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 1qpo_1_F DATA FIRST_RESID 2502 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM 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 2502 G HA2 0.000 nan 3.960 nan 0.000 0.244 2502 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2502 G C 0.000 174.868 174.900 -0.054 0.000 0.946 2502 G CA 0.000 45.136 45.100 0.060 0.000 0.502 2503 L N 3.282 124.365 121.223 -0.234 0.000 2.416 2503 L HA 0.451 4.791 4.340 0.000 0.000 0.272 2503 L C 1.387 178.179 176.870 -0.130 0.000 1.161 2503 L CA -0.194 54.450 54.840 -0.328 0.000 0.845 2503 L CB 1.331 43.173 42.059 -0.361 0.000 1.119 2503 L HN 0.480 nan 8.230 nan 0.000 0.464 2504 S N 0.787 116.439 115.700 -0.080 0.000 2.646 2504 S HA 0.165 4.635 4.470 0.000 0.000 0.273 2504 S C 0.519 175.125 174.600 0.010 0.000 1.168 2504 S CA -0.559 57.645 58.200 0.007 0.000 1.013 2504 S CB 0.853 64.100 63.200 0.078 0.000 1.098 2504 S HN 0.621 nan 8.310 nan 0.000 0.544 2505 D N 0.120 120.560 120.400 0.066 0.000 2.097 2505 D HA -0.073 4.567 4.640 0.000 0.000 0.195 2505 D C 1.546 177.929 176.300 0.137 0.000 0.989 2505 D CA 1.382 55.430 54.000 0.080 0.000 0.827 2505 D CB -0.294 40.561 40.800 0.092 0.000 0.966 2505 D HN 0.701 nan 8.370 nan 0.000 0.456 2506 W N 1.767 123.054 121.300 -0.022 0.000 2.358 2506 W HA -0.205 4.455 4.660 0.000 0.000 0.303 2506 W C 1.372 177.874 176.519 -0.028 0.000 1.208 2506 W CA 1.095 58.428 57.345 -0.019 0.000 1.274 2506 W CB 0.074 29.527 29.460 -0.011 0.000 1.138 2506 W HN 0.033 nan 8.180 nan 0.000 0.515 2507 E N 0.289 120.312 120.200 -0.294 0.000 2.152 2507 E HA -0.220 4.130 4.350 0.000 0.000 0.192 2507 E C 2.236 178.638 176.600 -0.330 0.000 0.983 2507 E CA 0.774 56.894 56.400 -0.467 0.000 0.818 2507 E CB -0.364 29.122 29.700 -0.356 0.000 0.758 2507 E HN 0.139 nan 8.360 nan 0.000 0.467 2508 L N 0.875 121.981 121.223 -0.195 0.000 2.056 2508 L HA -0.084 4.256 4.340 0.000 0.000 0.207 2508 L C 2.320 179.118 176.870 -0.121 0.000 1.078 2508 L CA 1.773 56.529 54.840 -0.140 0.000 0.749 2508 L CB -1.087 40.926 42.059 -0.077 0.000 0.901 2508 L HN 0.086 nan 8.230 nan 0.000 0.433 2509 A N -0.434 122.334 122.820 -0.087 0.000 1.902 2509 A HA -0.157 4.163 4.320 0.000 0.000 0.217 2509 A C 2.463 179.974 177.584 -0.121 0.000 1.181 2509 A CA 1.847 53.858 52.037 -0.045 0.000 0.623 2509 A CB -0.683 18.362 19.000 0.075 0.000 0.818 2509 A HN 0.487 nan 8.150 nan 0.000 0.443 2510 A N -0.169 122.473 122.820 -0.297 0.000 1.873 2510 A HA 0.186 4.506 4.320 0.000 0.000 0.215 2510 A C 2.527 179.974 177.584 -0.227 0.000 1.186 2510 A CA 2.060 53.877 52.037 -0.368 0.000 0.616 2510 A CB -1.072 17.501 19.000 -0.713 0.000 0.823 2510 A HN 1.059 nan 8.150 nan 0.000 0.442 2511 A N -0.076 122.612 122.820 -0.220 0.000 1.883 2511 A HA -0.201 4.119 4.320 0.000 0.000 0.217 2511 A C 2.253 179.776 177.584 -0.102 0.000 1.186 2511 A CA 1.669 53.615 52.037 -0.153 0.000 0.624 2511 A CB -0.510 18.395 19.000 -0.159 0.000 0.822 2511 A HN 0.550 nan 8.150 nan 0.000 0.444 2512 R N -0.693 119.755 120.500 -0.087 0.000 2.096 2512 R HA -0.059 4.281 4.340 0.000 0.000 0.235 2512 R C 2.436 178.708 176.300 -0.046 0.000 1.127 2512 R CA 1.129 57.197 56.100 -0.054 0.000 0.968 2512 R CB -0.415 29.862 30.300 -0.037 0.000 0.861 2512 R HN 0.532 nan 8.270 nan 0.000 0.440 2513 A N 1.112 123.901 122.820 -0.053 0.000 1.898 2513 A HA -0.035 4.285 4.320 0.000 0.000 0.216 2513 A C 2.336 179.894 177.584 -0.042 0.000 1.181 2513 A CA 1.467 53.482 52.037 -0.037 0.000 0.620 2513 A CB -0.484 18.499 19.000 -0.029 0.000 0.819 2513 A HN 0.372 nan 8.150 nan 0.000 0.442 2514 A N 0.540 123.324 122.820 -0.060 0.000 1.873 2514 A HA -0.032 4.288 4.320 0.000 0.000 0.215 2514 A C 2.116 179.672 177.584 -0.046 0.000 1.186 2514 A CA 1.673 53.677 52.037 -0.056 0.000 0.616 2514 A CB -0.766 18.192 19.000 -0.071 0.000 0.823 2514 A HN 1.096 nan 8.150 nan 0.000 0.442 2515 I N -1.185 119.356 120.570 -0.048 0.000 2.286 2515 I HA -0.086 4.084 4.170 0.000 0.000 0.248 2515 I C 2.279 178.378 176.117 -0.031 0.000 1.115 2515 I CA 1.820 63.097 61.300 -0.039 0.000 1.392 2515 I CB -0.714 37.261 38.000 -0.042 0.000 1.065 2515 I HN 0.173 nan 8.210 nan 0.000 0.418 2516 A N 1.093 123.896 122.820 -0.029 0.000 1.933 2516 A HA -0.172 4.148 4.320 0.000 0.000 0.218 2516 A C 2.490 180.061 177.584 -0.021 0.000 1.175 2516 A CA 1.851 53.875 52.037 -0.022 0.000 0.628 2516 A CB -0.722 18.267 19.000 -0.019 0.000 0.814 2516 A HN 0.559 nan 8.150 nan 0.000 0.444 2517 R N -1.000 119.486 120.500 -0.023 0.000 2.075 2517 R HA -0.075 4.265 4.340 0.000 0.000 0.232 2517 R C 2.442 178.731 176.300 -0.018 0.000 1.126 2517 R CA 1.058 57.146 56.100 -0.020 0.000 0.963 2517 R CB -0.626 29.661 30.300 -0.022 0.000 0.858 2517 R HN 0.527 nan 8.270 nan 0.000 0.435 2518 G N 1.331 110.118 108.800 -0.021 0.000 2.421 2518 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 2518 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 2518 G C 1.450 176.345 174.900 -0.008 0.000 1.171 2518 G CA 0.471 45.561 45.100 -0.017 0.000 0.775 2518 G HN 0.123 nan 8.290 nan 0.000 0.543 2519 L N 0.306 121.522 121.223 -0.013 0.000 2.131 2519 L HA -0.046 4.294 4.340 0.000 0.000 0.210 2519 L C 2.504 179.370 176.870 -0.008 0.000 1.092 2519 L CA 1.344 56.178 54.840 -0.009 0.000 0.759 2519 L CB -0.293 41.758 42.059 -0.014 0.000 0.903 2519 L HN 0.222 nan 8.230 nan 0.000 0.435 2520 D N 0.112 120.503 120.400 -0.015 0.000 2.144 2520 D HA -0.192 4.448 4.640 0.000 0.000 0.200 2520 D C 2.022 178.307 176.300 -0.025 0.000 0.978 2520 D CA 1.169 55.152 54.000 -0.028 0.000 0.833 2520 D CB 0.168 40.949 40.800 -0.033 0.000 0.961 2520 D HN 0.282 nan 8.370 nan 0.000 0.470 2521 E N -0.294 119.908 120.200 0.004 0.000 2.110 2521 E HA -0.160 4.190 4.350 0.000 0.000 0.193 2521 E C 1.356 178.019 176.600 0.105 0.000 0.988 2521 E CA 1.068 57.498 56.400 0.050 0.000 0.804 2521 E CB 0.022 29.751 29.700 0.049 0.000 0.745 2521 E HN 0.302 nan 8.360 nan 0.000 0.458 2522 D N -0.022 120.418 120.400 0.066 0.000 2.194 2522 D HA -0.015 4.625 4.640 0.000 0.000 0.204 2522 D C 1.411 177.765 176.300 0.091 0.000 0.964 2522 D CA 0.687 54.737 54.000 0.084 0.000 0.846 2522 D CB 0.296 41.120 40.800 0.041 0.000 0.962 2522 D HN 0.108 nan 8.370 nan 0.000 0.490 2523 L N -0.287 120.957 121.223 0.034 0.000 2.640 2523 L HA 0.282 4.622 4.340 0.000 0.000 0.230 2523 L C 2.088 178.922 176.870 -0.061 0.000 1.123 2523 L CA -0.148 54.696 54.840 0.007 0.000 0.900 2523 L CB 0.206 42.260 42.059 -0.008 0.000 1.146 2523 L HN -0.143 nan 8.230 nan 0.000 0.484 2524 R N 0.468 120.874 120.500 -0.157 0.000 2.159 2524 R HA -0.173 4.167 4.340 0.000 0.000 0.237 2524 R C 1.014 176.962 176.300 -0.587 0.000 1.131 2524 R CA 1.675 57.521 56.100 -0.423 0.000 0.982 2524 R CB -0.009 29.899 30.300 -0.654 0.000 0.868 2524 R HN 0.345 nan 8.270 nan 0.000 0.453 2525 Y N -0.637 119.660 120.300 -0.005 0.000 2.524 2525 Y HA 0.394 4.944 4.550 0.000 0.000 0.266 2525 Y C 0.735 176.632 175.900 -0.004 0.000 1.180 2525 Y CA 0.245 58.342 58.100 -0.004 0.000 1.244 2525 Y CB 0.970 39.428 38.460 -0.004 0.000 1.125 2525 Y HN 0.267 nan 8.280 nan 0.000 0.524 2526 G N 0.728 109.558 108.800 0.051 0.000 2.440 2526 G HA2 -0.016 3.944 3.960 0.000 0.000 0.684 2526 G HA3 -0.016 3.944 3.960 0.000 0.000 0.684 2526 G C -2.950 171.975 174.900 0.042 0.000 1.309 2526 G CA -1.345 43.780 45.100 0.042 0.000 0.931 2526 G HN -0.051 nan 8.290 nan 0.000 0.612 2527 P HA 0.352 nan 4.420 nan 0.000 0.277 2527 P C -0.797 176.520 177.300 0.027 0.000 1.271 2527 P CA -0.339 62.775 63.100 0.022 0.000 0.795 2527 P CB 0.800 32.508 31.700 0.014 0.000 1.101 2528 D N 0.421 120.833 120.400 0.021 0.000 2.455 2528 D HA -0.014 4.626 4.640 0.000 0.000 0.234 2528 D C 1.304 177.613 176.300 0.015 0.000 1.224 2528 D CA -0.093 53.918 54.000 0.019 0.000 0.999 2528 D CB -0.190 40.619 40.800 0.014 0.000 1.072 2528 D HN 0.010 nan 8.370 nan 0.000 0.514 2529 V N 3.603 123.526 119.914 0.016 0.000 2.568 2529 V HA -0.221 3.900 4.120 0.000 0.000 0.253 2529 V C 2.044 178.144 176.094 0.009 0.000 1.072 2529 V CA 2.701 65.008 62.300 0.013 0.000 1.084 2529 V CB -0.395 31.436 31.823 0.014 0.000 0.676 2529 V HN 0.658 nan 8.190 nan 0.000 0.469 2530 T N -1.055 113.504 114.554 0.008 0.000 2.857 2530 T HA -0.180 4.170 4.350 0.000 0.000 0.266 2530 T C 2.014 176.717 174.700 0.005 0.000 1.048 2530 T CA 2.463 64.566 62.100 0.006 0.000 1.139 2530 T CB -0.520 68.351 68.868 0.004 0.000 0.874 2530 T HN 0.816 nan 8.240 nan 0.000 0.455 2531 T N 0.118 114.675 114.554 0.006 0.000 2.942 2531 T HA 0.038 4.388 4.350 0.000 0.000 0.265 2531 T C 1.918 176.622 174.700 0.006 0.000 1.062 2531 T CA 0.708 62.811 62.100 0.006 0.000 1.139 2531 T CB -0.471 68.400 68.868 0.005 0.000 0.883 2531 T HN 0.245 nan 8.240 nan 0.000 0.468 2532 L N 1.623 122.850 121.223 0.007 0.000 2.046 2532 L HA 0.262 4.602 4.340 0.000 0.000 0.208 2532 L C 3.092 179.966 176.870 0.006 0.000 1.077 2532 L CA 1.746 56.590 54.840 0.007 0.000 0.747 2532 L CB -1.244 40.819 42.059 0.008 0.000 0.896 2532 L HN 0.458 nan 8.230 nan 0.000 0.432 2533 A N -1.359 121.465 122.820 0.006 0.000 1.929 2533 A HA -0.132 4.188 4.320 0.000 0.000 0.216 2533 A C 2.305 179.892 177.584 0.004 0.000 1.176 2533 A CA 1.897 53.937 52.037 0.005 0.000 0.628 2533 A CB -0.762 18.241 19.000 0.005 0.000 0.816 2533 A HN 0.500 nan 8.150 nan 0.000 0.444 2534 T N -3.779 110.778 114.554 0.004 0.000 3.037 2534 T HA 0.321 4.671 4.350 0.000 0.000 0.252 2534 T C 0.405 175.108 174.700 0.004 0.000 1.073 2534 T CA 0.585 62.687 62.100 0.004 0.000 1.091 2534 T CB -0.198 68.672 68.868 0.003 0.000 0.935 2534 T HN 0.805 nan 8.240 nan 0.000 0.488 2535 V N 2.697 122.613 119.914 0.005 0.000 2.531 2535 V HA 0.646 4.767 4.120 0.000 0.000 0.301 2535 V C -3.030 173.068 176.094 0.006 0.000 1.034 2535 V CA -2.757 59.546 62.300 0.005 0.000 0.865 2535 V CB 2.265 34.091 31.823 0.005 0.000 0.995 2535 V HN 0.049 nan 8.190 nan 0.000 0.424 2536 P HA 0.209 nan 4.420 nan 0.000 0.271 2536 P C 0.705 178.009 177.300 0.007 0.000 1.218 2536 P CA 0.259 63.362 63.100 0.006 0.000 0.780 2536 P CB 1.651 33.354 31.700 0.006 0.000 0.901 2537 A N 3.028 125.852 122.820 0.007 0.000 1.978 2537 A HA -0.178 4.142 4.320 0.000 