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 1qpq_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 -0.053 0.000 0.946 2502 G CA 0.000 45.120 45.100 0.033 0.000 0.502 2503 L N 1.522 122.627 121.223 -0.197 0.000 2.417 2503 L HA 0.479 4.819 4.340 0.000 0.000 0.268 2503 L C 1.372 178.173 176.870 -0.116 0.000 1.158 2503 L CA -0.401 54.266 54.840 -0.287 0.000 0.819 2503 L CB 1.327 43.180 42.059 -0.344 0.000 1.112 2503 L HN 0.757 nan 8.230 nan 0.000 0.458 2504 S N -0.201 115.453 115.700 -0.077 0.000 2.713 2504 S HA 0.173 4.644 4.470 0.000 0.000 0.277 2504 S C 0.643 175.250 174.600 0.012 0.000 1.168 2504 S CA -0.794 57.411 58.200 0.007 0.000 0.994 2504 S CB 1.093 64.337 63.200 0.072 0.000 1.054 2504 S HN 0.628 nan 8.310 nan 0.000 0.555 2505 D N 0.010 120.449 120.400 0.066 0.000 2.149 2505 D HA -0.134 4.506 4.640 0.000 0.000 0.198 2505 D C 1.477 177.870 176.300 0.155 0.000 0.990 2505 D CA 1.234 55.285 54.000 0.084 0.000 0.839 2505 D CB -0.161 40.693 40.800 0.090 0.000 0.948 2505 D HN 0.785 nan 8.370 nan 0.000 0.460 2506 W N 1.962 123.250 121.300 -0.019 0.000 2.407 2506 W HA -0.132 4.529 4.660 0.000 0.000 0.305 2506 W C 1.778 178.281 176.519 -0.027 0.000 1.196 2506 W CA 0.692 58.027 57.345 -0.016 0.000 1.311 2506 W CB 0.180 29.636 29.460 -0.006 0.000 1.135 2506 W HN -0.086 nan 8.180 nan 0.000 0.514 2507 E N 0.769 120.772 120.200 -0.329 0.000 2.077 2507 E HA -0.264 4.086 4.350 0.000 0.000 0.193 2507 E C 2.063 178.444 176.600 -0.366 0.000 0.989 2507 E CA 1.390 57.491 56.400 -0.498 0.000 0.800 2507 E CB -0.458 29.029 29.700 -0.355 0.000 0.746 2507 E HN 0.130 nan 8.360 nan 0.000 0.452 2508 L N 0.947 122.041 121.223 -0.216 0.000 2.017 2508 L HA -0.165 4.175 4.340 0.000 0.000 0.208 2508 L C 2.261 179.051 176.870 -0.133 0.000 1.073 2508 L CA 2.043 56.792 54.840 -0.152 0.000 0.745 2508 L CB -0.815 41.197 42.059 -0.079 0.000 0.894 2508 L HN 0.081 nan 8.230 nan 0.000 0.432 2509 A N -1.125 121.640 122.820 -0.091 0.000 1.933 2509 A HA -0.105 4.215 4.320 0.000 0.000 0.218 2509 A C 2.412 179.918 177.584 -0.130 0.000 1.175 2509 A CA 1.688 53.700 52.037 -0.042 0.000 0.628 2509 A CB -0.952 18.107 19.000 0.098 0.000 0.814 2509 A HN 0.492 nan 8.150 nan 0.000 0.444 2510 A N -0.149 122.463 122.820 -0.347 0.000 1.930 2510 A HA 0.205 4.525 4.320 0.000 0.000 0.217 2510 A C 2.486 179.918 177.584 -0.254 0.000 1.175 2510 A CA 1.912 53.691 52.037 -0.430 0.000 0.627 2510 A CB -0.940 17.559 19.000 -0.835 0.000 0.815 2510 A HN 0.979 nan 8.150 nan 0.000 0.443 2511 A N 0.059 122.735 122.820 -0.239 0.000 1.858 2511 A HA -0.175 4.146 4.320 0.000 0.000 0.216 2511 A C 2.246 179.763 177.584 -0.112 0.000 1.190 2511 A CA 1.531 53.468 52.037 -0.167 0.000 0.617 2511 A CB -0.521 18.378 19.000 -0.168 0.000 0.827 2511 A HN 0.535 nan 8.150 nan 0.000 0.443 2512 R N -0.535 119.909 120.500 -0.093 0.000 2.105 2512 R HA -0.119 4.221 4.340 0.000 0.000 0.239 2512 R C 2.461 178.732 176.300 -0.048 0.000 1.135 2512 R CA 1.234 57.300 56.100 -0.057 0.000 0.967 2512 R CB -0.508 29.769 30.300 -0.038 0.000 0.861 2512 R HN 0.532 nan 8.270 nan 0.000 0.442 2513 A N 1.324 124.113 122.820 -0.052 0.000 1.877 2513 A HA -0.096 4.224 4.320 0.000 0.000 0.216 2513 A C 2.395 179.953 177.584 -0.043 0.000 1.186 2513 A CA 1.652 53.668 52.037 -0.035 0.000 0.620 2513 A CB -0.603 18.384 19.000 -0.023 0.000 0.822 2513 A HN 0.392 nan 8.150 nan 0.000 0.443 2514 A N 0.510 123.291 122.820 -0.065 0.000 1.858 2514 A HA -0.053 4.267 4.320 0.000 0.000 0.216 2514 A C 2.144 179.695 177.584 -0.054 0.000 1.190 2514 A CA 1.770 53.768 52.037 -0.064 0.000 0.617 2514 A CB -0.844 18.104 19.000 -0.085 0.000 0.827 2514 A HN 1.137 nan 8.150 nan 0.000 0.443 2515 I N -1.181 119.356 120.570 -0.056 0.000 2.208 2515 I HA -0.130 4.040 4.170 0.000 0.000 0.245 2515 I C 2.323 178.419 176.117 -0.036 0.000 1.097 2515 I CA 1.951 63.224 61.300 -0.046 0.000 1.363 2515 I CB -0.784 37.187 38.000 -0.048 0.000 1.051 2515 I HN 0.191 nan 8.210 nan 0.000 0.413 2516 A N 1.141 123.941 122.820 -0.033 0.000 1.908 2516 A HA -0.207 4.113 4.320 0.000 0.000 0.218 2516 A C 2.495 180.064 177.584 -0.025 0.000 1.181 2516 A CA 2.086 54.107 52.037 -0.026 0.000 0.627 2516 A CB -0.771 18.216 19.000 -0.021 0.000 0.818 2516 A HN 0.586 nan 8.150 nan 0.000 0.445 2517 R N -1.046 119.438 120.500 -0.027 0.000 2.092 2517 R HA -0.056 4.284 4.340 0.000 0.000 0.231 2517 R C 2.442 178.728 176.300 -0.023 0.000 1.119 2517 R CA 0.964 57.050 56.100 -0.025 0.000 0.970 2517 R CB -0.610 29.674 30.300 -0.025 0.000 0.864 2517 R HN 0.528 nan 8.270 nan 0.000 0.440 2518 G N 1.526 110.310 108.800 -0.026 0.000 2.459 2518 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 2518 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 2518 G C 1.451 176.344 174.900 -0.013 0.000 1.183 2518 G CA 0.509 45.596 45.100 -0.021 0.000 0.776 2518 G HN 0.116 nan 8.290 nan 0.000 0.552 2519 L N 0.419 121.631 121.223 -0.018 0.000 2.079 2519 L HA -0.087 4.254 4.340 0.000 0.000 0.210 2519 L C 2.539 179.400 176.870 -0.015 0.000 1.081 2519 L CA 1.501 56.332 54.840 -0.014 0.000 0.752 2519 L CB -0.354 41.694 42.059 -0.018 0.000 0.896 2519 L HN 0.252 nan 8.230 nan 0.000 0.433 2520 D N 0.019 120.405 120.400 -0.023 0.000 2.144 2520 D HA -0.195 4.446 4.640 0.000 0.000 0.200 2520 D C 2.014 178.287 176.300 -0.044 0.000 0.978 2520 D CA 1.145 55.121 54.000 -0.039 0.000 0.833 2520 D CB 0.166 40.939 40.800 -0.044 0.000 0.961 2520 D HN 0.292 nan 8.370 nan 0.000 0.470 2521 E N -0.313 119.880 120.200 -0.012 0.000 2.110 2521 E HA -0.152 4.198 4.350 0.000 0.000 0.193 2521 E C 1.425 178.079 176.600 0.090 0.000 0.988 2521 E CA 1.052 57.470 56.400 0.031 0.000 0.804 2521 E CB 0.044 29.769 29.700 0.042 0.000 0.745 2521 E HN 0.313 nan 8.360 nan 0.000 0.458 2522 D N 0.161 120.596 120.400 0.059 0.000 2.149 2522 D HA -0.047 4.593 4.640 0.000 0.000 0.201 2522 D C 1.718 178.072 176.300 0.089 0.000 0.972 2522 D CA 0.797 54.846 54.000 0.081 0.000 0.835 2522 D CB 0.176 41.000 40.800 0.039 0.000 0.966 2522 D HN 0.122 nan 8.370 nan 0.000 0.476 2523 L N 0.009 121.248 121.223 0.026 0.000 2.529 2523 L HA 0.194 4.534 4.340 0.000 0.000 0.223 2523 L C 2.286 179.117 176.870 -0.066 0.000 1.113 2523 L CA -0.056 54.786 54.840 0.002 0.000 0.861 2523 L CB -0.053 41.998 42.059 -0.013 0.000 1.012 2523 L HN -0.084 nan 8.230 nan 0.000 0.461 2524 R N 0.762 121.152 120.500 -0.183 0.000 2.133 2524 R HA -0.230 4.110 4.340 0.000 0.000 0.247 2524 R C 1.525 177.501 176.300 -0.539 0.000 1.151 2524 R CA 2.032 57.873 56.100 -0.432 0.000 0.971 2524 R CB -0.222 29.663 30.300 -0.693 0.000 0.866 2524 R HN 0.349 nan 8.270 nan 0.000 0.447 2525 Y N -0.852 119.445 120.300 -0.004 0.000 2.466 2525 Y HA 0.368 4.919 4.550 0.000 0.000 0.272 2525 Y C 1.000 176.898 175.900 -0.003 0.000 1.169 2525 Y CA 0.344 58.442 58.100 -0.004 0.000 1.285 2525 Y CB 0.866 39.324 38.460 -0.004 0.000 1.078 2525 Y HN 0.345 nan 8.280 nan 0.000 0.523 2526 G N -0.042 108.800 108.800 0.071 0.000 2.351 2526 G HA2 0.087 4.047 3.960 0.000 0.000 0.353 2526 G HA3 0.087 4.047 3.960 0.000 0.000 0.353 2526 G C -3.056 171.871 174.900 0.045 0.000 1.358 2526 G CA -1.338 43.793 45.100 0.051 0.000 0.995 2526 G HN -0.153 nan 8.290 nan 0.000 0.611 2527 P HA 0.293 nan 4.420 nan 0.000 0.275 2527 P C -0.717 176.600 177.300 0.029 0.000 1.266 2527 P CA -0.237 62.877 63.100 0.024 0.000 0.793 2527 P CB 0.768 32.477 31.700 0.015 0.000 1.074 2528 D N 0.403 120.816 120.400 0.022 0.000 2.541 2528 D HA -0.020 4.621 4.640 0.000 0.000 0.231 2528 D C 1.379 177.688 176.300 0.016 0.000 1.163 2528 D CA -0.048 53.964 54.000 0.020 0.000 1.077 2528 D CB -0.587 40.222 40.800 0.014 0.000 1.110 2528 D HN -0.012 nan 8.370 nan 0.000 0.499 2529 V N 3.373 123.297 119.914 0.018 0.000 2.324 2529 V HA -0.270 3.850 4.120 0.000 0.000 0.250 2529 V C 2.207 178.307 176.094 0.010 0.000 1.060 2529 V CA 2.844 65.153 62.300 0.014 0.000 1.042 2529 V CB -0.511 31.320 31.823 0.015 0.000 0.650 2529 V HN 0.658 nan 8.190 nan 0.000 0.450 2530 T N -1.265 113.294 114.554 0.009 0.000 2.821 2530 T HA -0.204 4.146 4.350 0.000 0.000 0.267 2530 T C 1.985 176.688 174.700 0.005 0.000 1.046 2530 T CA 2.801 64.904 62.100 0.006 0.000 1.139 2530 T CB -0.608 68.262 68.868 0.004 0.000 0.871 2530 T HN 0.836 nan 8.240 nan 0.000 0.454 2531 T N -0.209 114.349 114.554 0.006 0.000 2.978 2531 T HA 0.074 4.424 4.350 0.000 0.000 0.262 2531 T C 1.926 176.629 174.700 0.006 0.000 1.063 2531 T CA 0.532 62.635 62.100 0.005 0.000 1.140 2531 T CB -0.440 68.431 68.868 0.005 0.000 0.886 2531 T HN 0.240 nan 8.240 nan 0.000 0.470 2532 L N 1.673 122.900 121.223 0.007 0.000 2.083 2532 L HA 0.282 4.622 4.340 0.000 0.000 0.209 2532 L C 3.008 179.882 176.870 0.006 0.000 1.083 2532 L CA 1.622 56.466 54.840 0.007 0.000 0.752 2532 L CB -1.261 40.802 42.059 0.008 0.000 0.899 2532 L HN 0.486 nan 8.230 nan 0.000 0.433 2533 A N -1.658 121.166 122.820 0.006 0.000 2.072 2533 A HA -0.077 4.243 4.320 0.000 0.000 0.216 2533 A C 2.243 179.830 177.584 0.004 0.000 1.156 2533 A CA 1.587 53.627 52.037 0.005 0.000 0.701 2533 A CB -0.606 18.397 19.000 0.005 0.000 0.816 2533 A HN 0.497 nan 8.150 nan 0.000 0.458 2534 T N -4.038 110.518 114.554 0.004 0.000 3.034 2534 T HA 0.313 4.664 4.350 0.000 0.000 0.248 2534 T C 0.425 175.127 174.700 0.004 0.000 1.040 2534 T CA 0.598 62.700 62.100 0.004 0.000 1.107 2534 T CB -0.180 68.690 68.868 0.003 0.000 0.932 2534 T HN 0.648 nan 8.240 nan 0.000 0.474 2535 V N 3.996 123.912 119.914 0.005 0.000 2.444 2535 V HA 0.622 4.742 4.120 0.000 0.000 0.294 2535 V C -2.921 173.177 176.094 0.006 0.000 1.022 2535 V CA -2.785 59.518 62.300 0.005 0.000 0.850 2535 V CB 2.109 33.935 31.823 0.005 0.000 0.992 2535 V HN 0.105 nan 8.190 nan 0.000 0.426 2536 P HA 0.190 nan 4.420 nan 0.000 0.272 2536 P C 0.736 178.040 177.300 0.007 0.000 1.223 2536 P CA 0.296 63.400 63.100 0.006 0.000 0.784 2536 P CB 1.588 33.291 31.700 0.006 0.000 0.923 2537 A N 3.039 125.864 122.820 0.007 0.000 1.986 2537 A HA -0.210 4.110 4.320 0.000 0.000 0.220 2537 A C 2.111 179.701 177.584 0.009 0.000 1.171 2537 A CA 2.439 54.481 52.037 0.008 0.000 0.640 2537 A CB -1.674 17.331 19.000 0.008 0.000 0.811 2537 A HN 0.682 