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 2gsy_1_I DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG 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 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.144 0.000 1.349 8 T CB 0.000 68.837 68.868 -0.053 0.000 0.612 9 Q N 0.459 120.164 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 -0.000 0.000 0.269 9 Q C 0.651 176.580 176.000 -0.118 0.000 1.030 9 Q CA 0.685 56.419 55.803 -0.116 0.000 0.788 9 Q CB 0.733 29.414 28.738 -0.095 0.000 1.266 9 Q HN 2.519 nan 8.270 nan 0.000 0.438 10 Q N 0.467 120.205 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.061 4.340 -0.000 0.000 0.409 10 Q C 1.131 177.054 176.000 -0.129 0.000 1.118 10 Q CA 4.479 60.220 55.803 -0.103 0.000 0.966 10 Q CB -2.620 26.069 28.738 -0.082 0.000 1.795 10 Q HN 2.312 nan 8.270 nan 0.000 0.941 11 I N -6.419 114.079 120.570 -0.120 0.000 3.519 11 I HA 0.729 4.899 4.170 -0.000 0.000 0.314 11 I C -0.602 175.445 176.117 -0.117 0.000 1.273 11 I CA -0.590 60.631 61.300 -0.131 0.000 1.108 11 I CB 1.738 39.668 38.000 -0.118 0.000 1.212 11 I HN 0.652 nan 8.210 nan 0.000 0.420 12 V N 1.737 121.612 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 12 V C -1.866 174.262 176.094 0.057 0.000 1.017 12 V CA -1.096 61.184 62.300 -0.032 0.000 0.844 12 V CB 1.088 32.870 31.823 -0.070 0.000 1.011 12 V HN 0.537 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.584 178.958 177.300 0.124 0.000 1.158 13 P CA 1.687 64.834 63.100 0.080 0.000 0.895 13 P CB 0.115 31.863 31.700 0.081 0.000 0.792 14 F N -0.343 119.624 119.950 0.028 0.000 2.102 14 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 14 F C 2.046 177.886 175.800 0.068 0.000 1.105 14 F CA 1.296 59.314 58.000 0.030 0.000 1.239 14 F CB -0.730 38.263 39.000 -0.011 0.000 0.991 14 F HN -0.234 nan 8.300 nan 0.000 0.474 15 I N 0.649 121.225 120.570 0.010 0.000 2.208 15 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 15 I C 2.583 178.689 176.117 -0.018 0.000 1.097 15 I CA 1.423 62.715 61.300 -0.014 0.000 1.363 15 I CB -1.306 36.850 38.000 0.260 0.000 1.051 15 I HN 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.268 120.831 120.500 0.106 0.000 2.083 16 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 16 R C 2.595 178.910 176.300 0.025 0.000 1.137 16 R CA 2.126 58.319 56.100 0.155 0.000 0.951 16 R CB -0.231 30.138 30.300 0.115 0.000 0.851 16 R HN 0.226 nan 8.270 nan 0.000 0.434 17 S N 0.080 115.737 115.700 -0.071 0.000 2.368 17 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 17 S C 1.845 176.331 174.600 -0.190 0.000 1.029 17 S CA 1.128 59.264 58.200 -0.107 0.000 0.988 17 S CB -0.245 62.901 63.200 -0.089 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.297 122.285 121.223 -0.390 0.000 2.027 18 L HA 0.138 4.478 4.340 -0.000 0.000 0.206 18 L C 1.962 178.755 176.870 -0.127 0.000 1.074 18 L CA 1.799 56.428 54.840 -0.352 0.000 0.745 18 L CB -0.445 41.279 42.059 -0.558 0.000 0.898 18 L HN 0.373 nan 8.230 nan 0.000 0.433 19 L N -1.526 119.644 121.223 -0.089 0.000 2.375 19 L HA 0.084 4.424 4.340 -0.000 0.000 0.215 19 L C 0.673 177.627 176.870 0.140 0.000 1.108 19 L CA 0.314 55.169 54.840 0.027 0.000 0.830 19 L CB 0.004 41.995 42.059 -0.113 0.000 0.959 19 L HN 0.237 nan 8.230 nan 0.000 0.457 20 M N -0.537 119.120 119.600 0.096 0.000 2.389 20 M HA 0.239 4.718 4.480 -0.000 0.000 0.206 20 M C -1.980 174.359 176.300 0.066 0.000 0.976 20 M CA -1.275 54.107 55.300 0.136 0.000 0.648 20 M CB 1.594 34.269 32.600 0.124 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.157 nan 4.420 nan 0.000 0.219 21 P C 1.360 178.660 177.300 0.001 0.000 1.146 21 P CA 1.472 64.564 63.100 -0.013 0.000 0.808 21 P CB -0.178 31.493 31.700 -0.048 0.000 0.779 22 T N -5.729 108.838 114.554 0.022 0.000 3.051 22 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 22 T C 1.699 176.413 174.700 0.024 0.000 1.127 22 T CA 1.383 63.496 62.100 0.022 0.000 1.107 22 T CB -1.427 67.461 68.868 0.034 0.000 0.898 22 T HN 0.016 nan 8.240 nan 0.000 0.517 23 T N 0.853 115.423 114.554 0.027 0.000 3.023 23 T HA 0.452 4.802 4.350 -0.000 0.000 0.266 23 T C 0.928 175.641 174.700 0.023 0.000 1.093 23 T CA 1.049 63.163 62.100 0.024 0.000 1.129 23 T CB -0.664 68.222 68.868 0.030 0.000 0.899 23 T HN 0.991 nan 8.240 nan 0.000 0.491 24 G N 1.341 110.154 108.800 0.022 0.000 2.408 24 G HA2 0.073 4.033 3.960 -0.000 0.000 0.682 24 G HA3 0.073 4.033 3.960 -0.000 0.000 0.682 24 G C -3.334 171.584 174.900 0.030 0.000 1.303 24 G CA -0.961 44.157 45.100 0.030 0.000 0.966 24 G HN 0.074 nan 8.290 nan 0.000 0.560 25 P HA 0.721 nan 4.420 nan 0.000 0.283 25 P C -0.454 176.907 177.300 0.102 0.000 1.271 25 P CA 0.187 63.328 63.100 0.068 0.000 0.841 25 P CB 1.983 33.736 31.700 0.088 0.000 1.122 26 A N 0.500 123.411 122.820 0.151 0.000 2.572 26 A HA 0.601 4.921 4.320 -0.000 0.000 0.295 26 A C -0.527 177.211 177.584 0.258 0.000 1.072 26 A CA -0.540 51.619 52.037 0.203 0.000 0.691 26 A CB 0.722 19.858 19.000 0.226 0.000 1.291 26 A HN 0.381 nan 8.150 nan 0.000 0.404 27 S N 0.784 116.621 115.700 0.228 0.000 2.549 27 S HA 0.363 4.833 4.470 -0.000 0.000 0.279 27 S C 0.295 174.877 174.600 -0.029 0.000 1.321 27 S CA -0.160 58.145 58.200 0.175 0.000 1.054 27 S CB 0.074 63.442 63.200 0.280 0.000 0.899 27 S HN 0.462 nan 8.310 nan 0.000 0.497 28 I N 4.924 125.363 120.570 -0.219 0.000 2.598 28 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 28 I C -1.562 174.220 176.117 -0.559 0.000 1.140 28 I CA -1.416 59.459 61.300 -0.708 0.000 1.420 28 I CB 0.395 38.082 38.000 -0.522 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.109 nan 4.420 nan 0.000 0.214 29 P C -1.045 176.092 177.300 -0.272 0.000 1.807 29 P CA -0.264 62.624 63.100 -0.355 0.000 0.921 29 P CB -0.408 31.106 31.700 -0.311 0.000 1.835 30 D N -1.026 119.227 120.400 -0.245 0.000 2.541 30 D HA 0.120 4.760 4.640 -0.000 0.000 0.276 30 D C 0.448 176.728 176.300 -0.033 0.000 1.190 30 D CA -0.370 53.556 54.000 -0.125 0.000 1.095 30 D CB -0.004 40.734 40.800 -0.103 0.000 1.173 30 D HN -0.177 nan 8.370 nan 0.000 0.604 31 D N -1.343 119.058 120.400 0.001 0.000 2.349 31 D HA 0.039 4.679 4.640 -0.000 0.000 0.214 31 D C -0.005 176.323 176.300 0.046 0.000 1.063 31 D CA 0.325 54.338 54.000 0.022 0.000 0.847 31 D CB 0.077 40.889 40.800 0.019 0.000 0.933 31 D HN 0.275 nan 8.370 nan 0.000 0.513 32 T N 2.129 116.721 114.554 0.063 0.000 4.104 32 T HA 0.177 4.527 4.350 -0.000 0.000 0.285 32 T C 0.897 175.700 174.700 0.172 0.000 1.346 32 T CA -0.091 62.080 62.100 0.118 0.000 1.158 32 T CB -0.341 68.607 68.868 0.134 0.000 1.290 32 T HN 0.034 nan 8.240 nan 0.000 0.975 33 L N 3.406 124.720 121.223 0.153 0.000 2.404 33 L HA 0.253 4.593 4.340 -0.000 0.000 0.277 33 L C 0.773 177.852 176.870 0.347 0.000 1.184 33 L CA 0.053 55.035 54.840 0.235 0.000 1.013 33 L CB -0.087 42.026 42.059 0.089 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.944 123.337 120.200 0.321 0.000 2.207 34 E HA 0.315 4.665 4.350 -0.000 0.000 0.270 34 E C -0.605 176.015 176.600 0.034 0.000 0.927 34 E CA -0.955 55.503 56.400 0.097 0.000 0.799 34 E CB 2.435 31.973 29.700 -0.270 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.475 123.645 120.400 -0.382 0.000 2.412 35 K HA 0.048 4.368 4.320 -0.000 0.000 0.284 35 K C 0.230 176.746 176.600 -0.139 0.000 1.046 35 K CA 0.318 56.321 56.287 -0.473 0.000 0.999 35 K CB 0.138 32.310 32.500 -0.547 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.225 118.783 119.070 -0.104 0.000 2.959 36 H HA 0.484 5.040 4.556 -0.000 0.000 0.296 36 H C -1.069 174.291 175.328 0.054 0.000 1.421 36 H CA -0.801 55.259 56.048 0.020 0.000 1.206 36 H CB 1.926 31.792 29.762 0.173 0.000 1.891 36 H HN 0.402 nan 8.280 nan 0.000 0.573 37 T N 0.586 115.256 114.554 0.194 0.000 2.906 37 T HA 0.543 4.893 4.350 -0.000 0.000 0.295 37 T C -0.894 173.947 174.700 0.235 0.000 1.061 37 T CA -0.739 61.436 62.100 0.125 0.000 1.000 37 T CB 1.115 70.061 68.868 0.131 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.475 124.805 121.223 0.178 0.000 2.307 38 L HA 0.743 5.083 4.340 -0.000 0.000 0.284 38 L C 0.019 176.970 176.870 0.136 0.000 1.023 38 L CA -0.749 54.204 54.840 0.189 0.000 0.810 38 L CB 1.602 43.768 42.059 0.179 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.893 121.479 120.500 0.142 0.000 2.771 39 R HA 0.599 4.939 4.340 -0.000 0.000 0.274 39 R C -1.295 175.119 176.300 0.190 0.000 0.987 39 R CA -0.469 55.715 56.100 0.140 0.000 0.908 39 R CB 2.498 32.849 30.300 0.084 0.000 1.213 39 R HN 0.521 nan 8.270 nan 0.000 0.468 40 S N 1.186 116.981 115.700 0.158 0.000 2.501 40 S HA 0.500 4.970 4.470 -0.000 0.000 0.301 40 S C -1.105 173.608 174.600 0.190 0.000 1.096 40 S CA -0.848 57.443 58.200 0.151 0.000 1.063 40 S CB 1.472 64.725 63.200 0.089 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.327 122.670 120.200 0.239 0.000 2.224 41 E HA 0.339 4.689 4.350 -0.000 0.000 0.265 41 E C -0.406 176.292 176.600 0.163 0.000 0.878 41 E CA -0.495 56.037 56.400 0.219 0.000 0.759 41 E CB 2.031 31.917 29.700 0.309 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.573 114.047 114.554 0.110 0.000 2.882 42 T HA 0.507 4.857 4.350 -0.000 0.000 0.287 42 T C 0.311 175.064 174.700 0.089 0.000 1.014 42 T CA -0.613 61.533 62.100 0.077 0.000 1.049 42 T CB 0.971 69.863 68.868 0.040 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.324 117.076 115.700 0.087 0.000 2.561 43 S HA 0.670 5.140 4.470 -0.000 0.000 0.303 43 S C -0.319 174.304 174.600 0.038 0.000 1.110 43 S CA -0.921 57.350 58.200 0.118 0.000 1.034 43 S CB 1.409 64.760 63.200 0.251 0.000 1.010 43 S HN 1.069 nan 8.310 nan 0.000 0.482 44 T N 1.162 115.614 114.554 -0.171 0.000 2.881 44 T HA 0.717 5.067 4.350 -0.000 0.000 0.291 44 T C -1.316 173.075 174.700 -0.515 0.000 0.990 44 T CA -0.521 61.460 62.100 -0.198 0.000 0.976 44 T CB 0.430 69.208 68.868 -0.150 0.000 0.970 44 T HN 0.422 nan 8.240 nan 0.000 0.438 45 Y N 1.452 121.758 120.300 0.009 0.000 2.492 45 Y HA 0.551 5.101 4.550 -0.000 0.000 0.346 45 Y C -0.181 175.695 175.900 -0.041 0.000 0.997 45 Y CA -1.229 56.861 58.100 -0.016 0.000 1.025 45 Y CB 2.338 40.783 38.460 -0.023 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.950 122.705 118.700 0.092 0.000 2.621 46 N HA 0.382 5.122 4.740 -0.000 0.000 0.237 46 N C -1.303 174.212 175.510 0.009 0.000 0.997 46 N CA -0.296 52.769 53.050 0.025 0.000 0.918 46 N CB 0.930 39.419 38.487 0.003 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.960 122.146 121.223 -0.061 0.000 2.350 47 L HA 0.426 4.766 4.340 -0.000 0.000 0.275 47 L C 0.719 177.549 176.870 -0.067 0.000 1.099 47 L CA -0.393 54.376 54.840 -0.119 0.000 0.808 47 L CB 0.799 42.598 42.059 -0.432 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.829 116.396 114.554 0.021 0.000 2.799 48 T HA 0.340 4.690 4.350 -0.000 0.000 0.286 48 T C 0.084 174.851 174.700 0.111 0.000 0.973 48 T CA -0.485 61.640 62.100 0.042 0.000 1.035 48 T CB 1.676 70.570 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.458 123.420 119.914 0.081 0.000 2.555 49 V HA 0.461 4.581 4.120 -0.000 0.000 0.286 49 V C 1.217 177.390 176.094 0.132 0.000 1.044 49 V CA -0.263 62.130 62.300 0.155 0.000 1.026 49 V CB 1.025 32.912 31.823 0.107 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.347 111.240 108.800 0.155 0.000 2.535 50 G HA2 0.173 4.133 3.960 -0.000 0.000 0.282 50 G HA3 0.173 4.133 3.960 -0.000 0.000 0.282 50 G C 0.541 175.477 174.900 0.060 0.000 1.350 50 G CA -0.233 44.918 45.100 0.086 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.507 119.911 120.400 0.030 0.000 2.158 51 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 51 D C 2.796 179.101 176.300 0.007 0.000 0.995 51 D CA 2.104 56.112 54.000 0.014 0.000 0.846 51 D CB -0.262 40.538 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.596 110.957 114.554 -0.001 0.000 3.088 52 T HA 0.225 4.575 4.350 -0.000 0.000 0.259 52 T C 1.664 176.363 174.700 -0.003 0.000 1.122 52 T CA 0.848 62.935 62.100 -0.021 0.000 1.095 52 T CB 0.159 68.992 68.868 -0.058 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.216 109.043 108.800 0.046 0.000 2.160 53 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.251 53 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.251 53 G C 0.042 175.026 174.900 0.140 0.000 1.008 53 G CA 0.284 45.441 45.100 0.095 0.000 0.724 53 G HN 1.002 nan 8.290 nan 0.000 0.514 54 S N -1.332 114.405 115.700 0.062 0.000 2.546 54 S HA 0.929 5.399 4.470 -0.000 0.000 0.274 54 S C 0.095 174.481 174.600 -0.356 0.000 1.121 54 S CA 0.716 58.823 58.200 -0.156 0.000 0.887 54 S CB 1.842 64.947 63.200 -0.159 0.000 1.094 54 S HN 1.938 nan 8.310 nan 0.000 0.474 55 G N 1.104 109.368 108.800 -0.892 0.000 2.488 55 G HA2 0.562 4.522 3.960 -0.000 0.000 0.301 55 G HA3 0.562 4.522 3.960 -0.000 0.000 0.301 55 G C -2.478 172.164 174.900 -0.430 0.000 1.339 55 G CA -0.522 44.217 45.100 -0.602 0.000 0.803 55 G HN 1.009 nan 8.290 nan 0.000 0.482 56 L N -0.131 121.126 121.223 0.056 0.000 2.464 56 L HA 0.779 5.119 4.340 -0.000 0.000 0.266 56 L C -1.217 175.765 176.870 0.187 0.000 0.965 56 L CA -0.649 54.255 54.840 0.107 0.000 0.833 56 L CB 1.793 43.849 42.059 -0.005 0.000 1.296 56 L HN 0.520 nan 8.230 nan 0.000 0.405 57 I N 5.356 125.970 120.570 0.073 0.000 2.339 57 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 57 I C -0.652 175.225 176.117 -0.399 0.000 0.994 57 I CA -0.906 60.287 61.300 -0.177 0.000 1.191 57 I CB 1.844 39.629 38.000 -0.359 0.000 1.343 57 I HN 0.255 nan 8.210 nan 0.000 0.458 58 V N 7.303 126.937 119.914 -0.466 0.000 2.350 58 V HA 0.362 4.482 4.120 -0.000 0.000 0.276 58 V C -0.274 175.339 176.094 -0.803 0.000 1.028 58 V CA -0.327 61.638 62.300 -0.559 0.000 0.860 58 V CB 0.817 32.332 31.823 -0.514 0.000 0.990 58 V HN 0.404 nan 8.190 nan 0.000 0.453 59 F N 4.092 123.767 119.950 -0.459 0.000 2.458 59 F HA 0.582 5.109 4.527 -0.000 0.000 0.330 59 F C -0.012 175.466 175.800 -0.537 0.000 1.082 59 F CA -0.625 57.125 58.000 -0.417 0.000 0.995 59 F CB 1.752 40.660 39.000 -0.152 0.000 1.170 59 F HN 0.367 nan 8.300 nan 0.000 0.478 60 F N 3.637 123.760 119.950 0.288 0.000 2.334 60 F HA 0.279 4.806 4.527 -0.000 0.000 0.343 60 F C -1.635 174.310 175.800 0.241 0.000 1.136 60 F CA -1.813 56.328 58.000 0.235 0.000 1.237 60 F CB 0.241 39.373 39.000 0.220 0.000 1.525 60 F HN 0.269 nan 8.300 nan 0.000 0.528 61 P HA -0.133 nan 4.420 nan 0.000 0.219 61 P C 1.391 178.796 177.300 0.175 0.000 1.146 61 P CA 1.248 64.441 63.100 0.155 0.000 0.808 61 P CB 0.316 32.061 31.700 0.075 0.000 0.779 62 G N -1.687 107.249 108.800 0.226 0.000 3.337 62 G HA2 0.046 4.006 3.960 -0.000 0.000 0.246 62 G HA3 0.046 4.006 3.960 -0.000 0.000 0.246 62 G C -0.160 174.894 