0.000 0.220 2537 A C 2.092 179.682 177.584 0.010 0.000 1.170 2537 A CA 2.193 54.236 52.037 0.009 0.000 0.636 2537 A CB -1.528 17.476 19.000 0.008 0.000 0.810 2537 A HN 0.665 nan 8.150 nan 0.000 0.448 2538 S N -0.388 115.317 115.700 0.009 0.000 2.561 2538 S HA 0.449 4.919 4.470 0.000 0.000 0.225 2538 S C 0.980 175.586 174.600 0.010 0.000 0.977 2538 S CA 0.299 58.505 58.200 0.009 0.000 0.926 2538 S CB -0.698 62.506 63.200 0.007 0.000 0.769 2538 S HN 0.887 nan 8.310 nan 0.000 0.533 2539 A N 1.178 124.004 122.820 0.010 0.000 2.445 2539 A HA 0.545 4.865 4.320 0.000 0.000 0.242 2539 A C 0.278 177.870 177.584 0.014 0.000 1.075 2539 A CA 0.094 52.137 52.037 0.011 0.000 0.777 2539 A CB 0.132 19.137 19.000 0.009 0.000 1.013 2539 A HN 0.323 nan 8.150 nan 0.000 0.493 2540 T N 1.087 115.650 114.554 0.015 0.000 2.993 2540 T HA 0.674 5.024 4.350 0.000 0.000 0.312 2540 T C -0.420 174.290 174.700 0.018 0.000 1.115 2540 T CA -0.106 62.006 62.100 0.019 0.000 1.027 2540 T CB 1.714 70.595 68.868 0.020 0.000 1.116 2540 T HN 0.991 nan 8.240 nan 0.000 0.464 2541 T N -0.025 114.541 114.554 0.020 0.000 2.838 2541 T HA 0.717 5.067 4.350 0.000 0.000 0.292 2541 T C -0.667 174.045 174.700 0.021 0.000 1.113 2541 T CA -0.892 61.219 62.100 0.017 0.000 1.008 2541 T CB 1.724 70.599 68.868 0.012 0.000 1.259 2541 T HN 0.398 nan 8.240 nan 0.000 0.520 2542 T N 1.254 115.819 114.554 0.018 0.000 2.794 2542 T HA 0.759 5.109 4.350 0.000 0.000 0.280 2542 T C -0.459 174.249 174.700 0.013 0.000 0.987 2542 T CA -0.509 61.603 62.100 0.019 0.000 0.993 2542 T CB 1.037 69.915 68.868 0.017 0.000 0.939 2542 T HN 1.007 nan 8.240 nan 0.000 0.449 2543 A N 2.397 125.224 122.820 0.012 0.000 2.498 2543 A HA 0.860 5.180 4.320 0.000 0.000 0.298 2543 A C -0.531 177.055 177.584 0.004 0.000 1.075 2543 A CA -0.761 51.279 52.037 0.005 0.000 0.714 2543 A CB 1.719 20.718 19.000 -0.002 0.000 1.299 2543 A HN 0.660 nan 8.150 nan 0.000 0.407 2544 S N 0.837 116.538 115.700 0.002 0.000 2.526 2544 S HA 0.583 5.054 4.470 0.000 0.000 0.293 2544 S C -0.941 173.658 174.600 -0.002 0.000 1.092 2544 S CA -0.570 57.631 58.200 0.002 0.000 0.980 2544 S CB 1.222 64.425 63.200 0.005 0.000 1.048 2544 S HN 0.546 nan 8.310 nan 0.000 0.483 2545 L N 3.679 124.900 121.223 -0.002 0.000 2.261 2545 L HA 0.473 4.813 4.340 0.000 0.000 0.289 2545 L C -0.103 176.768 176.870 0.002 0.000 1.059 2545 L CA -0.135 54.703 54.840 -0.003 0.000 0.816 2545 L CB 0.634 42.690 42.059 -0.005 0.000 1.191 2545 L HN 0.552 nan 8.230 nan 0.000 0.431 2546 V N 3.113 123.028 119.914 0.002 0.000 2.604 2546 V HA 0.659 4.779 4.120 0.000 0.000 0.305 2546 V C 0.320 176.417 176.094 0.004 0.000 1.043 2546 V CA -0.481 61.821 62.300 0.004 0.000 0.888 2546 V CB 2.096 33.922 31.823 0.004 0.000 0.995 2546 V HN 0.860 nan 8.190 nan 0.000 0.429 2547 T N 3.426 117.983 114.554 0.005 0.000 2.898 2547 T HA 0.444 4.794 4.350 0.000 0.000 0.301 2547 T C 0.582 175.285 174.700 0.004 0.000 1.049 2547 T CA -0.285 61.818 62.100 0.005 0.000 1.095 2547 T CB 1.152 70.023 68.868 0.005 0.000 0.976 2547 T HN 0.793 nan 8.240 nan 0.000 0.539 2548 R N 0.235 120.738 120.500 0.005 0.000 2.365 2548 R HA 0.251 4.591 4.340 0.000 0.000 0.223 2548 R C 0.500 176.802 176.300 0.004 0.000 0.899 2548 R CA 0.057 56.160 56.100 0.004 0.000 1.059 2548 R CB 0.328 30.631 30.300 0.005 0.000 1.086 2548 R HN 0.931 nan 8.270 nan 0.000 0.522 2549 E N -1.564 118.638 120.200 0.004 0.000 2.430 2549 E HA 0.612 4.962 4.350 0.000 0.000 0.279 2549 E C -1.392 175.209 176.600 0.002 0.000 1.003 2549 E CA -1.244 55.158 56.400 0.003 0.000 0.801 2549 E CB 1.105 30.807 29.700 0.003 0.000 1.313 2549 E HN -0.064 nan 8.360 nan 0.000 0.459 2550 A N 0.441 123.262 122.820 0.001 0.000 2.371 2550 A HA 0.749 5.069 4.320 0.000 0.000 0.257 2550 A C 0.440 178.023 177.584 -0.000 0.000 1.089 2550 A CA 0.694 52.730 52.037 -0.000 0.000 0.794 2550 A CB 0.438 19.437 19.000 -0.002 0.000 1.029 2550 A HN 0.947 nan 8.150 nan 0.000 0.488 2551 G N -1.070 107.730 108.800 -0.001 0.000 2.325 2551 G HA2 0.481 4.442 3.960 0.000 0.000 0.295 2551 G HA3 0.481 4.442 3.960 0.000 0.000 0.295 2551 G C -1.620 173.278 174.900 -0.003 0.000 1.274 2551 G CA -0.092 45.007 45.100 -0.002 0.000 0.857 2551 G HN 1.165 nan 8.290 nan 0.000 0.499 2552 V N 0.371 120.281 119.914 -0.007 0.000 2.417 2552 V HA 0.628 4.748 4.120 0.000 0.000 0.291 2552 V C 0.331 176.418 176.094 -0.011 0.000 1.024 2552 V CA -0.752 61.541 62.300 -0.010 0.000 0.861 2552 V CB 1.245 33.057 31.823 -0.017 0.000 0.985 2552 V HN 1.013 nan 8.190 nan 0.000 0.436 2553 V N 5.148 125.059 119.914 -0.004 0.000 2.509 2553 V HA 0.912 5.032 4.120 0.000 0.000 0.284 2553 V C 0.199 176.297 176.094 0.007 0.000 1.047 2553 V CA 0.262 62.565 62.300 0.005 0.000 0.952 2553 V CB 1.138 32.969 31.823 0.013 0.000 0.988 2553 V HN 1.188 nan 8.190 nan 0.000 0.469 2554 A N 4.323 127.157 122.820 0.022 0.000 2.549 2554 A HA 0.789 5.109 4.320 0.000 0.000 0.297 2554 A C 0.538 178.189 177.584 0.112 0.000 1.061 2554 A CA -0.071 52.001 52.037 0.058 0.000 0.690 2554 A CB 1.569 20.564 19.000 -0.008 0.000 1.287 2554 A HN 2.430 nan 8.150 nan 0.000 0.402 2555 G N -0.066 108.856 108.800 0.204 0.000 2.132 2555 G HA2 -0.106 3.855 3.960 0.000 0.000 0.228 2555 G HA3 -0.106 3.855 3.960 0.000 0.000 0.228 2555 G C 0.479 175.413 174.900 0.057 0.000 1.000 2555 G CA 0.388 45.566 45.100 0.130 0.000 0.693 2555 G HN 0.991 nan 8.290 nan 0.000 0.515 2556 L N 0.854 122.112 121.223 0.058 0.000 2.141 2556 L HA 0.088 4.428 4.340 0.000 0.000 0.209 2556 L C 2.352 179.226 176.870 0.007 0.000 1.094 2556 L CA 2.248 57.104 54.840 0.027 0.000 0.763 2556 L CB -0.526 41.553 42.059 0.034 0.000 0.908 2556 L HN 0.285 nan 8.230 nan 0.000 0.437 2557 D N -0.945 119.455 120.400 -0.000 0.000 2.144 2557 D HA -0.120 4.520 4.640 0.000 0.000 0.199 2557 D C 2.307 178.582 176.300 -0.041 0.000 0.984 2557 D CA 1.010 54.995 54.000 -0.025 0.000 0.834 2557 D CB -0.023 40.738 40.800 -0.064 0.000 0.955 2557 D HN 0.169 nan 8.370 nan 0.000 0.465 2558 V N 1.292 121.177 119.914 -0.049 0.000 2.626 2558 V HA -0.176 3.944 4.120 0.000 0.000 0.252 2558 V C 2.456 178.520 176.094 -0.049 0.000 1.067 2558 V CA 1.480 63.747 62.300 -0.055 0.000 1.081 2558 V CB -0.703 31.092 31.823 -0.047 0.000 0.686 2558 V HN 0.161 nan 8.190 nan 0.000 0.468 2559 A N 0.064 122.857 122.820 -0.043 0.000 1.897 2559 A HA -0.072 4.249 4.320 0.000 0.000 0.215 2559 A C 2.068 179.587 177.584 -0.107 0.000 1.181 2559 A CA 1.294 53.292 52.037 -0.065 0.000 0.620 2559 A CB -0.418 18.550 19.000 -0.053 0.000 0.821 2559 A HN 0.378 nan 8.150 nan 0.000 0.443 2560 L N -0.097 121.079 121.223 -0.079 0.000 2.046 2560 L HA -0.105 4.235 4.340 0.000 0.000 0.208 2560 L C 2.461 179.301 176.870 -0.050 0.000 1.077 2560 L CA 1.368 56.161 54.840 -0.078 0.000 0.747 2560 L CB -1.542 40.546 42.059 0.047 0.000 0.896 2560 L HN 0.365 nan 8.230 nan 0.000 0.432 2561 L N -1.047 120.156 121.223 -0.033 0.000 2.131 2561 L HA -0.202 4.138 4.340 0.000 0.000 0.210 2561 L C 2.330 179.177 176.870 -0.038 0.000 1.092 2561 L CA 1.194 56.022 54.840 -0.022 0.000 0.759 2561 L CB -0.822 41.214 42.059 -0.038 0.000 0.903 2561 L HN 0.281 nan 8.230 nan 0.000 0.435 2562 T N -0.151 114.362 114.554 -0.069 0.000 2.821 2562 T HA -0.096 4.254 4.350 0.000 0.000 0.267 2562 T C 1.850 176.497 174.700 -0.088 0.000 1.046 2562 T CA 0.808 62.866 62.100 -0.070 0.000 1.139 2562 T CB -0.022 68.802 68.868 -0.073 0.000 0.871 2562 T HN 0.026 nan 8.240 nan 0.000 0.454 2563 L N 1.870 122.992 121.223 -0.169 0.000 2.072 2563 L HA 0.062 4.402 4.340 0.000 0.000 0.205 2563 L C 2.212 179.073 176.870 -0.015 0.000 1.079 2563 L CA 1.345 56.039 54.840 -0.243 0.000 0.752 2563 L CB -1.344 40.226 42.059 -0.816 0.000 0.906 2563 L HN 0.174 nan 8.230 nan 0.000 0.436 2564 N N -0.140 118.606 118.700 0.077 0.000 2.094 2564 N HA -0.233 4.508 4.740 0.000 0.000 0.191 2564 N C 1.876 177.430 175.510 0.073 0.000 1.023 2564 N CA 1.204 54.347 53.050 0.155 0.000 0.857 2564 N CB -0.112 38.444 38.487 0.115 0.000 1.013 2564 N HN 0.318 nan 8.380 nan 0.000 0.426 2565 E N 0.388 120.604 120.200 0.028 0.000 2.106 2565 E HA -0.032 4.318 4.350 0.000 0.000 0.192 2565 E C 1.763 178.371 176.600 0.012 0.000 0.984 2565 E CA 0.665 57.072 56.400 0.012 0.000 0.806 2565 E CB 0.017 29.714 29.700 -0.006 0.000 0.750 2565 E HN 0.112 nan 8.360 nan 0.000 0.458 2566 V N -0.136 119.782 119.914 0.007 0.000 2.426 2566 V HA -0.051 4.069 4.120 0.000 0.000 0.242 2566 V C 2.126 178.237 176.094 0.027 0.000 1.036 2566 V CA 1.207 63.511 62.300 0.007 0.000 1.044 2566 V CB -0.203 31.614 31.823 -0.010 0.000 0.688 2566 V HN 0.234 nan 8.190 nan 0.000 0.462 2567 L N -0.301 120.955 121.223 0.055 0.000 2.556 2567 L HA 0.529 4.869 4.340 0.000 0.000 0.226 2567 L C 1.019 177.950 176.870 0.102 0.000 1.089 2567 L CA 0.701 55.596 54.840 0.093 0.000 0.864 2567 L CB 0.020 42.175 42.059 0.159 0.000 1.067 2567 L HN 0.523 nan 8.230 nan 0.000 0.477 2568 G N -0.319 108.544 108.800 0.105 0.000 2.719 2568 G HA2 -0.219 3.741 3.960 0.000 0.000 0.686 2568 G HA3 -0.219 3.741 3.960 0.000 0.000 0.686 2568 G C 0.403 175.363 174.900 0.099 0.000 1.201 2568 G CA -0.292 44.854 45.100 0.076 0.000 0.768 2568 G HN -0.005 nan 8.290 nan 0.000 0.629 2569 T N 0.569 115.153 114.554 0.050 0.000 2.760 2569 T HA -0.172 4.178 4.350 0.000 0.000 0.269 2569 T C 1.549 176.141 174.700 -0.180 0.000 1.047 2569 T CA 1.879 63.977 62.100 -0.004 0.000 1.139 2569 T CB -0.150 68.707 68.868 -0.018 0.000 0.855 2569 T HN 0.597 nan 8.240 nan 0.000 0.471 2570 N N 0.464 119.079 118.700 -0.143 0.000 2.389 2570 N HA 0.227 4.968 4.740 0.000 0.000 0.260 2570 N C 1.220 176.634 175.510 -0.161 0.000 1.191 2570 N CA 0.034 52.959 53.050 -0.209 0.000 0.885 2570 N CB 0.824 39.240 38.487 -0.117 0.000 1.162 2570 N HN 0.439 nan 8.380 nan 0.000 0.512 2571 G N 0.037 108.778 108.800 -0.099 0.000 3.042 2571 G HA2 0.071 4.031 3.960 0.000 0.000 0.212 2571 G HA3 0.071 4.031 3.960 0.000 0.000 0.212 2571 G C 0.016 175.005 174.900 0.147 0.000 1.166 2571 G CA 0.380 45.520 45.100 0.066 0.000 0.767 2571 G HN 0.363 nan 8.290 nan 0.000 0.546 2572 Y N -2.591 117.708 120.300 -0.002 0.000 2.689 2572 Y HA 0.768 5.318 4.550 0.000 0.000 0.333 2572 Y C -0.916 174.983 175.900 -0.001 