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 1js8_1_A DATA FIRST_RESID 2503 DATA SEQUENCE AIIRKNVNSL TPSDIKELRD AMAKVQADTS DNGYQKIASY HGIPLScHYE DATA SEQUENCE NGTAYAcCQH GMVTFPNWHR LLTKQMEDAL VAKGSHVGIP YWDWTTTFAN DATA SEQUENCE LPVLVTEEKD NSFHHAHIDV ANTDTTRSPR AQLFXXXXXX XXSFFYRQIA DATA SEQUENCE LALEQTDFcD FEIQFEIGHN AIHSWVGGSS PYGMSTLHYT SYDPLFYLHH DATA SEQUENCE SNTDRIWSVW QALQKYRGLP YNTANcEINK LVKPLKPFNL DTNPNAVTKA DATA SEQUENCE HSTGATSFDY HKLGYDYDNL NFHGMTIPEL EEHLKEIQHE DRVFAGFLLR DATA SEQUENCE TIGQSADVNF DVcTKDGEcT FGGTFCILGG EHEMFWAFDR LFKYDITTSL DATA SEQUENCE KHLRLDAHDD FDIKVTIKGI DGHVLSNKYL SPPTVFLAPA 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 2503 A HA 0.000 nan 4.320 nan 0.000 0.244 2503 A C 0.000 177.615 177.584 0.052 0.000 1.274 2503 A CA 0.000 52.062 52.037 0.041 0.000 0.836 2503 A CB 0.000 19.027 19.000 0.045 0.000 0.831 2504 I N 3.684 124.293 120.570 0.065 0.000 2.441 2504 I HA 0.519 4.689 4.170 -0.000 0.000 0.287 2504 I C -0.736 175.413 176.117 0.053 0.000 1.049 2504 I CA -0.601 60.730 61.300 0.053 0.000 1.381 2504 I CB 0.248 38.274 38.000 0.043 0.000 1.409 2504 I HN 0.472 nan 8.210 nan 0.000 0.523 2505 I N 7.745 128.331 120.570 0.027 0.000 2.365 2505 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 2505 I C 0.377 176.494 176.117 0.001 0.000 1.004 2505 I CA -0.237 61.077 61.300 0.024 0.000 1.311 2505 I CB 1.040 39.065 38.000 0.041 0.000 1.401 2505 I HN 0.646 nan 8.210 nan 0.000 0.491 2506 R N 6.053 126.550 120.500 -0.006 0.000 2.338 2506 R HA 0.509 4.849 4.340 -0.000 0.000 0.317 2506 R C -0.405 176.036 176.300 0.235 0.000 0.968 2506 R CA -0.749 55.386 56.100 0.059 0.000 0.849 2506 R CB 1.749 32.030 30.300 -0.032 0.000 1.128 2506 R HN 0.606 nan 8.270 nan 0.000 0.448 2507 K N 0.710 121.169 120.400 0.098 0.000 2.395 2507 K HA 0.271 4.591 4.320 -0.000 0.000 0.245 2507 K C -0.712 175.583 176.600 -0.508 0.000 1.017 2507 K CA -1.015 55.260 56.287 -0.021 0.000 0.852 2507 K CB 1.336 33.823 32.500 -0.022 0.000 1.311 2507 K HN 0.304 nan 8.250 nan 0.000 0.452 2508 N N 0.580 118.850 118.700 -0.717 0.000 2.411 2508 N HA -0.086 4.654 4.740 -0.000 0.000 0.261 2508 N C 1.216 176.484 175.510 -0.402 0.000 1.248 2508 N CA -0.198 52.328 53.050 -0.873 0.000 0.885 2508 N CB 0.705 38.958 38.487 -0.391 0.000 1.062 2508 N HN 0.562 nan 8.380 nan 0.000 0.471 2509 V N 1.412 121.134 119.914 -0.319 0.000 2.370 2509 V HA -0.315 3.805 4.120 -0.000 0.000 0.252 2509 V C 1.669 177.688 176.094 -0.125 0.000 1.068 2509 V CA 2.043 64.242 62.300 -0.168 0.000 1.061 2509 V CB -0.981 30.782 31.823 -0.101 0.000 0.656 2509 V HN 0.891 nan 8.190 nan 0.000 0.455 2510 N N 1.367 120.010 118.700 -0.096 0.000 2.434 2510 N HA -0.022 4.718 4.740 -0.000 0.000 0.196 2510 N C 1.094 176.571 175.510 -0.055 0.000 1.183 2510 N CA 0.844 