174.900 0.256 0.000 1.131 62 G CA -0.390 44.821 45.100 0.186 0.000 0.773 62 G HN 0.153 nan 8.290 nan 0.000 0.544 63 F N 3.165 123.249 119.950 0.223 0.000 2.571 63 F HA 0.286 4.813 4.527 -0.000 0.000 0.384 63 F C -1.596 174.353 175.800 0.250 0.000 1.058 63 F CA -2.455 55.678 58.000 0.222 0.000 1.200 63 F CB 1.111 40.245 39.000 0.224 0.000 1.077 63 F HN -0.054 nan 8.300 nan 0.000 0.558 64 P HA 0.318 nan 4.420 nan 0.000 0.238 64 P C -0.054 177.178 177.300 -0.114 0.000 1.794 64 P CA 0.358 63.406 63.100 -0.087 0.000 1.088 64 P CB 0.230 31.799 31.700 -0.218 0.000 1.923 65 G N 0.416 109.409 108.800 0.321 0.000 2.368 65 G HA2 0.001 3.961 3.960 -0.000 0.000 0.269 65 G HA3 0.001 3.961 3.960 -0.000 0.000 0.269 65 G C 0.226 175.384 174.900 0.430 0.000 1.291 65 G CA -0.349 44.904 45.100 0.255 0.000 0.903 65 G HN -0.042 nan 8.290 nan 0.000 0.483 66 S N -0.422 115.459 115.700 0.301 0.000 2.593 66 S HA 0.291 4.761 4.470 -0.000 0.000 0.217 66 S C 0.935 175.625 174.600 0.151 0.000 0.966 66 S CA 0.075 58.392 58.200 0.196 0.000 0.914 66 S CB -0.259 63.005 63.200 0.107 0.000 0.776 66 S HN 0.347 nan 8.310 nan 0.000 0.523 67 I N 1.312 121.865 120.570 -0.028 0.000 2.337 67 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 67 I C 0.833 176.929 176.117 -0.035 0.000 1.046 67 I CA -0.130 61.003 61.300 -0.279 0.000 1.324 67 I CB 1.451 38.915 38.000 -0.894 0.000 1.409 67 I HN -0.060 nan 8.210 nan 0.000 0.494 68 V N 5.324 125.340 119.914 0.170 0.000 2.922 68 V HA 0.435 4.555 4.120 -0.000 0.000 0.242 68 V C 0.942 177.275 176.094 0.398 0.000 1.094 68 V CA 1.060 63.549 62.300 0.316 0.000 1.106 68 V CB 0.415 32.425 31.823 0.312 0.000 0.799 68 V HN 0.962 nan 8.190 nan 0.000 0.474 69 G N -1.120 107.829 108.800 0.249 0.000 2.348 69 G HA2 0.660 4.620 3.960 -0.000 0.000 0.296 69 G HA3 0.660 4.620 3.960 -0.000 0.000 0.296 69 G C -1.840 173.031 174.900 -0.048 0.000 1.258 69 G CA 0.156 45.246 45.100 -0.017 0.000 0.868 69 G HN 0.659 nan 8.290 nan 0.000 0.488 70 A N -0.619 122.071 122.820 -0.217 0.000 2.549 70 A HA 0.790 5.110 4.320 -0.000 0.000 0.297 70 A C -1.285 176.128 177.584 -0.285 0.000 1.061 70 A CA -0.440 51.499 52.037 -0.162 0.000 0.690 70 A CB 1.541 20.556 19.000 0.024 0.000 1.287 70 A HN 1.204 nan 8.150 nan 0.000 0.402 71 H N 1.221 119.993 119.070 -0.496 0.000 2.466 71 H HA 0.646 5.202 4.556 -0.000 0.000 0.338 71 H C -1.799 173.231 175.328 -0.497 0.000 1.091 71 H CA -0.288 55.528 56.048 -0.387 0.000 1.207 71 H CB 0.908 30.491 29.762 -0.298 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.110 122.196 120.300 -0.358 0.000 2.425 72 Y HA 0.171 4.721 4.550 -0.000 0.000 0.344 72 Y C 0.451 176.182 175.900 -0.281 0.000 0.969 72 Y CA -0.827 57.144 58.100 -0.216 0.000 1.052 72 Y CB 2.139 40.665 38.460 0.111 0.000 1.215 72 Y HN 0.582 nan 8.280 nan 0.000 0.451 73 T N 0.557 115.064 114.554 -0.079 0.000 2.922 73 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 73 T C -0.757 173.984 174.700 0.068 0.000 1.005 73 T CA -0.754 61.342 62.100 -0.006 0.000 1.061 73 T CB 1.394 70.252 68.868 -0.017 0.000 1.007 73 T HN 0.461 nan 8.240 nan 0.000 0.502 74 L N 1.873 123.061 121.223 -0.058 0.000 2.334 74 L HA 0.446 4.786 4.340 -0.000 0.000 0.277 74 L C -0.052 176.718 176.870 -0.166 0.000 1.075 74 L CA -0.026 54.656 54.840 -0.263 0.000 0.804 74 L CB 1.140 42.982 42.059 -0.361 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.353 122.041 119.800 -0.187 0.000 2.297 75 Q HA 0.357 4.697 4.340 -0.000 0.000 0.269 75 Q C 0.919 176.852 176.000 -0.111 0.000 1.051 75 Q CA -0.179 55.558 55.803 -0.110 0.000 0.869 75 Q CB 1.451 30.143 28.738 -0.077 0.000 1.346 75 Q HN 0.898 nan 8.270 nan 0.000 0.457 76 G N 1.644 110.399 108.800 -0.075 0.000 2.556 76 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.220 76 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.220 76 G C 0.882 175.737 174.900 -0.076 0.000 1.156 76 G CA 1.431 46.491 45.100 -0.066 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.814 119.467 118.700 -0.077 0.000 2.515 77 N HA 0.133 4.873 4.740 -0.000 0.000 0.191 77 N C 1.554 177.002 175.510 -0.103 0.000 1.182 77 N CA 1.015 54.019 53.050 -0.078 0.000 0.879 77 N CB 0.060 38.508 38.487 -0.064 0.000 0.984 77 N HN 0.585 nan 8.380 nan 0.000 0.453 78 G N 0.419 109.135 108.800 -0.140 0.000 2.176 78 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 78 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 78 G C -0.210 174.538 174.900 -0.254 0.000 0.979 78 G CA -0.189 44.798 45.100 -0.188 0.000 0.641 78 G HN 0.431 nan 8.290 nan 0.000 0.530 79 N N -0.144 118.429 118.700 -0.211 0.000 2.515 79 N HA 0.555 5.295 4.740 -0.000 0.000 0.279 79 N C -0.083 175.271 175.510 -0.260 0.000 1.164 79 N CA -0.260 52.671 53.050 -0.199 0.000 0.982 79 N CB 0.448 38.874 38.487 -0.102 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.285 120.518 120.300 -0.112 0.000 2.301 80 Y HA 0.239 4.789 4.550 -0.000 0.000 0.328 80 Y C 1.008 176.940 175.900 0.054 0.000 1.242 80 Y CA 0.099 58.182 58.100 -0.028 0.000 1.323 80 Y CB 1.020 39.437 38.460 -0.071 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.268 123.856 120.400 0.312 0.000 2.471 81 K HA 0.254 4.574 4.320 -0.000 0.000 0.252 81 K C -1.437 175.369 176.600 0.343 0.000 0.938 81 K CA -0.801 55.647 56.287 0.269 0.000 0.796 81 K CB 0.902 33.474 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.820 123.914 119.950 0.240 0.000 2.607 82 F HA -0.028 4.499 4.527 -0.000 0.000 0.374 82 F C 0.882 176.616 175.800 -0.110 0.000 1.104 82 F CA 0.685 58.679 58.000 -0.011 0.000 1.296 82 F CB 0.804 39.823 39.000 0.031 0.000 1.085 82 F HN 0.819 nan 8.300 nan 0.000 0.584 83 D N 2.305 122.109 120.400 -0.993 0.000 2.805 83 D HA 0.108 4.748 4.640 -0.000 0.000 0.271 83 D C -0.620 174.997 176.300 -1.139 0.000 1.166 83 D CA 0.914 54.453 54.000 -0.769 0.000 1.004 83 D CB 0.219 40.757 40.800 -0.438 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.875 118.161 119.800 -1.274 0.000 2.578 84 Q HA 0.324 4.664 4.340 -0.000 0.000 0.284 84 Q C -1.090 174.646 176.000 -0.440 0.000 0.960 84 Q CA -1.037 54.279 55.803 -0.811 0.000 0.809 84 Q CB 1.116 29.654 28.738 -0.334 0.000 1.462 84 Q HN -0.045 nan 8.270 nan 0.000 0.392 85 M N 1.805 121.394 119.600 -0.019 0.000 2.243 85 M HA 0.354 4.834 4.480 -0.000 0.000 0.341 85 M C -0.526 175.645 176.300 -0.215 0.000 1.130 85 M CA -0.014 55.298 55.300 0.021 0.000 1.162 85 M CB 0.013 32.679 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.722 125.796 121.223 -0.249 0.000 2.272 86 L HA 0.550 4.890 4.340 -0.000 0.000 0.289 86 L C -0.442 176.421 176.870 -0.011 0.000 1.032 86 L CA -0.372 54.191 54.840 -0.462 0.000 0.810 86 L CB 0.650 42.479 42.059 -0.385 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.291 122.654 121.223 0.234 0.000 2.279 87 L HA 0.570 4.909 4.340 -0.000 0.000 0.262 87 L C 0.528 177.603 176.870 0.343 0.000 1.019 87 L CA -0.799 54.208 54.840 0.278 0.000 0.823 87 L CB 1.915 44.110 42.059 0.227 0.000 1.358 87 L HN 0.384 nan 8.230 nan 0.000 0.432 88 T N 0.264 114.965 114.554 0.246 0.000 2.903 88 T HA 0.090 4.439 4.350 -0.000 0.000 0.314 88 T C 1.138 175.931 174.700 0.154 0.000 1.078 88 T CA 0.516 62.744 62.100 0.214 0.000 1.114 88 T CB 1.396 70.388 68.868 0.206 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.641 125.528 122.820 0.112 0.000 1.908 89 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 89 A C 1.028 178.649 177.584 0.062 0.000 1.181 89 A CA 1.450 53.520 52.037 0.056 0.000 0.627 89 A CB -0.363 18.662 19.000 0.041 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.516 118.332 119.800 0.080 0.000 2.433 90 Q HA 0.490 4.830 4.340 -0.000 0.000 0.279 90 Q C -1.218 174.828 176.000 0.076 0.000 1.105 90 Q CA -0.981 54.865 55.803 0.072 0.000 0.815 90 Q CB 0.781 29.561 28.738 0.069 0.000 1.403 90 Q HN 0.135 nan 8.270 nan 0.000 0.435 91 N N 1.625 120.364 118.700 0.065 0.000 2.415 91 N HA 0.129 4.869 4.740 -0.000 0.000 0.250 91 N C 0.489 176.036 175.510 0.061 0.000 1.127 91 N CA -0.006 53.080 53.050 0.060 0.000 0.945 91 N CB 0.309 38.826 38.487 0.049 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.472 125.726 121.223 0.053 0.000 2.043 92 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 92 L C -0.664 176.273 176.870 0.112 0.000 1.075 92 L CA 1.271 56.163 54.840 0.087 0.000 0.752 92 L CB -1.073 40.929 42.059 -0.095 0.000 0.891 92 L HN 0.519 nan 8.230 nan 0.000 0.432 93 P HA -0.130 nan 4.420 nan 0.000 0.228 93 P C 1.091 178.393 177.300 0.002 0.000 1.151 93 P CA 1.268 64.381 63.100 0.023 0.000 0.770 93 P CB -0.020 31.686 31.700 0.010 0.000 0.786 94 A N -1.290 121.533 122.820 0.005 0.000 2.119 94 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 94 A C 2.009 179.547 177.584 -0.076 0.000 1.152 94 A CA 1.537 53.560 52.037 -0.024 0.000 0.708 94 A CB -0.552 18.442 19.000 -0.011 0.000 0.805 94 A HN 0.140 nan 8.150 nan 0.000 0.460 95 S N -2.787 112.842 115.700 -0.118 0.000 2.631 95 S HA 0.338 4.808 4.470 -0.000 0.000 0.246 95 S C -0.419 173.826 174.600 -0.592 0.000 1.068 95 S CA -0.241 57.738 58.200 -0.368 0.000 0.995 95 S CB 0.151 63.061 63.200 -0.484 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.036 121.322 120.300 -0.022 0.000 2.536 96 Y HA 0.523 5.073 4.550 -0.000 0.000 0.347 96 Y C 0.709 176.581 175.900 -0.047 0.000 1.000 96 Y CA -1.075 57.019 58.100 -0.010 0.000 1.051 96 Y CB 1.051 39.509 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.027 118.742 118.700 0.116 0.000 2.407 97 N HA 0.086 4.826 4.740 -0.000 0.000 0.182 97 N C -1.157 174.151 175.510 -0.337 0.000 1.079 97 N CA 0.520 53.494 53.050 -0.126 0.000 0.882 97 N CB 0.451 38.859 38.487 -0.133 0.000 1.106 97 N HN 0.532 nan 8.380 nan 0.000 0.461 98 Y N -1.025 119.351 120.300 0.127 0.000 2.545 98 Y HA 0.548 5.098 4.550 -0.000 0.000 0.348 98 Y C -0.160 175.868 175.900 0.214 0.000 1.002 98 Y CA -1.156 57.039 58.100 0.158 0.000 1.039 98 Y CB 2.210 40.773 38.460 0.173 0.000 1.271 98 Y HN -0.109 nan 8.280 nan 0.000 0.467 99 C N 2.419 121.930 119.300 0.353 0.000 3.284 99 C HA 0.847 5.307 4.460 -0.000 0.000 0.338 99 C C -1.802 173.167 174.990 -0.035 0.000 1.237 99 C CA -0.717 58.384 59.018 0.137 0.000 1.276 99 C CB 1.819 29.550 27.740 -0.016 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.668 123.129 120.500 -0.066 0.000 2.548 100 R HA 0.661 5.001 4.340 -0.000 0.000 0.280 100 R C -1.747 174.606 176.300 0.089 0.000 1.061 100 R CA -0.648 55.375 56.100 -0.129 0.000 0.915 100 R CB 1.681 31.648 30.300 -0.555 0.000 1.210 100 R HN 0.817 nan 8.270 nan 0.000 0.442 101 L N 4.702 125.998 121.223 0.121 0.000 2.319 101 L HA 0.228 4.568 4.340 -0.000 0.000 0.280 101 L C 0.149 177.040 176.870 0.034 0.000 1.099 101 L CA 0.388 55.256 54.840 0.045 0.000 0.828 101 L CB 1.611 43.709 42.059 0.065 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.551 122.443 119.914 -0.036 0.000 2.492 102 V HA 0.256 4.376 4.120 -0.000 0.000 0.241 102 V C 0.567 176.720 176.094 0.098 0.000 1.041 102 V CA 1.134 63.498 62.300 0.107 0.000 1.057 102 V CB 0.031 31.911 31.823 0.095 0.000 0.711 102 V HN 0.942 nan 8.190 nan 0.000 0.468 103 S N -0.308 115.356 115.700 -0.060 0.000 2.597 103 S HA 0.717 5.187 4.470 -0.000 0.000 0.274 103 S C -0.943 173.576 174.600 -0.135 0.000 1.132 103 S CA -0.917 57.238 58.200 -0.075 0.000 0.835 103 S CB 2.620 65.760 63.200 -0.101 0.000 1.092 103 S HN 0.485 nan 8.310 nan 0.000 0.457 104 R N 0.438 120.877 120.500 -0.103 0.000 2.563 104 R HA 0.665 5.005 4.340 -0.000 0.000 0.262 104 R C -1.695 174.535 176.300 -0.117 0.000 1.128 104 R CA 0.005 56.037 56.100 -0.115 0.000 0.969 104 R CB 1.691 31.931 30.300 -0.101 0.000 1.251 104 R HN 1.308 nan 8.270 nan 0.000 0.442 105 S N 4.005 119.625 115.700 -0.134 0.000 2.549 105 S HA 0.782 5.252 4.470 -0.000 0.000 0.280 105 S C -1.157 173.317 174.600 -0.211 0.000 1.109 105 S CA -0.793 57.290 58.200 -0.195 0.000 0.905 105 S CB 1.757 64.828 63.200 -0.216 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.220 122.269 121.223 -0.291 0.000 2.393 106 L HA 0.703 5.043 4.340 -0.000 0.000 0.260 106 L C -0.417 176.319 176.870 -0.223 0.000 1.002 106 L CA -0.487 54.181 54.840 -0.288 0.000 0.818 106 L CB 2.771 44.482 42.059 -0.580 0.000 1.369 106 L HN 0.774 nan 8.230 nan 0.000 0.412 107 T N 1.336 115.824 114.554 -0.110 0.000 2.824 107 T HA 0.631 4.981 4.350 -0.000 0.000 0.282 107 T C -0.937 173.779 174.700 0.027 0.000 0.993 107 T CA -0.371 61.700 62.100 -0.047 0.000 0.967 107 T CB 1.653 70.501 68.868 -0.032 0.000 0.960 107 T HN 0.208 nan 8.240 nan 0.000 0.441 108 V N 5.929 125.875 119.914 0.054 0.000 2.376 108 V HA 0.656 4.776 4.120 -0.000 0.000 0.287 108 V C -0.018 176.102 176.094 0.045 0.000 1.015 108 V CA -0.824 61.525 62.300 0.080 0.000 0.834 108 V CB 1.039 32.956 31.823 0.155 0.000 1.001 108 V HN 0.883 nan 8.190 nan 0.000 0.428 109 R N 2.538 123.045 120.500 0.012 0.000 2.764 109 R HA 0.786 5.126 4.340 -0.000 0.000 0.270 109 R C -0.695 175.584 176.300 -0.035 0.000 1.014 109 R CA -0.635 55.465 56.100 0.000 0.000 0.904 109 R CB 1.966 32.274 30.300 0.014 0.000 1.236 109 R HN 0.555 nan 8.270 nan 0.000 0.466 110 S N -0.158 115.520 115.700 -0.036 0.000 2.616 110 S HA 0.332 4.802 4.470 -0.000 0.000 0.277 110 S C 0.411 174.994 174.600 -0.028 0.000 1.234 110 S CA -0.091 58.077 58.200 -0.052 0.000 1.028 110 S CB 1.571 64.739 63.200 -0.054 0.000 0.988 110 S HN 0.823 nan 8.310 nan 0.000 0.522 111 S N 0.226 115.908 115.700 -0.031 0.000 2.679 111 S HA 0.330 4.800 4.470 -0.000 0.000 0.258 111 S C 0.318 174.909 174.600 -0.015 0.000 1.068 111 S CA -0.146 58.043 58.200 -0.018 0.000 1.115 111 S CB -0.069 63.121 63.200 -0.017 0.000 1.078 111 S HN 0.822 nan 8.310 nan 0.000 0.603 112 T N 2.028 116.571 114.554 -0.018 0.000 2.778 112 T HA 0.809 5.159 4.350 -0.000 0.000 0.293 112 T C -1.720 172.973 174.700 -0.010 0.000 1.144 112 T CA -0.848 61.245 62.100 -0.012 0.000 1.010 112 T CB 1.583 70.444 68.868 -0.011 0.000 1.325 112 T HN 0.564 nan 8.240 nan 0.000 0.515 113 L N -2.087 119.132 121.223 -0.005 0.000 2.653 113 L HA 0.805 5.145 4.340 -0.000 0.000 0.257 113 L C -2.763 174.108 176.870 0.000 0.000 0.969 113 L CA -1.797 53.041 54.840 -0.002 0.000 0.869 113 L CB -1.221 40.838 42.059 -0.000 0.000 1.439 113 L HN 0.416 nan 8.230 nan 0.000 0.414 121 N N 2.129 120.839 118.700 0.016 0.000 2.321 121 N HA 0.753 5.493 4.740 -0.000 0.000 0.299 121 N C 0.228 175.756 175.510 0.030 0.000 1.048 121 N CA 0.350 53.412 53.050 0.019 0.000 0.836 121 N CB 2.184 40.680 38.487 0.015 0.000 1.269 121 N HN 0.973 nan 8.380 nan 0.000 0.486 122 G N 1.101 109.919 108.800 0.030 0.000 2.625 122 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.311 122 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.311 122 G C -0.344 174.597 174.900 