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_G DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPGGV YALNGTINAV 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 0.000 174.623 174.700 -0.128 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.054 0.000 0.612 9 Q N 0.465 120.170 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 -0.000 0.000 0.269 9 Q C 0.655 176.584 176.000 -0.119 0.000 1.030 9 Q CA 0.687 56.420 55.803 -0.117 0.000 0.788 9 Q CB 0.738 29.418 28.738 -0.096 0.000 1.266 9 Q HN 2.518 nan 8.270 nan 0.000 0.438 10 Q N 0.469 120.206 119.800 -0.104 0.000 2.363 10 Q HA -0.279 4.061 4.340 -0.000 0.000 0.409 10 Q C 1.130 177.052 176.000 -0.130 0.000 1.118 10 Q CA 4.478 60.219 55.803 -0.103 0.000 0.966 10 Q CB -2.620 26.068 28.738 -0.082 0.000 1.795 10 Q HN 2.311 nan 8.270 nan 0.000 0.941 11 I N -6.421 114.077 120.570 -0.120 0.000 3.519 11 I HA 0.728 4.898 4.170 -0.000 0.000 0.314 11 I C -0.604 175.443 176.117 -0.117 0.000 1.273 11 I CA -0.588 60.633 61.300 -0.132 0.000 1.108 11 I CB 1.737 39.666 38.000 -0.118 0.000 1.212 11 I HN 0.653 nan 8.210 nan 0.000 0.420 12 V N 1.740 121.614 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 12 V C -1.867 174.261 176.094 0.057 0.000 1.017 12 V CA -1.094 61.186 62.300 -0.033 0.000 0.844 12 V CB 1.088 32.869 31.823 -0.070 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.586 178.960 177.300 0.124 0.000 1.158 13 P CA 1.685 64.832 63.100 0.079 0.000 0.895 13 P CB 0.115 31.863 31.700 0.080 0.000 0.792 14 F N -0.340 119.626 119.950 0.028 0.000 2.102 14 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 14 F C 2.045 177.885 175.800 0.067 0.000 1.105 14 F CA 1.299 59.317 58.000 0.029 0.000 1.239 14 F CB -0.731 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 0.645 121.220 120.570 0.009 0.000 2.226 15 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 15 I C 2.583 178.689 176.117 -0.020 0.000 1.100 15 I CA 1.425 62.716 61.300 -0.015 0.000 1.374 15 I CB -1.308 36.848 38.000 0.260 0.000 1.057 15 I HN 0.211 nan 8.210 nan 0.000 0.413 16 R N 0.272 120.836 120.500 0.106 0.000 2.083 16 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 16 R C 2.597 178.911 176.300 0.024 0.000 1.137 16 R CA 2.142 58.334 56.100 0.154 0.000 0.951 16 R CB -0.236 30.132 30.300 0.114 0.000 0.851 16 R HN 0.227 nan 8.270 nan 0.000 0.434 17 S N 0.071 115.727 115.700 -0.072 0.000 2.368 17 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 17 S C 1.847 176.333 174.600 -0.190 0.000 1.029 17 S CA 1.133 59.268 58.200 -0.108 0.000 0.988 17 S CB -0.249 62.897 63.200 -0.090 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.311 122.299 121.223 -0.392 0.000 2.027 18 L HA 0.132 4.472 4.340 -0.000 0.000 0.206 18 L C 1.970 178.763 176.870 -0.128 0.000 1.074 18 L CA 1.804 56.432 54.840 -0.353 0.000 0.745 18 L CB -0.452 41.272 42.059 -0.560 0.000 0.898 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -1.527 119.642 121.223 -0.090 0.000 2.375 19 L HA 0.079 4.419 4.340 -0.000 0.000 0.215 19 L C 0.685 177.639 176.870 0.139 0.000 1.108 19 L CA 0.327 55.182 54.840 0.025 0.000 0.830 19 L CB -0.002 41.988 42.059 -0.115 0.000 0.959 19 L HN 0.239 nan 8.230 nan 0.000 0.457 20 M N -0.546 119.111 119.600 0.096 0.000 2.389 20 M HA 0.238 4.718 4.480 -0.000 0.000 0.206 20 M C -1.978 174.361 176.300 0.066 0.000 0.976 20 M CA -1.277 54.104 55.300 0.136 0.000 0.648 20 M CB 1.588 34.262 32.600 0.124 0.000 1.474 20 M HN -0.263 nan 8.290 nan 0.000 0.398 21 P HA -0.158 nan 4.420 nan 0.000 0.219 21 P C 1.362 178.662 177.300 -0.000 0.000 1.146 21 P CA 1.477 64.568 63.100 -0.014 0.000 0.808 21 P CB -0.181 31.490 31.700 -0.049 0.000 0.779 22 T N -5.723 108.843 114.554 0.021 0.000 3.051 22 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 22 T C 1.699 176.413 174.700 0.023 0.000 1.127 22 T CA 1.387 63.500 62.100 0.021 0.000 1.107 22 T CB -1.430 67.458 68.868 0.033 0.000 0.898 22 T HN 0.017 nan 8.240 nan 0.000 0.517 23 T N 0.851 115.420 114.554 0.026 0.000 3.023 23 T HA 0.452 4.802 4.350 -0.000 0.000 0.266 23 T C 0.928 175.642 174.700 0.022 0.000 1.093 23 T CA 1.050 63.164 62.100 0.023 0.000 1.129 23 T CB -0.662 68.223 68.868 0.029 0.000 0.899 23 T HN 0.991 nan 8.240 nan 0.000 0.491 24 G N 1.339 110.151 108.800 0.021 0.000 2.408 24 G HA2 0.075 4.035 3.960 -0.000 0.000 0.682 24 G HA3 0.075 4.035 3.960 -0.000 0.000 0.682 24 G C -3.335 171.583 174.900 0.030 0.000 1.303 24 G CA -0.962 44.156 45.100 0.029 0.000 0.966 24 G HN 0.074 nan 8.290 nan 0.000 0.560 25 P HA 0.720 nan 4.420 nan 0.000 0.283 25 P C -0.459 176.902 177.300 0.102 0.000 1.271 25 P CA 0.180 63.321 63.100 0.067 0.000 0.841 25 P CB 1.987 33.739 31.700 0.088 0.000 1.122 26 A N 0.534 123.444 122.820 0.151 0.000 2.572 26 A HA 0.603 4.923 4.320 -0.000 0.000 0.295 26 A C -0.517 177.221 177.584 0.258 0.000 1.072 26 A CA -0.542 51.617 52.037 0.203 0.000 0.691 26 A CB 0.733 19.869 19.000 0.226 0.000 1.291 26 A HN 0.383 nan 8.150 nan 0.000 0.404 27 S N 0.780 116.617 115.700 0.228 0.000 2.564 27 S HA 0.362 4.832 4.470 -0.000 0.000 0.278 27 S C 0.295 174.877 174.600 -0.029 0.000 1.333 27 S CA -0.160 58.145 58.200 0.175 0.000 1.048 27 S CB 0.077 63.445 63.200 0.280 0.000 0.900 27 S HN 0.463 nan 8.310 nan 0.000 0.505 28 I N 4.920 125.358 120.570 -0.219 0.000 2.598 28 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 28 I C -1.565 174.216 176.117 -0.560 0.000 1.140 28 I CA -1.413 59.462 61.300 -0.709 0.000 1.420 28 I CB 0.395 38.082 38.000 -0.521 0.000 1.387 28 I HN 0.426 nan 8.210 nan 0.000 0.553 29 P HA 0.110 nan 4.420 nan 0.000 0.214 29 P C -1.058 176.079 177.300 -0.272 0.000 1.807 29 P CA -0.265 62.622 63.100 -0.355 0.000 0.921 29 P CB -0.403 31.112 31.700 -0.310 0.000 1.835 30 D N -1.024 119.230 120.400 -0.244 0.000 2.541 30 D HA 0.123 4.763 4.640 -0.000 0.000 0.276 30 D C 0.444 176.724 176.300 -0.033 0.000 1.190 30 D CA -0.375 53.550 54.000 -0.125 0.000 1.095 30 D CB -0.003 40.735 40.800 -0.103 0.000 1.173 30 D HN -0.176 nan 8.370 nan 0.000 0.604 31 D N -1.331 119.070 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 -0.000 0.000 0.214 31 D C -0.009 176.318 176.300 0.046 0.000 1.063 31 D CA 0.321 54.334 54.000 0.022 0.000 0.847 31 D CB 0.078 40.889 40.800 0.019 0.000 0.933 31 D HN 0.273 nan 8.370 nan 0.000 0.513 32 T N 2.120 116.712 114.554 0.062 0.000 4.104 32 T HA 0.179 4.529 4.350 -0.000 0.000 0.285 32 T C 0.893 175.697 174.700 0.172 0.000 1.346 32 T CA -0.093 62.078 62.100 0.118 0.000 1.158 32 T CB -0.332 68.616 68.868 0.134 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.406 124.721 121.223 0.153 0.000 2.404 33 L HA 0.256 4.596 4.340 -0.000 0.000 0.277 33 L C 0.770 177.849 176.870 0.348 0.000 1.184 33 L CA 0.041 55.022 54.840 0.236 0.000 1.013 33 L CB -0.078 42.034 42.059 0.088 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.945 123.338 120.200 0.321 0.000 2.207 34 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 34 E C -0.605 176.015 176.600 0.033 0.000 0.927 34 E CA -0.954 55.504 56.400 0.097 0.000 0.799 34 E CB 2.435 31.972 29.700 -0.272 0.000 1.172 34 E HN 0.319 nan 8.360 nan 0.000 0.404 35 K N 3.468 123.637 120.400 -0.385 0.000 2.412 35 K HA 0.048 4.368 4.320 -0.000 0.000 0.284 35 K C 0.227 176.743 176.600 -0.140 0.000 1.046 35 K CA 0.317 56.319 56.287 -0.476 0.000 0.999 35 K CB 0.141 32.311 32.500 -0.550 0.000 0.941 35 K HN 0.524 nan 8.250 nan 0.000 0.474 36 H N -0.231 118.776 119.070 -0.105 0.000 2.959 36 H HA 0.483 5.039 4.556 -0.000 0.000 0.296 36 H C -1.079 174.281 175.328 0.053 0.000 1.421 36 H CA -0.801 55.259 56.048 0.019 0.000 1.206 36 H CB 1.929 31.795 29.762 0.173 0.000 1.891 36 H HN 0.403 nan 8.280 nan 0.000 0.573 37 T N 0.599 115.268 114.554 0.192 0.000 2.906 37 T HA 0.542 4.892 4.350 -0.000 0.000 0.295 37 T C -0.887 173.953 174.700 0.234 0.000 1.061 37 T CA -0.738 61.436 62.100 0.124 0.000 1.000 37 T CB 1.113 70.059 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.488 124.817 121.223 0.178 0.000 2.307 38 L HA 0.741 5.081 4.340 -0.000 0.000 0.284 38 L C 0.028 176.979 176.870 0.135 0.000 1.023 38 L CA -0.746 54.207 54.840 0.189 0.000 0.810 38 L CB 1.594 43.760 42.059 0.179 0.000 1.231 38 L HN 0.506 nan 8.230 nan 0.000 0.423 39 R N 0.893 121.478 120.500 0.142 0.000 2.771 39 R HA 0.602 4.942 4.340 -0.000 0.000 0.274 39 R C -1.293 175.120 176.300 0.188 0.000 0.987 39 R CA -0.472 55.712 56.100 0.139 0.000 0.908 39 R CB 2.497 32.847 30.300 0.084 0.000 1.213 39 R HN 0.521 nan 8.270 nan 0.000 0.468 40 S N 1.177 116.971 115.700 0.158 0.000 2.472 40 S HA 0.499 4.969 4.470 -0.000 0.000 0.303 40 S C -1.112 173.601 174.600 0.189 0.000 1.099 40 S CA -0.850 57.440 58.200 0.150 0.000 1.077 40 S CB 1.479 64.731 63.200 0.088 0.000 1.031 40 S HN 0.316 nan 8.310 nan 0.000 0.487 41 E N 2.337 122.680 120.200 0.237 0.000 2.224 41 E HA 0.338 4.688 4.350 -0.000 0.000 0.265 41 E C -0.399 176.299 176.600 0.162 0.000 0.878 41 E CA -0.494 56.037 56.400 0.219 0.000 0.759 41 E CB 2.029 31.913 29.700 0.308 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.565 114.054 114.554 0.109 0.000 2.882 42 T HA 0.505 4.855 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 -0.612 61.534 62.100 0.076 0.000 1.049 42 T CB 0.963 69.855 68.868 0.040 0.000 1.001 42 T HN 0.117 nan 8.240 nan 0.000 0.525 43 S N 1.322 117.073 115.700 0.086 0.000 2.561 43 S HA 0.667 5.137 4.470 -0.000 0.000 0.303 43 S C -0.321 174.302 174.600 0.039 0.000 1.110 43 S CA -0.923 57.348 58.200 0.118 0.000 1.034 43 S CB 1.406 64.756 63.200 0.251 0.000 1.010 43 S HN 1.069 nan 8.310 nan 0.000 0.482 44 T N 1.168 115.620 114.554 -0.169 0.000 2.881 44 T HA 0.716 5.066 4.350 -0.000 0.000 0.291 44 T C -1.310 173.082 174.700 -0.514 0.000 0.990 44 T CA -0.521 61.461 62.100 -0.198 0.000 0.976 44 T CB 0.421 69.199 68.868 -0.150 0.000 0.970 44 T HN 0.420 nan 8.240 nan 0.000 0.438 45 Y N 1.468 121.772 120.300 0.007 0.000 2.492 45 Y HA 0.553 5.103 4.550 -0.000 0.000 0.346 45 Y C -0.165 175.710 175.900 -0.042 0.000 0.997 45 Y CA -1.233 56.856 58.100 -0.017 0.000 1.025 45 Y CB 2.329 40.774 38.460 -0.025 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.948 122.701 118.700 0.089 0.000 2.621 46 N HA 0.382 5.122 4.740 -0.000 0.000 0.237 46 N C -1.307 174.208 175.510 0.008 0.000 0.997 46 N CA -0.298 52.766 53.050 0.023 0.000 0.918 46 N CB 0.935 39.423 38.487 0.001 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.961 122.146 121.223 -0.063 0.000 2.350 47 L HA 0.428 4.768 4.340 -0.000 0.000 0.275 47 L C 0.719 177.548 176.870 -0.068 0.000 1.099 47 L CA -0.402 54.366 54.840 -0.120 0.000 0.808 47 L CB 0.805 42.603 42.059 -0.435 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.831 116.397 114.554 0.020 0.000 2.799 48 T HA 0.339 4.689 4.350 -0.000 0.000 0.286 48 T C 0.087 174.854 174.700 0.112 0.000 0.973 48 T CA -0.485 61.641 62.100 0.043 0.000 1.035 48 T CB 1.669 70.564 68.868 0.045 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.468 123.431 119.914 0.082 0.000 2.555 49 V HA 0.459 4.579 4.120 -0.000 0.000 0.286 49 V C 1.219 177.394 176.094 0.135 0.000 1.044 49 V CA -0.266 62.128 62.300 0.157 0.000 1.026 49 V CB 1.017 32.906 31.823 0.109 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.359 111.254 108.800 0.157 0.000 2.535 50 G HA2 0.172 4.132 3.960 -0.000 0.000 0.282 50 G HA3 0.172 4.132 3.960 -0.000 0.000 0.282 50 G C 0.542 175.480 174.900 0.064 0.000 1.350 50 G CA -0.233 44.920 45.100 0.089 0.000 1.039 50 G HN 0.674 nan 8.290 nan 0.000 0.509 51 D N -0.512 119.908 120.400 0.034 0.000 2.158 51 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 51 D C 2.798 179.105 176.300 0.012 0.000 0.995 51 D CA 2.106 56.117 54.000 0.018 0.000 0.846 51 D CB -0.261 40.541 40.800 0.004 0.000 0.941 51 D HN 0.450 nan 8.370 nan 0.000 0.456 52 T N -3.604 110.952 114.554 0.003 0.000 3.088 52 T HA 0.224 4.574 4.350 -0.000 0.000 0.259 52 T C 1.667 176.368 174.700 0.002 0.000 1.122 52 T CA 0.850 62.941 62.100 -0.017 0.000 1.095 52 T CB 0.158 68.993 68.868 -0.054 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.220 109.051 108.800 0.051 0.000 2.160 53 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.251 53 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.251 53 G C 0.043 175.031 174.900 0.146 0.000 1.008 53 G CA 0.286 45.446 45.100 0.101 0.000 0.724 53 G HN 1.000 nan 8.290 nan 0.000 0.514 54 S N -1.325 114.415 115.700 0.067 0.000 2.546 54 S HA 0.930 5.400 4.470 -0.000 0.000 0.274 54 S C 0.098 174.486 174.600 -0.352 0.000 1.121 54 S CA 0.718 58.827 58.200 -0.151 0.000 0.887 54 S CB 1.848 64.955 63.200 -0.155 0.000 1.094 54 S HN 1.938 nan 8.310 nan 0.000 0.474 55 G N 1.104 109.371 108.800 -0.888 0.000 2.488 55 G HA2 0.559 4.519 3.960 -0.000 0.000 0.301 55 G HA3 0.559 4.519 3.960 -0.000 0.000 0.301 55 G C -2.481 172.161 174.900 -0.431 0.000 1.339 55 G CA -0.526 44.215 45.100 -0.598 0.000 0.803 55 G HN 1.000 nan 8.290 nan 0.000 0.482 56 L N -0.120 121.135 121.223 0.054 0.000 2.464 56 L HA 0.781 5.121 4.340 -0.000 0.000 0.266 56 L C -1.204 175.778 176.870 0.186 0.000 0.965 56 L CA -0.657 54.246 54.840 0.104 0.000 0.833 56 L CB 1.788 43.842 42.059 -0.009 0.000 1.296 56 L HN 0.519 nan 8.230 nan 0.000 0.405 57 I N 5.362 125.975 120.570 0.073 0.000 2.339 57 I HA 0.443 4.613 4.170 -0.000 0.000 0.290 57 I C -0.655 175.223 176.117 -0.398 0.000 0.994 57 I CA -0.908 60.287 61.300 -0.176 0.000 1.191 57 I CB 1.847 39.633 38.000 -0.357 0.000 1.343 57 I HN 0.254 nan 8.210 nan 0.000 0.458 58 V N 7.300 126.935 119.914 -0.465 0.000 2.350 58 V HA 0.362 4.482 4.120 -0.000 0.000 0.276 58 V C -0.275 175.337 176.094 -0.803 0.000 1.028 58 V CA -0.324 61.642 62.300 -0.558 0.000 0.860 58 V CB 0.816 32.331 31.823 -0.512 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.101 123.775 119.950 -0.459 0.000 2.458 59 F HA 0.583 5.110 4.527 -0.000 0.000 0.330 59 F C -0.016 175.462 175.800 -0.536 0.000 1.082 59 F CA -0.626 57.123 58.000 -0.418 0.000 0.995 59 F CB 1.755 40.663 39.000 -0.153 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.635 123.758 119.950 0.287 0.000 2.334 60 F HA 0.280 4.807 4.527 -0.000 0.000 0.343 60 F C -1.636 174.308 175.800 0.241 0.000 1.136 60 F CA -1.816 56.325 58.000 0.234 0.000 1.237 60 F CB 0.249 39.381 39.000 0.220 0.000 1.525 60 F HN 0.269 nan 8.300 nan 0.000 0.528 61 P HA -0.132 nan 4.420 nan 0.000 0.219 61 P C 1.386 178.790 177.300 0.174 0.000 1.146 61 P CA 1.246 64.439 63.100 0.154 0.000 0.808 61 P CB 0.318 32.063 31.700 0.074 0.000 0.779 62 G N -1.691 107.245 108.800 0.226 0.000 3.337 62 G HA2 0.048 4.007 3.960 -0.000 0.000 0.246 62 G