0.000 1.208 2572 Y CA -2.335 55.764 58.100 -0.001 0.000 1.055 2572 Y CB 1.046 39.505 38.460 -0.002 0.000 1.304 2572 Y HN -0.076 nan 8.280 nan 0.000 0.455 2573 R N 1.319 121.877 120.500 0.097 0.000 2.575 2573 R HA 0.750 5.091 4.340 0.000 0.000 0.293 2573 R C -2.197 174.186 176.300 0.138 0.000 0.983 2573 R CA -0.893 55.223 56.100 0.028 0.000 0.887 2573 R CB 2.169 32.472 30.300 0.006 0.000 1.184 2573 R HN 0.733 nan 8.270 nan 0.000 0.445 2574 V N 6.736 126.725 119.914 0.124 0.000 2.368 2574 V HA 0.117 4.238 4.120 0.000 0.000 0.266 2574 V C 0.743 176.874 176.094 0.063 0.000 1.045 2574 V CA -0.367 62.004 62.300 0.119 0.000 0.899 2574 V CB 1.193 33.090 31.823 0.123 0.000 1.006 2574 V HN 0.777 nan 8.190 nan 0.000 0.470 2575 L N 3.012 124.267 121.223 0.052 0.000 2.179 2575 L HA 0.274 4.614 4.340 0.000 0.000 0.208 2575 L C 0.694 177.581 176.870 0.029 0.000 1.096 2575 L CA 1.247 56.107 54.840 0.034 0.000 0.779 2575 L CB -0.539 41.537 42.059 0.029 0.000 0.922 2575 L HN 0.796 nan 8.230 nan 0.000 0.443 2576 D N -1.651 118.768 120.400 0.031 0.000 2.694 2576 D HA 0.529 5.169 4.640 0.000 0.000 0.260 2576 D C -1.055 175.262 176.300 0.027 0.000 1.250 2576 D CA -0.619 53.397 54.000 0.026 0.000 0.763 2576 D CB 1.384 42.196 40.800 0.020 0.000 1.311 2576 D HN 0.077 nan 8.370 nan 0.000 0.420 2577 R N 0.059 120.574 120.500 0.025 0.000 2.709 2577 R HA 0.701 5.041 4.340 0.000 0.000 0.270 2577 R C -1.891 174.423 176.300 0.022 0.000 1.038 2577 R CA -0.949 55.166 56.100 0.025 0.000 0.872 2577 R CB 0.576 30.895 30.300 0.030 0.000 1.259 2577 R HN 0.161 nan 8.270 nan 0.000 0.473 2578 V N 1.073 121.000 119.914 0.021 0.000 2.973 2578 V HA 0.358 4.478 4.120 0.000 0.000 0.314 2578 V C -0.180 175.929 176.094 0.025 0.000 1.066 2578 V CA -0.625 61.687 62.300 0.020 0.000 1.021 2578 V CB 1.861 33.694 31.823 0.017 0.000 1.076 2578 V HN 0.696 nan 8.190 nan 0.000 0.462 2579 E N 1.285 121.500 120.200 0.025 0.000 2.277 2579 E HA 0.296 4.646 4.350 0.000 0.000 0.274 2579 E C -0.918 175.703 176.600 0.035 0.000 1.022 2579 E CA -0.653 55.766 56.400 0.032 0.000 0.853 2579 E CB 0.962 30.679 29.700 0.029 0.000 1.086 2579 E HN 0.555 nan 8.360 nan 0.000 0.397 2580 D N 0.082 120.514 120.400 0.053 0.000 2.488 2580 D HA 0.261 4.901 4.640 0.000 0.000 0.238 2580 D C 1.173 177.485 176.300 0.020 0.000 1.138 2580 D CA 1.687 55.721 54.000 0.056 0.000 0.873 2580 D CB 0.562 41.438 40.800 0.127 0.000 1.183 2580 D HN 0.636 nan 8.370 nan 0.000 0.458 2581 G N 1.202 109.999 108.800 -0.006 0.000 2.213 2581 G HA2 -0.161 3.799 3.960 0.000 0.000 0.226 2581 G HA3 -0.161 3.799 3.960 0.000 0.000 0.226 2581 G C 0.489 175.383 174.900 -0.009 0.000 0.992 2581 G CA 0.133 45.220 45.100 -0.022 0.000 0.632 2581 G HN 0.857 nan 8.290 nan 0.000 0.511 2582 A N 1.211 124.032 122.820 0.001 0.000 2.511 2582 A HA 0.581 4.901 4.320 0.000 0.000 0.242 2582 A C 0.798 178.382 177.584 -0.000 0.000 1.069 2582 A CA 0.182 52.221 52.037 0.003 0.000 0.763 2582 A CB 0.221 19.226 19.000 0.008 0.000 1.001 2582 A HN 0.399 nan 8.150 nan 0.000 0.498 2583 R N 1.768 122.268 120.500 -0.000 0.000 2.265 2583 R HA 0.464 4.804 4.340 0.000 0.000 0.314 2583 R C -0.897 175.403 176.300 0.001 0.000 1.053 2583 R CA -0.335 55.764 56.100 -0.001 0.000 0.931 2583 R CB 0.825 31.124 30.300 -0.001 0.000 1.024 2583 R HN 0.398 nan 8.270 nan 0.000 0.457 2584 V N 5.488 125.403 119.914 0.001 0.000 2.735 2584 V HA 0.451 4.571 4.120 0.000 0.000 0.310 2584 V C -2.024 174.071 176.094 0.002 0.000 1.061 2584 V CA -1.968 60.333 62.300 0.002 0.000 0.913 2584 V CB 2.893 34.718 31.823 0.004 0.000 1.005 2584 V HN 0.677 nan 8.190 nan 0.000 0.428 2585 P HA 0.416 nan 4.420 nan 0.000 0.280 2585 P C -2.519 174.782 177.300 0.002 0.000 1.272 2585 P CA -1.786 61.315 63.100 0.001 0.000 0.819 2585 P CB 1.221 32.921 31.700 0.001 0.000 1.122 2586 P HA -0.202 nan 4.420 nan 0.000 0.207 2586 P C 1.327 178.629 177.300 0.003 0.000 1.115 2586 P CA 2.311 65.412 63.100 0.002 0.000 0.956 2586 P CB -0.698 31.003 31.700 0.001 0.000 0.774 2587 G N -0.880 107.921 108.800 0.003 0.000 3.340 2587 G HA2 -0.009 3.951 3.960 0.000 0.000 0.240 2587 G HA3 -0.009 3.951 3.960 0.000 0.000 0.240 2587 G C 0.049 174.952 174.900 0.004 0.000 1.327 2587 G CA -0.073 45.029 45.100 0.003 0.000 1.170 2587 G HN 0.199 nan 8.290 nan 0.000 0.520 2588 E N 1.003 121.206 120.200 0.004 0.000 2.344 2588 E HA 0.468 4.818 4.350 0.000 0.000 0.270 2588 E C 0.323 176.927 176.600 0.006 0.000 1.021 2588 E CA -0.262 56.141 56.400 0.005 0.000 0.887 2588 E CB 0.847 30.550 29.700 0.005 0.000 0.997 2588 E HN 0.152 nan 8.360 nan 0.000 0.429 2589 A N 6.006 128.830 122.820 0.007 0.000 2.343 2589 A HA 0.234 4.554 4.320 0.000 0.000 0.305 2589 A C 0.784 178.373 177.584 0.009 0.000 1.308 2589 A CA -0.348 51.694 52.037 0.007 0.000 0.949 2589 A CB -0.099 18.906 19.000 0.008 0.000 1.148 2589 A HN 0.854 nan 8.150 nan 0.000 0.545 2590 L N 1.781 123.009 121.223 0.009 0.000 2.179 2590 L HA 0.173 4.513 4.340 0.000 0.000 0.208 2590 L C 0.979 177.857 176.870 0.013 0.000 1.096 2590 L CA 0.814 55.660 54.840 0.011 0.000 0.779 2590 L CB -0.236 41.829 42.059 0.011 0.000 0.922 2590 L HN 0.780 nan 8.230 nan 0.000 0.443 2591 M N -0.818 118.789 119.600 0.011 0.000 2.373 2591 M HA 0.310 4.790 4.480 0.000 0.000 0.290 2591 M C -1.720 174.588 176.300 0.013 0.000 1.143 2591 M CA -0.144 55.164 55.300 0.014 0.000 0.949 2591 M CB 2.429 35.035 32.600 0.010 0.000 1.756 2591 M HN -0.282 nan 8.290 nan 0.000 0.494 2592 T N 5.508 120.074 114.554 0.020 0.000 2.824 2592 T HA 0.804 5.154 4.350 0.000 0.000 0.282 2592 T C -1.198 173.522 174.700 0.033 0.000 0.993 2592 T CA -0.589 61.523 62.100 0.021 0.000 0.967 2592 T CB 1.237 70.117 68.868 0.019 0.000 0.960 2592 T HN 0.560 nan 8.240 nan 0.000 0.441 2593 L N 0.275 121.518 121.223 0.034 0.000 2.409 2593 L HA 0.820 5.161 4.340 0.000 0.000 0.255 2593 L C -0.616 176.289 176.870 0.057 0.000 1.027 2593 L CA -1.092 53.785 54.840 0.061 0.000 0.834 2593 L CB 1.650 43.755 42.059 0.076 0.000 1.426 2593 L HN 0.531 nan 8.230 nan 0.000 0.411 2594 E N 0.338 120.587 120.200 0.082 0.000 2.199 2594 E HA 0.849 5.200 4.350 0.000 0.000 0.265 2594 E C -1.437 175.224 176.600 0.101 0.000 0.882 2594 E CA -0.652 55.788 56.400 0.067 0.000 0.759 2594 E CB 1.875 31.605 29.700 0.050 0.000 1.148 2594 E HN 1.031 nan 8.360 nan 0.000 0.412 2595 A N 3.788 126.656 122.820 0.080 0.000 2.586 2595 A HA 0.263 4.584 4.320 0.000 0.000 0.290 2595 A C -1.221 176.399 177.584 0.059 0.000 1.086 2595 A CA -0.754 51.344 52.037 0.102 0.000 0.665 2595 A CB 1.485 20.554 19.000 0.114 0.000 1.279 2595 A HN 0.631 nan 8.150 nan 0.000 0.423 2596 Q N 0.294 120.129 119.800 0.058 0.000 2.300 2596 Q HA 0.130 4.470 4.340 0.000 0.000 0.280 2596 Q C 0.508 176.523 176.000 0.025 0.000 1.033 2596 Q CA 0.881 56.706 55.803 0.036 0.000 0.903 2596 Q CB 0.518 29.278 28.738 0.036 0.000 1.195 2596 Q HN 0.779 nan 8.270 nan 0.000 0.386 2597 T N 4.553 119.118 114.554 0.018 0.000 2.720 2597 T HA -0.170 4.180 4.350 0.000 0.000 0.268 2597 T C 1.495 176.200 174.700 0.008 0.000 1.037 2597 T CA 1.492 63.598 62.100 0.011 0.000 1.144 2597 T CB -0.010 68.864 68.868 0.010 0.000 0.864 2597 T HN 0.592 nan 8.240 nan 0.000 0.444 2598 R N 0.407 120.912 120.500 0.009 0.000 2.096 2598 R HA -0.027 4.313 4.340 0.000 0.000 0.235 2598 R C 2.904 179.207 176.300 0.005 0.000 1.127 2598 R CA 1.263 57.367 56.100 0.007 0.000 0.968 2598 R CB -0.665 29.640 30.300 0.009 0.000 0.861 2598 R HN 0.463 nan 8.270 nan 0.000 0.440 2599 G N 1.035 109.840 108.800 0.008 0.000 2.404 2599 G HA2 -0.214 3.747 3.960 0.000 0.000 0.215 2599 G HA3 -0.214 3.747 3.960 0.000 0.000 0.215 2599 G C 1.444 176.337 174.900 -0.013 0.000 1.174 2599 G CA 0.323 45.425 45.100 0.003 0.000 0.780 2599 G HN 0.120 nan 8.290 nan 0.000 0.537 2600 L N -0.322 120.892 121.223 -0.014 0.000 2.046 2600 L HA -0.049 4.292 4.340 0.000 0.000 0.208 2600 L C 2.711 179.569 176.870 -0.021 0.000 1.077 2600 L CA 0.316 55.139 54.840 -0.028 0.000 0.747 2600 L CB -0.323 41.723 42.059 -0.021 0.000 0.896 2600 L HN 0.126 nan 8.230 nan 0.000 0.432 2601 L N -0.763 120.453 121.223 -0.011 0.000 2.201 2601 L HA -0.143 4.197 4.340 0.000 0.000 0.212 2601 L C 2.504 179.370 176.870 -0.007 0.000 1.105 2601 L CA 1.753 56.589 54.840 -0.007 0.000 0.775 2601 L CB -1.194 40.864 42.059 -0.002 0.000 0.913 2601 L HN 0.204 nan 8.230 nan 0.000 0.440 2602 T N -0.897 113.653 114.554 -0.007 0.000 2.851 2602 T HA -0.035 4.315 4.350 0.000 0.000 0.262 2602 T C 1.923 176.616 174.700 -0.011 0.000 1.043 2602 T CA 1.091 63.188 62.100 -0.005 0.000 1.140 2602 T CB -0.130 68.737 68.868 -0.002 0.000 0.872 2602 T HN 0.366 nan 8.240 nan 0.000 0.446 2603 A N 1.290 124.096 122.820 -0.023 0.000 1.968 2603 A HA -0.046 4.274 4.320 0.000 0.000 0.217 2603 A C 2.076 179.640 177.584 -0.033 0.000 1.169 2603 A CA 1.655 53.671 52.037 -0.035 0.000 0.638 2603 A CB -0.585 18.379 19.000 -0.059 0.000 0.812 2603 A HN 0.610 nan 8.150 nan 0.000 0.446 2604 E N -0.201 119.982 120.200 -0.028 0.000 2.110 2604 E HA -0.373 3.977 4.350 0.000 0.000 0.225 2604 E C 2.205 178.795 176.600 -0.017 0.000 1.063 2604 E CA 2.138 58.524 56.400 -0.023 0.000 0.906 2604 E CB -0.168 29.523 29.700 -0.016 0.000 0.795 2604 E HN 0.408 nan 8.360 nan 0.000 0.479 2605 R N 0.061 120.554 120.500 -0.011 0.000 2.096 2605 R HA -0.060 4.280 4.340 0.000 0.000 0.235 2605 R C 2.237 178.531 176.300 -0.009 0.000 1.127 2605 R CA 2.219 58.315 56.100 -0.007 0.000 0.968 2605 R CB -0.965 29.333 30.300 -0.003 0.000 0.861 2605 R HN 0.237 nan 8.270 nan 0.000 0.440 2606 T N 0.748 115.294 114.554 -0.013 0.000 2.777 2606 T HA -0.114 4.237 4.350 0.000 0.000 0.266 2606 T C 1.700 176.387 174.700 -0.021 0.000 1.040 2606 T CA 1.548 63.637 62.100 -0.018 0.000 1.141 2606 T CB -0.203 68.653 68.868 -0.021 0.000 0.868 2606 T HN 0.332 nan 8.240 nan 0.000 0.444 2607 M N 0.477 120.062 119.600 -0.026 0.000 2.067 2607 M HA -0.073 4.407 4.480 0.000 0.000 0.260 2607 M C 1.868 178.159 176.300 -0.015 0.000 1.069 2607 M CA 1.592 56.874 55.300 -0.030 0.000 1.117 2607 M CB -0.240 32.333 32.600 -0.046 0.000 1.334 2607 M HN 0.108 nan 8.290 nan 0.000 0.407 2608 L N 1.503 122.720 121.223 -0.010 0.000 2.046 2608 L HA -0.215 4.125 4.340 0.000 0.000 0.208 2608 