0.068 0.000 1.324 122 G CA 0.581 45.704 45.100 0.038 0.000 0.918 122 G HN 0.895 nan 8.290 nan 0.000 0.556 123 T N -3.035 111.578 114.554 0.099 0.000 2.883 123 T HA 0.687 5.037 4.350 -0.000 0.000 0.301 123 T C -0.457 174.432 174.700 0.316 0.000 1.158 123 T CA -0.698 61.506 62.100 0.175 0.000 1.007 123 T CB 2.012 70.993 68.868 0.188 0.000 1.186 123 T HN 0.940 nan 8.240 nan 0.000 0.499 124 I N 1.967 122.723 120.570 0.309 0.000 2.474 124 I HA 0.475 4.645 4.170 -0.000 0.000 0.294 124 I C -0.722 175.498 176.117 0.172 0.000 1.005 124 I CA -0.937 60.557 61.300 0.324 0.000 1.113 124 I CB 1.960 40.090 38.000 0.216 0.000 1.289 124 I HN 0.562 nan 8.210 nan 0.000 0.436 125 N N 4.289 122.955 118.700 -0.058 0.000 2.361 125 N HA 0.817 5.557 4.740 -0.000 0.000 0.302 125 N C -1.121 174.305 175.510 -0.139 0.000 1.074 125 N CA -0.483 52.394 53.050 -0.288 0.000 0.850 125 N CB 2.239 40.235 38.487 -0.819 0.000 1.228 125 N HN 0.693 nan 8.380 nan 0.000 0.491 126 A N 0.698 123.466 122.820 -0.087 0.000 2.515 126 A HA 0.791 5.111 4.320 -0.000 0.000 0.298 126 A C -1.170 176.389 177.584 -0.042 0.000 1.059 126 A CA -0.593 51.425 52.037 -0.032 0.000 0.698 126 A CB 1.011 20.028 19.000 0.028 0.000 1.289 126 A HN 0.381 nan 8.150 nan 0.000 0.404 127 V N -1.092 118.810 119.914 -0.020 0.000 3.049 127 V HA 0.805 4.925 4.120 -0.000 0.000 0.309 127 V C -0.309 175.805 176.094 0.033 0.000 1.148 127 V CA -0.721 61.575 62.300 -0.005 0.000 0.990 127 V CB 1.606 33.431 31.823 0.003 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.805 118.380 114.554 0.035 0.000 2.758 128 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 128 T C -0.934 173.835 174.700 0.116 0.000 0.981 128 T CA 0.080 62.218 62.100 0.063 0.000 0.965 128 T CB 0.765 69.641 68.868 0.013 0.000 0.927 128 T HN 0.662 nan 8.240 nan 0.000 0.448 129 F N 2.738 122.678 119.950 -0.018 0.000 2.436 129 F HA 0.345 4.872 4.527 -0.000 0.000 0.340 129 F C 0.821 176.622 175.800 0.002 0.000 1.113 129 F CA -0.947 57.045 58.000 -0.012 0.000 1.022 129 F CB 1.462 40.455 39.000 -0.012 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.608 124.025 119.800 -0.638 0.000 2.404 130 Q HA 0.313 4.653 4.340 -0.000 0.000 0.272 130 Q C 0.035 175.614 176.000 -0.702 0.000 0.939 130 Q CA -0.129 55.366 55.803 -0.514 0.000 0.945 130 Q CB 0.019 28.552 28.738 -0.342 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.627 107.645 108.800 -0.880 0.000 2.645 131 G HA2 0.383 4.343 3.960 -0.000 0.000 0.292 131 G HA3 0.383 4.343 3.960 -0.000 0.000 0.292 131 G C -0.897 174.091 174.900 0.147 0.000 1.415 131 G CA -0.645 44.210 45.100 -0.408 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.629 115.237 115.700 0.277 0.000 2.669 132 S HA 0.374 4.844 4.470 -0.000 0.000 0.270 132 S C 1.431 176.246 174.600 0.359 0.000 1.225 132 S CA -0.428 57.959 58.200 0.312 0.000 0.991 132 S CB 1.492 64.836 63.200 0.240 0.000 0.987 132 S HN 0.896 nan 8.310 nan 0.000 0.552 133 L N 1.744 123.129 121.223 0.270 0.000 2.021 133 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 133 L C 2.545 179.478 176.870 0.105 0.000 1.074 133 L CA 2.705 57.623 54.840 0.131 0.000 0.760 133 L CB -1.494 40.619 42.059 0.088 0.000 0.889 133 L HN 0.991 nan 8.230 nan 0.000 0.433 134 S N -1.927 113.863 115.700 0.151 0.000 2.507 134 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 134 S C 1.605 176.267 174.600 0.103 0.000 0.988 134 S CA 0.956 59.230 58.200 0.124 0.000 0.944 134 S CB -0.610 62.649 63.200 0.099 0.000 0.762 134 S HN 0.678 nan 8.310 nan 0.000 0.526 135 E N 0.432 120.729 120.200 0.162 0.000 2.371 135 E HA 0.214 4.564 4.350 -0.000 0.000 0.194 135 E C -0.158 176.473 176.600 0.053 0.000 1.012 135 E CA -0.149 56.376 56.400 0.207 0.000 0.860 135 E CB -0.085 29.852 29.700 0.395 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.980 123.046 121.223 -0.262 0.000 2.513 136 L HA -0.042 4.298 4.340 -0.000 0.000 0.272 136 L C 1.772 178.517 176.870 -0.209 0.000 1.187 136 L CA 0.124 54.637 54.840 -0.544 0.000 0.895 136 L CB 0.732 42.434 42.059 -0.595 0.000 1.147 136 L HN 0.169 nan 8.230 nan 0.000 0.483 137 T N -1.883 112.574 114.554 -0.162 0.000 2.985 137 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 137 T C 0.432 175.091 174.700 -0.068 0.000 1.076 137 T CA 0.321 62.379 62.100 -0.071 0.000 1.135 137 T CB 0.121 68.970 68.868 -0.032 0.000 0.890 137 T HN 0.512 nan 8.240 nan 0.000 0.480 138 D N 0.780 121.124 120.400 -0.094 0.000 2.736 138 D HA 0.310 4.950 4.640 -0.000 0.000 0.243 138 D C 0.250 176.513 176.300 -0.063 0.000 1.304 138 D CA -0.687 53.279 54.000 -0.057 0.000 0.934 138 D CB 2.236 43.011 40.800 -0.041 0.000 1.382 138 D HN 0.097 nan 8.370 nan 0.000 0.571 139 V N 1.407 121.318 119.914 -0.006 0.000 3.319 139 V HA 0.299 4.419 4.120 -0.000 0.000 0.317 139 V C 0.776 176.943 176.094 0.121 0.000 1.411 139 V CA -0.026 62.289 62.300 0.024 0.000 1.112 139 V CB -0.487 31.384 31.823 0.079 0.000 1.031 139 V HN 0.453 nan 8.190 nan 0.000 0.448 140 S N -0.685 115.080 115.700 0.108 0.000 2.584 140 S HA 0.243 4.713 4.470 -0.000 0.000 0.270 140 S C 0.869 175.547 174.600 0.129 0.000 1.346 140 S CA 0.259 58.545 58.200 0.142 0.000 1.018 140 S CB 0.606 63.855 63.200 0.082 0.000 0.899 140 S HN 0.474 nan 8.310 nan 0.000 0.542 141 Y N 2.762 123.088 120.300 0.043 0.000 2.062 141 Y HA -0.320 4.230 4.550 -0.000 0.000 0.276 141 Y C 2.105 178.013 175.900 0.015 0.000 1.189 141 Y CA 2.722 60.836 58.100 0.023 0.000 1.130 141 Y CB -0.529 37.934 38.460 0.006 0.000 0.959 141 Y HN 0.723 nan 8.280 nan 0.000 0.499 142 N N -0.227 118.559 118.700 0.145 0.000 2.216 142 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 142 N C 2.027 177.523 175.510 -0.024 0.000 1.017 142 N CA 1.302 54.381 53.050 0.048 0.000 0.861 142 N CB -0.996 37.555 38.487 0.106 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.689 110.486 108.800 -0.006 0.000 2.422 143 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 143 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 143 G C 1.664 176.532 174.900 -0.052 0.000 1.140 143 G CA 0.152 45.238 45.100 -0.022 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.149 121.326 121.223 -0.077 0.000 2.064 144 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 144 L C 2.933 179.754 176.870 -0.081 0.000 1.077 144 L CA 1.163 55.944 54.840 -0.098 0.000 0.766 144 L CB -0.443 41.533 42.059 -0.137 0.000 0.890 144 L HN 0.213 nan 8.230 nan 0.000 0.435 145 M N -0.603 118.943 119.600 -0.089 0.000 2.530 145 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 145 M C 1.719 177.996 176.300 -0.039 0.000 1.067 145 M CA 1.282 56.540 55.300 -0.071 0.000 1.071 145 M CB -0.962 31.594 32.600 -0.074 0.000 1.405 145 M HN 0.296 nan 8.290 nan 0.000 0.478 146 S N -1.142 114.542 115.700 -0.028 0.000 2.593 146 S HA 0.415 4.885 4.470 -0.000 0.000 0.236 146 S C 1.640 176.251 174.600 0.018 0.000 0.991 146 S CA 0.180 58.376 58.200 -0.007 0.000 0.963 146 S CB 0.029 63.225 63.200 -0.007 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.919 124.753 122.820 0.023 0.000 2.015 147 A HA 0.170 4.490 4.320 -0.000 0.000 0.219 147 A C 1.212 178.915 177.584 0.198 0.000 1.163 147 A CA 1.006 53.104 52.037 0.102 0.000 0.646 147 A CB -0.422 18.610 19.000 0.053 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.719 110.894 114.554 0.098 0.000 2.906 148 T HA 0.628 4.978 4.350 -0.000 0.000 0.295 148 T C 0.663 175.372 174.700 0.015 0.000 1.075 148 T CA -0.137 61.997 62.100 0.055 0.000 1.005 148 T CB 1.876 70.757 68.868 0.021 0.000 1.136 148 T HN 0.302 nan 8.240 nan 0.000 0.498 149 A N 0.744 123.563 122.820 -0.001 0.000 2.132 149 A HA 0.212 4.532 4.320 -0.000 0.000 0.213 149 A C 0.716 178.282 177.584 -0.031 0.000 1.154 149 A CA -0.057 51.971 52.037 -0.015 0.000 0.753 149 A CB -0.726 18.265 19.000 -0.015 0.000 0.826 149 A HN 0.846 nan 8.150 nan 0.000 0.469 150 N N 0.475 119.152 118.700 -0.039 0.000 2.416 150 N HA 0.164 4.904 4.740 -0.000 0.000 0.265 150 N C 0.665 176.131 175.510 -0.073 0.000 1.195 150 N CA -0.396 52.619 53.050 -0.058 0.000 0.943 150 N CB 0.877 39.324 38.487 -0.067 0.000 1.115 150 N HN 0.255 nan 8.380 nan 0.000 0.481 151 I N 2.831 123.353 120.570 -0.079 0.000 2.454 151 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 151 I C 1.065 177.100 176.117 -0.137 0.000 1.156 151 I CA 1.380 62.623 61.300 -0.093 0.000 1.433 151 I CB -0.088 37.862 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.447 119.050 118.700 -0.161 0.000 2.314 152 N HA 0.012 4.752 4.740 -0.000 0.000 0.200 152 N C 0.194 175.564 175.510 -0.233 0.000 1.135 152 N CA 0.376 53.282 53.050 -0.241 0.000 0.835 152 N CB 0.049 38.379 38.487 -0.261 0.000 0.989 152 N HN 0.411 nan 8.380 nan 0.000 0.478 153 D N 0.332 120.638 120.400 -0.156 0.000 2.479 153 D HA 0.078 4.718 4.640 -0.000 0.000 0.218 153 D C 0.086 176.333 176.300 -0.089 0.000 1.177 153 D CA 0.211 54.140 54.000 -0.118 0.000 0.830 153 D CB 0.874 41.628 40.800 -0.078 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.079 120.257 120.400 -0.107 0.000 2.502 154 K HA 0.661 4.981 4.320 -0.000 0.000 0.257 154 K C -1.432 175.109 176.600 -0.098 0.000 0.938 154 K CA -0.895 55.342 56.287 -0.084 0.000 0.819 154 K CB 2.657 35.117 32.500 -0.066 0.000 1.333 154 K HN -0.177 nan 8.250 nan 0.000 0.434 155 I N 0.677 121.201 120.570 -0.077 0.000 2.656 155 I HA 0.529 4.699 4.170 -0.000 0.000 0.292 155 I C -1.221 174.866 176.117 -0.049 0.000 1.144 155 I CA -0.089 61.175 61.300 -0.061 0.000 1.038 155 I CB 2.463 40.435 38.000 -0.046 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.223 113.003 108.800 -0.033 0.000 2.530 156 G HA2 0.424 4.383 3.960 -0.000 0.000 0.316 156 G HA3 0.424 4.383 3.960 -0.000 0.000 0.316 156 G C -0.515 174.401 174.900 0.026 0.000 1.298 156 G CA -0.464 44.619 45.100 -0.028 0.000 0.948 156 G HN 0.677 nan 8.290 nan 0.000 0.486 157 N N -0.209 118.532 118.700 0.070 0.000 2.738 157 N HA -0.167 4.572 4.740 -0.000 0.000 0.249 157 N C 0.322 175.897 175.510 0.109 0.000 1.047 157 N CA 0.666 53.800 53.050 0.140 0.000 0.707 157 N CB -1.067 37.496 38.487 0.127 0.000 0.937 157 N HN 0.417 nan 8.380 nan 0.000 0.545 158 V N 1.143 121.121 119.914 0.106 0.000 2.555 158 V HA 0.105 4.225 4.120 -0.000 0.000 0.286 158 V C 1.459 177.618 176.094 0.108 0.000 1.044 158 V CA -0.509 61.849 62.300 0.097 0.000 1.026 158 V CB 0.991 32.871 31.823 0.095 0.000 0.981 158 V HN 0.172 nan 8.190 nan 0.000 0.480 159 L N 4.757 126.032 121.223 0.087 0.000 2.490 159 L HA 0.057 4.397 4.340 -0.000 0.000 0.274 159 L C 1.463 178.379 176.870 0.077 0.000 1.201 159 L CA -0.037 54.849 54.840 0.077 0.000 0.869 159 L CB 0.585 42.680 42.059 0.059 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.412 123.370 119.914 0.074 0.000 2.407 160 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 160 V C 2.268 178.384 176.094 0.036 0.000 1.055 160 V CA 2.163 64.499 62.300 0.059 0.000 1.049 160 V CB -0.720 31.131 31.823 0.046 0.000 0.662 160 V HN 1.116 nan 8.190 nan 0.000 0.455 161 G N -0.690 108.130 108.800 0.033 0.000 2.422 161 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 161 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 161 G C 1.555 176.474 174.900 0.032 0.000 1.146 161 G CA 0.972 46.087 45.100 0.025 0.000 0.769 161 G HN 0.575 nan 8.290 nan 0.000 0.547 162 E N 0.109 120.335 120.200 0.043 0.000 2.051 162 E HA 0.271 4.621 4.350 -0.000 0.000 0.189 162 E C 1.343 177.977 176.600 0.056 0.000 0.979 162 E CA 0.791 57.222 56.400 0.051 0.000 0.803 162 E CB -0.114 29.622 29.700 0.060 0.000 0.761 162 E HN 0.474 nan 8.360 nan 0.000 0.451 163 G N -0.079 108.759 108.800 0.063 0.000 2.712 163 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.683 163 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.683 163 G C -0.954 173.995 174.900 0.081 0.000 1.320 163 G CA -0.312 44.827 45.100 0.065 0.000 0.847 163 G HN 0.286 nan 8.290 nan 0.000 0.553 164 V N 0.225 120.187 119.914 0.080 0.000 2.769 164 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 164 V C 0.346 176.467 176.094 0.046 0.000 1.061 164 V CA -0.101 62.253 62.300 0.090 0.000 0.931 164 V CB 2.358 34.244 31.823 0.104 0.000 1.010 164 V HN 1.165 nan 8.190 nan 0.000 0.433 165 T N 3.653 118.229 114.554 0.037 0.000 2.792 165 T HA 0.525 4.875 4.350 -0.000 0.000 0.280 165 T C -0.588 174.078 174.700 -0.057 0.000 0.990 165 T CA -0.310 61.719 62.100 -0.119 0.000 0.960 165 T CB 1.465 70.088 68.868 -0.408 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.726 124.548 119.914 -0.153 0.000 2.383 166 V HA 0.488 4.608 4.120 -0.000 0.000 0.275 166 V C -0.367 175.622 176.094 -0.176 0.000 1.036 166 V CA -0.747 61.473 62.300 -0.133 0.000 0.889 166 V CB 1.233 32.894 31.823 -0.271 0.000 0.985 166 V HN 0.651 nan 8.190 nan 0.000 0.459 167 L N 4.908 126.101 121.223 -0.049 0.000 2.333 167 L HA 0.592 4.932 4.340 -0.000 0.000 0.280 167 L C 0.222 177.083 176.870 -0.015 0.000 1.004 167 L CA 0.238 55.050 54.840 -0.045 0.000 0.820 167 L CB 2.049 44.167 42.059 0.098 0.000 1.247 167 L HN 0.631 nan 8.230 nan 0.000 0.416 168 S N 5.982 121.659 115.700 -0.038 0.000 2.448 168 S HA 0.538 5.008 4.470 -0.000 0.000 0.279 168 S C -0.413 174.188 174.600 0.001 0.000 1.195 168 S CA -0.519 57.670 58.200 -0.017 0.000 1.051 168 S CB -0.299 62.889 63.200 -0.020 0.000 0.948 168 S HN 0.606 nan 8.310 nan 0.000 0.493 169 L N 6.472 127.693 121.223 -0.003 0.000 2.331 169 L HA 0.570 4.910 4.340 -0.000 0.000 0.275 169 L C -1.756 175.087 176.870 -0.044 0.000 1.022 169 L CA -2.358 52.477 54.840 -0.008 0.000 0.812 169 L CB 1.517 43.567 42.059 -0.016 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.089 nan 4.420 nan 0.000 0.271 170 P C -0.582 176.574 177.300 -0.241 0.000 1.218 170 P CA -0.209 62.751 63.100 -0.234 0.000 0.780 170 P CB 0.683 32.047 31.700 -0.560 0.000 0.901 171 T N -2.132 112.270 114.554 -0.252 0.000 3.331 171 T HA 0.493 4.842 4.350 -0.000 0.000 0.381 171 T C -0.267 174.267 174.700 -0.276 0.000 1.656 171 T CA -0.681 61.289 62.100 -0.217 0.000 1.453 171 T CB -0.785 67.996 68.868 -0.146 0.000 1.066 171 T HN 0.625 nan 8.240 nan 0.000 0.655 172 S N 1.320 116.815 115.700 -0.340 0.000 2.912 172 S HA -0.103 4.367 4.470 -0.000 0.000 0.857 172 S C -0.771 173.573 174.600 -0.427 0.000 0.919 172 S CA -0.678 57.336 58.200 -0.310 0.000 1.424 172 S CB -1.030 62.038 63.200 -0.220 0.000 1.019 172 S HN 0.718 nan 8.310 nan 0.000 0.231 173 Y N 2.110 122.377 120.300 -0.054 0.000 2.645 173 Y HA 0.461 5.011 4.550 -0.000 0.000 0.341 173 Y C 1.334 177.196 175.900 -0.063 0.000 1.234 173 Y CA -0.245 57.819 58.100 -0.059 0.000 1.352 173 Y CB 0.425 38.851 38.460 -0.056 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.741 121.235 120.400 0.156 0.000 2.737 174 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 