HA3 0.048 4.007 3.960 -0.000 0.000 0.246 62 G C -0.162 174.892 174.900 0.256 0.000 1.131 62 G CA -0.390 44.821 45.100 0.186 0.000 0.773 62 G HN 0.151 nan 8.290 nan 0.000 0.544 63 F N 3.177 123.261 119.950 0.223 0.000 2.571 63 F HA 0.283 4.810 4.527 -0.000 0.000 0.384 63 F C -1.593 174.357 175.800 0.249 0.000 1.058 63 F CA -2.435 55.698 58.000 0.222 0.000 1.200 63 F CB 1.100 40.235 39.000 0.224 0.000 1.077 63 F HN -0.052 nan 8.300 nan 0.000 0.558 64 P HA 0.319 nan 4.420 nan 0.000 0.238 64 P C -0.047 177.182 177.300 -0.119 0.000 1.794 64 P CA 0.359 63.405 63.100 -0.091 0.000 1.088 64 P CB 0.233 31.799 31.700 -0.224 0.000 1.923 65 G N 0.432 109.421 108.800 0.315 0.000 2.368 65 G HA2 -0.000 3.959 3.960 -0.000 0.000 0.269 65 G HA3 -0.000 3.959 3.960 -0.000 0.000 0.269 65 G C 0.228 175.385 174.900 0.428 0.000 1.291 65 G CA -0.348 44.901 45.100 0.250 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.420 115.461 115.700 0.301 0.000 2.593 66 S HA 0.293 4.763 4.470 -0.000 0.000 0.217 66 S C 0.935 175.626 174.600 0.151 0.000 0.966 66 S CA 0.070 58.387 58.200 0.195 0.000 0.914 66 S CB -0.253 63.011 63.200 0.107 0.000 0.776 66 S HN 0.349 nan 8.310 nan 0.000 0.523 67 I N 1.324 121.876 120.570 -0.029 0.000 2.337 67 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 67 I C 0.834 176.929 176.117 -0.036 0.000 1.046 67 I CA -0.127 61.005 61.300 -0.281 0.000 1.324 67 I CB 1.445 38.906 38.000 -0.898 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.323 125.338 119.914 0.169 0.000 2.922 68 V HA 0.436 4.556 4.120 -0.000 0.000 0.242 68 V C 0.942 177.274 176.094 0.396 0.000 1.094 68 V CA 1.057 63.546 62.300 0.315 0.000 1.106 68 V CB 0.415 32.425 31.823 0.310 0.000 0.799 68 V HN 0.961 nan 8.190 nan 0.000 0.474 69 G N -1.117 107.831 108.800 0.246 0.000 2.348 69 G HA2 0.661 4.621 3.960 -0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 -0.000 0.000 0.296 69 G C -1.840 173.030 174.900 -0.049 0.000 1.258 69 G CA 0.156 45.245 45.100 -0.018 0.000 0.868 69 G HN 0.656 nan 8.290 nan 0.000 0.488 70 A N -0.621 122.068 122.820 -0.219 0.000 2.549 70 A HA 0.790 5.110 4.320 -0.000 0.000 0.297 70 A C -1.289 176.123 177.584 -0.287 0.000 1.061 70 A CA -0.442 51.496 52.037 -0.163 0.000 0.690 70 A CB 1.547 20.561 19.000 0.023 0.000 1.287 70 A HN 1.201 nan 8.150 nan 0.000 0.402 71 H N 1.222 119.993 119.070 -0.499 0.000 2.466 71 H HA 0.645 5.201 4.556 -0.000 0.000 0.338 71 H C -1.804 173.225 175.328 -0.498 0.000 1.091 71 H CA -0.286 55.528 56.048 -0.389 0.000 1.207 71 H CB 0.906 30.489 29.762 -0.299 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.130 122.213 120.300 -0.362 0.000 2.425 72 Y HA 0.171 4.721 4.550 -0.000 0.000 0.344 72 Y C 0.455 176.185 175.900 -0.283 0.000 0.969 72 Y CA -0.824 57.145 58.100 -0.218 0.000 1.052 72 Y CB 2.137 40.663 38.460 0.109 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.556 115.063 114.554 -0.079 0.000 2.922 73 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 73 T C -0.757 173.986 174.700 0.072 0.000 1.005 73 T CA -0.755 61.342 62.100 -0.005 0.000 1.061 73 T CB 1.395 70.254 68.868 -0.015 0.000 1.007 73 T HN 0.459 nan 8.240 nan 0.000 0.502 74 L N 1.873 123.063 121.223 -0.055 0.000 2.334 74 L HA 0.445 4.785 4.340 -0.000 0.000 0.277 74 L C -0.051 176.721 176.870 -0.163 0.000 1.075 74 L CA -0.026 54.659 54.840 -0.259 0.000 0.804 74 L CB 1.138 42.983 42.059 -0.356 0.000 1.174 74 L HN 0.760 nan 8.230 nan 0.000 0.438 75 Q N 2.362 122.051 119.800 -0.184 0.000 2.297 75 Q HA 0.356 4.696 4.340 -0.000 0.000 0.269 75 Q C 0.921 176.855 176.000 -0.109 0.000 1.051 75 Q CA -0.175 55.564 55.803 -0.107 0.000 0.869 75 Q CB 1.454 30.147 28.738 -0.075 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.646 110.402 108.800 -0.072 0.000 2.556 76 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.220 76 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.220 76 G C 0.882 175.737 174.900 -0.074 0.000 1.156 76 G CA 1.425 46.486 45.100 -0.064 0.000 0.766 76 G HN 0.843 nan 8.290 nan 0.000 0.583 77 N N 0.798 119.453 118.700 -0.076 0.000 2.515 77 N HA 0.134 4.874 4.740 -0.000 0.000 0.191 77 N C 1.551 176.999 175.510 -0.102 0.000 1.182 77 N CA 1.008 54.012 53.050 -0.076 0.000 0.879 77 N CB 0.066 38.516 38.487 -0.063 0.000 0.984 77 N HN 0.581 nan 8.380 nan 0.000 0.453 78 G N 0.420 109.137 108.800 -0.139 0.000 2.176 78 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 78 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 78 G C -0.213 174.535 174.900 -0.253 0.000 0.979 78 G CA -0.194 44.794 45.100 -0.187 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.149 118.424 118.700 -0.211 0.000 2.515 79 N HA 0.558 5.298 4.740 -0.000 0.000 0.279 79 N C -0.086 175.268 175.510 -0.260 0.000 1.164 79 N CA -0.262 52.669 53.050 -0.198 0.000 0.982 79 N CB 0.454 38.880 38.487 -0.101 0.000 1.170 79 N HN 0.230 nan 8.380 nan 0.000 0.474 80 Y N 0.283 120.516 120.300 -0.111 0.000 2.301 80 Y HA 0.243 4.793 4.550 -0.000 0.000 0.328 80 Y C 1.003 176.936 175.900 0.055 0.000 1.242 80 Y CA 0.090 58.173 58.100 -0.028 0.000 1.323 80 Y CB 1.025 39.442 38.460 -0.071 0.000 1.266 80 Y HN 0.195 nan 8.280 nan 0.000 0.527 81 K N 3.232 123.821 120.400 0.315 0.000 2.471 81 K HA 0.254 4.574 4.320 -0.000 0.000 0.252 81 K C -1.448 175.360 176.600 0.346 0.000 0.938 81 K CA -0.800 55.650 56.287 0.271 0.000 0.796 81 K CB 0.906 33.480 32.500 0.123 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.831 123.926 119.950 0.243 0.000 2.607 82 F HA -0.026 4.501 4.527 -0.000 0.000 0.374 82 F C 0.884 176.620 175.800 -0.108 0.000 1.104 82 F CA 0.675 58.670 58.000 -0.009 0.000 1.296 82 F CB 0.807 39.827 39.000 0.033 0.000 1.085 82 F HN 0.819 nan 8.300 nan 0.000 0.584 83 D N 2.326 122.132 120.400 -0.990 0.000 2.805 83 D HA 0.106 4.746 4.640 -0.000 0.000 0.271 83 D C -0.612 175.006 176.300 -1.137 0.000 1.166 83 D CA 0.923 54.463 54.000 -0.768 0.000 1.004 83 D CB 0.219 40.759 40.800 -0.434 0.000 1.136 83 D HN 0.677 nan 8.370 nan 0.000 0.444 84 Q N -0.884 118.148 119.800 -1.280 0.000 2.578 84 Q HA 0.322 4.662 4.340 -0.000 0.000 0.284 84 Q C -1.090 174.646 176.000 -0.441 0.000 0.960 84 Q CA -1.037 54.278 55.803 -0.813 0.000 0.809 84 Q CB 1.106 29.643 28.738 -0.334 0.000 1.462 84 Q HN -0.048 nan 8.270 nan 0.000 0.392 85 M N 1.806 121.396 119.600 -0.016 0.000 2.243 85 M HA 0.354 4.834 4.480 -0.000 0.000 0.341 85 M C -0.524 175.647 176.300 -0.216 0.000 1.130 85 M CA -0.007 55.305 55.300 0.021 0.000 1.162 85 M CB 0.001 32.668 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.704 125.777 121.223 -0.250 0.000 2.272 86 L HA 0.553 4.893 4.340 -0.000 0.000 0.289 86 L C -0.446 176.416 176.870 -0.013 0.000 1.032 86 L CA -0.372 54.188 54.840 -0.466 0.000 0.810 86 L CB 0.662 42.487 42.059 -0.390 0.000 1.205 86 L HN 0.564 nan 8.230 nan 0.000 0.422 87 L N 1.280 122.642 121.223 0.232 0.000 2.279 87 L HA 0.571 4.911 4.340 -0.000 0.000 0.262 87 L C 0.520 177.595 176.870 0.341 0.000 1.019 87 L CA -0.799 54.207 54.840 0.276 0.000 0.823 87 L CB 1.926 44.121 42.059 0.226 0.000 1.358 87 L HN 0.383 nan 8.230 nan 0.000 0.432 88 T N 0.258 114.959 114.554 0.246 0.000 2.903 88 T HA 0.093 4.443 4.350 -0.000 0.000 0.314 88 T C 1.137 175.929 174.700 0.153 0.000 1.078 88 T CA 0.513 62.742 62.100 0.214 0.000 1.114 88 T CB 1.405 70.396 68.868 0.206 0.000 0.987 88 T HN 0.727 nan 8.240 nan 0.000 0.548 89 A N 2.643 125.530 122.820 0.112 0.000 1.908 89 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 89 A C 1.027 178.648 177.584 0.062 0.000 1.181 89 A CA 1.451 53.521 52.037 0.055 0.000 0.627 89 A CB -0.364 18.661 19.000 0.041 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.520 118.328 119.800 0.080 0.000 2.433 90 Q HA 0.490 4.830 4.340 -0.000 0.000 0.279 90 Q C -1.220 174.826 176.000 0.076 0.000 1.105 90 Q CA -0.979 54.867 55.803 0.072 0.000 0.815 90 Q CB 0.783 29.562 28.738 0.069 0.000 1.403 90 Q HN 0.136 nan 8.270 nan 0.000 0.435 91 N N 1.622 120.361 118.700 0.065 0.000 2.415 91 N HA 0.130 4.870 4.740 -0.000 0.000 0.250 91 N C 0.484 176.030 175.510 0.061 0.000 1.127 91 N CA -0.008 53.078 53.050 0.060 0.000 0.945 91 N CB 0.315 38.832 38.487 0.049 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.482 125.737 121.223 0.053 0.000 2.043 92 L HA -0.123 4.217 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 1.265 56.157 54.840 0.087 0.000 0.752 92 L CB -1.070 40.932 42.059 -0.095 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.129 nan 4.420 nan 0.000 0.228 93 P C 1.087 178.389 177.300 0.003 0.000 1.151 93 P CA 1.265 64.378 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 -1.296 121.527 122.820 0.005 0.000 2.119 94 A HA 0.007 4.327 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 1.529 53.551 52.037 -0.024 0.000 0.708 94 A CB -0.548 18.446 19.000 -0.011 0.000 0.805 94 A HN 0.139 nan 8.150 nan 0.000 0.460 95 S N -2.778 112.852 115.700 -0.117 0.000 2.631 95 S HA 0.338 4.808 4.470 -0.000 0.000 0.246 95 S C -0.415 173.831 174.600 -0.590 0.000 1.068 95 S CA -0.242 57.738 58.200 -0.367 0.000 0.995 95 S CB 0.148 63.059 63.200 -0.483 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.049 121.336 120.300 -0.023 0.000 2.536 96 Y HA 0.522 5.072 4.550 -0.000 0.000 0.347 96 Y C 0.718 176.590 175.900 -0.047 0.000 1.000 96 Y CA -1.074 57.020 58.100 -0.011 0.000 1.051 96 Y CB 1.045 39.503 38.460 -0.003 0.000 1.259 96 Y HN -0.146 nan 8.280 nan 0.000 0.468 97 N N -0.030 118.739 118.700 0.115 0.000 2.407 97 N HA 0.085 4.825 4.740 -0.000 0.000 0.182 97 N C -1.156 174.152 175.510 -0.336 0.000 1.079 97 N CA 0.523 53.497 53.050 -0.126 0.000 0.882 97 N CB 0.448 38.854 38.487 -0.134 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.030 119.347 120.300 0.128 0.000 2.545 98 Y HA 0.547 5.097 4.550 -0.000 0.000 0.348 98 Y C -0.165 175.863 175.900 0.213 0.000 1.002 98 Y CA -1.154 57.041 58.100 0.158 0.000 1.039 98 Y CB 2.210 40.774 38.460 0.173 0.000 1.271 98 Y HN -0.111 nan 8.280 nan 0.000 0.467 99 C N 2.431 121.941 119.300 0.351 0.000 3.239 99 C HA 0.846 5.306 4.460 -0.000 0.000 0.329 99 C C -1.798 173.169 174.990 -0.038 0.000 1.252 99 C CA -0.717 58.382 59.018 0.135 0.000 1.323 99 C CB 1.817 29.547 27.740 -0.018 0.000 1.663 99 C HN 1.030 nan 8.230 nan 0.000 0.487 100 R N 2.687 123.146 120.500 -0.069 0.000 2.548 100 R HA 0.659 4.999 4.340 -0.000 0.000 0.280 100 R C -1.736 174.617 176.300 0.089 0.000 1.061 100 R CA -0.647 55.374 56.100 -0.131 0.000 0.915 100 R CB 1.680 31.645 30.300 -0.557 0.000 1.210 100 R HN 0.817 nan 8.270 nan 0.000 0.442 101 L N 4.712 126.009 121.223 0.122 0.000 2.319 101 L HA 0.225 4.565 4.340 -0.000 0.000 0.280 101 L C 0.151 177.042 176.870 0.034 0.000 1.099 101 L CA 0.392 55.259 54.840 0.046 0.000 0.828 101 L CB 1.602 43.700 42.059 0.066 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.560 122.452 119.914 -0.036 0.000 2.492 102 V HA 0.254 4.374 4.120 -0.000 0.000 0.241 102 V C 0.569 176.722 176.094 0.099 0.000 1.041 102 V CA 1.135 63.499 62.300 0.107 0.000 1.057 102 V CB 0.035 31.915 31.823 0.095 0.000 0.711 102 V HN 0.942 nan 8.190 nan 0.000 0.468 103 S N -0.304 115.360 115.700 -0.060 0.000 2.597 103 S HA 0.717 5.187 4.470 -0.000 0.000 0.274 103 S C -0.944 173.575 174.600 -0.136 0.000 1.132 103 S CA -0.915 57.239 58.200 -0.076 0.000 0.835 103 S CB 2.623 65.762 63.200 -0.101 0.000 1.092 103 S HN 0.485 nan 8.310 nan 0.000 0.457 104 R N 0.444 120.882 120.500 -0.103 0.000 2.579 104 R HA 0.668 5.008 4.340 -0.000 0.000 0.260 104 R C -1.688 174.541 176.300 -0.118 0.000 1.103 104 R CA 0.002 56.033 56.100 -0.116 0.000 0.942 104 R CB 1.700 31.938 30.300 -0.102 0.000 1.251 104 R HN 1.307 nan 8.270 nan 0.000 0.450 105 S N 3.977 119.596 115.700 -0.135 0.000 2.549 105 S HA 0.773 5.243 4.470 -0.000 0.000 0.280 105 S C -1.187 173.286 174.600 -0.212 0.000 1.109 105 S CA -0.809 57.273 58.200 -0.196 0.000 0.905 105 S CB 1.757 64.826 63.200 -0.217 0.000 1.081 105 S HN 0.433 nan 8.310 nan 0.000 0.477 106 L N 1.849 122.897 121.223 -0.292 0.000 2.422 106 L HA 0.749 5.089 4.340 -0.000 0.000 0.264 106 L C -0.233 176.503 176.870 -0.223 0.000 0.984 106 L CA -0.567 54.100 54.840 -0.287 0.000 0.819 106 L CB 2.808 44.520 42.059 -0.580 0.000 1.330 106 L HN 1.005 nan 8.230 nan 0.000 0.410 107 T N -0.493 113.994 114.554 -0.111 0.000 2.829 107 T HA 0.796 5.146 4.350 -0.000 0.000 0.280 107 T C -0.775 173.938 174.700 0.022 0.000 0.999 107 T CA -0.738 61.331 62.100 -0.052 0.000 0.983 107 T CB 1.705 70.550 68.868 -0.038 0.000 0.968 107 T HN 0.213 nan 8.240 nan 0.000 0.446 108 V N 4.772 124.717 119.914 0.051 0.000 2.409 108 V HA 0.729 4.849 4.120 -0.000 0.000 0.290 108 V C -0.015 176.103 176.094 0.041 0.000 1.017 108 V CA -0.855 61.490 62.300 0.076 0.000 0.841 108 V CB 0.934 32.847 31.823 0.150 0.000 1.003 108 V HN 1.139 nan 8.190 nan 0.000 0.426 109 R N 2.385 122.890 120.500 0.008 0.000 2.710 109 R HA 0.717 5.056 4.340 -0.000 0.000 0.270 109 R C -0.703 175.575 176.300 -0.037 0.000 1.021 109 R CA -0.621 55.477 56.100 -0.003 0.000 0.889 109 R CB 1.910 32.217 30.300 0.010 0.000 1.243 109 R HN 0.574 nan 8.270 nan 0.000 0.464 110 S N 0.174 115.849 115.700 -0.041 0.000 2.565 110 S HA 0.194 4.664 4.470 -0.000 0.000 0.274 110 S C 0.538 175.118 174.600 -0.033 0.000 1.309 110 S CA -0.105 58.062 58.200 -0.055 0.000 1.043 110 S CB 1.407 64.573 63.200 -0.055 0.000 0.939 110 S HN 0.805 nan 8.310 nan 0.000 0.504 111 S N 0.635 116.314 115.700 -0.035 0.000 2.629 111 S HA 0.351 4.821 4.470 -0.000 0.000 0.236 111 S C 0.077 174.664 174.600 -0.021 0.000 1.010 111 S CA -0.415 57.771 58.200 -0.023 0.000 0.981 111 S CB 0.092 63.279 63.200 -0.021 0.000 0.919 111 S HN 0.728 nan 8.310 nan 0.000 0.514 112 T N 3.073 117.613 114.554 -0.025 0.000 3.041 112 T HA 0.558 4.908 4.350 -0.000 0.000 0.321 112 T C -1.925 172.763 174.700 -0.019 0.000 1.184 112 T CA -0.715 61.372 62.100 -0.020 0.000 1.050 112 T CB 1.472 70.328 68.868 -0.020 0.000 1.159 112 T HN 0.316 nan 8.240 nan 0.000 0.469 113 L N 2.053 123.266 121.223 -0.016 0.000 2.313 113 L HA 0.820 5.160 4.340 -0.000 0.000 0.283 113 L C -2.678 174.189 176.870 -0.005 0.000 1.013 113 L CA -2.671 52.162 54.840 -0.012 0.000 0.816 113 L CB -0.685 41.362 42.059 -0.020 0.000 1.236 113 L HN 0.246 nan 8.230 nan 0.000 0.419 114 P HA 0.234 nan 4.420 nan 0.000 0.270 114 P C 1.171 178.477 177.300 0.011 0.000 1.227 114 P CA 0.083 63.187 63.100 0.007 0.000 0.788 114 P CB 0.615 32.323 31.700 0.012 0.000 0.926 115 G N 0.952 109.759 108.800 0.012 0.000 2.513 115 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 115 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 115 G C 