42 H HA -0.059 4.506 4.556 0.015 0.000 0.345 42 H C 0.960 176.352 175.328 0.108 0.000 1.066 42 H CA 0.203 56.302 56.048 0.085 0.000 1.390 42 H CB 0.888 30.653 29.762 0.004 0.000 1.344 42 H HN 0.670 nan 8.280 nan 0.000 0.605 43 L N 3.464 124.518 121.223 -0.281 0.000 2.021 43 L HA -0.272 4.077 4.340 0.015 0.000 0.215 43 L C 2.174 179.150 176.870 0.176 0.000 1.074 43 L CA 1.840 56.621 54.840 -0.098 0.000 0.760 43 L CB -0.560 41.327 42.059 -0.287 0.000 0.889 43 L HN 0.813 nan 8.230 nan 0.000 0.433 44 A N -2.061 120.884 122.820 0.208 0.000 2.359 44 A HA -0.014 4.315 4.320 0.015 0.000 0.240 44 A C 0.417 178.137 177.584 0.227 0.000 1.306 44 A CA -0.274 51.918 52.037 0.258 0.000 0.898 44 A CB -1.141 17.575 19.000 -0.474 0.000 0.956 44 A HN 0.446 nan 8.150 nan 0.000 0.497 45 H N 1.247 120.449 119.070 0.219 0.000 3.094 45 H HA 0.062 4.627 4.556 0.015 0.000 0.320 45 H C -1.195 174.242 175.328 0.180 0.000 1.000 45 H CA -0.255 55.899 56.048 0.177 0.000 1.413 45 H CB 1.032 30.948 29.762 0.256 0.000 1.405 45 H HN 0.143 nan 8.280 nan 0.000 0.586 46 P HA -0.118 nan 4.420 nan 0.000 0.230 46 P C 0.585 178.103 177.300 0.363 0.000 1.158 46 P CA 0.729 63.951 63.100 0.202 0.000 0.769 46 P CB 0.412 32.183 31.700 0.117 0.000 0.807 47 D N -0.174 120.571 120.400 0.575 0.000 2.158 47 D HA -0.123 4.526 4.640 0.015 0.000 0.197 47 D C 1.890 178.326 176.300 0.228 0.000 0.995 47 D CA 1.441 55.677 54.000 0.394 0.000 0.846 47 D CB -0.848 40.137 40.800 0.309 0.000 0.941 47 D HN 0.136 nan 8.370 nan 0.000 0.456 48 T N 0.482 115.165 114.554 0.215 0.000 2.708 48 T HA -0.130 4.230 4.350 0.015 0.000 0.266 48 T C 1.860 176.655 174.700 0.159 0.000 1.037 48 T CA 1.244 63.421 62.100 0.128 0.000 1.146 48 T CB -0.057 68.877 68.868 0.110 0.000 0.865 48 T HN 0.202 nan 8.240 nan 0.000 0.435 49 K N 0.546 121.087 120.400 0.234 0.000 2.103 49 K HA 0.045 4.374 4.320 0.015 0.000 0.204 49 K C 2.504 179.214 176.600 0.184 0.000 1.052 49 K CA 0.630 57.104 56.287 0.312 0.000 0.945 49 K CB -0.096 32.643 32.500 0.399 0.000 0.722 49 K HN 0.151 nan 8.250 nan 0.000 0.443 50 R N 1.592 122.214 120.500 0.203 0.000 2.091 50 R HA -0.120 4.229 4.340 0.015 0.000 0.238 50 R C 2.088 178.328 176.300 -0.101 0.000 1.136 50 R CA 1.426 57.511 56.100 -0.025 0.000 0.959 50 R CB 0.024 30.466 30.300 0.238 0.000 0.856 50 R HN 0.102 nan 8.270 nan 0.000 0.437 51 R N -0.578 119.927 120.500 0.008 0.000 2.096 51 R HA -0.154 4.196 4.340 0.015 0.000 0.235 51 R C 2.211 178.482 176.300 -0.048 0.000 1.127 51 R CA 1.734 57.815 56.100 -0.031 0.000 0.968 51 R CB -0.434 29.855 30.300 -0.018 0.000 0.861 51 R HN 0.340 nan 8.270 nan 0.000 0.440 52 F N 0.598 120.430 119.950 -0.196 0.000 2.102 52 F HA -0.309 4.229 4.527 0.018 0.000 0.298 52 F C 2.609 178.254 175.800 -0.258 0.000 1.105 52 F CA 1.683 59.540 58.000 -0.238 0.000 1.239 52 F CB -0.131 38.782 39.000 -0.146 0.000 0.991 52 F HN 0.123 nan 8.300 nan 0.000 0.474 53 H N 0.601 119.390 119.070 -0.469 0.000 2.319 53 H HA -0.190 4.375 4.556 0.015 0.000 0.299 53 H C 2.027 177.099 175.328 -0.425 0.000 1.092 53 H CA 2.510 58.167 56.048 -0.651 0.000 1.302 53 H CB -0.498 28.414 29.762 -1.415 0.000 1.373 53 H HN 0.402 nan 8.280 nan 0.000 0.497 54 E N -0.467 119.422 120.200 -0.519 0.000 2.110 54 E HA -0.150 4.209 4.350 0.015 0.000 0.193 54 E C 2.205 178.603 176.600 -0.338 0.000 0.988 54 E CA 1.007 57.152 56.400 -0.425 0.000 0.804 54 E CB -0.142 29.430 29.700 -0.214 0.000 0.745 54 E HN 0.362 nan 8.360 nan 0.000 0.458 55 L N 0.809 121.865 121.223 -0.278 0.000 2.056 55 L HA -0.137 4.212 4.340 0.015 0.000 0.207 55 L C 2.238 178.950 176.870 -0.263 0.000 1.078 55 L CA 1.267 55.947 54.840 -0.267 0.000 0.749 55 L CB -0.363 41.486 42.059 -0.349 0.000 0.901 55 L HN -0.085 nan 8.230 nan 0.000 0.433 56 V N -0.929 118.809 119.914 -0.293 0.000 2.324 56 V HA -0.398 3.731 4.120 0.015 0.000 0.250 56 V C 2.601 178.481 176.094 -0.357 0.000 1.060 56 V CA 2.028 64.120 62.300 -0.347 0.000 1.042 56 V CB -0.870 30.628 31.823 -0.542 0.000 0.650 56 V HN 0.645 nan 8.190 nan 0.000 0.450 57 C N -0.043 119.001 119.300 -0.426 0.000 2.489 57 C HA 0.023 4.492 4.460 0.015 0.000 0.279 57 C C 3.074 177.936 174.990 -0.214 0.000 1.266 57 C CA 0.598 59.418 59.018 -0.330 0.000 1.707 57 C CB -1.351 26.150 27.740 -0.399 0.000 2.059 57 C HN 0.616 nan 8.230 nan 0.000 0.481 58 A N 1.310 124.008 122.820 -0.203 0.000 2.015 58 A HA -0.130 4.199 4.320 0.015 0.000 0.219 58 A C 2.247 179.773 177.584 -0.097 0.000 1.163 58 A CA 2.075 54.034 52.037 -0.130 0.000 0.646 58 A CB -0.751 18.180 19.000 -0.116 0.000 0.806 58 A HN 0.723 nan 8.150 nan 0.000 0.448 59 S N -1.780 113.853 115.700 -0.112 0.000 2.481 59 S HA 0.291 4.770 4.470 0.015 0.000 0.231 59 S C 1.581 176.154 174.600 -0.045 0.000 0.996 59 S CA 1.263 59.422 58.200 -0.068 0.000 0.942 59 S CB -0.448 62.703 63.200 -0.081 0.000 0.768 59 S HN 1.921 nan 8.310 nan 0.000 0.520 60 G N 0.772 109.532 108.800 -0.067 0.000 2.176 60 G HA2 -0.371 3.598 3.960 0.015 0.000 0.253 60 G HA3 -0.371 3.598 3.960 0.015 0.000 0.253 60 G C 0.704 175.604 174.900 -0.001 0.000 0.979 60 G CA 0.632 45.707 45.100 -0.042 0.000 0.641 60 G HN 0.575 nan 8.290 nan 0.000 0.530 61 Q N 0.199 119.984 119.800 -0.024 0.000 2.170 61 Q HA 0.071 4.420 4.340 0.015 0.000 0.203 61 Q C 2.347 178.310 176.000 -0.061 0.000 0.976 61 Q CA 2.080 57.890 55.803 0.011 0.000 0.858 61 Q CB -0.340 28.347 28.738 -0.086 0.000 0.907 61 Q HN 0.789 nan 8.270 nan 0.000 0.433 62 I N 1.012 121.473 120.570 -0.181 0.000 2.315 62 I HA -0.265 3.914 4.170 0.015 0.000 0.251 62 I C 1.435 177.457 176.117 -0.157 0.000 1.125 62 I CA 1.631 62.803 61.300 -0.213 0.000 1.392 62 I CB -0.226 37.647 38.000 -0.212 0.000 1.065 62 I HN 0.311 nan 8.210 nan 0.000 0.424 63 E N -0.833 119.241 120.200 -0.209 0.000 2.265 63 E HA -0.197 4.162 4.350 0.015 0.000 0.196 63 E C 1.170 177.496 176.600 -0.457 0.000 0.996 63 E CA 0.949 57.142 56.400 -0.345 0.000 0.832 63 E CB -0.256 29.175 29.700 -0.449 0.000 0.756 63 E HN 0.691 nan 8.360 nan 0.000 0.491 64 H N -0.626 118.414 119.070 -0.050 0.000 2.549 64 H HA 0.239 4.805 4.556 0.016 0.000 0.279 64 H C 0.456 175.774 175.328 -0.017 0.000 1.018 64 H CA 0.147 56.177 56.048 -0.029 0.000 1.175 64 H CB 0.557 30.300 29.762 -0.031 0.000 1.485 64 H HN 0.033 nan 8.280 nan 0.000 0.543 65 L N 0.690 121.931 121.223 0.029 0.000 2.322 65 L HA 0.339 4.688 4.340 0.015 0.000 0.269 65 L C 0.215 177.126 176.870 0.068 0.000 1.012 65 L CA -0.659 54.212 54.840 0.053 0.000 0.815 65 L CB 1.952 44.007 42.059 -0.007 0.000 1.295 65 L HN -0.144 nan 8.230 nan 0.000 0.438 66 T N 2.073 116.693 114.554 0.111 0.000 2.853 66 T HA 0.313 4.672 4.350 0.015 0.000 0.317 66 T C -2.499 172.289 174.700 0.146 0.000 1.059 66 T CA -1.244 60.917 62.100 0.101 0.000 0.954 66 T CB 1.010 69.930 68.868 0.085 0.000 0.994 66 T HN 0.217 nan 8.240 nan 0.000 0.479 67 P HA 0.187 nan 4.420 nan 0.000 0.267 67 P C -0.685 176.674 177.300 0.098 0.000 1.205 67 P CA -0.305 62.901 63.100 0.176 0.000 0.765 67 P CB 0.376 32.168 31.700 0.154 0.000 0.828 68 I N 2.581 123.196 120.570 0.075 0.000 2.418 68 I HA 0.366 4.545 4.170 0.015 0.000 0.287 68 I C 0.466 176.571 176.117 -0.021 0.000 1.008 68 I CA -1.494 59.822 61.300 0.026 0.000 1.104 68 I CB 1.091 39.110 38.000 0.031 0.000 1.264 68 I HN 0.292 nan 8.210 nan 0.000 0.438 69 A N 5.237 128.035 122.820 -0.037 0.000 2.488 69 A HA 0.609 4.938 4.320 0.015 0.000 0.249 69 A C 0.681 178.210 177.584 -0.092 0.000 1.083 69 A CA -0.250 51.739 52.037 -0.081 0.000 0.768 69 A CB 0.196 19.151 19.000 -0.075 0.000 1.017 69 A HN 0.890 nan 8.150 nan 0.000 0.496 70 A N 2.294 125.033 122.820 -0.135 0.000 2.498 70 A HA 0.486 4.816 4.320 0.015 0.000 0.239 70 A C 0.018 177.542 177.584 -0.101 0.000 1.068 70 A CA 0.010 51.984 52.037 -0.105 0.000 0.766 70 A CB 0.047 18.970 19.000 -0.127 0.000 1.003 70 A HN 1.145 nan 8.150 nan 0.000 0.497 71 V N 2.239 122.105 119.914 -0.080 0.000 2.487 71 V HA 0.521 4.650 4.120 0.015 0.000 0.298 71 V C 0.750 176.805 176.094 -0.066 0.000 1.028 71 V CA -0.344 61.910 62.300 -0.076 0.000 0.860 71 V CB 1.265 33.044 31.823 -0.074 0.000 0.991 71 V HN 1.272 nan 8.190 nan 0.000 0.427 72 A N 4.254 127.038 122.820 -0.059 0.000 2.566 72 A HA 0.499 4.828 4.320 0.015 0.000 0.245 72 A C 0.911 178.468 177.584 -0.046 0.000 1.056 72 A CA 0.582 52.594 52.037 -0.042 0.000 0.757 72 A CB -0.047 18.929 19.000 -0.040 0.000 0.979 72 A HN 1.524 nan 8.150 nan 0.000 0.508 73 A N 3.805 126.598 122.820 -0.044 0.000 2.520 73 A HA 0.483 4.812 4.320 0.015 0.000 0.245 73 A C 1.111 178.650 177.584 -0.074 0.000 1.072 73 A CA 0.498 52.495 52.037 -0.067 0.000 0.761 73 A CB -0.490 18.458 19.000 -0.086 0.000 1.004 73 A HN 1.611 nan 8.150 nan 0.000 0.499 74 T N 0.357 114.876 114.554 -0.059 0.000 2.788 74 T HA 0.222 4.581 4.350 0.015 0.000 0.287 74 T C 0.553 175.204 174.700 -0.083 0.000 1.007 74 T CA 0.096 62.165 62.100 -0.052 0.000 1.005 74 T CB 0.530 69.386 68.868 -0.020 0.000 1.012 74 T HN 0.533 nan 8.240 nan 0.000 0.530 75 D N 1.059 121.416 120.400 -0.072 0.000 2.133 75 D HA -0.112 4.537 4.640 0.015 0.000 0.195 75 D C 2.326 178.588 176.300 -0.063 0.000 0.997 75 D CA 1.911 55.861 54.000 -0.084 0.000 0.840 75 D CB -0.835 39.934 40.800 -0.052 0.000 0.947 75 D HN 0.761 nan 8.370 nan 0.000 0.452 76 A N 0.970 123.773 122.820 -0.027 0.000 1.933 76 A HA -0.189 4.140 4.320 0.015 0.000 0.218 76 A C 1.821 179.413 177.584 0.013 0.000 1.175 76 A CA 1.689 53.726 52.037 -0.001 0.000 0.628 76 A CB -0.352 18.658 19.000 0.016 0.000 0.814 76 A HN 0.065 nan 8.150 nan 0.000 0.444 77 D N 0.210 120.616 120.400 0.010 0.000 2.084 77 D HA -0.141 4.508 4.640 0.015 0.000 0.194 77 D C 1.895 178.192 176.300 -0.004 0.000 0.990 77 D CA 1.428 55.450 54.000 0.036 0.000 0.826 77 D CB -0.386 40.419 40.800 0.010 0.000 0.971 77 D HN 0.530 nan 8.370 nan 0.000 0.453 78 I N 0.764 121.270 120.570 -0.106 0.000 2.226 78 I HA -0.228 3.951 4.170 0.015 0.000 0.245 78 I C 2.349 178.445 176.117 -0.034 0.000 1.100 78 I CA 0.665 61.856 61.300 -0.183 0.000 1.374 78 I CB -0.209 37.467 38.000 -0.540 0.000 1.057 78 I HN -0.053 nan 8.210 nan 0.000 0.413 79 L N 0.302 121.505 121.223 -0.034 0.000 2.353 79 L HA -0.147 4.202 4.340 0.015 0.000 0.220 79 L C 2.432 179.324 176.870 0.036 0.000 1.133 79 L CA 0.918 55.765 54.840 0.010 0.000 0.798 79 L CB -0.577 41.485 42.059 0.006 0.000 0.922 79 L HN 0.203 nan 8.230 nan 0.000 0.445 80 R N -0.246 120.278 120.500 0.040 0.000 2.280 80 R HA -0.000 4.349 4.340 0.015 0.000 0.207 80 R C 1.790 178.088 176.300 -0.003 0.000 1.043 80 R CA 0.962 57.099 56.100 0.061 0.000 1.006 80 R CB -0.032 30.340 30.300 0.120 0.000 0.885 80 R HN 0.354 nan 8.270 nan 0.000 0.467 81 A N -0.575 122.204 122.820 -0.069 0.000 2.226 81 A HA 0.188 4.518 4.320 0.015 0.000 0.207 81 A C 0.167 177.487 177.584 -0.441 0.000 1.293 81 A CA -0.093 51.759 52.037 -0.308 0.000 0.968 81 A CB 0.456 19.290 19.000 -0.276 0.000 1.044 81 A HN 0.103 nan 8.150 nan 0.000 0.493 82 H N 0.045 119.072 119.070 -0.072 0.000 2.834 82 H HA 0.465 5.030 4.556 0.015 0.000 0.369 82 H C -0.242 174.765 175.328 -0.533 0.000 1.174 82 H CA -0.022 55.822 56.048 -0.340 0.000 1.165 82 H CB 1.790 31.555 29.762 0.006 0.000 1.820 82 H HN 0.318 nan 8.280 nan 0.000 0.558 83 S N 0.018 115.310 115.700 -0.679 0.000 2.585 83 S HA 0.273 4.752 4.470 0.015 0.000 0.273 83 S C 1.388 175.967 174.600 -0.035 0.000 1.339 83 S CA -0.179 57.849 58.200 -0.286 0.000 1.028 83 S CB 1.361 64.454 63.200 -0.178 0.000 0.906 83 S HN 0.754 nan 8.310 nan 0.000 0.528 84 A N 2.471 125.296 122.820 0.008 0.000 1.940 84 A HA 0.052 4.381 4.320 0.015 0.000 0.219 84 A C 2.400 