nan 8.150 nan 0.000 0.451 2538 S N -0.362 115.343 115.700 0.008 0.000 2.522 2538 S HA 0.449 4.920 4.470 0.000 0.000 0.227 2538 S C 1.031 175.637 174.600 0.010 0.000 0.986 2538 S CA 0.295 58.501 58.200 0.009 0.000 0.929 2538 S CB -0.730 62.474 63.200 0.007 0.000 0.769 2538 S HN 0.953 nan 8.310 nan 0.000 0.529 2539 A N 1.341 124.167 122.820 0.010 0.000 2.520 2539 A HA 0.502 4.822 4.320 0.000 0.000 0.235 2539 A C 0.312 177.904 177.584 0.014 0.000 1.065 2539 A CA 0.234 52.278 52.037 0.011 0.000 0.764 2539 A CB 0.005 19.010 19.000 0.009 0.000 1.002 2539 A HN 0.324 nan 8.150 nan 0.000 0.502 2540 T N 1.179 115.741 114.554 0.014 0.000 2.993 2540 T HA 0.689 5.039 4.350 0.000 0.000 0.312 2540 T C -0.362 174.349 174.700 0.017 0.000 1.115 2540 T CA -0.017 62.095 62.100 0.019 0.000 1.027 2540 T CB 1.763 70.643 68.868 0.019 0.000 1.116 2540 T HN 1.023 nan 8.240 nan 0.000 0.464 2541 T N -0.209 114.356 114.554 0.020 0.000 2.804 2541 T HA 0.731 5.081 4.350 0.000 0.000 0.290 2541 T C -0.798 173.915 174.700 0.021 0.000 1.099 2541 T CA -0.922 61.188 62.100 0.017 0.000 1.011 2541 T CB 1.669 70.544 68.868 0.012 0.000 1.291 2541 T HN 0.420 nan 8.240 nan 0.000 0.523 2542 T N 1.043 115.607 114.554 0.018 0.000 2.797 2542 T HA 0.780 5.130 4.350 0.000 0.000 0.279 2542 T C -0.437 174.272 174.700 0.014 0.000 0.991 2542 T CA -0.612 61.500 62.100 0.020 0.000 0.979 2542 T CB 1.202 70.081 68.868 0.017 0.000 0.943 2542 T HN 1.028 nan 8.240 nan 0.000 0.444 2543 A N 2.251 125.079 122.820 0.014 0.000 2.469 2543 A HA 0.887 5.207 4.320 0.000 0.000 0.299 2543 A C -0.524 177.063 177.584 0.005 0.000 1.098 2543 A CA -0.792 51.249 52.037 0.006 0.000 0.737 2543 A CB 1.730 20.730 19.000 -0.000 0.000 1.312 2543 A HN 0.661 nan 8.150 nan 0.000 0.414 2544 S N 0.666 116.368 115.700 0.003 0.000 2.536 2544 S HA 0.563 5.034 4.470 0.000 0.000 0.287 2544 S C -1.055 173.544 174.600 -0.001 0.000 1.101 2544 S CA -0.552 57.650 58.200 0.003 0.000 0.950 2544 S CB 1.236 64.439 63.200 0.006 0.000 1.056 2544 S HN 0.535 nan 8.310 nan 0.000 0.481 2545 L N 3.728 124.951 121.223 -0.001 0.000 2.268 2545 L HA 0.469 4.809 4.340 0.000 0.000 0.289 2545 L C -0.029 176.842 176.870 0.002 0.000 1.064 2545 L CA -0.127 54.711 54.840 -0.002 0.000 0.824 2545 L CB 0.555 42.611 42.059 -0.004 0.000 1.202 2545 L HN 0.554 nan 8.230 nan 0.000 0.433 2546 V N 3.094 123.009 119.914 0.002 0.000 2.628 2546 V HA 0.693 4.813 4.120 0.000 0.000 0.306 2546 V C 0.309 176.405 176.094 0.004 0.000 1.045 2546 V CA -0.473 61.829 62.300 0.004 0.000 0.905 2546 V CB 2.134 33.960 31.823 0.004 0.000 0.997 2546 V HN 0.855 nan 8.190 nan 0.000 0.436 2547 T N 3.307 117.863 114.554 0.004 0.000 2.913 2547 T HA 0.467 4.817 4.350 0.000 0.000 0.297 2547 T C 0.592 175.294 174.700 0.004 0.000 1.029 2547 T CA -0.395 61.708 62.100 0.004 0.000 1.104 2547 T CB 1.259 70.129 68.868 0.004 0.000 0.964 2547 T HN 0.779 nan 8.240 nan 0.000 0.532 2548 R N 0.408 120.910 120.500 0.004 0.000 2.312 2548 R HA 0.232 4.572 4.340 0.000 0.000 0.205 2548 R C 0.762 177.063 176.300 0.002 0.000 0.904 2548 R CA 0.184 56.286 56.100 0.003 0.000 1.052 2548 R CB 0.224 30.526 30.300 0.003 0.000 1.014 2548 R HN 0.932 nan 8.270 nan 0.000 0.503 2549 E N -1.632 118.570 120.200 0.002 0.000 2.449 2549 E HA 0.626 4.976 4.350 0.000 0.000 0.278 2549 E C -1.409 175.192 176.600 0.001 0.000 0.992 2549 E CA -1.235 55.166 56.400 0.001 0.000 0.807 2549 E CB 1.091 30.792 29.700 0.001 0.000 1.350 2549 E HN -0.073 nan 8.360 nan 0.000 0.462 2550 A N 0.149 122.968 122.820 -0.000 0.000 2.322 2550 A HA 0.805 5.125 4.320 0.000 0.000 0.269 2550 A C 0.395 177.978 177.584 -0.002 0.000 1.094 2550 A CA 0.538 52.574 52.037 -0.001 0.000 0.807 2550 A CB 0.618 19.617 19.000 -0.002 0.000 1.047 2550 A HN 0.967 nan 8.150 nan 0.000 0.487 2551 G N -1.118 107.681 108.800 -0.002 0.000 2.336 2551 G HA2 0.472 4.432 3.960 0.000 0.000 0.286 2551 G HA3 0.472 4.432 3.960 0.000 0.000 0.286 2551 G C -1.603 173.295 174.900 -0.003 0.000 1.269 2551 G CA -0.023 45.075 45.100 -0.003 0.000 0.873 2551 G HN 1.163 nan 8.290 nan 0.000 0.494 2552 V N 0.207 120.118 119.914 -0.006 0.000 2.513 2552 V HA 0.660 4.780 4.120 0.000 0.000 0.299 2552 V C 0.257 176.347 176.094 -0.008 0.000 1.035 2552 V CA -0.731 61.564 62.300 -0.008 0.000 0.889 2552 V CB 1.377 33.192 31.823 -0.014 0.000 0.988 2552 V HN 0.997 nan 8.190 nan 0.000 0.440 2553 V N 4.782 124.695 119.914 -0.002 0.000 2.567 2553 V HA 0.927 5.047 4.120 0.000 0.000 0.289 2553 V C 0.136 176.237 176.094 0.012 0.000 1.049 2553 V CA 0.259 62.563 62.300 0.008 0.000 0.969 2553 V CB 1.269 33.101 31.823 0.015 0.000 0.995 2553 V HN 1.219 nan 8.190 nan 0.000 0.471 2554 A N 4.159 126.999 122.820 0.032 0.000 2.547 2554 A HA 0.748 5.068 4.320 0.000 0.000 0.297 2554 A C 0.441 178.109 177.584 0.140 0.000 1.056 2554 A CA -0.030 52.051 52.037 0.073 0.000 0.688 2554 A CB 1.441 20.440 19.000 -0.001 0.000 1.282 2554 A HN 2.435 nan 8.150 nan 0.000 0.400 2555 G N 0.132 109.085 108.800 0.254 0.000 2.149 2555 G HA2 -0.094 3.866 3.960 0.000 0.000 0.235 2555 G HA3 -0.094 3.866 3.960 0.000 0.000 0.235 2555 G C 0.458 175.393 174.900 0.059 0.000 1.018 2555 G CA 0.385 45.578 45.100 0.156 0.000 0.728 2555 G HN 1.091 nan 8.290 nan 0.000 0.508 2556 L N 0.641 121.899 121.223 0.058 0.000 2.201 2556 L HA 0.098 4.439 4.340 0.000 0.000 0.212 2556 L C 2.320 179.190 176.870 0.001 0.000 1.105 2556 L CA 2.163 57.018 54.840 0.025 0.000 0.775 2556 L CB -0.461 41.618 42.059 0.033 0.000 0.913 2556 L HN 0.293 nan 8.230 nan 0.000 0.440 2557 D N -0.987 119.407 120.400 -0.010 0.000 2.144 2557 D HA -0.122 4.518 4.640 0.000 0.000 0.199 2557 D C 2.308 178.576 176.300 -0.054 0.000 0.984 2557 D CA 0.968 54.947 54.000 -0.035 0.000 0.834 2557 D CB 0.002 40.757 40.800 -0.075 0.000 0.955 2557 D HN 0.161 nan 8.370 nan 0.000 0.465 2558 V N 1.268 121.144 119.914 -0.064 0.000 2.720 2558 V HA -0.187 3.933 4.120 0.000 0.000 0.256 2558 V C 2.424 178.483 176.094 -0.059 0.000 1.082 2558 V CA 1.464 63.723 62.300 -0.069 0.000 1.101 2558 V CB -0.658 31.127 31.823 -0.064 0.000 0.693 2558 V HN 0.163 nan 8.190 nan 0.000 0.479 2559 A N 0.078 122.867 122.820 -0.052 0.000 1.872 2559 A HA -0.084 4.236 4.320 0.000 0.000 0.214 2559 A C 2.073 179.589 177.584 -0.113 0.000 1.187 2559 A CA 1.325 53.319 52.037 -0.072 0.000 0.614 2559 A CB -0.468 18.498 19.000 -0.056 0.000 0.826 2559 A HN 0.368 nan 8.150 nan 0.000 0.442 2560 L N 0.003 121.176 121.223 -0.083 0.000 2.042 2560 L HA -0.153 4.187 4.340 0.000 0.000 0.210 2560 L C 2.509 179.345 176.870 -0.058 0.000 1.076 2560 L CA 1.474 56.268 54.840 -0.076 0.000 0.749 2560 L CB -1.592 40.494 42.059 0.045 0.000 0.893 2560 L HN 0.374 nan 8.230 nan 0.000 0.432 2561 L N -1.061 120.138 121.223 -0.039 0.000 2.127 2561 L HA -0.219 4.121 4.340 0.000 0.000 0.211 2561 L C 2.341 179.182 176.870 -0.048 0.000 1.089 2561 L CA 1.283 56.105 54.840 -0.030 0.000 0.757 2561 L CB -0.842 41.189 42.059 -0.046 0.000 0.899 2561 L HN 0.318 nan 8.230 nan 0.000 0.434 2562 T N -0.191 114.316 114.554 -0.079 0.000 2.812 2562 T HA -0.098 4.253 4.350 0.000 0.000 0.264 2562 T C 1.886 176.525 174.700 -0.101 0.000 1.042 2562 T CA 0.763 62.815 62.100 -0.080 0.000 1.140 2562 T CB -0.053 68.766 68.868 -0.082 0.000 0.870 2562 T HN 0.019 nan 8.240 nan 0.000 0.445 2563 L N 2.087 123.194 121.223 -0.194 0.000 2.017 2563 L HA -0.011 4.329 4.340 0.000 0.000 0.208 2563 L C 2.261 179.103 176.870 -0.046 0.000 1.073 2563 L CA 1.463 56.140 54.840 -0.271 0.000 0.745 2563 L CB -1.491 40.050 42.059 -0.862 0.000 0.894 2563 L HN 0.192 nan 8.230 nan 0.000 0.432 2564 N N -0.085 118.647 118.700 0.054 0.000 2.060 2564 N HA -0.250 4.490 4.740 0.000 0.000 0.195 2564 N C 1.876 177.426 175.510 0.067 0.000 1.028 2564 N CA 1.375 54.512 53.050 0.145 0.000 0.861 2564 N CB -0.175 38.378 38.487 0.109 0.000 1.029 2564 N HN 0.351 nan 8.380 nan 0.000 0.428 2565 E N 0.221 120.433 120.200 0.021 0.000 2.204 2565 E HA -0.019 4.331 4.350 0.000 0.000 0.194 2565 E C 1.607 178.212 176.600 0.008 0.000 0.989 2565 E CA 0.525 56.930 56.400 0.008 0.000 0.824 2565 E CB 0.143 29.837 29.700 -0.010 0.000 0.756 2565 E HN 0.128 nan 8.360 nan 0.000 0.477 2566 V N -0.443 119.473 119.914 0.004 0.000 2.581 2566 V HA 0.019 4.139 4.120 0.000 0.000 0.240 2566 V C 1.943 178.054 176.094 0.027 0.000 1.054 2566 V CA 0.933 63.236 62.300 0.005 0.000 1.076 2566 V CB -0.067 31.747 31.823 -0.015 0.000 0.748 2566 V HN 0.221 nan 8.190 nan 0.000 0.474 2567 L N -0.159 121.098 121.223 0.056 0.000 2.556 2567 L HA 0.555 4.895 4.340 0.000 0.000 0.226 2567 L C 1.057 177.994 176.870 0.112 0.000 1.089 2567 L CA 0.704 55.602 54.840 0.097 0.000 0.864 2567 L CB -0.036 42.121 42.059 0.163 0.000 1.067 2567 L HN 0.500 nan 8.230 nan 0.000 0.477 2568 G N -0.027 108.845 108.800 0.119 0.000 2.705 2568 G HA2 -0.239 3.721 3.960 0.000 0.000 0.686 2568 G HA3 -0.239 3.721 3.960 0.000 0.000 0.686 2568 G C 0.452 175.418 174.900 0.110 0.000 1.285 2568 G CA -0.243 44.910 45.100 0.089 0.000 0.800 2568 G HN 0.032 nan 8.290 nan 0.000 0.611 2569 T N 0.591 115.173 114.554 0.045 0.000 2.685 2569 T HA -0.172 4.178 4.350 0.000 0.000 0.268 2569 T C 1.670 176.235 174.700 -0.225 0.000 1.034 2569 T CA 1.787 63.854 62.100 -0.056 0.000 1.149 2569 T CB -0.175 68.664 68.868 -0.049 0.000 0.860 2569 T HN 0.625 nan 8.240 nan 0.000 0.449 2570 N N 0.917 119.541 118.700 -0.127 0.000 2.346 2570 N HA 0.181 4.921 4.740 0.000 0.000 0.225 2570 N C 1.326 176.775 175.510 -0.102 0.000 1.144 2570 N CA 0.126 53.093 53.050 -0.140 0.000 0.837 2570 N CB 0.530 38.971 38.487 -0.076 0.000 1.069 2570 N HN 0.494 nan 8.380 nan 0.000 0.487 2571 G N -0.140 108.612 108.800 -0.080 0.000 2.921 2571 G HA2 0.075 4.035 3.960 0.000 0.000 0.213 2571 G HA3 0.075 4.035 3.960 0.000 0.000 0.213 2571 G C 0.054 175.029 174.900 0.125 0.000 1.143 2571 G CA 0.206 45.340 45.100 0.057 0.000 0.764 2571 G HN 0.361 nan 8.290 nan 0.000 0.542 2572 Y N -2.025 118.273 120.300 -0.003 0.000 2.670 2572 Y HA 0.810 5.360 4.550 0.000 0.000 0.334 2572 Y C -0.918 174.981 175.900 -0.002 0.000 1.185 2572 Y CA -2.369 55.730 58.100 -0.002 0.000 1.053 2572 Y CB 1.115 39.574 38.460 -0.002 0.000 1.298 2572 Y HN -0.081 nan 8.280 