174 D C -1.058 175.269 176.300 0.045 0.000 1.155 174 D CA 0.757 54.799 54.000 0.070 0.000 0.667 174 D CB -1.112 39.719 40.800 0.052 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.111 121.135 121.223 0.037 0.000 2.417 175 L HA 0.402 4.742 4.340 -0.000 0.000 0.268 175 L C 1.827 178.776 176.870 0.132 0.000 1.158 175 L CA -0.133 54.718 54.840 0.018 0.000 0.819 175 L CB 0.841 42.853 42.059 -0.078 0.000 1.112 175 L HN 0.033 nan 8.230 nan 0.000 0.458 176 G N 0.575 109.521 108.800 0.243 0.000 2.606 176 G HA2 0.172 4.132 3.960 -0.000 0.000 0.252 176 G HA3 0.172 4.132 3.960 -0.000 0.000 0.252 176 G C -0.873 174.186 174.900 0.264 0.000 1.206 176 G CA -0.338 44.923 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.481 119.885 120.300 0.110 0.000 2.511 177 Y HA 0.231 4.781 4.550 -0.000 0.000 0.332 177 Y C 0.893 176.852 175.900 0.098 0.000 1.177 177 Y CA 0.215 58.378 58.100 0.105 0.000 1.422 177 Y CB 1.040 39.539 38.460 0.065 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.369 125.323 119.914 0.067 0.000 2.439 178 V HA 0.311 4.431 4.120 -0.000 0.000 0.282 178 V C 0.144 176.241 176.094 0.004 0.000 1.039 178 V CA -1.198 61.013 62.300 -0.148 0.000 0.913 178 V CB 1.362 32.864 31.823 -0.535 0.000 0.983 178 V HN 0.635 nan 8.190 nan 0.000 0.460 179 R N 3.848 124.308 120.500 -0.066 0.000 2.401 179 R HA 0.360 4.700 4.340 -0.000 0.000 0.299 179 R C -0.431 175.736 176.300 -0.223 0.000 1.064 179 R CA -0.311 55.599 56.100 -0.316 0.000 1.000 179 R CB 0.291 30.370 30.300 -0.369 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.130 123.224 121.223 -0.214 0.000 2.479 180 L HA 0.240 4.580 4.340 -0.000 0.000 0.248 180 L C 1.492 178.305 176.870 -0.095 0.000 1.205 180 L CA -0.108 54.663 54.840 -0.114 0.000 0.817 180 L CB 0.559 42.577 42.059 -0.069 0.000 1.162 180 L HN 0.802 nan 8.230 nan 0.000 0.486 181 G N 0.219 108.999 108.800 -0.033 0.000 3.455 181 G HA2 0.040 4.000 3.960 -0.000 0.000 0.250 181 G HA3 0.040 4.000 3.960 -0.000 0.000 0.250 181 G C -0.058 174.821 174.900 -0.036 0.000 1.071 181 G CA -0.406 44.678 45.100 -0.027 0.000 1.812 181 G HN 0.708 nan 8.290 nan 0.000 0.643 182 D N 1.121 121.481 120.400 -0.067 0.000 2.382 182 D HA 0.136 4.776 4.640 -0.000 0.000 0.245 182 D C -2.473 173.798 176.300 -0.049 0.000 1.120 182 D CA -1.554 52.411 54.000 -0.058 0.000 0.890 182 D CB 1.876 42.626 40.800 -0.082 0.000 1.201 182 D HN 0.070 nan 8.370 nan 0.000 0.433 183 P HA 0.153 nan 4.420 nan 0.000 0.268 183 P C -0.447 176.833 177.300 -0.033 0.000 1.205 183 P CA -0.411 62.672 63.100 -0.028 0.000 0.771 183 P CB 0.832 32.519 31.700 -0.021 0.000 0.858 184 I N 5.025 125.578 120.570 -0.028 0.000 2.562 184 I HA 0.407 4.577 4.170 -0.000 0.000 0.301 184 I C -2.235 173.871 176.117 -0.019 0.000 1.003 184 I CA -3.102 58.182 61.300 -0.027 0.000 1.127 184 I CB 1.247 39.230 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.439 nan 4.420 nan 0.000 0.267 185 P C -1.553 175.741 177.300 -0.011 0.000 1.209 185 P CA -0.157 62.934 63.100 -0.013 0.000 0.763 185 P CB 0.485 32.178 31.700 -0.012 0.000 0.816 186 A N 3.446 126.260 122.820 -0.010 0.000 2.566 186 A HA 0.691 5.011 4.320 -0.000 0.000 0.297 186 A C -0.799 176.781 177.584 -0.007 0.000 1.059 186 A CA -0.692 51.340 52.037 -0.008 0.000 0.691 186 A CB 0.972 19.966 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.539 120.028 120.570 -0.006 0.000 2.603 187 I HA 1.008 5.178 4.170 -0.000 0.000 0.300 187 I C 0.118 176.232 176.117 -0.004 0.000 1.017 187 I CA -0.870 60.427 61.300 -0.005 0.000 1.098 187 I CB 2.441 40.439 38.000 -0.004 0.000 1.279 187 I HN 0.979 nan 8.210 nan 0.000 0.437 188 G N 3.794 112.592 108.800 -0.003 0.000 2.673 188 G HA2 0.414 4.374 3.960 -0.000 0.000 0.292 188 G HA3 0.414 4.374 3.960 -0.000 0.000 0.292 188 G C -0.205 174.693 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.351 120.871 121.223 -0.002 0.000 2.201 189 L HA 0.054 4.394 4.340 -0.000 0.000 0.212 189 L C 0.830 177.699 176.870 -0.002 0.000 1.105 189 L CA 0.700 55.539 54.840 -0.002 0.000 0.775 189 L CB 0.081 42.139 42.059 -0.002 0.000 0.913 189 L HN 0.381 nan 8.230 nan 0.000 0.440 190 D N -0.295 120.104 120.400 -0.001 0.000 2.295 190 D HA 0.115 4.755 4.640 -0.000 0.000 0.248 190 D C -1.532 174.768 176.300 -0.000 0.000 1.154 190 D CA -2.007 51.992 54.000 -0.001 0.000 0.857 190 D CB 1.757 42.556 40.800 -0.001 0.000 1.117 190 D HN -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.143 nan 4.420 nan 0.000 0.216 191 P C 0.481 177.782 177.300 0.002 0.000 1.154 191 P CA 1.343 64.444 63.100 0.001 0.000 0.865 191 P CB 0.264 31.966 31.700 0.002 0.000 0.789 192 K N -1.401 119.001 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 -0.000 0.000 0.199 192 K C 0.754 177.356 176.600 0.003 0.000 1.028 192 K CA -0.245 56.044 56.287 0.004 0.000 1.164 192 K CB -0.298 32.205 32.500 0.004 0.000 0.877 192 K HN 0.195 nan 8.250 nan 0.000 0.508 193 M N 1.952 121.553 119.600 0.001 0.000 2.219 193 M HA 0.086 4.566 4.480 -0.000 0.000 0.353 193 M C -1.063 175.237 176.300 -0.000 0.000 1.304 193 M CA 0.340 55.640 55.300 -0.000 0.000 1.115 193 M CB 0.696 33.295 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.646 124.559 119.914 -0.001 0.000 2.623 194 V HA 0.730 4.850 4.120 -0.000 0.000 0.304 194 V C -0.695 175.397 176.094 -0.005 0.000 1.054 194 V CA -0.835 61.464 62.300 -0.001 0.000 0.882 194 V CB 1.701 33.525 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.424 126.239 122.820 -0.009 0.000 2.357 195 A HA 0.914 5.234 4.320 -0.000 0.000 0.295 195 A C -0.127 177.445 177.584 -0.020 0.000 1.121 195 A CA -0.280 51.749 52.037 -0.014 0.000 0.742 195 A CB 1.510 20.502 19.000 -0.014 0.000 1.181 195 A HN 0.947 nan 8.150 nan 0.000 0.454 196 T N -1.923 112.616 114.554 -0.025 0.000 2.907 196 T HA 0.611 4.961 4.350 -0.000 0.000 0.290 196 T C -0.645 174.025 174.700 -0.050 0.000 1.066 196 T CA -0.794 61.286 62.100 -0.034 0.000 1.012 196 T CB 1.464 70.315 68.868 -0.027 0.000 1.184 196 T HN 1.052 nan 8.240 nan 0.000 0.522 197 C N 2.295 121.555 119.300 -0.067 0.000 2.293 197 C HA 0.646 5.106 4.460 -0.000 0.000 0.323 197 C C -0.855 174.074 174.990 -0.100 0.000 1.240 197 C CA -0.478 58.489 59.018 -0.085 0.000 1.497 197 C CB -1.031 26.651 27.740 -0.095 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.922 123.264 120.400 -0.097 0.000 2.277 198 D HA 0.308 4.948 4.640 -0.000 0.000 0.250 198 D C -0.052 176.200 176.300 -0.080 0.000 1.032 198 D CA 0.004 53.956 54.000 -0.080 0.000 0.947 198 D CB 1.568 42.326 40.800 -0.069 0.000 1.159 198 D HN 0.552 nan 8.370 nan 0.000 0.460 199 S N 0.046 115.708 115.700 -0.064 0.000 2.629 199 S HA 0.117 4.587 4.470 -0.000 0.000 0.302 199 S C 1.065 175.661 174.600 -0.006 0.000 1.244 199 S CA -0.111 58.045 58.200 -0.073 0.000 1.098 199 S CB 0.141 63.277 63.200 -0.105 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.245 116.944 115.700 -0.002 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 200 S C -0.364 174.281 174.600 0.074 0.000 1.082 200 S CA -0.533 57.696 58.200 0.049 0.000 0.836 200 S CB -0.444 62.752 63.200 -0.006 0.000 0.834 200 S HN 0.571 nan 8.310 nan 0.000 0.457 201 D N 3.441 123.877 120.400 0.061 0.000 2.525 201 D HA 0.246 4.886 4.640 -0.000 0.000 0.235 201 D C 0.109 176.480 176.300 0.119 0.000 1.137 201 D CA 0.612 54.667 54.000 0.092 0.000 0.868 201 D CB -0.052 40.817 40.800 0.115 0.000 1.180 201 D HN 0.174 nan 8.370 nan 0.000 0.465 202 R N -0.416 120.147 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 -0.000 0.000 0.258 202 R C -2.484 173.861 176.300 0.075 0.000 0.968 202 R CA -0.032 56.124 56.100 0.094 0.000 0.656 202 R CB -1.841 28.546 30.300 0.145 0.000 1.251 202 R HN 0.452 nan 8.270 nan 0.000 0.428 203 P HA 0.089 nan 4.420 nan 0.000 0.272 203 P C -0.280 177.007 177.300 -0.022 0.000 1.230 203 P CA -0.131 62.990 63.100 0.036 0.000 0.788 203 P CB 0.743 32.472 31.700 0.050 0.000 0.949 204 R N 1.179 121.640 120.500 -0.064 0.000 2.407 204 R HA 0.522 4.862 4.340 -0.000 0.000 0.303 204 R C -1.367 174.808 176.300 -0.209 0.000 0.981 204 R CA -0.733 55.271 56.100 -0.160 0.000 0.905 204 R CB 0.893 31.081 30.300 -0.187 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.455 125.210 119.914 -0.266 0.000 2.487 205 V HA 0.364 4.484 4.120 -0.000 0.000 0.298 205 V C -1.209 174.709 176.094 -0.293 0.000 1.028 205 V CA -0.704 61.476 62.300 -0.199 0.000 0.860 205 V CB 1.475 33.238 31.823 -0.099 0.000 0.991 205 V HN 0.689 nan 8.190 nan 0.000 0.427 206 Y N 1.819 122.099 120.300 -0.034 0.000 2.342 206 Y HA 0.601 5.151 4.550 -0.000 0.000 0.334 206 Y C 0.757 176.619 175.900 -0.064 0.000 1.067 206 Y CA -0.517 57.559 58.100 -0.040 0.000 1.128 206 Y CB 2.033 40.475 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.160 119.759 114.554 0.075 0.000 2.786 207 T HA 0.578 4.928 4.350 -0.000 0.000 0.283 207 T C -0.578 174.075 174.700 -0.077 0.000 0.992 207 T CA -0.522 61.566 62.100 -0.020 0.000 0.954 207 T CB 0.326 69.172 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.885 123.349 120.570 -0.177 0.000 2.411 208 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 208 I C 0.243 176.150 176.117 -0.351 0.000 1.012 208 I CA -0.640 60.462 61.300 -0.331 0.000 1.119 208 I CB 1.720 39.364 38.000 -0.593 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.777 120.173 114.554 -0.262 0.000 2.863 209 T HA 0.209 4.559 4.350 -0.000 0.000 0.299 209 T C 1.204 175.751 174.700 -0.255 0.000 0.973 209 T CA -0.240 61.734 62.100 -0.211 0.000 0.994 209 T CB 1.088 69.882 68.868 -0.123 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.917 125.552 122.820 -0.308 0.000 2.014 210 A HA 0.565 4.885 4.320 -0.000 0.000 0.218 210 A C 1.211 178.760 177.584 -0.059 0.000 1.163 210 A CA 0.581 52.465 52.037 -0.254 0.000 0.652 210 A CB 0.109 19.032 19.000 -0.128 0.000 0.808 210 A HN 0.893 nan 8.150 nan 0.000 0.449 211 A N -0.850 121.944 122.820 -0.043 0.000 2.540 211 A HA 0.542 4.862 4.320 -0.000 0.000 0.297 211 A C -2.004 175.597 177.584 0.029 0.000 1.056 211 A CA -0.352 51.711 52.037 0.044 0.000 0.700 211 A CB 1.037 20.106 19.000 0.115 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.170 122.614 120.400 0.072 0.000 2.375 212 D HA 0.431 5.071 4.640 -0.000 0.000 0.259 212 D C -0.781 175.571 176.300 0.086 0.000 1.235 212 D CA 0.254 54.285 54.000 0.051 0.000 0.924 212 D CB 0.463 41.280 40.800 0.028 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.075 122.525 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 -0.000 0.000 0.235 213 D C -0.498 175.884 176.300 0.136 0.000 1.160 213 D CA 0.578 54.634 54.000 0.094 0.000 0.645 213 D CB -1.801 39.032 40.800 0.055 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.312 121.671 120.300 0.098 0.000 2.537 214 Y HA 0.138 4.688 4.550 -0.000 0.000 0.339 214 Y C 0.502 176.492 175.900 0.150 0.000 1.066 214 Y CA -0.099 58.076 58.100 0.125 0.000 1.357 214 Y CB 0.517 39.078 38.460 0.169 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.373 126.784 119.800 -0.649 0.000 2.288 215 Q HA 0.159 4.499 4.340 -0.000 0.000 0.258 215 Q C -1.199 174.199 176.000 -1.003 0.000 0.957 215 Q CA -0.262 55.194 55.803 -0.578 0.000 0.919 215 Q CB 1.485 30.015 28.738 -0.346 0.000 1.185 215 Q HN 0.753 nan 8.270 nan 0.000 0.408 216 F N 1.200 120.608 119.950 -0.903 0.000 2.469 216 F HA 0.511 5.038 4.527 -0.000 0.000 0.332 216 F C -0.590 174.847 175.800 -0.604 0.000 1.103 216 F CA -0.516 56.932 58.000 -0.920 0.000 0.979 216 F CB 1.784 39.742 39.000 -1.735 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.049 118.990 115.700 -1.265 0.000 2.603 217 S HA 0.671 5.141 4.470 -0.000 0.000 0.274 217 S C -1.459 172.596 174.600 -0.908 0.000 1.168 217 S CA -0.387 57.295 58.200 -0.864 0.000 0.963 217 S CB 1.233 64.164 63.200 -0.448 0.000 1.078 217 S HN 0.951 nan 8.310 nan 0.000 0.477 218 S N 2.785 118.102 115.700 -0.639 0.000 2.565 218 S HA 0.402 4.872 4.470 -0.000 0.000 0.274 218 S C -1.829 172.698 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.436 64.406 63.200 -0.383 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.576 121.345 119.800 -0.052 0.000 2.354 219 Q HA 0.207 4.547 4.340 -0.000 0.000 0.244 219 Q C -0.734 175.323 176.000 0.096 0.000 0.969 219 Q CA -0.217 55.603 55.803 0.028 0.000 0.885 219 Q CB 0.512 29.259 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.805 122.122 120.300 0.029 0.000 2.788 220 Y HA -0.075 4.475 4.550 -0.000 0.000 0.341 220 Y C -0.491 175.436 175.900 0.045 0.000 1.258 220 Y CA 0.632 58.761 58.100 0.049 0.000 1.503 220 Y CB 0.468 38.953 38.460 0.041 0.000 1.325 220 Y HN 0.480 nan 8.280 nan 0.000 0.614 221 Q N 6.933 126.228 119.800 -0.842 0.000 2.268 221 Q HA 0.419 4.759 4.340 -0.000 0.000 0.266 221 Q C -2.965 172.463 176.000 -0.953 0.000 1.006 221 Q CA -2.546 52.785 55.803 -0.787 0.000 0.824 221 Q CB 2.053 30.628 28.738 -0.272 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.151 nan 4.420 nan 0.000 0.263 222 P C 0.514 177.732 177.300 -0.137 0.000 1.195 222 P CA 1.335 64.278 63.100 -0.262 0.000 0.762 222 P CB 0.756 32.390 31.700 -0.111 0.000 0.799 223 G N 2.161 110.935 108.800 -0.044 0.000 2.268 223 G HA2 0.008 3.968 3.960 -0.000 0.000 0.240 223 G HA3 0.008 3.968 3.960 -0.000 0.000 0.240 223 G C 0.463 175.359 174.900 -0.007 0.000 1.010 223 G CA 0.234 45.323 45.100 -0.018 0.000 0.618 223 G HN 1.067 nan 8.290 nan 0.000 0.516 224 G N -2.280 106.501 108.800 -0.032 0.000 2.631 224 G HA2 0.320 4.280 3.960 -0.000 0.000 0.504 224 G HA3 0.320 4.280 3.960 -0.000 0.000 0.504 224 G C -0.588 174.331 174.900 0.032 0.000 1.306 224 G CA 0.084 45.197 45.100 0.023 0.000 0.897 224 G HN 1.549 nan 8.290 nan 0.000 0.520 225 V N 0.846 120.822 119.914 0.103 0.000 2.407 225 V HA 0.649 4.769 4.120 -0.000 0.000 0.291 225 V C 0.420 176.604 176.094 0.149 0.000 1.018 225 V CA -0.223 62.164 62.300 0.145 0.000 0.842 225 V CB 1.579 33.557 31.823 0.257 0.000 0.996 225 V HN 1.000 nan 8.190 nan 0.000 0.426 226 T N 6.876 121.497 114.554 0.112 0.000 2.799 226 T HA 0.726 5.076 4.350 -0.000 0.000 0.286 226 T C -0.180 174.596 174.700 0.127 0.000 0.973 226 T CA -0.083 62.076 62.100 0.098 0.000 1.035 226 T CB 0.881 69.788 68.868 0.064 0.000 0.932 226 T HN 0.649 nan 8.240 nan 0.000 0.469 227 I N -0.684 119.968 120.570 0.136 0.000 2.785 227 I HA 0.665 4.835 4.170 -0.000 0.000 0.302 227 I C -0.451 175.726 176.117 0.101 0.000 1.069 227 I CA -0.935 60.456 61.300 0.152 0.000 1.045 227 I CB 2.341 40.492 38.000 0.253 0.000 1.236 227 I HN 0.300 nan 8.210 nan 0.000 0.429 228 T N 4.962 119.554 114.554 0.064 0.000 2.832 228 T HA 0.242 4.592 4.350 -0.000 0.000 0.313 228 T C 0.732 175.440 174.700 0.014 0.000 1.035 228 T CA -0.272 61.834 62.100 0.010 0.000 0.950 228 T CB 1.056 69.906 68.868 -0.030 0.000 0.984 228 