179.995 177.584 0.017 0.000 1.176 84 A CA 1.955 54.000 52.037 0.013 0.000 0.631 84 A CB -1.675 17.336 19.000 0.018 0.000 0.814 84 A HN 1.395 nan 8.150 nan 0.000 0.446 85 A N -1.059 121.779 122.820 0.030 0.000 1.933 85 A HA -0.179 4.150 4.320 0.015 0.000 0.218 85 A C 2.042 179.662 177.584 0.060 0.000 1.175 85 A CA 2.174 54.233 52.037 0.037 0.000 0.628 85 A CB -0.812 18.212 19.000 0.041 0.000 0.814 85 A HN 0.775 nan 8.150 nan 0.000 0.444 86 H N -0.614 118.444 119.070 -0.019 0.000 2.326 86 H HA -0.055 4.510 4.556 0.015 0.000 0.301 86 H C 1.768 177.126 175.328 0.049 0.000 1.081 86 H CA 1.666 57.712 56.048 -0.005 0.000 1.334 86 H CB -0.362 29.390 29.762 -0.017 0.000 1.385 86 H HN 0.283 nan 8.280 nan 0.000 0.504 87 L N 0.884 122.067 121.223 -0.067 0.000 1.989 87 L HA -0.157 4.192 4.340 0.015 0.000 0.211 87 L C 1.983 178.813 176.870 -0.066 0.000 1.071 87 L CA 2.012 56.809 54.840 -0.072 0.000 0.749 87 L CB -0.755 41.269 42.059 -0.059 0.000 0.890 87 L HN 0.284 nan 8.230 nan 0.000 0.431 88 E N -0.325 119.850 120.200 -0.042 0.000 2.110 88 E HA -0.256 4.103 4.350 0.015 0.000 0.193 88 E C 2.076 178.651 176.600 -0.043 0.000 0.988 88 E CA 1.277 57.658 56.400 -0.031 0.000 0.804 88 E CB -0.715 28.977 29.700 -0.014 0.000 0.745 88 E HN 0.701 nan 8.360 nan 0.000 0.458 89 N N -0.186 118.480 118.700 -0.056 0.000 2.120 89 N HA -0.137 4.612 4.740 0.015 0.000 0.188 89 N C 1.656 177.107 175.510 -0.098 0.000 1.024 89 N CA 0.975 53.992 53.050 -0.056 0.000 0.852 89 N CB 0.091 38.568 38.487 -0.018 0.000 1.003 89 N HN 0.044 nan 8.380 nan 0.000 0.424 90 M N 1.302 120.792 119.600 -0.182 0.000 2.132 90 M HA -0.074 4.415 4.480 0.015 0.000 0.263 90 M C 1.869 178.114 176.300 -0.091 0.000 1.065 90 M CA 1.229 56.411 55.300 -0.197 0.000 1.122 90 M CB -0.902 31.493 32.600 -0.341 0.000 1.365 90 M HN 0.074 nan 8.290 nan 0.000 0.411 91 K N -0.287 120.085 120.400 -0.047 0.000 2.032 91 K HA -0.197 4.132 4.320 0.015 0.000 0.209 91 K C 2.190 178.772 176.600 -0.030 0.000 1.048 91 K CA 1.456 57.729 56.287 -0.024 0.000 0.927 91 K CB -0.306 32.184 32.500 -0.016 0.000 0.712 91 K HN 0.256 nan 8.250 nan 0.000 0.441 92 R N 1.072 121.551 120.500 -0.034 0.000 2.097 92 R HA -0.178 4.171 4.340 0.015 0.000 0.236 92 R C 2.154 178.435 176.300 -0.030 0.000 1.135 92 R CA 1.937 58.020 56.100 -0.028 0.000 0.934 92 R CB -0.435 29.850 30.300 -0.025 0.000 0.846 92 R HN 0.013 nan 8.270 nan 0.000 0.431 93 V N 0.342 120.231 119.914 -0.041 0.000 2.343 93 V HA -0.196 3.933 4.120 0.015 0.000 0.247 93 V C 2.231 178.301 176.094 -0.040 0.000 1.051 93 V CA 2.042 64.317 62.300 -0.041 0.000 1.036 93 V CB -0.504 31.288 31.823 -0.052 0.000 0.654 93 V HN 0.453 nan 8.190 nan 0.000 0.451 94 S N 0.147 115.820 115.700 -0.045 0.000 2.584 94 S HA -0.076 4.403 4.470 0.015 0.000 0.240 94 S C 1.227 175.813 174.600 -0.023 0.000 0.975 94 S CA 0.596 58.775 58.200 -0.035 0.000 0.949 94 S CB -0.591 62.589 63.200 -0.034 0.000 0.761 94 S HN 0.603 nan 8.310 nan 0.000 0.536 95 N N 1.166 119.854 118.700 -0.021 0.000 2.389 95 N HA 0.391 5.140 4.740 0.015 0.000 0.260 95 N C -1.099 174.403 175.510 -0.013 0.000 1.191 95 N CA 0.048 53.089 53.050 -0.015 0.000 0.885 95 N CB 0.670 39.149 38.487 -0.015 0.000 1.162 95 N HN 0.374 nan 8.380 nan 0.000 0.512 96 L N -0.047 121.168 121.223 -0.013 0.000 3.138 96 L HA 0.203 4.552 4.340 0.015 0.000 0.248 96 L C -2.135 174.728 176.870 -0.012 0.000 0.954 96 L CA -0.930 53.904 54.840 -0.011 0.000 1.147 96 L CB 1.421 43.474 42.059 -0.011 0.000 1.648 96 L HN -0.051 nan 8.230 nan 0.000 0.567 97 P HA -0.350 nan 4.420 nan 0.000 0.253 97 P C 1.276 178.567 177.300 -0.015 0.000 0.953 97 P CA 2.686 65.779 63.100 -0.012 0.000 1.112 97 P CB -0.384 31.310 31.700 -0.010 0.000 0.750 98 T N -4.122 110.423 114.554 -0.015 0.000 8.228 98 T HA -0.315 4.044 4.350 0.015 0.000 0.287 98 T C 1.103 175.790 174.700 -0.022 0.000 1.560 98 T CA 2.912 65.001 62.100 -0.018 0.000 1.794 98 T CB -1.837 67.022 68.868 -0.015 0.000 2.097 98 T HN 1.043 nan 8.240 nan 0.000 0.780 99 G N -0.273 108.514 108.800 -0.022 0.000 2.600 99 G HA2 0.589 4.558 3.960 0.015 0.000 0.103 99 G HA3 0.589 4.558 3.960 0.015 0.000 0.103 99 G C 0.176 175.061 174.900 -0.025 0.000 1.090 99 G CA 0.539 45.624 45.100 -0.026 0.000 1.090 99 G HN 1.536 nan 8.290 nan 0.000 0.500 100 G N -0.711 108.074 108.800 -0.025 0.000 3.364 100 G HA2 0.378 4.347 3.960 0.015 0.000 0.137 100 G HA3 0.378 4.347 3.960 0.015 0.000 0.137 100 G C -1.062 173.823 174.900 -0.024 0.000 1.298 100 G CA 0.940 46.025 45.100 -0.026 0.000 1.341 100 G HN 0.742 nan 8.290 nan 0.000 0.718 101 D N 2.017 122.408 120.400 -0.015 0.000 2.382 101 D HA 0.270 4.919 4.640 0.015 0.000 0.259 101 D C 1.885 178.178 176.300 -0.012 0.000 1.224 101 D CA 0.710 54.705 54.000 -0.008 0.000 0.894 101 D CB 1.415 42.213 40.800 -0.003 0.000 1.127 101 D HN 0.304 nan 8.370 nan 0.000 0.487 102 T N 0.797 115.344 114.554 -0.012 0.000 3.085 102 T HA 0.214 4.573 4.350 0.015 0.000 0.263 102 T C 1.339 176.043 174.700 0.005 0.000 1.127 102 T CA 0.625 62.717 62.100 -0.014 0.000 1.103 102 T CB 0.348 69.203 68.868 -0.022 0.000 0.921 102 T HN 0.521 nan 8.240 nan 0.000 0.510 103 G N 1.811 110.613 108.800 0.005 0.000 3.259 103 G HA2 -0.111 3.858 3.960 0.015 0.000 0.217 103 G HA3 -0.111 3.858 3.960 0.015 0.000 0.217 103 G C 0.449 175.349 174.900 0.000 0.000 0.993 103 G CA 0.355 45.458 45.100 0.004 0.000 0.836 103 G HN 0.589 nan 8.290 nan 0.000 0.514 104 D N 0.816 121.217 120.400 0.002 0.000 2.363 104 D HA 0.375 5.024 4.640 0.015 0.000 0.214 104 D C 1.751 178.056 176.300 0.008 0.000 1.093 104 D CA 0.516 54.516 54.000 0.000 0.000 0.837 104 D CB -0.314 40.484 40.800 -0.003 0.000 0.948 104 D HN 1.416 nan 8.370 nan 0.000 0.507 105 G N 0.771 109.578 108.800 0.012 0.000 2.166 105 G HA2 -0.322 3.647 3.960 0.015 0.000 0.260 105 G HA3 -0.322 3.647 3.960 0.015 0.000 0.260 105 G C 0.615 175.534 174.900 0.032 0.000 0.986 105 G CA 0.687 45.798 45.100 0.017 0.000 0.683 105 G HN 0.518 nan 8.290 nan 0.000 0.527 106 I N -1.401 119.195 120.570 0.043 0.000 4.738 106 I HA 0.147 4.326 4.170 0.015 0.000 0.315 106 I C 0.234 176.431 176.117 0.133 0.000 1.214 106 I CA 0.715 62.068 61.300 0.089 0.000 1.337 106 I CB 0.762 38.804 38.000 0.069 0.000 1.433 106 I HN 0.036 nan 8.210 nan 0.000 0.472 107 T N 5.055 119.669 114.554 0.100 0.000 2.723 107 T HA 0.388 4.747 4.350 0.015 0.000 0.297 107 T C 0.022 174.749 174.700 0.044 0.000 0.925 107 T CA -0.073 62.101 62.100 0.123 0.000 1.030 107 T CB 0.516 69.443 68.868 0.098 0.000 0.905 107 T HN 0.040 nan 8.240 nan 0.000 0.502 108 M N 3.383 122.992 119.600 0.016 0.000 2.537 108 M HA 0.586 5.075 4.480 0.015 0.000 0.324 108 M C -0.331 175.942 176.300 -0.045 0.000 1.187 108 M CA -1.015 54.270 55.300 -0.025 0.000 0.993 108 M CB 1.647 34.219 32.600 -0.047 0.000 1.666 108 M HN 0.567 nan 8.290 nan 0.000 0.461 109 M N 0.755 120.325 119.600 -0.050 0.000 2.263 109 M HA 0.613 5.102 4.480 0.015 0.000 0.295 109 M C -0.117 176.156 176.300 -0.046 0.000 1.028 109 M CA -0.237 55.029 55.300 -0.058 0.000 0.921 109 M CB 1.961 34.516 32.600 -0.075 0.000 1.601 109 M HN 0.799 nan 8.290 nan 0.000 0.440 110 G N 2.488 111.264 108.800 -0.041 0.000 2.651 110 G HA2 0.094 4.063 3.960 0.015 0.000 0.260 110 G HA3 0.094 4.063 3.960 0.015 0.000 0.260 110 G C -0.517 174.370 174.900 -0.023 0.000 1.216 110 G CA -0.609 44.472 45.100 -0.030 0.000 0.913 110 G HN 0.858 nan 8.290 nan 0.000 0.535 111 N N -0.537 118.154 118.700 -0.016 0.000 2.447 111 N HA 0.354 5.103 4.740 0.015 0.000 0.263 111 N C 1.370 176.877 175.510 -0.004 0.000 1.226 111 N CA 1.503 54.546 53.050 -0.012 0.000 0.906 111 N CB 0.429 38.910 38.487 -0.008 0.000 1.060 111 N HN 1.102 nan 8.380 nan 0.000 0.468 112 G N 1.977 110.773 108.800 -0.007 0.000 2.184 112 G HA2 -0.286 3.683 3.960 0.015 0.000 0.264 112 G HA3 -0.286 3.683 3.960 0.015 0.000 0.264 112 G C 1.046 175.945 174.900 -0.002 0.000 0.975 112 G CA 0.539 45.637 45.100 -0.003 0.000 0.642 112 G HN 0.889 nan 8.290 nan 0.000 0.536 113 G N 0.212 109.006 108.800 -0.010 0.000 2.479 113 G HA2 0.021 3.990 3.960 0.015 0.000 0.220 113 G HA3 0.021 3.990 3.960 0.015 0.000 0.220 113 G C 1.678 176.565 174.900 -0.022 0.000 1.115 113 G CA 1.527 46.618 45.100 -0.015 0.000 0.757 113 G HN 0.985 nan 8.290 nan 0.000 0.560 114 L N 0.762 121.974 121.223 -0.019 0.000 2.127 114 L HA -0.059 4.290 4.340 0.015 0.000 0.211 114 L C 2.535 179.432 176.870 0.044 0.000 1.089 114 L CA 2.417 57.264 54.840 0.011 0.000 0.757 114 L CB -0.487 41.589 42.059 0.028 0.000 0.899 114 L HN 0.456 nan 8.230 nan 0.000 0.434 115 E N -0.331 119.879 120.200 0.016 0.000 2.085 115 E HA -0.257 4.102 4.350 0.015 0.000 0.194 115 E C 2.150 178.755 176.600 0.008 0.000 0.994 115 E CA 2.038 58.440 56.400 0.004 0.000 0.801 115 E CB -0.200 29.488 29.700 -0.021 0.000 0.743 115 E HN 0.680 nan 8.360 nan 0.000 0.453 116 I N 0.624 121.200 120.570 0.010 0.000 2.286 116 I HA -0.164 4.016 4.170 0.015 0.000 0.245 116 I C 2.671 178.826 176.117 0.064 0.000 1.104 116 I CA 0.757 62.074 61.300 0.029 0.000 1.397 116 I CB -0.459 37.557 38.000 0.027 0.000 1.072 116 I HN 0.117 nan 8.210 nan 0.000 0.417 117 A N 1.419 124.269 122.820 0.050 0.000 1.917 117 A HA -0.232 4.097 4.320 0.015 0.000 0.219 117 A C 2.454 180.184 177.584 0.242 0.000 1.182 117 A CA 1.708 53.802 52.037 0.095 0.000 0.633 117 A CB -0.646 18.323 19.000 -0.052 0.000 0.819 117 A HN 0.332 nan 8.150 nan 0.000 0.448 118 R N -0.838 119.786 120.500 0.207 0.000 2.081 118 R HA -0.043 4.306 4.340 0.015 0.000 0.235 118 R C 2.062 178.404 176.300 0.071 0.000 1.131 118 R CA 1.485 57.659 56.100 0.124 0.000 0.960 118 R CB -0.495 29.841 30.300 0.059 0.000 0.856 118 R HN 0.518 nan 8.270 nan 0.000 0.436 119 L N -0.013 121.254 121.223 0.073 0.000 2.141 119 L HA -0.135 4.214 4.340 0.015 0.000 0.209 119 L C 2.625 179.615 176.870 0.199 0.000 1.094 119 L CA 0.836 55.725 54.840 0.082 0.000 0.763 119 L CB -0.294 41.779 42.059 0.023 0.000 0.908 119 L HN 0.200 nan 8.230 nan 0.000 0.437 120 S N -0.264 115.526 115.700 0.151 0.000 2.345 120 S HA -0.146 4.333 4.470 0.015 0.000 0.220 120 S C 2.166 176.744 174.600 -0.037 0.000 1.031 120 S CA 1.236 59.381 58.200 -0.092 0.000 0.996 120 S CB -0.075 63.022 63.200 -0.171 0.000 0.882 120 S HN 0.425 nan 8.310 nan 0.000 0.445 121 A N 0.781 123.629 122.820 0.047 0.000 1.902 121 A HA 0.101 4.430 4.320 0.015 0.000 0.217 121 A C 2.328 179.909 177.584 -0.005 0.000 1.181 121 A CA 1.853 53.919 52.037 0.049 0.000 0.623 121 A CB -1.597 17.463 19.000 0.100 0.000 0.818 121 A HN 0.640 nan 8.150 nan 0.000 0.443 122 G N -0.846 107.949 108.800 -0.008 0.000 2.443 122 G HA2 0.088 4.057 3.960 0.015 0.000 0.219 122 G HA3 0.088 4.057 3.960 0.015 0.000 0.219 122 G C 1.426 176.296 174.900 -0.051 0.000 1.131 122 G CA 1.199 46.269 45.100 -0.050 0.000 0.775 122 G HN 0.690 nan 8.290 nan 0.000 0.547 123 G N 1.162 109.965 108.800 0.004 0.000 2.421 123 G HA2 0.048 4.017 3.960 0.015 0.000 0.216 123 G HA3 0.048 4.017 3.960 0.015 0.000 0.216 123 G C 2.042 176.922 174.900 -0.033 0.000 1.171 123 G CA 1.454 46.564 45.100 0.018 0.000 0.775 123 G HN 0.573 nan 8.290 nan 0.000 0.543 124 A N 0.077 122.868 122.820 -0.049 0.000 1.902 124 A HA 0.082 4.411 4.320 0.015 0.000 0.217 124 A C 2.616 180.149 177.584 -0.085 0.000 1.181 124 A CA 1.839 53.838 52.037 -0.062 0.000 0.623 124 A CB -0.647 18.320 19.000 -0.053 0.000 0.818 124 A HN 0.252 nan 8.150 nan 0.000 0.443 125 V N 0.050 119.890 119.914 -0.124 0.000 2.261 125 V HA -0.218 3.911 4.120 0.015 0.000 0.246 125 V C 2.658 178.564 176.094 -0.313 0.000 1.047 125 V CA 2.179 64.320 62.300 -0.264 0.000 1.015 125 V CB -0.706 