53.860 53.050 -0.057 0.000 0.849 2510 N CB -0.191 38.287 38.487 -0.015 0.000 0.992 2510 N HN 0.740 nan 8.380 nan 0.000 0.460 2511 S N -0.967 114.687 115.700 -0.078 0.000 2.650 2511 S HA 0.294 4.764 4.470 -0.000 0.000 0.240 2511 S C 0.123 174.692 174.600 -0.051 0.000 1.007 2511 S CA -0.822 57.346 58.200 -0.053 0.000 0.984 2511 S CB -0.312 62.859 63.200 -0.049 0.000 0.910 2511 S HN 0.146 nan 8.310 nan 0.000 0.509 2512 L N 3.429 124.612 121.223 -0.066 0.000 2.380 2512 L HA 0.351 4.691 4.340 -0.000 0.000 0.273 2512 L C 0.933 177.784 176.870 -0.033 0.000 1.138 2512 L CA -0.368 54.437 54.840 -0.059 0.000 0.832 2512 L CB 0.972 42.977 42.059 -0.089 0.000 1.124 2512 L HN 0.349 nan 8.230 nan 0.000 0.454 2513 T N -0.388 114.160 114.554 -0.010 0.000 2.904 2513 T HA 0.233 4.583 4.350 -0.000 0.000 0.290 2513 T C -1.873 172.832 174.700 0.008 0.000 1.018 2513 T CA -1.828 60.276 62.100 0.006 0.000 1.075 2513 T CB 1.414 70.299 68.868 0.029 0.000 0.986 2513 T HN 0.331 nan 8.240 nan 0.000 0.523 2514 P HA -0.170 nan 4.420 nan 0.000 0.218 2514 P C 1.827 179.139 177.300 0.020 0.000 1.146 2514 P CA 1.458 64.561 63.100 0.005 0.000 0.813 2514 P CB -0.048 31.654 31.700 0.002 0.000 0.778 2515 S N -1.752 113.970 115.700 0.037 0.000 2.395 2515 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 2515 S C 1.745 176.426 174.600 0.136 0.000 1.027 2515 S CA 1.060 59.295 58.200 0.059 0.000 0.965 2515 S CB -1.181 62.039 63.200 0.034 0.000 0.812 2515 S HN 0.028 nan 8.310 nan 0.000 0.482 2516 D N 2.173 122.657 120.400 0.141 0.000 2.106 2516 D HA -0.055 4.585 4.640 -0.000 0.000 0.191 2516 D C 1.966 178.288 176.300 0.037 0.000 0.997 2516 D CA 1.431 55.494 54.000 0.105 0.000 0.834 2516 D CB -0.469 40.330 40.800 -0.001 0.000 0.956 2516 D HN 0.444 nan 8.370 nan 0.000 0.448 2517 I N 0.724 121.293 120.570 -0.002 0.000 2.163 2517 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 2517 I C 2.549 178.669 176.117 0.005 0.000 1.085 2517 I CA 1.047 62.323 61.300 -0.040 0.000 1.347 2517 I CB -0.265 37.705 38.000 -0.051 0.000 1.044 2517 I HN -0.022 nan 8.210 nan 0.000 0.408 2518 K N 0.871 121.292 120.400 0.034 0.000 2.026 2518 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 2518 K C 1.989 178.635 176.600 0.076 0.000 1.048 2518 K CA 1.482 57.797 56.287 0.047 0.000 0.929 2518 K CB -0.071 32.451 32.500 0.036 0.000 0.713 2518 K HN 0.259 nan 8.250 nan 0.000 0.439 2519 E N 0.911 121.181 120.200 0.117 0.000 2.110 2519 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 2519 E C 2.212 178.890 176.600 0.128 0.000 0.988 2519 E CA 0.734 57.225 56.400 0.152 0.000 0.804 2519 E CB -0.181 29.713 29.700 0.323 0.000 0.745 2519 E HN 0.328 nan 8.360 nan 0.000 0.458 2520 L N 0.274 121.560 121.223 0.105 0.000 2.027 2520 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 2520 L C 