nan 0.000 0.459 2573 R N 1.391 121.936 120.500 0.075 0.000 2.532 2573 R HA 0.735 5.075 4.340 0.000 0.000 0.297 2573 R C -2.179 174.195 176.300 0.123 0.000 0.984 2573 R CA -0.874 55.231 56.100 0.010 0.000 0.884 2573 R CB 2.130 32.428 30.300 -0.004 0.000 1.182 2573 R HN 0.744 nan 8.270 nan 0.000 0.442 2574 V N 6.739 126.719 119.914 0.110 0.000 2.385 2574 V HA 0.117 4.237 4.120 0.000 0.000 0.269 2574 V C 0.642 176.771 176.094 0.059 0.000 1.043 2574 V CA -0.310 62.058 62.300 0.114 0.000 0.906 2574 V CB 1.252 33.149 31.823 0.122 0.000 0.995 2574 V HN 0.768 nan 8.190 nan 0.000 0.467 2575 L N 2.834 124.087 121.223 0.050 0.000 2.202 2575 L HA 0.328 4.668 4.340 0.000 0.000 0.205 2575 L C 0.700 177.586 176.870 0.027 0.000 1.083 2575 L CA 1.270 56.129 54.840 0.032 0.000 0.790 2575 L CB -0.361 41.715 42.059 0.028 0.000 0.942 2575 L HN 0.703 nan 8.230 nan 0.000 0.452 2576 D N -1.236 119.182 120.400 0.030 0.000 2.654 2576 D HA 0.521 5.161 4.640 0.000 0.000 0.231 2576 D C -1.053 175.263 176.300 0.027 0.000 1.239 2576 D CA -0.541 53.474 54.000 0.024 0.000 0.790 2576 D CB 1.777 42.589 40.800 0.019 0.000 1.480 2576 D HN 0.091 nan 8.370 nan 0.000 0.442 2577 R N 0.173 120.687 120.500 0.024 0.000 2.664 2577 R HA 0.719 5.059 4.340 0.000 0.000 0.266 2577 R C -1.832 174.481 176.300 0.022 0.000 1.046 2577 R CA -0.925 55.190 56.100 0.024 0.000 0.885 2577 R CB 0.769 31.087 30.300 0.030 0.000 1.254 2577 R HN 0.128 nan 8.270 nan 0.000 0.465 2578 V N 1.192 121.119 119.914 0.021 0.000 2.973 2578 V HA 0.340 4.460 4.120 0.000 0.000 0.314 2578 V C -0.208 175.901 176.094 0.025 0.000 1.066 2578 V CA -0.666 61.646 62.300 0.020 0.000 1.021 2578 V CB 1.909 33.742 31.823 0.017 0.000 1.076 2578 V HN 0.718 nan 8.190 nan 0.000 0.462 2579 E N 1.520 121.735 120.200 0.025 0.000 2.313 2579 E HA 0.268 4.618 4.350 0.000 0.000 0.272 2579 E C -0.829 175.792 176.600 0.035 0.000 1.038 2579 E CA -0.553 55.866 56.400 0.031 0.000 0.863 2579 E CB 0.763 30.480 29.700 0.028 0.000 1.060 2579 E HN 0.548 nan 8.360 nan 0.000 0.402 2580 D N -0.127 120.304 120.400 0.052 0.000 2.443 2580 D HA 0.287 4.927 4.640 0.000 0.000 0.239 2580 D C 1.129 177.446 176.300 0.028 0.000 1.136 2580 D CA 1.530 55.566 54.000 0.060 0.000 0.879 2580 D CB 0.633 41.510 40.800 0.129 0.000 1.195 2580 D HN 0.606 nan 8.370 nan 0.000 0.443 2581 G N 1.107 109.909 108.800 0.003 0.000 2.194 2581 G HA2 -0.150 3.810 3.960 0.000 0.000 0.236 2581 G HA3 -0.150 3.810 3.960 0.000 0.000 0.236 2581 G C 0.436 175.333 174.900 -0.006 0.000 0.987 2581 G CA 0.182 45.273 45.100 -0.016 0.000 0.635 2581 G HN 0.826 nan 8.290 nan 0.000 0.520 2582 A N 0.708 123.530 122.820 0.004 0.000 2.401 2582 A HA 0.675 4.995 4.320 0.000 0.000 0.259 2582 A C 0.762 178.347 177.584 0.002 0.000 1.103 2582 A CA -0.100 51.940 52.037 0.005 0.000 0.789 2582 A CB 0.351 19.357 19.000 0.009 0.000 1.035 2582 A HN 0.335 nan 8.150 nan 0.000 0.491 2583 R N 1.692 122.193 120.500 0.001 0.000 2.234 2583 R HA 0.434 4.774 4.340 0.000 0.000 0.324 2583 R C -1.168 175.133 176.300 0.002 0.000 1.054 2583 R CA -0.045 56.055 56.100 0.000 0.000 0.912 2583 R CB 1.045 31.346 30.300 0.000 0.000 1.030 2583 R HN 0.485 nan 8.270 nan 0.000 0.455 2584 V N 6.621 126.536 119.914 0.002 0.000 2.735 2584 V HA 0.457 4.577 4.120 0.000 0.000 0.310 2584 V C -2.013 174.082 176.094 0.002 0.000 1.061 2584 V CA -1.889 60.412 62.300 0.003 0.000 0.913 2584 V CB 2.675 34.500 31.823 0.004 0.000 1.005 2584 V HN 0.702 nan 8.190 nan 0.000 0.428 2585 P HA 0.452 nan 4.420 nan 0.000 0.284 2585 P C -2.537 174.764 177.300 0.002 0.000 1.287 2585 P CA -1.725 61.376 63.100 0.001 0.000 0.824 2585 P CB 1.107 32.807 31.700 0.001 0.000 1.180 2586 P HA -0.171 nan 4.420 nan 0.000 0.203 2586 P C 1.219 178.520 177.300 0.002 0.000 1.087 2586 P CA 2.084 65.186 63.100 0.002 0.000 0.952 2586 P CB -0.737 30.964 31.700 0.001 0.000 0.758 2587 G N -0.638 108.164 108.800 0.002 0.000 3.375 2587 G HA2 0.017 3.977 3.960 0.000 0.000 0.247 2587 G HA3 0.017 3.977 3.960 0.000 0.000 0.247 2587 G C 0.012 174.914 174.900 0.004 0.000 1.343 2587 G CA -0.029 45.072 45.100 0.003 0.000 1.368 2587 G HN 0.187 nan 8.290 nan 0.000 0.549 2588 E N 0.777 120.979 120.200 0.004 0.000 2.354 2588 E HA 0.523 4.873 4.350 0.000 0.000 0.269 2588 E C 0.203 176.806 176.600 0.006 0.000 1.036 2588 E CA -0.381 56.022 56.400 0.005 0.000 0.876 2588 E CB 1.019 30.722 29.700 0.005 0.000 1.009 2588 E HN 0.147 nan 8.360 nan 0.000 0.416 2589 A N 5.687 128.511 122.820 0.007 0.000 2.279 2589 A HA 0.282 4.602 4.320 0.000 0.000 0.306 2589 A C 0.713 178.302 177.584 0.009 0.000 1.300 2589 A CA -0.414 51.628 52.037 0.007 0.000 0.925 2589 A CB 0.000 19.005 19.000 0.008 0.000 1.152 2589 A HN 0.841 nan 8.150 nan 0.000 0.544 2590 L N 1.792 123.021 121.223 0.009 0.000 2.109 2590 L HA 0.161 4.501 4.340 0.000 0.000 0.207 2590 L C 1.023 177.901 176.870 0.013 0.000 1.086 2590 L CA 0.911 55.758 54.840 0.011 0.000 0.760 2590 L CB -0.182 41.883 42.059 0.011 0.000 0.910 2590 L HN 0.763 nan 8.230 nan 0.000 0.437 2591 M N -0.767 118.840 119.600 0.011 0.000 2.325 2591 M HA 0.314 4.794 4.480 0.000 0.000 0.285 2591 M C -1.650 174.658 176.300 0.014 0.000 1.119 2591 M CA -0.156 55.153 55.300 0.015 0.000 0.959 2591 M CB 2.420 35.027 32.600 0.011 0.000 1.737 2591 M HN -0.271 nan 8.290 nan 0.000 0.486 2592 T N 5.816 120.383 114.554 0.021 0.000 2.792 2592 T HA 0.758 5.108 4.350 0.000 0.000 0.280 2592 T C -0.977 173.743 174.700 0.035 0.000 0.990 2592 T CA -0.596 61.517 62.100 0.022 0.000 0.960 2592 T CB 1.005 69.885 68.868 0.020 0.000 0.939 2592 T HN 0.565 nan 8.240 nan 0.000 0.439 2593 L N 0.415 121.660 121.223 0.037 0.000 2.322 2593 L HA 0.874 5.214 4.340 0.000 0.000 0.252 2593 L C -0.605 176.301 176.870 0.060 0.000 1.055 2593 L CA -1.123 53.755 54.840 0.064 0.000 0.849 2593 L CB 1.622 43.731 42.059 0.083 0.000 1.446 2593 L HN 0.507 nan 8.230 nan 0.000 0.416 2594 E N 0.039 120.291 120.200 0.086 0.000 2.224 2594 E HA 0.834 5.184 4.350 0.000 0.000 0.265 2594 E C -1.513 175.149 176.600 0.104 0.000 0.878 2594 E CA -0.653 55.788 56.400 0.069 0.000 0.759 2594 E CB 1.883 31.613 29.700 0.051 0.000 1.164 2594 E HN 1.065 nan 8.360 nan 0.000 0.414 2595 A N 3.708 126.577 122.820 0.082 0.000 2.586 2595 A HA 0.281 4.602 4.320 0.000 0.000 0.290 2595 A C -1.247 176.372 177.584 0.058 0.000 1.086 2595 A CA -0.762 51.336 52.037 0.101 0.000 0.665 2595 A CB 1.529 20.602 19.000 0.122 0.000 1.279 2595 A HN 0.616 nan 8.150 nan 0.000 0.423 2596 Q N 0.362 120.196 119.800 0.057 0.000 2.300 2596 Q HA 0.122 4.462 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 0.908 56.733 55.803 0.036 0.000 0.903 2596 Q CB 0.512 29.271 28.738 0.035 0.000 1.195 2596 Q HN 0.782 nan 8.270 nan 0.000 0.386 2597 T N 4.665 119.230 114.554 0.018 0.000 2.684 2597 T HA -0.185 4.165 4.350 0.000 0.000 0.267 2597 T C 1.526 176.230 174.700 0.007 0.000 1.036 2597 T CA 1.624 63.731 62.100 0.011 0.000 1.148 2597 T CB -0.031 68.842 68.868 0.010 0.000 0.863 2597 T HN 0.604 nan 8.240 nan 0.000 0.436 2598 R N 0.438 120.943 120.500 0.009 0.000 2.091 2598 R HA -0.046 4.294 4.340 0.000 0.000 0.238 2598 R C 2.932 179.235 176.300 0.004 0.000 1.136 2598 R CA 1.361 57.465 56.100 0.007 0.000 0.959 2598 R CB -0.755 29.550 30.300 0.008 0.000 0.856 2598 R HN 0.471 nan 8.270 nan 0.000 0.437 2599 G N 0.919 109.724 108.800 0.007 0.000 2.422 2599 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 2599 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 2599 G C 1.444 176.336 174.900 -0.013 0.000 1.146 2599 G CA 0.331 45.432 45.100 0.002 0.000 0.769 2599 G HN 0.124 nan 8.290 nan 0.000 0.547 2600 L N -0.464 120.751 121.223 -0.013 0.000 2.027 2600 L HA -0.024 4.316 4.340 0.000 0.000 0.206 2600 L C 2.739 179.596 176.870 -0.022 0.000 1.074 2600 L CA 0.378 55.202 54.840 -0.027 0.000 0.745 2600 L CB -0.308 41.740 42.059 -0.018 0.000 0.898 2600 L HN 0.138 nan 8.230 nan 0.000 0.433 2601 L N -0.676 120.540 121.223 -0.011 0.000 2.131 2601 L HA -0.168 4.172 4.340 0.000 0.000 0.210 2601 L C 2.497 179.363 176.870 -0.007 0.000 1.092 2601 L CA 1.794 56.629 54.840 -0.008 0.000 0.759 2601 L CB -1.171 40.887 42.059 -0.002 0.000 0.903 2601 L HN 0.210 nan 8.230 nan 0.000 0.435 2602 T N -1.075 113.475 114.554 -0.007 0.000 2.851 2602 T HA -0.008 4.342 4.350 0.000 0.000 0.262 2602 T C 1.919 176.611 174.700 -0.012 0.000 1.043 2602 T CA 1.020 63.117 62.100 -0.005 0.000 1.140 2602 T CB -0.122 68.744 68.868 -0.002 0.000 0.872 2602 T HN 0.363 nan 8.240 nan 0.000 0.446 2603 A N 1.304 124.110 122.820 -0.024 0.000 1.968 2603 A HA -0.024 4.296 4.320 0.000 0.000 0.217 2603 A C 2.071 179.634 177.584 -0.035 0.000 1.169 2603 A CA 1.525 53.540 52.037 -0.036 0.000 0.638 2603 A CB -0.551 18.413 19.000 -0.059 0.000 0.812 2603 A HN 0.588 nan 8.150 nan 0.000 0.446 2604 E N -0.154 120.029 120.200 -0.029 0.000 2.110 2604 E HA -0.378 3.972 4.350 0.000 0.000 0.225 2604 E C 2.223 178.812 176.600 -0.018 0.000 1.063 2604 E CA 2.140 58.525 56.400 -0.024 0.000 0.906 2604 E CB -0.175 29.515 29.700 -0.017 0.000 0.795 2604 E HN 0.408 nan 8.360 nan 0.000 0.479 2605 R N 0.109 120.602 120.500 -0.011 0.000 2.091 2605 R HA -0.096 4.244 4.340 0.000 0.000 0.238 2605 R C 2.303 178.598 176.300 -0.009 0.000 1.136 2605 R CA 2.402 58.499 56.100 -0.006 0.000 0.959 2605 R CB -1.106 29.194 30.300 -0.001 0.000 0.856 2605 R HN 0.248 nan 8.270 nan 0.000 0.437 2606 T N 0.909 115.455 114.554 -0.014 0.000 2.746 2606 T HA -0.160 4.190 4.350 0.000 0.000 0.267 2606 T C 1.706 176.392 174.700 -0.024 0.000 1.039 2606 T CA 1.672 63.760 62.100 -0.020 0.000 1.142 2606 T CB -0.233 68.621 68.868 -0.024 0.000 0.866 2606 T HN 0.383 nan 8.240 nan 0.000 0.444 2607 M N 0.384 119.966 119.600 -0.029 0.000 2.077 2607 M HA -0.057 4.423 4.480 0.000 0.000 0.261 2607 M C 1.830 178.120 176.300 -0.017 0.000 1.070 2607 M CA 1.545 56.825 55.300 -0.034 0.000 1.125 2607 M CB -0.218 32.352 32.600 -0.050 0.000 1.339 2607 M HN 0.107 nan 8.290 nan 0.000 0.409 2608 L N 1.581 122.797 121.223 -0.011 0.000 2.046 2608 L HA -0.194 4.146 4.340 0.000 0.000 0.208 2608 L C 2.167 179.045 176.870 0.014 0.000 1.077 2608 L CA 1.702 56.542 54.840 0.001 0.000 0.747 2608 L CB -1.743 