30.912 31.823 -0.342 0.000 0.642 125 V HN 0.498 nan 8.190 nan 0.000 0.446 126 E N -0.162 119.909 120.200 -0.215 0.000 2.085 126 E HA -0.224 4.135 4.350 0.015 0.000 0.194 126 E C 2.085 178.633 176.600 -0.087 0.000 0.994 126 E CA 1.283 57.590 56.400 -0.154 0.000 0.801 126 E CB -0.493 29.150 29.700 -0.096 0.000 0.743 126 E HN 0.434 nan 8.360 nan 0.000 0.453 127 L N 0.863 122.051 121.223 -0.058 0.000 2.046 127 L HA -0.131 4.218 4.340 0.015 0.000 0.208 127 L C 2.174 179.042 176.870 -0.003 0.000 1.077 127 L CA 1.936 56.769 54.840 -0.011 0.000 0.747 127 L CB -0.992 41.071 42.059 0.007 0.000 0.896 127 L HN 0.044 nan 8.230 nan 0.000 0.432 128 T N -0.376 114.161 114.554 -0.028 0.000 2.746 128 T HA -0.226 4.133 4.350 0.015 0.000 0.267 128 T C 1.983 176.712 174.700 0.048 0.000 1.039 128 T CA 1.643 63.748 62.100 0.008 0.000 1.142 128 T CB -0.269 68.605 68.868 0.010 0.000 0.866 128 T HN 0.353 nan 8.240 nan 0.000 0.444 129 R N 0.962 121.467 120.500 0.010 0.000 2.083 129 R HA -0.084 4.265 4.340 0.015 0.000 0.237 129 R C 2.547 178.892 176.300 0.076 0.000 1.137 129 R CA 1.471 57.634 56.100 0.104 0.000 0.951 129 R CB -0.075 30.238 30.300 0.020 0.000 0.851 129 R HN 0.332 nan 8.270 nan 0.000 0.434 130 R N -0.262 120.262 120.500 0.039 0.000 2.115 130 R HA -0.042 4.307 4.340 0.015 0.000 0.230 130 R C 2.289 178.620 176.300 0.052 0.000 1.111 130 R CA 1.209 57.335 56.100 0.044 0.000 0.976 130 R CB -0.186 30.135 30.300 0.035 0.000 0.870 130 R HN 0.133 nan 8.270 nan 0.000 0.445 131 V N 1.240 121.187 119.914 0.055 0.000 2.343 131 V HA -0.229 3.900 4.120 0.015 0.000 0.247 131 V C 2.462 178.589 176.094 0.055 0.000 1.051 131 V CA 2.012 64.348 62.300 0.060 0.000 1.036 131 V CB -0.602 31.259 31.823 0.063 0.000 0.654 131 V HN 0.382 nan 8.190 nan 0.000 0.451 132 A N 0.676 123.532 122.820 0.060 0.000 1.930 132 A HA -0.192 4.137 4.320 0.015 0.000 0.217 132 A C 2.452 180.065 177.584 0.049 0.000 1.175 132 A CA 2.188 54.258 52.037 0.056 0.000 0.627 132 A CB -0.921 18.125 19.000 0.076 0.000 0.815 132 A HN 0.630 nan 8.150 nan 0.000 0.443 133 T N -3.876 110.711 114.554 0.054 0.000 3.007 133 T HA 0.280 4.639 4.350 0.015 0.000 0.270 133 T C 1.569 176.291 174.700 0.037 0.000 1.107 133 T CA 1.356 63.483 62.100 0.044 0.000 1.118 133 T CB -0.352 68.544 68.868 0.046 0.000 0.889 133 T HN 1.728 nan 8.240 nan 0.000 0.506 134 G N 1.050 109.874 108.800 0.040 0.000 2.175 134 G HA2 -0.318 3.651 3.960 0.015 0.000 0.244 134 G HA3 -0.318 3.651 3.960 0.015 0.000 0.244 134 G C 0.591 175.515 174.900 0.040 0.000 0.982 134 G CA 0.646 45.769 45.100 0.038 0.000 0.641 134 G HN 0.623 nan 8.290 nan 0.000 0.527 135 E N -0.390 119.835 120.200 0.041 0.000 2.077 135 E HA 0.021 4.380 4.350 0.015 0.000 0.193 135 E C 0.950 177.578 176.600 0.048 0.000 0.989 135 E CA 0.745 57.170 56.400 0.041 0.000 0.800 135 E CB -0.064 29.659 29.700 0.039 0.000 0.746 135 E HN 0.615 nan 8.360 nan 0.000 0.452 136 L N 0.374 121.630 121.223 0.055 0.000 2.342 136 L HA 0.196 4.545 4.340 0.015 0.000 0.271 136 L C 1.297 178.209 176.870 0.070 0.000 1.008 136 L CA -0.362 54.518 54.840 0.067 0.000 0.818 136 L CB 1.918 44.023 42.059 0.077 0.000 1.296 136 L HN 0.006 nan 8.230 nan 0.000 0.427 137 S N 0.886 116.632 115.700 0.078 0.000 2.414 137 S HA 0.336 4.815 4.470 0.015 0.000 0.227 137 S C 0.585 175.245 174.600 0.100 0.000 1.022 137 S CA 0.445 58.693 58.200 0.081 0.000 0.958 137 S CB 0.199 63.447 63.200 0.079 0.000 0.797 137 S HN 0.801 nan 8.310 nan 0.000 0.493 138 A N -0.992 121.900 122.820 0.120 0.000 2.483 138 A HA 0.785 5.114 4.320 0.015 0.000 0.294 138 A C -0.265 177.428 177.584 0.181 0.000 1.077 138 A CA -0.403 51.730 52.037 0.160 0.000 0.633 138 A CB 0.491 19.612 19.000 0.201 0.000 1.318 138 A HN 1.326 nan 8.150 nan 0.000 0.455 139 G N -1.927 107.017 108.800 0.240 0.000 2.495 139 G HA2 0.572 4.541 3.960 0.015 0.000 0.294 139 G HA3 0.572 4.541 3.960 0.015 0.000 0.294 139 G C -2.292 172.817 174.900 0.348 0.000 1.397 139 G CA -0.286 44.971 45.100 0.261 0.000 0.790 139 G HN 1.555 nan 8.290 nan 0.000 0.486 140 Y N 0.484 120.926 120.300 0.236 0.000 2.329 140 Y HA 0.607 5.166 4.550 0.014 0.000 0.328 140 Y C 0.013 176.000 175.900 0.144 0.000 0.992 140 Y CA -0.631 57.621 58.100 0.254 0.000 1.151 140 Y CB 1.942 40.565 38.460 0.272 0.000 1.150 140 Y HN 0.839 nan 8.280 nan 0.000 0.450 141 A N 6.207 129.058 122.820 0.051 0.000 2.280 141 A HA 0.422 4.751 4.320 0.015 0.000 0.320 141 A C -1.204 176.448 177.584 0.112 0.000 1.366 141 A CA -0.589 51.473 52.037 0.041 0.000 0.938 141 A CB 0.224 19.202 19.000 -0.038 0.000 1.157 141 A HN 0.686 nan 8.150 nan 0.000 0.536 142 L N 5.652 127.002 121.223 0.211 0.000 2.480 142 L HA 0.334 4.683 4.340 0.015 0.000 0.243 142 L C 0.269 177.228 176.870 0.148 0.000 1.315 142 L CA -0.040 54.990 54.840 0.317 0.000 1.231 142 L CB -0.449 41.739 42.059 0.216 0.000 1.444 142 L HN 0.551 nan 8.230 nan 0.000 0.409 143 V N 0.871 120.680 119.914 -0.174 0.000 3.036 143 V HA 0.598 4.727 4.120 0.015 0.000 0.308 143 V C -0.093 175.654 176.094 -0.578 0.000 1.070 143 V CA -0.714 61.085 62.300 -0.836 0.000 1.056 143 V CB 1.595 33.056 31.823 -0.603 0.000 1.084 143 V HN 0.773 nan 8.190 nan 0.000 0.471 144 N N 1.781 119.979 118.700 -0.836 0.000 2.521 144 N HA 0.408 5.157 4.740 0.015 0.000 0.269 144 N C -3.276 172.087 175.510 -0.245 0.000 1.079 144 N CA -1.024 51.848 53.050 -0.298 0.000 0.980 144 N CB 3.029 41.474 38.487 -0.071 0.000 1.667 144 N HN 0.598 nan 8.380 nan 0.000 0.498 145 P HA 0.311 nan 4.420 nan 0.000 0.274 145 P C -2.745 174.551 177.300 -0.007 0.000 1.246 145 P CA -0.902 62.187 63.100 -0.018 0.000 0.795 145 P CB 0.338 32.044 31.700 0.010 0.000 1.006 146 P HA 0.116 nan 4.420 nan 0.000 0.277 146 P C 0.470 177.840 177.300 0.117 0.000 1.276 146 P CA 0.163 63.317 63.100 0.091 0.000 0.788 146 P CB 0.415 32.223 31.700 0.180 0.000 1.114 147 G N -1.367 107.507 108.800 0.123 0.000 2.659 147 G HA2 -0.039 3.930 3.960 0.015 0.000 0.197 147 G HA3 -0.039 3.930 3.960 0.015 0.000 0.197 147 G C 1.168 176.180 174.900 0.186 0.000 1.099 147 G CA 0.395 45.588 45.100 0.155 0.000 0.759 147 G HN 0.728 nan 8.290 nan 0.000 0.715 148 H N -1.281 117.760 119.070 -0.048 0.000 2.491 148 H HA 0.101 4.666 4.556 0.015 0.000 0.290 148 H C 1.872 177.124 175.328 -0.128 0.000 1.050 148 H CA 1.021 57.005 56.048 -0.106 0.000 1.309 148 H CB -0.134 29.536 29.762 -0.153 0.000 1.392 148 H HN 0.287 nan 8.280 nan 0.000 0.554 149 H N 0.937 119.950 119.070 -0.096 0.000 2.548 149 H HA 0.321 4.886 4.556 0.015 0.000 0.268 149 H C 0.723 176.001 175.328 -0.083 0.000 0.975 149 H CA 0.540 56.481 56.048 -0.178 0.000 1.195 149 H CB -0.026 29.682 29.762 -0.090 0.000 1.397 149 H HN 0.518 nan 8.280 nan 0.000 0.572 150 A N 4.181 127.067 122.820 0.110 0.000 2.395 150 A HA 0.258 4.587 4.320 0.015 0.000 0.286 150 A C -1.941 175.694 177.584 0.085 0.000 1.193 150 A CA -1.143 50.945 52.037 0.085 0.000 0.852 150 A CB 0.359 19.450 19.000 0.150 0.000 1.118 150 A HN 0.078 nan 8.150 nan 0.000 0.524 151 P HA 0.084 nan 4.420 nan 0.000 0.302 151 P C 0.586 177.882 177.300 -0.007 0.000 1.307 151 P CA -0.156 62.920 63.100 -0.039 0.000 0.754 151 P CB 0.578 32.231 31.700 -0.078 0.000 1.298 152 H N -0.282 118.702 119.070 -0.143 0.000 2.353 152 H HA -0.122 4.443 4.556 0.015 0.000 0.298 152 H C 1.290 176.635 175.328 0.029 0.000 1.103 152 H CA 2.209 58.178 56.048 -0.132 0.000 1.293 152 H CB -0.176 29.491 29.762 -0.157 0.000 1.372 152 H HN 0.359 nan 8.280 nan 0.000 0.501 153 N N -0.272 118.387 118.700 -0.068 0.000 2.338 153 N HA 0.339 5.088 4.740 0.015 0.000 0.251 153 N C -1.214 174.187 175.510 -0.182 0.000 1.199 153 N CA 0.450 53.440 53.050 -0.100 0.000 0.879 153 N CB 0.437 38.926 38.487 0.004 0.000 1.159 153 N HN 0.370 nan 8.380 nan 0.000 0.514 154 A N -0.124 122.416 122.820 -0.467 0.000 2.597 154 A HA 0.695 5.024 4.320 0.015 0.000 0.292 154 A C -1.513 175.731 177.584 -0.567 0.000 1.057 154 A CA -0.579 51.211 52.037 -0.411 0.000 0.674 154 A CB 0.852 19.758 19.000 -0.157 0.000 1.278 154 A HN 0.148 nan 8.150 nan 0.000 0.416 155 A N 0.810 123.533 122.820 -0.162 0.000 2.295 155 A HA 0.916 5.245 4.320 0.015 0.000 0.318 155 A C -0.242 177.325 177.584 -0.028 0.000 1.134 155 A CA -0.159 51.854 52.037 -0.040 0.000 0.827 155 A CB 0.913 19.944 19.000 0.051 0.000 1.136 155 A HN 1.920 nan 8.150 nan 0.000 0.493 156 M N 1.301 120.907 119.600 0.009 0.000 2.449 156 M HA 0.476 4.965 4.480 0.015 0.000 0.291 156 M C 0.241 176.574 176.300 0.055 0.000 1.148 156 M CA 0.798 56.106 55.300 0.012 0.000 0.925 156 M CB 1.584 34.172 32.600 -0.021 0.000 1.767 156 M HN 2.103 nan 8.290 nan 0.000 0.503 157 G N 3.367 112.130 108.800 -0.062 0.000 2.356 157 G HA2 -0.275 3.694 3.960 0.015 0.000 0.296 157 G HA3 -0.275 3.694 3.960 0.015 0.000 0.296 157 G C 0.116 174.855 174.900 -0.268 0.000 1.022 157 G CA 0.856 45.756 45.100 -0.333 0.000 0.961 157 G HN 1.279 nan 8.290 nan 0.000 0.510 158 F N -4.732 115.279 119.950 0.103 0.000 2.544 158 F HA -0.284 4.252 4.527 0.014 0.000 0.389 158 F C 1.274 177.124 175.800 0.083 0.000 0.588 158 F CA 0.043 58.095 58.000 0.087 0.000 1.461 158 F CB -2.001 37.082 39.000 0.138 0.000 1.995 158 F HN 0.512 nan 8.300 nan 0.000 0.282 159 C N 2.292 121.732 119.300 0.233 0.000 2.295 159 C HA 0.481 4.950 4.460 0.015 0.000 0.331 159 C C 1.817 176.829 174.990 0.035 0.000 1.280 159 C CA -0.806 58.304 59.018 0.154 0.000 1.746 159 C CB 0.559 28.414 27.740 0.191 0.000 2.328 159 C HN 0.240 nan 8.230 nan 0.000 0.521 160 I N 0.795 121.320 120.570 -0.076 0.000 2.512 160 I HA 0.245 4.424 4.170 0.015 0.000 0.247 160 I C 0.430 176.275 176.117 -0.453 0.000 1.094 160 I CA 1.084 62.182 61.300 -0.336 0.000 1.427 160 I CB -0.620 37.040 38.000 -0.567 0.000 1.149 160 I HN 0.474 nan 8.210 nan 0.000 0.438 161 F N 0.164 120.133 119.950 0.031 0.000 2.563 161 F HA 0.338 4.874 4.527 0.015 0.000 0.316 161 F C 0.535 176.458 175.800 0.206 0.000 1.076 161 F CA -0.961 57.046 58.000 0.013 0.000 0.921 161 F CB 1.289 40.290 39.000 0.001 0.000 1.209 161 F HN -0.170 nan 8.300 nan 0.000 0.462 162 N N 2.267 121.392 118.700 0.709 0.000 2.605 162 N HA 0.064 4.813 4.740 0.015 0.000 0.258 162 N C 0.761 176.445 175.510 0.290 0.000 1.156 162 N CA -0.149 53.135 53.050 0.389 0.000 1.008 162 N CB 0.105 38.748 38.487 0.260 0.000 1.354 162 N HN 0.478 nan 8.380 nan 0.000 0.509 163 N N 0.793 119.616 118.700 0.205 0.000 2.060 163 N HA -0.220 4.529 4.740 0.015 0.000 0.195 163 N C 1.651 177.216 175.510 0.092 0.000 1.028 163 N CA 2.104 55.228 53.050 0.122 0.000 0.861 163 N CB -0.561 37.951 38.487 0.041 0.000 1.029 163 N HN 0.647 nan 8.380 nan 0.000 0.428 164 T N -2.028 112.574 114.554 0.081 0.000 2.904 164 T HA 0.068 4.427 4.350 0.015 0.000 0.267 164 T C 2.139 176.924 174.700 0.142 0.000 1.059 164 T CA 1.153 63.285 62.100 0.052 0.000 1.137 164 T CB -0.336 68.532 68.868 -0.000 0.000 0.879 164 T HN 0.017 nan 8.240 nan 0.000 0.467 165 S N 1.118 116.969 115.700 0.252 0.000 2.387 165 S HA 0.012 4.492 4.470 0.015 0.000 0.226 165 S C 2.235 177.053 174.600 0.363 0.000 1.026 165 S CA 0.878 59.360 58.200 0.471 0.000 0.972 165 S CB -0.509 62.928 63.200 0.395 0.000 0.814 165 S HN 0.382 nan 8.310 nan 0.000 0.477 166 V N 2.248 122.293 119.914 0.217 0.000 2.343 166 V HA -0.217 3.913 4.120 0.015 0.000 0.247 166 V C 2.676 178.876 176.094 0.176 0.000 1.051 166 V CA 1.735 64.138 62.300 0.172 0.000 1.036 166 V CB -1.249 30.646 31.823 0.120 0.000 0.654 166 V HN 0.535 nan 8.190 nan 0.000 0.451 167 A N 0.033 122.929 122.820 0.128 0.000 1.877 167 A HA -0.140 4.189 4.320 0.015 0.000 0.216 167 A C 2.435 180.105 177.584 0.143 0.000 1.186 167 A CA 2.246 54.342 