1.433 176.347 174.900 0.023 0.000 1.160 115 G CA 1.020 46.129 45.100 0.015 0.000 0.767 115 G HN 0.670 nan 8.290 nan 0.000 0.571 116 G N -0.751 108.066 108.800 0.028 0.000 2.939 116 G HA2 0.306 4.266 3.960 -0.000 0.000 0.210 116 G HA3 0.306 4.266 3.960 -0.000 0.000 0.210 116 G C 0.345 175.280 174.900 0.058 0.000 1.160 116 G CA 0.115 45.238 45.100 0.038 0.000 0.770 116 G HN 0.317 nan 8.290 nan 0.000 0.543 117 V N 1.341 121.287 119.914 0.053 0.000 2.508 117 V HA 0.069 4.189 4.120 -0.000 0.000 0.281 117 V C 1.094 177.245 176.094 0.096 0.000 1.041 117 V CA -0.581 61.761 62.300 0.070 0.000 1.016 117 V CB 0.838 32.686 31.823 0.042 0.000 0.984 117 V HN 0.374 nan 8.190 nan 0.000 0.478 118 Y N 5.190 125.492 120.300 0.004 0.000 2.153 118 Y HA 0.233 4.783 4.550 -0.000 0.000 0.289 118 Y C 1.120 177.022 175.900 0.005 0.000 1.127 118 Y CA 1.272 59.374 58.100 0.004 0.000 1.131 118 Y CB 0.170 38.632 38.460 0.004 0.000 0.995 118 Y HN 0.620 nan 8.280 nan 0.000 0.505 119 A N 0.295 123.104 122.820 -0.018 0.000 2.365 119 A HA 0.520 4.840 4.320 -0.000 0.000 0.318 119 A C -1.634 175.930 177.584 -0.033 0.000 1.091 119 A CA -0.782 51.185 52.037 -0.116 0.000 0.763 119 A CB 0.753 19.756 19.000 0.005 0.000 1.248 119 A HN 0.355 nan 8.150 nan 0.000 0.442 120 L N 2.949 124.140 121.223 -0.054 0.000 2.410 120 L HA 0.485 4.825 4.340 -0.000 0.000 0.273 120 L C -0.333 176.537 176.870 -0.001 0.000 1.152 120 L CA 0.438 55.265 54.840 -0.022 0.000 0.855 120 L CB 0.085 42.127 42.059 -0.028 0.000 1.129 120 L HN 0.875 nan 8.230 nan 0.000 0.463 121 N N 2.766 121.474 118.700 0.013 0.000 2.591 121 N HA 0.884 5.624 4.740 -0.000 0.000 0.263 121 N C -0.866 174.661 175.510 0.027 0.000 1.308 121 N CA -0.247 52.816 53.050 0.022 0.000 0.837 121 N CB 1.771 40.274 38.487 0.026 0.000 1.548 121 N HN 0.877 nan 8.380 nan 0.000 0.493 122 G N -0.842 107.979 108.800 0.035 0.000 2.368 122 G HA2 0.479 4.439 3.960 -0.000 0.000 0.301 122 G HA3 0.479 4.439 3.960 -0.000 0.000 0.301 122 G C -1.450 173.494 174.900 0.074 0.000 1.640 122 G CA -0.228 44.903 45.100 0.051 0.000 0.941 122 G HN 1.288 nan 8.290 nan 0.000 0.695 123 T N -1.643 112.973 114.554 0.103 0.000 2.883 123 T HA 0.829 5.179 4.350 -0.000 0.000 0.296 123 T C -0.581 174.307 174.700 0.312 0.000 1.117 123 T CA -0.874 61.330 62.100 0.174 0.000 1.006 123 T CB 2.104 71.080 68.868 0.180 0.000 1.191 123 T HN 0.781 nan 8.240 nan 0.000 0.508 124 I N 1.782 122.543 120.570 0.317 0.000 2.509 124 I HA 0.473 4.643 4.170 -0.000 0.000 0.293 124 I C -0.838 175.385 176.117 0.176 0.000 1.020 124 I CA -1.002 60.495 61.300 0.329 0.000 1.088 124 I CB 2.136 40.264 38.000 0.213 0.000 1.267 124 I HN 0.555 nan 8.210 nan 0.000 0.430 125 N N 4.038 122.703 118.700 -0.059 0.000 2.361 125 N HA 0.826 5.566 4.740 -0.000 0.000 0.302 125 N C -1.134 174.293 175.510 -0.139 0.000 1.074 125 N CA -0.484 52.393 53.050 -0.288 0.000 0.850 125 N CB 2.291 40.287 38.487 -0.820 0.000 1.228 125 N HN 0.723 nan 8.380 nan 0.000 0.491 126 A N 0.681 123.449 122.820 -0.087 0.000 2.515 126 A HA 0.792 5.112 4.320 -0.000 0.000 0.298 126 A C -1.177 176.382 177.584 -0.042 0.000 1.059 126 A CA -0.590 51.428 52.037 -0.032 0.000 0.698 126 A CB 1.007 20.023 19.000 0.028 0.000 1.289 126 A HN 0.381 nan 8.150 nan 0.000 0.404 127 V N -1.089 118.812 119.914 -0.020 0.000 3.049 127 V HA 0.805 4.925 4.120 -0.000 0.000 0.309 127 V C -0.303 175.811 176.094 0.033 0.000 1.148 127 V CA -0.725 61.572 62.300 -0.005 0.000 0.990 127 V CB 1.613 33.438 31.823 0.004 0.000 1.039 127 V HN 0.810 nan 8.190 nan 0.000 0.430 128 T N 3.777 118.352 114.554 0.035 0.000 2.758 128 T HA 0.605 4.955 4.350 -0.000 0.000 0.285 128 T C -0.932 173.837 174.700 0.116 0.000 0.981 128 T CA 0.083 62.220 62.100 0.062 0.000 0.965 128 T CB 0.756 69.632 68.868 0.013 0.000 0.927 128 T HN 0.659 nan 8.240 nan 0.000 0.448 129 F N 2.742 122.682 119.950 -0.017 0.000 2.436 129 F HA 0.344 4.871 4.527 -0.000 0.000 0.340 129 F C 0.825 176.626 175.800 0.002 0.000 1.113 129 F CA -0.949 57.044 58.000 -0.012 0.000 1.022 129 F CB 1.456 40.449 39.000 -0.011 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.606 124.021 119.800 -0.642 0.000 2.404 130 Q HA 0.313 4.653 4.340 -0.000 0.000 0.272 130 Q C 0.034 175.613 176.000 -0.701 0.000 0.939 130 Q CA -0.129 55.365 55.803 -0.515 0.000 0.945 130 Q CB 0.017 28.550 28.738 -0.342 0.000 1.195 130 Q HN 0.888 nan 8.270 nan 0.000 0.415 131 G N -0.628 107.644 108.800 -0.879 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 -0.897 174.092 174.900 0.148 0.000 1.415 131 G CA -0.647 44.207 45.100 -0.410 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.623 115.244 115.700 0.277 0.000 2.669 132 S HA 0.374 4.844 4.470 -0.000 0.000 0.270 132 S C 1.432 176.248 174.600 0.359 0.000 1.225 132 S CA -0.427 57.960 58.200 0.312 0.000 0.991 132 S CB 1.493 64.837 63.200 0.240 0.000 0.987 132 S HN 0.899 nan 8.310 nan 0.000 0.552 133 L N 1.742 123.127 121.223 0.271 0.000 2.013 133 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 133 L C 2.545 179.478 176.870 0.106 0.000 1.073 133 L CA 2.706 57.626 54.840 0.133 0.000 0.753 133 L CB -1.492 40.621 42.059 0.090 0.000 0.890 133 L HN 0.991 nan 8.230 nan 0.000 0.432 134 S N -1.926 113.865 115.700 0.151 0.000 2.507 134 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 134 S C 1.603 176.265 174.600 0.104 0.000 0.988 134 S CA 0.949 59.223 58.200 0.125 0.000 0.944 134 S CB -0.611 62.648 63.200 0.099 0.000 0.762 134 S HN 0.678 nan 8.310 nan 0.000 0.526 135 E N 0.441 120.739 120.200 0.163 0.000 2.371 135 E HA 0.212 4.562 4.350 -0.000 0.000 0.194 135 E C -0.155 176.476 176.600 0.052 0.000 1.012 135 E CA -0.145 56.379 56.400 0.206 0.000 0.860 135 E CB -0.090 29.847 29.700 0.395 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.996 123.062 121.223 -0.263 0.000 2.513 136 L HA -0.044 4.296 4.340 -0.000 0.000 0.272 136 L C 1.775 178.520 176.870 -0.209 0.000 1.187 136 L CA 0.128 54.642 54.840 -0.544 0.000 0.895 136 L CB 0.721 42.424 42.059 -0.592 0.000 1.147 136 L HN 0.170 nan 8.230 nan 0.000 0.483 137 T N -1.874 112.583 114.554 -0.162 0.000 2.985 137 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 137 T C 0.434 175.093 174.700 -0.068 0.000 1.076 137 T CA 0.326 62.383 62.100 -0.071 0.000 1.135 137 T CB 0.122 68.970 68.868 -0.032 0.000 0.890 137 T HN 0.513 nan 8.240 nan 0.000 0.480 138 D N 0.780 121.123 120.400 -0.094 0.000 2.736 138 D HA 0.310 4.949 4.640 -0.000 0.000 0.243 138 D C 0.248 176.511 176.300 -0.062 0.000 1.304 138 D CA -0.686 53.280 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 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.408 121.319 119.914 -0.005 0.000 3.319 139 V HA 0.299 4.419 4.120 -0.000 0.000 0.317 139 V C 0.775 176.942 176.094 0.122 0.000 1.411 139 V CA -0.032 62.283 62.300 0.025 0.000 1.112 139 V CB -0.488 31.384 31.823 0.081 0.000 1.031 139 V HN 0.453 nan 8.190 nan 0.000 0.448 140 S N -0.689 115.077 115.700 0.109 0.000 2.579 140 S HA 0.241 4.711 4.470 -0.000 0.000 0.275 140 S C 0.870 175.548 174.600 0.130 0.000 1.345 140 S CA 0.255 58.541 58.200 0.143 0.000 1.031 140 S CB 0.604 63.854 63.200 0.083 0.000 0.892 140 S HN 0.475 nan 8.310 nan 0.000 0.529 141 Y N 2.791 123.118 120.300 0.045 0.000 2.062 141 Y HA -0.323 4.226 4.550 -0.000 0.000 0.276 141 Y C 2.102 178.012 175.900 0.016 0.000 1.189 141 Y CA 2.732 60.846 58.100 0.024 0.000 1.130 141 Y CB -0.527 37.938 38.460 0.008 0.000 0.959 141 Y HN 0.725 nan 8.280 nan 0.000 0.499 142 N N -0.241 118.546 118.700 0.145 0.000 2.216 142 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 142 N C 2.029 177.525 175.510 -0.022 0.000 1.017 142 N CA 1.297 54.377 53.050 0.050 0.000 0.861 142 N CB -0.996 37.556 38.487 0.107 0.000 0.986 142 N HN 0.547 nan 8.380 nan 0.000 0.428 143 G N 1.710 110.507 108.800 -0.005 0.000 2.422 143 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 143 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 143 G C 1.664 176.533 174.900 -0.051 0.000 1.140 143 G CA 0.159 45.246 45.100 -0.021 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.150 121.327 121.223 -0.076 0.000 2.064 144 L HA -0.196 4.144 4.340 -0.000 0.000 0.216 144 L C 2.936 179.758 176.870 -0.081 0.000 1.077 144 L CA 1.164 55.946 54.840 -0.097 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 -0.600 118.946 119.600 -0.089 0.000 2.530 145 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 145 M C 1.722 177.999 176.300 -0.038 0.000 1.067 145 M CA 1.286 56.544 55.300 -0.070 0.000 1.071 145 M CB -0.966 31.590 32.600 -0.073 0.000 1.405 145 M HN 0.296 nan 8.290 nan 0.000 0.478 146 S N -1.130 114.554 115.700 -0.027 0.000 2.593 146 S HA 0.415 4.885 4.470 -0.000 0.000 0.236 146 S C 1.642 176.253 174.600 0.018 0.000 0.991 146 S CA 0.181 58.377 58.200 -0.007 0.000 0.963 146 S CB 0.027 63.223 63.200 -0.006 0.000 0.865 146 S HN 0.397 nan 8.310 nan 0.000 0.488 147 A N 1.915 124.749 122.820 0.024 0.000 2.015 147 A HA 0.170 4.490 4.320 -0.000 0.000 0.219 147 A C 1.210 178.913 177.584 0.199 0.000 1.163 147 A CA 1.001 53.099 52.037 0.102 0.000 0.646 147 A CB -0.420 18.612 19.000 0.054 0.000 0.806 147 A HN 0.508 nan 8.150 nan 0.000 0.448 148 T N -3.699 110.914 114.554 0.099 0.000 2.906 148 T HA 0.627 4.977 4.350 -0.000 0.000 0.295 148 T C 0.668 175.377 174.700 0.016 0.000 1.075 148 T CA -0.136 61.997 62.100 0.056 0.000 1.005 148 T CB 1.876 70.757 68.868 0.021 0.000 1.136 148 T HN 0.300 nan 8.240 nan 0.000 0.498 149 A N 0.752 123.571 122.820 -0.001 0.000 2.132 149 A HA 0.211 4.531 4.320 -0.000 0.000 0.213 149 A C 0.718 178.284 177.584 -0.031 0.000 1.154 149 A CA -0.051 51.977 52.037 -0.014 0.000 0.753 149 A CB -0.727 18.264 19.000 -0.014 0.000 0.826 149 A HN 0.846 nan 8.150 nan 0.000 0.469 150 N N 0.471 119.148 118.700 -0.038 0.000 2.416 150 N HA 0.164 4.904 4.740 -0.000 0.000 0.265 150 N C 0.666 176.132 175.510 -0.072 0.000 1.195 150 N CA -0.396 52.619 53.050 -0.058 0.000 0.943 150 N CB 0.878 39.325 38.487 -0.067 0.000 1.115 150 N HN 0.255 nan 8.380 nan 0.000 0.481 151 I N 2.832 123.354 120.570 -0.079 0.000 2.454 151 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 151 I C 1.066 177.101 176.117 -0.136 0.000 1.156 151 I CA 1.378 62.622 61.300 -0.093 0.000 1.433 151 I CB -0.088 37.861 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.464 119.067 118.700 -0.161 0.000 2.314 152 N HA 0.012 4.752 4.740 -0.000 0.000 0.200 152 N C 0.193 175.564 175.510 -0.232 0.000 1.135 152 N CA 0.379 53.284 53.050 -0.241 0.000 0.835 152 N CB 0.043 38.374 38.487 -0.261 0.000 0.989 152 N HN 0.414 nan 8.380 nan 0.000 0.478 153 D N 0.322 120.628 120.400 -0.156 0.000 2.479 153 D HA 0.076 4.716 4.640 -0.000 0.000 0.218 153 D C 0.090 176.337 176.300 -0.089 0.000 1.177 153 D CA 0.210 54.139 54.000 -0.118 0.000 0.830 153 D CB 0.883 41.637 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.052 120.284 120.400 -0.107 0.000 2.502 154 K HA 0.660 4.980 4.320 -0.000 0.000 0.257 154 K C -1.425 175.117 176.600 -0.098 0.000 0.938 154 K CA -0.892 55.345 56.287 -0.084 0.000 0.819 154 K CB 2.668 35.128 32.500 -0.066 0.000 1.333 154 K HN -0.179 nan 8.250 nan 0.000 0.434 155 I N 0.682 121.206 120.570 -0.077 0.000 2.656 155 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 155 I C -1.214 174.874 176.117 -0.049 0.000 1.144 155 I CA -0.096 61.167 61.300 -0.061 0.000 1.038 155 I CB 2.465 40.437 38.000 -0.046 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.211 112.992 108.800 -0.032 0.000 2.530 156 G HA2 0.422 4.382 3.960 -0.000 0.000 0.316 156 G HA3 0.422 4.382 3.960 -0.000 0.000 0.316 156 G C -0.515 174.401 174.900 0.027 0.000 1.298 156 G CA -0.463 44.621 45.100 -0.027 0.000 0.948 156 G HN 0.676 nan 8.290 nan 0.000 0.486 157 N N -0.208 118.534 118.700 0.071 0.000 2.738 157 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 157 N C 0.320 175.896 175.510 0.110 0.000 1.047 157 N CA 0.668 53.802 53.050 0.141 0.000 0.707 157 N CB -1.064 37.500 38.487 0.129 0.000 0.937 157 N HN 0.416 nan 8.380 nan 0.000 0.545 158 V N 1.138 121.116 119.914 0.106 0.000 2.614 158 V HA 0.108 4.228 4.120 -0.000 0.000 0.291 158 V C 1.456 177.613 176.094 0.107 0.000 1.049 158 V CA -0.514 61.844 62.300 0.096 0.000 1.038 158 V CB 1.005 32.884 31.823 0.094 0.000 0.980 158 V HN 0.171 nan 8.190 nan 0.000 0.481 159 L N 4.743 126.017 121.223 0.085 0.000 2.490 159 L HA 0.059 4.399 4.340 -0.000 0.000 0.274 159 L C 1.458 178.372 176.870 0.073 0.000 1.201 159 L CA -0.036 54.849 54.840 0.075 0.000 0.869 159 L CB 0.601 42.693 42.059 0.055 0.000 1.123 159 L HN 0.499 nan 8.230 nan 0.000 0.484 160 V N 3.415 123.371 119.914 0.070 0.000 2.490 160 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 160 V C 2.263 178.376 176.094 0.030 0.000 1.061 160 V CA 2.158 64.491 62.300 0.055 0.000 1.064 160 V CB -0.705 31.144 31.823 0.043 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.695 108.120 108.800 0.025 0.000 2.422 161 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 161 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 161 G C 1.554 176.468 174.900 0.023 0.000 1.146 161 G CA 0.966 46.075 45.100 0.015 0.000 0.769 161 G HN 0.573 nan 8.290 nan 0.000 0.547 162 E N 0.113 120.335 120.200 0.036 0.000 2.051 162 E HA 0.271 4.621 4.350 -0.000 0.000 0.189 162 E C 1.342 177.973 176.600 0.052 0.000 0.979 162 E CA 0.795 57.222 56.400 0.045 0.000 0.803 162 E CB -0.114 29.619 29.700 0.054 0.000 0.761 162 E HN 0.472 nan 8.360 nan 0.000 0.451 163 G N -0.085 108.750 108.800 0.059 0.000 2.710 163 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.668 163 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.668 163 G C -0.961 173.986 174.900 0.078 0.000 1.320 163 G CA -0.312 44.824 45.100 0.061 0.000 0.860 163 G HN 0.288 nan 8.290 nan 0.000 0.538 164 V N 0.222 120.183 119.914 0.077 0.000 2.769 164 V HA 0.824 4.944 4.120 -0.000 0.000 0.312 164 V C 0.339 176.459 176.094 0.044 0.000 1.061 164 V CA -0.104 62.248 62.300 0.088 0.000 0.931 164 V CB 2.364 34.249 31.823 0.103 0.000 1.010 164 V HN 1.167 nan 8.190 nan 0.000 0.433 165 T N 3.671 118.246 114.554 0.035 0.000 2.792 165 T HA 0.526 4.876 4.350 -0.000 0.000 0.280 165 T C -0.579 174.087 174.700 -0.058 0.000 0.990 165 T CA -0.310 61.717 62.100 -0.121 0.000 0.960 165 T CB 1.459 70.080 68.868 -0.412 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.732 124.554 119.914 -0.155 0.000 2.383 166 V HA 0.486 4.606 4.120 -0.000 0.000 0.275 166 V C -0.364 175.623 176.094 -0.178 0.000 1.036 166 V CA -0.747 61.472 62.300 -0.135 0.000 0.889 166 V CB 1.233 32.893 31.823 -0.272 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.904 