40.316 42.059 0.000 0.000 0.896 2608 L HN 0.400 nan 8.230 nan 0.000 0.432 2609 N N -0.880 117.826 118.700 0.010 0.000 2.166 2609 N HA -0.159 4.582 4.740 0.000 0.000 0.186 2609 N C 1.761 177.292 175.510 0.034 0.000 1.019 2609 N CA 0.882 53.944 53.050 0.019 0.000 0.856 2609 N CB -0.265 38.222 38.487 0.000 0.000 0.993 2609 N HN 0.130 nan 8.380 nan 0.000 0.426 2610 L N 0.612 121.845 121.223 0.016 0.000 2.023 2610 L HA -0.016 4.324 4.340 0.000 0.000 0.205 2610 L C 2.377 179.287 176.870 0.067 0.000 1.073 2610 L CA 1.124 55.980 54.840 0.027 0.000 0.745 2610 L CB -1.351 40.704 42.059 -0.007 0.000 0.900 2610 L HN 0.107 nan 8.230 nan 0.000 0.435 2611 V N -1.793 118.147 119.914 0.043 0.000 2.515 2611 V HA -0.016 4.104 4.120 0.000 0.000 0.250 2611 V C 2.270 178.396 176.094 0.054 0.000 1.058 2611 V CA 1.662 63.990 62.300 0.048 0.000 1.064 2611 V CB -1.167 30.672 31.823 0.026 0.000 0.675 2611 V HN 0.352 nan 8.190 nan 0.000 0.461 2612 G N -0.652 108.182 108.800 0.056 0.000 2.402 2612 G HA2 -0.293 3.667 3.960 0.000 0.000 0.216 2612 G HA3 -0.293 3.667 3.960 0.000 0.000 0.216 2612 G C 1.429 176.368 174.900 0.066 0.000 1.162 2612 G CA 1.123 46.253 45.100 0.050 0.000 0.777 2612 G HN 0.748 nan 8.290 nan 0.000 0.539 2613 H N 0.451 119.525 119.070 0.007 0.000 2.293 2613 H HA 0.098 4.654 4.556 0.000 0.000 0.300 2613 H C 2.537 177.871 175.328 0.010 0.000 1.082 2613 H CA 1.426 57.479 56.048 0.008 0.000 1.308 2613 H CB -0.222 29.543 29.762 0.005 0.000 1.375 2613 H HN 0.227 nan 8.280 nan 0.000 0.495 2614 L N -0.524 120.771 121.223 0.121 0.000 2.083 2614 L HA -0.154 4.187 4.340 0.000 0.000 0.209 2614 L C 2.507 179.371 176.870 -0.011 0.000 1.083 2614 L CA 1.346 56.224 54.840 0.062 0.000 0.752 2614 L CB -0.466 41.674 42.059 0.135 0.000 0.899 2614 L HN 0.299 nan 8.230 nan 0.000 0.433 2615 S N 0.139 115.839 115.700 0.000 0.000 2.387 2615 S HA -0.074 4.396 4.470 0.000 0.000 0.226 2615 S C 2.068 176.642 174.600 -0.043 0.000 1.026 2615 S CA 1.029 59.221 58.200 -0.013 0.000 0.972 2615 S CB -0.418 62.784 63.200 0.003 0.000 0.814 2615 S HN 0.591 nan 8.310 nan 0.000 0.477 2616 G N 2.010 110.769 108.800 -0.068 0.000 2.446 2616 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 2616 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 2616 G C 1.326 176.158 174.900 -0.113 0.000 1.168 2616 G CA 0.796 45.840 45.100 -0.092 0.000 0.771 2616 G HN 0.483 nan 8.290 nan 0.000 0.551 2617 I N 1.283 121.751 120.570 -0.170 0.000 2.179 2617 I HA -0.161 4.009 4.170 0.000 0.000 0.242 2617 I C 3.302 179.366 176.117 -0.089 0.000 1.088 2617 I CA 1.012 62.223 61.300 -0.148 0.000 1.357 2617 I CB -0.255 37.645 38.000 -0.168 0.000 1.051 2617 I HN 0.252 nan 8.210 nan 0.000 0.409 2618 A N 0.284 123.057 122.820 -0.079 0.000 1.933 2618 A HA -0.185 4.135 4.320 0.000 0.000 0.218 2618 A C 2.369 179.934 177.584 -0.032 0.000 1.175 2618 A CA 2.331 54.328 52.037 -0.067 0.000 0.628 2618 A CB -1.019 17.936 19.000 -0.076 0.000 0.814 2618 A HN 0.382 nan 8.150 nan 0.000 0.444 2619 T N 0.322 114.862 114.554 -0.024 0.000 2.674 2619 T HA -0.040 4.310 4.350 0.000 0.000 0.265 2619 T C 2.276 176.991 174.700 0.025 0.000 1.039 2619 T CA 1.744 63.842 62.100 -0.004 0.000 1.150 2619 T CB -0.510 68.353 68.868 -0.009 0.000 0.864 2619 T HN 0.599 nan 8.240 nan 0.000 0.427 2620 A N 1.402 124.243 122.820 0.034 0.000 1.877 2620 A HA -0.143 4.177 4.320 0.000 0.000 0.216 2620 A C 2.611 180.316 177.584 0.203 0.000 1.186 2620 A CA 2.476 54.581 52.037 0.112 0.000 0.620 2620 A CB -1.428 17.629 19.000 0.094 0.000 0.822 2620 A HN 0.582 nan 8.150 nan 0.000 0.443 2621 T N -1.382 113.225 114.554 0.089 0.000 2.881 2621 T HA 0.025 4.375 4.350 0.000 0.000 0.270 2621 T C 1.775 176.552 174.700 0.127 0.000 1.068 2621 T CA 1.893 64.043 62.100 0.083 0.000 1.131 2621 T CB -0.438 68.409 68.868 -0.036 0.000 0.871 2621 T HN 0.572 nan 8.240 nan 0.000 0.479 2622 A N 0.739 123.608 122.820 0.081 0.000 2.014 2622 A HA 0.510 4.830 4.320 0.000 0.000 0.218 2622 A C 2.757 180.389 177.584 0.079 0.000 1.163 2622 A CA 1.430 53.504 52.037 0.062 0.000 0.652 2622 A CB -1.121 17.894 19.000 0.024 0.000 0.808 2622 A HN 0.752 nan 8.150 nan 0.000 0.449 2623 A N -0.994 121.884 122.820 0.096 0.000 1.873 2623 A HA -0.099 4.221 4.320 0.000 0.000 0.215 2623 A C 1.913 179.511 177.584 0.024 0.000 1.186 2623 A CA 1.304 53.357 52.037 0.026 0.000 0.616 2623 A CB -0.851 18.133 19.000 -0.026 0.000 0.823 2623 A HN 0.699 nan 8.150 nan 0.000 0.442 2624 W N -0.232 121.057 121.300 -0.017 0.000 2.363 2624 W HA -0.091 4.569 4.660 0.000 0.000 0.296 2624 W C 2.267 178.784 176.519 -0.004 0.000 1.212 2624 W CA 1.384 58.723 57.345 -0.010 0.000 1.260 2624 W CB -0.616 28.834 29.460 -0.018 0.000 1.131 2624 W HN 0.122 nan 8.180 nan 0.000 0.530 2625 V N 0.329 120.383 119.914 0.233 0.000 2.407 2625 V HA -0.279 3.841 4.120 0.000 0.000 0.248 2625 V C 1.709 177.852 176.094 0.081 0.000 1.055 2625 V CA 2.124 64.504 62.300 0.132 0.000 1.049 2625 V CB -0.747 31.128 31.823 0.086 0.000 0.662 2625 V HN 0.049 nan 8.190 nan 0.000 0.455 2626 D N 0.435 120.868 120.400 0.055 0.000 2.144 2626 D HA -0.060 4.580 4.640 0.000 0.000 0.200 2626 D C 2.237 178.543 176.300 0.009 0.000 0.978 2626 D CA 1.458 55.470 54.000 0.021 0.000 0.833 2626 D CB -0.324 40.475 40.800 -0.000 0.000 0.961 2626 D HN 0.420 nan 8.370 nan 0.000 0.470 2627 A N 0.608 123.425 122.820 -0.004 0.000 1.940 2627 A HA -0.128 4.192 4.320 0.000 0.000 0.219 2627 A C 2.056 179.651 177.584 0.018 0.000 1.176 2627 A CA 1.726 53.745 52.037 -0.029 0.000 0.631 2627 A CB -0.449 18.482 19.000 -0.116 0.000 0.814 2627 A HN 0.254 nan 8.150 nan 0.000 0.446 2628 V N -2.585 117.365 119.914 0.060 0.000 3.342 2628 V HA 0.340 4.460 4.120 0.000 0.000 0.322 2628 V C 0.574 176.696 176.094 0.048 0.000 1.370 2628 V CA -0.216 62.126 62.300 0.070 0.000 1.170 2628 V CB -1.168 30.720 31.823 0.109 0.000 1.101 2628 V HN 0.430 nan 8.190 nan 0.000 0.442 2629 R N 1.162 121.683 120.500 0.034 0.000 2.623 2629 R HA 0.458 4.799 4.340 0.000 0.000 0.271 2629 R C 1.339 177.650 176.300 0.018 0.000 1.043 2629 R CA 1.306 57.420 56.100 0.024 0.000 1.083 2629 R CB 0.298 30.608 30.300 0.016 0.000 0.974 2629 R HN 0.920 nan 8.270 nan 0.000 0.436 2630 G N 1.679 110.487 108.800 0.013 0.000 2.136 2630 G HA2 -0.241 3.719 3.960 0.000 0.000 0.242 2630 G HA3 -0.241 3.719 3.960 0.000 0.000 0.242 2630 G C 0.009 174.914 174.900 0.010 0.000 0.989 2630 G CA 0.365 45.471 45.100 0.009 0.000 0.682 2630 G HN 0.695 nan 8.290 nan 0.000 0.522 2631 T N -1.208 113.354 114.554 0.012 0.000 2.887 2631 T HA 0.585 4.935 4.350 0.000 0.000 0.292 2631 T C 1.303 176.003 174.700 0.000 0.000 1.087 2631 T CA -0.002 62.105 62.100 0.011 0.000 1.009 2631 T CB 1.365 70.248 68.868 0.026 0.000 1.203 2631 T HN 0.350 nan 8.240 nan 0.000 0.518 2632 K N 0.519 120.910 120.400 -0.015 0.000 2.379 2632 K HA 0.492 4.813 4.320 0.000 0.000 0.194 2632 K C 0.800 177.364 176.600 -0.059 0.000 1.031 2632 K CA -0.151 56.113 56.287 -0.037 0.000 1.037 2632 K CB 0.239 32.707 32.500 -0.054 0.000 0.824 2632 K HN 0.459 nan 8.250 nan 0.000 0.516 2633 A N 1.979 124.776 122.820 -0.037 0.000 2.520 2633 A HA 0.171 4.491 4.320 0.000 0.000 0.235 2633 A C -0.729 176.861 177.584 0.011 0.000 1.065 2633 A CA 0.114 52.130 52.037 -0.035 0.000 0.764 2633 A CB 0.151 19.168 19.000 0.028 0.000 1.002 2633 A HN 0.363 nan 8.150 nan 0.000 0.502 2634 K N 1.150 121.578 120.400 0.046 0.000 2.316 2634 K HA 0.556 4.876 4.320 0.000 0.000 0.251 2634 K C -0.810 175.901 176.600 0.186 0.000 0.934 2634 K CA -0.515 55.857 56.287 0.141 0.000 0.802 2634 K CB 1.770 34.405 32.500 0.224 0.000 1.171 2634 K HN 0.507 nan 8.250 nan 0.000 0.426 2635 I N 3.157 123.791 120.570 0.107 0.000 2.365 2635 I HA 0.330 4.500 4.170 0.000 0.000 0.291 2635 I C 0.233 176.339 176.117 -0.019 0.000 1.004 2635 I CA -0.272 61.046 61.300 0.030 0.000 1.311 2635 I CB 0.723 38.730 38.000 0.011 0.000 1.401 2635 I HN 0.485 nan 8.210 nan 0.000 0.491 2636 R N 3.676 124.133 120.500 -0.071 0.000 2.854 2636 R HA 0.455 4.795 4.340 0.000 0.000 0.271 2636 R C -0.899 175.332 176.300 -0.115 0.000 0.994 2636 R CA -0.875 55.169 56.100 -0.095 0.000 0.945 2636 R CB 2.158 32.371 30.300 -0.145 0.000 1.194 2636 R HN 0.591 nan 8.270 nan 0.000 0.476 2637 D N -0.455 119.899 120.400 -0.077 0.000 2.539 2637 D HA 0.393 5.033 4.640 0.000 0.000 0.276 2637 D C 0.260 176.511 176.300 -0.082 0.000 1.206 2637 D CA -0.406 53.535 54.000 -0.099 0.000 1.081 2637 D CB 0.591 41.343 40.800 -0.081 0.000 1.142 2637 D HN 0.540 nan 8.370 nan 0.000 0.595 2638 T N -4.452 110.034 114.554 -0.113 0.000 2.693 2638 T HA 0.463 4.813 4.350 0.000 0.000 0.278 2638 T C 0.379 175.017 174.700 -0.104 0.000 0.994 2638 T CA -1.046 60.959 62.100 -0.158 0.000 1.033 2638 T CB 1.236 70.024 68.868 -0.134 0.000 1.342 2638 T HN 0.293 nan 8.240 nan 0.000 0.538 2639 R N 0.196 120.633 120.500 -0.106 0.000 2.356 2639 R HA 0.190 4.530 4.340 0.000 0.000 0.234 2639 R C 0.069 176.359 176.300 -0.015 0.000 0.929 2639 R CA -0.071 55.998 56.100 -0.051 0.000 1.084 2639 R CB 0.077 30.342 30.300 -0.058 0.000 1.105 2639 R HN 0.451 nan 8.270 nan 0.000 0.515 2640 K N 1.964 122.363 120.400 -0.003 0.000 2.187 2640 K HA 0.062 4.383 4.320 0.000 0.000 0.242 2640 K C -0.018 176.620 176.600 0.063 0.000 1.179 2640 K CA 0.076 56.392 56.287 0.049 0.000 1.097 2640 K CB 0.466 33.045 32.500 0.130 0.000 1.634 2640 K HN 0.064 nan 8.250 nan 0.000 0.335 2641 T N -1.941 112.641 114.554 0.046 0.000 2.910 2641 T HA 0.444 4.794 4.350 0.000 0.000 0.287 2641 T C -0.224 174.507 174.700 0.053 0.000 1.050 2641 T CA -1.143 60.989 62.100 0.054 0.000 1.011 2641 T CB 1.181 70.076 68.868 0.045 0.000 1.195 2641 T HN -0.034 nan 8.240 nan 0.000 0.540 2642 L N 2.612 123.865 121.223 0.051 0.000 2.312 2642 L HA 0.456 4.796 4.340 0.000 0.000 0.281 2642 L C -2.066 174.813 176.870 0.015 0.000 1.070 2642 L CA -2.502 52.354 54.840 0.027 0.000 0.805 2642 L CB 0.583 42.644 42.059 0.003 0.000 1.174 2642 L HN 0.582 nan 8.230 nan 0.000 0.434 2643 P HA 0.082 nan 4.420 nan 0.000 0.258 2643 P C 0.769 178.073 177.300 0.008 0.000 1.187 2643 P CA 0.796 63.906 63.100 0.017 0.000 0.767 2643 P CB 0.625 32.333 31.700 0.013 0.000 0.770 2644 G N 3.052 