52.037 0.098 0.000 0.620 167 A CB -0.840 18.175 19.000 0.025 0.000 0.822 167 A HN 0.575 nan 8.150 nan 0.000 0.443 168 A N -0.542 122.349 122.820 0.117 0.000 1.877 168 A HA 0.139 4.468 4.320 0.015 0.000 0.216 168 A C 2.451 180.084 177.584 0.081 0.000 1.186 168 A CA 1.918 53.958 52.037 0.004 0.000 0.620 168 A CB -1.468 17.403 19.000 -0.215 0.000 0.822 168 A HN 0.782 nan 8.150 nan 0.000 0.443 169 G N -1.664 107.330 108.800 0.322 0.000 2.442 169 G HA2 -0.307 3.662 3.960 0.015 0.000 0.219 169 G HA3 -0.307 3.662 3.960 0.015 0.000 0.219 169 G C 1.545 176.571 174.900 0.210 0.000 1.141 169 G CA 1.348 46.668 45.100 0.366 0.000 0.763 169 G HN 0.604 nan 8.290 nan 0.000 0.554 170 Y N 1.874 122.225 120.300 0.086 0.000 2.114 170 Y HA 0.012 4.570 4.550 0.015 0.000 0.284 170 Y C 2.973 178.886 175.900 0.022 0.000 1.143 170 Y CA 1.670 59.796 58.100 0.043 0.000 1.135 170 Y CB -0.446 38.032 38.460 0.030 0.000 0.980 170 Y HN 0.246 nan 8.280 nan 0.000 0.499 171 A N 0.968 123.891 122.820 0.171 0.000 1.917 171 A HA -0.218 4.111 4.320 0.015 0.000 0.219 171 A C 2.308 179.858 177.584 -0.057 0.000 1.182 171 A CA 1.843 53.906 52.037 0.044 0.000 0.633 171 A CB -0.575 18.457 19.000 0.052 0.000 0.819 171 A HN 0.436 nan 8.150 nan 0.000 0.448 172 R N -0.702 119.774 120.500 -0.041 0.000 2.070 172 R HA -0.065 4.284 4.340 0.015 0.000 0.232 172 R C 2.448 178.710 176.300 -0.064 0.000 1.138 172 R CA 1.699 57.770 56.100 -0.048 0.000 0.936 172 R CB -1.088 29.205 30.300 -0.012 0.000 0.839 172 R HN 0.528 nan 8.270 nan 0.000 0.429 173 A N 0.024 122.803 122.820 -0.068 0.000 1.975 173 A HA 0.022 4.351 4.320 0.015 0.000 0.215 173 A C 2.320 179.805 177.584 -0.166 0.000 1.170 173 A CA 0.807 52.796 52.037 -0.080 0.000 0.656 173 A CB 0.009 18.990 19.000 -0.031 0.000 0.821 173 A HN 0.114 nan 8.150 nan 0.000 0.449 174 V N -0.426 119.289 119.914 -0.332 0.000 2.672 174 V HA 0.023 4.152 4.120 0.015 0.000 0.242 174 V C 2.118 178.005 176.094 -0.344 0.000 1.059 174 V CA 1.076 63.105 62.300 -0.450 0.000 1.081 174 V CB -0.510 30.716 31.823 -0.996 0.000 0.752 174 V HN 0.481 nan 8.190 nan 0.000 0.472 175 L N 0.842 121.866 121.223 -0.331 0.000 2.558 175 L HA 0.324 4.673 4.340 0.015 0.000 0.225 175 L C 1.740 178.549 176.870 -0.101 0.000 1.128 175 L CA 0.824 55.569 54.840 -0.159 0.000 0.868 175 L CB -0.635 41.376 42.059 -0.080 0.000 1.006 175 L HN 0.561 nan 8.230 nan 0.000 0.454 176 G N 0.856 109.591 108.800 -0.108 0.000 2.225 176 G HA2 -0.327 3.642 3.960 0.015 0.000 0.267 176 G HA3 -0.327 3.642 3.960 0.015 0.000 0.267 176 G C 0.281 175.142 174.900 -0.064 0.000 1.024 176 G CA 0.101 45.155 45.100 -0.076 0.000 0.784 176 G HN 0.285 nan 8.290 nan 0.000 0.507 177 M N -0.226 119.335 119.600 -0.066 0.000 2.228 177 M HA 0.252 4.741 4.480 0.015 0.000 0.351 177 M C 1.484 177.738 176.300 -0.076 0.000 1.233 177 M CA 0.207 55.468 55.300 -0.065 0.000 1.129 177 M CB 0.575 33.140 32.600 -0.058 0.000 1.604 177 M HN 0.287 nan 8.290 nan 0.000 0.457 178 E N 1.810 121.957 120.200 -0.088 0.000 2.170 178 E HA 0.015 4.375 4.350 0.015 0.000 0.191 178 E C -0.080 176.445 176.600 -0.127 0.000 0.981 178 E CA 0.835 57.173 56.400 -0.102 0.000 0.830 178 E CB 0.430 30.062 29.700 -0.114 0.000 0.775 178 E HN 0.521 nan 8.360 nan 0.000 0.470 179 R N 0.419 120.835 120.500 -0.140 0.000 2.574 179 R HA 0.474 4.823 4.340 0.015 0.000 0.288 179 R C -1.464 174.812 176.300 -0.040 0.000 1.004 179 R CA -0.459 55.560 56.100 -0.135 0.000 0.895 179 R CB 2.656 32.695 30.300 -0.435 0.000 1.191 179 R HN -0.155 nan 8.270 nan 0.000 0.444 180 V N 1.400 121.329 119.914 0.024 0.000 2.789 180 V HA 0.750 4.880 4.120 0.015 0.000 0.311 180 V C -0.592 175.502 176.094 0.001 0.000 1.073 180 V CA -0.910 61.371 62.300 -0.031 0.000 0.921 180 V CB 2.009 33.727 31.823 -0.175 0.000 1.009 180 V HN 0.912 nan 8.190 nan 0.000 0.426 181 A N 4.738 127.544 122.820 -0.023 0.000 2.337 181 A HA 0.924 5.253 4.320 0.015 0.000 0.329 181 A C -0.845 176.645 177.584 -0.157 0.000 1.146 181 A CA -0.548 51.421 52.037 -0.114 0.000 0.800 181 A CB 0.850 19.824 19.000 -0.043 0.000 1.220 181 A HN 0.762 nan 8.150 nan 0.000 0.472 182 I N 2.738 123.203 120.570 -0.174 0.000 2.382 182 I HA 0.261 4.440 4.170 0.015 0.000 0.285 182 I C -0.901 175.146 176.117 -0.117 0.000 1.007 182 I CA -0.595 60.615 61.300 -0.150 0.000 1.142 182 I CB 1.588 39.524 38.000 -0.106 0.000 1.289 182 I HN 0.538 nan 8.210 nan 0.000 0.453 183 L N 6.913 128.038 121.223 -0.164 0.000 2.265 183 L HA 0.495 4.844 4.340 0.015 0.000 0.289 183 L C -0.661 176.094 176.870 -0.192 0.000 1.033 183 L CA 0.201 54.968 54.840 -0.122 0.000 0.814 183 L CB 0.988 42.981 42.059 -0.110 0.000 1.203 183 L HN 0.437 nan 8.230 nan 0.000 0.423 184 D N 4.711 125.089 120.400 -0.037 0.000 2.441 184 D HA 0.210 4.859 4.640 0.015 0.000 0.231 184 D C -0.360 176.038 176.300 0.163 0.000 1.073 184 D CA -0.467 53.515 54.000 -0.031 0.000 0.850 184 D CB 0.631 41.490 40.800 0.097 0.000 1.062 184 D HN 0.603 nan 8.370 nan 0.000 0.524 185 W N 3.560 124.920 121.300 0.100 0.000 2.991 185 W HA 0.361 5.035 4.660 0.024 0.000 0.391 185 W C 0.039 176.659 176.519 0.169 0.000 1.054 185 W CA -1.004 56.462 57.345 0.202 0.000 1.856 185 W CB -0.790 28.827 29.460 0.262 0.000 1.132 185 W HN 0.128 nan 8.180 nan 0.000 0.601 186 D N 1.490 122.047 120.400 0.260 0.000 2.472 186 D HA -0.137 4.512 4.640 0.015 0.000 0.237 186 D C 1.272 177.758 176.300 0.311 0.000 1.141 186 D CA 0.395 54.492 54.000 0.163 0.000 0.875 186 D CB 2.239 42.914 40.800 -0.209 0.000 1.192 186 D HN 0.061 nan 8.370 nan 0.000 0.450 187 V N 3.948 123.993 119.914 0.219 0.000 2.913 187 V HA -0.143 3.987 4.120 0.015 0.000 0.260 187 V C 0.275 176.450 176.094 0.135 0.000 1.098 187 V CA 1.396 63.792 62.300 0.159 0.000 1.121 187 V CB -0.624 31.200 31.823 0.002 0.000 0.714 187 V HN 0.499 nan 8.190 nan 0.000 0.487 188 H N -0.729 118.657 119.070 0.526 0.000 2.502 188 H HA 0.369 4.934 4.556 0.017 0.000 0.338 188 H C 0.192 175.802 175.328 0.469 0.000 1.155 188 H CA -0.539 55.827 56.048 0.530 0.000 1.237 188 H CB 0.530 30.691 29.762 0.666 0.000 1.534 188 H HN 0.357 nan 8.280 nan 0.000 0.523 189 H N 1.503 120.671 119.070 0.163 0.000 2.929 189 H HA 0.020 4.585 4.556 0.015 0.000 0.317 189 H C 0.428 175.695 175.328 -0.102 0.000 1.031 189 H CA -0.387 55.489 56.048 -0.285 0.000 1.466 189 H CB 0.507 29.871 29.762 -0.664 0.000 1.482 189 H HN 0.955 nan 8.280 nan 0.000 0.561 190 G N 5.472 114.087 108.800 -0.308 0.000 3.197 190 G HA2 -0.152 3.817 3.960 0.015 0.000 0.257 190 G HA3 -0.152 3.817 3.960 0.015 0.000 0.257 190 G C 1.236 175.749 174.900 -0.645 0.000 0.835 190 G CA -0.230 44.638 45.100 -0.387 0.000 2.001 190 G HN 0.870 nan 8.290 nan 0.000 0.625 191 N N 1.081 119.259 118.700 -0.870 0.000 2.149 191 N HA -0.133 4.616 4.740 0.015 0.000 0.188 191 N C 2.074 177.440 175.510 -0.239 0.000 1.019 191 N CA 1.494 54.193 53.050 -0.585 0.000 0.857 191 N CB -0.547 37.740 38.487 -0.333 0.000 0.997 191 N HN 0.284 nan 8.380 nan 0.000 0.426 192 G N 0.514 109.210 108.800 -0.172 0.000 2.421 192 G HA2 -0.213 3.756 3.960 0.015 0.000 0.216 192 G HA3 -0.213 3.756 3.960 0.015 0.000 0.216 192 G C 1.516 176.397 174.900 -0.032 0.000 1.171 192 G CA 1.554 46.611 45.100 -0.070 0.000 0.775 192 G HN 0.426 nan 8.290 nan 0.000 0.543 193 T N 0.420 114.983 114.554 0.014 0.000 2.777 193 T HA -0.144 4.215 4.350 0.015 0.000 0.266 193 T C 2.276 177.105 174.700 0.215 0.000 1.040 193 T CA 1.556 63.745 62.100 0.149 0.000 1.141 193 T CB -0.260 68.715 68.868 0.177 0.000 0.868 193 T HN 0.479 nan 8.240 nan 0.000 0.444 194 Q N 1.068 120.957 119.800 0.148 0.000 2.061 194 Q HA -0.235 4.114 4.340 0.015 0.000 0.204 194 Q C 2.071 178.241 176.000 0.284 0.000 0.984 194 Q CA 2.211 58.175 55.803 0.269 0.000 0.846 194 Q CB -0.303 28.588 28.738 0.255 0.000 0.902 194 Q HN 0.541 nan 8.270 nan 0.000 0.421 195 D N -0.164 120.272 120.400 0.060 0.000 2.104 195 D HA -0.174 4.475 4.640 0.015 0.000 0.194 195 D C 1.863 178.152 176.300 -0.019 0.000 0.994 195 D CA 1.831 55.808 54.000 -0.038 0.000 0.830 195 D CB -0.171 40.555 40.800 -0.122 0.000 0.959 195 D HN 0.431 nan 8.370 nan 0.000 0.452 196 I N -0.862 119.622 120.570 -0.143 0.000 2.208 196 I HA -0.194 3.985 4.170 0.015 0.000 0.245 196 I C 1.181 176.960 176.117 -0.563 0.000 1.097 196 I CA 1.027 62.047 61.300 -0.466 0.000 1.363 196 I CB -0.262 37.289 38.000 -0.747 0.000 1.051 196 I HN 0.227 nan 8.210 nan 0.000 0.413 197 W N -0.503 120.854 121.300 0.096 0.000 3.239 197 W HA 0.102 4.771 4.660 0.015 0.000 0.368 197 W C 1.934 178.544 176.519 0.152 0.000 1.154 197 W CA -0.752 56.645 57.345 0.087 0.000 1.860 197 W CB -0.378 29.113 29.460 0.052 0.000 1.094 197 W HN 0.186 nan 8.180 nan 0.000 0.643 198 W N 1.825 123.189 121.300 0.108 0.000 2.304 198 W HA -0.308 4.361 4.660 0.014 0.000 0.315 198 W C 0.354 176.939 176.519 0.109 0.000 1.233 198 W CA 1.962 59.363 57.345 0.094 0.000 1.261 198 W CB -0.313 29.169 29.460 0.036 0.000 1.150 198 W HN -0.008 nan 8.180 nan 0.000 0.494 199 N N -0.249 118.562 118.700 0.184 0.000 2.270 199 N HA -0.035 4.714 4.740 0.015 0.000 0.198 199 N C -0.847 174.711 175.510 0.080 0.000 1.117 199 N CA 0.064 53.157 53.050 0.072 0.000 0.845 199 N CB 0.076 38.628 38.487 0.108 0.000 0.980 199 N HN -0.115 nan 8.380 nan 0.000 0.486 200 D N 0.329 120.814 120.400 0.141 0.000 2.462 200 D HA 0.154 4.803 4.640 0.015 0.000 0.245 200 D C -1.983 174.366 176.300 0.080 0.000 1.122 200 D CA -2.278 51.815 54.000 0.156 0.000 0.864 200 D CB 1.877 42.881 40.800 0.340 0.000 1.098 200 D HN -0.009 nan 8.370 nan 0.000 0.541 201 P HA -0.053 nan 4.420 nan 0.000 0.237 201 P C 0.949 178.111 177.300 -0.230 0.000 1.178 201 P CA 0.362 63.251 63.100 -0.352 0.000 0.766 201 P CB 0.236 31.593 31.700 -0.570 0.000 0.876 202 S N -1.455 114.195 115.700 -0.082 0.000 2.562 202 S HA 0.083 4.562 4.470 0.015 0.000 0.221 202 S C 0.688 175.246 174.600 -0.071 0.000 0.975 202 S CA -0.041 58.128 58.200 -0.051 0.000 0.918 202 S CB -0.556 62.610 63.200 -0.055 0.000 0.772 202 S HN -0.076 nan 8.310 nan 0.000 0.531 203 V N 2.476 122.290 119.914 -0.168 0.000 2.443 203 V HA 0.498 4.627 4.120 0.015 0.000 0.293 203 V C -0.729 175.180 176.094 -0.308 0.000 1.021 203 V CA -0.902 61.157 62.300 -0.401 0.000 0.848 203 V CB 1.517 32.636 31.823 -1.174 0.000 0.998 203 V HN 0.483 nan 8.190 nan 0.000 0.424 204 L N 6.168 127.095 121.223 -0.494 0.000 2.290 204 L HA 0.712 5.061 4.340 0.015 0.000 0.284 204 L C 0.480 177.179 176.870 -0.285 0.000 1.078 204 L CA 0.680 55.190 54.840 -0.549 0.000 0.815 204 L CB 1.428 42.795 42.059 -1.154 0.000 1.162 204 L HN 0.836 nan 8.230 nan 0.000 0.435 205 T N 3.770 118.255 114.554 -0.116 0.000 2.779 205 T HA 0.707 5.066 4.350 0.015 0.000 0.280 205 T C -0.219 174.494 174.700 0.023 0.000 0.987 205 T CA -0.474 61.620 62.100 -0.010 0.000 0.966 205 T CB 0.709 69.654 68.868 0.129 0.000 0.933 205 T HN 0.475 nan 8.240 nan 0.000 0.442 206 I N 2.368 122.956 120.570 0.029 0.000 2.465 206 I HA 0.529 4.708 4.170 0.015 0.000 0.291 206 I C -0.034 176.171 176.117 0.146 0.000 1.014 206 I CA -0.792 60.550 61.300 0.070 0.000 1.093 206 I CB 2.226 40.247 38.000 0.034 0.000 1.267 206 I HN 0.668 nan 8.210 nan 0.000 0.431 207 S N 6.554 122.395 115.700 0.235 0.000 2.605 207 S HA 0.641 5.120 4.470 0.015 0.000 0.308 207 S C -0.953 173.837 174.600 0.315 0.000 1.113 207 S CA -0.518 57.906 58.200 0.373 0.000 1.049 207 S CB 0.693 64.245 63.200 0.587 0.000 1.001 207 S HN 0.323 nan 8.310 nan 0.000 0.480 208 L N 6.042 127.434 121.223 0.281 0.000 2.289 208 L HA 0.641 4.990 4.340 0.015 0.000 0.285 208 L C -0.032 176.982 176.870 0.239 0.000 1.049 208 L CA 0.226 55.130 54.840 