L C 2.203 179.081 176.870 0.014 0.000 1.077 2608 L CA 1.728 56.569 54.840 0.001 0.000 0.747 2608 L CB -1.695 40.363 42.059 -0.000 0.000 0.896 2608 L HN 0.409 nan 8.230 nan 0.000 0.432 2609 N N -0.807 117.898 118.700 0.009 0.000 2.104 2609 N HA -0.173 4.567 4.740 0.000 0.000 0.190 2609 N C 1.776 177.305 175.510 0.032 0.000 1.024 2609 N CA 0.964 54.023 53.050 0.015 0.000 0.853 2609 N CB -0.350 38.133 38.487 -0.007 0.000 1.008 2609 N HN 0.136 nan 8.380 nan 0.000 0.424 2610 L N 0.898 122.132 121.223 0.020 0.000 2.044 2610 L HA -0.025 4.315 4.340 0.000 0.000 0.205 2610 L C 2.333 179.247 176.870 0.074 0.000 1.075 2610 L CA 1.116 55.979 54.840 0.037 0.000 0.747 2610 L CB -1.142 40.919 42.059 0.004 0.000 0.903 2610 L HN 0.122 nan 8.230 nan 0.000 0.435 2611 V N -2.230 117.711 119.914 0.046 0.000 2.667 2611 V HA 0.023 4.143 4.120 0.000 0.000 0.252 2611 V C 2.207 178.333 176.094 0.054 0.000 1.065 2611 V CA 1.537 63.866 62.300 0.049 0.000 1.083 2611 V CB -1.254 30.586 31.823 0.028 0.000 0.692 2611 V HN 0.358 nan 8.190 nan 0.000 0.468 2612 G N -0.631 108.203 108.800 0.058 0.000 2.408 2612 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 2612 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 2612 G C 1.421 176.368 174.900 0.079 0.000 1.150 2612 G CA 1.101 46.234 45.100 0.055 0.000 0.776 2612 G HN 0.726 nan 8.290 nan 0.000 0.542 2613 H N 0.523 119.598 119.070 0.008 0.000 2.299 2613 H HA 0.119 4.675 4.556 0.000 0.000 0.302 2613 H C 2.552 177.887 175.328 0.012 0.000 1.078 2613 H CA 1.353 57.407 56.048 0.010 0.000 1.323 2613 H CB -0.262 29.505 29.762 0.008 0.000 1.381 2613 H HN 0.226 nan 8.280 nan 0.000 0.498 2614 L N -0.564 120.703 121.223 0.074 0.000 2.083 2614 L HA -0.165 4.175 4.340 0.000 0.000 0.209 2614 L C 2.523 179.370 176.870 -0.037 0.000 1.083 2614 L CA 1.414 56.261 54.840 0.011 0.000 0.752 2614 L CB -0.491 41.629 42.059 0.101 0.000 0.899 2614 L HN 0.271 nan 8.230 nan 0.000 0.433 2615 S N 0.128 115.821 115.700 -0.012 0.000 2.383 2615 S HA -0.082 4.389 4.470 0.000 0.000 0.227 2615 S C 2.083 176.657 174.600 -0.045 0.000 1.026 2615 S CA 1.026 59.215 58.200 -0.020 0.000 0.981 2615 S CB -0.481 62.719 63.200 0.001 0.000 0.818 2615 S HN 0.599 nan 8.310 nan 0.000 0.472 2616 G N 2.052 110.814 108.800 -0.063 0.000 2.476 2616 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 2616 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 2616 G C 1.325 176.163 174.900 -0.102 0.000 1.164 2616 G CA 0.870 45.923 45.100 -0.077 0.000 0.768 2616 G HN 0.488 nan 8.290 nan 0.000 0.560 2617 I N 1.307 121.775 120.570 -0.169 0.000 2.179 2617 I HA -0.163 4.007 4.170 0.000 0.000 0.242 2617 I C 3.318 179.379 176.117 -0.093 0.000 1.088 2617 I CA 1.009 62.217 61.300 -0.153 0.000 1.357 2617 I CB -0.278 37.606 38.000 -0.193 0.000 1.051 2617 I HN 0.251 nan 8.210 nan 0.000 0.409 2618 A N 0.290 123.057 122.820 -0.088 0.000 1.902 2618 A HA -0.206 4.114 4.320 0.000 0.000 0.217 2618 A C 2.378 179.940 177.584 -0.036 0.000 1.181 2618 A CA 2.461 54.454 52.037 -0.074 0.000 0.623 2618 A CB -1.082 17.868 19.000 -0.082 0.000 0.818 2618 A HN 0.392 nan 8.150 nan 0.000 0.443 2619 T N 0.162 114.700 114.554 -0.026 0.000 2.708 2619 T HA -0.004 4.346 4.350 0.000 0.000 0.266 2619 T C 2.226 176.941 174.700 0.026 0.000 1.037 2619 T CA 1.600 63.698 62.100 -0.003 0.000 1.146 2619 T CB -0.412 68.453 68.868 -0.006 0.000 0.865 2619 T HN 0.594 nan 8.240 nan 0.000 0.435 2620 A N 1.303 124.145 122.820 0.036 0.000 1.930 2620 A HA -0.090 4.230 4.320 0.000 0.000 0.217 2620 A C 2.591 180.300 177.584 0.208 0.000 1.175 2620 A CA 2.172 54.278 52.037 0.115 0.000 0.627 2620 A CB -1.173 17.882 19.000 0.092 0.000 0.815 2620 A HN 0.568 nan 8.150 nan 0.000 0.443 2621 T N -1.795 112.813 114.554 0.090 0.000 2.951 2621 T HA 0.127 4.478 4.350 0.000 0.000 0.268 2621 T C 1.844 176.619 174.700 0.126 0.000 1.073 2621 T CA 1.629 63.781 62.100 0.087 0.000 1.134 2621 T CB -0.391 68.457 68.868 -0.034 0.000 0.884 2621 T HN 0.496 nan 8.240 nan 0.000 0.479 2622 A N 1.185 124.050 122.820 0.076 0.000 1.969 2622 A HA 0.404 4.724 4.320 0.000 0.000 0.218 2622 A C 2.793 180.422 177.584 0.075 0.000 1.169 2622 A CA 1.655 53.726 52.037 0.056 0.000 0.635 2622 A CB -1.284 17.728 19.000 0.021 0.000 0.810 2622 A HN 0.770 nan 8.150 nan 0.000 0.445 2623 A N -1.374 121.499 122.820 0.088 0.000 1.930 2623 A HA -0.111 4.209 4.320 0.000 0.000 0.217 2623 A C 1.931 179.521 177.584 0.010 0.000 1.175 2623 A CA 1.300 53.348 52.037 0.018 0.000 0.627 2623 A CB -0.793 18.187 19.000 -0.033 0.000 0.815 2623 A HN 0.721 nan 8.150 nan 0.000 0.443 2624 W N -0.350 120.937 121.300 -0.022 0.000 2.381 2624 W HA -0.077 4.584 4.660 0.000 0.000 0.301 2624 W C 2.301 178.813 176.519 -0.012 0.000 1.205 2624 W CA 1.350 58.685 57.345 -0.017 0.000 1.285 2624 W CB -0.545 28.900 29.460 -0.026 0.000 1.133 2624 W HN 0.112 nan 8.180 nan 0.000 0.521 2625 V N 0.451 120.500 119.914 0.226 0.000 2.343 2625 V HA -0.307 3.813 4.120 0.000 0.000 0.247 2625 V C 1.750 177.889 176.094 0.074 0.000 1.051 2625 V CA 2.212 64.587 62.300 0.124 0.000 1.036 2625 V CB -0.836 31.034 31.823 0.079 0.000 0.654 2625 V HN 0.046 nan 8.190 nan 0.000 0.451 2626 D N 0.438 120.867 120.400 0.050 0.000 2.117 2626 D HA -0.107 4.533 4.640 0.000 0.000 0.197 2626 D C 2.232 178.532 176.300 0.001 0.000 0.987 2626 D CA 1.571 55.579 54.000 0.014 0.000 0.829 2626 D CB -0.420 40.377 40.800 -0.006 0.000 0.961 2626 D HN 0.427 nan 8.370 nan 0.000 0.460 2627 A N 0.526 123.337 122.820 -0.016 0.000 1.940 2627 A HA -0.143 4.177 4.320 0.000 0.000 0.219 2627 A C 2.132 179.719 177.584 0.005 0.000 1.176 2627 A CA 1.900 53.910 52.037 -0.045 0.000 0.631 2627 A CB -0.527 18.386 19.000 -0.145 0.000 0.814 2627 A HN 0.268 nan 8.150 nan 0.000 0.446 2628 V N -1.264 118.680 119.914 0.051 0.000 3.444 2628 V HA 0.221 4.341 4.120 0.000 0.000 0.308 2628 V C 0.631 176.747 176.094 0.036 0.000 1.371 2628 V CA 0.005 62.340 62.300 0.058 0.000 1.141 2628 V CB -1.435 30.446 31.823 0.097 0.000 1.037 2628 V HN 0.624 nan 8.190 nan 0.000 0.433 2629 R N 0.440 120.955 120.500 0.025 0.000 2.643 2629 R HA 0.562 4.903 4.340 0.000 0.000 0.270 2629 R C 1.008 177.313 176.300 0.009 0.000 1.061 2629 R CA 0.441 56.550 56.100 0.016 0.000 1.107 2629 R CB 0.195 30.502 30.300 0.012 0.000 0.999 2629 R HN 0.847 nan 8.270 nan 0.000 0.460 2630 G N 0.507 109.311 108.800 0.005 0.000 2.141 2630 G HA2 -0.246 3.714 3.960 0.000 0.000 0.242 2630 G HA3 -0.246 3.714 3.960 0.000 0.000 0.242 2630 G C -0.097 174.804 174.900 0.001 0.000 0.982 2630 G CA 0.362 45.463 45.100 0.002 0.000 0.662 2630 G HN 0.784 nan 8.290 nan 0.000 0.527 2631 T N -0.885 113.671 114.554 0.002 0.000 2.906 2631 T HA 0.557 4.907 4.350 0.000 0.000 0.295 2631 T C 1.321 176.014 174.700 -0.012 0.000 1.075 2631 T CA -0.025 62.075 62.100 -0.001 0.000 1.005 2631 T CB 1.479 70.354 68.868 0.012 0.000 1.136 2631 T HN 0.365 nan 8.240 nan 0.000 0.498 2632 K N 0.844 121.227 120.400 -0.029 0.000 2.400 2632 K HA 0.422 4.742 4.320 0.000 0.000 0.194 2632 K C 0.831 177.383 176.600 -0.081 0.000 1.033 2632 K CA -0.053 56.202 56.287 -0.052 0.000 1.021 2632 K CB 0.177 32.639 32.500 -0.065 0.000 0.808 2632 K HN 0.464 nan 8.250 nan 0.000 0.505 2633 A N 2.015 124.796 122.820 -0.065 0.000 2.531 2633 A HA 0.134 4.454 4.320 0.000 0.000 0.236 2633 A C -0.739 176.824 177.584 -0.034 0.000 1.062 2633 A CA 0.069 52.060 52.037 -0.077 0.000 0.760 2633 A CB 0.115 19.108 19.000 -0.011 0.000 0.995 2633 A HN 0.364 nan 8.150 nan 0.000 0.501 2634 K N 1.606 121.986 120.400 -0.033 0.000 2.207 2634 K HA 0.536 4.856 4.320 0.000 0.000 0.255 2634 K C -0.628 176.053 176.600 0.136 0.000 0.941 2634 K CA -0.536 55.798 56.287 0.078 0.000 0.825 2634 K CB 1.645 34.235 32.500 0.150 0.000 1.119 2634 K HN 0.521 nan 8.250 nan 0.000 0.430 2635 I N 3.232 123.850 120.570 0.081 0.000 2.395 2635 I HA 0.267 4.437 4.170 0.000 0.000 0.289 2635 I C 0.267 176.368 176.117 -0.027 0.000 1.023 2635 I CA -0.151 61.158 61.300 0.015 0.000 1.350 2635 I CB 0.593 38.593 38.000 0.001 0.000 1.409 2635 I HN 0.475 nan 8.210 nan 0.000 0.507 2636 R N 3.842 124.285 120.500 -0.095 0.000 2.807 2636 R HA 0.407 4.747 4.340 0.000 0.000 0.276 2636 R C -0.854 175.350 176.300 -0.160 0.000 0.979 2636 R CA -0.858 55.161 56.100 -0.134 0.000 0.928 2636 R CB 2.307 32.469 30.300 -0.230 0.000 1.191 2636 R HN 0.595 nan 8.270 nan 0.000 0.471 2637 D N -0.209 120.125 120.400 -0.110 0.000 2.529 2637 D HA 0.361 5.001 4.640 0.000 0.000 0.273 2637 D C 0.255 176.532 176.300 -0.037 0.000 1.197 2637 D CA -0.352 53.586 54.000 -0.103 0.000 1.070 2637 D CB 0.589 41.341 40.800 -0.080 0.000 1.134 2637 D HN 0.516 nan 8.370 nan 0.000 0.590 2638 T N -4.571 109.961 114.554 -0.036 0.000 2.742 2638 T HA 0.475 4.825 4.350 0.000 0.000 0.282 2638 T C 0.444 175.142 174.700 -0.002 0.000 1.025 2638 T CA -1.039 61.061 62.100 -0.000 0.000 1.020 2638 T CB 1.312 70.177 68.868 -0.005 0.000 1.317 2638 T HN 0.300 nan 8.240 nan 0.000 0.538 2639 R N 0.093 120.592 120.500 -0.002 0.000 2.356 2639 R HA 0.178 4.518 4.340 0.000 0.000 0.234 2639 R C 0.191 176.508 176.300 0.028 0.000 0.929 2639 R CA -0.058 56.044 56.100 0.003 0.000 1.084 2639 R CB 0.061 30.352 30.300 -0.015 0.000 1.105 2639 R HN 0.439 nan 8.270 nan 0.000 0.515 2640 K N 2.108 122.535 120.400 0.045 0.000 2.278 2640 K HA 0.037 4.357 4.320 0.000 0.000 0.237 2640 K C 0.037 176.692 176.600 0.091 0.000 1.229 2640 K CA 0.164 56.503 56.287 0.087 0.000 1.155 2640 K CB 0.302 32.910 32.500 0.179 0.000 1.590 2640 K HN 0.098 nan 8.250 nan 0.000 0.290 2641 T N -2.109 112.486 114.554 0.068 0.000 2.940 2641 T HA 0.421 4.771 4.350 0.000 0.000 0.288 2641 T C -0.220 174.520 174.700 0.067 0.000 1.045 2641 T CA -1.136 61.006 62.100 0.071 0.000 1.018 2641 T CB 1.234 70.138 68.868 0.059 0.000 1.151 2641 T HN -0.052 nan 8.240 nan 0.000 0.529 2642 L N 2.859 124.123 121.223 0.068 0.000 2.305 2642 L HA 0.428 4.768 4.340 0.000 0.000 0.281 2642 L C -1.999 174.888 176.870 0.029 0.000 1.085 2642 L CA -2.539 52.327 54.840 0.042 0.000 0.813 2642 L CB 0.416 42.489 42.059 0.024 0.000 1.157 2642 L HN 0.573 nan 8.230 nan 0.000 0.436 2643 P HA 0.069 nan 4.420 nan 0.000 0.258 2643 P C 0.799 178.107 177.300 0.014 0.000 1.187 2643 P CA 0.819 