111.865 108.800 0.021 0.000 2.232 2644 G HA2 -0.251 3.709 3.960 0.000 0.000 0.226 2644 G HA3 -0.251 3.709 3.960 0.000 0.000 0.226 2644 G C 0.476 175.358 174.900 -0.030 0.000 0.996 2644 G CA 0.052 45.155 45.100 0.004 0.000 0.626 2644 G HN 0.488 nan 8.290 nan 0.000 0.509 2645 L N 0.448 121.655 121.223 -0.026 0.000 2.808 2645 L HA 0.403 4.743 4.340 0.000 0.000 0.246 2645 L C 2.225 179.089 176.870 -0.011 0.000 1.153 2645 L CA 0.344 55.157 54.840 -0.045 0.000 0.956 2645 L CB 0.256 42.276 42.059 -0.065 0.000 1.270 2645 L HN 0.257 nan 8.230 nan 0.000 0.528 2646 R N 1.645 122.160 120.500 0.024 0.000 2.096 2646 R HA -0.225 4.115 4.340 0.000 0.000 0.240 2646 R C 2.259 178.585 176.300 0.043 0.000 1.139 2646 R CA 2.010 58.146 56.100 0.060 0.000 0.952 2646 R CB -0.163 30.205 30.300 0.114 0.000 0.854 2646 R HN 0.348 nan 8.270 nan 0.000 0.436 2647 A N 0.753 123.552 122.820 -0.036 0.000 1.972 2647 A HA -0.094 4.226 4.320 0.000 0.000 0.219 2647 A C 2.207 179.729 177.584 -0.103 0.000 1.169 2647 A CA 1.253 53.197 52.037 -0.154 0.000 0.635 2647 A CB -0.412 18.133 19.000 -0.758 0.000 0.810 2647 A HN 0.383 nan 8.150 nan 0.000 0.446 2648 L N -1.198 119.966 121.223 -0.097 0.000 2.072 2648 L HA -0.189 4.151 4.340 0.000 0.000 0.205 2648 L C 2.862 179.806 176.870 0.122 0.000 1.079 2648 L CA 1.269 56.113 54.840 0.007 0.000 0.752 2648 L CB -0.614 41.426 42.059 -0.033 0.000 0.906 2648 L HN 0.460 nan 8.230 nan 0.000 0.436 2649 Q N -0.026 119.826 119.800 0.087 0.000 2.084 2649 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 2649 Q C 2.182 178.211 176.000 0.048 0.000 0.978 2649 Q CA 1.428 57.283 55.803 0.087 0.000 0.844 2649 Q CB 0.003 28.795 28.738 0.089 0.000 0.898 2649 Q HN 0.205 nan 8.270 nan 0.000 0.426 2650 K N 0.054 120.490 120.400 0.059 0.000 2.097 2650 K HA -0.164 4.156 4.320 0.000 0.000 0.205 2650 K C 1.732 178.361 176.600 0.049 0.000 1.050 2650 K CA 1.014 57.331 56.287 0.049 0.000 0.938 2650 K CB -0.395 32.155 32.500 0.083 0.000 0.718 2650 K HN 0.244 nan 8.250 nan 0.000 0.442 2651 Y N 0.439 120.727 120.300 -0.020 0.000 2.145 2651 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 2651 Y C 1.880 177.770 175.900 -0.018 0.000 1.145 2651 Y CA 1.667 59.754 58.100 -0.022 0.000 1.148 2651 Y CB -0.619 37.815 38.460 -0.044 0.000 0.981 2651 Y HN 0.041 nan 8.280 nan 0.000 0.507 2652 A N 0.157 122.861 122.820 -0.193 0.000 1.933 2652 A HA -0.148 4.172 4.320 0.000 0.000 0.218 2652 A C 2.394 179.848 177.584 -0.216 0.000 1.175 2652 A CA 2.225 54.114 52.037 -0.246 0.000 0.628 2652 A CB -1.640 17.328 19.000 -0.055 0.000 0.814 2652 A HN 0.674 nan 8.150 nan 0.000 0.444 2653 V N -1.524 118.302 119.914 -0.147 0.000 2.515 2653 V HA -0.147 3.973 4.120 0.000 0.000 0.250 2653 V C 2.200 178.215 176.094 -0.132 0.000 1.058 2653 V CA 2.203 64.430 62.300 -0.122 0.000 1.064 2653 V CB -0.807 30.956 31.823 -0.101 0.000 0.675 2653 V HN 0.538 nan 8.190 nan 0.000 0.461 2654 R N 0.075 120.479 120.500 -0.161 0.000 2.081 2654 R HA -0.115 4.225 4.340 0.000 0.000 0.235 2654 R C 2.427 178.619 176.300 -0.181 0.000 1.131 2654 R CA 2.105 58.119 56.100 -0.143 0.000 0.960 2654 R CB -0.680 29.542 30.300 -0.130 0.000 0.856 2654 R HN 0.632 nan 8.270 nan 0.000 0.436 2655 T N -0.754 113.608 114.554 -0.319 0.000 2.849 2655 T HA -0.106 4.244 4.350 0.000 0.000 0.270 2655 T C 1.518 176.130 174.700 -0.148 0.000 1.066 2655 T CA 1.357 63.286 62.100 -0.284 0.000 1.130 2655 T CB -0.206 68.388 68.868 -0.458 0.000 0.864 2655 T HN 0.511 nan 8.240 nan 0.000 0.481 2656 G N -0.237 108.487 108.800 -0.126 0.000 2.712 2656 G HA2 0.376 4.336 3.960 0.000 0.000 0.212 2656 G HA3 0.376 4.336 3.960 0.000 0.000 0.212 2656 G C 1.098 175.977 174.900 -0.034 0.000 1.142 2656 G CA 0.467 45.528 45.100 -0.065 0.000 0.789 2656 G HN 0.747 nan 8.290 nan 0.000 0.535 2657 G N -1.651 107.123 108.800 -0.043 0.000 2.192 2657 G HA2 0.059 4.019 3.960 0.000 0.000 0.193 2657 G HA3 0.059 4.019 3.960 0.000 0.000 0.193 2657 G C 0.671 175.567 174.900 -0.007 0.000 0.999 2657 G CA 0.122 45.212 45.100 -0.016 0.000 0.659 2657 G HN 0.905 nan 8.290 nan 0.000 0.503 2658 G N -0.936 107.848 108.800 -0.026 0.000 2.543 2658 G HA2 0.768 4.728 3.960 0.000 0.000 0.290 2658 G HA3 0.768 4.728 3.960 0.000 0.000 0.290 2658 G C 0.025 174.911 174.900 -0.024 0.000 1.310 2658 G CA 0.149 45.235 45.100 -0.023 0.000 1.025 2658 G HN 1.613 nan 8.290 nan 0.000 0.502 2659 V N -1.245 118.655 119.914 -0.025 0.000 2.638 2659 V HA 0.535 4.655 4.120 0.000 0.000 0.306 2659 V C -0.804 175.253 176.094 -0.062 0.000 1.052 2659 V CA -1.475 60.807 62.300 -0.030 0.000 0.885 2659 V CB 1.593 33.416 31.823 -0.001 0.000 0.999 2659 V HN 0.555 nan 8.190 nan 0.000 0.424 2660 N N 3.097 121.772 118.700 -0.042 0.000 2.492 2660 N HA 0.251 4.991 4.740 0.000 0.000 0.260 2660 N C -0.211 175.274 175.510 -0.042 0.000 1.215 2660 N CA 0.283 53.320 53.050 -0.021 0.000 0.923 2660 N CB 0.470 38.966 38.487 0.015 0.000 1.092 2660 N HN 1.035 nan 8.380 nan 0.000 0.448 2661 H N 0.162 119.167 119.070 -0.109 0.000 2.885 2661 H HA 0.306 4.862 4.556 0.000 0.000 0.263 2661 H C 0.368 175.651 175.328 -0.075 0.000 1.564 2661 H CA -0.922 55.047 56.048 -0.132 0.000 1.632 2661 H CB 0.882 30.562 29.762 -0.137 0.000 1.650 2661 H HN 0.504 nan 8.280 nan 0.000 0.928 2662 R N 0.708 121.402 120.500 0.323 0.000 2.734 2662 R HA 0.032 4.373 4.340 0.000 0.000 0.266 2662 R C 0.047 176.392 176.300 0.075 0.000 1.044 2662 R CA 0.008 56.191 56.100 0.139 0.000 1.128 2662 R CB 0.271 30.649 30.300 0.130 0.000 1.010 2662 R HN 0.542 nan 8.270 nan 0.000 0.461 2663 L N 0.803 122.062 121.223 0.060 0.000 2.509 2663 L HA 0.262 4.602 4.340 0.000 0.000 0.222 2663 L C 1.083 177.982 176.870 0.049 0.000 1.123 2663 L CA 0.714 55.597 54.840 0.071 0.000 0.856 2663 L CB -0.021 42.095 42.059 0.095 0.000 0.985 2663 L HN 1.019 nan 8.230 nan 0.000 0.456 2664 G N -2.013 106.800 108.800 0.021 0.000 2.490 2664 G HA2 0.294 4.254 3.960 0.000 0.000 0.308 2664 G HA3 0.294 4.254 3.960 0.000 0.000 0.308 2664 G C -0.492 174.407 174.900 -0.001 0.000 1.286 2664 G CA -0.673 44.431 45.100 0.007 0.000 0.825 2664 G HN -0.324 nan 8.290 nan 0.000 0.479 2665 L N 0.824 122.044 121.223 -0.004 0.000 2.141 2665 L HA 0.191 4.531 4.340 0.000 0.000 0.209 2665 L C 2.735 179.599 176.870 -0.011 0.000 1.094 2665 L CA 2.563 57.402 54.840 -0.003 0.000 0.763 2665 L CB -0.819 41.241 42.059 0.002 0.000 0.908 2665 L HN 0.738 nan 8.230 nan 0.000 0.437 2666 G N -2.295 106.493 108.800 -0.020 0.000 2.986 2666 G HA2 -0.123 3.837 3.960 0.000 0.000 0.213 2666 G HA3 -0.123 3.837 3.960 0.000 0.000 0.213 2666 G C 1.285 176.170 174.900 -0.025 0.000 1.156 2666 G CA 0.105 45.190 45.100 -0.026 0.000 0.763 2666 G HN 0.286 nan 8.290 nan 0.000 0.547 2667 D N 0.854 121.242 120.400 -0.019 0.000 2.116 2667 D HA 0.038 4.678 4.640 0.000 0.000 0.193 2667 D C 1.043 177.339 176.300 -0.006 0.000 0.998 2667 D CA 1.449 55.440 54.000 -0.013 0.000 0.836 2667 D CB 0.213 41.014 40.800 0.002 0.000 0.951 2667 D HN 0.308 nan 8.370 nan 0.000 0.449 2668 A N -1.227 121.593 122.820 0.002 0.000 2.586 2668 A HA 0.606 4.926 4.320 0.000 0.000 0.291 2668 A C -1.343 176.244 177.584 0.005 0.000 1.062 2668 A CA -0.056 51.983 52.037 0.004 0.000 0.666 2668 A CB 1.013 20.023 19.000 0.017 0.000 1.281 2668 A HN 0.160 nan 8.150 nan 0.000 0.421 2669 A N 0.144 122.963 122.820 -0.002 0.000 2.304 2669 A HA 0.777 5.097 4.320 0.000 0.000 0.301 2669 A C -0.632 176.960 177.584 0.013 0.000 1.132 2669 A CA -0.312 51.717 52.037 -0.013 0.000 0.819 2669 A CB 0.608 19.587 19.000 -0.034 0.000 1.094 2669 A HN 1.572 nan 8.150 nan 0.000 0.492 2670 L N 3.129 124.362 121.223 0.016 0.000 2.555 2670 L HA 0.404 4.744 4.340 0.000 0.000 0.264 2670 L C -1.323 175.599 176.870 0.086 0.000 0.972 2670 L CA -0.394 54.476 54.840 0.050 0.000 0.876 2670 L CB 1.066 43.154 42.059 0.049 0.000 1.216 2670 L HN 0.700 nan 8.230 nan 0.000 0.415 2671 I N 4.597 125.215 120.570 0.079 0.000 2.363 2671 I HA 0.184 4.354 4.170 0.000 0.000 0.292 2671 I C 0.245 176.473 176.117 0.186 0.000 1.075 2671 I CA -0.050 61.344 61.300 0.156 0.000 1.333 2671 I CB 0.495 38.535 38.000 0.067 0.000 1.415 2671 I HN 0.517 nan 8.210 nan 0.000 0.502 2672 K N 4.253 124.828 120.400 0.292 0.000 2.240 2672 K HA 0.168 4.489 4.320 0.000 0.000 0.237 2672 K C 0.911 177.505 176.600 -0.011 0.000 1.027 2672 K CA -0.709 55.608 56.287 0.050 0.000 0.937 2672 K CB 0.847 33.297 32.500 -0.083 0.000 1.171 2672 K HN 0.558 nan 8.250 nan 0.000 0.479 2673 D N 0.399 120.771 120.400 -0.046 0.000 2.149 2673 D HA -0.223 4.418 4.640 0.000 0.000 0.198 2673 D C 0.777 177.035 176.300 -0.070 0.000 0.990 2673 D CA 1.565 55.544 54.000 -0.035 0.000 0.839 2673 D CB -0.337 40.446 40.800 -0.028 0.000 0.948 2673 D HN 0.327 nan 8.370 nan 0.000 0.460 2674 N N 0.208 118.806 118.700 -0.170 0.000 2.453 2674 N HA -0.107 4.633 4.740 0.000 0.000 0.183 2674 N C 1.571 176.988 175.510 -0.154 0.000 1.041 2674 N CA 0.686 53.626 53.050 -0.184 0.000 0.900 2674 N CB -0.268 38.080 38.487 -0.232 0.000 0.961 2674 N HN 0.484 nan 8.380 nan 0.000 0.443 2675 H N -0.241 118.829 119.070 -0.001 0.000 2.415 2675 H HA 0.149 4.705 4.556 0.000 0.000 0.297 2675 H C 2.165 177.494 175.328 0.003 0.000 1.048 2675 H CA 0.354 56.401 56.048 -0.000 0.000 1.365 2675 H CB -0.251 29.510 29.762 -0.001 0.000 1.421 2675 H HN -0.055 nan 8.280 nan 0.000 0.533 2676 V N 1.581 121.569 119.914 0.123 0.000 2.332 2676 V HA -0.268 3.852 4.120 0.000 0.000 0.248 2676 V C 2.805 178.927 176.094 0.048 0.000 1.055 2676 V CA 1.634 63.978 62.300 0.072 0.000 1.038 2676 V CB -1.023 30.832 31.823 0.053 0.000 0.651 2676 V HN 0.451 nan 8.190 nan 0.000 0.450 2677 A N 0.104 122.944 122.820 0.033 0.000 1.851 2677 A HA -0.186 4.134 4.320 0.000 0.000 0.216 2677 A C 2.461 180.061 177.584 0.027 0.000 1.195 2677 A CA 2.431 54.481 52.037 0.021 0.000 0.622 2677 A CB -1.021 17.983 19.000 0.007 0.000 0.831 2677 A HN 0.592 nan 8.150 nan 0.000 0.444 2678 A N -0.400 122.442 122.820 0.036 0.000 1.908 2678 A HA 0.148 4.468 4.320 0.000 0.000 0.218 2678 A C 2.406 180.012 177.584 0.037 0.000 1.181 2678 A CA 2.190 54.250 52.037 0.038 0.000 0.627 2678 A CB -0.946 18.087 19.000 0.056 0.000 0.818 2678 A HN 1.195 nan 8.150 