0.106 0.000 0.804 208 L CB 0.722 42.899 42.059 0.196 0.000 1.195 208 L HN 0.897 nan 8.230 nan 0.000 0.428 209 H N -0.476 118.705 119.070 0.186 0.000 3.014 209 H HA 0.398 4.964 4.556 0.016 0.000 0.337 209 H C -0.960 174.473 175.328 0.176 0.000 1.320 209 H CA -1.021 55.169 56.048 0.238 0.000 1.128 209 H CB 0.815 30.749 29.762 0.287 0.000 1.862 209 H HN 0.519 nan 8.280 nan 0.000 0.536 210 Q N 1.444 121.442 119.800 0.330 0.000 2.289 210 Q HA 0.039 4.388 4.340 0.015 0.000 0.273 210 Q C -0.561 175.632 176.000 0.321 0.000 1.029 210 Q CA -0.502 55.453 55.803 0.254 0.000 0.896 210 Q CB 0.347 29.219 28.738 0.224 0.000 1.182 210 Q HN 0.728 nan 8.270 nan 0.000 0.385 211 H N 5.555 124.700 119.070 0.125 0.000 3.107 211 H HA -0.037 4.528 4.556 0.015 0.000 0.301 211 H C 0.380 175.733 175.328 0.041 0.000 0.981 211 H CA 1.104 57.197 56.048 0.075 0.000 1.443 211 H CB -0.063 29.696 29.762 -0.004 0.000 1.479 211 H HN 0.832 nan 8.280 nan 0.000 0.564 212 L N 3.157 124.209 121.223 -0.285 0.000 4.232 212 L HA -0.410 3.939 4.340 0.015 0.000 0.415 212 L C 1.954 178.789 176.870 -0.057 0.000 1.168 212 L CA 0.702 55.349 54.840 -0.321 0.000 0.966 212 L CB -2.277 39.474 42.059 -0.513 0.000 2.052 212 L HN 0.662 nan 8.230 nan 0.000 0.887 213 C N -0.078 119.284 119.300 0.105 0.000 2.541 213 C HA 0.094 4.563 4.460 0.015 0.000 0.282 213 C C 0.956 176.147 174.990 0.336 0.000 1.263 213 C CA 1.340 60.505 59.018 0.244 0.000 1.709 213 C CB 0.029 27.981 27.740 0.354 0.000 2.097 213 C HN 0.492 nan 8.230 nan 0.000 0.480 214 F N 0.734 120.797 119.950 0.188 0.000 2.654 214 F HA 0.558 5.093 4.527 0.014 0.000 0.314 214 F C -2.804 173.007 175.800 0.017 0.000 1.116 214 F CA -1.860 56.137 58.000 -0.004 0.000 1.017 214 F CB 1.043 39.918 39.000 -0.207 0.000 1.285 214 F HN 0.000 nan 8.300 nan 0.000 0.448 215 P HA 0.327 nan 4.420 nan 0.000 0.276 215 P C -2.706 174.268 177.300 -0.544 0.000 1.261 215 P CA -1.235 61.032 63.100 -1.389 0.000 0.800 215 P CB 0.120 31.172 31.700 -1.080 0.000 1.066 216 P HA -0.000 nan 4.420 nan 0.000 0.272 216 P C -0.143 177.056 177.300 -0.170 0.000 1.230 216 P CA 0.510 63.493 63.100 -0.194 0.000 0.788 216 P CB -0.114 31.520 31.700 -0.111 0.000 0.949 217 D N -1.122 119.210 120.400 -0.114 0.000 2.686 217 D HA -0.174 4.475 4.640 0.015 0.000 0.235 217 D C -0.878 175.452 176.300 0.050 0.000 1.160 217 D CA 1.265 55.289 54.000 0.040 0.000 0.645 217 D CB -1.296 39.542 40.800 0.064 0.000 1.039 217 D HN 0.374 nan 8.370 nan 0.000 0.423 218 S N -1.181 114.412 115.700 -0.179 0.000 2.537 218 S HA 0.631 5.110 4.470 0.015 0.000 0.270 218 S C 0.681 174.992 174.600 -0.482 0.000 1.142 218 S CA 0.549 58.657 58.200 -0.153 0.000 0.870 218 S CB 1.562 64.726 63.200 -0.060 0.000 1.112 218 S HN 1.147 nan 8.310 nan 0.000 0.466 219 G N 1.612 109.967 108.800 -0.741 0.000 2.141 219 G HA2 -0.208 3.761 3.960 0.015 0.000 0.231 219 G HA3 -0.208 3.761 3.960 0.015 0.000 0.231 219 G C -0.261 174.521 174.900 -0.198 0.000 0.984 219 G CA 0.198 44.636 45.100 -1.102 0.000 0.660 219 G HN 0.703 nan 8.290 nan 0.000 0.525 220 Y N 1.342 121.641 120.300 -0.002 0.000 2.480 220 Y HA 0.286 4.845 4.550 0.016 0.000 0.338 220 Y C 2.165 178.095 175.900 0.049 0.000 1.220 220 Y CA 0.633 58.783 58.100 0.083 0.000 1.430 220 Y CB 0.798 39.311 38.460 0.087 0.000 1.311 220 Y HN 0.285 nan 8.280 nan 0.000 0.575 221 S N -1.326 114.477 115.700 0.172 0.000 2.469 221 S HA -0.182 4.297 4.470 0.015 0.000 0.238 221 S C 1.544 176.202 174.600 0.097 0.000 0.998 221 S CA 1.234 59.487 58.200 0.089 0.000 0.957 221 S CB -0.985 62.228 63.200 0.022 0.000 0.764 221 S HN 0.865 nan 8.310 nan 0.000 0.514 222 T N -0.463 114.173 114.554 0.137 0.000 3.118 222 T HA 0.116 4.475 4.350 0.015 0.000 0.260 222 T C 0.304 175.106 174.700 0.171 0.000 1.139 222 T CA 0.135 62.304 62.100 0.115 0.000 1.085 222 T CB -0.536 68.382 68.868 0.082 0.000 0.934 222 T HN 0.525 nan 8.240 nan 0.000 0.518 223 E N 1.477 121.821 120.200 0.241 0.000 2.003 223 E HA 0.293 4.652 4.350 0.015 0.000 0.279 223 E C 0.518 177.261 176.600 0.239 0.000 1.132 223 E CA -0.232 56.415 56.400 0.412 0.000 0.888 223 E CB 0.509 30.489 29.700 0.466 0.000 1.056 223 E HN 0.393 nan 8.360 nan 0.000 0.399 224 R N 2.291 122.771 120.500 -0.032 0.000 2.565 224 R HA 0.228 4.577 4.340 0.015 0.000 0.347 224 R C 0.436 176.348 176.300 -0.647 0.000 1.010 224 R CA -0.006 55.902 56.100 -0.320 0.000 1.126 224 R CB 1.172 31.222 30.300 -0.417 0.000 1.331 224 R HN 0.670 nan 8.270 nan 0.000 0.552 225 G N 0.922 108.962 108.800 -1.267 0.000 2.757 225 G HA2 0.052 4.021 3.960 0.015 0.000 0.638 225 G HA3 0.052 4.021 3.960 0.015 0.000 0.638 225 G C -1.039 173.087 174.900 -1.289 0.000 1.344 225 G CA -0.540 43.549 45.100 -1.684 0.000 0.855 225 G HN 0.383 nan 8.290 nan 0.000 0.537 226 A N -1.001 121.243 122.820 -0.961 0.000 2.587 226 A HA 1.218 5.547 4.320 0.015 0.000 0.293 226 A C 1.270 178.791 177.584 -0.104 0.000 1.087 226 A CA 1.352 53.197 52.037 -0.319 0.000 0.692 226 A CB 1.038 19.981 19.000 -0.094 0.000 1.291 226 A HN 3.133 nan 8.150 nan 0.000 0.407 227 G N 1.643 110.444 108.800 0.001 0.000 2.547 227 G HA2 -0.262 3.707 3.960 0.015 0.000 0.271 227 G HA3 -0.262 3.707 3.960 0.015 0.000 0.271 227 G C 0.734 175.665 174.900 0.053 0.000 1.209 227 G CA 0.930 46.044 45.100 0.025 0.000 0.959 227 G HN 2.025 nan 8.290 nan 0.000 0.563 228 N N 2.010 120.739 118.700 0.049 0.000 2.520 228 N HA 0.051 4.800 4.740 0.015 0.000 0.185 228 N C 1.977 177.548 175.510 0.103 0.000 1.068 228 N CA 2.242 55.333 53.050 0.068 0.000 0.911 228 N CB -0.869 37.637 38.487 0.032 0.000 0.961 228 N HN 1.268 nan 8.380 nan 0.000 0.446 229 G N -0.498 108.345 108.800 0.072 0.000 2.744 229 G HA2 -0.178 3.791 3.960 0.015 0.000 0.211 229 G HA3 -0.178 3.791 3.960 0.015 0.000 0.211 229 G C 0.393 175.348 174.900 0.091 0.000 1.143 229 G CA -0.197 44.953 45.100 0.084 0.000 0.788 229 G HN 0.495 nan 8.290 nan 0.000 0.534 230 H N 0.472 119.523 119.070 -0.032 0.000 3.004 230 H HA 0.266 4.831 4.556 0.015 0.000 0.316 230 H C 1.421 176.672 175.328 -0.128 0.000 1.014 230 H CA 1.365 57.335 56.048 -0.131 0.000 1.454 230 H CB 0.457 30.149 29.762 -0.116 0.000 1.472 230 H HN 0.271 nan 8.280 nan 0.000 0.571 231 G N 4.629 112.948 108.800 -0.803 0.000 2.176 231 G HA2 -0.285 3.685 3.960 0.015 0.000 0.232 231 G HA3 -0.285 3.685 3.960 0.015 0.000 0.232 231 G C 0.097 174.459 174.900 -0.896 0.000 0.986 231 G CA 0.337 44.970 45.100 -0.779 0.000 0.643 231 G HN 0.640 nan 8.290 nan 0.000 0.522 232 Y N 0.613 120.771 120.300 -0.237 0.000 2.660 232 Y HA 0.488 5.047 4.550 0.015 0.000 0.254 232 Y C 0.811 176.599 175.900 -0.186 0.000 1.176 232 Y CA -0.387 57.594 58.100 -0.199 0.000 1.195 232 Y CB 0.574 38.952 38.460 -0.138 0.000 1.190 232 Y HN 0.276 nan 8.280 nan 0.000 0.535 233 N N 0.913 119.532 118.700 -0.135 0.000 2.346 233 N HA 0.543 5.292 4.740 0.015 0.000 0.289 233 N C -1.633 173.849 175.510 -0.047 0.000 1.027 233 N CA -0.318 52.714 53.050 -0.031 0.000 0.864 233 N CB 1.031 39.548 38.487 0.051 0.000 1.370 233 N HN 0.067 nan 8.380 nan 0.000 0.481 234 I N 2.392 122.968 120.570 0.010 0.000 2.439 234 I HA 0.321 4.500 4.170 0.015 0.000 0.283 234 I C -0.557 175.616 176.117 0.094 0.000 1.023 234 I CA -0.635 60.671 61.300 0.009 0.000 1.100 234 I CB 1.441 39.421 38.000 -0.033 0.000 1.238 234 I HN 0.488 nan 8.210 nan 0.000 0.445 235 N N 4.958 123.729 118.700 0.117 0.000 2.456 235 N HA 0.489 5.238 4.740 0.015 0.000 0.288 235 N C -0.853 174.653 175.510 -0.007 0.000 1.059 235 N CA -0.585 52.566 53.050 0.169 0.000 0.946 235 N CB 2.328 40.957 38.487 0.236 0.000 1.150 235 N HN 0.209 nan 8.380 nan 0.000 0.479 236 V N 3.587 123.410 119.914 -0.153 0.000 2.260 236 V HA 0.276 4.405 4.120 0.015 0.000 0.263 236 V C -2.208 173.599 176.094 -0.478 0.000 1.036 236 V CA -1.484 60.675 62.300 -0.236 0.000 0.874 236 V CB 0.420 32.143 31.823 -0.166 0.000 1.116 236 V HN 0.612 nan 8.190 nan 0.000 0.454 237 P HA 0.311 nan 4.420 nan 0.000 0.276 237 P C -0.721 176.433 177.300 -0.244 0.000 1.243 237 P CA 0.134 63.007 63.100 -0.379 0.000 0.768 237 P CB 1.424 33.031 31.700 -0.156 0.000 0.856 238 L N 5.615 126.743 121.223 -0.158 0.000 2.342 238 L HA 0.535 4.884 4.340 0.015 0.000 0.271 238 L C -2.143 174.725 176.870 -0.004 0.000 1.008 238 L CA -2.896 51.870 54.840 -0.124 0.000 0.818 238 L CB 2.378 44.310 42.059 -0.211 0.000 1.296 238 L HN 0.171 nan 8.230 nan 0.000 0.427 239 P HA 0.186 nan 4.420 nan 0.000 0.272 239 P C -2.647 174.696 177.300 0.073 0.000 1.223 239 P CA -1.539 61.590 63.100 0.048 0.000 0.784 239 P CB -0.200 31.512 31.700 0.020 0.000 0.923 240 P HA 0.002 nan 4.420 nan 0.000 0.266 240 P C 1.136 178.479 177.300 0.072 0.000 1.193 240 P CA 1.474 64.630 63.100 0.092 0.000 0.770 240 P CB -0.158 31.592 31.700 0.085 0.000 0.836 241 G N 1.074 109.920 108.800 0.077 0.000 2.225 241 G HA2 -0.255 3.714 3.960 0.015 0.000 0.254 241 G HA3 -0.255 3.714 3.960 0.015 0.000 0.254 241 G C 0.346 175.283 174.900 0.062 0.000 0.988 241 G CA 0.089 45.223 45.100 0.056 0.000 0.625 241 G HN 0.595 nan 8.290 nan 0.000 0.527 242 S N 0.965 116.719 115.700 0.090 0.000 2.552 242 S HA 0.513 4.992 4.470 0.015 0.000 0.289 242 S C 1.023 175.728 174.600 0.175 0.000 1.304 242 S CA 0.548 58.816 58.200 0.113 0.000 1.063 242 S CB 1.390 64.652 63.200 0.102 0.000 0.848 242 S HN 1.298 nan 8.310 nan 0.000 0.499 243 G N 1.893 110.775 108.800 0.138 0.000 3.252 243 G HA2 0.254 4.223 3.960 0.015 0.000 0.181 243 G HA3 0.254 4.223 3.960 0.015 0.000 0.181 243 G C 0.528 175.495 174.900 0.111 0.000 1.187 243 G CA -0.525 44.624 45.100 0.081 0.000 0.886 243 G HN 0.529 nan 8.290 nan 0.000 0.615 244 N N 0.371 119.078 118.700 0.012 0.000 2.149 244 N HA -0.118 4.631 4.740 0.015 0.000 0.188 244 N C 2.303 177.866 175.510 0.089 0.000 1.019 244 N CA 1.454 54.503 53.050 -0.001 0.000 0.857 244 N CB -0.435 38.036 38.487 -0.027 0.000 0.997 244 N HN 0.447 nan 8.380 nan 0.000 0.426 245 A N 0.907 123.794 122.820 0.112 0.000 1.873 245 A HA 0.091 4.420 4.320 0.015 0.000 0.215 245 A C 2.380 180.140 177.584 0.292 0.000 1.186 245 A CA 1.830 53.994 52.037 0.210 0.000 0.616 245 A CB -0.876 18.208 19.000 0.139 0.000 0.823 245 A HN 0.303 nan 8.150 nan 0.000 0.442 246 A N -1.316 121.578 122.820 0.123 0.000 1.877 246 A HA -0.110 4.219 4.320 0.015 0.000 0.216 246 A C 2.116 179.709 177.584 0.016 0.000 1.186 246 A CA 1.633 53.685 52.037 0.025 0.000 0.620 246 A CB -0.923 18.058 19.000 -0.032 0.000 0.822 246 A HN 0.578 nan 8.150 nan 0.000 0.443 247 Y N -0.025 120.271 120.300 -0.006 0.000 2.181 247 Y HA -0.159 4.398 4.550 0.012 0.000 0.288 247 Y C 2.273 178.161 175.900 -0.020 0.000 1.146 247 Y CA 1.767 59.842 58.100 -0.041 0.000 1.164 247 Y CB -0.268 38.108 38.460 -0.140 0.000 0.982 247 Y HN 0.185 nan 8.280 nan 0.000 0.515 248 L N -1.519 119.783 121.223 0.133 0.000 2.109 248 L HA -0.215 4.134 4.340 0.015 0.000 0.207 248 L C 2.126 178.988 176.870 -0.013 0.000 1.086 248 L CA 1.153 56.014 54.840 0.034 0.000 0.760 248 L CB -0.593 41.456 42.059 -0.017 0.000 0.910 248 L HN 0.288 nan 8.230 nan 0.000 0.437 249 H N -0.212 118.855 119.070 -0.004 0.000 2.352 249 H HA -0.141 4.420 4.556 0.008 0.000 0.299 249 H C 2.303 177.614 175.328 -0.028 0.000 1.097 249 H CA 1.588 57.626 56.048 -0.017 0.000 1.311 249 H CB -0.166 29.579 29.762 -0.028 0.000 1.377 249 H HN 0.340 nan 8.280 nan 0.000 0.504 250 A N 0.649 123.510 122.820 0.068 0.000 1.933 250 A HA -0.199 4.130 4.320 0.015 0.000 0.218 250 A C 2.201 179.800 177.584 0.024 0.000 1.175 250 A CA 1.689 53.723 52.037 -0.005 0.000 0.628 250 A CB -0.369 18.565 19.000 -0.110 0.000 0.814 250 A HN 0.222 nan 8.150 nan 0.000 0.444 251 M N -0.220 