126.097 121.223 -0.051 0.000 2.333 167 L HA 0.593 4.933 4.340 -0.000 0.000 0.280 167 L C 0.219 177.079 176.870 -0.016 0.000 1.004 167 L CA 0.237 55.050 54.840 -0.047 0.000 0.820 167 L CB 2.051 44.169 42.059 0.097 0.000 1.247 167 L HN 0.631 nan 8.230 nan 0.000 0.416 168 S N 5.976 121.652 115.700 -0.039 0.000 2.448 168 S HA 0.541 5.011 4.470 -0.000 0.000 0.279 168 S C -0.413 174.187 174.600 -0.000 0.000 1.195 168 S CA -0.522 57.667 58.200 -0.018 0.000 1.051 168 S CB -0.295 62.893 63.200 -0.020 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.453 127.674 121.223 -0.003 0.000 2.331 169 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 169 L C -1.757 175.087 176.870 -0.044 0.000 1.022 169 L CA -2.361 52.474 54.840 -0.008 0.000 0.812 169 L CB 1.501 43.551 42.059 -0.016 0.000 1.257 169 L HN 0.525 nan 8.230 nan 0.000 0.435 170 P HA 0.089 nan 4.420 nan 0.000 0.271 170 P C -0.579 176.576 177.300 -0.241 0.000 1.218 170 P CA -0.210 62.749 63.100 -0.235 0.000 0.780 170 P CB 0.685 32.049 31.700 -0.560 0.000 0.901 171 T N -2.106 112.296 114.554 -0.252 0.000 3.331 171 T HA 0.492 4.842 4.350 -0.000 0.000 0.381 171 T C -0.263 174.271 174.700 -0.276 0.000 1.656 171 T CA -0.680 61.289 62.100 -0.217 0.000 1.453 171 T CB -0.790 67.991 68.868 -0.146 0.000 1.066 171 T HN 0.625 nan 8.240 nan 0.000 0.655 172 S N 1.315 116.810 115.700 -0.342 0.000 2.912 172 S HA -0.102 4.368 4.470 -0.000 0.000 0.857 172 S C -0.777 173.566 174.600 -0.428 0.000 0.919 172 S CA -0.678 57.335 58.200 -0.311 0.000 1.424 172 S CB -1.029 62.038 63.200 -0.220 0.000 1.019 172 S HN 0.719 nan 8.310 nan 0.000 0.231 173 Y N 2.093 122.360 120.300 -0.055 0.000 2.645 173 Y HA 0.461 5.011 4.550 -0.000 0.000 0.341 173 Y C 1.329 177.191 175.900 -0.064 0.000 1.234 173 Y CA -0.245 57.819 58.100 -0.060 0.000 1.352 173 Y CB 0.423 38.849 38.460 -0.057 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.751 121.245 120.400 0.156 0.000 2.737 174 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 174 D C -1.058 175.268 176.300 0.044 0.000 1.155 174 D CA 0.759 54.801 54.000 0.070 0.000 0.667 174 D CB -1.110 39.720 40.800 0.051 0.000 1.060 174 D HN 0.266 nan 8.370 nan 0.000 0.427 175 L N -0.121 121.124 121.223 0.036 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 0.131 0.000 1.158 175 L CA -0.132 54.718 54.840 0.017 0.000 0.819 175 L CB 0.841 42.853 42.059 -0.079 0.000 1.112 175 L HN 0.033 nan 8.230 nan 0.000 0.458 176 G N 0.567 109.512 108.800 0.241 0.000 2.606 176 G HA2 0.175 4.135 3.960 -0.000 0.000 0.252 176 G HA3 0.175 4.135 3.960 -0.000 0.000 0.252 176 G C -0.877 174.181 174.900 0.264 0.000 1.206 176 G CA -0.339 44.921 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.491 119.875 120.300 0.110 0.000 2.511 177 Y HA 0.232 4.782 4.550 -0.000 0.000 0.332 177 Y C 0.890 176.849 175.900 0.099 0.000 1.177 177 Y CA 0.218 58.382 58.100 0.105 0.000 1.422 177 Y CB 1.044 39.543 38.460 0.066 0.000 1.271 177 Y HN 0.148 nan 8.280 nan 0.000 0.550 178 V N 5.373 125.328 119.914 0.067 0.000 2.427 178 V HA 0.312 4.431 4.120 -0.000 0.000 0.286 178 V C 0.142 176.238 176.094 0.003 0.000 1.034 178 V CA -1.200 61.011 62.300 -0.147 0.000 0.893 178 V CB 1.361 32.863 31.823 -0.536 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.853 124.314 120.500 -0.066 0.000 2.401 179 R HA 0.356 4.696 4.340 -0.000 0.000 0.299 179 R C -0.421 175.746 176.300 -0.223 0.000 1.064 179 R CA -0.310 55.600 56.100 -0.317 0.000 1.000 179 R CB 0.285 30.365 30.300 -0.367 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.143 123.237 121.223 -0.214 0.000 2.479 180 L HA 0.235 4.575 4.340 -0.000 0.000 0.248 180 L C 1.495 178.308 176.870 -0.095 0.000 1.205 180 L CA -0.090 54.682 54.840 -0.114 0.000 0.817 180 L CB 0.544 42.561 42.059 -0.069 0.000 1.162 180 L HN 0.802 nan 8.230 nan 0.000 0.486 181 G N 0.214 108.994 108.800 -0.034 0.000 3.455 181 G HA2 0.041 4.001 3.960 -0.000 0.000 0.250 181 G HA3 0.041 4.001 3.960 -0.000 0.000 0.250 181 G C -0.060 174.819 174.900 -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 1.127 121.487 120.400 -0.067 0.000 2.382 182 D HA 0.135 4.775 4.640 -0.000 0.000 0.245 182 D C -2.474 173.797 176.300 -0.049 0.000 1.120 182 D CA -1.549 52.416 54.000 -0.058 0.000 0.890 182 D CB 1.882 42.632 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.156 nan 4.420 nan 0.000 0.268 183 P C -0.448 176.832 177.300 -0.033 0.000 1.205 183 P CA -0.415 62.668 63.100 -0.028 0.000 0.771 183 P CB 0.836 32.523 31.700 -0.021 0.000 0.858 184 I N 5.033 125.586 120.570 -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 1.245 39.228 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 -1.552 175.741 177.300 -0.011 0.000 1.209 185 P CA -0.157 62.934 63.100 -0.013 0.000 0.763 185 P CB 0.483 32.176 31.700 -0.012 0.000 0.816 186 A N 3.453 126.267 122.820 -0.010 0.000 2.566 186 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 186 A C -0.798 176.782 177.584 -0.007 0.000 1.059 186 A CA -0.692 51.340 52.037 -0.008 0.000 0.691 186 A CB 0.974 19.969 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.537 120.029 120.570 -0.006 0.000 2.646 187 I HA 1.008 5.178 4.170 -0.000 0.000 0.299 187 I C 0.117 176.232 176.117 -0.004 0.000 1.036 187 I CA -0.871 60.426 61.300 -0.005 0.000 1.074 187 I CB 2.441 40.439 38.000 -0.004 0.000 1.258 187 I HN 0.976 nan 8.210 nan 0.000 0.430 188 G N 3.794 112.592 108.800 -0.003 0.000 2.673 188 G HA2 0.415 4.375 3.960 -0.000 0.000 0.292 188 G HA3 0.415 4.375 3.960 -0.000 0.000 0.292 188 G C -0.203 174.696 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.727 nan 8.290 nan 0.000 0.505 189 L N -0.353 120.869 121.223 -0.002 0.000 2.201 189 L HA 0.054 4.394 4.340 -0.000 0.000 0.212 189 L C 0.831 177.700 176.870 -0.001 0.000 1.105 189 L CA 0.703 55.541 54.840 -0.002 0.000 0.775 189 L CB 0.081 42.138 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.297 120.102 120.400 -0.001 0.000 2.295 190 D HA 0.115 4.755 4.640 -0.000 0.000 0.248 190 D C -1.531 174.769 176.300 -0.000 0.000 1.154 190 D CA -2.008 51.991 54.000 -0.001 0.000 0.857 190 D CB 1.755 42.554 40.800 -0.001 0.000 1.117 190 D HN -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.216 191 P C 0.481 177.783 177.300 0.002 0.000 1.154 191 P CA 1.344 64.445 63.100 0.001 0.000 0.865 191 P CB 0.265 31.966 31.700 0.002 0.000 0.789 192 K N -1.412 118.990 120.400 0.002 0.000 2.504 192 K HA 0.127 4.447 4.320 -0.000 0.000 0.199 192 K C 0.754 177.355 176.600 0.003 0.000 1.028 192 K CA -0.248 56.041 56.287 0.004 0.000 1.164 192 K CB -0.291 32.212 32.500 0.005 0.000 0.877 192 K HN 0.194 nan 8.250 nan 0.000 0.508 193 M N 1.956 121.556 119.600 0.001 0.000 2.219 193 M HA 0.085 4.565 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 0.346 55.646 55.300 -0.000 0.000 1.115 193 M CB 0.696 33.295 32.600 -0.001 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.648 124.561 119.914 -0.001 0.000 2.623 194 V HA 0.728 4.848 4.120 -0.000 0.000 0.304 194 V C -0.696 175.395 176.094 -0.005 0.000 1.054 194 V CA -0.837 61.463 62.300 -0.001 0.000 0.882 194 V CB 1.699 33.523 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.427 126.242 122.820 -0.009 0.000 2.357 195 A HA 0.914 5.234 4.320 -0.000 0.000 0.295 195 A C -0.125 177.447 177.584 -0.020 0.000 1.121 195 A CA -0.282 51.746 52.037 -0.014 0.000 0.742 195 A CB 1.503 20.494 19.000 -0.014 0.000 1.181 195 A HN 0.947 nan 8.150 nan 0.000 0.454 196 T N -1.916 112.623 114.554 -0.025 0.000 2.907 196 T HA 0.608 4.958 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 -0.792 61.287 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 1.039 nan 8.240 nan 0.000 0.522 197 C N 2.313 121.573 119.300 -0.067 0.000 2.293 197 C HA 0.645 5.105 4.460 -0.000 0.000 0.323 197 C C -0.846 174.084 174.990 -0.101 0.000 1.240 197 C CA -0.475 58.492 59.018 -0.085 0.000 1.497 197 C CB -1.044 26.638 27.740 -0.095 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.919 123.260 120.400 -0.097 0.000 2.277 198 D HA 0.308 4.947 4.640 -0.000 0.000 0.250 198 D C -0.056 176.196 176.300 -0.080 0.000 1.032 198 D CA 0.001 53.953 54.000 -0.080 0.000 0.947 198 D CB 1.568 42.326 40.800 -0.070 0.000 1.159 198 D HN 0.550 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 1.064 175.660 174.600 -0.006 0.000 1.244 199 S CA -0.109 58.047 58.200 -0.073 0.000 1.098 199 S CB 0.140 63.277 63.200 -0.106 0.000 0.858 199 S HN 0.524 nan 8.310 nan 0.000 0.502 200 S N 1.244 116.943 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 200 S C -0.369 174.276 174.600 0.075 0.000 1.082 200 S CA -0.534 57.695 58.200 0.049 0.000 0.836 200 S CB -0.451 62.746 63.200 -0.005 0.000 0.834 200 S HN 0.572 nan 8.310 nan 0.000 0.457 201 D N 3.459 123.896 120.400 0.062 0.000 2.571 201 D HA 0.240 4.880 4.640 -0.000 0.000 0.231 201 D C 0.112 176.484 176.300 0.119 0.000 1.133 201 D CA 0.626 54.681 54.000 0.093 0.000 0.862 201 D CB -0.058 40.812 40.800 0.116 0.000 1.179 201 D HN 0.177 nan 8.370 nan 0.000 0.474 202 R N -0.419 120.144 120.500 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 -0.034 56.122 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 0.087 nan 4.420 nan 0.000 0.272 203 P C -0.276 177.010 177.300 -0.022 0.000 1.230 203 P CA -0.122 63.000 63.100 0.036 0.000 0.788 203 P CB 0.739 32.469 31.700 0.049 0.000 0.949 204 R N 1.183 121.645 120.500 -0.063 0.000 2.407 204 R HA 0.522 4.862 4.340 -0.000 0.000 0.303 204 R C -1.371 174.804 176.300 -0.209 0.000 0.981 204 R CA -0.736 55.268 56.100 -0.160 0.000 0.905 204 R CB 0.900 31.088 30.300 -0.188 0.000 1.099 204 R HN 0.259 nan 8.270 nan 0.000 0.459 205 V N 5.449 125.203 119.914 -0.266 0.000 2.487 205 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 205 V C -1.210 174.708 176.094 -0.294 0.000 1.028 205 V CA -0.703 61.477 62.300 -0.199 0.000 0.860 205 V CB 1.472 33.235 31.823 -0.099 0.000 0.991 205 V HN 0.689 nan 8.190 nan 0.000 0.427 206 Y N 1.812 122.092 120.300 -0.035 0.000 2.342 206 Y HA 0.601 5.151 4.550 -0.000 0.000 0.334 206 Y C 0.755 176.617 175.900 -0.064 0.000 1.067 206 Y CA -0.520 57.556 58.100 -0.040 0.000 1.128 206 Y CB 2.042 40.485 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.164 119.763 114.554 0.075 0.000 2.786 207 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 207 T C -0.577 174.076 174.700 -0.077 0.000 0.992 207 T CA -0.520 61.568 62.100 -0.020 0.000 0.954 207 T CB 0.319 69.166 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.880 123.343 120.570 -0.178 0.000 2.411 208 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 208 I C 0.244 176.150 176.117 -0.352 0.000 1.012 208 I CA -0.639 60.462 61.300 -0.332 0.000 1.119 208 I CB 1.725 39.368 38.000 -0.595 0.000 1.261 208 I HN 0.476 nan 8.210 nan 0.000 0.448 209 T N 5.777 120.173 114.554 -0.263 0.000 2.863 209 T HA 0.210 4.560 4.350 -0.000 0.000 0.299 209 T C 1.205 175.752 174.700 -0.254 0.000 0.973 209 T CA -0.237 61.737 62.100 -0.211 0.000 0.994 209 T CB 1.081 69.875 68.868 -0.123 0.000 0.961 209 T HN 0.753 nan 8.240 nan 0.000 0.552 210 A N 2.914 125.550 122.820 -0.308 0.000 2.014 210 A HA 0.563 4.883 4.320 -0.000 0.000 0.218 210 A C 1.212 178.762 177.584 -0.057 0.000 1.163 210 A CA 0.585 52.470 52.037 -0.253 0.000 0.652 210 A CB 0.108 19.031 19.000 -0.127 0.000 0.808 210 A HN 0.890 nan 8.150 nan 0.000 0.449 211 A N -0.857 121.938 122.820 -0.042 0.000 2.540 211 A HA 0.542 4.862 4.320 -0.000 0.000 0.297 211 A C -2.002 175.599 177.584 0.029 0.000 1.056 211 A CA -0.353 51.711 52.037 0.044 0.000 0.700 211 A CB 1.039 20.108 19.000 0.116 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.167 122.611 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 -0.000 0.000 0.259 212 D C -0.783 175.568 176.300 0.087 0.000 1.235 212 D CA 0.255 54.285 54.000 0.051 0.000 0.924 212 D CB 0.463 41.281 40.800 0.029 0.000 1.143 212 D HN 0.472 nan 8.370 nan 0.000 0.529 213 D N 2.077 122.528 120.400 0.084 0.000 2.686 213 D HA -0.297 4.343 4.640 -0.000 0.000 0.235 213 D C -0.498 175.883 176.300 0.136 0.000 1.160 213 D CA 0.579 54.635 54.000 0.094 0.000 0.645 213 D CB -1.795 39.037 40.800 0.055 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.313 121.672 120.300 0.099 0.000 2.537 214 Y HA 0.139 4.689 4.550 -0.000 0.000 0.339 214 Y C 0.501 176.491 175.900 0.150 0.000 1.066 214 Y CA -0.105 58.070 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 7.362 126.772 119.800 -0.651 0.000 2.288 215 Q HA 0.160 4.500 4.340 -0.000 0.000 0.258 215 Q C -1.199 174.198 176.000 -1.006 0.000 0.957 215 Q CA -0.259 55.196 55.803 -0.580 0.000 0.919 215 Q CB 1.488 30.017 28.738 -0.347 0.000 1.185 215 Q HN 0.753 nan 8.270 nan 0.000 0.408 216 F N 1.191 120.599 119.950 -0.904 0.000 2.469 216 F HA 0.513 5.040 4.527 -0.000 0.000 0.332 216 F C -0.595 174.843 175.800 -0.603 0.000 1.103 216 F CA -0.520 56.929 58.000 -0.920 0.000 0.979 216 F CB 1.791 39.752 39.000 -1.733 0.000 1.137 216 F HN 0.374 nan 8.300 nan 0.000 0.463 217 S N 4.042 118.982 115.700 -1.267 0.000 2.603 217 S HA 0.671 5.141 4.470 -0.000 0.000 0.274 217 S C -1.465 172.592 174.600 -0.906 0.000 1.168 217 S CA -0.386 57.295 58.200 -0.865 0.000 0.963 217 S CB 1.232 64.163 63.200 -0.448 0.000 1.078 217 S HN 0.952 nan 8.310 nan 0.000 0.477 218 S N 2.783 118.100 115.700 -0.639 0.000 2.565 218 S HA 0.401 4.871 4.470 -0.000 0.000 0.274 218 S C -1.830 172.697 174.600 -0.122 0.000 1.144 218 S CA -0.616 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.437 64.407 63.200 -0.384 0.000 1.103 218 S HN 0.748 nan 8.310 nan 0.000 0.455 219 Q N 1.591 121.360 119.800 -0.052 0.000 2.354 219 Q HA 0.206 4.546 4.340 -0.000 0.000 0.244 219 Q C -0.730 175.328 176.000 0.097 0.000 0.969 219 Q CA -0.217 55.603 55.803 0.028 0.000 0.885 219 Q CB 0.511 29.258 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.813 122.130 120.300 0.029 0.000 2.788 220 Y HA -0.077 4.473 4.550 -0.000 0.000 0.341 220 Y C -0.488 175.439 175.900 0.045 0.000 1.258 220 Y CA 0.638 58.768 58.100 0.049 0.000 1.503 220 Y CB 0.465 38.950 38.460 0.041 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.924 126.220 119.800 -0.840 0.000 2.268 221 Q HA 0.420 4.760 4.340 -0.000 0.000 0.266 221 Q C -2.966 172.461 176.000 -0.955 0.000 1.006 221 Q CA -2.542 52.788 55.803 -0.788 0.000 0.824 221 Q CB 2.057 30.632 28.738 -0.272 0.000 1.306 221 Q HN 0.414 nan 8.270 nan 0.000 0.424 222 P HA 0.152 nan 4.420 nan 0.000 0.263 222 P C 0.513 177.730 177.300 -0.137 0.000 1.195 222 P CA 1.333 64.276 63.100 -0.263 0.000 0.762 222 P CB 0.756 32.389 31.700 -0.111 0.000 0.799 223 G N 2.163 110.937 108.800 -0.044 0.000 2.268 223 