nan 0.000 0.445 2679 A N -2.251 120.596 122.820 0.045 0.000 2.167 2679 A HA 0.371 4.691 4.320 0.000 0.000 0.214 2679 A C 2.136 179.735 177.584 0.026 0.000 1.151 2679 A CA 1.326 53.383 52.037 0.033 0.000 0.735 2679 A CB -0.919 18.102 19.000 0.036 0.000 0.802 2679 A HN 1.887 nan 8.150 nan 0.000 0.467 2680 G N -1.377 107.439 108.800 0.027 0.000 2.396 2680 G HA2 -0.254 3.706 3.960 0.000 0.000 0.242 2680 G HA3 -0.254 3.706 3.960 0.000 0.000 0.242 2680 G C 0.508 175.422 174.900 0.023 0.000 1.069 2680 G CA 1.027 46.140 45.100 0.022 0.000 0.633 2680 G HN 1.838 nan 8.290 nan 0.000 0.517 2681 S N -1.805 113.910 115.700 0.026 0.000 2.579 2681 S HA 0.597 5.068 4.470 0.000 0.000 0.272 2681 S C 1.221 175.839 174.600 0.030 0.000 1.141 2681 S CA 0.438 58.653 58.200 0.026 0.000 0.843 2681 S CB 1.656 64.869 63.200 0.021 0.000 1.122 2681 S HN 0.982 nan 8.310 nan 0.000 0.468 2682 V N 2.970 122.903 119.914 0.032 0.000 2.358 2682 V HA -0.053 4.067 4.120 0.000 0.000 0.246 2682 V C 2.304 178.415 176.094 0.028 0.000 1.047 2682 V CA 1.902 64.223 62.300 0.035 0.000 1.035 2682 V CB -0.856 30.990 31.823 0.037 0.000 0.658 2682 V HN 0.723 nan 8.190 nan 0.000 0.452 2683 V N 0.221 120.149 119.914 0.024 0.000 2.548 2683 V HA -0.183 3.937 4.120 0.000 0.000 0.249 2683 V C 2.294 178.397 176.094 0.014 0.000 1.055 2683 V CA 1.862 64.173 62.300 0.018 0.000 1.065 2683 V CB -0.637 31.197 31.823 0.018 0.000 0.681 2683 V HN 0.515 nan 8.190 nan 0.000 0.462 2684 D N 0.846 121.255 120.400 0.016 0.000 2.077 2684 D HA -0.136 4.504 4.640 0.000 0.000 0.193 2684 D C 2.303 178.609 176.300 0.009 0.000 0.989 2684 D CA 1.835 55.843 54.000 0.012 0.000 0.831 2684 D CB -0.542 40.267 40.800 0.014 0.000 0.979 2684 D HN 0.374 nan 8.370 nan 0.000 0.449 2685 A N 1.213 124.042 122.820 0.015 0.000 1.903 2685 A HA -0.213 4.107 4.320 0.000 0.000 0.219 2685 A C 2.370 179.951 177.584 -0.005 0.000 1.191 2685 A CA 1.537 53.580 52.037 0.009 0.000 0.638 2685 A CB -1.103 17.917 19.000 0.033 0.000 0.823 2685 A HN 0.316 nan 8.150 nan 0.000 0.451 2686 L N -1.232 119.993 121.223 0.003 0.000 1.990 2686 L HA -0.250 4.090 4.340 0.000 0.000 0.213 2686 L C 2.863 179.729 176.870 -0.007 0.000 1.072 2686 L CA 1.660 56.499 54.840 -0.001 0.000 0.755 2686 L CB -0.314 41.749 42.059 0.007 0.000 0.889 2686 L HN 0.314 nan 8.230 nan 0.000 0.432 2687 R N 0.018 120.517 120.500 -0.002 0.000 2.094 2687 R HA -0.184 4.156 4.340 0.000 0.000 0.239 2687 R C 2.226 178.520 176.300 -0.010 0.000 1.137 2687 R CA 1.589 57.686 56.100 -0.004 0.000 0.943 2687 R CB -1.351 28.949 30.300 -0.000 0.000 0.850 2687 R HN 0.548 nan 8.270 nan 0.000 0.433 2688 A N 0.625 123.438 122.820 -0.012 0.000 1.903 2688 A HA -0.177 4.143 4.320 0.000 0.000 0.219 2688 A C 2.527 180.093 177.584 -0.029 0.000 1.191 2688 A CA 2.243 54.268 52.037 -0.019 0.000 0.638 2688 A CB -0.778 18.210 19.000 -0.020 0.000 0.823 2688 A HN 0.153 nan 8.150 nan 0.000 0.451 2689 V N 0.026 119.917 119.914 -0.038 0.000 2.515 2689 V HA -0.196 3.924 4.120 0.000 0.000 0.250 2689 V C 2.656 178.730 176.094 -0.033 0.000 1.058 2689 V CA 1.814 64.085 62.300 -0.048 0.000 1.064 2689 V CB -0.814 30.971 31.823 -0.063 0.000 0.675 2689 V HN 0.461 nan 8.190 nan 0.000 0.461 2690 R N 0.815 121.302 120.500 -0.023 0.000 2.096 2690 R HA -0.109 4.231 4.340 0.000 0.000 0.235 2690 R C 2.046 178.337 176.300 -0.015 0.000 1.127 2690 R CA 1.424 57.514 56.100 -0.016 0.000 0.968 2690 R CB -0.797 29.497 30.300 -0.010 0.000 0.861 2690 R HN 0.566 nan 8.270 nan 0.000 0.440 2691 N N 0.791 119.482 118.700 -0.016 0.000 2.216 2691 N HA -0.069 4.671 4.740 0.000 0.000 0.183 2691 N C 1.660 177.160 175.510 -0.017 0.000 1.017 2691 N CA 1.389 54.430 53.050 -0.014 0.000 0.861 2691 N CB -0.306 38.173 38.487 -0.012 0.000 0.986 2691 N HN 0.184 nan 8.380 nan 0.000 0.428 2692 A N 0.046 122.853 122.820 -0.022 0.000 1.930 2692 A HA 0.421 4.741 4.320 0.000 0.000 0.215 2692 A C 1.123 178.692 177.584 -0.025 0.000 1.176 2692 A CA 1.279 53.301 52.037 -0.025 0.000 0.632 2692 A CB -0.026 18.955 19.000 -0.032 0.000 0.819 2692 A HN 0.261 nan 8.150 nan 0.000 0.445 2693 A N -0.599 122.205 122.820 -0.026 0.000 3.370 2693 A HA 0.552 4.873 4.320 0.000 0.000 0.295 2693 A C -1.716 175.856 177.584 -0.021 0.000 1.030 2693 A CA -0.580 51.442 52.037 -0.025 0.000 0.883 2693 A CB 0.384 19.366 19.000 -0.030 0.000 1.191 2693 A HN 0.183 nan 8.150 nan 0.000 0.507 2694 P HA -0.140 nan 4.420 nan 0.000 0.228 2694 P C 0.282 177.575 177.300 -0.012 0.000 1.151 2694 P CA 1.308 64.400 63.100 -0.013 0.000 0.770 2694 P CB 0.236 31.929 31.700 -0.011 0.000 0.786 2695 D N -1.507 118.884 120.400 -0.013 0.000 2.366 2695 D HA 0.024 4.664 4.640 0.000 0.000 0.205 2695 D C 0.746 177.039 176.300 -0.013 0.000 1.022 2695 D CA -0.136 53.856 54.000 -0.012 0.000 0.868 2695 D CB -0.328 40.464 40.800 -0.013 0.000 0.953 2695 D HN 0.130 nan 8.370 nan 0.000 0.514 2696 L N 1.713 122.927 121.223 -0.015 0.000 2.375 2696 L HA 0.404 4.744 4.340 0.000 0.000 0.271 2696 L C -2.311 174.551 176.870 -0.013 0.000 1.107 2696 L CA -1.950 52.881 54.840 -0.016 0.000 0.806 2696 L CB 1.013 43.061 42.059 -0.019 0.000 1.146 2696 L HN -0.275 nan 8.230 nan 0.000 0.447 2697 P HA 0.140 nan 4.420 nan 0.000 0.271 2697 P C -1.281 176.015 177.300 -0.008 0.000 1.216 2697 P CA -0.278 62.815 63.100 -0.011 0.000 0.776 2697 P CB 0.614 32.304 31.700 -0.017 0.000 0.881 2698 C N 3.002 122.299 119.300 -0.005 0.000 2.498 2698 C HA 0.550 5.010 4.460 0.000 0.000 0.316 2698 C C -0.977 174.018 174.990 0.008 0.000 1.209 2698 C CA -0.165 58.853 59.018 -0.000 0.000 1.518 2698 C CB 0.345 28.082 27.740 -0.005 0.000 2.147 2698 C HN 0.595 nan 8.230 nan 0.000 0.483 2699 E N 2.472 122.684 120.200 0.021 0.000 2.272 2699 E HA 0.581 4.931 4.350 0.000 0.000 0.269 2699 E C -1.269 175.350 176.600 0.031 0.000 0.877 2699 E CA -0.406 56.013 56.400 0.031 0.000 0.755 2699 E CB 2.195 31.934 29.700 0.065 0.000 1.192 2699 E HN 0.517 nan 8.360 nan 0.000 0.422 2700 V N 2.276 122.204 119.914 0.024 0.000 2.495 2700 V HA 0.357 4.477 4.120 0.000 0.000 0.298 2700 V C -0.892 175.214 176.094 0.018 0.000 1.031 2700 V CA -0.525 61.791 62.300 0.027 0.000 0.871 2700 V CB 1.647 33.484 31.823 0.023 0.000 0.988 2700 V HN 0.765 nan 8.190 nan 0.000 0.432 2701 E N 5.445 125.661 120.200 0.026 0.000 2.200 2701 E HA 0.553 4.903 4.350 0.000 0.000 0.283 2701 E C -0.988 175.624 176.600 0.020 0.000 1.015 2701 E CA -0.536 55.869 56.400 0.009 0.000 0.819 2701 E CB 1.763 31.470 29.700 0.011 0.000 1.081 2701 E HN 0.752 nan 8.360 nan 0.000 0.397 2702 V N 1.886 121.805 119.914 0.008 0.000 2.628 2702 V HA 0.440 4.560 4.120 0.000 0.000 0.306 2702 V C -0.379 175.802 176.094 0.145 0.000 1.045 2702 V CA -0.696 61.645 62.300 0.068 0.000 0.905 2702 V CB 1.782 33.657 31.823 0.085 0.000 0.997 2702 V HN 0.761 nan 8.190 nan 0.000 0.436 2703 D N 1.397 121.913 120.400 0.194 0.000 2.501 2703 D HA 0.324 4.964 4.640 0.000 0.000 0.224 2703 D C 0.343 176.783 176.300 0.233 0.000 1.202 2703 D CA 0.465 54.624 54.000 0.265 0.000 0.829 2703 D CB 0.289 41.166 40.800 0.129 0.000 1.023 2703 D HN 0.990 nan 8.370 nan 0.000 0.499 2704 S N -1.449 114.395 115.700 0.240 0.000 2.588 2704 S HA 0.371 4.842 4.470 0.000 0.000 0.269 2704 S C 0.269 174.918 174.600 0.081 0.000 1.157 2704 S CA -0.922 57.282 58.200 0.006 0.000 0.824 2704 S CB 0.709 63.908 63.200 -0.001 0.000 1.126 2704 S HN -0.013 nan 8.310 nan 0.000 0.464 2705 L N 0.797 121.971 121.223 -0.082 0.000 2.217 2705 L HA 0.038 4.378 4.340 0.000 0.000 0.211 2705 L C 2.312 179.217 176.870 0.057 0.000 1.107 2705 L CA 1.129 55.981 54.840 0.019 0.000 0.783 2705 L CB -0.484 41.541 42.059 -0.057 0.000 0.919 2705 L HN 0.714 nan 8.230 nan 0.000 0.442 2706 E N 0.163 120.384 120.200 0.034 0.000 2.017 2706 E HA -0.246 4.104 4.350 0.000 0.000 0.193 2706 E C 2.196 178.829 176.600 0.055 0.000 0.997 2706 E CA 1.279 57.703 56.400 0.040 0.000 0.804 2706 E CB -0.238 29.479 29.700 0.029 0.000 0.757 2706 E HN 0.422 nan 8.360 nan 0.000 0.448 2707 Q N -0.173 119.667 119.800 0.067 0.000 2.135 2707 Q HA -0.164 4.177 4.340 0.000 0.000 0.204 2707 Q C 2.295 178.343 176.000 0.079 0.000 0.981 2707 Q CA 1.175 57.021 55.803 0.071 0.000 0.856 2707 Q CB -0.257 28.531 28.738 0.082 0.000 0.902 2707 Q HN 0.222 nan 8.270 nan 0.000 0.425 2708 L N 1.130 122.420 121.223 0.111 0.000 2.046 2708 L HA -0.205 4.135 4.340 0.000 0.000 0.208 2708 L C 1.484 178.397 176.870 0.072 0.000 1.077 2708 L CA 1.916 56.819 54.840 0.105 0.000 0.747 2708 L CB -0.334 41.824 42.059 0.165 0.000 0.896 2708 L HN 0.065 nan 8.230 nan 0.000 0.432 2709 D N 0.146 120.586 120.400 0.067 0.000 2.117 2709 D HA -0.154 4.486 4.640 0.000 0.000 0.197 2709 D C 2.223 178.547 176.300 0.041 0.000 0.987 2709 D CA 1.538 55.569 54.000 0.050 0.000 0.829 2709 D CB -0.239 40.588 40.800 0.046 0.000 0.961 2709 D HN 0.543 nan 8.370 nan 0.000 0.460 2710 A N 0.703 123.547 122.820 0.041 0.000 1.933 2710 A HA -0.125 4.195 4.320 0.000 0.000 0.218 2710 A C 2.382 179.984 177.584 0.031 0.000 1.175 2710 A CA 1.970 54.027 52.037 0.034 0.000 0.628 2710 A CB -0.512 18.508 19.000 0.034 0.000 0.814 2710 A HN 0.257 nan 8.150 nan 0.000 0.444 2711 V N -3.245 116.689 119.914 0.034 0.000 3.174 2711 V HA 0.122 4.243 4.120 0.000 0.000 0.254 2711 V C 2.072 178.181 176.094 0.025 0.000 1.120 2711 V CA 0.811 63.127 62.300 0.028 0.000 1.114 2711 V CB -0.661 31.179 31.823 0.028 0.000 0.756 2711 V HN 0.381 nan 8.190 nan 0.000 0.467 2712 L N 0.931 122.171 121.223 0.028 0.000 2.013 2712 L HA -0.065 4.275 4.340 0.000 0.000 0.212 2712 L C 0.518 177.400 176.870 0.020 0.000 1.073 2712 L CA 2.460 57.315 54.840 0.025 0.000 0.753 2712 L CB -1.594 40.483 42.059 0.030 0.000 0.890 2712 L HN 0.372 nan 8.230 nan 0.000 0.432 2713 P HA -0.172 nan 4.420 nan 0.000 0.218 2713 P C 0.937 178.245 177.300 0.014 0.000 1.149 2713 P CA 1.219 64.329 63.100 0.016 0.000 0.817 2713 P CB -0.070 31.640 31.700 0.017 0.000 0.785 2714 E N 0.462 120.670 120.200 0.014 0.000 2.409 2714 E HA -0.089 4.261 4.350 0.000 0.000 0.198 2714 E C 0.475 177.081 176.600 0.010 0.000 1.024 2714 E CA 0.303 56.710 56.400 0.011 0.000 0.861 2714 E CB -0.597 29.110 29.700 0.012 0.000 0.788 2714 E HN 0.343 nan 8.360 nan 0.000 