T HN 0.593 nan 8.240 nan 0.000 0.486 229 L N 4.513 125.750 121.223 0.024 0.000 2.046 229 L HA 0.239 4.579 4.340 -0.000 0.000 0.208 229 L C 0.214 177.155 176.870 0.118 0.000 1.077 229 L CA 1.759 56.642 54.840 0.072 0.000 0.747 229 L CB -0.279 41.893 42.059 0.189 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.298 116.647 119.950 -0.008 0.000 2.713 230 F HA 0.651 5.178 4.527 -0.000 0.000 0.311 230 F C -0.723 175.071 175.800 -0.011 0.000 1.141 230 F CA -0.904 57.080 58.000 -0.028 0.000 0.939 230 F CB 0.735 39.709 39.000 -0.044 0.000 1.325 230 F HN -0.305 nan 8.300 nan 0.000 0.453 231 S N 1.153 116.974 115.700 0.203 0.000 2.575 231 S HA 0.894 5.364 4.470 -0.000 0.000 0.278 231 S C -1.528 173.196 174.600 0.206 0.000 1.139 231 S CA 0.092 58.350 58.200 0.096 0.000 0.954 231 S CB 1.264 64.465 63.200 0.001 0.000 1.054 231 S HN 1.685 nan 8.310 nan 0.000 0.483 232 A N 3.853 126.777 122.820 0.173 0.000 2.488 232 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 232 A C -1.195 176.375 177.584 -0.022 0.000 1.044 232 A CA -0.887 51.198 52.037 0.080 0.000 0.693 232 A CB 1.067 20.113 19.000 0.077 0.000 1.272 232 A HN 0.714 nan 8.150 nan 0.000 0.402 233 N N 1.471 120.140 118.700 -0.051 0.000 2.442 233 N HA 0.524 5.264 4.740 -0.000 0.000 0.265 233 N C -0.213 175.164 175.510 -0.220 0.000 1.138 233 N CA 0.278 53.282 53.050 -0.077 0.000 0.956 233 N CB 0.497 38.973 38.487 -0.018 0.000 1.067 233 N HN 0.743 nan 8.380 nan 0.000 0.474 234 I N -2.150 118.266 120.570 -0.257 0.000 3.264 234 I HA 0.616 4.786 4.170 -0.000 0.000 0.315 234 I C -1.043 175.022 176.117 -0.087 0.000 1.154 234 I CA -0.964 60.039 61.300 -0.494 0.000 0.962 234 I CB 2.663 40.201 38.000 -0.769 0.000 1.265 234 I HN 0.026 nan 8.210 nan 0.000 0.463 235 D N 2.063 122.522 120.400 0.097 0.000 2.646 235 D HA 0.720 5.360 4.640 -0.000 0.000 0.245 235 D C -1.168 175.217 176.300 0.141 0.000 1.099 235 D CA -0.225 53.862 54.000 0.145 0.000 0.849 235 D CB 2.396 43.313 40.800 0.194 0.000 1.448 235 D HN 0.903 nan 8.370 nan 0.000 0.489 236 A N 1.998 124.866 122.820 0.081 0.000 2.517 236 A HA 0.526 4.846 4.320 -0.000 0.000 0.297 236 A C -0.207 177.381 177.584 0.006 0.000 1.050 236 A CA -0.516 51.554 52.037 0.055 0.000 0.694 236 A CB 0.914 19.947 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.521 121.079 120.570 -0.021 0.000 4.124 237 I HA 0.118 4.288 4.170 -0.000 0.000 0.311 237 I C 1.268 177.374 176.117 -0.019 0.000 1.259 237 I CA 1.073 62.321 61.300 -0.087 0.000 1.315 237 I CB 0.662 38.513 38.000 -0.249 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.446 113.136 114.554 0.046 0.000 2.762 238 T HA 0.409 4.759 4.350 -0.000 0.000 0.272 238 T C 0.324 175.075 174.700 0.085 0.000 0.982 238 T CA -0.489 61.657 62.100 0.076 0.000 1.013 238 T CB 1.153 70.096 68.868 0.124 0.000 1.309 238 T HN 0.126 nan 8.240 nan 0.000 0.572 239 S N 0.624 116.391 115.700 0.113 0.000 2.558 239 S HA 0.369 4.839 4.470 -0.000 0.000 0.291 239 S C 0.041 174.752 174.600 0.185 0.000 1.306 239 S CA -0.428 57.867 58.200 0.158 0.000 1.056 239 S CB -0.982 62.331 63.200 0.188 0.000 0.836 239 S HN 1.188 nan 8.310 nan 0.000 0.504 240 L N -0.518 120.776 121.223 0.118 0.000 2.491 240 L HA 0.950 5.290 4.340 -0.000 0.000 0.254 240 L C -0.653 176.225 176.870 0.012 0.000 1.048 240 L CA -1.006 53.803 54.840 -0.051 0.000 0.855 240 L CB 1.860 43.905 42.059 -0.024 0.000 1.466 240 L HN 0.856 nan 8.230 nan 0.000 0.409 241 S N -0.203 115.461 115.700 -0.060 0.000 2.569 241 S HA 0.889 5.359 4.470 -0.000 0.000 0.280 241 S C -1.083 173.544 174.600 0.044 0.000 1.111 241 S CA -0.685 57.545 58.200 0.049 0.000 0.887 241 S CB 1.983 65.258 63.200 0.125 0.000 1.095 241 S HN 0.664 nan 8.310 nan 0.000 0.476 242 V N 1.476 121.443 119.914 0.089 0.000 2.487 242 V HA 0.845 4.965 4.120 -0.000 0.000 0.298 242 V C 0.689 176.867 176.094 0.140 0.000 1.028 242 V CA 0.004 62.369 62.300 0.109 0.000 0.860 242 V CB 1.210 33.131 31.823 0.163 0.000 0.991 242 V HN 1.251 nan 8.190 nan 0.000 0.427 243 G N 1.776 110.632 108.800 0.093 0.000 2.714 243 G HA2 0.908 4.868 3.960 -0.000 0.000 0.292 243 G HA3 0.908 4.868 3.960 -0.000 0.000 0.292 243 G C -0.148 174.787 174.900 0.057 0.000 1.308 243 G CA -0.221 44.943 45.100 0.107 0.000 0.964 243 G HN 1.492 nan 8.290 nan 0.000 0.484 244 G N -1.140 107.710 108.800 0.084 0.000 2.373 244 G HA2 0.350 4.310 3.960 -0.000 0.000 0.634 244 G HA3 0.350 4.310 3.960 -0.000 0.000 0.634 244 G C -0.983 174.003 174.900 0.143 0.000 1.267 244 G CA 0.062 45.181 45.100 0.031 0.000 1.008 244 G HN 0.936 nan 8.290 nan 0.000 0.497 245 E N -1.153 119.097 120.200 0.084 0.000 2.354 245 E HA 0.548 4.898 4.350 -0.000 0.000 0.283 245 E C -0.956 175.700 176.600 0.094 0.000 0.938 245 E CA -0.764 55.747 56.400 0.184 0.000 0.777 245 E CB 1.567 31.333 29.700 0.111 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.956 124.288 121.223 0.181 0.000 2.322 246 L HA 0.636 4.976 4.340 -0.000 0.000 0.279 246 L C -0.662 176.152 176.870 -0.094 0.000 1.036 246 L CA -1.112 53.711 54.840 -0.030 0.000 0.807 246 L CB 1.788 43.825 42.059 -0.036 0.000 1.226 246 L HN 0.297 nan 8.230 nan 0.000 0.433 247 V N 2.574 122.329 119.914 -0.265 0.000 2.448 247 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 247 V C -0.697 175.197 176.094 -0.334 0.000 1.025 247 V CA -0.442 61.766 62.300 -0.154 0.000 0.859 247 V CB 1.627 33.414 31.823 -0.060 0.000 0.988 247 V HN 0.371 nan 8.190 nan 0.000 0.431 248 F N 4.330 124.267 119.950 -0.022 0.000 2.469 248 F HA 0.715 5.242 4.527 -0.000 0.000 0.332 248 F C 0.555 176.373 175.800 0.031 0.000 1.103 248 F CA -0.687 57.298 58.000 -0.026 0.000 0.979 248 F CB 1.693 40.579 39.000 -0.191 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.153 121.810 120.500 0.262 0.000 2.803 249 R HA 0.759 5.099 4.340 -0.000 0.000 0.276 249 R C -0.828 175.612 176.300 0.233 0.000 0.978 249 R CA -0.805 55.408 56.100 0.189 0.000 0.939 249 R CB 2.154 32.532 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.030 113.613 114.554 0.148 0.000 2.885 250 T HA 0.228 4.578 4.350 -0.000 0.000 0.322 250 T C -0.001 174.715 174.700 0.027 0.000 1.387 250 T CA -0.404 61.775 62.100 0.132 0.000 1.041 250 T CB 1.428 70.402 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.943 116.647 115.700 0.008 0.000 2.511 251 S HA 0.243 4.713 4.470 -0.000 0.000 0.214 251 S C 0.406 174.923 174.600 -0.138 0.000 0.997 251 S CA -0.124 58.041 58.200 -0.058 0.000 0.908 251 S CB 0.360 63.551 63.200 -0.015 0.000 0.803 251 S HN 0.593 nan 8.310 nan 0.000 0.504 252 V N 3.802 123.668 119.914 -0.080 0.000 2.439 252 V HA 0.296 4.416 4.120 -0.000 0.000 0.282 252 V C 0.032 176.061 176.094 -0.109 0.000 1.039 252 V CA -0.828 61.440 62.300 -0.054 0.000 0.913 252 V CB 0.633 32.486 31.823 0.049 0.000 0.983 252 V HN 0.412 nan 8.190 nan 0.000 0.460 253 H N 2.836 121.931 119.070 0.042 0.000 2.562 253 H HA 0.345 4.901 4.556 -0.000 0.000 0.352 253 H C 1.267 176.609 175.328 0.024 0.000 1.125 253 H CA 0.833 56.899 56.048 0.030 0.000 1.379 253 H CB 1.383 31.154 29.762 0.016 0.000 1.464 253 H HN 1.016 nan 8.280 nan 0.000 0.563 254 G N 2.657 111.541 108.800 0.140 0.000 2.176 254 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 254 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 254 G C 0.077 175.012 174.900 0.058 0.000 1.024 254 G CA -0.156 44.992 45.100 0.079 0.000 0.755 254 G HN 0.462 nan 8.290 nan 0.000 0.507 255 L N -0.039 121.221 121.223 0.062 0.000 2.326 255 L HA 0.579 4.919 4.340 -0.000 0.000 0.278 255 L C 0.465 177.342 176.870 0.012 0.000 1.092 255 L CA -0.822 54.058 54.840 0.067 0.000 0.810 255 L CB 1.575 43.703 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.955 124.871 119.914 0.005 0.000 2.487 256 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 256 V C 0.014 176.050 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.786 62.300 -0.047 0.000 0.860 256 V CB 2.131 33.944 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.951 125.056 121.223 -0.197 0.000 2.317 257 L HA 0.808 5.148 4.340 -0.000 0.000 0.281 257 L C 0.583 177.317 176.870 -0.226 0.000 1.024 257 L CA -0.321 54.342 54.840 -0.295 0.000 0.810 257 L CB 1.924 43.626 42.059 -0.596 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.750 110.441 108.800 -0.181 0.000 2.452 258 G HA2 0.770 4.730 3.960 -0.000 0.000 0.324 258 G HA3 0.770 4.730 3.960 -0.000 0.000 0.324 258 G C -1.391 173.424 174.900 -0.141 0.000 1.214 258 G CA -0.390 44.627 45.100 -0.138 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.149 123.888 122.820 -0.136 0.000 2.488 259 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 259 A C -0.456 177.052 177.584 -0.126 0.000 1.044 259 A CA -0.572 51.403 52.037 -0.104 0.000 0.693 259 A CB 1.860 20.800 19.000 -0.099 0.000 1.272 259 A HN 0.787 nan 8.150 nan 0.000 0.402 260 T N 2.434 116.921 114.554 -0.111 0.000 2.886 260 T HA 0.553 4.903 4.350 -0.000 0.000 0.292 260 T C -0.580 173.957 174.700 -0.271 0.000 1.012 260 T CA -0.234 61.715 62.100 -0.252 0.000 0.982 260 T CB 1.123 69.764 68.868 -0.379 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.018 123.414 120.570 -0.290 0.000 2.359 261 I HA 0.401 4.571 4.170 -0.000 0.000 0.294 261 I C -1.068 174.841 176.117 -0.346 0.000 0.987 261 I CA -0.789 60.403 61.300 -0.179 0.000 1.225 261 I CB 1.078 39.090 38.000 0.020 0.000 1.366 261 I HN 0.630 nan 8.210 nan 0.000 0.466 262 Y N 6.252 126.528 120.300 -0.040 0.000 2.364 262 Y HA 0.492 5.042 4.550 -0.000 0.000 0.340 262 Y C -0.291 175.589 175.900 -0.034 0.000 0.975 262 Y CA -0.726 57.352 58.100 -0.037 0.000 1.089 262 Y CB 1.539 39.969 38.460 -0.051 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.272 126.564 121.223 0.115 0.000 2.287 263 L HA 0.462 4.802 4.340 -0.000 0.000 0.287 263 L C -0.817 176.090 176.870 0.061 0.000 1.022 263 L CA -0.586 54.294 54.840 0.066 0.000 0.814 263 L CB 0.714 42.797 42.059 0.039 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.388 122.981 120.570 0.039 0.000 2.392 264 I HA 0.409 4.579 4.170 -0.000 0.000 0.295 264 I C 0.897 177.025 176.117 0.019 0.000 0.985 264 I CA -0.225 61.087 61.300 0.020 0.000 1.221 264 I CB 1.430 39.426 38.000 -0.008 0.000 1.366 264 I HN 0.554 nan 8.210 nan 0.000 0.467 265 G N 3.273 112.085 108.800 0.020 0.000 2.562 265 G HA2 0.186 4.146 3.960 -0.000 0.000 0.275 265 G HA3 0.186 4.146 3.960 -0.000 0.000 0.275 265 G C 0.445 175.392 174.900 0.079 0.000 1.196 265 G CA -0.345 44.786 45.100 0.051 0.000 0.908 265 G HN 0.590 nan 8.290 nan 0.000 0.524 266 F N 0.687 120.619 119.950 -0.031 0.000 2.192 266 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 266 F C 2.163 177.876 175.800 -0.144 0.000 1.079 266 F CA 2.040 59.949 58.000 -0.151 0.000 1.303 266 F CB 0.240 39.028 39.000 -0.354 0.000 1.024 266 F HN 0.437 nan 8.300 nan 0.000 0.494 267 D N -1.036 119.354 120.400 -0.016 0.000 2.319 267 D HA 0.153 4.793 4.640 -0.000 0.000 0.230 267 D C 1.783 178.054 176.300 -0.047 0.000 1.094 267 D CA 0.680 54.667 54.000 -0.023 0.000 0.856 267 D CB -0.590 40.362 40.800 0.253 0.000 0.915 267 D HN 0.400 nan 8.370 nan 0.000 0.517 268 G N -0.612 108.138 108.800 -0.082 0.000 2.179 268 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 268 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 268 G C 0.472 175.350 174.900 -0.037 0.000 0.977 268 G CA 0.489 45.545 45.100 -0.073 0.000 0.641 268 G HN 0.511 nan 8.290 nan 0.000 0.533 269 T N 1.696 116.250 114.554 -0.001 0.000 2.910 269 T HA 0.504 4.854 4.350 -0.000 0.000 0.293 269 T C 0.713 175.419 174.700 0.010 0.000 1.015 269 T CA 0.628 62.736 62.100 0.013 0.000 1.094 269 T CB 0.835 69.733 68.868 0.051 0.000 0.968 269 T HN 0.197 nan 8.240 nan 0.000 0.521 270 T N 3.634 118.197 114.554 0.015 0.000 2.769 270 T HA 0.147 4.497 4.350 -0.000 0.000 0.293 270 T C 1.467 176.195 174.700 0.045 0.000 0.931 270 T CA -0.471 61.658 62.100 0.048 0.000 1.139 270 T CB 0.687 69.608 68.868 0.088 0.000 0.881 270 T HN 0.364 nan 8.240 nan 0.000 0.532 271 V N 4.118 124.054 119.914 0.036 0.000 2.426 271 V HA 0.267 4.387 4.120 -0.000 0.000 0.242 271 V C 0.713 176.821 176.094 0.024 0.000 1.036 271 V CA 0.919 63.225 62.300 0.010 0.000 1.044 271 V CB -0.031 31.782 31.823 -0.017 0.000 0.688 271 V HN 0.723 nan 8.190 nan 0.000 0.462 272 I N -0.382 120.212 120.570 0.040 0.000 2.619 272 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 272 I C -0.583 175.550 176.117 0.026 0.000 1.100 272 I CA -0.062 61.253 61.300 0.026 0.000 1.043 272 I CB 2.442 40.450 38.000 0.012 0.000 1.239 272 I HN 0.046 nan 8.210 nan 0.000 0.420 273 T N 5.692 120.234 114.554 -0.019 0.000 2.840 273 T HA 0.577 4.927 4.350 -0.000 0.000 0.287 273 T C -1.007 173.590 174.700 -0.170 0.000 0.991 273 T CA -0.667 61.348 62.100 -0.141 0.000 0.964 273 T CB 0.693 69.521 68.868 -0.066 0.000 0.954 273 T HN 0.418 nan 8.240 nan 0.000 0.438 274 R N 3.313 123.670 120.500 -0.238 0.000 2.483 274 R HA 0.601 4.941 4.340 -0.000 0.000 0.303 274 R C -0.288 175.887 176.300 -0.209 0.000 0.987 274 R CA -0.689 55.310 56.100 -0.168 0.000 0.881 274 R CB 1.548 31.789 30.300 -0.099 0.000 1.177 274 R HN 0.847 nan 8.270 nan 0.000 0.451 275 A N 2.785 125.499 122.820 -0.176 0.000 2.491 275 A HA 0.193 4.513 4.320 -0.000 0.000 0.261 275 A C 1.082 178.559 177.584 -0.177 0.000 1.101 275 A CA -0.193 51.741 52.037 -0.172 0.000 0.772 275 A CB 0.372 19.294 19.000 -0.129 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.985 121.764 119.914 -0.223 0.000 2.949 276 V HA 0.351 4.471 4.120 -0.000 0.000 0.245 276 V C 1.107 177.015 176.094 -0.311 0.000 1.086 276 V CA 1.699 63.803 62.300 -0.327 0.000 1.097 276 V CB -0.139 31.360 31.823 -0.539 0.000 0.762 276 V HN 1.188 nan 8.190 nan 0.000 0.470 277 A N -0.271 122.403 122.820 -0.244 0.000 2.485 277 A HA 0.819 5.139 4.320 -0.000 0.000 0.285 277 A C -0.715 176.772 177.584 -0.161 0.000 1.045 277 A CA 0.209 52.127 52.037 -0.198 0.000 0.792 277 A CB 1.054 19.924 19.000 -0.217 0.000 1.307 277 A HN 0.411 nan 8.150 nan 0.000 0.406 278 A N 2.265 125.009 122.820 -0.126 0.000 2.337 278 A HA 0.790 5.110 4.320 -0.000 0.000 0.331 278 A C 0.341 177.870 177.584 -0.091 0.000 1.137 278 A CA -0.120 51.857 52.037 -0.101 0.000 0.807 278 A CB 0.319 19.271 19.000 -0.079 0.000 1.250 278 A HN 2.299 nan 8.150 nan 0.000 0.468 279 N N 1.010 119.663 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.514 4.740 -0.000 0.000 0.302 279 N C -0.900 174.562 175.510 -0.079 0.000 1.322 279 N CA 1.035 54.045 53.050 -0.066 0.000 0.687 279 N CB -0.373 38.088 38.487 -0.043 0.000 0.992 279 N HN 0.775 nan 8.380 nan 0.000 0.524 280 N N 2.525 121.165 118.700 -0.099 0.000 2.621 280 N HA 0.309 5.049 4.740 -0.000 0.000 0.271 280 N C -0.376 175.066 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.128 53.050 -0.114 0.000 0.805 280 N CB 1.013 39.404 38.487 -0.160 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.359 111.117 108.800 -0.070 0.000 2.398 281 G HA2 0.366 4.326 3.960 -0.000 0.000 0.246 281 G HA3 0.366 4.326 3.960 -0.000 0.000 0.246 281 G C -0.020 174.848 174.900 -0.054 0.000 1.289 281 G CA -0.119 44.952 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.907 123.103 121.223 -0.045 0.000 2.295 282 L HA 0.347 4.687 4.340 -0.000 0.000 0.285 282 L C 0.434 177.309 176.870 0.008 0.000 1.035 282 L CA -0.698 54.124 54.840 -0.029 0.000 0.806 282 L CB 1.727 43.763 42.059 -0.039 0.000 1.214 282 L HN 0.392 nan 8.230 nan 0.000 0.426 283 T N 0.690 115.255 114.554 0.018 0.000 2.882 283 T HA 0.221 4.571 4.350 -0.000 0.000 0.287 283 T C 0.325 175.032 174.700 0.013 0.000 0.992 283 T CA -0.459 61.659 62.100 0.030 0.000 1.076 283 T CB 1.266 70.156 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.276 116.819 114.554 -0.017 0.000 2.919 284 T HA 0.420 4.770 4.350 -0.000 0.000 0.302 284 T C 1.440 176.137 174.700 -0.005 0.000 1.031 284 T CA 0.692 62.747 62.100 -0.075 0.000 1.127 284 T CB 0.447 69.171 68.868 -0.240 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.842 111.643 108.800 0.002 0.000 2.203 285 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.263 285 G C 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.382 45.495 45.100 0.021 0.000 0.749 285 G HN 0.913 nan 8.290 nan 0.000 0.512 286 T N -0.218 114.358 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 -0.000 0.000 0.301 286 T C -0.886 173.844 174.700 0.050 0.000 1.158 286 T CA -0.845 61.278 62.100 0.039 0.000 1.007 286 T CB 1.873 70.763 68.868 0.036 0.000 1.186 286 T HN 0.073 nan 8.240 nan 0.000 0.499 287 D N 2.217 122.644 120.400 0.046 0.000 2.425 287 D HA 0.173 4.812 4.640 -0.000 0.000 0.247 287 D C -0.314 176.024 176.300 0.063 0.000 1.147 287 D CA 0.311 54.344 54.000 0.054 0.000 0.879 287 D CB 0.347 41.171 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.694 120.452 118.700 0.096 0.000 2.476 288 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 288 N C -0.598 174.996 175.510 0.140 0.000 0.970 288 N CA -0.478 52.631 53.050 0.099 0.000 0.938 288 N CB 1.283 39.826 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.732 123.010 121.223 0.091 0.000 2.326 289 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 289 L C 0.103 177.036 176.870 0.104 0.000 1.092 289 L CA -0.172 54.726 54.840 0.095 0.000 0.810 289 L CB 0.904 42.998 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.609 125.300 119.600 0.153 0.000 1.987 290 M HA 0.397 4.877 4.480 -0.000 0.000 0.298 290 M C -2.618 173.755 176.300 0.123 0.000 0.892 290 M CA -1.608 53.759 55.300 0.112 0.000 0.885 290 M CB 1.599 34.338 32.600 0.231 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.324 nan 4.420 nan 0.000 0.276 291 P C -1.355 175.954 177.300 0.014 0.000 1.244 291 P CA -0.039 63.127 63.100 0.110 0.000 0.801 291 P CB 0.506 32.234 31.700 0.047 0.000 1.006 292 F N 1.326 121.290 119.950 0.024 0.000 2.427 292 F HA 0.371 4.898 4.527 -0.000 0.000 0.348 292 F C 0.772 176.585 175.800 0.021 0.000 1.125 292 F CA -0.141 57.874 58.000 0.024 0.000 0.989 292 F CB 0.972 39.995 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.353 124.114 118.700 0.101 0.000 2.679 293 N HA 0.248 4.988 4.740 -0.000 0.000 0.302 293 N C -1.125 174.422 175.510 0.062 0.000 1.941 293 N CA -0.054 53.041 53.050 0.076 0.000 0.875 293 N CB 1.125 39.632 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.916 122.197 121.223 0.097 0.000 2.289 294 L HA 0.545 4.885 4.340 -0.000 0.000 0.285 294 L C -0.040 176.878 176.870 0.080 0.000 1.049 294 L CA -0.789 54.096 54.840 0.074 0.000 0.804 294 L CB 1.745 43.860 42.059 0.093 0.000 1.195 294 L HN -0.204 nan 8.230 nan 0.000 0.428 295 V N 4.809 124.762 119.914 0.064 0.000 2.444 295 V HA 0.396 4.516 4.120 -0.000 0.000 0.294 295 V C -0.264 175.869 176.094 0.064 0.000 1.022 295 V CA -0.377 61.971 62.300 0.081 0.000 0.850 295 V CB 2.133 34.001 31.823 0.076 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.508 129.123 120.570 0.075 0.000 2.328 296 I HA 0.425 4.595 4.170 -0.000 0.000 0.287 296 I C -2.133 174.024 176.117 0.067 0.000 1.012 296 I CA -1.873 59.461 61.300 0.057 0.000 1.195 296 I CB 1.964 39.992 38.000 0.047 0.000 1.350 296 I HN 0.439 nan 8.210 nan 0.000 0.464 297 P HA 0.142 nan 4.420 nan 0.000 0.274 297 P C 0.641 177.966 177.300 0.042 0.000 1.231 297 P CA -0.234 62.893 63.100 0.045 0.000 0.790 297 P CB 0.812 32.528 31.700 0.028 0.000 0.951 298 T N 1.051 115.631 114.554 0.044 0.000 2.653 298 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 298 T C 1.608 176.323 174.700 0.025 0.000 1.035 298 T CA 2.114 64.237 62.100 0.039 0.000 1.154 298 T CB -0.913 67.981 68.868 0.042 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.364 120.078 118.700 0.023 0.000 2.443 299 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 299 N C 1.391 176.912 175.510 0.017 0.000 1.037 299 N CA 1.003 54.065 53.050 0.020 0.000 0.896 299 N CB -0.211 38.287 38.487 0.019 0.000 0.959 299 N HN 0.510 nan 8.380 nan 0.000 0.442 300 E N 0.188 120.397 120.200 0.016 0.000 2.371 300 E HA 0.155 4.505 4.350 -0.000 0.000 0.194 300 E C 0.170 176.771 176.600 0.003 0.000 1.012 300 E CA 0.088 56.495 56.400 0.011 0.000 0.860 300 E CB 0.211 29.919 29.700 0.013 0.000 0.811 300 E HN 0.439 nan 8.360 nan 0.000 0.502 301 I N 2.354 122.924 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 -0.000 0.000 0.297 301 I C 1.397 177.487 176.117 -0.045 0.000 1.143 301 I CA -0.057 61.230 61.300 -0.021 0.000 1.271 301 I CB 0.719 38.711 38.000 -0.013 0.000 1.461 301 I HN 0.034 nan 8.210 nan 0.000 0.530 302 T N 1.607 116.121 114.554 -0.067 0.000 3.055 302 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 302 T C 0.521 175.064 174.700 -0.262 0.000 1.111 302 T CA 0.294 62.345 62.100 -0.082 0.000 1.118 302 T CB -0.076 68.770 68.868 -0.036 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.588 118.996 119.800 -0.360 0.000 2.522 303 Q HA 0.547 4.887 4.340 -0.000 0.000 0.285 303 Q C -3.483 172.391 176.000 -0.209 0.000 0.982 303 Q CA -2.554 52.907 55.803 -0.568 0.000 0.805 303 Q CB 0.810 28.731 28.738 -1.360 0.000 1.457 303 Q HN -0.121 nan 8.270 nan 0.000 0.394 304 P HA -0.019 nan 4.420 nan 0.000 0.261 304 P C -0.587 176.744 177.300 0.052 0.000 1.173 304 P CA 0.217 63.342 63.100 0.042 0.000 0.760 304 P CB 0.250 32.066 31.700 0.193 0.000 0.783 305 I N 3.150 123.742 120.570 0.036 0.000 2.441 305 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 305 I C 1.533 177.689 176.117 0.066 0.000 1.049 305 I CA 0.680 62.005 61.300 0.041 0.000 1.381 305 I CB 0.399 38.414 38.000 0.026 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.294 117.886 114.554 0.064 0.000 2.955 306 T HA 0.129 4.479 4.350 -0.000 0.000 0.251 306 T C 0.442 175.151 174.700 0.015 0.000 1.002 306 T CA 0.289 62.433 62.100 0.073 0.000 0.970 306 T CB 0.360 69.307 68.868 0.132 0.000 1.091 306 T HN 0.806 nan 8.240 nan 0.000 0.495 307 S N 0.104 115.802 115.700 -0.003 0.000 2.588 307 S HA 0.720 5.190 4.470 -0.000 0.000 0.269 307 S C -1.487 173.106 174.600 -0.012 0.000 1.157 307 S CA -0.944 57.241 58.200 -0.025 0.000 0.824 307 S CB 1.844 65.031 63.200 -0.021 0.000 1.126 307 S HN 0.273 nan 8.310 nan 0.000 0.464 308 I N 1.217 121.785 120.570 -0.003 0.000 2.545 308 I HA 0.712 4.882 4.170 -0.000 0.000 0.292 308 I C -1.329 174.776 176.117 -0.018 0.000 1.040 308 I CA -0.700 60.614 61.300 0.022 0.000 1.068 308 I CB 1.743 39.777 38.000 0.058 0.000 1.251 308 I HN 1.016 nan 8.210 nan 0.000 0.424 309 K N 6.354 126.707 120.400 -0.080 0.000 2.477 309 K HA 0.660 4.980 4.320 -0.000 0.000 0.255 309 K C -2.026 174.397 176.600 -0.295 0.000 0.952 309 K CA -0.968 55.148 56.287 -0.286 0.000 0.826 309 K CB 2.441 34.845 32.500 -0.160 0.000 1.331 309 K HN 0.468 nan 8.250 nan 0.000 0.437 310 L N 1.089 121.956 121.223 -0.595 0.000 2.349 310 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 310 L C -1.189 175.617 176.870 -0.107 0.000 0.996 310 L CA -0.004 54.658 54.840 -0.296 0.000 0.825 310 L CB 1.776 43.618 42.059 -0.361 0.000 1.243 310 L HN 0.777 nan 8.230 nan 0.000 0.412 311 E N 5.145 125.385 120.200 0.067 0.000 2.214 311 E HA 0.574 4.924 4.350 -0.000 0.000 0.274 311 E C -1.141 175.505 176.600 0.076 0.000 0.977 311 E CA -0.615 55.846 56.400 0.101 0.000 0.827 311 E CB 2.333 32.158 29.700 0.209 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.261 122.877 120.570 0.077 0.000 2.466 312 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 312 I C -0.787 175.344 176.117 0.022 0.000 1.026 312 I CA -1.006 60.312 61.300 0.030 0.000 1.078 312 I CB 1.907 39.938 38.000 0.050 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.213 124.114 119.914 -0.021 0.000 2.427 313 V HA 0.490 4.610 4.120 -0.000 0.000 0.286 313 V C 0.030 176.110 176.094 -0.023 0.000 1.034 313 V CA -0.401 61.899 62.300 -0.000 0.000 0.893 313 V CB 1.476 33.300 31.823 0.003 0.000 0.982 313 V HN 0.730 nan 8.190 nan 0.000 0.452 314 T N 3.698 118.277 114.554 0.042 0.000 2.809 314 T HA 0.658 5.008 4.350 -0.000 0.000 0.284 314 T C -0.134 174.655 174.700 0.148 0.000 0.992 314 T CA -0.517 61.642 62.100 0.098 0.000 0.957 314 T CB 1.395 70.384 68.868 0.201 0.000 0.942 314 T HN 0.934 nan 8.240 nan 0.000 0.439 315 S N 2.619 118.398 115.700 0.131 0.000 2.627 315 S HA 0.783 5.253 4.470 -0.000 0.000 0.283 315 S C -1.226 173.482 174.600 0.180 0.000 1.127 315 S CA -1.127 57.182 58.200 0.181 0.000 0.863 315 S CB 2.343 65.624 63.200 0.134 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.177 120.715 120.400 0.230 0.000 2.316 316 K HA 0.566 4.886 4.320 -0.000 0.000 0.251 316 K C 0.663 177.285 176.600 0.037 0.000 0.934 316 K CA -0.660 55.684 56.287 0.095 0.000 0.802 316 K CB 1.841 34.344 32.500 0.005 0.000 1.171 316 K HN 0.642 nan 8.250 nan 0.000 0.426 317 S N 1.253 116.958 115.700 0.008 0.000 2.354 317 S HA -0.167 4.303 4.470 -0.000 0.000 0.219 317 S C 1.524 176.095 174.600 -0.048 0.000 1.035 317 S CA 1.622 59.820 58.200 -0.004 0.000 1.037 317 S CB -0.366 62.833 63.200 -0.001 0.000 0.956 317 S HN 0.890 nan 8.310 nan 0.000 0.428 318 G N 0.535 109.277 108.800 -0.097 0.000 2.707 318 G HA2 0.376 4.336 3.960 -0.000 0.000 0.204 318 G HA3 0.376 4.336 3.960 -0.000 0.000 0.204 318 G C 0.577 175.299 174.900 -0.298 0.000 1.435 318 G CA 0.426 45.442 45.100 -0.141 0.000 0.890 318 G HN 1.304 nan 8.290 nan 0.000 0.552 319 G N -2.411 106.087 108.800 -0.504 0.000 2.788 319 G HA2 0.297 4.256 3.960 -0.000 0.000 0.686 319 G HA3 0.297 4.256 3.960 -0.000 0.000 0.686 319 G C -0.761 173.845 174.900 -0.490 0.000 1.147 319 G CA 0.169 44.587 45.100 -1.136 0.000 0.755 319 G HN 0.720 nan 8.290 nan 0.000 0.634 320 Q N -0.500 119.129 119.800 -0.285 0.000 2.870 320 Q HA 0.794 5.134 4.340 -0.000 0.000 0.366 320 Q C 1.500 177.621 176.000 0.202 0.000 0.738 320 Q CA 0.051 55.870 55.803 0.027 0.000 0.870 320 Q CB 0.616 29.344 28.738 -0.016 0.000 1.237 320 Q HN 1.482 nan 8.270 nan 0.000 0.497 321 A N 0.396 123.287 122.820 0.117 0.000 1.889 321 A HA 0.229 4.549 4.320 -0.000 0.000 0.209 321 A C 0.854 178.506 177.584 0.114 0.000 1.315 321 A CA 1.474 53.576 52.037 0.108 0.000 0.611 321 A CB -1.260 17.775 19.000 0.059 0.000 0.950 321 A HN 0.508 nan 8.150 nan 0.000 0.477 322 G N -0.998 107.843 108.800 0.069 0.000 2.350 322 G HA2 0.458 4.418 3.960 -0.000 0.000 0.306 322 G HA3 0.458 4.418 3.960 -0.000 0.000 0.306 322 G C -0.577 174.355 174.900 0.054 0.000 1.094 322 G CA -0.048 45.086 45.100 0.057 0.000 0.953 322 G HN 0.320 nan 8.290 nan 0.000 0.420 323 D N 0.618 121.065 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 -0.000 0.000 0.242 323 D C 0.343 176.674 176.300 0.052 0.000 1.106 323 D CA 0.186 54.221 54.000 0.057 0.000 0.854 323 D CB 0.355 41.186 40.800 0.051 0.000 1.192 323 D HN 0.343 nan 8.370 nan 0.000 0.503 324 Q N 0.778 120.609 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 -0.000 0.000 0.262 324 Q C -0.344 175.676 176.000 0.034 0.000 1.328 324 Q CA 0.779 56.588 55.803 0.011 0.000 0.794 324 Q CB -1.427 27.300 28.738 -0.018 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.018 120.656 119.600 0.063 0.000 2.157 325 M HA 0.540 5.020 4.480 -0.000 0.000 0.354 325 M C 0.279 176.631 176.300 0.087 0.000 1.170 325 M CA -0.433 54.953 55.300 0.143 0.000 1.060 325 M CB 1.798 34.567 32.600 0.282 0.000 1.615 325 M HN 0.483 nan 8.290 nan 0.000 0.460 326 S N 3.052 118.821 115.700 0.116 0.000 2.541 326 S HA 0.865 5.335 4.470 -0.000 0.000 0.280 326 S C -1.459 173.275 174.600 0.224 0.000 1.112 326 S CA -0.837 57.389 58.200 0.042 0.000 0.925 326 S CB 1.733 64.907 63.200 -0.043 0.000 1.067 326 S HN 0.969 nan 8.310 nan 0.000 0.479 327 W N 0.200 121.685 121.300 0.309 0.000 3.118 327 W HA 0.721 5.381 4.660 -0.000 0.000 0.328 327 W C -1.220 175.432 176.519 0.221 0.000 1.239 327 W CA -0.875 56.617 57.345 0.244 0.000 1.176 327 W CB 1.254 30.876 29.460 0.270 0.000 1.433 327 W HN 0.707 nan 8.180 nan 0.000 0.562 328 S N 1.062 117.120 115.700 0.597 0.000 2.509 328 S HA 0.807 5.277 4.470 -0.000 0.000 0.297 328 S C -0.720 174.157 174.600 0.462 0.000 1.118 328 S CA -0.223 58.225 58.200 0.414 0.000 1.074 328 S CB 1.004 64.324 63.200 0.200 0.000 1.038 328 S HN 0.832 nan 8.310 nan 0.000 0.498 329 A N 4.464 127.503 122.820 0.366 0.000 2.414 329 A HA 0.871 5.191 4.320 -0.000 0.000 0.306 329 A C -0.604 176.965 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.032 0.000 0.724 329 A CB 1.445 20.397 19.000 -0.079 0.000 1.267 329 A HN 0.746 nan 8.150 nan 0.000 0.418 330 R N 0.764 121.161 120.500 -0.171 0.000 2.651 330 R HA 0.682 5.022 4.340 -0.000 0.000 0.278 330 R C -0.583 175.642 176.300 -0.125 0.000 1.010 330 R CA 0.336 56.385 56.100 -0.085 0.000 0.896 330 R CB 2.196 32.468 30.300 -0.045 0.000 1.211 330 R HN 2.073 nan 8.270 nan 0.000 0.456 331 G N 0.914 109.661 108.800 -0.089 0.000 2.333 331 G HA2 0.095 4.055 3.960 -0.000 0.000 0.330 331 G HA3 0.095 4.055 3.960 -0.000 0.000 0.330 331 G C -1.716 173.114 174.900 -0.117 0.000 1.465 331 G CA -0.640 44.404 45.100 -0.092 0.000 0.996 331 G HN 0.567 nan 8.290 nan 0.000 0.655 332 S N -0.550 115.077 115.700 -0.121 0.000 2.566 332 S HA 0.883 5.353 4.470 -0.000 0.000 0.298 332 S C -0.280 174.203 174.600 -0.194 0.000 1.083 332 S CA -0.960 57.140 58.200 -0.167 0.000 0.978 332 S CB 2.088 65.209 63.200 -0.131 0.000 1.073 332 S HN 0.768 nan 8.310 nan 0.000 0.491 333 L N 0.901 121.971 121.223 -0.256 0.000 2.319 333 L HA 0.886 5.226 4.340 -0.000 0.000 0.267 333 L C -0.268 176.512 176.870 -0.150 0.000 1.011 333 L CA -1.129 53.553 54.840 -0.263 0.000 0.818 333 L CB 1.791 43.610 42.059 -0.400 0.000 1.316 333 L HN 0.846 nan 8.230 nan 0.000 0.432 