G HA2 0.007 3.967 3.960 -0.000 0.000 0.240 223 G HA3 0.007 3.967 3.960 -0.000 0.000 0.240 223 G C 0.464 175.359 174.900 -0.007 0.000 1.010 223 G CA 0.235 45.325 45.100 -0.018 0.000 0.618 223 G HN 1.067 nan 8.290 nan 0.000 0.516 224 G N -2.286 106.495 108.800 -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 0.083 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 0.842 120.818 119.914 0.103 0.000 2.407 225 V HA 0.650 4.770 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 -0.225 62.163 62.300 0.146 0.000 0.842 225 V CB 1.575 33.553 31.823 0.258 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.872 121.494 114.554 0.113 0.000 2.799 226 T HA 0.728 5.078 4.350 -0.000 0.000 0.286 226 T C -0.182 174.594 174.700 0.126 0.000 0.973 226 T CA -0.085 62.074 62.100 0.098 0.000 1.035 226 T CB 0.887 69.794 68.868 0.064 0.000 0.932 226 T HN 0.649 nan 8.240 nan 0.000 0.469 227 I N -0.689 119.963 120.570 0.135 0.000 2.892 227 I HA 0.665 4.835 4.170 -0.000 0.000 0.306 227 I C -0.452 175.725 176.117 0.101 0.000 1.078 227 I CA -0.937 60.454 61.300 0.151 0.000 1.032 227 I CB 2.341 40.492 38.000 0.252 0.000 1.229 227 I HN 0.300 nan 8.210 nan 0.000 0.435 228 T N 4.938 119.530 114.554 0.063 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 1.062 69.913 68.868 -0.029 0.000 0.984 228 T HN 0.593 nan 8.240 nan 0.000 0.486 229 L N 4.516 125.753 121.223 0.024 0.000 2.046 229 L HA 0.238 4.578 4.340 -0.000 0.000 0.208 229 L C 0.215 177.156 176.870 0.117 0.000 1.077 229 L CA 1.762 56.645 54.840 0.072 0.000 0.747 229 L CB -0.279 41.894 42.059 0.189 0.000 0.896 229 L HN 0.711 nan 8.230 nan 0.000 0.432 230 F N -3.293 116.652 119.950 -0.008 0.000 2.713 230 F HA 0.650 5.177 4.527 -0.000 0.000 0.311 230 F C -0.723 175.071 175.800 -0.010 0.000 1.141 230 F CA -0.907 57.076 58.000 -0.027 0.000 0.939 230 F CB 0.738 39.711 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.163 116.984 115.700 0.203 0.000 2.575 231 S HA 0.895 5.364 4.470 -0.000 0.000 0.278 231 S C -1.525 173.199 174.600 0.207 0.000 1.139 231 S CA 0.089 58.347 58.200 0.097 0.000 0.954 231 S CB 1.264 64.465 63.200 0.002 0.000 1.054 231 S HN 1.681 nan 8.310 nan 0.000 0.483 232 A N 3.865 126.790 122.820 0.174 0.000 2.488 232 A HA 0.705 5.024 4.320 -0.000 0.000 0.298 232 A C -1.187 176.384 177.584 -0.022 0.000 1.044 232 A CA -0.887 51.198 52.037 0.080 0.000 0.693 232 A CB 1.061 20.108 19.000 0.078 0.000 1.272 232 A HN 0.715 nan 8.150 nan 0.000 0.402 233 N N 1.464 120.134 118.700 -0.051 0.000 2.442 233 N HA 0.526 5.265 4.740 -0.000 0.000 0.265 233 N C -0.213 175.165 175.510 -0.220 0.000 1.138 233 N CA 0.285 53.288 53.050 -0.077 0.000 0.956 233 N CB 0.501 38.977 38.487 -0.018 0.000 1.067 233 N HN 0.744 nan 8.380 nan 0.000 0.474 234 I N -2.159 118.257 120.570 -0.256 0.000 3.264 234 I HA 0.614 4.784 4.170 -0.000 0.000 0.315 234 I C -1.059 175.005 176.117 -0.088 0.000 1.154 234 I CA -0.965 60.038 61.300 -0.495 0.000 0.962 234 I CB 2.670 40.207 38.000 -0.771 0.000 1.265 234 I HN 0.027 nan 8.210 nan 0.000 0.463 235 D N 2.051 122.508 120.400 0.095 0.000 2.646 235 D HA 0.722 5.362 4.640 -0.000 0.000 0.245 235 D C -1.172 175.212 176.300 0.140 0.000 1.099 235 D CA -0.229 53.858 54.000 0.144 0.000 0.849 235 D CB 2.401 43.318 40.800 0.194 0.000 1.448 235 D HN 0.905 nan 8.370 nan 0.000 0.489 236 A N 1.988 124.856 122.820 0.080 0.000 2.517 236 A HA 0.526 4.845 4.320 -0.000 0.000 0.297 236 A C -0.209 177.378 177.584 0.005 0.000 1.050 236 A CA -0.515 51.555 52.037 0.055 0.000 0.694 236 A CB 0.910 19.942 19.000 0.053 0.000 1.277 236 A HN 0.551 nan 8.150 nan 0.000 0.400 237 I N 0.527 121.085 120.570 -0.021 0.000 4.124 237 I HA 0.119 4.289 4.170 -0.000 0.000 0.311 237 I C 1.263 177.369 176.117 -0.019 0.000 1.259 237 I CA 1.072 62.320 61.300 -0.087 0.000 1.315 237 I CB 0.665 38.516 38.000 -0.249 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.457 113.125 114.554 0.046 0.000 2.762 238 T HA 0.409 4.759 4.350 -0.000 0.000 0.272 238 T C 0.320 175.071 174.700 0.085 0.000 0.982 238 T CA -0.491 61.655 62.100 0.076 0.000 1.013 238 T CB 1.159 70.102 68.868 0.125 0.000 1.309 238 T HN 0.125 nan 8.240 nan 0.000 0.572 239 S N 0.623 116.391 115.700 0.113 0.000 2.558 239 S HA 0.369 4.839 4.470 -0.000 0.000 0.291 239 S C 0.041 174.753 174.600 0.186 0.000 1.306 239 S CA -0.428 57.867 58.200 0.158 0.000 1.056 239 S CB -0.983 62.330 63.200 0.187 0.000 0.836 239 S HN 1.189 nan 8.310 nan 0.000 0.504 240 L N -0.514 120.781 121.223 0.120 0.000 2.491 240 L HA 0.949 5.289 4.340 -0.000 0.000 0.254 240 L C -0.651 176.226 176.870 0.012 0.000 1.048 240 L CA -1.007 53.803 54.840 -0.051 0.000 0.855 240 L CB 1.864 43.909 42.059 -0.024 0.000 1.466 240 L HN 0.854 nan 8.230 nan 0.000 0.409 241 S N -0.199 115.465 115.700 -0.061 0.000 2.569 241 S HA 0.889 5.359 4.470 -0.000 0.000 0.280 241 S C -1.072 173.554 174.600 0.043 0.000 1.111 241 S CA -0.688 57.541 58.200 0.048 0.000 0.887 241 S CB 1.984 65.258 63.200 0.124 0.000 1.095 241 S HN 0.662 nan 8.310 nan 0.000 0.476 242 V N 1.469 121.437 119.914 0.089 0.000 2.487 242 V HA 0.843 4.963 4.120 -0.000 0.000 0.298 242 V C 0.690 176.868 176.094 0.140 0.000 1.028 242 V CA -0.001 62.364 62.300 0.108 0.000 0.860 242 V CB 1.202 33.123 31.823 0.163 0.000 0.991 242 V HN 1.249 nan 8.190 nan 0.000 0.427 243 G N 1.782 110.638 108.800 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 -0.146 174.788 174.900 0.058 0.000 1.308 243 G CA -0.222 44.942 45.100 0.107 0.000 0.964 243 G HN 1.490 nan 8.290 nan 0.000 0.484 244 G N -1.139 107.712 108.800 0.085 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 -0.984 174.003 174.900 0.144 0.000 1.267 244 G CA 0.062 45.182 45.100 0.033 0.000 1.008 244 G HN 0.936 nan 8.290 nan 0.000 0.497 245 E N -1.161 119.091 120.200 0.086 0.000 2.354 245 E HA 0.551 4.900 4.350 -0.000 0.000 0.283 245 E C -0.964 175.694 176.600 0.095 0.000 0.938 245 E CA -0.766 55.745 56.400 0.185 0.000 0.777 245 E CB 1.576 31.342 29.700 0.111 0.000 1.222 245 E HN 0.603 nan 8.360 nan 0.000 0.423 246 L N 2.947 124.279 121.223 0.182 0.000 2.325 246 L HA 0.636 4.976 4.340 -0.000 0.000 0.278 246 L C -0.669 176.145 176.870 -0.094 0.000 1.023 246 L CA -1.115 53.708 54.840 -0.029 0.000 0.811 246 L CB 1.794 43.832 42.059 -0.036 0.000 1.249 246 L HN 0.298 nan 8.230 nan 0.000 0.431 247 V N 2.579 122.335 119.914 -0.264 0.000 2.448 247 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 247 V C -0.694 175.200 176.094 -0.333 0.000 1.025 247 V CA -0.441 61.767 62.300 -0.154 0.000 0.859 247 V CB 1.625 33.412 31.823 -0.060 0.000 0.988 247 V HN 0.371 nan 8.190 nan 0.000 0.431 248 F N 4.330 124.268 119.950 -0.022 0.000 2.469 248 F HA 0.716 5.243 4.527 -0.000 0.000 0.332 248 F C 0.557 176.376 175.800 0.032 0.000 1.103 248 F CA -0.686 57.299 58.000 -0.025 0.000 0.979 248 F CB 1.691 40.577 39.000 -0.189 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.141 121.798 120.500 0.263 0.000 2.803 249 R HA 0.759 5.099 4.340 -0.000 0.000 0.276 249 R C -0.832 175.607 176.300 0.232 0.000 0.978 249 R CA -0.808 55.405 56.100 0.189 0.000 0.939 249 R CB 2.156 32.534 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.036 113.607 114.554 0.148 0.000 2.885 250 T HA 0.229 4.579 4.350 -0.000 0.000 0.322 250 T C -0.003 174.713 174.700 0.027 0.000 1.387 250 T CA -0.403 61.776 62.100 0.132 0.000 1.041 250 T CB 1.429 70.403 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.939 116.643 115.700 0.008 0.000 2.511 251 S HA 0.243 4.713 4.470 -0.000 0.000 0.214 251 S C 0.407 174.924 174.600 -0.138 0.000 0.997 251 S CA -0.123 58.042 58.200 -0.059 0.000 0.908 251 S CB 0.363 63.554 63.200 -0.015 0.000 0.803 251 S HN 0.592 nan 8.310 nan 0.000 0.504 252 V N 3.801 123.667 119.914 -0.080 0.000 2.439 252 V HA 0.296 4.416 4.120 -0.000 0.000 0.282 252 V C 0.031 176.059 176.094 -0.109 0.000 1.039 252 V CA -0.825 61.443 62.300 -0.053 0.000 0.913 252 V CB 0.640 32.493 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.826 121.921 119.070 0.042 0.000 2.562 253 H HA 0.347 4.903 4.556 -0.000 0.000 0.352 253 H C 1.264 176.606 175.328 0.024 0.000 1.125 253 H CA 0.823 56.889 56.048 0.030 0.000 1.379 253 H CB 1.391 31.163 29.762 0.016 0.000 1.464 253 H HN 1.014 nan 8.280 nan 0.000 0.563 254 G N 2.641 111.525 108.800 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 0.078 175.013 174.900 0.058 0.000 1.024 254 G CA -0.156 44.991 45.100 0.078 0.000 0.755 254 G HN 0.461 nan 8.290 nan 0.000 0.507 255 L N -0.032 121.228 121.223 0.062 0.000 2.326 255 L HA 0.577 4.917 4.340 -0.000 0.000 0.278 255 L C 0.466 177.342 176.870 0.012 0.000 1.092 255 L CA -0.816 54.064 54.840 0.067 0.000 0.810 255 L CB 1.572 43.700 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.966 124.882 119.914 0.005 0.000 2.487 256 V HA 0.429 4.549 4.120 -0.000 0.000 0.298 256 V C 0.015 176.051 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.787 62.300 -0.047 0.000 0.860 256 V CB 2.127 33.939 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.957 125.061 121.223 -0.197 0.000 2.317 257 L HA 0.808 5.148 4.340 -0.000 0.000 0.281 257 L C 0.586 177.320 176.870 -0.226 0.000 1.024 257 L CA -0.321 54.343 54.840 -0.295 0.000 0.810 257 L CB 1.922 43.625 42.059 -0.594 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.748 110.439 108.800 -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 -1.389 173.426 174.900 -0.141 0.000 1.214 258 G CA -0.389 44.628 45.100 -0.138 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.147 123.886 122.820 -0.136 0.000 2.488 259 A HA 0.868 5.188 4.320 -0.000 0.000 0.298 259 A C -0.456 177.052 177.584 -0.127 0.000 1.044 259 A CA -0.572 51.402 52.037 -0.104 0.000 0.693 259 A CB 1.862 20.802 19.000 -0.099 0.000 1.272 259 A HN 0.788 nan 8.150 nan 0.000 0.402 260 T N 2.417 116.904 114.554 -0.112 0.000 2.886 260 T HA 0.554 4.904 4.350 -0.000 0.000 0.292 260 T C -0.586 173.950 174.700 -0.272 0.000 1.012 260 T CA -0.235 61.713 62.100 -0.253 0.000 0.982 260 T CB 1.128 69.766 68.868 -0.382 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.000 123.395 120.570 -0.292 0.000 2.359 261 I HA 0.404 4.574 4.170 -0.000 0.000 0.294 261 I C -1.073 174.836 176.117 -0.346 0.000 0.987 261 I CA -0.794 60.398 61.300 -0.180 0.000 1.225 261 I CB 1.090 39.102 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.241 126.518 120.300 -0.039 0.000 2.364 262 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 262 Y C -0.294 175.586 175.900 -0.034 0.000 0.975 262 Y CA -0.727 57.351 58.100 -0.037 0.000 1.089 262 Y CB 1.543 39.972 38.460 -0.050 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.265 126.557 121.223 0.116 0.000 2.287 263 L HA 0.463 4.803 4.340 -0.000 0.000 0.287 263 L C -0.815 176.092 176.870 0.061 0.000 1.022 263 L CA -0.588 54.292 54.840 0.066 0.000 0.814 263 L CB 0.720 42.802 42.059 0.039 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.388 122.982 120.570 0.039 0.000 2.392 264 I HA 0.407 4.577 4.170 -0.000 0.000 0.295 264 I C 0.898 177.027 176.117 0.019 0.000 0.985 264 I CA -0.220 61.092 61.300 0.020 0.000 1.221 264 I CB 1.426 39.421 38.000 -0.008 0.000 1.366 264 I HN 0.555 nan 8.210 nan 0.000 0.467 265 G N 3.278 112.090 108.800 0.020 0.000 2.562 265 G HA2 0.184 4.144 3.960 -0.000 0.000 0.275 265 G HA3 0.184 4.144 3.960 -0.000 0.000 0.275 265 G C 0.446 175.393 174.900 0.079 0.000 1.196 265 G CA -0.344 44.787 45.100 0.051 0.000 0.908 265 G HN 0.591 nan 8.290 nan 0.000 0.524 266 F N 0.679 120.610 119.950 -0.030 0.000 2.192 266 F HA -0.165 4.362 4.527 -0.000 0.000 0.301 266 F C 2.164 177.877 175.800 -0.144 0.000 1.079 266 F CA 2.042 59.952 58.000 -0.151 0.000 1.303 266 F CB 0.239 39.026 39.000 -0.355 0.000 1.024 266 F HN 0.436 nan 8.300 nan 0.000 0.494 267 D N -1.039 119.351 120.400 -0.017 0.000 2.325 267 D HA 0.154 4.794 4.640 -0.000 0.000 0.225 267 D C 1.780 178.052 176.300 -0.046 0.000 1.096 267 D CA 0.680 54.666 54.000 -0.023 0.000 0.844 267 D CB -0.584 40.367 40.800 0.253 0.000 0.925 267 D HN 0.400 nan 8.370 nan 0.000 0.513 268 G N -0.620 108.131 108.800 -0.082 0.000 2.179 268 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 268 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 268 G C 0.468 175.346 174.900 -0.037 0.000 0.977 268 G CA 0.485 45.541 45.100 -0.072 0.000 0.641 268 G HN 0.511 nan 8.290 nan 0.000 0.533 269 T N 1.691 116.245 114.554 -0.000 0.000 2.910 269 T HA 0.507 4.857 4.350 -0.000 0.000 0.293 269 T C 0.705 175.411 174.700 0.010 0.000 1.015 269 T CA 0.616 62.724 62.100 0.013 0.000 1.094 269 T CB 0.848 69.746 68.868 0.051 0.000 0.968 269 T HN 0.196 nan 8.240 nan 0.000 0.521 270 T N 3.621 118.184 114.554 0.015 0.000 2.769 270 T HA 0.147 4.497 4.350 -0.000 0.000 0.293 270 T C 1.469 176.196 174.700 0.045 0.000 0.931 270 T CA -0.470 61.659 62.100 0.047 0.000 1.139 270 T CB 0.688 69.609 68.868 0.088 0.000 0.881 270 T HN 0.363 nan 8.240 nan 0.000 0.532 271 V N 4.115 124.050 119.914 0.036 0.000 2.426 271 V HA 0.266 4.386 4.120 -0.000 0.000 0.242 271 V C 0.714 176.823 176.094 0.024 0.000 1.036 271 V CA 0.920 63.225 62.300 0.010 0.000 1.044 271 V CB -0.033 31.780 31.823 -0.017 0.000 0.688 271 V HN 0.723 nan 8.190 nan 0.000 0.462 272 I N -0.371 120.223 120.570 0.040 0.000 2.619 272 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 272 I C -0.580 175.553 176.117 0.027 0.000 1.100 272 I CA -0.061 61.255 61.300 0.026 0.000 1.043 272 I CB 2.438 40.446 38.000 0.013 0.000 1.239 272 I HN 0.048 nan 8.210 nan 0.000 0.420 273 T N 5.700 120.244 114.554 -0.017 0.000 2.840 273 T HA 0.576 4.926 4.350 -0.000 0.000 0.287 273 T C -1.000 173.599 174.700 -0.169 0.000 0.991 273 T CA -0.667 61.350 62.100 -0.138 0.000 0.964 273 T CB 0.690 69.520 68.868 -0.063 0.000 0.954 273 T HN 0.418 nan 8.240 nan 0.000 0.438 274 R N 3.327 123.684 120.500 -0.237 0.000 2.483 274 R HA 0.597 4.937 4.340 -0.000 0.000 0.303 274 R C -0.281 175.894 176.300 -0.208 0.000 0.987 274 R CA -0.687 55.312 56.100 -0.168 0.000 0.881 274 R CB 1.537 31.778 30.300 -0.098 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.787 125.502 122.820 -0.176 0.000 2.491 275 A HA 0.188 4.508 4.320 -0.000 0.000 0.261 275 A C 1.086 178.564 177.584 -0.176 0.000 1.101 275 A CA -0.184 51.751 52.037 -0.171 0.000 0.772 275 A CB 0.367 19.290 19.000 -0.129 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.993 121.773 119.914 -0.223 0.000 2.949 276 V HA 0.351 4.471 4.120 -0.000 0.000 0.245 276 V C 1.109 177.017 176.094 -0.310 0.000 1.086 276 V CA 1.700 63.804 62.300 -0.325 0.000 1.097 276 V CB -0.138 31.364 31.823 -0.535 0.000 0.762 276 V HN 1.189 nan 8.190 nan 