119.407 119.600 0.045 0.000 2.067 251 M HA -0.137 4.352 4.480 0.015 0.000 0.260 251 M C 1.557 177.883 176.300 0.043 0.000 1.069 251 M CA 1.707 57.046 55.300 0.066 0.000 1.117 251 M CB -1.569 31.076 32.600 0.075 0.000 1.334 251 M HN 0.320 nan 8.290 nan 0.000 0.407 252 D N -0.263 120.145 120.400 0.013 0.000 2.149 252 D HA -0.111 4.538 4.640 0.015 0.000 0.201 252 D C 2.191 178.498 176.300 0.012 0.000 0.972 252 D CA 0.956 54.956 54.000 0.001 0.000 0.835 252 D CB -0.013 40.760 40.800 -0.044 0.000 0.966 252 D HN 0.300 nan 8.370 nan 0.000 0.476 253 Q N -0.517 119.294 119.800 0.019 0.000 2.376 253 Q HA 0.119 4.468 4.340 0.015 0.000 0.206 253 Q C 1.660 177.668 176.000 0.014 0.000 0.921 253 Q CA 0.314 56.130 55.803 0.021 0.000 0.911 253 Q CB 1.162 29.922 28.738 0.036 0.000 1.032 253 Q HN 0.220 nan 8.270 nan 0.000 0.510 254 V N -1.436 118.487 119.914 0.015 0.000 3.102 254 V HA 0.008 4.137 4.120 0.015 0.000 0.225 254 V C 1.979 178.085 176.094 0.020 0.000 1.301 254 V CA 0.393 62.697 62.300 0.007 0.000 1.308 254 V CB 0.085 31.902 31.823 -0.009 0.000 1.129 254 V HN -0.100 nan 8.190 nan 0.000 0.502 255 V N 0.872 120.809 119.914 0.038 0.000 2.270 255 V HA -0.205 3.924 4.120 0.015 0.000 0.245 255 V C 2.341 178.472 176.094 0.060 0.000 1.043 255 V CA 2.209 64.544 62.300 0.059 0.000 1.014 255 V CB -0.574 31.312 31.823 0.105 0.000 0.645 255 V HN 0.396 nan 8.190 nan 0.000 0.447 256 L N -0.112 121.149 121.223 0.063 0.000 2.017 256 L HA -0.100 4.249 4.340 0.015 0.000 0.208 256 L C 0.094 176.994 176.870 0.051 0.000 1.073 256 L CA 1.676 56.553 54.840 0.062 0.000 0.745 256 L CB -2.065 40.029 42.059 0.058 0.000 0.894 256 L HN 0.363 nan 8.230 nan 0.000 0.432 257 P HA -0.160 nan 4.420 nan 0.000 0.216 257 P C 1.504 178.829 177.300 0.041 0.000 1.150 257 P CA 1.783 64.903 63.100 0.034 0.000 0.837 257 P CB -0.008 31.705 31.700 0.022 0.000 0.786 258 A N -0.440 122.401 122.820 0.035 0.000 1.877 258 A HA -0.172 4.157 4.320 0.015 0.000 0.216 258 A C 2.257 179.890 177.584 0.081 0.000 1.186 258 A CA 1.532 53.590 52.037 0.035 0.000 0.620 258 A CB -1.689 17.312 19.000 0.002 0.000 0.822 258 A HN 0.105 nan 8.150 nan 0.000 0.443 259 L N -1.063 120.206 121.223 0.078 0.000 2.046 259 L HA -0.204 4.145 4.340 0.015 0.000 0.208 259 L C 2.884 179.829 176.870 0.125 0.000 1.077 259 L CA 1.588 56.495 54.840 0.112 0.000 0.747 259 L CB -0.467 41.640 42.059 0.081 0.000 0.896 259 L HN 0.352 nan 8.230 nan 0.000 0.432 260 R N -0.272 120.279 120.500 0.086 0.000 2.115 260 R HA -0.097 4.252 4.340 0.015 0.000 0.230 260 R C 2.399 178.742 176.300 0.072 0.000 1.111 260 R CA 1.169 57.310 56.100 0.068 0.000 0.976 260 R CB -0.420 29.910 30.300 0.050 0.000 0.870 260 R HN 0.358 nan 8.270 nan 0.000 0.445 261 A N 0.295 123.170 122.820 0.091 0.000 1.898 261 A HA -0.193 4.136 4.320 0.015 0.000 0.216 261 A C 1.909 179.582 177.584 0.149 0.000 1.181 261 A CA 1.001 53.097 52.037 0.099 0.000 0.620 261 A CB -0.557 18.497 19.000 0.090 0.000 0.819 261 A HN 0.383 nan 8.150 nan 0.000 0.442 262 Y N -0.258 120.070 120.300 0.047 0.000 2.314 262 Y HA 0.021 4.580 4.550 0.015 0.000 0.293 262 Y C 0.608 176.522 175.900 0.023 0.000 1.129 262 Y CA 1.125 59.263 58.100 0.064 0.000 1.201 262 Y CB -0.009 38.491 38.460 0.068 0.000 0.999 262 Y HN 0.381 nan 8.280 nan 0.000 0.541 263 R N 0.238 120.741 120.500 0.005 0.000 3.146 263 R HA -0.155 4.194 4.340 0.015 0.000 0.250 263 R C -2.744 173.446 176.300 -0.183 0.000 0.912 263 R CA 0.382 56.433 56.100 -0.081 0.000 0.633 263 R CB -1.984 28.255 30.300 -0.102 0.000 1.180 263 R HN 0.309 nan 8.270 nan 0.000 0.464 264 P HA 0.029 nan 4.420 nan 0.000 0.274 264 P C -0.029 177.249 177.300 -0.037 0.000 1.237 264 P CA -0.103 62.988 63.100 -0.014 0.000 0.793 264 P CB 0.746 32.560 31.700 0.191 0.000 0.977 265 Q N -0.102 119.668 119.800 -0.051 0.000 2.424 265 Q HA 0.237 4.586 4.340 0.015 0.000 0.204 265 Q C 0.107 176.097 176.000 -0.017 0.000 0.933 265 Q CA 0.715 56.495 55.803 -0.039 0.000 0.929 265 Q CB -0.115 28.593 28.738 -0.050 0.000 1.037 265 Q HN 0.319 nan 8.270 nan 0.000 0.511 266 L N -0.640 120.575 121.223 -0.014 0.000 2.549 266 L HA 0.498 4.847 4.340 0.015 0.000 0.259 266 L C -1.840 175.013 176.870 -0.029 0.000 0.934 266 L CA -0.549 54.281 54.840 -0.016 0.000 0.865 266 L CB 1.649 43.695 42.059 -0.021 0.000 1.352 266 L HN -0.085 nan 8.230 nan 0.000 0.410 267 I N 5.425 125.966 120.570 -0.048 0.000 2.378 267 I HA 0.477 4.656 4.170 0.015 0.000 0.291 267 I C -0.616 175.399 176.117 -0.170 0.000 0.992 267 I CA -0.418 60.825 61.300 -0.095 0.000 1.154 267 I CB 1.649 39.597 38.000 -0.087 0.000 1.315 267 I HN 0.469 nan 8.210 nan 0.000 0.448 268 I N 6.720 127.168 120.570 -0.203 0.000 2.378 268 I HA 0.347 4.526 4.170 0.015 0.000 0.291 268 I C -0.558 175.331 176.117 -0.379 0.000 0.992 268 I CA -0.855 60.289 61.300 -0.259 0.000 1.154 268 I CB 1.888 39.782 38.000 -0.175 0.000 1.315 268 I HN 0.172 nan 8.210 nan 0.000 0.448 269 V N 5.155 124.713 119.914 -0.593 0.000 2.347 269 V HA 0.368 4.497 4.120 0.015 0.000 0.280 269 V C 0.771 176.483 176.094 -0.635 0.000 1.021 269 V CA -0.636 61.193 62.300 -0.785 0.000 0.847 269 V CB 1.354 32.340 31.823 -1.395 0.000 0.990 269 V HN 0.918 nan 8.190 nan 0.000 0.444 270 G N 2.662 111.149 108.800 -0.522 0.000 2.508 270 G HA2 0.264 4.234 3.960 0.015 0.000 0.301 270 G HA3 0.264 4.234 3.960 0.015 0.000 0.301 270 G C 0.275 174.813 174.900 -0.603 0.000 0.965 270 G CA -0.040 44.804 45.100 -0.425 0.000 1.339 270 G HN 0.657 nan 8.290 nan 0.000 0.455 271 S N 2.377 117.739 115.700 -0.563 0.000 2.592 271 S HA 0.592 5.072 4.470 0.015 0.000 0.305 271 S C 0.843 175.125 174.600 -0.531 0.000 1.118 271 S CA -0.325 57.508 58.200 -0.613 0.000 1.075 271 S CB -0.075 63.018 63.200 -0.179 0.000 1.107 271 S HN 0.737 nan 8.310 nan 0.000 0.503 272 G N 2.454 110.993 108.800 -0.435 0.000 2.434 272 G HA2 0.611 4.580 3.960 0.015 0.000 0.330 272 G HA3 0.611 4.580 3.960 0.015 0.000 0.330 272 G C -0.429 174.088 174.900 -0.639 0.000 1.155 272 G CA -0.715 44.150 45.100 -0.391 0.000 0.917 272 G HN 0.702 nan 8.290 nan 0.000 0.493 273 F N -0.294 119.610 119.950 -0.077 0.000 2.735 273 F HA 0.174 4.709 4.527 0.014 0.000 0.304 273 F C 1.034 176.849 175.800 0.025 0.000 1.119 273 F CA -0.611 57.193 58.000 -0.327 0.000 1.280 273 F CB 1.033 39.661 39.000 -0.619 0.000 0.994 273 F HN 0.421 nan 8.300 nan 0.000 0.520 274 D N 0.051 120.593 120.400 0.237 0.000 2.349 274 D HA 0.013 4.662 4.640 0.015 0.000 0.224 274 D C 1.710 178.180 176.300 0.283 0.000 1.029 274 D CA 0.369 54.553 54.000 0.308 0.000 0.879 274 D CB -0.199 40.866 40.800 0.441 0.000 0.906 274 D HN 0.205 nan 8.370 nan 0.000 0.528 275 A N 0.468 123.487 122.820 0.331 0.000 2.238 275 A HA 0.152 4.482 4.320 0.015 0.000 0.208 275 A C 1.237 178.946 177.584 0.209 0.000 1.177 275 A CA 0.003 52.167 52.037 0.211 0.000 0.804 275 A CB -0.553 18.445 19.000 -0.002 0.000 0.823 275 A HN 0.268 nan 8.150 nan 0.000 0.482 276 S N -1.269 114.673 115.700 0.403 0.000 2.579 276 S HA 0.201 4.680 4.470 0.015 0.000 0.275 276 S C 1.042 175.798 174.600 0.261 0.000 1.345 276 S CA 0.269 58.721 58.200 0.420 0.000 1.031 276 S CB 0.392 63.922 63.200 0.549 0.000 0.892 276 S HN 0.369 nan 8.310 nan 0.000 0.529 277 M N 2.539 122.265 119.600 0.210 0.000 2.255 277 M HA -0.027 4.462 4.480 0.015 0.000 0.259 277 M C 1.010 177.350 176.300 0.067 0.000 1.071 277 M CA 1.810 57.157 55.300 0.078 0.000 1.074 277 M CB -0.610 31.980 32.600 -0.017 0.000 1.384 277 M HN 0.794 nan 8.290 nan 0.000 0.415 278 L N -1.218 120.079 121.223 0.123 0.000 2.728 278 L HA 0.213 4.562 4.340 0.015 0.000 0.238 278 L C 0.290 177.268 176.870 0.179 0.000 1.143 278 L CA -0.421 54.476 54.840 0.095 0.000 0.937 278 L CB -0.278 41.782 42.059 0.002 0.000 1.225 278 L HN 0.096 nan 8.230 nan 0.000 0.507 279 D N 1.973 122.506 120.400 0.221 0.000 2.351 279 D HA 0.094 4.743 4.640 0.015 0.000 0.251 279 D C -1.428 175.007 176.300 0.225 0.000 1.137 279 D CA -1.355 52.805 54.000 0.266 0.000 0.879 279 D CB 2.133 43.123 40.800 0.318 0.000 1.181 279 D HN -0.027 nan 8.370 nan 0.000 0.448 280 P HA -0.034 nan 4.420 nan 0.000 0.225 280 P C 1.303 178.700 177.300 0.162 0.000 1.156 280 P CA 0.506 63.705 63.100 0.164 0.000 0.787 280 P CB 0.441 32.223 31.700 0.137 0.000 0.802 281 L N -1.669 119.692 121.223 0.230 0.000 2.611 281 L HA 0.404 4.753 4.340 0.015 0.000 0.229 281 L C 1.061 178.147 176.870 0.360 0.000 1.137 281 L CA -0.199 54.788 54.840 0.245 0.000 0.901 281 L CB -0.148 42.018 42.059 0.179 0.000 1.098 281 L HN -0.034 nan 8.230 nan 0.000 0.456 282 A N -0.410 122.566 122.820 0.260 0.000 2.557 282 A HA 0.690 5.019 4.320 0.015 0.000 0.292 282 A C -0.471 177.210 177.584 0.163 0.000 1.139 282 A CA -0.641 51.520 52.037 0.208 0.000 0.665 282 A CB 1.093 20.184 19.000 0.151 0.000 1.285 282 A HN 0.038 nan 8.150 nan 0.000 0.433 283 R N -0.032 120.554 120.500 0.143 0.000 2.700 283 R HA 0.303 4.652 4.340 0.015 0.000 0.377 283 R C -0.511 175.854 176.300 0.109 0.000 1.130 283 R CA -0.138 56.030 56.100 0.113 0.000 1.055 283 R CB 0.151 30.511 30.300 0.099 0.000 1.387 283 R HN 0.661 nan 8.270 nan 0.000 0.580 284 M N -0.040 119.635 119.600 0.125 0.000 2.494 284 M HA 0.441 4.930 4.480 0.015 0.000 0.300 284 M C 0.950 177.291 176.300 0.069 0.000 1.189 284 M CA -0.352 55.019 55.300 0.118 0.000 0.982 284 M CB 0.959 33.653 32.600 0.156 0.000 1.534 284 M HN -0.051 nan 8.290 nan 0.000 0.488 285 M N 0.510 120.127 119.600 0.029 0.000 2.705 285 M HA 0.227 4.716 4.480 0.015 0.000 0.387 285 M C -0.595 175.669 176.300 -0.059 0.000 1.204 285 M CA -0.198 55.100 55.300 -0.003 0.000 0.905 285 M CB 0.499 33.096 32.600 -0.005 0.000 1.394 285 M HN 0.229 nan 8.290 nan 0.000 0.515 286 V N 1.827 121.644 119.914 -0.161 0.000 2.585 286 V HA 0.126 4.255 4.120 0.015 0.000 0.296 286 V C 0.957 176.981 176.094 -0.117 0.000 1.035 286 V CA 0.068 62.143 62.300 -0.375 0.000 1.084 286 V CB 0.632 31.854 31.823 -1.002 0.000 0.953 286 V HN 0.544 nan 8.190 nan 0.000 0.483 287 T N 2.013 116.527 114.554 -0.067 0.000 2.923 287 T HA 0.623 4.982 4.350 0.015 0.000 0.281 287 T C 1.302 176.121 174.700 0.198 0.000 0.995 287 T CA -0.105 62.126 62.100 0.218 0.000 0.985 287 T CB 1.677 70.661 68.868 0.193 0.000 1.114 287 T HN 0.705 nan 8.240 nan 0.000 0.548 288 A N 0.196 123.178 122.820 0.271 0.000 1.940 288 A HA -0.111 4.218 4.320 0.015 0.000 0.219 288 A C 1.973 179.635 177.584 0.129 0.000 1.176 288 A CA 2.300 54.410 52.037 0.121 0.000 0.631 288 A CB -1.405 17.616 19.000 0.033 0.000 0.814 288 A HN 1.004 nan 8.150 nan 0.000 0.446 289 D N -0.902 119.579 120.400 0.135 0.000 2.117 289 D HA -0.019 4.630 4.640 0.015 0.000 0.198 289 D C 2.010 178.311 176.300 0.001 0.000 0.982 289 D CA 1.578 55.620 54.000 0.071 0.000 0.828 289 D CB -0.442 40.409 40.800 0.086 0.000 0.967 289 D HN 0.297 nan 8.370 nan 0.000 0.464 290 G N -0.563 108.191 108.800 -0.076 0.000 2.459 290 G HA2 -0.287 3.683 3.960 0.015 0.000 0.217 290 G HA3 -0.287 3.683 3.960 0.015 0.000 0.217 290 G C 1.396 176.104 174.900 -0.320 0.000 1.183 290 G CA 0.753 45.709 45.100 -0.240 0.000 0.776 290 G HN 0.266 nan 8.290 nan 0.000 0.552 291 F N 0.757 120.613 119.950 -0.158 0.000 2.126 291 F HA 0.012 4.551 4.527 0.020 0.000 0.299 291 F C 2.701 178.444 175.800 -0.096 0.000 1.096 291 F CA 1.390 59.275 58.000 -0.192 0.000 1.255 291 F CB -0.490 38.491 39.000 -0.032 0.000 0.997 291 F HN 0.044 nan 8.300 nan 0.000 0.479 292 R N 0.225 120.802 120.500 0.128 0.000 2.083 292 R HA -0.204 4.145 4.340 0.015 0.000 0.237 292 R C 2.236 178.577 176.300 0.068 0.000 1.137 292 R CA 1.731 57.885 56.100 0.089 0.000 0.951 292 R CB -0.186 30.143 30.300 0.049 0.000 0.851 