334 A N 1.664 124.432 122.820 -0.086 0.000 2.330 334 A HA 0.722 5.042 4.320 -0.000 0.000 0.313 334 A C -0.899 176.691 177.584 0.009 0.000 1.124 334 A CA -0.471 51.549 52.037 -0.028 0.000 0.774 334 A CB 1.503 20.493 19.000 -0.017 0.000 1.198 334 A HN 0.368 nan 8.150 nan 0.000 0.465 335 V N 2.825 122.774 119.914 0.060 0.000 2.328 335 V HA 0.405 4.525 4.120 -0.000 0.000 0.278 335 V C 0.101 176.244 176.094 0.081 0.000 1.021 335 V CA -0.226 62.129 62.300 0.093 0.000 0.838 335 V CB 1.190 33.103 31.823 0.150 0.000 0.999 335 V HN 0.872 nan 8.190 nan 0.000 0.447 336 T N 7.024 121.566 114.554 -0.020 0.000 2.743 336 T HA 0.486 4.836 4.350 -0.000 0.000 0.292 336 T C -0.027 174.526 174.700 -0.245 0.000 0.972 336 T CA -0.150 61.878 62.100 -0.120 0.000 0.967 336 T CB 0.657 69.436 68.868 -0.149 0.000 0.926 336 T HN 0.615 nan 8.240 nan 0.000 0.459 337 I N 1.848 122.328 120.570 -0.149 0.000 2.312 337 I HA 0.409 4.579 4.170 -0.000 0.000 0.290 337 I C -0.247 175.786 176.117 -0.140 0.000 1.008 337 I CA -0.802 60.407 61.300 -0.152 0.000 1.226 337 I CB 0.695 38.711 38.000 0.027 0.000 1.371 337 I HN 0.546 nan 8.210 nan 0.000 0.468 338 H N 5.325 124.420 119.070 0.043 0.000 2.886 338 H HA 0.133 4.689 4.556 -0.000 0.000 0.329 338 H C 1.478 176.818 175.328 0.020 0.000 1.044 338 H CA 1.054 57.118 56.048 0.027 0.000 1.456 338 H CB 0.880 30.654 29.762 0.020 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.658 111.539 108.800 0.134 0.000 2.200 339 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.267 339 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.267 339 G C 1.554 176.505 174.900 0.085 0.000 0.993 339 G CA 0.848 45.996 45.100 0.080 0.000 0.701 339 G HN 0.868 nan 8.290 nan 0.000 0.524 340 G N 0.110 108.949 108.800 0.065 0.000 2.450 340 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 340 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 340 G C 1.329 176.261 174.900 0.053 0.000 1.130 340 G CA 1.299 46.433 45.100 0.056 0.000 0.760 340 G HN 0.519 nan 8.290 nan 0.000 0.557 341 N N -0.866 117.859 118.700 0.042 0.000 2.336 341 N HA 0.062 4.802 4.740 -0.000 0.000 0.189 341 N C -0.279 175.259 175.510 0.047 0.000 1.113 341 N CA -0.477 52.585 53.050 0.019 0.000 0.858 341 N CB -0.110 38.365 38.487 -0.020 0.000 0.970 341 N HN 0.429 nan 8.380 nan 0.000 0.471 342 Y N 2.696 122.979 120.300 -0.029 0.000 2.605 342 Y HA 0.144 4.694 4.550 -0.000 0.000 0.336 342 Y C -2.107 173.769 175.900 -0.040 0.000 1.111 342 Y CA -2.020 56.059 58.100 -0.036 0.000 1.422 342 Y CB 0.502 38.933 38.460 -0.049 0.000 1.193 342 Y HN 0.003 nan 8.280 nan 0.000 0.526 343 P HA 0.080 nan 4.420 nan 0.000 0.260 343 P C 0.523 177.746 177.300 -0.129 0.000 1.185 343 P CA 1.944 64.896 63.100 -0.247 0.000 0.763 343 P CB 0.485 31.987 31.700 -0.329 0.000 0.776 344 G N 3.273 112.090 108.800 0.027 0.000 2.313 344 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 344 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 344 G C 1.208 176.225 174.900 0.196 0.000 1.023 344 G CA 0.329 45.506 45.100 0.129 0.000 0.626 344 G HN 0.610 nan 8.290 nan 0.000 0.503 345 A N -0.209 122.710 122.820 0.165 0.000 1.969 345 A HA 0.538 4.858 4.320 -0.000 0.000 0.218 345 A C 2.184 179.890 177.584 0.203 0.000 1.169 345 A CA 2.044 54.140 52.037 0.099 0.000 0.635 345 A CB -0.196 18.841 19.000 0.062 0.000 0.810 345 A HN 0.979 nan 8.150 nan 0.000 0.445 346 L N -3.791 117.534 121.223 0.171 0.000 3.316 346 L HA 0.202 4.542 4.340 -0.000 0.000 0.300 346 L C 2.054 179.053 176.870 0.214 0.000 1.128 346 L CA 0.200 55.138 54.840 0.164 0.000 1.111 346 L CB 0.069 42.206 42.059 0.129 0.000 1.687 346 L HN 0.296 nan 8.230 nan 0.000 0.594 347 R N 1.735 122.330 120.500 0.159 0.000 2.072 347 R HA 0.080 4.420 4.340 -0.000 0.000 0.221 347 R C -1.771 174.594 176.300 0.110 0.000 1.166 347 R CA 0.693 56.851 56.100 0.098 0.000 0.917 347 R CB -0.903 29.410 30.300 0.021 0.000 0.815 347 R HN 0.020 nan 8.270 nan 0.000 0.444 348 P HA 0.123 nan 4.420 nan 0.000 0.275 348 P C -1.301 176.111 177.300 0.188 0.000 1.227 348 P CA 0.138 63.287 63.100 0.081 0.000 0.781 348 P CB 1.512 33.237 31.700 0.043 0.000 0.906 349 V N 3.278 123.308 119.914 0.193 0.000 2.588 349 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 349 V C 0.074 176.243 176.094 0.125 0.000 1.042 349 V CA -0.288 62.119 62.300 0.178 0.000 0.877 349 V CB 2.246 34.194 31.823 0.208 0.000 0.996 349 V HN 0.469 nan 8.190 nan 0.000 0.425 350 T N 6.031 120.631 114.554 0.078 0.000 2.770 350 T HA 0.632 4.982 4.350 -0.000 0.000 0.283 350 T C -0.622 174.109 174.700 0.053 0.000 0.988 350 T CA -0.281 61.874 62.100 0.093 0.000 0.957 350 T CB 0.929 69.875 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.089 125.316 121.223 0.007 0.000 2.282 351 L HA 0.557 4.897 4.340 -0.000 0.000 0.288 351 L C -0.360 176.517 176.870 0.011 0.000 1.033 351 L CA -0.428 54.378 54.840 -0.057 0.000 0.807 351 L CB 1.697 43.690 42.059 -0.111 0.000 1.209 351 L HN 0.384 nan 8.230 nan 0.000 0.423 352 V N 3.420 123.350 119.914 0.027 0.000 2.326 352 V HA 0.751 4.871 4.120 -0.000 0.000 0.281 352 V C 0.086 176.258 176.094 0.130 0.000 1.015 352 V CA -0.667 61.697 62.300 0.107 0.000 0.823 352 V CB 1.264 33.213 31.823 0.210 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.570 128.463 122.820 0.122 0.000 2.317 353 A HA 0.916 5.236 4.320 -0.000 0.000 0.327 353 A C -0.903 176.914 177.584 0.389 0.000 1.178 353 A CA -0.484 51.661 52.037 0.179 0.000 0.817 353 A CB 0.855 19.935 19.000 0.133 0.000 1.189 353 A HN 0.979 nan 8.150 nan 0.000 0.489 354 Y N -0.027 120.468 120.300 0.326 0.000 2.524 354 Y HA 0.794 5.344 4.550 -0.000 0.000 0.344 354 Y C -0.317 175.650 175.900 0.112 0.000 1.012 354 Y CA -0.945 57.315 58.100 0.267 0.000 1.068 354 Y CB 1.365 39.919 38.460 0.157 0.000 1.249 354 Y HN 0.852 nan 8.280 nan 0.000 0.468 355 E N 0.823 121.036 120.200 0.022 0.000 2.412 355 E HA 0.566 4.916 4.350 -0.000 0.000 0.279 355 E C -0.558 175.994 176.600 -0.081 0.000 0.984 355 E CA -1.287 55.007 56.400 -0.176 0.000 0.788 355 E CB 1.520 30.881 29.700 -0.566 0.000 1.277 355 E HN 0.580 nan 8.360 nan 0.000 0.455 356 R N -0.898 119.567 120.500 -0.059 0.000 3.989 356 R HA -0.102 4.238 4.340 -0.000 0.000 0.377 356 R C -0.446 175.869 176.300 0.025 0.000 1.158 356 R CA 0.856 56.939 56.100 -0.029 0.000 1.035 356 R CB -2.823 27.443 30.300 -0.058 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.401 121.363 119.914 0.082 0.000 2.614 357 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 357 V C 1.450 177.578 176.094 0.058 0.000 1.049 357 V CA -0.047 62.299 62.300 0.077 0.000 1.038 357 V CB 1.536 33.424 31.823 0.107 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.865 126.703 122.820 0.031 0.000 2.511 358 A HA 0.326 4.646 4.320 -0.000 0.000 0.242 358 A C 0.763 178.366 177.584 0.031 0.000 1.069 358 A CA -0.004 52.047 52.037 0.024 0.000 0.763 358 A CB -0.294 18.714 19.000 0.014 0.000 1.001 358 A HN 0.864 nan 8.150 nan 0.000 0.498 359 T N 1.843 116.416 114.554 0.031 0.000 2.908 359 T HA 0.403 4.753 4.350 -0.000 0.000 0.301 359 T C 1.541 176.256 174.700 0.026 0.000 1.019 359 T CA 1.606 63.728 62.100 0.036 0.000 1.152 359 T CB 0.421 69.305 68.868 0.027 0.000 0.966 359 T HN 2.023 nan 8.240 nan 0.000 0.540 360 G N 2.706 111.523 108.800 0.030 0.000 2.195 360 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 360 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 360 G C 0.377 175.282 174.900 0.009 0.000 0.984 360 G CA 0.109 45.221 45.100 0.019 0.000 0.633 360 G HN 1.131 nan 8.290 nan 0.000 0.525 361 S N -0.689 115.013 115.700 0.004 0.000 2.632 361 S HA 0.721 5.191 4.470 -0.000 0.000 0.267 361 S C 0.144 174.724 174.600 -0.034 0.000 1.276 361 S CA -0.270 57.922 58.200 -0.014 0.000 0.998 361 S CB 2.494 65.684 63.200 -0.017 0.000 0.953 361 S HN 0.984 nan 8.310 nan 0.000 0.547 362 V N 1.904 121.791 119.914 -0.045 0.000 2.394 362 V HA 0.353 4.473 4.120 -0.000 0.000 0.282 362 V C -0.264 175.766 176.094 -0.105 0.000 1.031 362 V CA -0.754 61.509 62.300 -0.062 0.000 0.881 362 V CB 1.302 33.102 31.823 -0.038 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.603 124.415 119.914 -0.169 0.000 2.364 363 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 363 V C 0.474 176.485 176.094 -0.138 0.000 1.036 363 V CA -0.093 62.075 62.300 -0.220 0.000 0.880 363 V CB 1.651 33.208 31.823 -0.444 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.288 119.796 114.554 -0.075 0.000 2.767 364 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 364 T C -0.229 174.480 174.700 0.015 0.000 0.963 364 T CA -0.269 61.818 62.100 -0.022 0.000 1.019 364 T CB 1.408 70.268 68.868 -0.014 0.000 0.923 364 T HN 0.334 nan 8.240 nan 0.000 0.468 365 V N 2.657 122.610 119.914 0.066 0.000 2.459 365 V HA 0.836 4.956 4.120 -0.000 0.000 0.295 365 V C -0.088 176.074 176.094 0.112 0.000 1.029 365 V CA -0.819 61.559 62.300 0.129 0.000 0.874 365 V CB 1.414 33.375 31.823 0.230 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.397 126.261 122.820 0.073 0.000 2.427 366 A HA 0.970 5.290 4.320 -0.000 0.000 0.298 366 A C -0.171 177.423 177.584 0.016 0.000 1.036 366 A CA -0.009 52.052 52.037 0.041 0.000 0.701 366 A CB 1.890 20.899 19.000 0.016 0.000 1.250 366 A HN 1.212 nan 8.150 nan 0.000 0.412 367 G N -0.318 108.495 108.800 0.022 0.000 2.695 367 G HA2 0.637 4.597 3.960 -0.000 0.000 0.290 367 G HA3 0.637 4.597 3.960 -0.000 0.000 0.290 367 G C -1.783 173.121 174.900 0.008 0.000 1.410 367 G CA -0.557 44.535 45.100 -0.013 0.000 0.844 367 G HN 1.129 nan 8.290 nan 0.000 0.478 368 V N 0.268 120.173 119.914 -0.015 0.000 2.638 368 V HA 0.689 4.809 4.120 -0.000 0.000 0.306 368 V C -0.260 175.815 176.094 -0.030 0.000 1.052 368 V CA -0.708 61.593 62.300 0.002 0.000 0.885 368 V CB 1.913 33.736 31.823 -0.001 0.000 0.999 368 V HN 0.757 nan 8.190 nan 0.000 0.424 369 S N 4.097 119.788 115.700 -0.014 0.000 2.482 369 S HA 0.581 5.051 4.470 -0.000 0.000 0.303 369 S C -0.645 173.762 174.600 -0.321 0.000 1.091 369 S CA -0.809 57.285 58.200 -0.177 0.000 1.057 369 S CB 1.186 64.353 63.200 -0.054 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.721 120.105 118.700 -0.527 0.000 2.321 370 N HA 0.609 5.349 4.740 -0.000 0.000 0.299 370 N C -1.498 173.652 175.510 -0.601 0.000 1.048 370 N CA -0.227 52.605 53.050 -0.365 0.000 0.836 370 N CB 1.393 39.797 38.487 -0.138 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.016 119.985 119.950 0.032 0.000 2.576 371 F HA 0.334 4.861 4.527 -0.000 0.000 0.313 371 F C 0.496 176.302 175.800 0.010 0.000 1.078 371 F CA -0.876 57.125 58.000 0.002 0.000 0.921 371 F CB 1.898 40.871 39.000 -0.045 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.964 123.269 120.200 0.174 0.000 2.227 372 E HA 0.607 4.957 4.350 -0.000 0.000 0.282 372 E C -1.152 175.580 176.600 0.221 0.000 1.015 372 E CA -0.431 56.053 56.400 0.141 0.000 0.823 372 E CB 1.568 31.166 29.700 -0.169 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.694 125.073 121.223 0.260 0.000 2.388 373 L HA 0.555 4.895 4.340 -0.000 0.000 0.264 373 L C -0.661 176.384 176.870 0.292 0.000 0.998 373 L CA -0.822 54.110 54.840 0.153 0.000 0.817 373 L CB 1.860 43.685 42.059 -0.390 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.428 124.201 120.570 0.338 0.000 2.362 374 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 374 I C -2.215 174.136 176.117 0.392 0.000 0.994 374 I CA -2.008 59.466 61.300 0.291 0.000 1.158 374 I CB 1.973 40.087 38.000 0.190 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.061 nan 4.420 nan 0.000 0.272 375 P C -0.988 176.348 177.300 0.059 0.000 1.223 375 P CA -0.349 62.845 63.100 0.157 0.000 0.784 375 P CB 0.283 32.016 31.700 0.055 0.000 0.923 376 N N 2.403 121.069 118.700 -0.056 0.000 2.354 376 N HA 0.080 4.820 4.740 -0.000 0.000 0.246 376 N C -1.975 173.515 175.510 -0.032 0.000 1.285 376 N CA -1.619 51.409 53.050 -0.037 0.000 0.925 376 N CB -1.363 37.078 38.487 -0.077 0.000 1.174 376 N HN 0.152 nan 8.380 nan 0.000 0.478 377 P HA -0.162 nan 4.420 nan 0.000 0.216 377 P C 0.980 178.264 177.300 -0.027 0.000 1.150 377 P CA 1.511 64.602 63.100 -0.014 0.000 0.843 377 P CB 0.200 31.894 31.700 -0.010 0.000 0.787 378 E N -0.954 119.221 120.200 -0.041 0.000 2.072 378 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 378 E C 1.764 178.332 176.600 -0.053 0.000 0.982 378 E CA 0.739 57.113 56.400 -0.043 0.000 0.803 378 E CB -1.040 28.632 29.700 -0.047 0.000 0.755 378 E HN 0.015 nan 8.360 nan 0.000 0.453 379 L N -0.023 121.151 121.223 -0.081 0.000 2.156 379 L HA 0.114 4.454 4.340 -0.000 0.000 0.208 379 L C 2.035 178.874 176.870 -0.051 0.000 1.095 379 L CA 1.487 56.271 54.840 -0.093 0.000 0.770 379 L CB -0.671 41.273 42.059 -0.192 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.888 121.911 122.820 -0.035 0.000 2.131 380 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 380 A C 2.176 179.753 177.584 -0.011 0.000 1.158 380 A CA 1.525 53.556 52.037 -0.010 0.000 0.665 380 A CB -0.525 18.474 19.000 -0.002 0.000 0.795 380 A HN 0.475 nan 8.150 nan 0.000 0.460 381 K N -0.790 119.600 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 -0.000 0.000 0.198 381 K C 0.372 176.966 176.600 -0.010 0.000 1.044 381 K CA 0.841 57.120 56.287 -0.013 0.000 0.973 381 K CB 0.057 32.548 32.500 -0.015 0.000 0.767 381 K HN 0.389 nan 8.250 nan 0.000 0.475 382 N N -0.163 118.531 118.700 -0.010 0.000 2.118 382 N HA 0.046 4.786 4.740 -0.000 0.000 0.226 382 N C -1.012 174.501 175.510 0.004 0.000 1.305 382 N CA -0.049 52.998 53.050 -0.005 0.000 0.890 382 N CB 1.076 39.558 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.510 123.738 121.223 0.008 0.000 2.318 383 L HA 0.441 4.781 4.340 -0.000 0.000 0.277 383 L C -0.315 176.568 176.870 0.021 0.000 1.008 383 L CA -0.565 54.292 54.840 0.028 0.000 0.846 383 L CB 1.219 43.308 42.059 0.050 0.000 1.220 383 L HN -0.277 nan 8.230 nan 0.000 0.423 384 V N 4.103 124.025 119.914 0.013 0.000 2.585 384 V HA 0.249 4.369 4.120 -0.000 0.000 0.296 384 V C 0.843 176.928 176.094 -0.017 0.000 1.035 384 V CA 0.006 62.302 62.300 -0.006 0.000 1.084 384 V CB 1.259 33.077 31.823 -0.008 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.475 116.999 114.554 -0.050 0.000 2.912 385 T HA 0.812 5.162 4.350 -0.000 0.000 0.288 385 T C -0.760 173.840 174.700 -0.168 0.000 1.030 385 T CA -0.903 61.139 62.100 -0.096 0.000 1.020 385 T CB 2.298 71.112 68.868 -0.091 0.000 1.056 385 T HN 0.679 nan 8.240 nan 0.000 0.480 386 E N 0.142 120.193 120.200 -0.248 0.000 2.408 386 E HA 0.359 4.709 4.350 -0.000 0.000 0.275 386 E C -1.279 175.113 176.600 -0.347 0.000 0.935 386 E CA -0.978 55.269 56.400 -0.255 0.000 0.775 386 E CB 1.838 31.457 29.700 -0.136 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.502 