63.933 63.100 0.023 0.000 0.767 2643 P CB 0.533 32.243 31.700 0.017 0.000 0.770 2644 G N 3.054 111.869 108.800 0.025 0.000 2.213 2644 G HA2 -0.255 3.705 3.960 0.000 0.000 0.236 2644 G HA3 -0.255 3.705 3.960 0.000 0.000 0.236 2644 G C 0.461 175.348 174.900 -0.022 0.000 0.991 2644 G CA 0.051 45.155 45.100 0.007 0.000 0.629 2644 G HN 0.498 nan 8.290 nan 0.000 0.517 2645 L N 0.295 121.512 121.223 -0.010 0.000 2.959 2645 L HA 0.396 4.736 4.340 0.000 0.000 0.259 2645 L C 2.213 179.086 176.870 0.005 0.000 1.185 2645 L CA 0.183 55.012 54.840 -0.019 0.000 0.998 2645 L CB 0.241 42.293 42.059 -0.012 0.000 1.337 2645 L HN 0.252 nan 8.230 nan 0.000 0.555 2646 R N 1.544 122.058 120.500 0.023 0.000 2.080 2646 R HA -0.200 4.140 4.340 0.000 0.000 0.236 2646 R C 2.314 178.633 176.300 0.033 0.000 1.137 2646 R CA 1.953 58.086 56.100 0.056 0.000 0.943 2646 R CB -0.144 30.225 30.300 0.116 0.000 0.846 2646 R HN 0.351 nan 8.270 nan 0.000 0.431 2647 A N 0.965 123.745 122.820 -0.067 0.000 1.940 2647 A HA -0.142 4.178 4.320 0.000 0.000 0.219 2647 A C 2.237 179.764 177.584 -0.095 0.000 1.176 2647 A CA 1.411 53.337 52.037 -0.185 0.000 0.631 2647 A CB -0.536 17.953 19.000 -0.852 0.000 0.814 2647 A HN 0.383 nan 8.150 nan 0.000 0.446 2648 L N -1.169 120.000 121.223 -0.092 0.000 2.072 2648 L HA -0.210 4.130 4.340 0.000 0.000 0.205 2648 L C 2.911 179.849 176.870 0.113 0.000 1.079 2648 L CA 1.440 56.290 54.840 0.017 0.000 0.752 2648 L CB -0.679 41.372 42.059 -0.013 0.000 0.906 2648 L HN 0.487 nan 8.230 nan 0.000 0.436 2649 Q N -0.070 119.777 119.800 0.079 0.000 2.084 2649 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 2649 Q C 2.201 178.222 176.000 0.035 0.000 0.978 2649 Q CA 1.359 57.201 55.803 0.066 0.000 0.844 2649 Q CB -0.011 28.771 28.738 0.074 0.000 0.898 2649 Q HN 0.209 nan 8.270 nan 0.000 0.426 2650 K N 0.224 120.657 120.400 0.055 0.000 2.057 2650 K HA -0.173 4.147 4.320 0.000 0.000 0.207 2650 K C 1.753 178.382 176.600 0.049 0.000 1.049 2650 K CA 1.081 57.397 56.287 0.048 0.000 0.931 2650 K CB -0.463 32.088 32.500 0.085 0.000 0.714 2650 K HN 0.242 nan 8.250 nan 0.000 0.440 2651 Y N 0.452 120.740 120.300 -0.021 0.000 2.128 2651 Y HA -0.206 4.344 4.550 0.000 0.000 0.284 2651 Y C 1.873 177.760 175.900 -0.021 0.000 1.154 2651 Y CA 1.714 59.800 58.100 -0.022 0.000 1.149 2651 Y CB -0.632 37.801 38.460 -0.044 0.000 0.976 2651 Y HN 0.046 nan 8.280 nan 0.000 0.505 2652 A N 0.014 122.714 122.820 -0.201 0.000 1.969 2652 A HA -0.121 4.199 4.320 0.000 0.000 0.218 2652 A C 2.377 179.828 177.584 -0.221 0.000 1.169 2652 A CA 2.041 53.925 52.037 -0.256 0.000 0.635 2652 A CB -1.571 17.384 19.000 -0.075 0.000 0.810 2652 A HN 0.658 nan 8.150 nan 0.000 0.445 2653 V N -1.658 118.164 119.914 -0.153 0.000 2.548 2653 V HA -0.098 4.022 4.120 0.000 0.000 0.249 2653 V C 2.157 178.171 176.094 -0.132 0.000 1.055 2653 V CA 2.058 64.282 62.300 -0.126 0.000 1.065 2653 V CB -0.769 30.991 31.823 -0.104 0.000 0.681 2653 V HN 0.526 nan 8.190 nan 0.000 0.462 2654 R N 0.139 120.543 120.500 -0.161 0.000 2.075 2654 R HA -0.107 4.234 4.340 0.000 0.000 0.232 2654 R C 2.399 178.592 176.300 -0.180 0.000 1.126 2654 R CA 2.063 58.079 56.100 -0.140 0.000 0.963 2654 R CB -0.656 29.569 30.300 -0.125 0.000 0.858 2654 R HN 0.629 nan 8.270 nan 0.000 0.435 2655 T N -0.788 113.577 114.554 -0.315 0.000 2.881 2655 T HA -0.101 4.249 4.350 0.000 0.000 0.270 2655 T C 1.508 176.120 174.700 -0.146 0.000 1.068 2655 T CA 1.336 63.270 62.100 -0.275 0.000 1.131 2655 T CB -0.167 68.443 68.868 -0.430 0.000 0.871 2655 T HN 0.492 nan 8.240 nan 0.000 0.479 2656 G N -0.235 108.490 108.800 -0.125 0.000 2.880 2656 G HA2 0.387 4.347 3.960 0.000 0.000 0.209 2656 G HA3 0.387 4.347 3.960 0.000 0.000 0.209 2656 G C 1.106 175.984 174.900 -0.036 0.000 1.157 2656 G CA 0.400 45.460 45.100 -0.066 0.000 0.779 2656 G HN 0.737 nan 8.290 nan 0.000 0.539 2657 G N -1.566 107.207 108.800 -0.045 0.000 2.192 2657 G HA2 0.041 4.001 3.960 0.000 0.000 0.193 2657 G HA3 0.041 4.001 3.960 0.000 0.000 0.193 2657 G C 0.680 175.574 174.900 -0.010 0.000 0.999 2657 G CA 0.124 45.213 45.100 -0.018 0.000 0.659 2657 G HN 0.930 nan 8.290 nan 0.000 0.503 2658 G N -0.971 107.811 108.800 -0.030 0.000 2.557 2658 G HA2 0.735 4.695 3.960 0.000 0.000 0.292 2658 G HA3 0.735 4.695 3.960 0.000 0.000 0.292 2658 G C 0.022 174.907 174.900 -0.024 0.000 1.237 2658 G CA 0.153 45.236 45.100 -0.029 0.000 0.978 2658 G HN 1.574 nan 8.290 nan 0.000 0.498 2659 V N -0.692 119.209 119.914 -0.021 0.000 2.656 2659 V HA 0.555 4.675 4.120 0.000 0.000 0.307 2659 V C -0.859 175.217 176.094 -0.031 0.000 1.051 2659 V CA -1.406 60.886 62.300 -0.014 0.000 0.893 2659 V CB 1.753 33.586 31.823 0.016 0.000 0.999 2659 V HN 0.574 nan 8.190 nan 0.000 0.426 2660 N N 3.802 122.498 118.700 -0.008 0.000 2.513 2660 N HA 0.303 5.043 4.740 0.000 0.000 0.268 2660 N C -0.049 175.486 175.510 0.042 0.000 1.180 2660 N CA 0.030 53.089 53.050 0.015 0.000 0.948 2660 N CB 0.731 39.240 38.487 0.037 0.000 1.083 2660 N HN 1.026 nan 8.380 nan 0.000 0.455 2661 H N 1.686 120.702 119.070 -0.089 0.000 3.979 2661 H HA 0.323 4.879 4.556 0.000 0.000 0.141 2661 H C 0.035 175.320 175.328 -0.071 0.000 1.545 2661 H CA -0.589 55.389 56.048 -0.117 0.000 1.404 2661 H CB 0.843 30.517 29.762 -0.147 0.000 0.943 2661 H HN 0.270 nan 8.280 nan 0.000 0.596 2662 R N 1.392 121.635 120.500 -0.429 0.000 2.491 2662 R HA 0.061 4.401 4.340 0.000 0.000 0.283 2662 R C 0.863 177.087 176.300 -0.127 0.000 1.072 2662 R CA -0.025 55.878 56.100 -0.328 0.000 1.048 2662 R CB 0.790 30.830 30.300 -0.434 0.000 0.983 2662 R HN 0.525 nan 8.270 nan 0.000 0.450 2663 L N 1.197 122.378 121.223 -0.071 0.000 2.529 2663 L HA 0.209 4.549 4.340 0.000 0.000 0.223 2663 L C 1.123 177.986 176.870 -0.012 0.000 1.113 2663 L CA 0.222 55.061 54.840 -0.002 0.000 0.861 2663 L CB 0.307 42.381 42.059 0.026 0.000 1.012 2663 L HN 0.823 nan 8.230 nan 0.000 0.461 2664 G N -1.935 106.832 108.800 -0.056 0.000 2.489 2664 G HA2 0.260 4.220 3.960 0.000 0.000 0.305 2664 G HA3 0.260 4.220 3.960 0.000 0.000 0.305 2664 G C -0.514 174.345 174.900 -0.067 0.000 1.311 2664 G CA -0.670 44.400 45.100 -0.049 0.000 0.813 2664 G HN -0.328 nan 8.290 nan 0.000 0.480 2665 L N 0.806 121.997 121.223 -0.052 0.000 2.141 2665 L HA 0.187 4.527 4.340 0.000 0.000 0.209 2665 L C 2.651 179.484 176.870 -0.062 0.000 1.094 2665 L CA 2.599 57.410 54.840 -0.049 0.000 0.763 2665 L CB -0.742 41.298 42.059 -0.030 0.000 0.908 2665 L HN 0.754 nan 8.230 nan 0.000 0.437 2666 G N -2.511 106.249 108.800 -0.066 0.000 3.126 2666 G HA2 -0.111 3.849 3.960 0.000 0.000 0.224 2666 G HA3 -0.111 3.849 3.960 0.000 0.000 0.224 2666 G C 1.165 176.021 174.900 -0.074 0.000 1.142 2666 G CA 0.310 45.369 45.100 -0.068 0.000 0.759 2666 G HN 0.305 nan 8.290 nan 0.000 0.550 2667 D N 0.833 121.184 120.400 -0.082 0.000 2.116 2667 D HA 0.127 4.767 4.640 0.000 0.000 0.193 2667 D C 1.231 177.485 176.300 -0.077 0.000 0.998 2667 D CA 1.685 55.635 54.000 -0.084 0.000 0.836 2667 D CB 0.096 40.836 40.800 -0.099 0.000 0.951 2667 D HN 0.376 nan 8.370 nan 0.000 0.449 2668 A N -1.566 121.201 122.820 -0.088 0.000 2.612 2668 A HA 0.730 5.051 4.320 0.000 0.000 0.293 2668 A C -1.355 176.183 177.584 -0.078 0.000 1.075 2668 A CA -0.262 51.731 52.037 -0.074 0.000 0.680 2668 A CB 1.333 20.288 19.000 -0.074 0.000 1.279 2668 A HN 0.185 nan 8.150 nan 0.000 0.411 2669 A N 1.081 123.863 122.820 -0.064 0.000 2.328 2669 A HA 0.620 4.940 4.320 0.000 0.000 0.284 2669 A C -0.502 177.045 177.584 -0.062 0.000 1.160 2669 A CA -0.255 51.736 52.037 -0.078 0.000 0.818 2669 A CB 0.321 19.276 19.000 -0.075 0.000 1.087 2669 A HN 1.539 nan 8.150 nan 0.000 0.504 2670 L N 5.013 126.194 121.223 -0.070 0.000 2.415 2670 L HA 0.483 4.823 4.340 0.000 0.000 0.268 2670 L C -1.299 175.578 176.870 0.013 0.000 0.984 2670 L CA -0.375 54.453 54.840 -0.019 0.000 0.853 2670 L CB 0.830 42.882 42.059 -0.012 0.000 1.215 2670 L HN 0.685 nan 8.230 nan 0.000 0.419 2671 I N 5.392 125.981 120.570 0.032 0.000 2.396 2671 I HA 0.209 4.379 4.170 0.000 0.000 0.289 2671 I C 0.398 176.635 176.117 0.199 0.000 1.056 2671 I CA 0.194 61.572 61.300 0.129 0.000 1.365 2671 I CB 0.776 38.809 38.000 0.056 0.000 1.407 2671 I HN 0.517 nan 8.210 nan 0.000 0.509 2672 K N 4.489 125.089 120.400 0.333 0.000 2.312 2672 K HA 0.300 4.621 4.320 0.000 0.000 0.236 2672 K C 0.662 177.273 176.600 0.018 0.000 1.079 2672 K CA -0.804 55.542 56.287 0.099 0.000 0.900 2672 K CB 0.890 33.395 32.500 0.008 0.000 1.297 2672 K HN 0.560 nan 8.250 nan 0.000 0.498 2673 D N 0.914 121.298 120.400 -0.028 0.000 2.126 2673 D HA -0.281 4.359 4.640 0.000 0.000 0.190 2673 D C 0.842 177.094 176.300 -0.080 0.000 1.001 2673 D CA 1.694 55.673 54.000 -0.035 0.000 0.841 2673 D CB -0.482 40.300 40.800 -0.031 0.000 0.949 2673 D HN 0.393 nan 8.370 nan 0.000 0.446 2674 N N 0.912 119.497 118.700 -0.191 0.000 2.104 2674 N HA -0.164 4.576 4.740 0.000 0.000 0.190 2674 N C 1.849 177.242 175.510 -0.195 0.000 1.024 2674 N CA 1.233 54.142 53.050 -0.236 0.000 0.853 2674 N CB -0.566 37.705 38.487 -0.360 0.000 1.008 2674 N HN 0.520 nan 8.380 nan 0.000 0.424 2675 H N 0.649 119.720 119.070 0.001 0.000 2.363 2675 H HA 0.059 4.615 4.556 0.000 0.000 0.301 2675 H C 2.439 177.769 175.328 0.003 0.000 1.074 2675 H CA 0.534 56.582 56.048 0.000 0.000 1.354 2675 H CB -0.530 29.231 29.762 -0.002 0.000 1.397 2675 H HN -0.021 nan 8.280 nan 0.000 0.516 2676 V N 1.607 121.588 119.914 0.111 0.000 2.287 2676 V HA -0.287 3.833 4.120 0.000 0.000 0.248 2676 V C 2.872 178.991 176.094 0.042 0.000 1.053 2676 V CA 1.754 64.094 62.300 0.066 0.000 1.027 2676 V CB -1.108 30.744 31.823 0.048 0.000 0.646 2676 V HN 0.480 nan 8.190 nan 0.000 0.447 2677 A N 0.059 122.894 122.820 0.025 0.000 1.851 2677 A HA -0.160 4.160 4.320 0.000 0.000 0.216 2677 A C 2.460 180.056 177.584 0.020 0.000 1.195 2677 A CA 2.381 54.427 52.037 0.014 0.000 0.622 2677 A CB -1.043 17.957 19.000 -0.001 0.000 0.831 2677 A HN 0.604 nan 8.150 nan 0.000 0.444 2678 A N -0.358 122.477 122.820 0.025 0.000 1.940 2678 A HA 0.110 4.431 4.320 0.000 0.000 0.219 2678 A C 2.471 180.074 177.584 0.033 0.000 1.176 2678 A CA 2.313 54.368 52.037 0.030 0.000 0.631 2678 A CB -0.959 