0.000 0.470 277 A N -0.270 122.404 122.820 -0.243 0.000 2.485 277 A HA 0.819 5.139 4.320 -0.000 0.000 0.285 277 A C -0.714 176.774 177.584 -0.160 0.000 1.045 277 A CA 0.209 52.127 52.037 -0.197 0.000 0.792 277 A CB 1.057 19.927 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 0.789 5.109 4.320 -0.000 0.000 0.331 278 A C 0.341 177.871 177.584 -0.091 0.000 1.137 278 A CA -0.121 51.855 52.037 -0.101 0.000 0.807 278 A CB 0.318 19.270 19.000 -0.079 0.000 1.250 278 A HN 2.297 nan 8.150 nan 0.000 0.468 279 N N 1.007 119.659 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.515 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 1.036 54.046 53.050 -0.066 0.000 0.687 279 N CB -0.374 38.087 38.487 -0.043 0.000 0.992 279 N HN 0.775 nan 8.380 nan 0.000 0.524 280 N N 2.520 121.161 118.700 -0.099 0.000 2.621 280 N HA 0.309 5.049 4.740 -0.000 0.000 0.271 280 N C -0.378 175.064 175.510 -0.114 0.000 1.181 280 N CA 0.145 53.127 53.050 -0.113 0.000 0.805 280 N CB 1.014 39.406 38.487 -0.159 0.000 1.351 280 N HN 0.580 nan 8.380 nan 0.000 0.539 281 G N 2.361 111.118 108.800 -0.070 0.000 2.398 281 G HA2 0.367 4.327 3.960 -0.000 0.000 0.246 281 G HA3 0.367 4.327 3.960 -0.000 0.000 0.246 281 G C -0.022 174.846 174.900 -0.054 0.000 1.289 281 G CA -0.120 44.950 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.908 123.104 121.223 -0.045 0.000 2.295 282 L HA 0.348 4.688 4.340 -0.000 0.000 0.285 282 L C 0.433 177.307 176.870 0.008 0.000 1.035 282 L CA -0.699 54.123 54.840 -0.029 0.000 0.806 282 L CB 1.729 43.765 42.059 -0.039 0.000 1.214 282 L HN 0.392 nan 8.230 nan 0.000 0.426 283 T N 0.688 115.252 114.554 0.018 0.000 2.882 283 T HA 0.221 4.571 4.350 -0.000 0.000 0.287 283 T C 0.326 175.033 174.700 0.012 0.000 0.992 283 T CA -0.459 61.658 62.100 0.030 0.000 1.076 283 T CB 1.267 70.157 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.268 116.811 114.554 -0.018 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 0.690 62.745 62.100 -0.076 0.000 1.127 284 T CB 0.447 69.170 68.868 -0.243 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.831 111.632 108.800 0.001 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 0.200 175.118 174.900 0.030 0.000 1.012 285 G CA 0.384 45.496 45.100 0.021 0.000 0.749 285 G HN 0.914 nan 8.290 nan 0.000 0.512 286 T N -0.226 114.350 114.554 0.036 0.000 2.883 286 T HA 0.488 4.838 4.350 -0.000 0.000 0.301 286 T C -0.888 173.842 174.700 0.050 0.000 1.158 286 T CA -0.846 61.277 62.100 0.039 0.000 1.007 286 T CB 1.874 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 2.215 122.643 120.400 0.046 0.000 2.425 287 D HA 0.173 4.813 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 0.312 54.345 54.000 0.055 0.000 0.879 287 D CB 0.348 41.172 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.692 120.450 118.700 0.095 0.000 2.476 288 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 288 N C -0.599 174.995 175.510 0.140 0.000 0.970 288 N CA -0.479 52.630 53.050 0.099 0.000 0.938 288 N CB 1.285 39.828 38.487 0.093 0.000 1.144 288 N HN 0.162 nan 8.380 nan 0.000 0.500 289 L N 1.733 123.010 121.223 0.090 0.000 2.326 289 L HA 0.459 4.799 4.340 -0.000 0.000 0.278 289 L C 0.104 177.037 176.870 0.104 0.000 1.092 289 L CA -0.167 54.730 54.840 0.095 0.000 0.810 289 L CB 0.900 42.994 42.059 0.058 0.000 1.153 289 L HN 0.466 nan 8.230 nan 0.000 0.439 290 M N 5.620 125.311 119.600 0.152 0.000 1.987 290 M HA 0.397 4.877 4.480 -0.000 0.000 0.298 290 M C -2.616 173.757 176.300 0.121 0.000 0.892 290 M CA -1.610 53.756 55.300 0.110 0.000 0.885 290 M CB 1.593 34.331 32.600 0.230 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.321 nan 4.420 nan 0.000 0.276 291 P C -1.354 175.953 177.300 0.012 0.000 1.244 291 P CA -0.036 63.129 63.100 0.108 0.000 0.801 291 P CB 0.502 32.230 31.700 0.046 0.000 1.006 292 F N 1.319 121.283 119.950 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 -0.142 57.872 58.000 0.024 0.000 0.989 292 F CB 0.973 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 5.348 124.109 118.700 0.101 0.000 2.679 293 N HA 0.248 4.988 4.740 -0.000 0.000 0.302 293 N C -1.123 174.424 175.510 0.062 0.000 1.941 293 N CA -0.053 53.042 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 0.914 122.195 121.223 0.096 0.000 2.289 294 L HA 0.544 4.884 4.340 -0.000 0.000 0.285 294 L C -0.039 176.879 176.870 0.080 0.000 1.049 294 L CA -0.790 54.095 54.840 0.075 0.000 0.804 294 L CB 1.748 43.863 42.059 0.093 0.000 1.195 294 L HN -0.204 nan 8.230 nan 0.000 0.428 295 V N 4.812 124.764 119.914 0.065 0.000 2.444 295 V HA 0.393 4.513 4.120 -0.000 0.000 0.294 295 V C -0.259 175.874 176.094 0.064 0.000 1.022 295 V CA -0.376 61.972 62.300 0.081 0.000 0.850 295 V CB 2.121 33.990 31.823 0.076 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.535 129.150 120.570 0.076 0.000 2.328 296 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 296 I C -2.124 174.033 176.117 0.067 0.000 1.012 296 I CA -1.870 59.464 61.300 0.057 0.000 1.195 296 I CB 1.945 39.973 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.140 nan 4.420 nan 0.000 0.274 297 P C 0.644 177.969 177.300 0.042 0.000 1.231 297 P CA -0.231 62.896 63.100 0.045 0.000 0.790 297 P CB 0.808 32.525 31.700 0.028 0.000 0.951 298 T N 1.049 115.630 114.554 0.044 0.000 2.653 298 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 298 T C 1.609 176.324 174.700 0.025 0.000 1.035 298 T CA 2.117 64.240 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 1.366 120.079 118.700 0.023 0.000 2.443 299 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 299 N C 1.395 176.915 175.510 0.017 0.000 1.037 299 N CA 1.002 54.064 53.050 0.020 0.000 0.896 299 N CB -0.213 38.285 38.487 0.019 0.000 0.959 299 N HN 0.510 nan 8.380 nan 0.000 0.442 300 E N 0.196 120.406 120.200 0.016 0.000 2.371 300 E HA 0.153 4.503 4.350 -0.000 0.000 0.194 300 E C 0.174 176.776 176.600 0.003 0.000 1.012 300 E CA 0.095 56.502 56.400 0.011 0.000 0.860 300 E CB 0.207 29.915 29.700 0.013 0.000 0.811 300 E HN 0.440 nan 8.360 nan 0.000 0.502 301 I N 2.360 122.929 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 -0.000 0.000 0.297 301 I C 1.409 177.499 176.117 -0.045 0.000 1.143 301 I CA -0.060 61.228 61.300 -0.021 0.000 1.271 301 I CB 0.715 38.707 38.000 -0.013 0.000 1.461 301 I HN 0.036 nan 8.210 nan 0.000 0.530 302 T N 1.614 116.127 114.554 -0.067 0.000 3.055 302 T HA -0.008 4.342 4.350 -0.000 0.000 0.265 302 T C 0.526 175.068 174.700 -0.263 0.000 1.111 302 T CA 0.308 62.359 62.100 -0.082 0.000 1.118 302 T CB -0.073 68.773 68.868 -0.037 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.566 119.017 119.800 -0.361 0.000 2.522 303 Q HA 0.551 4.891 4.340 -0.000 0.000 0.285 303 Q C -3.480 172.394 176.000 -0.209 0.000 0.982 303 Q CA -2.566 52.895 55.803 -0.570 0.000 0.805 303 Q CB 0.829 28.749 28.738 -1.363 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.019 nan 4.420 nan 0.000 0.261 304 P C -0.595 176.736 177.300 0.052 0.000 1.173 304 P CA 0.219 63.345 63.100 0.042 0.000 0.760 304 P CB 0.252 32.067 31.700 0.193 0.000 0.783 305 I N 3.141 123.732 120.570 0.036 0.000 2.441 305 I HA 0.077 4.247 4.170 -0.000 0.000 0.287 305 I C 1.527 177.683 176.117 0.066 0.000 1.049 305 I CA 0.663 61.988 61.300 0.040 0.000 1.381 305 I CB 0.423 38.438 38.000 0.025 0.000 1.409 305 I HN 0.349 nan 8.210 nan 0.000 0.523 306 T N 3.282 117.874 114.554 0.063 0.000 2.955 306 T HA 0.129 4.479 4.350 -0.000 0.000 0.251 306 T C 0.445 175.154 174.700 0.015 0.000 1.002 306 T CA 0.287 62.431 62.100 0.073 0.000 0.970 306 T CB 0.363 69.310 68.868 0.132 0.000 1.091 306 T HN 0.805 nan 8.240 nan 0.000 0.495 307 S N 0.101 115.799 115.700 -0.004 0.000 2.588 307 S HA 0.722 5.192 4.470 -0.000 0.000 0.269 307 S C -1.491 173.102 174.600 -0.012 0.000 1.157 307 S CA -0.943 57.242 58.200 -0.025 0.000 0.824 307 S CB 1.848 65.035 63.200 -0.021 0.000 1.126 307 S HN 0.272 nan 8.310 nan 0.000 0.464 308 I N 1.202 121.770 120.570 -0.003 0.000 2.545 308 I HA 0.713 4.883 4.170 -0.000 0.000 0.292 308 I C -1.349 174.757 176.117 -0.018 0.000 1.040 308 I CA -0.701 60.612 61.300 0.023 0.000 1.068 308 I CB 1.754 39.789 38.000 0.058 0.000 1.251 308 I HN 1.018 nan 8.210 nan 0.000 0.424 309 K N 6.352 126.704 120.400 -0.080 0.000 2.477 309 K HA 0.658 4.978 4.320 -0.000 0.000 0.255 309 K C -2.034 174.390 176.600 -0.293 0.000 0.952 309 K CA -0.966 55.150 56.287 -0.285 0.000 0.826 309 K CB 2.437 34.841 32.500 -0.159 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.112 121.979 121.223 -0.593 0.000 2.349 310 L HA 0.438 4.778 4.340 -0.000 0.000 0.278 310 L C -1.183 175.623 176.870 -0.107 0.000 0.996 310 L CA -0.000 54.661 54.840 -0.297 0.000 0.825 310 L CB 1.765 43.605 42.059 -0.364 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.139 125.379 120.200 0.067 0.000 2.214 311 E HA 0.573 4.923 4.350 -0.000 0.000 0.274 311 E C -1.137 175.508 176.600 0.076 0.000 0.977 311 E CA -0.613 55.848 56.400 0.101 0.000 0.827 311 E CB 2.325 32.150 29.700 0.209 0.000 1.130 311 E HN 0.542 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 -0.786 175.344 176.117 0.021 0.000 1.026 312 I CA -1.005 60.313 61.300 0.029 0.000 1.078 312 I CB 1.902 39.931 38.000 0.049 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.223 124.124 119.914 -0.022 0.000 2.427 313 V HA 0.488 4.608 4.120 -0.000 0.000 0.286 313 V C 0.032 176.112 176.094 -0.023 0.000 1.034 313 V CA -0.401 61.899 62.300 -0.000 0.000 0.893 313 V CB 1.474 33.299 31.823 0.003 0.000 0.982 313 V HN 0.730 nan 8.190 nan 0.000 0.452 314 T N 3.697 118.277 114.554 0.042 0.000 2.809 314 T HA 0.655 5.005 4.350 -0.000 0.000 0.284 314 T C -0.130 174.659 174.700 0.148 0.000 0.992 314 T CA -0.517 61.642 62.100 0.099 0.000 0.957 314 T CB 1.390 70.379 68.868 0.201 0.000 0.942 314 T HN 0.931 nan 8.240 nan 0.000 0.439 315 S N 2.626 118.405 115.700 0.131 0.000 2.627 315 S HA 0.782 5.252 4.470 -0.000 0.000 0.283 315 S C -1.210 173.498 174.600 0.180 0.000 1.127 315 S CA -1.128 57.181 58.200 0.181 0.000 0.863 315 S CB 2.342 65.623 63.200 0.134 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.179 120.717 120.400 0.230 0.000 2.316 316 K HA 0.565 4.885 4.320 -0.000 0.000 0.251 316 K C 0.664 177.287 176.600 0.037 0.000 0.934 316 K CA -0.660 55.684 56.287 0.095 0.000 0.802 316 K CB 1.830 34.332 32.500 0.004 0.000 1.171 316 K HN 0.643 nan 8.250 nan 0.000 0.426 317 S N 1.252 116.957 115.700 0.008 0.000 2.354 317 S HA -0.168 4.302 4.470 -0.000 0.000 0.219 317 S C 1.526 176.097 174.600 -0.048 0.000 1.035 317 S CA 1.620 59.818 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 0.891 nan 8.310 nan 0.000 0.428 318 G N 0.542 109.284 108.800 -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 0.580 175.302 174.900 -0.297 0.000 1.435 318 G CA 0.426 45.441 45.100 -0.141 0.000 0.890 318 G HN 1.304 nan 8.290 nan 0.000 0.552 319 G N -2.392 106.107 108.800 -0.502 0.000 2.788 319 G HA2 0.294 4.254 3.960 -0.000 0.000 0.686 319 G HA3 0.294 4.254 3.960 -0.000 0.000 0.686 319 G C -0.757 173.850 174.900 -0.489 0.000 1.147 319 G CA 0.170 44.592 45.100 -1.130 0.000 0.755 319 G HN 0.718 nan 8.290 nan 0.000 0.634 320 Q N -0.489 119.139 119.800 -0.286 0.000 2.870 320 Q HA 0.795 5.135 4.340 -0.000 0.000 0.366 320 Q C 1.499 177.620 176.000 0.202 0.000 0.738 320 Q CA 0.053 55.873 55.803 0.027 0.000 0.870 320 Q CB 0.613 29.341 28.738 -0.016 0.000 1.237 320 Q HN 1.479 nan 8.270 nan 0.000 0.497 321 A N 0.394 123.285 122.820 0.117 0.000 1.889 321 A HA 0.231 4.551 4.320 -0.000 0.000 0.209 321 A C 0.855 178.508 177.584 0.114 0.000 1.315 321 A CA 1.457 53.559 52.037 0.108 0.000 0.611 321 A CB -1.266 17.769 19.000 0.059 0.000 0.950 321 A HN 0.509 nan 8.150 nan 0.000 0.477 322 G N -0.953 107.889 108.800 0.069 0.000 2.350 322 G HA2 0.455 4.415 3.960 -0.000 0.000 0.306 322 G HA3 0.455 4.415 3.960 -0.000 0.000 0.306 322 G C -0.570 174.362 174.900 0.054 0.000 1.094 322 G CA -0.047 45.087 45.100 0.057 0.000 0.953 322 G HN 0.324 nan 8.290 nan 0.000 0.420 323 D N 0.638 121.085 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 -0.000 0.000 0.242 323 D C 0.353 176.684 176.300 0.052 0.000 1.106 323 D CA 0.189 54.223 54.000 0.057 0.000 0.854 323 D CB 0.350 41.181 40.800 0.051 0.000 1.192 323 D HN 0.342 nan 8.370 nan 0.000 0.503 324 Q N 0.770 120.601 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 -0.000 0.000 0.262 324 Q C -0.346 175.674 176.000 0.034 0.000 1.328 324 Q CA 0.779 56.589 55.803 0.011 0.000 0.794 324 Q CB -1.423 27.303 28.738 -0.019 0.000 0.888 324 Q HN 0.444 nan 8.270 nan 0.000 0.305 325 M N 1.029 120.667 119.600 0.063 0.000 2.157 325 M HA 0.541 5.021 4.480 -0.000 0.000 0.354 325 M C 0.274 176.626 176.300 0.087 0.000 1.170 325 M CA -0.436 54.949 55.300 0.143 0.000 1.060 325 M CB 1.803 34.572 32.600 0.282 0.000 1.615 325 M HN 0.484 nan 8.290 nan 0.000 0.460 326 S N 3.042 118.811 115.700 0.115 0.000 2.541 326 S HA 0.866 5.336 4.470 -0.000 0.000 0.280 326 S C -1.460 173.273 174.600 0.222 0.000 1.112 326 S CA -0.836 57.388 58.200 0.041 0.000 0.925 326 S CB 1.738 64.912 63.200 -0.044 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.196 121.680 121.300 0.307 0.000 3.118 327 W HA 0.721 5.381 4.660 -0.000 0.000 0.328 327 W C -1.226 175.426 176.519 0.221 0.000 1.239 327 W CA -0.873 56.619 57.345 0.244 0.000 1.176 327 W CB 1.253 30.875 29.460 0.269 0.000 1.433 327 W HN 0.708 nan 8.180 nan 0.000 0.562 328 S N 1.067 117.124 115.700 0.596 0.000 2.475 328 S HA 0.807 5.277 4.470 -0.000 0.000 0.298 328 S C -0.722 174.156 174.600 0.462 0.000 1.119 328 S CA -0.223 58.225 58.200 0.414 0.000 1.085 328 S CB 1.005 64.325 63.200 0.199 0.000 1.028 328 S HN 0.833 nan 8.310 nan 0.000 0.489 329 A N 4.468 127.508 122.820 0.366 0.000 2.414 329 A HA 0.871 5.191 4.320 -0.000 0.000 0.306 329 A C -0.603 176.967 177.584 -0.024 0.000 1.054 329 A CA -0.783 51.236 52.037 -0.031 0.000 0.724 329 A CB 1.443 20.396 19.000 -0.077 0.000 1.267 329 A HN 0.745 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 0.683 5.023 4.340 -0.000 0.000 0.278 330 R C -0.582 175.643 176.300 -0.125 0.000 1.010 330 R CA 0.337 56.386 56.100 -0.085 0.000 0.896 330 R CB 2.193 32.466 30.300 -0.045 0.000 1.211 330 R HN 2.071 nan 8.270 nan 0.000 0.456 331 G N 0.915 109.662 108.800 -0.089 0.000 2.333 331 G HA2 0.093 4.053 3.960 -0.000 0.000 0.330 331 G HA3 0.093 4.053 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 -0.643 44.402 45.100 -0.092 0.000 0.996 331 G HN 0.566 nan 8.290 nan 0.000 0.655 332 S N -0.537 115.090 115.700 -0.121 0.000 2.566 332 S HA 0.882 5.352 4.470 -0.000 0.000 0.298 