2.717 179.748 176.870 0.269 0.000 1.074 2520 L CA 1.042 55.968 54.840 0.145 0.000 0.745 2520 L CB -0.182 41.902 42.059 0.042 0.000 0.898 2520 L HN 0.026 nan 8.230 nan 0.000 0.433 2521 R N -0.293 120.333 120.500 0.210 0.000 2.096 2521 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 2521 R C 1.848 178.231 176.300 0.138 0.000 1.127 2521 R CA 1.513 57.761 56.100 0.246 0.000 0.968 2521 R CB -0.278 30.112 30.300 0.150 0.000 0.861 2521 R HN 0.380 nan 8.270 nan 0.000 0.440 2522 D N 0.426 120.884 120.400 0.097 0.000 2.077 2522 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 2522 D C 1.845 178.174 176.300 0.048 0.000 0.986 2522 D CA 1.558 55.592 54.000 0.057 0.000 0.829 2522 D CB -0.435 40.395 40.800 0.050 0.000 0.983 2522 D HN 0.174 nan 8.370 nan 0.000 0.453 2523 A N 0.748 123.609 122.820 0.068 0.000 1.948 2523 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 2523 A C 2.125 179.721 177.584 0.022 0.000 1.177 2523 A CA 2.079 54.145 52.037 0.049 0.000 0.636 2523 A CB -0.566 18.473 19.000 0.066 0.000 0.815 2523 A HN 0.201 nan 8.150 nan 0.000 0.449 2524 M N 0.025 119.644 119.600 0.032 0.000 2.175 2524 M HA 0.087 4.567 4.480 -0.000 0.000 0.264 2524 M C 2.079 178.300 176.300 -0.131 0.000 1.063 2524 M CA 1.487 56.737 55.300 -0.084 0.000 1.119 2524 M CB -0.701 31.774 32.600 -0.209 0.000 1.377 2524 M HN 0.354 nan 8.290 nan 0.000 0.415 2525 A N -0.186 122.588 122.820 -0.076 0.000 1.930 2525 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 2525 A C 2.165 179.703 177.584 -0.077 0.000 1.175 2525 A CA 1.774 53.755 52.037 -0.093 0.000 0.627 2525 A CB -0.584 18.385 19.000 -0.051 0.000 0.815 2525 A HN 0.598 nan 8.150 nan 0.000 0.443 2526 K N -0.548 119.825 120.400 -0.044 0.000 2.155 2526 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 2526 K C 1.747 178.330 176.600 -0.028 0.000 1.052 2526 K CA 1.119 57.389 56.287 -0.029 0.000 0.948 2526 K CB -0.175 32.319 32.500 -0.010 0.000 0.728 2526 K HN 0.288 nan 8.250 nan 0.000 0.448 2527 V N 1.774 121.669 119.914 -0.032 0.000 2.427 2527 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 2527 V C 2.084 178.180 176.094 0.004 0.000 1.051 2527 V CA 1.604 63.900 62.300 -0.006 0.000 1.048 2527 V CB -0.403 31.423 31.823 0.005 0.000 0.666 2527 V HN 0.330 nan 8.190 nan 0.000 0.456 2528 Q N -0.318 119.427 119.800 -0.092 0.000 2.224 2528 Q HA -0.061 4.279 4.340 -0.000 0.000 0.203 2528 Q C 2.250 178.208 176.000 -0.069 0.000 0.970 2528 Q CA 1.486 57.190 55.803 -0.164 0.000 0.865 2528 Q CB -0.209 28.308 28.738 -0.367 0.000 0.922 2528 Q HN 0.677 nan 8.270 nan 0.000 0.445 2529 A N 0.832 123.620 122.820 -0.053 0.000 2.081 2529 A HA -0.051 4.268 4.320 -0.000 0.000 0.214 2529 A C 0.650 178.230 177.584 -0.006 0.000 1.158 2529 A CA 0.003 52.021 52.037 -0.032 0.000 0.724 2529 A CB 0.111 19.089 