18.067 19.000 0.045 0.000 0.814 2678 A HN 1.130 nan 8.150 nan 0.000 0.446 2679 A N -2.492 120.353 122.820 0.042 0.000 1.968 2679 A HA 0.358 4.679 4.320 0.000 0.000 0.217 2679 A C 2.120 179.719 177.584 0.025 0.000 1.169 2679 A CA 1.879 53.936 52.037 0.034 0.000 0.638 2679 A CB -0.635 18.388 19.000 0.039 0.000 0.812 2679 A HN 1.808 nan 8.150 nan 0.000 0.446 2680 G N -1.825 106.990 108.800 0.025 0.000 2.905 2680 G HA2 -0.053 3.907 3.960 0.000 0.000 0.199 2680 G HA3 -0.053 3.907 3.960 0.000 0.000 0.199 2680 G C 0.488 175.401 174.900 0.021 0.000 1.370 2680 G CA 0.569 45.681 45.100 0.020 0.000 0.966 2680 G HN 1.854 nan 8.290 nan 0.000 0.522 2681 S N -0.711 115.004 115.700 0.024 0.000 2.651 2681 S HA 0.690 5.160 4.470 0.000 0.000 0.279 2681 S C 1.186 175.805 174.600 0.031 0.000 1.148 2681 S CA 0.384 58.600 58.200 0.026 0.000 0.837 2681 S CB 1.714 64.927 63.200 0.022 0.000 1.138 2681 S HN 1.168 nan 8.310 nan 0.000 0.478 2682 V N 1.358 121.292 119.914 0.033 0.000 2.332 2682 V HA -0.169 3.951 4.120 0.000 0.000 0.248 2682 V C 2.669 178.780 176.094 0.029 0.000 1.055 2682 V CA 2.027 64.348 62.300 0.036 0.000 1.038 2682 V CB -1.687 30.158 31.823 0.037 0.000 0.651 2682 V HN 0.979 nan 8.190 nan 0.000 0.450 2683 V N -1.564 118.365 119.914 0.024 0.000 2.626 2683 V HA -0.163 3.957 4.120 0.000 0.000 0.252 2683 V C 2.100 178.203 176.094 0.016 0.000 1.067 2683 V CA 2.070 64.381 62.300 0.019 0.000 1.081 2683 V CB -0.863 30.971 31.823 0.017 0.000 0.686 2683 V HN 0.415 nan 8.190 nan 0.000 0.468 2684 D N 1.595 122.006 120.400 0.018 0.000 2.084 2684 D HA -0.065 4.575 4.640 0.000 0.000 0.196 2684 D C 2.380 178.689 176.300 0.015 0.000 0.985 2684 D CA 2.058 56.067 54.000 0.015 0.000 0.826 2684 D CB -0.386 40.425 40.800 0.018 0.000 0.978 2684 D HN 0.558 nan 8.370 nan 0.000 0.456 2685 A N 1.242 124.076 122.820 0.023 0.000 1.883 2685 A HA -0.153 4.167 4.320 0.000 0.000 0.217 2685 A C 2.375 179.961 177.584 0.003 0.000 1.186 2685 A CA 0.997 53.047 52.037 0.022 0.000 0.624 2685 A CB -0.978 18.052 19.000 0.050 0.000 0.822 2685 A HN 0.240 nan 8.150 nan 0.000 0.444 2686 L N -0.983 120.245 121.223 0.008 0.000 1.990 2686 L HA -0.244 4.096 4.340 0.000 0.000 0.213 2686 L C 2.871 179.739 176.870 -0.005 0.000 1.072 2686 L CA 1.549 56.389 54.840 0.001 0.000 0.755 2686 L CB -0.285 41.779 42.059 0.008 0.000 0.889 2686 L HN 0.323 nan 8.230 nan 0.000 0.432 2687 R N -0.249 120.251 120.500 -0.000 0.000 2.081 2687 R HA -0.106 4.234 4.340 0.000 0.000 0.235 2687 R C 2.181 178.477 176.300 -0.008 0.000 1.131 2687 R CA 1.362 57.461 56.100 -0.002 0.000 0.960 2687 R CB -1.158 29.142 30.300 0.002 0.000 0.856 2687 R HN 0.466 nan 8.270 nan 0.000 0.436 2688 A N 0.838 123.653 122.820 -0.008 0.000 1.873 2688 A HA -0.152 4.168 4.320 0.000 0.000 0.218 2688 A C 2.510 180.080 177.584 -0.024 0.000 1.193 2688 A CA 2.037 54.066 52.037 -0.013 0.000 0.629 2688 A CB -0.775 18.219 19.000 -0.010 0.000 0.826 2688 A HN 0.112 nan 8.150 nan 0.000 0.447 2689 V N 0.172 120.065 119.914 -0.034 0.000 2.343 2689 V HA -0.236 3.884 4.120 0.000 0.000 0.247 2689 V C 2.710 178.783 176.094 -0.035 0.000 1.051 2689 V CA 1.990 64.261 62.300 -0.048 0.000 1.036 2689 V CB -0.848 30.935 31.823 -0.066 0.000 0.654 2689 V HN 0.458 nan 8.190 nan 0.000 0.451 2690 R N 0.357 120.842 120.500 -0.024 0.000 2.091 2690 R HA -0.181 4.159 4.340 0.000 0.000 0.238 2690 R C 2.120 178.410 176.300 -0.017 0.000 1.136 2690 R CA 1.903 57.992 56.100 -0.018 0.000 0.959 2690 R CB -0.979 29.315 30.300 -0.011 0.000 0.856 2690 R HN 0.567 nan 8.270 nan 0.000 0.437 2691 N N 0.312 119.003 118.700 -0.015 0.000 2.331 2691 N HA -0.060 4.680 4.740 0.000 0.000 0.180 2691 N C 1.345 176.845 175.510 -0.017 0.000 1.019 2691 N CA 1.166 54.208 53.050 -0.014 0.000 0.881 2691 N CB 0.112 38.593 38.487 -0.011 0.000 0.972 2691 N HN 0.215 nan 8.380 nan 0.000 0.435 2692 A N -0.872 121.935 122.820 -0.022 0.000 1.997 2692 A HA 0.572 4.892 4.320 0.000 0.000 0.212 2692 A C 1.025 178.592 177.584 -0.028 0.000 1.178 2692 A CA 0.792 52.814 52.037 -0.025 0.000 0.698 2692 A CB 0.060 19.041 19.000 -0.030 0.000 0.842 2692 A HN 0.271 nan 8.150 nan 0.000 0.458 2693 A N -0.118 122.684 122.820 -0.031 0.000 3.317 2693 A HA 0.557 4.877 4.320 0.000 0.000 0.307 2693 A C -1.675 175.893 177.584 -0.026 0.000 1.003 2693 A CA -0.693 51.325 52.037 -0.031 0.000 0.882 2693 A CB 0.347 19.323 19.000 -0.040 0.000 1.136 2693 A HN 0.161 nan 8.150 nan 0.000 0.488 2694 P HA -0.171 nan 4.420 nan 0.000 0.223 2694 P C 0.367 177.658 177.300 -0.015 0.000 1.144 2694 P CA 1.432 64.522 63.100 -0.016 0.000 0.783 2694 P CB 0.165 31.858 31.700 -0.013 0.000 0.771 2695 D N -1.642 118.748 120.400 -0.017 0.000 2.349 2695 D HA 0.043 4.683 4.640 0.000 0.000 0.214 2695 D C 0.385 176.674 176.300 -0.018 0.000 1.063 2695 D CA -0.224 53.767 54.000 -0.016 0.000 0.847 2695 D CB -0.133 40.657 40.800 -0.017 0.000 0.933 2695 D HN 0.122 nan 8.370 nan 0.000 0.513 2696 L N 1.664 122.874 121.223 -0.022 0.000 2.295 2696 L HA 0.420 4.760 4.340 0.000 0.000 0.285 2696 L C -2.375 174.482 176.870 -0.020 0.000 1.035 2696 L CA -2.207 52.617 54.840 -0.026 0.000 0.806 2696 L CB 1.456 43.493 42.059 -0.036 0.000 1.214 2696 L HN -0.297 nan 8.230 nan 0.000 0.426 2697 P HA 0.021 nan 4.420 nan 0.000 0.263 2697 P C -0.932 176.362 177.300 -0.010 0.000 1.195 2697 P CA -0.051 63.045 63.100 -0.006 0.000 0.762 2697 P CB 0.265 31.965 31.700 0.000 0.000 0.799 2698 C N 4.979 124.277 119.300 -0.004 0.000 2.255 2698 C HA 0.310 4.770 4.460 0.000 0.000 0.326 2698 C C 0.033 175.027 174.990 0.006 0.000 1.258 2698 C CA -0.144 58.869 59.018 -0.007 0.000 1.676 2698 C CB -0.933 26.802 27.740 -0.008 0.000 2.314 2698 C HN 0.566 nan 8.230 nan 0.000 0.509 2699 E N 2.989 123.195 120.200 0.009 0.000 2.222 2699 E HA 0.610 4.960 4.350 0.000 0.000 0.267 2699 E C -1.264 175.348 176.600 0.019 0.000 0.884 2699 E CA -0.531 55.883 56.400 0.023 0.000 0.764 2699 E CB 2.387 32.118 29.700 0.052 0.000 1.169 2699 E HN 0.451 nan 8.360 nan 0.000 0.413 2700 V N 1.822 121.747 119.914 0.019 0.000 2.789 2700 V HA 0.350 4.471 4.120 0.000 0.000 0.311 2700 V C -1.237 174.866 176.094 0.015 0.000 1.073 2700 V CA -0.526 61.788 62.300 0.023 0.000 0.921 2700 V CB 1.900 33.737 31.823 0.023 0.000 1.009 2700 V HN 0.783 nan 8.190 nan 0.000 0.426 2701 E N 4.625 124.840 120.200 0.025 0.000 2.134 2701 E HA 0.620 4.970 4.350 0.000 0.000 0.278 2701 E C -1.053 175.558 176.600 0.018 0.000 0.959 2701 E CA -0.588 55.817 56.400 0.008 0.000 0.783 2701 E CB 1.852 31.564 29.700 0.019 0.000 1.095 2701 E HN 0.841 nan 8.360 nan 0.000 0.399 2702 V N 1.741 121.656 119.914 0.003 0.000 2.769 2702 V HA 0.504 4.624 4.120 0.000 0.000 0.312 2702 V C -0.416 175.754 176.094 0.128 0.000 1.061 2702 V CA -0.626 61.711 62.300 0.062 0.000 0.931 2702 V CB 1.871 33.745 31.823 0.084 0.000 1.010 2702 V HN 0.773 nan 8.190 nan 0.000 0.433 2703 D N 1.136 121.656 120.400 0.199 0.000 2.479 2703 D HA 0.322 4.963 4.640 0.000 0.000 0.218 2703 D C 0.407 176.878 176.300 0.285 0.000 1.177 2703 D CA 0.521 54.702 54.000 0.301 0.000 0.830 2703 D CB 0.346 41.235 40.800 0.148 0.000 1.014 2703 D HN 0.992 nan 8.370 nan 0.000 0.503 2704 S N -1.224 114.628 115.700 0.252 0.000 2.596 2704 S HA 0.397 4.867 4.470 0.000 0.000 0.270 2704 S C 0.318 174.962 174.600 0.072 0.000 1.155 2704 S CA -0.940 57.260 58.200 -0.000 0.000 0.827 2704 S CB 0.865 64.061 63.200 -0.006 0.000 1.130 2704 S HN -0.002 nan 8.310 nan 0.000 0.467 2705 L N 0.807 121.971 121.223 -0.098 0.000 2.217 2705 L HA 0.030 4.370 4.340 0.000 0.000 0.211 2705 L C 2.318 179.217 176.870 0.048 0.000 1.107 2705 L CA 1.118 55.964 54.840 0.010 0.000 0.783 2705 L CB -0.533 41.487 42.059 -0.065 0.000 0.919 2705 L HN 0.722 nan 8.230 nan 0.000 0.442 2706 E N 0.136 120.352 120.200 0.026 0.000 2.031 2706 E HA -0.247 4.103 4.350 0.000 0.000 0.193 2706 E C 2.220 178.850 176.600 0.050 0.000 0.994 2706 E CA 1.253 57.673 56.400 0.034 0.000 0.800 2706 E CB -0.179 29.536 29.700 0.024 0.000 0.752 2706 E HN 0.439 nan 8.360 nan 0.000 0.447 2707 Q N -0.113 119.726 119.800 0.064 0.000 2.084 2707 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 2707 Q C 2.295 178.341 176.000 0.076 0.000 0.978 2707 Q CA 1.137 56.982 55.803 0.070 0.000 0.844 2707 Q CB -0.245 28.542 28.738 0.082 0.000 0.898 2707 Q HN 0.214 nan 8.270 nan 0.000 0.426 2708 L N 1.347 122.635 121.223 0.108 0.000 2.012 2708 L HA -0.240 4.100 4.340 0.000 0.000 0.210 2708 L C 1.530 178.441 176.870 0.067 0.000 1.073 2708 L CA 1.997 56.896 54.840 0.099 0.000 0.748 2708 L CB -0.424 41.727 42.059 0.153 0.000 0.891 2708 L HN 0.111 nan 8.230 nan 0.000 0.431 2709 D N -0.121 120.316 120.400 0.062 0.000 2.149 2709 D HA -0.169 4.471 4.640 0.000 0.000 0.198 2709 D C 2.178 178.501 176.300 0.039 0.000 0.990 2709 D CA 1.504 55.532 54.000 0.047 0.000 0.839 2709 D CB -0.202 40.623 40.800 0.042 0.000 0.948 2709 D HN 0.560 nan 8.370 nan 0.000 0.460 2710 A N 0.582 123.425 122.820 0.039 0.000 1.930 2710 A HA -0.105 4.215 4.320 0.000 0.000 0.217 2710 A C 2.386 179.988 177.584 0.030 0.000 1.175 2710 A CA 1.789 53.845 52.037 0.033 0.000 0.627 2710 A CB -0.490 18.530 19.000 0.033 0.000 0.815 2710 A HN 0.244 nan 8.150 nan 0.000 0.443 2711 V N -2.894 117.040 119.914 0.033 0.000 3.052 2711 V HA 0.079 4.199 4.120 0.000 0.000 0.254 2711 V C 2.110 178.218 176.094 0.024 0.000 1.100 2711 V CA 0.848 63.165 62.300 0.028 0.000 1.112 2711 V CB -0.772 31.068 31.823 0.028 0.000 0.738 2711 V HN 0.396 nan 8.190 nan 0.000 0.469 2712 L N 0.915 122.154 121.223 0.027 0.000 2.013 2712 L HA -0.078 4.263 4.340 0.000 0.000 0.212 2712 L C 0.578 177.460 176.870 0.020 0.000 1.073 2712 L CA 2.496 57.351 54.840 0.024 0.000 0.753 2712 L CB -1.668 40.408 42.059 0.028 0.000 0.890 2712 L HN 0.377 nan 8.230 nan 0.000 0.432 2713 P HA -0.164 nan 4.420 nan 0.000 0.218 2713 P C 0.997 178.306 177.300 0.014 0.000 1.149 2713 P CA 1.198 64.308 63.100 0.017 0.000 0.817 2713 P CB -0.070 31.640 31.700 0.017 0.000 0.785 2714 E N 0.613 120.822 120.200 0.015 0.000 2.333 2714 E HA -0.118 4.232 4.350 0.000 0.000 0.198 2714 E C 0.522 177.129 176.600 0.011 0.000 1.007 2714 E CA 0.464 56.871 56.400 0.013 0.000 0.845 2714 E CB -0.626 29.082 29.700 0.013 0.000 0.766 2714 E