332 S C -0.277 174.207 174.600 -0.193 0.000 1.083 332 S CA -0.960 57.141 58.200 -0.166 0.000 0.978 332 S CB 2.086 65.207 63.200 -0.131 0.000 1.073 332 S HN 0.769 nan 8.310 nan 0.000 0.491 333 L N 0.910 121.980 121.223 -0.255 0.000 2.319 333 L HA 0.886 5.226 4.340 -0.000 0.000 0.267 333 L C -0.266 176.514 176.870 -0.150 0.000 1.011 333 L CA -1.131 53.552 54.840 -0.262 0.000 0.818 333 L CB 1.786 43.606 42.059 -0.399 0.000 1.316 333 L HN 0.845 nan 8.230 nan 0.000 0.432 334 A N 1.671 124.439 122.820 -0.086 0.000 2.330 334 A HA 0.719 5.039 4.320 -0.000 0.000 0.313 334 A C -0.889 176.700 177.584 0.009 0.000 1.124 334 A CA -0.471 51.549 52.037 -0.027 0.000 0.774 334 A CB 1.490 20.480 19.000 -0.017 0.000 1.198 334 A HN 0.369 nan 8.150 nan 0.000 0.465 335 V N 2.846 122.796 119.914 0.059 0.000 2.328 335 V HA 0.400 4.520 4.120 -0.000 0.000 0.278 335 V C 0.112 176.255 176.094 0.081 0.000 1.021 335 V CA -0.220 62.136 62.300 0.093 0.000 0.838 335 V CB 1.172 33.085 31.823 0.149 0.000 0.999 335 V HN 0.871 nan 8.190 nan 0.000 0.447 336 T N 7.028 121.570 114.554 -0.019 0.000 2.743 336 T HA 0.483 4.833 4.350 -0.000 0.000 0.292 336 T C -0.022 174.533 174.700 -0.243 0.000 0.972 336 T CA -0.149 61.879 62.100 -0.120 0.000 0.967 336 T CB 0.651 69.430 68.868 -0.149 0.000 0.926 336 T HN 0.615 nan 8.240 nan 0.000 0.459 337 I N 1.868 122.349 120.570 -0.147 0.000 2.312 337 I HA 0.406 4.575 4.170 -0.000 0.000 0.290 337 I C -0.241 175.793 176.117 -0.138 0.000 1.008 337 I CA -0.798 60.412 61.300 -0.149 0.000 1.226 337 I CB 0.681 38.698 38.000 0.028 0.000 1.371 337 I HN 0.546 nan 8.210 nan 0.000 0.468 338 H N 5.352 124.447 119.070 0.043 0.000 2.886 338 H HA 0.132 4.688 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 1.055 57.119 56.048 0.027 0.000 1.456 338 H CB 0.865 30.640 29.762 0.021 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.676 111.557 108.800 0.135 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 1.554 176.506 174.900 0.086 0.000 0.993 339 G CA 0.843 45.991 45.100 0.081 0.000 0.701 339 G HN 0.868 nan 8.290 nan 0.000 0.524 340 G N 0.121 108.961 108.800 0.066 0.000 2.450 340 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 340 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 340 G C 1.329 176.261 174.900 0.054 0.000 1.130 340 G CA 1.302 46.436 45.100 0.056 0.000 0.760 340 G HN 0.519 nan 8.290 nan 0.000 0.557 341 N N -0.863 117.862 118.700 0.042 0.000 2.336 341 N HA 0.062 4.801 4.740 -0.000 0.000 0.189 341 N C -0.277 175.261 175.510 0.047 0.000 1.113 341 N CA -0.475 52.586 53.050 0.019 0.000 0.858 341 N CB -0.114 38.361 38.487 -0.020 0.000 0.970 341 N HN 0.430 nan 8.380 nan 0.000 0.471 342 Y N 2.693 122.976 120.300 -0.029 0.000 2.605 342 Y HA 0.142 4.692 4.550 -0.000 0.000 0.336 342 Y C -2.103 173.773 175.900 -0.040 0.000 1.111 342 Y CA -2.014 56.064 58.100 -0.037 0.000 1.422 342 Y CB 0.498 38.929 38.460 -0.049 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.078 nan 4.420 nan 0.000 0.260 343 P C 0.526 177.750 177.300 -0.126 0.000 1.185 343 P CA 1.950 64.903 63.100 -0.246 0.000 0.763 343 P CB 0.481 31.984 31.700 -0.329 0.000 0.776 344 G N 3.276 112.093 108.800 0.029 0.000 2.313 344 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.215 344 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.215 344 G C 1.210 176.228 174.900 0.196 0.000 1.023 344 G CA 0.332 45.509 45.100 0.130 0.000 0.626 344 G HN 0.611 nan 8.290 nan 0.000 0.503 345 A N -0.202 122.717 122.820 0.165 0.000 1.969 345 A HA 0.535 4.854 4.320 -0.000 0.000 0.218 345 A C 2.189 179.895 177.584 0.203 0.000 1.169 345 A CA 2.047 54.143 52.037 0.098 0.000 0.635 345 A CB -0.198 18.839 19.000 0.061 0.000 0.810 345 A HN 0.979 nan 8.150 nan 0.000 0.445 346 L N -3.784 117.541 121.223 0.170 0.000 3.316 346 L HA 0.203 4.543 4.340 -0.000 0.000 0.300 346 L C 2.060 179.058 176.870 0.214 0.000 1.128 346 L CA 0.199 55.137 54.840 0.163 0.000 1.111 346 L CB 0.065 42.202 42.059 0.129 0.000 1.687 346 L HN 0.295 nan 8.230 nan 0.000 0.594 347 R N 1.736 122.332 120.500 0.159 0.000 2.072 347 R HA 0.077 4.417 4.340 -0.000 0.000 0.221 347 R C -1.769 174.597 176.300 0.109 0.000 1.166 347 R CA 0.706 56.864 56.100 0.097 0.000 0.917 347 R CB -0.911 29.401 30.300 0.021 0.000 0.815 347 R HN 0.021 nan 8.270 nan 0.000 0.444 348 P HA 0.123 nan 4.420 nan 0.000 0.275 348 P C -1.302 176.111 177.300 0.188 0.000 1.227 348 P CA 0.141 63.290 63.100 0.081 0.000 0.781 348 P CB 1.508 33.234 31.700 0.043 0.000 0.906 349 V N 3.302 123.332 119.914 0.193 0.000 2.588 349 V HA 0.387 4.507 4.120 -0.000 0.000 0.304 349 V C 0.084 176.253 176.094 0.125 0.000 1.042 349 V CA -0.288 62.119 62.300 0.179 0.000 0.877 349 V CB 2.235 34.183 31.823 0.209 0.000 0.996 349 V HN 0.467 nan 8.190 nan 0.000 0.425 350 T N 6.047 120.648 114.554 0.078 0.000 2.770 350 T HA 0.628 4.978 4.350 -0.000 0.000 0.283 350 T C -0.612 174.120 174.700 0.053 0.000 0.988 350 T CA -0.278 61.878 62.100 0.093 0.000 0.957 350 T CB 0.909 69.855 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.114 125.342 121.223 0.008 0.000 2.282 351 L HA 0.553 4.892 4.340 -0.000 0.000 0.288 351 L C -0.352 176.525 176.870 0.011 0.000 1.033 351 L CA -0.421 54.385 54.840 -0.056 0.000 0.807 351 L CB 1.684 43.677 42.059 -0.110 0.000 1.209 351 L HN 0.383 nan 8.230 nan 0.000 0.423 352 V N 3.426 123.356 119.914 0.027 0.000 2.326 352 V HA 0.751 4.871 4.120 -0.000 0.000 0.281 352 V C 0.091 176.263 176.094 0.130 0.000 1.015 352 V CA -0.668 61.696 62.300 0.107 0.000 0.823 352 V CB 1.262 33.211 31.823 0.210 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.571 128.465 122.820 0.122 0.000 2.317 353 A HA 0.916 5.236 4.320 -0.000 0.000 0.327 353 A C -0.901 176.916 177.584 0.388 0.000 1.178 353 A CA -0.485 51.660 52.037 0.179 0.000 0.817 353 A CB 0.852 19.932 19.000 0.132 0.000 1.189 353 A HN 0.977 nan 8.150 nan 0.000 0.489 354 Y N -0.018 120.478 120.300 0.326 0.000 2.524 354 Y HA 0.795 5.345 4.550 -0.000 0.000 0.344 354 Y C -0.310 175.660 175.900 0.116 0.000 1.012 354 Y CA -0.944 57.317 58.100 0.269 0.000 1.068 354 Y CB 1.362 39.917 38.460 0.158 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.806 121.023 120.200 0.028 0.000 2.430 355 E HA 0.565 4.915 4.350 -0.000 0.000 0.279 355 E C -0.559 175.996 176.600 -0.075 0.000 1.003 355 E CA -1.287 55.010 56.400 -0.171 0.000 0.801 355 E CB 1.521 30.884 29.700 -0.562 0.000 1.313 355 E HN 0.582 nan 8.360 nan 0.000 0.459 356 R N -0.897 119.572 120.500 -0.052 0.000 3.989 356 R HA -0.102 4.238 4.340 -0.000 0.000 0.377 356 R C -0.445 175.874 176.300 0.032 0.000 1.158 356 R CA 0.855 56.943 56.100 -0.021 0.000 1.035 356 R CB -2.820 27.450 30.300 -0.050 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.404 121.370 119.914 0.088 0.000 2.614 357 V HA 0.439 4.559 4.120 -0.000 0.000 0.291 357 V C 1.448 177.580 176.094 0.065 0.000 1.049 357 V CA -0.045 62.305 62.300 0.083 0.000 1.038 357 V CB 1.537 33.426 31.823 0.110 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.868 126.712 122.820 0.040 0.000 2.511 358 A HA 0.322 4.642 4.320 -0.000 0.000 0.242 358 A C 0.767 178.375 177.584 0.040 0.000 1.069 358 A CA -0.001 52.057 52.037 0.035 0.000 0.763 358 A CB -0.305 18.712 19.000 0.028 0.000 1.001 358 A HN 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.873 116.451 114.554 0.041 0.000 2.908 359 T HA 0.401 4.751 4.350 -0.000 0.000 0.301 359 T C 1.545 176.265 174.700 0.033 0.000 1.019 359 T CA 1.615 63.741 62.100 0.043 0.000 1.152 359 T CB 0.410 69.299 68.868 0.035 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.708 111.529 108.800 0.035 0.000 2.195 360 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 360 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 360 G C 0.377 175.285 174.900 0.012 0.000 0.984 360 G CA 0.110 45.225 45.100 0.024 0.000 0.633 360 G HN 1.132 nan 8.290 nan 0.000 0.525 361 S N -0.689 115.015 115.700 0.007 0.000 2.632 361 S HA 0.719 5.189 4.470 -0.000 0.000 0.267 361 S C 0.146 174.726 174.600 -0.034 0.000 1.276 361 S CA -0.268 57.924 58.200 -0.013 0.000 0.998 361 S CB 2.491 65.682 63.200 -0.016 0.000 0.953 361 S HN 0.983 nan 8.310 nan 0.000 0.547 362 V N 1.900 121.786 119.914 -0.046 0.000 2.394 362 V HA 0.351 4.471 4.120 -0.000 0.000 0.282 362 V C -0.264 175.766 176.094 -0.107 0.000 1.031 362 V CA -0.753 61.508 62.300 -0.064 0.000 0.881 362 V CB 1.298 33.097 31.823 -0.040 0.000 0.982 362 V HN 0.774 nan 8.190 nan 0.000 0.451 363 V N 4.612 124.423 119.914 -0.171 0.000 2.364 363 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 363 V C 0.475 176.485 176.094 -0.140 0.000 1.036 363 V CA -0.089 62.077 62.300 -0.222 0.000 0.880 363 V CB 1.647 33.203 31.823 -0.445 0.000 0.991 363 V HN 0.969 nan 8.190 nan 0.000 0.460 364 T N 5.284 119.792 114.554 -0.078 0.000 2.767 364 T HA 0.532 4.882 4.350 -0.000 0.000 0.288 364 T C -0.232 174.476 174.700 0.013 0.000 0.963 364 T CA -0.270 61.816 62.100 -0.025 0.000 1.019 364 T CB 1.414 70.272 68.868 -0.017 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.656 122.608 119.914 0.064 0.000 2.459 365 V HA 0.836 4.956 4.120 -0.000 0.000 0.295 365 V C -0.093 176.068 176.094 0.110 0.000 1.029 365 V CA -0.816 61.561 62.300 0.127 0.000 0.874 365 V CB 1.419 33.379 31.823 0.228 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.397 126.260 122.820 0.071 0.000 2.427 366 A HA 0.969 5.289 4.320 -0.000 0.000 0.298 366 A C -0.174 177.419 177.584 0.015 0.000 1.036 366 A CA -0.008 52.052 52.037 0.039 0.000 0.701 366 A CB 1.887 20.896 19.000 0.014 0.000 1.250 366 A HN 1.211 nan 8.150 nan 0.000 0.412 367 G N -0.313 108.499 108.800 0.021 0.000 2.695 367 G HA2 0.638 4.598 3.960 -0.000 0.000 0.290 367 G HA3 0.638 4.598 3.960 -0.000 0.000 0.290 367 G C -1.778 173.126 174.900 0.007 0.000 1.410 367 G CA -0.560 44.532 45.100 -0.014 0.000 0.844 367 G HN 1.129 nan 8.290 nan 0.000 0.478 368 V N 0.271 120.175 119.914 -0.016 0.000 2.638 368 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 368 V C -0.258 175.817 176.094 -0.032 0.000 1.052 368 V CA -0.710 61.591 62.300 0.001 0.000 0.885 368 V CB 1.908 33.730 31.823 -0.002 0.000 0.999 368 V HN 0.757 nan 8.190 nan 0.000 0.424 369 S N 4.096 119.786 115.700 -0.016 0.000 2.482 369 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 369 S C -0.643 173.763 174.600 -0.323 0.000 1.091 369 S CA -0.810 57.282 58.200 -0.180 0.000 1.057 369 S CB 1.186 64.352 63.200 -0.057 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.706 120.088 118.700 -0.529 0.000 2.321 370 N HA 0.609 5.349 4.740 -0.000 0.000 0.299 370 N C -1.500 173.647 175.510 -0.605 0.000 1.048 370 N CA -0.229 52.602 53.050 -0.366 0.000 0.836 370 N CB 1.402 39.806 38.487 -0.138 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.015 119.984 119.950 0.031 0.000 2.576 371 F HA 0.334 4.861 4.527 -0.000 0.000 0.313 371 F C 0.495 176.301 175.800 0.010 0.000 1.078 371 F CA -0.875 57.126 58.000 0.002 0.000 0.921 371 F CB 1.903 40.876 39.000 -0.045 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.957 123.261 120.200 0.175 0.000 2.227 372 E HA 0.606 4.956 4.350 -0.000 0.000 0.282 372 E C -1.155 175.578 176.600 0.221 0.000 1.015 372 E CA -0.431 56.054 56.400 0.141 0.000 0.823 372 E CB 1.567 31.165 29.700 -0.170 0.000 1.081 372 E HN 0.413 nan 8.360 nan 0.000 0.396 373 L N 3.699 125.079 121.223 0.261 0.000 2.388 373 L HA 0.554 4.894 4.340 -0.000 0.000 0.264 373 L C -0.656 176.389 176.870 0.292 0.000 0.998 373 L CA -0.820 54.112 54.840 0.154 0.000 0.817 373 L CB 1.862 43.687 42.059 -0.389 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.436 124.209 120.570 0.338 0.000 2.362 374 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 374 I C -2.213 174.140 176.117 0.393 0.000 0.994 374 I CA -2.009 59.465 61.300 0.291 0.000 1.158 374 I CB 1.971 40.086 38.000 0.191 0.000 1.315 374 I HN 0.246 nan 8.210 nan 0.000 0.451 375 P HA 0.059 nan 4.420 nan 0.000 0.272 375 P C -0.983 176.353 177.300 0.059 0.000 1.223 375 P CA -0.347 62.847 63.100 0.156 0.000 0.784 375 P CB 0.279 32.011 31.700 0.053 0.000 0.923 376 N N 2.445 121.112 118.700 -0.056 0.000 2.354 376 N HA 0.077 4.817 4.740 -0.000 0.000 0.246 376 N C -1.973 173.518 175.510 -0.032 0.000 1.285 376 N CA -1.605 51.423 53.050 -0.037 0.000 0.925 376 N CB -1.356 37.085 38.487 -0.077 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.161 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 1.505 64.597 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 -0.949 119.226 120.200 -0.042 0.000 2.072 378 E HA -0.104 4.246 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 0.741 57.115 56.400 -0.044 0.000 0.803 378 E CB -1.042 28.630 29.700 -0.047 0.000 0.755 378 E HN 0.014 nan 8.360 nan 0.000 0.453 379 L N -0.012 121.162 121.223 -0.081 0.000 2.156 379 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 379 L C 2.038 178.877 176.870 -0.052 0.000 1.095 379 L CA 1.497 56.281 54.840 -0.094 0.000 0.770 379 L CB -0.678 41.265 42.059 -0.193 0.000 0.914 379 L HN 0.181 nan 8.230 nan 0.000 0.439 380 A N -0.892 121.907 122.820 -0.036 0.000 2.131 380 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 380 A C 2.178 179.755 177.584 -0.012 0.000 1.158 380 A CA 1.535 53.566 52.037 -0.011 0.000 0.665 380 A CB -0.526 18.472 19.000 -0.002 0.000 0.795 380 A HN 0.476 nan 8.150 nan 0.000 0.460 381 K N -0.806 119.584 120.400 -0.017 0.000 2.366 381 K HA 0.017 4.337 4.320 -0.000 0.000 0.198 381 K C 0.375 176.969 176.600 -0.011 0.000 1.044 381 K CA 0.841 57.120 56.287 -0.014 0.000 0.973 381 K CB 0.058 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 -0.165 118.529 118.700 -0.011 0.000 2.118 382 N HA 0.046 4.786 4.740 -0.000 0.000 0.226 382 N C -1.015 174.497 175.510 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 2.509 123.737 121.223 0.007 0.000 2.318 383 L HA 0.441 4.781 4.340 -0.000 0.000 0.277 383 L C -0.311 176.571 176.870 0.020 0.000 1.008 383 L CA -0.564 54.292 54.840 0.028 0.000 0.846 383 L CB 1.221 43.310 42.059 0.049 0.000 1.220 383 L HN -0.276 nan 8.230 nan 0.000 0.423 384 V N 4.114 124.036 119.914 0.013 0.000 2.585 384 V HA 0.246 4.366 4.120 -0.000 0.000 0.296 384 V C 0.842 176.926 176.094 -0.017 0.000 1.035 384 V CA 0.007 62.303 62.300 -0.007 0.000 1.084 384 V CB 1.257 33.075 31.823 -0.008 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.484 117.007 114.554 -0.051 0.000 2.912 385 T HA 0.811 5.161 4.350 -0.000 0.000 0.288 385 T C -0.758 173.840 174.700 -0.169 0.000 1.030 385 T CA -0.903 61.139 62.100 -0.097 0.000 1.020 385 T CB 2.292 71.105 68.868 -0.092 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.155 