120.760 120.300 -0.071 0.000 2.480 387 Y HA 0.230 4.780 4.550 -0.000 0.000 0.338 387 Y C 1.430 177.326 175.900 -0.007 0.000 1.220 387 Y CA 0.195 58.294 58.100 -0.002 0.000 1.430 387 Y CB 0.523 38.998 38.460 0.025 0.000 1.311 387 Y HN 0.605 nan 8.280 nan 0.000 0.575 388 G N 2.821 111.805 108.800 0.308 0.000 2.559 388 G HA2 0.063 4.023 3.960 -0.000 0.000 0.235 388 G HA3 0.063 4.023 3.960 -0.000 0.000 0.235 388 G C -0.215 174.802 174.900 0.196 0.000 1.266 388 G CA -0.886 44.370 45.100 0.259 0.000 0.847 388 G HN 0.437 nan 8.290 nan 0.000 0.583 389 R N -0.126 120.465 120.500 0.152 0.000 2.538 389 R HA -0.013 4.327 4.340 -0.000 0.000 0.282 389 R C -0.323 176.087 176.300 0.183 0.000 1.009 389 R CA -0.431 55.754 56.100 0.141 0.000 1.063 389 R CB 0.001 30.357 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.861 124.831 119.950 0.033 0.000 2.421 390 F HA 0.166 4.693 4.527 -0.000 0.000 0.358 390 F C -0.343 175.465 175.800 0.013 0.000 1.115 390 F CA -1.400 56.611 58.000 0.017 0.000 1.160 390 F CB 0.456 39.460 39.000 0.007 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.081 128.175 120.400 -0.509 0.000 2.620 391 D HA 0.323 4.963 4.640 -0.000 0.000 0.252 391 D C -3.289 172.594 176.300 -0.695 0.000 1.207 391 D CA -2.044 51.542 54.000 -0.690 0.000 0.884 391 D CB 1.738 42.359 40.800 -0.299 0.000 1.262 391 D HN 0.216 nan 8.370 nan 0.000 0.552 392 P HA 0.284 nan 4.420 nan 0.000 0.274 392 P C 1.011 178.200 177.300 -0.185 0.000 1.231 392 P CA 0.446 63.305 63.100 -0.402 0.000 0.790 392 P CB 1.083 32.634 31.700 -0.249 0.000 0.951 393 G N 1.404 110.166 108.800 -0.063 0.000 2.205 393 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.261 393 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.261 393 G C 1.123 176.046 174.900 0.038 0.000 0.980 393 G CA 0.713 45.813 45.100 0.000 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.491 122.321 122.820 -0.014 0.000 1.877 394 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 394 A C 2.272 179.921 177.584 0.107 0.000 1.186 394 A CA 2.828 54.894 52.037 0.049 0.000 0.620 394 A CB -0.369 18.626 19.000 -0.009 0.000 0.822 394 A HN 1.148 nan 8.150 nan 0.000 0.443 395 M N 0.847 120.461 119.600 0.022 0.000 2.132 395 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 395 M C 1.543 177.893 176.300 0.083 0.000 1.065 395 M CA 1.729 57.037 55.300 0.012 0.000 1.122 395 M CB -0.956 31.619 32.600 -0.042 0.000 1.365 395 M HN 0.513 nan 8.290 nan 0.000 0.411 396 N N -1.325 117.429 118.700 0.090 0.000 2.166 396 N HA -0.218 4.522 4.740 -0.000 0.000 0.186 396 N C 1.734 177.322 175.510 0.130 0.000 1.019 396 N CA 1.610 54.718 53.050 0.097 0.000 0.856 396 N CB -0.407 38.133 38.487 0.088 0.000 0.993 396 N HN 0.428 nan 8.380 nan 0.000 0.426 397 Y N 2.339 122.671 120.300 0.053 0.000 2.200 397 Y HA -0.159 4.391 4.550 -0.000 0.000 0.290 397 Y C 2.522 178.479 175.900 0.096 0.000 1.137 397 Y CA 1.404 59.546 58.100 0.070 0.000 1.163 397 Y CB -0.464 38.038 38.460 0.071 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.185 114.871 114.554 0.219 0.000 2.708 398 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 398 T C 1.801 176.564 174.700 0.105 0.000 1.037 398 T CA 1.909 64.127 62.100 0.196 0.000 1.146 398 T CB -0.198 68.860 68.868 0.317 0.000 0.865 398 T HN 0.265 nan 8.240 nan 0.000 0.435 399 K N 0.381 120.837 120.400 0.094 0.000 2.057 399 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 399 K C 2.199 178.801 176.600 0.003 0.000 1.049 399 K CA 0.849 57.173 56.287 0.062 0.000 0.931 399 K CB -0.347 32.190 32.500 0.061 0.000 0.714 399 K HN 0.137 nan 8.250 nan 0.000 0.440 400 L N 1.316 122.512 121.223 -0.045 0.000 1.994 400 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 400 L C 1.900 178.694 176.870 -0.127 0.000 1.071 400 L CA 1.582 56.364 54.840 -0.096 0.000 0.745 400 L CB -0.377 41.590 42.059 -0.154 0.000 0.892 400 L HN 0.084 nan 8.230 nan 0.000 0.431 401 I N -0.289 120.160 120.570 -0.200 0.000 2.127 401 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 401 I C 2.599 178.682 176.117 -0.057 0.000 1.075 401 I CA 1.656 62.863 61.300 -0.155 0.000 1.334 401 I CB -1.270 36.631 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.037 121.247 121.223 -0.022 0.000 2.093 402 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 402 L C 2.699 179.558 176.870 -0.019 0.000 1.085 402 L CA 1.411 56.248 54.840 -0.004 0.000 0.755 402 L CB -0.610 41.466 42.059 0.029 0.000 0.904 402 L HN 0.277 nan 8.230 nan 0.000 0.435 403 S N -0.226 115.462 115.700 -0.020 0.000 2.400 403 S HA -0.163 4.306 4.470 -0.000 0.000 0.232 403 S C 1.522 176.106 174.600 -0.025 0.000 1.025 403 S CA 1.195 59.382 58.200 -0.021 0.000 0.993 403 S CB -0.073 63.117 63.200 -0.018 0.000 0.808 403 S HN 0.403 nan 8.310 nan 0.000 0.478 404 E N 0.634 120.816 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 -0.000 0.000 0.199 404 E C 1.533 178.120 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.116 56.400 -0.022 0.000 0.933 404 E CB -0.011 29.678 29.700 -0.019 0.000 1.050 404 E HN 0.506 nan 8.360 nan 0.000 0.462 405 R N 1.474 121.955 120.500 -0.032 0.000 2.112 405 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 405 R C 0.899 177.162 176.300 -0.062 0.000 1.137 405 R CA 1.878 57.952 56.100 -0.044 0.000 0.944 405 R CB 0.103 30.371 30.300 -0.053 0.000 0.857 405 R HN 0.085 nan 8.270 nan 0.000 0.435 406 D N -0.265 120.099 120.400 -0.061 0.000 2.149 406 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 406 D C 2.027 178.293 176.300 -0.056 0.000 0.972 406 D CA 1.421 55.377 54.000 -0.073 0.000 0.835 406 D CB -0.220 40.541 40.800 -0.065 0.000 0.966 406 D HN 0.451 nan 8.370 nan 0.000 0.476 407 R N 0.779 121.261 120.500 -0.031 0.000 2.148 407 R HA 0.020 4.360 4.340 -0.000 0.000 0.223 407 R C 1.996 178.300 176.300 0.006 0.000 1.088 407 R CA 0.773 56.866 56.100 -0.013 0.000 0.985 407 R CB -0.429 29.871 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.334 121.567 121.223 0.016 0.000 2.446 408 L HA 0.280 4.620 4.340 -0.000 0.000 0.219 408 L C 0.908 177.802 176.870 0.040 0.000 1.116 408 L CA 0.511 55.393 54.840 0.071 0.000 0.844 408 L CB 0.012 42.135 42.059 0.107 0.000 0.970 408 L HN 0.628 nan 8.230 nan 0.000 0.457 409 G N 1.534 110.298 108.800 -0.061 0.000 2.272 409 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 409 G C 0.034 174.736 174.900 -0.330 0.000 1.067 409 G CA -0.203 44.792 45.100 -0.175 0.000 0.902 409 G HN 0.299 nan 8.290 nan 0.000 0.500 410 I N 0.819 121.238 120.570 -0.251 0.000 2.294 410 I HA 0.213 4.383 4.170 -0.000 0.000 0.295 410 I C 0.912 176.809 176.117 -0.367 0.000 1.098 410 I CA -0.048 61.099 61.300 -0.255 0.000 1.277 410 I CB 0.444 38.400 38.000 -0.074 0.000 1.434 410 I HN 0.083 nan 8.210 nan 0.000 0.498 411 K N 3.380 123.292 120.400 -0.813 0.000 2.087 411 K HA 0.335 4.655 4.320 -0.000 0.000 0.255 411 K C 1.145 177.510 176.600 -0.392 0.000 0.988 411 K CA -0.461 55.305 56.287 -0.868 0.000 0.915 411 K CB 1.229 32.766 32.500 -1.606 0.000 1.043 411 K HN 0.561 nan 8.250 nan 0.000 0.457 412 T N -3.109 111.289 114.554 -0.260 0.000 3.051 412 T HA 0.046 4.396 4.350 -0.000 0.000 0.255 412 T C 0.688 175.365 174.700 -0.039 0.000 1.085 412 T CA -0.113 61.944 62.100 -0.072 0.000 1.109 412 T CB -0.140 68.691 68.868 -0.060 0.000 0.921 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.713 118.099 119.914 -0.169 0.000 2.577 413 V HA 0.811 4.931 4.120 -0.000 0.000 0.303 413 V C -1.808 174.199 176.094 -0.144 0.000 1.042 413 V CA -1.755 60.511 62.300 -0.056 0.000 0.872 413 V CB 0.902 32.702 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.567 124.822 121.300 -0.074 0.000 2.844 414 W HA 0.734 5.394 4.660 -0.000 0.000 0.340 414 W C -2.719 173.799 176.519 -0.002 0.000 1.093 414 W CA -2.504 54.822 57.345 -0.031 0.000 1.212 414 W CB 1.818 31.278 29.460 0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.074 nan 4.420 nan 0.000 0.271 415 P C 0.840 178.290 177.300 0.250 0.000 1.226 415 P CA 0.383 63.604 63.100 0.202 0.000 0.765 415 P CB 0.821 32.615 31.700 0.157 0.000 0.835 416 T N 2.806 117.466 114.554 0.176 0.000 2.699 416 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 416 T C 1.770 176.573 174.700 0.172 0.000 1.036 416 T CA 1.771 63.966 62.100 0.158 0.000 1.147 416 T CB -0.352 68.573 68.868 0.096 0.000 0.862 416 T HN 0.433 nan 8.240 nan 0.000 0.446 417 R N 1.468 122.052 120.500 0.141 0.000 2.091 417 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 417 R C 2.114 178.501 176.300 0.144 0.000 1.136 417 R CA 1.852 58.023 56.100 0.119 0.000 0.959 417 R CB -0.386 29.971 30.300 0.095 0.000 0.856 417 R HN 0.475 nan 8.270 nan 0.000 0.437 418 E N -1.176 119.150 120.200 0.209 0.000 2.152 418 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 418 E C 1.573 178.358 176.600 0.308 0.000 0.983 418 E CA 1.140 57.706 56.400 0.277 0.000 0.818 418 E CB -0.203 29.704 29.700 0.344 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.525 121.870 120.300 0.074 0.000 2.220 419 Y HA -0.179 4.371 4.550 -0.000 0.000 0.291 419 Y C 2.352 178.156 175.900 -0.160 0.000 1.129 419 Y CA 1.625 59.477 58.100 -0.412 0.000 1.161 419 Y CB -0.327 37.738 38.460 -0.658 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.406 114.925 114.554 -0.059 0.000 2.684 420 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 420 T C 1.327 175.979 174.700 -0.081 0.000 1.036 420 T CA 1.750 63.796 62.100 -0.089 0.000 1.148 420 T CB -0.390 68.490 68.868 0.020 0.000 0.863 420 T HN 0.354 nan 8.240 nan 0.000 0.436 421 D N 0.453 120.860 120.400 0.012 0.000 2.123 421 D HA -0.066 4.574 4.640 -0.000 0.000 0.196 421 D C 1.663 178.011 176.300 0.080 0.000 0.992 421 D CA 0.734 54.769 54.000 0.058 0.000 0.833 421 D CB -0.497 40.361 40.800 0.097 0.000 0.954 421 D HN 0.366 nan 8.370 nan 0.000 0.455 422 F N 1.792 121.685 119.950 -0.095 0.000 2.095 422 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 422 F C 2.280 178.035 175.800 -0.074 0.000 1.104 422 F CA 1.433 59.391 58.000 -0.070 0.000 1.232 422 F CB -0.079 38.798 39.000 -0.204 0.000 0.987 422 F HN -0.205 nan 8.300 nan 0.000 0.475 423 R N 0.374 120.657 120.500 -0.362 0.000 2.096 423 R HA -0.240 4.100 4.340 -0.000 0.000 0.240 423 R C 2.364 178.537 176.300 -0.212 0.000 1.139 423 R CA 2.168 58.061 56.100 -0.344 0.000 0.952 423 R CB -0.786 29.309 30.300 -0.343 0.000 0.854 423 R HN 0.636 nan 8.270 nan 0.000 0.436 424 E N -0.606 119.511 120.200 -0.139 0.000 2.216 424 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 424 E C 1.649 178.198 176.600 -0.085 0.000 0.988 424 E CA 0.785 57.123 56.400 -0.104 0.000 0.834 424 E CB -0.297 29.369 29.700 -0.057 0.000 0.772 424 E HN 0.413 nan 8.360 nan 0.000 0.479 425 Y N 1.093 121.300 120.300 -0.156 0.000 2.130 425 Y HA -0.032 4.518 4.550 -0.000 0.000 0.287 425 Y C 1.114 176.930 175.900 -0.139 0.000 1.124 425 Y CA 0.975 59.008 58.100 -0.111 0.000 1.118 425 Y CB -0.265 38.171 38.460 -0.040 0.000 0.994 425 Y HN 0.092 nan 8.280 nan 0.000 0.497 426 F N 0.502 120.284 119.950 -0.280 0.000 2.521 426 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 426 F C 1.015 176.637 175.800 -0.296 0.000 1.289 426 F CA 0.198 57.975 58.000 -0.371 0.000 1.315 426 F CB 0.197 38.777 39.000 -0.699 0.000 1.257 426 F HN 0.135 nan 8.300 nan 0.000 0.541 427 M N 2.136 120.771 119.600 -1.608 0.000 2.212 427 M HA -0.258 4.222 4.480 -0.000 0.000 0.193 427 M C 0.275 176.260 176.300 -0.525 0.000 0.493 427 M CA 0.762 55.430 55.300 -1.054 0.000 0.427 427 M CB -1.114 31.083 32.600 -0.672 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.084 118.841 120.200 -0.458 0.000 2.474 428 E HA 0.182 4.532 4.350 -0.000 0.000 0.195 428 E C -0.031 176.422 176.600 -0.244 0.000 1.039 428 E CA 0.135 56.354 56.400 -0.301 0.000 0.881 428 E CB 0.702 30.233 29.700 -0.283 0.000 0.970 428 E HN 0.403 nan 8.360 nan 0.000 0.486 429 V N 0.915 120.665 119.914 -0.273 0.000 2.483 429 V HA 0.574 4.694 4.120 -0.000 0.000 0.297 429 V C -0.660 175.315 176.094 -0.199 0.000 1.027 429 V CA -0.605 61.573 62.300 -0.203 0.000 0.855 429 V CB 1.623 33.346 31.823 -0.167 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.062 125.793 122.820 -0.149 0.000 2.839 430 A HA 0.469 4.788 4.320 -0.000 0.000 0.303 430 A C -0.404 177.126 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.572 19.500 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.360 122.712 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 -0.000 0.000 0.236 431 D C 1.154 177.422 176.300 -0.053 0.000 1.233 431 D CA 0.310 54.269 54.000 -0.068 0.000 0.829 431 D CB -0.486 40.272 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.496 119.698 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 -0.000 0.000 0.053 432 L C 0.615 177.464 176.870 -0.035 0.000 2.741 432 L CA 1.242 56.059 54.840 -0.037 0.000 1.500 432 L CB -1.647 40.392 42.059 -0.033 0.000 2.928 432 L HN 0.282 nan 8.230 nan 0.000 1.023 433 N N -0.387 118.295 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 -0.000 0.000 0.231 433 N C -0.379 175.116 175.510 -0.025 0.000 1.385 433 N CA 0.454 53.487 53.050 -0.028 0.000 0.790 433 N CB 0.498 38.971 38.487 -0.023 0.000 1.563 433 N HN 1.150 nan 8.380 nan 0.000 0.613 434 S N 1.054 116.738 115.700 -0.027 0.000 2.560 434 S HA 0.503 4.973 4.470 -0.000 0.000 0.276 434 S C -1.248 173.341 174.600 -0.019 0.000 1.350 434 S CA -0.513 57.673 58.200 -0.024 0.000 1.024 434 S CB -0.717 62.467 63.200 -0.026 0.000 0.864 434 S HN 0.586 nan 8.310 nan 0.000 0.536 435 P HA -0.095 nan 4.420 nan 0.000 0.041 435 P C 0.189 177.482 177.300 -0.012 0.000 0.590 435 P CA 0.557 63.649 63.100 -0.014 0.000 1.019 435 P CB -0.691 31.002 31.700 -0.013 0.000 1.776 436 L N 0.543 121.758 121.223 -0.012 0.000 2.127 436 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 436 L C 2.682 179.547 176.870 -0.009 0.000 1.080 436 L CA 1.640 56.474 54.840 -0.010 0.000 0.768 436 L CB -1.041 41.013 42.059 -0.010 0.000 0.924 436 L HN 0.070 nan 8.230 nan 0.000 0.444 437 K N 0.944 121.338 120.400 -0.010 0.000 2.362 437 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 437 K C 1.524 178.119 176.600 -0.008 0.000 1.045 437 K CA 1.988 58.269 56.287 -0.009 0.000 0.936 437 K CB -0.823 31.671 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.851 118.714 120.570 -0.008 0.000 4.439 438 I HA 0.224 4.394 4.170 -0.000 0.000 0.331 438 I C 2.415 178.528 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.745 38.740 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.630 124.446 122.820 -0.007 0.000 1.862 439 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.136 54.169 52.037 -0.006 0.000 0.673 439 A CB -1.172 17.825 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925