HN 0.348 nan 8.360 nan 0.000 0.507 2715 K N 0.534 120.942 120.400 0.013 0.000 3.257 2715 K HA -0.146 4.174 4.320 0.000 0.000 0.270 2715 K C -2.297 174.310 176.600 0.012 0.000 0.984 2715 K CA 0.308 56.602 56.287 0.012 0.000 0.739 2715 K CB -1.218 31.289 32.500 0.011 0.000 1.351 2715 K HN 0.258 nan 8.250 nan 0.000 0.463 2716 P HA -0.018 nan 4.420 nan 0.000 0.271 2716 P C 0.479 177.788 177.300 0.015 0.000 1.244 2716 P CA 0.123 63.230 63.100 0.011 0.000 0.793 2716 P CB 0.664 32.370 31.700 0.011 0.000 0.984 2717 E N -0.761 119.449 120.200 0.016 0.000 2.106 2717 E HA 0.019 4.369 4.350 0.000 0.000 0.192 2717 E C 0.496 177.116 176.600 0.033 0.000 0.984 2717 E CA 1.055 57.469 56.400 0.024 0.000 0.806 2717 E CB -0.224 29.491 29.700 0.024 0.000 0.750 2717 E HN 0.308 nan 8.360 nan 0.000 0.458 2718 L N -0.793 120.446 121.223 0.028 0.000 2.556 2718 L HA 0.444 4.784 4.340 0.000 0.000 0.257 2718 L C -1.755 175.122 176.870 0.012 0.000 0.955 2718 L CA -0.433 54.425 54.840 0.030 0.000 0.850 2718 L CB 1.589 43.665 42.059 0.029 0.000 1.398 2718 L HN -0.165 nan 8.230 nan 0.000 0.412 2719 I N 4.307 124.875 120.570 -0.002 0.000 2.465 2719 I HA 0.408 4.578 4.170 0.000 0.000 0.291 2719 I C -1.097 174.981 176.117 -0.064 0.000 1.014 2719 I CA -0.613 60.670 61.300 -0.029 0.000 1.093 2719 I CB 1.931 39.910 38.000 -0.035 0.000 1.267 2719 I HN 0.430 nan 8.210 nan 0.000 0.431 2720 L N 6.825 128.001 121.223 -0.078 0.000 2.264 2720 L HA 0.388 4.729 4.340 0.000 0.000 0.289 2720 L C -0.348 176.392 176.870 -0.216 0.000 1.044 2720 L CA -0.194 54.578 54.840 -0.114 0.000 0.807 2720 L CB 1.014 43.033 42.059 -0.067 0.000 1.192 2720 L HN 0.405 nan 8.230 nan 0.000 0.425 2721 L N 3.313 124.325 121.223 -0.353 0.000 2.334 2721 L HA 0.182 4.522 4.340 0.000 0.000 0.286 2721 L C -0.034 176.541 176.870 -0.492 0.000 1.108 2721 L CA -0.373 54.006 54.840 -0.768 0.000 0.875 2721 L CB 0.137 41.592 42.059 -1.006 0.000 1.246 2721 L HN 0.529 nan 8.230 nan 0.000 0.439 2722 D N 4.833 125.074 120.400 -0.264 0.000 2.344 2722 D HA 0.004 4.644 4.640 0.000 0.000 0.253 2722 D C 0.464 176.843 176.300 0.132 0.000 1.255 2722 D CA 0.225 54.203 54.000 -0.037 0.000 0.894 2722 D CB 0.196 41.005 40.800 0.014 0.000 1.067 2722 D HN 0.421 nan 8.370 nan 0.000 0.492 2723 N N 3.098 121.855 118.700 0.095 0.000 2.756 2723 N HA -0.219 4.521 4.740 0.000 0.000 0.248 2723 N C -0.909 174.792 175.510 0.318 0.000 1.062 2723 N CA 0.453 53.597 53.050 0.157 0.000 0.696 2723 N CB -1.090 37.466 38.487 0.115 0.000 0.946 2723 N HN 0.296 nan 8.380 nan 0.000 0.548 2724 F N 0.958 120.914 119.950 0.010 0.000 2.375 2724 F HA 0.531 5.058 4.527 0.000 0.000 0.333 2724 F C 1.350 177.180 175.800 0.050 0.000 1.104 2724 F CA -1.035 56.947 58.000 -0.030 0.000 1.149 2724 F CB 0.704 39.674 39.000 -0.050 0.000 1.190 2724 F HN 0.135 nan 8.300 nan 0.000 0.533 2725 A N 2.349 125.167 122.820 -0.003 0.000 2.313 2725 A HA 0.409 4.729 4.320 0.000 0.000 0.261 2725 A C 1.104 178.635 177.584 -0.088 0.000 1.090 2725 A CA -0.455 51.575 52.037 -0.011 0.000 0.807 2725 A CB 0.193 19.127 19.000 -0.110 0.000 1.055 2725 A HN 0.655 nan 8.150 nan 0.000 0.492 2726 V N 1.079 120.909 119.914 -0.140 0.000 2.332 2726 V HA -0.256 3.864 4.120 0.000 0.000 0.248 2726 V C 2.306 178.359 176.094 -0.068 0.000 1.055 2726 V CA 2.368 64.499 62.300 -0.282 0.000 1.038 2726 V CB -1.220 30.399 31.823 -0.339 0.000 0.651 2726 V HN 1.064 nan 8.190 nan 0.000 0.450 2727 W N 0.867 122.139 121.300 -0.047 0.000 2.374 2727 W HA -0.201 4.459 4.660 0.000 0.000 0.288 2727 W C 1.821 178.348 176.519 0.012 0.000 1.218 2727 W CA 1.287 58.619 57.345 -0.022 0.000 1.245 2727 W CB -0.958 28.486 29.460 -0.027 0.000 1.126 2727 W HN 0.301 nan 8.180 nan 0.000 0.545 2728 Q N 0.634 119.926 119.800 -0.846 0.000 2.172 2728 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 2728 Q C 2.323 178.288 176.000 -0.058 0.000 0.964 2728 Q CA 2.236 57.564 55.803 -0.792 0.000 0.855 2728 Q CB -0.341 27.679 28.738 -1.196 0.000 0.918 2728 Q HN 0.190 nan 8.270 nan 0.000 0.444 2729 T N 0.804 115.399 114.554 0.068 0.000 2.777 2729 T HA -0.197 4.153 4.350 0.000 0.000 0.266 2729 T C 1.744 176.499 174.700 0.092 0.000 1.040 2729 T CA 1.422 63.623 62.100 0.167 0.000 1.141 2729 T CB -0.169 68.794 68.868 0.159 0.000 0.868 2729 T HN 0.169 nan 8.240 nan 0.000 0.444 2730 Q N 1.193 121.030 119.800 0.062 0.000 2.096 2730 Q HA -0.120 4.220 4.340 0.000 0.000 0.204 2730 Q C 2.257 178.307 176.000 0.084 0.000 0.982 2730 Q CA 2.100 57.944 55.803 0.070 0.000 0.850 2730 Q CB -0.968 27.822 28.738 0.087 0.000 0.901 2730 Q HN 0.475 nan 8.270 nan 0.000 0.422 2731 T N 0.349 114.966 114.554 0.105 0.000 2.708 2731 T HA -0.130 4.220 4.350 0.000 0.000 0.266 2731 T C 1.763 176.518 174.700 0.091 0.000 1.037 2731 T CA 1.511 63.677 62.100 0.110 0.000 1.146 2731 T CB -0.743 68.200 68.868 0.125 0.000 0.865 2731 T HN 0.482 nan 8.240 nan 0.000 0.435 2732 A N 0.990 123.876 122.820 0.110 0.000 1.908 2732 A HA -0.089 4.231 4.320 0.000 0.000 0.218 2732 A C 2.590 180.211 177.584 0.063 0.000 1.181 2732 A CA 1.539 53.643 52.037 0.112 0.000 0.627 2732 A CB -1.069 18.021 19.000 0.149 0.000 0.818 2732 A HN 0.370 nan 8.150 nan 0.000 0.445 2733 V N -0.393 119.553 119.914 0.053 0.000 2.358 2733 V HA -0.293 3.827 4.120 0.000 0.000 0.246 2733 V C 2.621 178.735 176.094 0.032 0.000 1.047 2733 V CA 2.208 64.527 62.300 0.032 0.000 1.035 2733 V CB -0.853 30.986 31.823 0.027 0.000 0.658 2733 V HN 0.647 nan 8.190 nan 0.000 0.452 2734 Q N -0.355 119.472 119.800 0.043 0.000 2.050 2734 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 2734 Q C 2.516 178.539 176.000 0.038 0.000 0.980 2734 Q CA 1.657 57.484 55.803 0.040 0.000 0.840 2734 Q CB -0.218 28.549 28.738 0.050 0.000 0.898 2734 Q HN 0.558 nan 8.270 nan 0.000 0.424 2735 R N 0.231 120.759 120.500 0.047 0.000 2.081 2735 R HA -0.100 4.240 4.340 0.000 0.000 0.235 2735 R C 2.426 178.746 176.300 0.034 0.000 1.131 2735 R CA 1.033 57.159 56.100 0.043 0.000 0.960 2735 R CB -0.274 30.058 30.300 0.054 0.000 0.856 2735 R HN 0.108 nan 8.270 nan 0.000 0.436 2736 R N 1.450 121.969 120.500 0.031 0.000 2.081 2736 R HA -0.151 4.189 4.340 0.000 0.000 0.235 2736 R C 1.082 177.392 176.300 0.016 0.000 1.131 2736 R CA 1.903 58.016 56.100 0.021 0.000 0.960 2736 R CB -0.477 29.832 30.300 0.015 0.000 0.856 2736 R HN 0.151 nan 8.270 nan 0.000 0.436 2737 D N -0.021 120.389 120.400 0.016 0.000 2.178 2737 D HA -0.113 4.527 4.640 0.000 0.000 0.201 2737 D C 1.846 178.154 176.300 0.013 0.000 0.980 2737 D CA 1.890 55.897 54.000 0.012 0.000 0.842 2737 D CB -0.022 40.785 40.800 0.012 0.000 0.948 2737 D HN 0.427 nan 8.370 nan 0.000 0.472 2738 S N -0.633 115.077 115.700 0.017 0.000 2.470 2738 S HA 0.097 4.567 4.470 0.000 0.000 0.222 2738 S C 1.775 176.385 174.600 0.016 0.000 1.024 2738 S CA 0.013 58.223 58.200 0.017 0.000 0.931 2738 S CB 0.280 63.493 63.200 0.020 0.000 0.791 2738 S HN 0.151 nan 8.310 nan 0.000 0.513 2739 R N 0.911 121.421 120.500 0.018 0.000 2.221 2739 R HA 0.492 4.832 4.340 0.000 0.000 0.195 2739 R C 0.304 176.613 176.300 0.015 0.000 0.956 2739 R CA 0.728 56.839 56.100 0.017 0.000 1.064 2739 R CB 0.395 30.707 30.300 0.021 0.000 1.049 2739 R HN 0.371 nan 8.270 nan 0.000 0.534 2740 A N 1.329 124.157 122.820 0.015 0.000 3.300 2740 A HA 0.354 4.675 4.320 0.000 0.000 0.300 2740 A C -2.341 175.249 177.584 0.010 0.000 1.099 2740 A CA -1.047 50.998 52.037 0.012 0.000 0.846 2740 A CB 0.731 19.740 19.000 0.014 0.000 1.255 2740 A HN -0.096 nan 8.150 nan 0.000 0.519 2741 P HA -0.197 nan 4.420 nan 0.000 0.219 2741 P C 1.651 178.953 177.300 0.003 0.000 1.144 2741 P CA 2.329 65.432 63.100 0.004 0.000 0.806 2741 P CB 0.064 31.767 31.700 0.004 0.000 0.771 2742 T N -4.815 109.743 114.554 0.006 0.000 3.043 2742 T HA 0.052 4.402 4.350 0.000 0.000 0.263 2742 T C 0.808 175.515 174.700 0.012 0.000 1.094 2742 T CA 0.041 62.146 62.100 0.008 0.000 1.127 2742 T CB -0.879 67.995 68.868 0.009 0.000 0.905 2742 T HN -0.176 nan 8.240 nan 0.000 0.490 2743 V N 4.142 124.063 119.914 0.012 0.000 2.479 2743 V HA 0.210 4.331 4.120 0.000 0.000 0.281 2743 V C 0.651 176.754 176.094 0.015 0.000 1.031 2743 V CA -0.261 62.048 62.300 0.015 0.000 1.038 2743 V CB 0.128 31.959 31.823 0.013 0.000 0.981 2743 V HN 0.475 nan 8.190 nan 0.000 0.478 2744 M N 5.357 124.976 119.600 0.032 0.000 2.250 2744 M HA 0.393 4.873 4.480 0.000 0.000 0.344 2744 M C -0.633 175.690 176.300 0.037 0.000 1.150 2744 M CA -0.459 54.866 55.300 0.042 0.000 1.147 2744 M CB 1.103 33.785 32.600 0.137 0.000 1.498 2744 M HN 0.307 nan 8.290 nan 0.000 0.461 2745 L N 1.931 123.163 121.223 0.014 0.000 2.341 2745 L HA 0.440 4.780 4.340 0.000 0.000 0.278 2745 L C -0.304 176.583 176.870 0.028 0.000 1.005 2745 L CA -0.197 54.640 54.840 -0.005 0.000 0.818 2745 L CB 1.599 43.640 42.059 -0.031 0.000 1.259 2745 L HN 0.701 nan 8.230 nan 0.000 0.418 2746 E N 1.621 121.827 120.200 0.010 0.000 2.224 2746 E HA 0.489 4.839 4.350 0.000 0.000 0.265 2746 E C -1.236 175.324 176.600 -0.067 0.000 0.878 2746 E CA -0.415 56.001 56.400 0.028 0.000 0.759 2746 E CB 1.410 31.121 29.700 0.018 0.000 1.164 2746 E HN 0.558 nan 8.360 nan 0.000 0.414 2747 S N 2.370 118.036 115.700 -0.057 0.000 2.499 2747 S HA 0.325 4.795 4.470 0.000 0.000 0.275 2747 S C -0.673 173.842 174.600 -0.141 0.000 1.257 2747 S CA -0.421 57.712 58.200 -0.112 0.000 1.050 2747 S CB 1.241 64.393 63.200 -0.081 0.000 0.937 2747 S HN 0.429 nan 8.310 nan 0.000 0.490 2748 S N 2.412 118.020 115.700 -0.153 0.000 2.594 2748 S HA 0.790 5.260 4.470 0.000 0.000 0.296 2748 S C 0.377 174.913 174.600 -0.106 0.000 1.124 2748 S CA 0.340 58.466 58.200 -0.123 0.000 1.011 2748 S CB 0.826 63.972 63.200 -0.089 0.000 1.016 2748 S HN 1.110 nan 8.310 nan 0.000 0.485 2749 G N 3.607 112.350 108.800 -0.096 0.000 1.742 2749 G HA2 0.003 3.963 3.960 0.000 0.000 0.185 2749 G HA3 0.003 3.963 3.960 0.000 0.000 0.185 2749 G C 0.582 175.453 174.900 -0.050 0.000 1.174 2749 G CA 0.025 45.093 45.100 -0.053 0.000 1.276 2749 G HN 1.507 nan 8.290 nan 0.000 0.424 2750 G N 0.854 109.617 108.800 -0.062 0.000 3.471 2750 G HA2 0.498 4.458 3.960 0.000 0.000 0.254 2750 G HA3 0.498 4.458 3.960 0.000 0.000 0.254 2750 G C -0.242 174.615 174.900 -0.070 0.000 1.199 