120.205 120.200 -0.249 0.000 2.408 386 E HA 0.360 4.710 4.350 -0.000 0.000 0.275 386 E C -1.276 175.116 176.600 -0.346 0.000 0.935 386 E CA -0.978 55.268 56.400 -0.255 0.000 0.775 386 E CB 1.838 31.457 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.505 120.763 120.300 -0.070 0.000 2.480 387 Y HA 0.229 4.779 4.550 -0.000 0.000 0.338 387 Y C 1.432 177.328 175.900 -0.007 0.000 1.220 387 Y CA 0.196 58.295 58.100 -0.002 0.000 1.430 387 Y CB 0.520 38.995 38.460 0.025 0.000 1.311 387 Y HN 0.606 nan 8.280 nan 0.000 0.575 388 G N 2.826 111.811 108.800 0.308 0.000 2.559 388 G HA2 0.062 4.022 3.960 -0.000 0.000 0.235 388 G HA3 0.062 4.022 3.960 -0.000 0.000 0.235 388 G C -0.213 174.805 174.900 0.196 0.000 1.266 388 G CA -0.886 44.369 45.100 0.259 0.000 0.847 388 G HN 0.437 nan 8.290 nan 0.000 0.583 389 R N -0.120 120.470 120.500 0.152 0.000 2.538 389 R HA -0.014 4.326 4.340 -0.000 0.000 0.282 389 R C -0.321 176.088 176.300 0.182 0.000 1.009 389 R CA -0.428 55.757 56.100 0.141 0.000 1.063 389 R CB -0.001 30.355 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.860 124.830 119.950 0.033 0.000 2.421 390 F HA 0.166 4.693 4.527 -0.000 0.000 0.358 390 F C -0.342 175.466 175.800 0.013 0.000 1.115 390 F CA -1.399 56.611 58.000 0.017 0.000 1.160 390 F CB 0.456 39.460 39.000 0.006 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.083 128.177 120.400 -0.510 0.000 2.620 391 D HA 0.323 4.963 4.640 -0.000 0.000 0.252 391 D C -3.289 172.595 176.300 -0.693 0.000 1.207 391 D CA -2.041 51.545 54.000 -0.690 0.000 0.884 391 D CB 1.740 42.360 40.800 -0.299 0.000 1.262 391 D HN 0.215 nan 8.370 nan 0.000 0.552 392 P HA 0.284 nan 4.420 nan 0.000 0.274 392 P C 1.013 178.202 177.300 -0.184 0.000 1.231 392 P CA 0.445 63.305 63.100 -0.400 0.000 0.790 392 P CB 1.080 32.631 31.700 -0.249 0.000 0.951 393 G N 1.390 110.152 108.800 -0.063 0.000 2.205 393 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 393 G HA3 -0.356 3.604 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 0.716 45.816 45.100 0.000 0.000 0.632 393 G HN 0.738 nan 8.290 nan 0.000 0.533 394 A N -0.488 122.324 122.820 -0.014 0.000 1.877 394 A HA 0.202 4.522 4.320 -0.000 0.000 0.216 394 A C 2.273 179.921 177.584 0.107 0.000 1.186 394 A CA 2.832 54.899 52.037 0.049 0.000 0.620 394 A CB -0.369 18.625 19.000 -0.010 0.000 0.822 394 A HN 1.153 nan 8.150 nan 0.000 0.443 395 M N 0.847 120.460 119.600 0.022 0.000 2.132 395 M HA -0.079 4.401 4.480 -0.000 0.000 0.263 395 M C 1.539 177.889 176.300 0.082 0.000 1.065 395 M CA 1.728 57.035 55.300 0.011 0.000 1.122 395 M CB -0.956 31.618 32.600 -0.042 0.000 1.365 395 M HN 0.512 nan 8.290 nan 0.000 0.411 396 N N -1.318 117.436 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 396 N C 1.733 177.321 175.510 0.130 0.000 1.019 396 N CA 1.611 54.718 53.050 0.096 0.000 0.856 396 N CB -0.408 38.132 38.487 0.088 0.000 0.993 396 N HN 0.429 nan 8.380 nan 0.000 0.426 397 Y N 2.341 122.673 120.300 0.053 0.000 2.200 397 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 397 Y C 2.523 178.480 175.900 0.095 0.000 1.137 397 Y CA 1.407 59.549 58.100 0.070 0.000 1.163 397 Y CB -0.467 38.035 38.460 0.070 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.190 114.875 114.554 0.219 0.000 2.708 398 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 398 T C 1.800 176.563 174.700 0.105 0.000 1.037 398 T CA 1.911 64.129 62.100 0.196 0.000 1.146 398 T CB -0.198 68.860 68.868 0.316 0.000 0.865 398 T HN 0.267 nan 8.240 nan 0.000 0.435 399 K N 0.376 120.832 120.400 0.093 0.000 2.097 399 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 399 K C 2.199 178.800 176.600 0.003 0.000 1.049 399 K CA 0.841 57.165 56.287 0.062 0.000 0.933 399 K CB -0.342 32.195 32.500 0.061 0.000 0.717 399 K HN 0.138 nan 8.250 nan 0.000 0.442 400 L N 1.311 122.507 121.223 -0.045 0.000 1.994 400 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 400 L C 1.899 178.693 176.870 -0.127 0.000 1.071 400 L CA 1.577 56.359 54.840 -0.097 0.000 0.745 400 L CB -0.373 41.593 42.059 -0.155 0.000 0.892 400 L HN 0.082 nan 8.230 nan 0.000 0.431 401 I N -0.286 120.164 120.570 -0.200 0.000 2.127 401 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 401 I C 2.598 178.681 176.117 -0.057 0.000 1.075 401 I CA 1.653 62.860 61.300 -0.155 0.000 1.334 401 I CB -1.264 36.636 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.033 121.243 121.223 -0.022 0.000 2.093 402 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 402 L C 2.697 179.556 176.870 -0.019 0.000 1.085 402 L CA 1.404 56.242 54.840 -0.004 0.000 0.755 402 L CB -0.606 41.471 42.059 0.029 0.000 0.904 402 L HN 0.277 nan 8.230 nan 0.000 0.435 403 S N -0.227 115.461 115.700 -0.020 0.000 2.399 403 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 403 S C 1.519 176.104 174.600 -0.025 0.000 1.022 403 S CA 1.188 59.376 58.200 -0.021 0.000 0.983 403 S CB -0.071 63.118 63.200 -0.018 0.000 0.803 403 S HN 0.402 nan 8.310 nan 0.000 0.480 404 E N 0.639 120.821 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 -0.000 0.000 0.199 404 E C 1.530 178.117 176.600 -0.022 0.000 1.016 404 E CA -0.271 56.115 56.400 -0.023 0.000 0.933 404 E CB -0.011 29.678 29.700 -0.019 0.000 1.050 404 E HN 0.505 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 -0.201 4.139 4.340 -0.000 0.000 0.242 405 R C 0.900 177.163 176.300 -0.062 0.000 1.137 405 R CA 1.886 57.960 56.100 -0.044 0.000 0.944 405 R CB 0.103 30.370 30.300 -0.053 0.000 0.857 405 R HN 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.279 120.085 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 406 D C 2.026 178.293 176.300 -0.056 0.000 0.972 406 D CA 1.418 55.374 54.000 -0.073 0.000 0.835 406 D CB -0.220 40.540 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.778 121.260 120.500 -0.031 0.000 2.148 407 R HA 0.019 4.359 4.340 -0.000 0.000 0.223 407 R C 1.992 178.296 176.300 0.006 0.000 1.088 407 R CA 0.776 56.869 56.100 -0.013 0.000 0.985 407 R CB -0.428 29.872 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.333 121.566 121.223 0.015 0.000 2.446 408 L HA 0.280 4.620 4.340 -0.000 0.000 0.219 408 L C 0.905 177.799 176.870 0.040 0.000 1.116 408 L CA 0.507 55.389 54.840 0.070 0.000 0.844 408 L CB 0.017 42.139 42.059 0.106 0.000 0.970 408 L HN 0.628 nan 8.230 nan 0.000 0.457 409 G N 1.539 110.302 108.800 -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 0.035 174.736 174.900 -0.331 0.000 1.067 409 G CA -0.202 44.793 45.100 -0.176 0.000 0.902 409 G HN 0.300 nan 8.290 nan 0.000 0.500 410 I N 0.819 121.238 120.570 -0.252 0.000 2.294 410 I HA 0.213 4.383 4.170 -0.000 0.000 0.295 410 I C 0.914 176.810 176.117 -0.367 0.000 1.098 410 I CA -0.045 61.101 61.300 -0.256 0.000 1.277 410 I CB 0.439 38.394 38.000 -0.075 0.000 1.434 410 I HN 0.083 nan 8.210 nan 0.000 0.498 411 K N 3.366 123.277 120.400 -0.814 0.000 2.087 411 K HA 0.335 4.655 4.320 -0.000 0.000 0.255 411 K C 1.148 177.512 176.600 -0.393 0.000 0.988 411 K CA -0.459 55.307 56.287 -0.867 0.000 0.915 411 K CB 1.231 32.769 32.500 -1.604 0.000 1.043 411 K HN 0.560 nan 8.250 nan 0.000 0.457 412 T N -3.114 111.283 114.554 -0.261 0.000 3.051 412 T HA 0.046 4.396 4.350 -0.000 0.000 0.255 412 T C 0.687 175.364 174.700 -0.040 0.000 1.085 412 T CA -0.113 61.944 62.100 -0.073 0.000 1.109 412 T CB -0.140 68.692 68.868 -0.061 0.000 0.921 412 T HN 0.371 nan 8.240 nan 0.000 0.488 413 V N -1.700 118.113 119.914 -0.168 0.000 2.577 413 V HA 0.810 4.930 4.120 -0.000 0.000 0.303 413 V C -1.804 174.205 176.094 -0.143 0.000 1.042 413 V CA -1.755 60.512 62.300 -0.056 0.000 0.872 413 V CB 0.882 32.683 31.823 -0.038 0.000 0.998 413 V HN 0.350 nan 8.190 nan 0.000 0.423 414 W N 3.596 124.851 121.300 -0.075 0.000 2.844 414 W HA 0.734 5.394 4.660 -0.000 0.000 0.340 414 W C -2.715 173.802 176.519 -0.003 0.000 1.093 414 W CA -2.511 54.815 57.345 -0.033 0.000 1.212 414 W CB 1.807 31.266 29.460 -0.001 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 0.839 178.288 177.300 0.248 0.000 1.226 415 P CA 0.381 63.602 63.100 0.200 0.000 0.765 415 P CB 0.819 32.612 31.700 0.155 0.000 0.835 416 T N 2.802 117.460 114.554 0.173 0.000 2.699 416 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 416 T C 1.770 176.572 174.700 0.170 0.000 1.036 416 T CA 1.764 63.957 62.100 0.156 0.000 1.147 416 T CB -0.351 68.573 68.868 0.093 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.470 122.053 120.500 0.138 0.000 2.091 417 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 417 R C 2.114 178.499 176.300 0.142 0.000 1.136 417 R CA 1.848 58.017 56.100 0.116 0.000 0.959 417 R CB -0.384 29.971 30.300 0.092 0.000 0.856 417 R HN 0.475 nan 8.270 nan 0.000 0.437 418 E N -1.178 119.147 120.200 0.208 0.000 2.152 418 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 418 E C 1.573 178.357 176.600 0.307 0.000 0.983 418 E CA 1.138 57.703 56.400 0.275 0.000 0.818 418 E CB -0.202 29.703 29.700 0.342 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.537 121.881 120.300 0.073 0.000 2.220 419 Y HA -0.180 4.370 4.550 -0.000 0.000 0.291 419 Y C 2.354 178.157 175.900 -0.163 0.000 1.129 419 Y CA 1.633 59.484 58.100 -0.414 0.000 1.161 419 Y CB -0.335 37.728 38.460 -0.661 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.424 114.941 114.554 -0.061 0.000 2.684 420 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 420 T C 1.329 175.979 174.700 -0.083 0.000 1.036 420 T CA 1.757 63.802 62.100 -0.092 0.000 1.148 420 T CB -0.396 68.483 68.868 0.018 0.000 0.863 420 T HN 0.356 nan 8.240 nan 0.000 0.436 421 D N 0.444 120.850 120.400 0.010 0.000 2.123 421 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 421 D C 1.664 178.011 176.300 0.079 0.000 0.992 421 D CA 0.739 54.773 54.000 0.056 0.000 0.833 421 D CB -0.499 40.358 40.800 0.095 0.000 0.954 421 D HN 0.368 nan 8.370 nan 0.000 0.455 422 F N 1.792 121.684 119.950 -0.096 0.000 2.095 422 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 422 F C 2.282 178.036 175.800 -0.076 0.000 1.104 422 F CA 1.433 59.391 58.000 -0.071 0.000 1.232 422 F CB -0.081 38.797 39.000 -0.205 0.000 0.987 422 F HN -0.205 nan 8.300 nan 0.000 0.475 423 R N 0.375 120.657 120.500 -0.363 0.000 2.096 423 R HA -0.241 4.098 4.340 -0.000 0.000 0.240 423 R C 2.362 178.534 176.300 -0.213 0.000 1.139 423 R CA 2.175 58.068 56.100 -0.345 0.000 0.952 423 R CB -0.792 29.301 30.300 -0.345 0.000 0.854 423 R HN 0.636 nan 8.270 nan 0.000 0.436 424 E N -0.608 119.508 120.200 -0.140 0.000 2.285 424 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 424 E C 1.646 178.194 176.600 -0.086 0.000 0.997 424 E CA 0.781 57.118 56.400 -0.105 0.000 0.845 424 E CB -0.292 29.373 29.700 -0.059 0.000 0.782 424 E HN 0.414 nan 8.360 nan 0.000 0.491 425 Y N 1.089 121.295 120.300 -0.157 0.000 2.130 425 Y HA -0.030 4.520 4.550 -0.000 0.000 0.287 425 Y C 1.110 176.926 175.900 -0.140 0.000 1.124 425 Y CA 0.957 58.990 58.100 -0.112 0.000 1.118 425 Y CB -0.259 38.176 38.460 -0.041 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.506 120.288 119.950 -0.280 0.000 2.521 426 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 426 F C 1.017 176.639 175.800 -0.296 0.000 1.289 426 F CA 0.200 57.977 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 0.134 nan 8.300 nan 0.000 0.541 427 M N 2.132 120.766 119.600 -1.610 0.000 2.212 427 M HA -0.258 4.221 4.480 -0.000 0.000 0.193 427 M C 0.278 176.262 176.300 -0.526 0.000 0.493 427 M CA 0.763 55.431 55.300 -1.053 0.000 0.427 427 M CB -1.114 31.084 32.600 -0.671 0.000 1.120 427 M HN 0.805 nan 8.290 nan 0.000 0.929 428 E N -1.086 118.839 120.200 -0.458 0.000 2.474 428 E HA 0.182 4.532 4.350 -0.000 0.000 0.195 428 E C -0.030 176.422 176.600 -0.245 0.000 1.039 428 E CA 0.134 56.353 56.400 -0.302 0.000 0.881 428 E CB 0.702 30.231 29.700 -0.284 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.915 120.665 119.914 -0.274 0.000 2.483 429 V HA 0.574 4.694 4.120 -0.000 0.000 0.297 429 V C -0.666 175.309 176.094 -0.199 0.000 1.027 429 V CA -0.606 61.572 62.300 -0.203 0.000 0.855 429 V CB 1.624 33.346 31.823 -0.168 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.066 125.796 122.820 -0.150 0.000 2.839 430 A HA 0.470 4.790 4.320 -0.000 0.000 0.303 430 A C -0.406 177.123 177.584 -0.091 0.000 1.181 430 A CA -0.309 51.656 52.037 -0.120 0.000 0.808 430 A CB 0.577 19.504 19.000 -0.122 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.371 122.723 120.400 -0.081 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 0.307 54.266 54.000 -0.069 0.000 0.829 431 D CB -0.488 40.269 40.800 -0.071 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.492 119.702 121.223 -0.049 0.000 5.895 432 L HA -0.352 3.988 4.340 -0.000 0.000 0.053 432 L C 0.616 177.465 176.870 -0.035 0.000 2.741 432 L CA 1.242 56.059 54.840 -0.038 0.000 1.500 432 L CB -1.648 40.391 42.059 -0.033 0.000 2.928 432 L HN 0.283 nan 8.230 nan 0.000 1.023 433 N N -0.387 118.295 118.700 -0.031 0.000 3.112 433 N HA 0.647 5.387 4.740 -0.000 0.000 0.231 433 N C -0.378 175.117 175.510 -0.025 0.000 1.385 433 N CA 0.456 53.489 53.050 -0.028 0.000 0.790 433 N CB 0.491 38.964 38.487 -0.024 0.000 1.563 433 N HN 1.150 nan 8.380 nan 0.000 0.613 434 S N 1.052 116.735 115.700 -0.027 0.000 2.560 434 S HA 0.501 4.971 4.470 -0.000 0.000 0.276 434 S C -1.250 173.338 174.600 -0.020 0.000 1.350 434 S CA -0.508 57.677 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 0.584 nan 8.310 nan 0.000 0.536 435 P HA -0.093 nan 4.420 nan 0.000 0.041 435 P C 0.190 177.483 177.300 -0.013 0.000 0.590 435 P CA 0.554 63.645 63.100 -0.014 0.000 1.019 435 P CB -0.686 31.007 31.700 -0.013 0.000 1.776 436 L N 0.573 121.788 121.223 -0.013 0.000 2.127 436 L HA -0.107 4.233 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 1.644 56.478 54.840 -0.010 0.000 0.768 436 L CB -1.046 41.007 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.942 121.336 120.400 -0.010 0.000 2.362 437 K HA -0.116 4.204 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 1.992 58.273 56.287 -0.009 0.000 0.936 437 K CB -0.825 31.669 32.500 -0.011 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.859 118.706 120.570 -0.009 0.000 4.439 438 I HA 0.225 4.395 4.170 -0.000 0.000 0.331 438 I C 2.414 178.527 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.746 38.740 38.000 -0.009 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.631 124.447 122.820 -0.007 0.000 1.862 439 A HA 0.028 4.348 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 -1.170 17.826 19.000 -0.006 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