19.000 -0.037 0.000 0.826 2529 A HN 0.177 nan 8.150 nan 0.000 0.463 2530 D N 0.987 121.388 120.400 0.003 0.000 2.401 2530 D HA 0.116 4.756 4.640 -0.000 0.000 0.254 2530 D C 0.980 177.296 176.300 0.027 0.000 1.192 2530 D CA 0.923 54.931 54.000 0.012 0.000 0.885 2530 D CB 0.916 41.722 40.800 0.010 0.000 1.147 2530 D HN 0.219 nan 8.370 nan 0.000 0.478 2531 T N 0.201 114.769 114.554 0.023 0.000 3.107 2531 T HA 0.074 4.424 4.350 -0.000 0.000 0.249 2531 T C 1.170 175.888 174.700 0.029 0.000 1.096 2531 T CA -0.177 61.942 62.100 0.032 0.000 1.012 2531 T CB -0.273 68.612 68.868 0.027 0.000 0.977 2531 T HN 0.365 nan 8.240 nan 0.000 0.527 2532 S N 1.426 117.139 115.700 0.021 0.000 2.640 2532 S HA 0.165 4.635 4.470 -0.000 0.000 0.262 2532 S C 0.609 175.220 174.600 0.017 0.000 1.232 2532 S CA -0.489 57.722 58.200 0.018 0.000 0.988 2532 S CB 0.372 63.579 63.200 0.013 0.000 1.034 2532 S HN 0.011 nan 8.310 nan 0.000 0.569 2533 D N 0.250 120.660 120.400 0.017 0.000 2.378 2533 D HA 0.063 4.703 4.640 -0.000 0.000 0.227 2533 D C 0.580 176.872 176.300 -0.014 0.000 1.012 2533 D CA 0.601 54.612 54.000 0.018 0.000 0.905 2533 D CB -0.357 40.465 40.800 0.036 0.000 0.895 2533 D HN 0.463 nan 8.370 nan 0.000 0.532 2534 N N -0.148 118.541 118.700 -0.019 0.000 2.204 2534 N HA 0.098 4.838 4.740 -0.000 0.000 0.219 2534 N C 0.392 175.874 175.510 -0.046 0.000 1.151 2534 N CA -0.081 52.943 53.050 -0.044 0.000 0.867 2534 N CB 0.897 39.371 38.487 -0.022 0.000 1.043 2534 N HN 0.008 nan 8.380 nan 0.000 0.516 2535 G N -0.954 107.832 108.800 -0.024 0.000 2.522 2535 G HA2 0.122 4.082 3.960 -0.000 0.000 0.304 2535 G HA3 0.122 4.082 3.960 -0.000 0.000 0.304 2535 G C 0.512 175.423 174.900 0.017 0.000 1.210 2535 G CA -0.379 44.728 45.100 0.013 0.000 0.960 2535 G HN 0.163 nan 8.290 nan 0.000 0.497 2536 Y N -0.176 120.078 120.300 -0.077 0.000 2.070 2536 Y HA -0.228 4.322 4.550 -0.000 0.000 0.280 2536 Y C 3.165 179.045 175.900 -0.033 0.000 1.148 2536 Y CA 2.499 60.549 58.100 -0.084 0.000 1.125 2536 Y CB 0.135 38.560 38.460 -0.058 0.000 0.975 2536 Y HN 0.402 nan 8.280 nan 0.000 0.492 2537 Q N 0.042 119.998 119.800 0.261 0.000 2.181 2537 Q HA -0.234 4.106 4.340 -0.000 0.000 0.205 2537 Q C 2.132 178.188 176.000 0.093 0.000 0.980 2537 Q CA 1.785 57.741 55.803 0.254 0.000 0.862 2537 Q CB -0.355 28.536 28.738 0.255 0.000 0.905 2537 Q HN 0.320 nan 8.270 nan 0.000 0.429 2538 K N 1.065 121.476 120.400 0.018 0.000 2.076 2538 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 2538 K C 1.950 178.443 176.600 -0.179 0.000 1.051 2538 K CA 0.788 57.065 56.287 -0.016 0.000 0.949 2538 K CB -0.239 32.255 32.500 -0.010 0.000 0.726 2538 K HN 0.134 nan 8.250 nan 0.000 0.443 2539 I N 0.471 120.828 120.570 -0.355 0.000 2.202 2539 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 2539 I