2750 G CA 0.105 45.196 45.100 -0.016 0.000 1.683 2750 G HN 0.418 nan 8.290 nan 0.000 0.625 2751 L N 1.729 122.905 121.223 -0.079 0.000 2.289 2751 L HA 0.599 4.939 4.340 0.000 0.000 0.285 2751 L C 0.531 177.549 176.870 0.246 0.000 1.049 2751 L CA -0.594 54.250 54.840 0.006 0.000 0.804 2751 L CB 1.599 43.641 42.059 -0.029 0.000 1.195 2751 L HN 0.247 nan 8.230 nan 0.000 0.428 2752 S N 2.025 117.891 115.700 0.277 0.000 2.595 2752 S HA 0.448 4.918 4.470 0.000 0.000 0.281 2752 S C 0.443 174.990 174.600 -0.088 0.000 1.117 2752 S CA -0.735 57.594 58.200 0.215 0.000 0.873 2752 S CB 1.189 64.452 63.200 0.104 0.000 1.108 2752 S HN 0.398 nan 8.310 nan 0.000 0.477 2753 L N 1.420 122.382 121.223 -0.435 0.000 2.265 2753 L HA -0.042 4.298 4.340 0.000 0.000 0.215 2753 L C 2.517 179.129 176.870 -0.430 0.000 1.117 2753 L CA 1.813 56.092 54.840 -0.934 0.000 0.782 2753 L CB -0.875 40.686 42.059 -0.830 0.000 0.914 2753 L HN 0.807 nan 8.230 nan 0.000 0.441 2754 Q N -1.578 118.103 119.800 -0.197 0.000 2.245 2754 Q HA -0.049 4.291 4.340 0.000 0.000 0.201 2754 Q C 1.817 177.797 176.000 -0.034 0.000 0.955 2754 Q CA 1.582 57.326 55.803 -0.099 0.000 0.870 2754 Q CB -0.985 27.727 28.738 -0.044 0.000 0.945 2754 Q HN 0.652 nan 8.270 nan 0.000 0.461 2755 T N -2.664 111.907 114.554 0.028 0.000 3.044 2755 T HA 0.449 4.799 4.350 0.000 0.000 0.250 2755 T C 1.945 176.784 174.700 0.232 0.000 1.081 2755 T CA 0.425 62.618 62.100 0.154 0.000 1.040 2755 T CB 0.114 69.160 68.868 0.298 0.000 0.962 2755 T HN 0.221 nan 8.240 nan 0.000 0.506 2756 A N 2.310 125.201 122.820 0.120 0.000 1.896 2756 A HA 0.033 4.353 4.320 0.000 0.000 0.220 2756 A C 2.774 180.464 177.584 0.176 0.000 1.206 2756 A CA 2.316 54.465 52.037 0.187 0.000 0.647 2756 A CB -1.517 17.498 19.000 0.025 0.000 0.828 2756 A HN 0.788 nan 8.150 nan 0.000 0.455 2757 A N -1.572 121.295 122.820 0.077 0.000 1.933 2757 A HA -0.053 4.268 4.320 0.000 0.000 0.218 2757 A C 2.292 179.914 177.584 0.063 0.000 1.175 2757 A CA 2.273 54.345 52.037 0.058 0.000 0.628 2757 A CB -1.210 17.798 19.000 0.014 0.000 0.814 2757 A HN 0.478 nan 8.150 nan 0.000 0.444 2758 T N -1.222 113.369 114.554 0.060 0.000 2.708 2758 T HA -0.155 4.196 4.350 0.000 0.000 0.266 2758 T C 1.738 176.415 174.700 -0.039 0.000 1.037 2758 T CA 1.833 63.928 62.100 -0.007 0.000 1.146 2758 T CB -0.448 68.392 68.868 -0.047 0.000 0.865 2758 T HN 0.556 nan 8.240 nan 0.000 0.435 2759 Y N 1.385 121.717 120.300 0.053 0.000 2.163 2759 Y HA 0.022 4.572 4.550 0.000 0.000 0.288 2759 Y C 2.767 178.691 175.900 0.040 0.000 1.136 2759 Y CA 0.827 58.960 58.100 0.055 0.000 1.147 2759 Y CB -0.711 37.791 38.460 0.071 0.000 0.987 2759 Y HN 0.184 nan 8.280 nan 0.000 0.509 2760 A N 0.040 122.976 122.820 0.193 0.000 1.978 2760 A HA -0.239 4.082 4.320 0.000 0.000 0.220 2760 A C 1.970 179.588 177.584 0.057 0.000 1.170 2760 A CA 1.912 54.014 52.037 0.109 0.000 0.636 2760 A CB -0.628 18.431 19.000 0.099 0.000 0.810 2760 A HN 0.540 nan 8.150 nan 0.000 0.448 2761 E N -0.693 119.533 120.200 0.043 0.000 2.338 2761 E HA -0.113 4.237 4.350 0.000 0.000 0.197 2761 E C 2.008 178.616 176.600 0.012 0.000 1.007 2761 E CA 1.230 57.641 56.400 0.018 0.000 0.849 2761 E CB -0.179 29.526 29.700 0.008 0.000 0.774 2761 E HN 0.871 nan 8.360 nan 0.000 0.506 2762 T N -3.224 111.339 114.554 0.016 0.000 3.035 2762 T HA 0.037 4.387 4.350 0.000 0.000 0.268 2762 T C 1.569 176.279 174.700 0.017 0.000 1.109 2762 T CA 0.736 62.845 62.100 0.016 0.000 1.119 2762 T CB 0.220 69.100 68.868 0.019 0.000 0.900 2762 T HN 0.251 nan 8.240 nan 0.000 0.503 2763 G N 0.836 109.644 108.800 0.013 0.000 2.159 2763 G HA2 -0.196 3.764 3.960 0.000 0.000 0.227 2763 G HA3 -0.196 3.764 3.960 0.000 0.000 0.227 2763 G C 0.135 175.022 174.900 -0.021 0.000 0.986 2763 G CA -0.087 45.009 45.100 -0.006 0.000 0.651 2763 G HN 1.334 nan 8.290 nan 0.000 0.523 2764 V N -1.708 118.202 119.914 -0.005 0.000 3.139 2764 V HA 0.347 4.467 4.120 0.000 0.000 0.307 2764 V C 1.271 177.307 176.094 -0.098 0.000 1.095 2764 V CA 0.763 63.046 62.300 -0.028 0.000 1.160 2764 V CB 0.782 32.611 31.823 0.010 0.000 1.003 2764 V HN 0.183 nan 8.190 nan 0.000 0.489 2765 D N 0.224 120.514 120.400 -0.183 0.000 2.213 2765 D HA 0.090 4.730 4.640 0.000 0.000 0.205 2765 D C -0.198 175.719 176.300 -0.637 0.000 0.961 2765 D CA 1.613 55.342 54.000 -0.451 0.000 0.853 2765 D CB 0.242 40.680 40.800 -0.603 0.000 0.967 2765 D HN 0.686 nan 8.370 nan 0.000 0.496 2766 Y N -0.508 119.758 120.300 -0.056 0.000 2.581 2766 Y HA 0.455 5.005 4.550 0.000 0.000 0.345 2766 Y C -0.660 175.193 175.900 -0.078 0.000 1.036 2766 Y CA -1.085 56.968 58.100 -0.078 0.000 1.042 2766 Y CB 1.534 39.913 38.460 -0.135 0.000 1.289 2766 Y HN -0.300 nan 8.280 nan 0.000 0.471 2767 L N 2.086 123.367 121.223 0.096 0.000 2.349 2767 L HA 0.746 5.086 4.340 0.000 0.000 0.278 2767 L C -0.323 176.489 176.870 -0.097 0.000 0.996 2767 L CA -0.848 53.987 54.840 -0.008 0.000 0.825 2767 L CB 1.491 43.563 42.059 0.022 0.000 1.243 2767 L HN 0.780 nan 8.230 nan 0.000 0.412 2768 A N 4.422 127.160 122.820 -0.137 0.000 2.310 2768 A HA 0.635 4.955 4.320 0.000 0.000 0.300 2768 A C -0.491 176.941 177.584 -0.254 0.000 1.269 2768 A CA -0.379 51.553 52.037 -0.175 0.000 0.909 2768 A CB 0.141 19.062 19.000 -0.131 0.000 1.144 2768 A HN 0.415 nan 8.150 nan 0.000 0.540 2769 V N 3.859 123.561 119.914 -0.353 0.000 2.275 2769 V HA 0.345 4.465 4.120 0.000 0.000 0.272 2769 V C 1.412 177.262 176.094 -0.407 0.000 1.028 2769 V CA 0.224 62.210 62.300 -0.524 0.000 0.810 2769 V CB 0.681 31.897 31.823 -1.011 0.000 1.043 2769 V HN 1.021 nan 8.190 nan 0.000 0.453 2770 G N 3.273 111.893 108.800 -0.300 0.000 2.443 2770 G HA2 -0.118 3.842 3.960 0.000 0.000 0.219 2770 G HA3 -0.118 3.842 3.960 0.000 0.000 0.219 2770 G C 1.552 175.949 174.900 -0.839 0.000 1.131 2770 G CA 1.012 45.929 45.100 -0.305 0.000 0.775 2770 G HN 0.814 nan 8.290 nan 0.000 0.547 2771 A N 0.588 122.927 122.820 -0.801 0.000 2.024 2771 A HA 0.022 4.342 4.320 0.000 0.000 0.220 2771 A C 2.276 179.585 177.584 -0.458 0.000 1.164 2771 A CA 1.221 52.813 52.037 -0.741 0.000 0.643 2771 A CB -0.311 18.559 19.000 -0.217 0.000 0.806 2771 A HN 0.291 nan 8.150 nan 0.000 0.451 2772 L N 0.151 121.123 121.223 -0.419 0.000 2.081 2772 L HA -0.171 4.169 4.340 0.000 0.000 0.212 2772 L C 2.819 179.562 176.870 -0.213 0.000 1.080 2772 L CA 2.603 57.273 54.840 -0.283 0.000 0.754 2772 L CB -1.174 40.703 42.059 -0.303 0.000 0.893 2772 L HN 0.690 nan 8.230 nan 0.000 0.433 2773 T N -4.395 110.025 114.554 -0.223 0.000 3.034 2773 T HA 0.075 4.425 4.350 0.000 0.000 0.248 2773 T C 0.647 175.354 174.700 0.012 0.000 1.040 2773 T CA 0.114 62.158 62.100 -0.092 0.000 1.107 2773 T CB -0.375 68.466 68.868 -0.046 0.000 0.932 2773 T HN 0.431 nan 8.240 nan 0.000 0.474 2774 H N 0.768 119.839 119.070 0.002 0.000 2.496 2774 H HA 0.711 5.267 4.556 0.000 0.000 0.342 2774 H C 0.083 175.426 175.328 0.024 0.000 1.170 2774 H CA -0.965 55.096 56.048 0.023 0.000 1.274 2774 H CB 0.657 30.425 29.762 0.009 0.000 1.538 2774 H HN 0.029 nan 8.280 nan 0.000 0.542 2775 S N -0.812 115.079 115.700 0.318 0.000 3.797 2775 S HA -0.140 4.330 4.470 0.000 0.000 0.374 2775 S C -0.049 174.608 174.600 0.095 0.000 0.970 2775 S CA 0.556 58.887 58.200 0.218 0.000 1.177 2775 S CB -2.362 61.016 63.200 0.296 0.000 0.891 2775 S HN 1.123 nan 8.310 nan 0.000 0.491 2776 V N -0.153 119.810 119.914 0.083 0.000 2.472 2776 V HA 0.722 4.842 4.120 0.000 0.000 0.290 2776 V C 0.244 176.362 176.094 0.040 0.000 1.037 2776 V CA -1.008 61.300 62.300 0.014 0.000 0.908 2776 V CB 1.844 33.598 31.823 -0.115 0.000 0.985 2776 V HN 0.478 nan 8.190 nan 0.000 0.454 2777 R N 4.117 124.628 120.500 0.019 0.000 2.265 2777 R HA 0.578 4.919 4.340 0.000 0.000 0.319 2777 R C -0.667 175.643 176.300 0.017 0.000 1.006 2777 R CA -0.514 55.604 56.100 0.030 0.000 0.880 2777 R CB 1.780 32.096 30.300 0.028 0.000 1.077 2777 R HN 0.818 nan 8.270 nan 0.000 0.454 2778 V N 5.194 125.132 119.914 0.040 0.000 2.843 2778 V HA 0.041 4.161 4.120 0.000 0.000 0.305 2778 V C -0.220 175.887 176.094 0.021 0.000 1.065 2778 V CA -0.154 62.171 62.300 0.041 0.000 1.116 2778 V CB 1.119 32.978 31.823 0.060 0.000 0.968 2778 V HN 0.586 nan 8.190 nan 0.000 0.487 2779 L N 5.289 126.521 121.223 0.016 0.000 2.264 2779 L HA 0.445 4.785 4.340 0.000 0.000 0.289 2779 L C -0.151 176.729 176.870 0.016 0.000 1.044 2779 L CA -0.036 54.810 54.840 0.011 0.000 0.807 2779 L CB 1.115 43.176 42.059 0.004 0.000 1.192 2779 L HN 0.709 nan 8.230 nan 0.000 0.425 2780 D N 5.541 125.949 120.400 0.014 0.000 2.346 2780 D HA 0.298 4.938 4.640 0.000 0.000 0.260 2780 D C -0.704 175.602 176.300 0.011 0.000 1.252 2780 D CA 0.483 54.491 54.000 0.013 0.000 0.895 2780 D CB 0.136 40.943 40.800 0.011 0.000 1.097 2780 D HN 0.426 nan 8.370 nan 0.000 0.489 2781 I N 2.482 123.058 120.570 0.011 0.000 2.582 2781 I HA 0.544 4.715 4.170 0.000 0.000 0.292 2781 I C 0.671 176.791 176.117 0.006 0.000 1.066 2781 I CA -0.936 60.369 61.300 0.008 0.000 1.053 2781 I CB 2.445 40.451 38.000 0.010 0.000 1.241 2781 I HN 0.343 nan 8.210 nan 0.000 0.421 2782 G N 4.308 113.110 108.800 0.004 0.000 2.537 2782 G HA2 0.673 4.633 3.960 0.000 0.000 0.308 2782 G HA3 0.673 4.633 3.960 0.000 0.000 0.308 2782 G C -1.813 173.086 174.900 -0.001 0.000 1.237 2782 G CA -0.625 44.475 45.100 0.001 0.000 0.968 2782 G HN 0.398 nan 8.290 nan 0.000 0.481 2783 L N 1.186 122.407 121.223 -0.004 0.000 2.264 2783 L HA 0.479 4.819 4.340 0.000 0.000 0.287 2783 L C -1.087 175.781 176.870 -0.004 0.000 1.039 2783 L CA -0.753 54.083 54.840 -0.006 0.000 0.829 2783 L CB 0.987 43.040 42.059 -0.011 0.000 1.211 2783 L HN 0.245 nan 8.230 nan 0.000 0.427 2784 D N 6.432 126.831 120.400 -0.002 0.000 2.233 2784 D HA 0.487 5.127 4.640 0.000 0.000 0.240 2784 D C -0.079 176.221 176.300 0.001 0.000 1.074 2784 D CA 0.081 54.081 54.000 0.000 0.000 0.838 2784 D CB 1.653 42.454 40.800 0.002 0.000 1.124 2784 D HN 0.506 nan 8.370 nan 0.000 0.475 2785 M N 0.000 119.601 119.600 0.001 0.000 2.572 2785 M HA 0.000 4.480 4.480 0.000 0.000 0.227 2785 M CA 0.000 55.302 55.300 0.003 0.000 0.988 2785 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2785 M HN 0.000 nan 8.290 nan 0.000 0.411