292 R HN 0.210 nan 8.270 nan 0.000 0.434 293 Q N 0.023 119.834 119.800 0.018 0.000 2.119 293 Q HA -0.126 4.223 4.340 0.015 0.000 0.201 293 Q C 2.149 178.161 176.000 0.019 0.000 0.972 293 Q CA 1.573 57.384 55.803 0.013 0.000 0.847 293 Q CB -0.218 28.512 28.738 -0.014 0.000 0.903 293 Q HN 0.476 nan 8.270 nan 0.000 0.433 294 M N 0.141 119.705 119.600 -0.059 0.000 2.086 294 M HA -0.145 4.344 4.480 0.015 0.000 0.261 294 M C 2.302 178.687 176.300 0.140 0.000 1.067 294 M CA 1.742 56.983 55.300 -0.099 0.000 1.116 294 M CB -0.468 31.818 32.600 -0.523 0.000 1.348 294 M HN 0.180 nan 8.290 nan 0.000 0.407 295 A N 0.294 123.263 122.820 0.248 0.000 1.877 295 A HA -0.205 4.124 4.320 0.015 0.000 0.216 295 A C 2.088 179.914 177.584 0.403 0.000 1.186 295 A CA 2.027 54.425 52.037 0.602 0.000 0.620 295 A CB -0.651 18.657 19.000 0.513 0.000 0.822 295 A HN 0.384 nan 8.150 nan 0.000 0.443 296 R N 0.002 120.641 120.500 0.233 0.000 2.094 296 R HA -0.136 4.213 4.340 0.015 0.000 0.239 296 R C 2.265 178.667 176.300 0.170 0.000 1.137 296 R CA 2.223 58.423 56.100 0.167 0.000 0.943 296 R CB -0.543 29.817 30.300 0.101 0.000 0.850 296 R HN 0.538 nan 8.270 nan 0.000 0.433 297 R N -1.010 119.584 120.500 0.156 0.000 2.091 297 R HA -0.080 4.269 4.340 0.015 0.000 0.238 297 R C 2.184 178.589 176.300 0.175 0.000 1.136 297 R CA 2.073 58.256 56.100 0.138 0.000 0.959 297 R CB -0.352 30.015 30.300 0.111 0.000 0.856 297 R HN 0.359 nan 8.270 nan 0.000 0.437 298 T N 0.874 115.583 114.554 0.260 0.000 2.812 298 T HA -0.029 4.330 4.350 0.015 0.000 0.264 298 T C 1.895 176.728 174.700 0.222 0.000 1.042 298 T CA 0.987 63.240 62.100 0.256 0.000 1.140 298 T CB -0.094 68.991 68.868 0.361 0.000 0.870 298 T HN 0.126 nan 8.240 nan 0.000 0.445 299 I N 1.538 122.284 120.570 0.293 0.000 2.226 299 I HA -0.169 4.010 4.170 0.015 0.000 0.245 299 I C 2.294 178.510 176.117 0.165 0.000 1.100 299 I CA 1.183 62.637 61.300 0.256 0.000 1.374 299 I CB -0.384 37.790 38.000 0.291 0.000 1.057 299 I HN 0.101 nan 8.210 nan 0.000 0.413 300 D N 0.168 120.656 120.400 0.146 0.000 2.117 300 D HA -0.210 4.439 4.640 0.015 0.000 0.197 300 D C 2.206 178.560 176.300 0.090 0.000 0.987 300 D CA 1.160 55.222 54.000 0.104 0.000 0.829 300 D CB -0.613 40.240 40.800 0.089 0.000 0.961 300 D HN 0.394 nan 8.370 nan 0.000 0.460 301 C N 0.979 120.338 119.300 0.098 0.000 2.432 301 C HA -0.062 4.407 4.460 0.015 0.000 0.277 301 C C 2.885 177.919 174.990 0.072 0.000 1.249 301 C CA 1.428 60.495 59.018 0.081 0.000 1.725 301 C CB -1.083 26.710 27.740 0.087 0.000 2.028 301 C HN 0.346 nan 8.230 nan 0.000 0.477 302 A N 0.506 123.374 122.820 0.081 0.000 1.883 302 A HA 0.019 4.348 4.320 0.015 0.000 0.217 302 A C 2.512 180.134 177.584 0.063 0.000 1.186 302 A CA 2.541 54.618 52.037 0.067 0.000 0.624 302 A CB -1.314 17.732 19.000 0.077 0.000 0.822 302 A HN 0.913 nan 8.150 nan 0.000 0.444 303 A N 0.000 122.865 122.820 0.073 0.000 1.917 303 A HA -0.241 4.088 4.320 0.015 0.000 0.219 303 A C 1.777 179.389 177.584 0.048 0.000 1.182 303 A CA 2.095 54.170 52.037 0.062 0.000 0.633 303 A CB -0.650 18.390 19.000 0.067 0.000 0.819 303 A HN 0.501 nan 8.150 nan 0.000 0.448 304 D N -0.288 120.140 120.400 0.048 0.000 2.117 304 D HA -0.099 4.550 4.640 0.015 0.000 0.198 304 D C 1.903 178.222 176.300 0.031 0.000 0.982 304 D CA 1.808 55.830 54.000 0.038 0.000 0.828 304 D CB -0.261 40.562 40.800 0.039 0.000 0.967 304 D HN 0.747 nan 8.370 nan 0.000 0.464 305 I N -1.951 118.640 120.570 0.033 0.000 3.939 305 I HA 0.140 4.319 4.170 0.015 0.000 0.313 305 I C 0.821 176.948 176.117 0.016 0.000 1.274 305 I CA 0.065 61.379 61.300 0.024 0.000 1.301 305 I CB 0.452 38.471 38.000 0.031 0.000 1.105 305 I HN -0.005 nan 8.210 nan 0.000 0.427 306 C N -0.335 118.978 119.300 0.022 0.000 3.025 306 C HA 0.494 4.963 4.460 0.015 0.000 0.240 306 C C 0.575 175.579 174.990 0.023 0.000 2.061 306 C CA -0.445 58.582 59.018 0.015 0.000 1.571 306 C CB -1.357 26.390 27.740 0.010 0.000 3.075 306 C HN 0.627 nan 8.230 nan 0.000 0.479 307 D N 0.741 121.157 120.400 0.026 0.000 2.811 307 D HA -0.062 4.587 4.640 0.015 0.000 0.231 307 D C 1.457 177.783 176.300 0.043 0.000 1.157 307 D CA 2.342 56.360 54.000 0.031 0.000 0.716 307 D CB -1.179 39.635 40.800 0.024 0.000 1.077 307 D HN 1.882 nan 8.370 nan 0.000 0.428 308 G N -0.561 108.270 108.800 0.052 0.000 2.159 308 G HA2 -0.388 3.581 3.960 0.015 0.000 0.256 308 G HA3 -0.388 3.581 3.960 0.015 0.000 0.256 308 G C 0.384 175.329 174.900 0.076 0.000 0.977 308 G CA 0.239 45.381 45.100 0.071 0.000 0.652 308 G HN 0.554 nan 8.290 nan 0.000 0.531 309 R N 0.165 120.698 120.500 0.055 0.000 2.309 309 R HA 0.578 4.927 4.340 0.015 0.000 0.331 309 R C -0.102 176.222 176.300 0.041 0.000 1.116 309 R CA 0.101 56.230 56.100 0.049 0.000 0.970 309 R CB 0.326 30.645 30.300 0.032 0.000 1.024 309 R HN 0.461 nan 8.270 nan 0.000 0.472 310 I N 2.375 122.985 120.570 0.067 0.000 2.607 310 I HA 0.311 4.490 4.170 0.015 0.000 0.290 310 I C -1.394 174.769 176.117 0.075 0.000 1.129 310 I CA -0.962 60.357 61.300 0.032 0.000 1.042 310 I CB 2.127 40.168 38.000 0.069 0.000 1.242 310 I HN 0.175 nan 8.210 nan 0.000 0.421 311 V N 7.804 127.687 119.914 -0.052 0.000 2.447 311 V HA 0.417 4.546 4.120 0.015 0.000 0.292 311 V C -0.755 175.242 176.094 -0.161 0.000 1.021 311 V CA -0.404 61.895 62.300 -0.003 0.000 0.850 311 V CB 1.471 33.276 31.823 -0.031 0.000 1.005 311 V HN 0.452 nan 8.190 nan 0.000 0.426 312 F N 3.959 123.784 119.950 -0.210 0.000 2.404 312 F HA 0.645 5.180 4.527 0.014 0.000 0.345 312 F C 0.240 175.665 175.800 -0.625 0.000 1.110 312 F CA -0.490 57.236 58.000 -0.457 0.000 1.130 312 F CB 1.751 40.424 39.000 -0.545 0.000 1.129 312 F HN 0.176 nan 8.300 nan 0.000 0.500 313 V N 2.960 122.627 119.914 -0.412 0.000 2.577 313 V HA 0.284 4.413 4.120 0.015 0.000 0.303 313 V C -0.422 175.501 176.094 -0.284 0.000 1.042 313 V CA -1.089 61.019 62.300 -0.321 0.000 0.872 313 V CB 1.551 33.254 31.823 -0.202 0.000 0.998 313 V HN 0.593 nan 8.190 nan 0.000 0.423 314 Q N 3.912 123.625 119.800 -0.146 0.000 2.300 314 Q HA 0.184 4.533 4.340 0.015 0.000 0.280 314 Q C 0.227 176.189 176.000 -0.063 0.000 1.033 314 Q CA 0.902 56.729 55.803 0.040 0.000 0.903 314 Q CB 0.667 29.562 28.738 0.262 0.000 1.195 314 Q HN 0.752 nan 8.270 nan 0.000 0.386 315 E N 2.174 122.299 120.200 -0.124 0.000 3.834 315 E HA 0.448 4.807 4.350 0.015 0.000 0.318 315 E C 0.206 176.773 176.600 -0.055 0.000 0.680 315 E CA -0.172 56.137 56.400 -0.151 0.000 1.860 315 E CB -0.583 28.883 29.700 -0.390 0.000 2.061 315 E HN 0.709 nan 8.360 nan 0.000 0.447 316 G N -1.090 107.687 108.800 -0.039 0.000 2.525 316 G HA2 0.492 4.461 3.960 0.015 0.000 0.287 316 G HA3 0.492 4.461 3.960 0.015 0.000 0.287 316 G C -0.252 174.525 174.900 -0.205 0.000 1.350 316 G CA 0.073 45.169 45.100 -0.007 0.000 1.039 316 G HN 0.527 nan 8.290 nan 0.000 0.513 317 G N -2.673 105.728 108.800 -0.665 0.000 2.621 317 G HA2 0.239 4.208 3.960 0.015 0.000 0.355 317 G HA3 0.239 4.208 3.960 0.015 0.000 0.355 317 G C -0.916 173.529 174.900 -0.759 0.000 1.509 317 G CA -0.581 44.297 45.100 -0.371 0.000 1.000 317 G HN 0.731 nan 8.290 nan 0.000 0.646 318 Y N 1.055 121.485 120.300 0.216 0.000 2.738 318 Y HA 0.516 5.075 4.550 0.015 0.000 0.249 318 Y C 1.252 177.239 175.900 0.145 0.000 1.157 318 Y CA -0.001 58.207 58.100 0.181 0.000 1.189 318 Y CB 1.516 40.094 38.460 0.196 0.000 1.262 318 Y HN 0.624 nan 8.280 nan 0.000 0.554 319 S N 3.329 119.151 115.700 0.203 0.000 2.434 319 S HA 0.242 4.721 4.470 0.015 0.000 0.318 319 S C -1.701 172.924 174.600 0.042 0.000 1.062 319 S CA -1.739 56.575 58.200 0.190 0.000 1.116 319 S CB 0.776 64.138 63.200 0.270 0.000 0.977 319 S HN 0.025 nan 8.310 nan 0.000 0.480 320 P HA -0.090 nan 4.420 nan 0.000 0.220 320 P C 0.448 177.627 177.300 -0.203 0.000 1.148 320 P CA 1.277 64.251 63.100 -0.210 0.000 0.803 320 P CB -0.036 31.468 31.700 -0.327 0.000 0.782 321 H N -2.264 116.844 119.070 0.063 0.000 2.307 321 H HA -0.078 4.487 4.556 0.015 0.000 0.303 321 H C 1.869 177.279 175.328 0.136 0.000 1.073 321 H CA 1.334 57.436 56.048 0.090 0.000 1.338 321 H CB -1.032 28.719 29.762 -0.018 0.000 1.389 321 H HN 0.082 nan 8.280 nan 0.000 0.503 322 Y N 0.248 120.543 120.300 -0.007 0.000 2.524 322 Y HA 0.150 4.707 4.550 0.012 0.000 0.270 322 Y C 2.164 178.039 175.900 -0.042 0.000 1.094 322 Y CA -0.197 57.860 58.100 -0.072 0.000 1.276 322 Y CB -0.214 38.147 38.460 -0.164 0.000 1.130 322 Y HN 0.160 nan 8.280 nan 0.000 0.536 323 L N 1.003 122.169 121.223 -0.096 0.000 2.013 323 L HA -0.157 4.192 4.340 0.015 0.000 0.212 323 L C -0.843 175.656 176.870 -0.620 0.000 1.073 323 L CA 1.842 56.480 54.840 -0.337 0.000 0.753 323 L CB -1.266 40.704 42.059 -0.149 0.000 0.890 323 L HN 0.040 nan 8.230 nan 0.000 0.432 324 P HA -0.195 nan 4.420 nan 0.000 0.216 324 P C 1.234 178.051 177.300 -0.805 0.000 1.150 324 P CA 1.758 64.503 63.100 -0.593 0.000 0.843 324 P CB -0.125 31.302 31.700 -0.455 0.000 0.787 325 F N -1.630 118.062 119.950 -0.431 0.000 2.325 325 F HA -0.107 4.431 4.527 0.018 0.000 0.299 325 F C 2.417 177.852 175.800 -0.609 0.000 1.090 325 F CA 0.716 58.483 58.000 -0.387 0.000 1.392 325 F CB -1.380 37.536 39.000 -0.139 0.000 1.053 325 F HN -0.025 nan 8.300 nan 0.000 0.521 326 C N -0.060 118.765 119.300 -0.791 0.000 2.453 326 C HA -0.058 4.411 4.460 0.015 0.000 0.277 326 C C 3.164 177.297 174.990 -1.429 0.000 1.262 326 C CA 1.256 59.678 59.018 -0.993 0.000 1.718 326 C CB -1.585 25.433 27.740 -1.203 0.000 2.031 326 C HN 0.628 nan 8.230 nan 0.000 0.480 327 G N 0.404 107.980 108.800 -2.040 0.000 2.446 327 G HA2 -0.219 3.750 3.960 0.015 0.000 0.217 327 G HA3 -0.219 3.750 3.960 0.015 0.000 0.217 327 G C 1.530 175.832 174.900 -0.997 0.000 1.168 327 G CA 1.042 44.827 45.100 -2.192 0.000 0.771 327 G HN 0.447 nan 8.290 nan 0.000 0.551 328 L N 1.472 122.272 121.223 -0.705 0.000 2.046 328 L HA 0.119 4.468 4.340 0.015 0.000 0.208 328 L C 3.096 179.853 176.870 -0.188 0.000 1.077 328 L CA 2.088 56.775 54.840 -0.255 0.000 0.747 328 L CB -0.824 41.097 42.059 -0.230 0.000 0.896 328 L HN 0.255 nan 8.230 nan 0.000 0.432 329 A N -0.956 121.738 122.820 -0.209 0.000 1.892 329 A HA -0.225 4.104 4.320 0.015 0.000 0.218 329 A C 2.277 179.833 177.584 -0.047 0.000 1.188 329 A CA 2.473 54.455 52.037 -0.092 0.000 0.631 329 A CB -1.284 17.681 19.000 -0.059 0.000 0.822 329 A HN 0.327 nan 8.150 nan 0.000 0.447 330 V N 0.097 119.983 119.914 -0.046 0.000 2.295 330 V HA -0.279 3.850 4.120 0.015 0.000 0.246 330 V C 2.420 178.475 176.094 -0.066 0.000 1.049 330 V CA 2.092 64.414 62.300 0.037 0.000 1.024 330 V CB -0.684 31.289 31.823 0.250 0.000 0.648 330 V HN 0.581 nan 8.190 nan 0.000 0.447 331 I N -0.291 120.230 120.570 -0.082 0.000 2.394 331 I HA -0.219 3.960 4.170 0.015 0.000 0.251 331 I C 2.515 178.605 176.117 -0.045 0.000 1.136 331 I CA 1.434 62.695 61.300 -0.064 0.000 1.425 331 I CB -0.363 37.588 38.000 -0.082 0.000 1.079 331 I HN 0.398 nan 8.210 nan 0.000 0.425 332 E N 0.490 120.659 120.200 -0.051 0.000 2.153 332 E HA -0.206 4.153 4.350 0.015 0.000 0.194 332 E C 1.989 178.575 176.600 -0.024 0.000 0.988 332 E CA 0.826 57.199 56.400 -0.045 0.000 0.811 332 E CB 0.082 29.755 29.700 -0.045 0.000 0.746 332 E HN 0.370 nan 8.360 nan 0.000 0.466 333 E N 0.433 120.630 120.200 -0.006 0.000 2.152 333 E HA -0.112 4.247 4.350 0.015 0.000 0.192 333 E C 2.146 178.770 176.600 0.040 0.000 0.983 333 E CA 0.535 56.951 56.400 0.027 0.000 0.818 333 E CB -0.036 29.702 29.700 0.063 0.000 0.758 333 E HN 0.324 nan 8.360 nan 0.000 0.467 334 L N 0.749 121.983 121.223 0.018 0.000 2.027 334 L HA -0.141 4.208 4.340 