0.521 2715 K N 0.858 121.264 120.400 0.011 0.000 3.257 2715 K HA -0.149 4.172 4.320 0.000 0.000 0.270 2715 K C -2.284 174.321 176.600 0.008 0.000 0.984 2715 K CA 0.270 56.562 56.287 0.009 0.000 0.739 2715 K CB -1.195 31.309 32.500 0.008 0.000 1.351 2715 K HN 0.255 nan 8.250 nan 0.000 0.463 2716 P HA 0.008 nan 4.420 nan 0.000 0.272 2716 P C 0.507 177.813 177.300 0.009 0.000 1.240 2716 P CA 0.034 63.139 63.100 0.008 0.000 0.791 2716 P CB 0.745 32.451 31.700 0.010 0.000 0.978 2717 E N -0.249 119.956 120.200 0.009 0.000 2.058 2717 E HA -0.028 4.322 4.350 0.000 0.000 0.194 2717 E C 0.413 177.026 176.600 0.022 0.000 0.997 2717 E CA 1.417 57.824 56.400 0.012 0.000 0.801 2717 E CB -0.205 29.499 29.700 0.007 0.000 0.746 2717 E HN 0.353 nan 8.360 nan 0.000 0.450 2718 L N -0.612 120.623 121.223 0.021 0.000 2.424 2718 L HA 0.481 4.821 4.340 0.000 0.000 0.258 2718 L C -1.147 175.734 176.870 0.018 0.000 0.995 2718 L CA -0.636 54.223 54.840 0.032 0.000 0.821 2718 L CB 2.175 44.256 42.059 0.037 0.000 1.383 2718 L HN -0.109 nan 8.230 nan 0.000 0.410 2719 I N 2.491 123.067 120.570 0.010 0.000 2.545 2719 I HA 0.413 4.583 4.170 0.000 0.000 0.292 2719 I C -1.033 175.060 176.117 -0.039 0.000 1.040 2719 I CA -0.579 60.711 61.300 -0.017 0.000 1.068 2719 I CB 2.335 40.317 38.000 -0.030 0.000 1.251 2719 I HN 0.351 nan 8.210 nan 0.000 0.424 2720 L N 7.181 128.372 121.223 -0.053 0.000 2.276 2720 L HA 0.498 4.838 4.340 0.000 0.000 0.286 2720 L C -0.908 175.852 176.870 -0.185 0.000 1.024 2720 L CA -0.491 54.303 54.840 -0.076 0.000 0.826 2720 L CB 0.727 42.772 42.059 -0.024 0.000 1.211 2720 L HN 0.509 nan 8.230 nan 0.000 0.422 2721 L N 4.705 125.734 121.223 -0.324 0.000 2.342 2721 L HA 0.227 4.568 4.340 0.000 0.000 0.285 2721 L C -0.231 176.397 176.870 -0.403 0.000 1.095 2721 L CA -0.253 54.153 54.840 -0.722 0.000 0.843 2721 L CB 0.303 41.755 42.059 -1.012 0.000 1.201 2721 L HN 0.589 nan 8.230 nan 0.000 0.445 2722 D N 4.971 125.253 120.400 -0.197 0.000 2.365 2722 D HA 0.053 4.693 4.640 0.000 0.000 0.237 2722 D C 0.436 176.830 176.300 0.156 0.000 1.190 2722 D CA 0.068 54.068 54.000 -0.000 0.000 0.867 2722 D CB 0.264 41.081 40.800 0.028 0.000 1.050 2722 D HN 0.440 nan 8.370 nan 0.000 0.491 2723 N N 3.105 121.873 118.700 0.113 0.000 2.758 2723 N HA -0.216 4.525 4.740 0.000 0.000 0.248 2723 N C -0.900 174.790 175.510 0.301 0.000 1.076 2723 N CA 0.421 53.566 53.050 0.159 0.000 0.696 2723 N CB -1.013 37.541 38.487 0.112 0.000 0.979 2723 N HN 0.305 nan 8.380 nan 0.000 0.550 2724 F N 0.987 120.947 119.950 0.016 0.000 2.375 2724 F HA 0.503 5.030 4.527 0.000 0.000 0.333 2724 F C 1.357 177.188 175.800 0.051 0.000 1.104 2724 F CA -0.896 57.089 58.000 -0.024 0.000 1.149 2724 F CB 0.688 39.666 39.000 -0.037 0.000 1.190 2724 F HN 0.117 nan 8.300 nan 0.000 0.533 2725 A N 2.521 125.323 122.820 -0.030 0.000 2.313 2725 A HA 0.406 4.726 4.320 0.000 0.000 0.261 2725 A C 1.090 178.601 177.584 -0.121 0.000 1.090 2725 A CA -0.462 51.543 52.037 -0.054 0.000 0.807 2725 A CB 0.200 19.069 19.000 -0.218 0.000 1.055 2725 A HN 0.654 nan 8.150 nan 0.000 0.492 2726 V N 0.952 120.758 119.914 -0.180 0.000 2.407 2726 V HA -0.238 3.882 4.120 0.000 0.000 0.248 2726 V C 2.269 178.314 176.094 -0.083 0.000 1.055 2726 V CA 2.286 64.393 62.300 -0.323 0.000 1.049 2726 V CB -1.168 30.424 31.823 -0.385 0.000 0.662 2726 V HN 1.056 nan 8.190 nan 0.000 0.455 2727 W N 0.629 121.897 121.300 -0.055 0.000 2.374 2727 W HA -0.173 4.487 4.660 0.000 0.000 0.288 2727 W C 1.782 178.307 176.519 0.010 0.000 1.218 2727 W CA 1.112 58.442 57.345 -0.025 0.000 1.245 2727 W CB -0.868 28.575 29.460 -0.029 0.000 1.126 2727 W HN 0.290 nan 8.180 nan 0.000 0.545 2728 Q N 0.666 119.981 119.800 -0.808 0.000 2.187 2728 Q HA -0.084 4.256 4.340 0.000 0.000 0.199 2728 Q C 2.305 178.288 176.000 -0.030 0.000 0.957 2728 Q CA 2.172 57.532 55.803 -0.739 0.000 0.857 2728 Q CB -0.249 27.801 28.738 -1.147 0.000 0.929 2728 Q HN 0.181 nan 8.270 nan 0.000 0.453 2729 T N 0.640 115.238 114.554 0.073 0.000 2.857 2729 T HA -0.176 4.174 4.350 0.000 0.000 0.266 2729 T C 1.717 176.479 174.700 0.104 0.000 1.048 2729 T CA 1.324 63.529 62.100 0.174 0.000 1.139 2729 T CB -0.097 68.872 68.868 0.168 0.000 0.874 2729 T HN 0.162 nan 8.240 nan 0.000 0.455 2730 Q N 1.106 120.951 119.800 0.074 0.000 2.084 2730 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 2730 Q C 2.250 178.308 176.000 0.097 0.000 0.978 2730 Q CA 1.867 57.718 55.803 0.080 0.000 0.844 2730 Q CB -0.827 27.967 28.738 0.093 0.000 0.898 2730 Q HN 0.450 nan 8.270 nan 0.000 0.426 2731 T N 0.446 115.073 114.554 0.122 0.000 2.674 2731 T HA -0.161 4.190 4.350 0.000 0.000 0.265 2731 T C 1.781 176.544 174.700 0.105 0.000 1.039 2731 T CA 1.627 63.802 62.100 0.126 0.000 1.150 2731 T CB -0.861 68.093 68.868 0.144 0.000 0.864 2731 T HN 0.481 nan 8.240 nan 0.000 0.427 2732 A N 1.069 123.966 122.820 0.128 0.000 1.927 2732 A HA -0.146 4.174 4.320 0.000 0.000 0.220 2732 A C 2.597 180.224 177.584 0.071 0.000 1.185 2732 A CA 1.960 54.072 52.037 0.126 0.000 0.639 2732 A CB -1.225 17.873 19.000 0.164 0.000 0.820 2732 A HN 0.379 nan 8.150 nan 0.000 0.451 2733 V N -0.604 119.347 119.914 0.062 0.000 2.427 2733 V HA -0.282 3.838 4.120 0.000 0.000 0.248 2733 V C 2.595 178.711 176.094 0.038 0.000 1.051 2733 V CA 2.181 64.504 62.300 0.039 0.000 1.048 2733 V CB -0.851 30.993 31.823 0.035 0.000 0.666 2733 V HN 0.645 nan 8.190 nan 0.000 0.456 2734 Q N -0.300 119.530 119.800 0.050 0.000 2.046 2734 Q HA -0.162 4.179 4.340 0.000 0.000 0.200 2734 Q C 2.535 178.561 176.000 0.042 0.000 0.975 2734 Q CA 1.596 57.426 55.803 0.045 0.000 0.836 2734 Q CB -0.179 28.592 28.738 0.055 0.000 0.896 2734 Q HN 0.559 nan 8.270 nan 0.000 0.428 2735 R N 0.170 120.701 120.500 0.052 0.000 2.081 2735 R HA -0.091 4.249 4.340 0.000 0.000 0.235 2735 R C 2.415 178.737 176.300 0.037 0.000 1.131 2735 R CA 0.973 57.101 56.100 0.047 0.000 0.960 2735 R CB -0.249 30.087 30.300 0.059 0.000 0.856 2735 R HN 0.096 nan 8.270 nan 0.000 0.436 2736 R N 1.458 121.979 120.500 0.034 0.000 2.073 2736 R HA -0.154 4.186 4.340 0.000 0.000 0.234 2736 R C 1.167 177.477 176.300 0.017 0.000 1.134 2736 R CA 1.932 58.045 56.100 0.023 0.000 0.952 2736 R CB -0.544 29.766 30.300 0.016 0.000 0.850 2736 R HN 0.149 nan 8.270 nan 0.000 0.433 2737 D N 0.025 120.435 120.400 0.017 0.000 2.182 2737 D HA -0.120 4.521 4.640 0.000 0.000 0.201 2737 D C 1.848 178.156 176.300 0.013 0.000 0.986 2737 D CA 1.853 55.860 54.000 0.012 0.000 0.847 2737 D CB -0.017 40.791 40.800 0.013 0.000 0.942 2737 D HN 0.432 nan 8.370 nan 0.000 0.467 2738 S N -0.503 115.208 115.700 0.018 0.000 2.439 2738 S HA 0.073 4.543 4.470 0.000 0.000 0.224 2738 S C 1.804 176.414 174.600 0.016 0.000 1.029 2738 S CA 0.052 58.263 58.200 0.017 0.000 0.946 2738 S CB 0.232 63.445 63.200 0.021 0.000 0.797 2738 S HN 0.149 nan 8.310 nan 0.000 0.504 2739 R N 0.936 121.447 120.500 0.018 0.000 2.221 2739 R HA 0.501 4.841 4.340 0.000 0.000 0.195 2739 R C 0.327 176.636 176.300 0.015 0.000 0.956 2739 R CA 0.708 56.819 56.100 0.017 0.000 1.064 2739 R CB 0.404 30.717 30.300 0.022 0.000 1.049 2739 R HN 0.387 nan 8.270 nan 0.000 0.534 2740 A N 1.155 123.984 122.820 0.014 0.000 3.422 2740 A HA 0.349 4.669 4.320 0.000 0.000 0.271 2740 A C -2.337 175.251 177.584 0.007 0.000 1.104 2740 A CA -1.014 51.029 52.037 0.010 0.000 0.899 2740 A CB 0.708 19.715 19.000 0.012 0.000 1.309 2740 A HN -0.099 nan 8.150 nan 0.000 0.580 2741 P HA -0.207 nan 4.420 nan 0.000 0.219 2741 P C 1.652 178.951 177.300 -0.003 0.000 1.144 2741 P CA 2.385 65.486 63.100 0.001 0.000 0.806 2741 P CB 0.085 31.785 31.700 0.001 0.000 0.771 2742 T N -5.182 109.372 114.554 -0.000 0.000 3.081 2742 T HA 0.084 4.434 4.350 0.000 0.000 0.255 2742 T C 0.752 175.452 174.700 0.001 0.000 1.113 2742 T CA -0.018 62.082 62.100 -0.001 0.000 1.082 2742 T CB -0.756 68.113 68.868 0.001 0.000 0.939 2742 T HN -0.187 nan 8.240 nan 0.000 0.506 2743 V N 2.722 122.637 119.914 0.002 0.000 2.614 2743 V HA 0.339 4.459 4.120 0.000 0.000 0.291 2743 V C 0.352 176.447 176.094 0.001 0.000 1.049 2743 V CA -0.254 62.049 62.300 0.005 0.000 1.038 2743 V CB 0.840 32.668 31.823 0.007 0.000 0.980 2743 V HN 0.499 nan 8.190 nan 0.000 0.481 2744 M N 5.065 124.672 119.600 0.011 0.000 2.363 2744 M HA 0.482 4.962 4.480 0.000 0.000 0.343 2744 M C -1.222 175.090 176.300 0.020 0.000 1.165 2744 M CA -0.758 54.547 55.300 0.008 0.000 1.046 2744 M CB 1.625 34.249 32.600 0.040 0.000 1.648 2744 M HN 0.306 nan 8.290 nan 0.000 0.452 2745 L N 2.275 123.498 121.223 -0.000 0.000 2.329 2745 L HA 0.484 4.824 4.340 0.000 0.000 0.279 2745 L C -0.411 176.482 176.870 0.039 0.000 1.014 2745 L CA -0.168 54.671 54.840 -0.003 0.000 0.814 2745 L CB 1.575 43.618 42.059 -0.026 0.000 1.257 2745 L HN 0.654 nan 8.230 nan 0.000 0.424 2746 E N 1.351 121.573 120.200 0.037 0.000 2.246 2746 E HA 0.527 4.877 4.350 0.000 0.000 0.266 2746 E C -1.359 175.234 176.600 -0.013 0.000 0.880 2746 E CA -0.402 56.047 56.400 0.082 0.000 0.762 2746 E CB 1.377 31.155 29.700 0.130 0.000 1.180 2746 E HN 0.587 nan 8.360 nan 0.000 0.416 2747 S N 2.353 118.048 115.700 -0.008 0.000 2.525 2747 S HA 0.501 4.971 4.470 0.000 0.000 0.278 2747 S C -0.704 173.839 174.600 -0.095 0.000 1.234 2747 S CA -0.611 57.545 58.200 -0.073 0.000 1.058 2747 S CB 1.505 64.672 63.200 -0.055 0.000 0.983 2747 S HN 0.423 nan 8.310 nan 0.000 0.495 2748 S N 1.393 117.023 115.700 -0.115 0.000 2.546 2748 S HA 0.824 5.294 4.470 0.000 0.000 0.272 2748 S C 0.125 174.671 174.600 -0.090 0.000 1.140 2748 S CA 0.307 58.445 58.200 -0.103 0.000 0.920 2748 S CB 1.086 64.242 63.200 -0.074 0.000 1.083 2748 S HN 1.212 nan 8.310 nan 0.000 0.476 2749 G N 2.745 111.496 108.800 -0.081 0.000 2.061 2749 G HA2 0.139 4.099 3.960 0.000 0.000 0.059 2749 G HA3 0.139 4.099 3.960 0.000 0.000 0.059 2749 G C 0.353 175.235 174.900 -0.030 0.000 1.013 2749 G CA 0.020 45.097 45.100 -0.039 0.000 1.185 2749 G HN 1.448 nan 8.290 nan 0.000 0.410 2750 G N 0.699 109.488 108.800 -0.019 0.000 3.401 2750 G HA2 0.511 4.471 3.960 0.000 0.000 0.251 2750 G HA3 0.511 4.471 3.960 0.000 0.000 0.251 2750 G C -0.379 174.511 174.900 -0.017 0.000 0.960 