0.015 0.000 0.206 334 L C 2.650 179.552 176.870 0.054 0.000 1.074 334 L CA 1.832 56.704 54.840 0.053 0.000 0.745 334 L CB -0.683 41.405 42.059 0.048 0.000 0.898 334 L HN 0.198 nan 8.230 nan 0.000 0.433 335 T N -3.608 110.962 114.554 0.026 0.000 3.023 335 T HA 0.061 4.420 4.350 0.015 0.000 0.266 335 T C 1.566 176.257 174.700 -0.015 0.000 1.093 335 T CA 0.606 62.716 62.100 0.015 0.000 1.129 335 T CB -0.075 68.791 68.868 -0.003 0.000 0.899 335 T HN 0.490 nan 8.240 nan 0.000 0.491 336 G N 0.560 109.348 108.800 -0.020 0.000 2.155 336 G HA2 -0.208 3.761 3.960 0.015 0.000 0.257 336 G HA3 -0.208 3.761 3.960 0.015 0.000 0.257 336 G C 0.041 174.892 174.900 -0.081 0.000 0.983 336 G CA 0.130 45.211 45.100 -0.031 0.000 0.676 336 G HN 0.784 nan 8.290 nan 0.000 0.528 337 V N 1.589 121.422 119.914 -0.135 0.000 2.378 337 V HA 0.522 4.651 4.120 0.015 0.000 0.288 337 V C 0.470 176.469 176.094 -0.158 0.000 1.016 337 V CA -1.274 60.889 62.300 -0.228 0.000 0.840 337 V CB 1.564 33.053 31.823 -0.556 0.000 0.994 337 V HN 0.265 nan 8.190 nan 0.000 0.431 338 R N 2.605 123.039 120.500 -0.110 0.000 2.316 338 R HA 0.373 4.722 4.340 0.015 0.000 0.314 338 R C 0.890 177.153 176.300 -0.061 0.000 1.069 338 R CA 0.078 56.138 56.100 -0.068 0.000 0.959 338 R CB 1.302 31.574 30.300 -0.046 0.000 0.987 338 R HN 0.754 nan 8.270 nan 0.000 0.446 339 S N 2.198 117.875 115.700 -0.039 0.000 2.460 339 S HA 0.278 4.757 4.470 0.015 0.000 0.226 339 S C 0.526 175.131 174.600 0.008 0.000 1.057 339 S CA 0.248 58.439 58.200 -0.015 0.000 0.948 339 S CB 0.448 63.641 63.200 -0.012 0.000 0.822 339 S HN 0.389 nan 8.310 nan 0.000 0.512 340 L N 1.652 122.891 121.223 0.026 0.000 2.465 340 L HA 0.472 4.821 4.340 0.015 0.000 0.257 340 L C -2.683 174.220 176.870 0.056 0.000 0.988 340 L CA -2.122 52.755 54.840 0.062 0.000 0.827 340 L CB 2.440 44.590 42.059 0.150 0.000 1.397 340 L HN -0.015 nan 8.230 nan 0.000 0.410 341 P HA 0.089 nan 4.420 nan 0.000 0.276 341 P C -1.305 175.989 177.300 -0.011 0.000 1.252 341 P CA -0.333 62.764 63.100 -0.006 0.000 0.802 341 P CB 0.778 32.454 31.700 -0.040 0.000 1.035 342 D N 1.653 122.048 120.400 -0.009 0.000 2.344 342 D HA 0.067 4.716 4.640 0.015 0.000 0.253 342 D C -1.319 174.902 176.300 -0.132 0.000 1.255 342 D CA -2.174 51.800 54.000 -0.044 0.000 0.894 342 D CB 0.307 41.214 40.800 0.178 0.000 1.067 342 D HN 0.137 nan 8.370 nan 0.000 0.492 343 P HA -0.100 nan 4.420 nan 0.000 0.233 343 P C 0.428 177.469 177.300 -0.431 0.000 1.167 343 P CA 0.654 63.490 63.100 -0.440 0.000 0.770 343 P CB -0.018 31.299 31.700 -0.638 0.000 0.837 344 Y N -1.978 118.247 120.300 -0.124 0.000 2.466 344 Y HA 0.053 4.610 4.550 0.012 0.000 0.272 344 Y C 2.652 178.569 175.900 0.028 0.000 1.169 344 Y CA 0.083 58.157 58.100 -0.043 0.000 1.285 344 Y CB -0.918 37.459 38.460 -0.139 0.000 1.078 344 Y HN 0.060 nan 8.280 nan 0.000 0.523 345 H N 0.847 119.980 119.070 0.106 0.000 2.289 345 H HA -0.197 4.357 4.556 -0.003 0.000 0.296 345 H C 2.285 177.644 175.328 0.052 0.000 1.091 345 H CA 2.395 58.493 56.048 0.085 0.000 1.274 345 H CB 0.120 29.913 29.762 0.051 0.000 1.364 345 H HN 0.343 nan 8.280 nan 0.000 0.490 346 E N -0.800 119.452 120.200 0.087 0.000 2.085 346 E HA -0.213 4.146 4.350 0.015 0.000 0.194 346 E C 2.015 178.617 176.600 0.003 0.000 0.994 346 E CA 1.166 57.586 56.400 0.034 0.000 0.801 346 E CB -0.293 29.446 29.700 0.065 0.000 0.743 346 E HN 0.520 nan 8.360 nan 0.000 0.453 347 F N 1.087 120.982 119.950 -0.092 0.000 2.161 347 F HA -0.155 4.384 4.527 0.019 0.000 0.300 347 F C 1.824 177.552 175.800 -0.121 0.000 1.089 347 F CA 1.315 59.263 58.000 -0.086 0.000 1.282 347 F CB -0.032 38.939 39.000 -0.049 0.000 1.010 347 F HN -0.016 nan 8.300 nan 0.000 0.485 348 L N -0.696 120.372 121.223 -0.259 0.000 2.477 348 L HA 0.150 4.499 4.340 0.015 0.000 0.220 348 L C 2.568 179.233 176.870 -0.342 0.000 1.106 348 L CA 0.599 55.210 54.840 -0.382 0.000 0.851 348 L CB -0.952 40.947 42.059 -0.266 0.000 0.994 348 L HN 0.169 nan 8.230 nan 0.000 0.462 349 A N 0.720 123.325 122.820 -0.359 0.000 1.972 349 A HA -0.086 4.243 4.320 0.015 0.000 0.219 349 A C 2.236 179.703 177.584 -0.195 0.000 1.169 349 A CA 1.720 53.554 52.037 -0.339 0.000 0.635 349 A CB -0.809 17.987 19.000 -0.340 0.000 0.810 349 A HN 0.411 nan 8.150 nan 0.000 0.446 350 G N -1.504 107.185 108.800 -0.186 0.000 2.880 350 G HA2 0.128 4.097 3.960 0.015 0.000 0.209 350 G HA3 0.128 4.097 3.960 0.015 0.000 0.209 350 G C 1.345 176.159 174.900 -0.144 0.000 1.157 350 G CA 0.445 45.463 45.100 -0.137 0.000 0.779 350 G HN 0.451 nan 8.290 nan 0.000 0.539 351 M N 0.268 119.754 119.600 -0.189 0.000 2.476 351 M HA 0.220 4.709 4.480 0.015 0.000 0.262 351 M C 1.474 177.705 176.300 -0.114 0.000 1.079 351 M CA 0.952 56.148 55.300 -0.174 0.000 1.104 351 M CB -0.023 32.441 32.600 -0.228 0.000 1.409 351 M HN 0.331 nan 8.290 nan 0.000 0.467 352 G N -0.851 107.891 108.800 -0.098 0.000 2.500 352 G HA2 0.108 4.077 3.960 0.015 0.000 0.209 352 G HA3 0.108 4.077 3.960 0.015 0.000 0.209 352 G C 0.321 175.192 174.900 -0.049 0.000 1.283 352 G CA -0.528 44.535 45.100 -0.062 0.000 0.960 352 G HN 0.666 nan 8.290 nan 0.000 0.528 353 G N -1.520 107.264 108.800 -0.026 0.000 2.217 353 G HA2 -0.265 3.704 3.960 0.015 0.000 0.246 353 G HA3 -0.265 3.704 3.960 0.015 0.000 0.246 353 G C 0.712 175.615 174.900 0.005 0.000 0.990 353 G CA 1.098 46.193 45.100 -0.008 0.000 0.627 353 G HN 1.617 nan 8.290 nan 0.000 0.522 354 N N 0.358 119.058 118.700 -0.001 0.000 2.322 354 N HA 0.283 5.032 4.740 0.015 0.000 0.194 354 N C -0.072 175.456 175.510 0.029 0.000 1.126 354 N CA 0.799 53.859 53.050 0.017 0.000 0.845 354 N CB 0.574 39.067 38.487 0.010 0.000 0.976 354 N HN 0.323 nan 8.380 nan 0.000 0.475 355 T N 0.917 115.478 114.554 0.012 0.000 2.792 355 T HA 0.248 4.607 4.350 0.015 0.000 0.280 355 T C -0.608 174.074 174.700 -0.030 0.000 0.990 355 T CA -0.654 61.447 62.100 0.002 0.000 0.960 355 T CB 1.829 70.690 68.868 -0.011 0.000 0.939 355 T HN -0.057 nan 8.240 nan 0.000 0.439 356 L N 5.290 126.466 121.223 -0.079 0.000 2.456 356 L HA 0.324 4.673 4.340 0.015 0.000 0.277 356 L C -0.451 176.332 176.870 -0.145 0.000 1.124 356 L CA 0.174 54.885 54.840 -0.214 0.000 0.880 356 L CB -0.427 41.285 42.059 -0.578 0.000 1.192 356 L HN 0.551 nan 8.230 nan 0.000 0.463 357 L N 4.339 125.499 121.223 -0.106 0.000 2.439 357 L HA 0.208 4.557 4.340 0.015 0.000 0.261 357 L C 1.126 177.945 176.870 -0.085 0.000 1.153 357 L CA -0.735 54.060 54.840 -0.074 0.000 0.808 357 L CB 0.529 42.560 42.059 -0.048 0.000 1.126 357 L HN 0.560 nan 8.230 nan 0.000 0.460 358 D N 1.470 121.833 120.400 -0.063 0.000 2.123 358 D HA -0.169 4.480 4.640 0.015 0.000 0.196 358 D C 1.906 178.172 176.300 -0.057 0.000 0.992 358 D CA 1.747 55.712 54.000 -0.058 0.000 0.833 358 D CB 0.083 40.859 40.800 -0.040 0.000 0.954 358 D HN 0.689 nan 8.370 nan 0.000 0.455 359 A N 0.630 123.422 122.820 -0.047 0.000 1.969 359 A HA -0.169 4.160 4.320 0.015 0.000 0.218 359 A C 2.045 179.593 177.584 -0.060 0.000 1.169 359 A CA 1.322 53.333 52.037 -0.043 0.000 0.635 359 A CB -0.397 18.587 19.000 -0.026 0.000 0.810 359 A HN 0.209 nan 8.150 nan 0.000 0.445 360 E N -0.638 119.518 120.200 -0.073 0.000 2.047 360 E HA -0.176 4.183 4.350 0.015 0.000 0.191 360 E C 2.275 178.807 176.600 -0.114 0.000 0.987 360 E CA 1.106 57.449 56.400 -0.095 0.000 0.799 360 E CB -0.184 29.457 29.700 -0.098 0.000 0.752 360 E HN 0.609 nan 8.360 nan 0.000 0.449 361 R N 0.900 121.325 120.500 -0.125 0.000 2.083 361 R HA -0.179 4.170 4.340 0.015 0.000 0.237 361 R C 2.287 178.538 176.300 -0.081 0.000 1.137 361 R CA 1.502 57.530 56.100 -0.121 0.000 0.951 361 R CB -0.278 29.949 30.300 -0.122 0.000 0.851 361 R HN 0.167 nan 8.270 nan 0.000 0.434 362 A N 0.769 123.547 122.820 -0.070 0.000 1.883 362 A HA -0.149 4.180 4.320 0.015 0.000 0.217 362 A C 2.405 179.950 177.584 -0.066 0.000 1.186 362 A CA 1.873 53.876 52.037 -0.057 0.000 0.624 362 A CB -0.945 18.026 19.000 -0.047 0.000 0.822 362 A HN 0.578 nan 8.150 nan 0.000 0.444 363 A N -0.316 122.455 122.820 -0.082 0.000 1.940 363 A HA -0.108 4.221 4.320 0.015 0.000 0.219 363 A C 2.121 179.644 177.584 -0.103 0.000 1.176 363 A CA 1.672 53.647 52.037 -0.104 0.000 0.631 363 A CB -0.586 18.339 19.000 -0.125 0.000 0.814 363 A HN 0.525 nan 8.150 nan 0.000 0.446 364 I N -0.880 119.634 120.570 -0.094 0.000 2.333 364 I HA -0.184 3.995 4.170 0.015 0.000 0.246 364 I C 2.397 178.482 176.117 -0.054 0.000 1.106 364 I CA 1.193 62.446 61.300 -0.079 0.000 1.411 364 I CB -0.373 37.587 38.000 -0.066 0.000 1.082 364 I HN 0.371 nan 8.210 nan 0.000 0.420 365 E N 0.844 121.015 120.200 -0.047 0.000 2.160 365 E HA -0.247 4.112 4.350 0.015 0.000 0.195 365 E C 1.927 178.507 176.600 -0.034 0.000 0.991 365 E CA 1.036 57.416 56.400 -0.033 0.000 0.810 365 E CB -0.066 29.616 29.700 -0.030 0.000 0.742 365 E HN 0.503 nan 8.360 nan 0.000 0.466 366 E N 0.131 120.306 120.200 -0.043 0.000 2.209 366 E HA -0.194 4.165 4.350 0.015 0.000 0.196 366 E C 1.701 178.279 176.600 -0.037 0.000 0.993 366 E CA 0.687 57.063 56.400 -0.039 0.000 0.819 366 E CB 0.088 29.758 29.700 -0.049 0.000 0.745 366 E HN 0.288 nan 8.360 nan 0.000 0.477 367 I N -0.044 120.500 120.570 -0.043 0.000 3.228 367 I HA -0.091 4.088 4.170 0.015 0.000 0.279 367 I C 2.234 178.329 176.117 -0.036 0.000 1.221 367 I CA 0.456 61.731 61.300 -0.042 0.000 1.458 367 I CB -0.829 37.141 38.000 -0.050 0.000 1.105 367 I HN -0.046 nan 8.210 nan 0.000 0.445 368 V N 2.777 122.673 119.914 -0.029 0.000 2.324 368 V HA -0.180 3.949 4.120 0.015 0.000 0.250 368 V C -0.050 176.030 176.094 -0.023 0.000 1.060 368 V CA 2.204 64.491 62.300 -0.021 0.000 1.042 368 V CB -1.970 29.845 31.823 -0.013 0.000 0.650 368 V HN 0.265 nan 8.190 nan 0.000 0.450 369 P HA -0.134 nan 4.420 nan 0.000 0.218 369 P C 1.632 178.912 177.300 -0.033 0.000 1.146 369 P CA 1.086 64.173 63.100 -0.022 0.000 0.813 369 P CB -0.093 31.597 31.700 -0.018 0.000 0.778 370 L N -1.660 119.536 121.223 -0.046 0.000 2.201 370 L HA -0.120 4.229 4.340 0.015 0.000 0.212 370 L C 2.276 179.093 176.870 -0.088 0.000 1.105 370 L CA 1.444 56.238 54.840 -0.075 0.000 0.775 370 L CB -1.475 40.531 42.059 -0.089 0.000 0.913 370 L HN -0.033 nan 8.230 nan 0.000 0.440 371 L N -0.827 120.361 121.223 -0.059 0.000 2.079 371 L HA -0.236 4.113 4.340 0.015 0.000 0.210 371 L C 2.666 179.510 176.870 -0.043 0.000 1.081 371 L CA 1.147 55.959 54.840 -0.048 0.000 0.752 371 L CB -0.902 41.144 42.059 -0.022 0.000 0.896 371 L HN 0.298 nan 8.230 nan 0.000 0.433 372 A N -0.247 122.551 122.820 -0.036 0.000 2.024 372 A HA -0.214 4.115 4.320 0.015 0.000 0.220 372 A C 1.692 179.257 177.584 -0.032 0.000 1.164 372 A CA 1.949 53.972 52.037 -0.023 0.000 0.643 372 A CB -0.384 18.606 19.000 -0.016 0.000 0.806 372 A HN 0.396 nan 8.150 nan 0.000 0.451 373 D N -0.610 119.747 120.400 -0.072 0.000 2.339 373 D HA 0.151 4.800 4.640 0.015 0.000 0.217 373 D C 0.208 176.403 176.300 -0.174 0.000 1.050 373 D CA 0.104 54.044 54.000 -0.100 0.000 0.856 373 D CB -0.042 40.684 40.800 -0.123 0.000 0.922 373 D HN 0.462 nan 8.370 nan 0.000 0.518 374 I N 1.766 122.250 120.570 -0.143 0.000 2.406 374 I HA 0.112 4.291 4.170 0.015 0.000 0.293 374 I C 0.445 176.646 176.117 0.140 0.000 1.101 374 I CA -0.066 61.188 61.300 -0.077 0.000 1.334 374 I CB -0.056 37.948 38.000 0.006 0.000 1.421 374 I HN -0.143 nan 8.210 nan 0.000 0.513 375 R N 0.000 120.693 120.500 0.322 0.000 2.786 375 R HA 0.000 4.349 4.340 0.015 0.000 0.208 375 R CA 0.000 56.242 56.100 0.237 0.000 0.921 375 R CB 0.000 30.380 30.300 0.133 0.000 0.687 375 R HN 0.000 nan 8.270 nan 0.000 0.535