2750 G CA 0.061 45.173 45.100 0.021 0.000 1.900 2750 G HN 0.413 nan 8.290 nan 0.000 0.645 2751 L N 1.844 123.048 121.223 -0.031 0.000 2.289 2751 L HA 0.602 4.942 4.340 0.000 0.000 0.285 2751 L C 0.583 177.611 176.870 0.262 0.000 1.049 2751 L CA -0.470 54.384 54.840 0.023 0.000 0.804 2751 L CB 1.646 43.702 42.059 -0.004 0.000 1.195 2751 L HN 0.320 nan 8.230 nan 0.000 0.428 2752 S N 2.341 118.186 115.700 0.242 0.000 2.599 2752 S HA 0.425 4.895 4.470 0.000 0.000 0.287 2752 S C 0.466 174.958 174.600 -0.179 0.000 1.105 2752 S CA -0.731 57.560 58.200 0.151 0.000 0.899 2752 S CB 1.208 64.455 63.200 0.078 0.000 1.100 2752 S HN 0.425 nan 8.310 nan 0.000 0.482 2753 L N 1.437 122.353 121.223 -0.512 0.000 2.191 2753 L HA -0.024 4.316 4.340 0.000 0.000 0.212 2753 L C 2.429 179.042 176.870 -0.427 0.000 1.103 2753 L CA 1.858 56.140 54.840 -0.930 0.000 0.769 2753 L CB -0.999 40.558 42.059 -0.836 0.000 0.908 2753 L HN 0.806 nan 8.230 nan 0.000 0.438 2754 Q N -1.296 118.379 119.800 -0.209 0.000 2.230 2754 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 2754 Q C 1.853 177.831 176.000 -0.038 0.000 0.963 2754 Q CA 1.596 57.337 55.803 -0.103 0.000 0.866 2754 Q CB -1.050 27.658 28.738 -0.050 0.000 0.931 2754 Q HN 0.683 nan 8.270 nan 0.000 0.452 2755 T N -3.105 111.458 114.554 0.015 0.000 3.040 2755 T HA 0.473 4.823 4.350 0.000 0.000 0.250 2755 T C 1.865 176.701 174.700 0.228 0.000 1.058 2755 T CA 0.392 62.580 62.100 0.147 0.000 0.988 2755 T CB 0.168 69.209 68.868 0.289 0.000 0.993 2755 T HN 0.193 nan 8.240 nan 0.000 0.519 2756 A N 2.177 125.050 122.820 0.089 0.000 1.903 2756 A HA 0.110 4.430 4.320 0.000 0.000 0.219 2756 A C 2.754 180.449 177.584 0.184 0.000 1.191 2756 A CA 2.120 54.258 52.037 0.168 0.000 0.638 2756 A CB -1.458 17.547 19.000 0.007 0.000 0.823 2756 A HN 0.781 nan 8.150 nan 0.000 0.451 2757 A N -1.396 121.476 122.820 0.088 0.000 1.969 2757 A HA -0.037 4.283 4.320 0.000 0.000 0.218 2757 A C 2.274 179.906 177.584 0.080 0.000 1.169 2757 A CA 2.194 54.274 52.037 0.073 0.000 0.635 2757 A CB -1.174 17.842 19.000 0.026 0.000 0.810 2757 A HN 0.469 nan 8.150 nan 0.000 0.445 2758 T N -1.175 113.426 114.554 0.078 0.000 2.746 2758 T HA -0.157 4.193 4.350 0.000 0.000 0.267 2758 T C 1.718 176.409 174.700 -0.014 0.000 1.039 2758 T CA 1.817 63.923 62.100 0.010 0.000 1.142 2758 T CB -0.443 68.402 68.868 -0.038 0.000 0.866 2758 T HN 0.565 nan 8.240 nan 0.000 0.444 2759 Y N 1.388 121.725 120.300 0.061 0.000 2.163 2759 Y HA 0.066 4.616 4.550 0.000 0.000 0.288 2759 Y C 2.780 178.713 175.900 0.055 0.000 1.136 2759 Y CA 0.722 58.862 58.100 0.066 0.000 1.147 2759 Y CB -0.728 37.783 38.460 0.085 0.000 0.987 2759 Y HN 0.179 nan 8.280 nan 0.000 0.509 2760 A N 0.232 123.183 122.820 0.218 0.000 1.940 2760 A HA -0.245 4.075 4.320 0.000 0.000 0.219 2760 A C 2.007 179.636 177.584 0.076 0.000 1.176 2760 A CA 1.978 54.094 52.037 0.131 0.000 0.631 2760 A CB -0.626 18.444 19.000 0.116 0.000 0.814 2760 A HN 0.547 nan 8.150 nan 0.000 0.446 2761 E N -0.637 119.599 120.200 0.060 0.000 2.204 2761 E HA -0.143 4.207 4.350 0.000 0.000 0.194 2761 E C 2.148 178.763 176.600 0.025 0.000 0.989 2761 E CA 1.411 57.829 56.400 0.031 0.000 0.824 2761 E CB -0.345 29.366 29.700 0.019 0.000 0.756 2761 E HN 0.890 nan 8.360 nan 0.000 0.477 2762 T N -2.479 112.092 114.554 0.029 0.000 2.881 2762 T HA -0.064 4.287 4.350 0.000 0.000 0.270 2762 T C 1.602 176.320 174.700 0.029 0.000 1.068 2762 T CA 1.108 63.224 62.100 0.027 0.000 1.131 2762 T CB -0.017 68.870 68.868 0.033 0.000 0.871 2762 T HN 0.309 nan 8.240 nan 0.000 0.479 2763 G N 0.546 109.363 108.800 0.028 0.000 2.154 2763 G HA2 -0.125 3.835 3.960 0.000 0.000 0.186 2763 G HA3 -0.125 3.835 3.960 0.000 0.000 0.186 2763 G C 0.111 175.010 174.900 -0.002 0.000 1.000 2763 G CA -0.053 45.053 45.100 0.010 0.000 0.664 2763 G HN 1.409 nan 8.290 nan 0.000 0.513 2764 V N -1.855 118.069 119.914 0.017 0.000 3.096 2764 V HA 0.414 4.534 4.120 0.000 0.000 0.306 2764 V C 1.210 177.267 176.094 -0.062 0.000 1.088 2764 V CA 0.763 63.061 62.300 -0.003 0.000 1.129 2764 V CB 0.937 32.783 31.823 0.038 0.000 1.014 2764 V HN 0.161 nan 8.190 nan 0.000 0.486 2765 D N 0.362 120.679 120.400 -0.139 0.000 2.213 2765 D HA 0.093 4.733 4.640 0.000 0.000 0.205 2765 D C -0.229 175.773 176.300 -0.497 0.000 0.961 2765 D CA 1.629 55.409 54.000 -0.366 0.000 0.853 2765 D CB 0.249 40.734 40.800 -0.524 0.000 0.967 2765 D HN 0.679 nan 8.370 nan 0.000 0.496 2766 Y N -0.658 119.632 120.300 -0.016 0.000 2.615 2766 Y HA 0.463 5.013 4.550 0.000 0.000 0.341 2766 Y C -0.743 175.146 175.900 -0.018 0.000 1.089 2766 Y CA -1.057 57.029 58.100 -0.023 0.000 1.049 2766 Y CB 1.492 39.921 38.460 -0.052 0.000 1.296 2766 Y HN -0.306 nan 8.280 nan 0.000 0.470 2767 L N 1.835 123.157 121.223 0.165 0.000 2.376 2767 L HA 0.765 5.105 4.340 0.000 0.000 0.275 2767 L C -0.512 176.340 176.870 -0.031 0.000 0.987 2767 L CA -0.826 54.041 54.840 0.046 0.000 0.828 2767 L CB 1.642 43.737 42.059 0.061 0.000 1.249 2767 L HN 0.758 nan 8.230 nan 0.000 0.409 2768 A N 4.294 127.075 122.820 -0.065 0.000 2.279 2768 A HA 0.683 5.003 4.320 0.000 0.000 0.306 2768 A C -0.598 176.858 177.584 -0.213 0.000 1.300 2768 A CA -0.407 51.571 52.037 -0.099 0.000 0.925 2768 A CB 0.280 19.258 19.000 -0.037 0.000 1.152 2768 A HN 0.404 nan 8.150 nan 0.000 0.544 2769 V N 3.839 123.556 119.914 -0.329 0.000 2.293 2769 V HA 0.349 4.470 4.120 0.000 0.000 0.275 2769 V C 1.451 177.313 176.094 -0.386 0.000 1.021 2769 V CA 0.193 62.200 62.300 -0.488 0.000 0.815 2769 V CB 0.675 31.882 31.823 -1.027 0.000 1.025 2769 V HN 1.026 nan 8.190 nan 0.000 0.448 2770 G N 3.579 112.220 108.800 -0.265 0.000 2.422 2770 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 2770 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 2770 G C 1.596 176.073 174.900 -0.705 0.000 1.146 2770 G CA 1.082 46.037 45.100 -0.241 0.000 0.769 2770 G HN 0.851 nan 8.290 nan 0.000 0.547 2771 A N 0.367 122.732 122.820 -0.758 0.000 2.032 2771 A HA -0.015 4.305 4.320 0.000 0.000 0.221 2771 A C 2.285 179.586 177.584 -0.472 0.000 1.165 2771 A CA 1.380 52.949 52.037 -0.781 0.000 0.645 2771 A CB -0.339 18.531 19.000 -0.218 0.000 0.807 2771 A HN 0.310 nan 8.150 nan 0.000 0.453 2772 L N -0.049 120.923 121.223 -0.419 0.000 2.127 2772 L HA -0.154 4.186 4.340 0.000 0.000 0.211 2772 L C 2.750 179.490 176.870 -0.216 0.000 1.089 2772 L CA 2.570 57.236 54.840 -0.290 0.000 0.757 2772 L CB -0.879 40.987 42.059 -0.321 0.000 0.899 2772 L HN 0.714 nan 8.230 nan 0.000 0.434 2773 T N -4.913 109.503 114.554 -0.229 0.000 2.999 2773 T HA 0.099 4.449 4.350 0.000 0.000 0.247 2773 T C 0.661 175.355 174.700 -0.010 0.000 1.012 2773 T CA 0.081 62.123 62.100 -0.096 0.000 1.048 2773 T CB -0.305 68.535 68.868 -0.045 0.000 1.020 2773 T HN 0.414 nan 8.240 nan 0.000 0.478 2774 H N 1.110 120.176 119.070 -0.006 0.000 2.495 2774 H HA 0.711 5.267 4.556 0.000 0.000 0.350 2774 H C 0.165 175.501 175.328 0.014 0.000 1.202 2774 H CA -0.621 55.434 56.048 0.013 0.000 1.322 2774 H CB 0.467 30.228 29.762 -0.002 0.000 1.544 2774 H HN 0.045 nan 8.280 nan 0.000 0.565 2775 S N -0.948 114.921 115.700 0.282 0.000 3.711 2775 S HA -0.139 4.331 4.470 0.000 0.000 0.374 2775 S C -0.045 174.583 174.600 0.047 0.000 0.969 2775 S CA 0.579 58.883 58.200 0.173 0.000 1.198 2775 S CB -2.289 61.054 63.200 0.237 0.000 0.903 2775 S HN 1.054 nan 8.310 nan 0.000 0.493 2776 V N -0.116 119.815 119.914 0.029 0.000 2.630 2776 V HA 0.770 4.890 4.120 0.000 0.000 0.305 2776 V C 0.132 176.215 176.094 -0.019 0.000 1.046 2776 V CA -1.100 61.172 62.300 -0.046 0.000 0.934 2776 V CB 1.956 33.657 31.823 -0.203 0.000 1.003 2776 V HN 0.483 nan 8.190 nan 0.000 0.451 2777 R N 3.871 124.353 120.500 -0.030 0.000 2.338 2777 R HA 0.601 4.941 4.340 0.000 0.000 0.317 2777 R C -0.895 175.390 176.300 -0.025 0.000 0.968 2777 R CA -0.592 55.504 56.100 -0.006 0.000 0.849 2777 R CB 1.894 32.197 30.300 0.005 0.000 1.128 2777 R HN 0.815 nan 8.270 nan 0.000 0.448 2778 V N 5.418 125.332 119.914 0.001 0.000 2.763 2778 V HA 0.019 4.140 4.120 0.000 0.000 0.306 2778 V C -0.143 175.952 176.094 0.001 0.000 1.059 2778 V CA -0.106 62.198 62.300 0.006 0.000 1.138 2778 V CB 0.951 32.797 31.823 0.038 0.000 0.940 2778 V HN 0.586 nan 8.190 nan 0.000 0.489 2779 L N 5.836 127.058 121.223 -0.002 0.000 2.281 2779 L HA 0.398 4.738 4.340 0.000 0.000 0.285 2779 L C -0.041 176.834 176.870 0.009 0.000 1.074 2779 L CA 0.121 54.961 54.840 0.001 0.000 0.817 2779 L CB 0.962 43.020 42.059 -0.002 0.000 1.168 2779 L HN 0.732 nan 8.230 nan 0.000 0.434 2780 D N 5.597 126.001 120.400 0.008 0.000 2.339 2780 D HA 0.340 4.980 4.640 0.000 0.000 0.256 2780 D C -0.651 175.654 176.300 0.008 0.000 1.214 2780 D CA 0.365 54.370 54.000 0.009 0.000 0.877 2780 D CB 0.183 40.988 40.800 0.008 0.000 1.111 2780 D HN 0.422 nan 8.370 nan 0.000 0.478 2781 I N 2.178 122.753 120.570 0.009 0.000 2.730 2781 I HA 0.625 4.796 4.170 0.000 0.000 0.298 2781 I C 0.644 176.764 176.117 0.005 0.000 1.089 2781 I CA -1.035 60.269 61.300 0.007 0.000 1.041 2781 I CB 2.498 40.502 38.000 0.008 0.000 1.235 2781 I HN 0.364 nan 8.210 nan 0.000 0.423 2782 G N 3.416 112.218 108.800 0.003 0.000 2.658 2782 G HA2 0.685 4.645 3.960 0.000 0.000 0.292 2782 G HA3 0.685 4.645 3.960 0.000 0.000 0.292 2782 G C -2.062 172.837 174.900 -0.002 0.000 1.320 2782 G CA -0.610 44.491 45.100 0.001 0.000 0.933 2782 G HN 0.386 nan 8.290 nan 0.000 0.476 2783 L N 0.877 122.098 121.223 -0.004 0.000 2.294 2783 L HA 0.559 4.900 4.340 0.000 0.000 0.283 2783 L C -1.253 175.615 176.870 -0.003 0.000 1.015 2783 L CA -0.778 54.059 54.840 -0.006 0.000 0.831 2783 L CB 1.348 43.400 42.059 -0.011 0.000 1.217 2783 L HN 0.252 nan 8.230 nan 0.000 0.420 2784 D N 6.342 126.741 120.400 -0.002 0.000 2.303 2784 D HA 0.501 5.141 4.640 0.000 0.000 0.236 2784 D C -0.162 176.139 176.300 0.001 0.000 1.068 2784 D CA 0.076 54.077 54.000 0.000 0.000 0.830 2784 D CB 1.759 42.560 40.800 0.002 0.000 1.109 2784 D HN 0.529 nan 8.370 nan 0.000 0.496 2785 M N 0.000 119.601 119.600 0.002 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 32.602 32.600 0.003 0.000 1.302 2785 M HN 0.000 nan 8.290 nan 0.000 0.411