C 2.245 178.089 176.117 -0.454 0.000 1.091 2539 I CA 1.141 62.057 61.300 -0.640 0.000 1.368 2539 I CB -0.501 37.186 38.000 -0.521 0.000 1.058 2539 I HN 0.192 nan 8.210 nan 0.000 0.410 2540 A N 0.191 122.740 122.820 -0.451 0.000 1.986 2540 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 2540 A C 2.436 179.793 177.584 -0.378 0.000 1.171 2540 A CA 2.192 53.890 52.037 -0.565 0.000 0.640 2540 A CB -0.725 17.683 19.000 -0.988 0.000 0.811 2540 A HN 0.400 nan 8.150 nan 0.000 0.451 2541 S N -1.377 114.237 115.700 -0.144 0.000 2.442 2541 S HA -0.110 4.360 4.470 -0.000 0.000 0.236 2541 S C 1.631 176.328 174.600 0.161 0.000 1.007 2541 S CA 0.940 59.168 58.200 0.046 0.000 0.965 2541 S CB -0.493 62.777 63.200 0.116 0.000 0.773 2541 S HN 0.658 nan 8.310 nan 0.000 0.504 2542 Y N 1.111 121.377 120.300 -0.057 0.000 2.315 2542 Y HA -0.122 4.428 4.550 -0.000 0.000 0.288 2542 Y C 2.402 178.436 175.900 0.223 0.000 1.154 2542 Y CA 0.625 58.723 58.100 -0.002 0.000 1.229 2542 Y CB -0.850 37.545 38.460 -0.107 0.000 0.980 2542 Y HN 0.462 nan 8.280 nan 0.000 0.540 2543 H N -0.981 118.247 119.070 0.264 0.000 2.266 2543 H HA 0.036 4.592 4.556 -0.000 0.000 0.308 2543 H C 1.799 177.149 175.328 0.037 0.000 1.057 2543 H CA 1.595 57.762 56.048 0.198 0.000 1.330 2543 H CB -0.098 29.721 29.762 0.094 0.000 1.400 2543 H HN 0.319 nan 8.280 nan 0.000 0.503 2544 G N 0.665 109.572 108.800 0.179 0.000 2.851 2544 G HA2 0.277 4.236 3.960 -0.000 0.000 0.208 2544 G HA3 0.277 4.236 3.960 -0.000 0.000 0.208 2544 G C -0.087 174.792 174.900 -0.035 0.000 1.894 2544 G CA 0.296 45.443 45.100 0.077 0.000 0.732 2544 G HN 0.406 nan 8.290 nan 0.000 0.802 2545 I N 0.783 121.313 120.570 -0.066 0.000 2.498 2545 I HA 0.577 4.747 4.170 -0.000 0.000 0.301 2545 I C -2.492 173.698 176.117 0.122 0.000 0.984 2545 I CA -2.812 58.432 61.300 -0.093 0.000 1.204 2545 I CB 1.918 39.765 38.000 -0.256 0.000 1.362 2545 I HN 0.110 nan 8.210 nan 0.000 0.471 2546 P HA 0.136 nan 4.420 nan 0.000 0.271 2546 P C -0.468 176.784 177.300 -0.079 0.000 1.220 2546 P CA -0.185 62.909 63.100 -0.010 0.000 0.768 2546 P CB 0.726 32.443 31.700 0.028 0.000 0.848 2547 L N 2.733 123.857 121.223 -0.165 0.000 2.700 2547 L HA -0.058 4.282 4.340 -0.000 0.000 0.276 2547 L C 1.208 177.908 176.870 -0.283 0.000 1.200 2547 L CA 0.577 55.266 54.840 -0.252 0.000 0.951 2547 L CB -0.610 41.261 42.059 -0.313 0.000 1.226 2547 L HN 0.446 nan 8.230 nan 0.000 0.489 2548 S N 0.960 116.462 115.700 -0.330 0.000 2.578 2548 S HA 0.178 4.648 4.470 -0.000 0.000 0.231 2548 S C 0.071 174.378 174.600 -0.488 0.000 0.994 2548 S CA -0.455 57.556 58.200 -0.315 0.000 0.956 2548 S CB 0.248 63.319 63.200 -0.215 0.000 0.870 2548 S HN 0.632 nan 8.310 nan 0.000 0.494 2549 c N 1.553 119.658 118.600 -0.825 0.000 2.614 2549 c HA 0.722 5.292 4.570 -0.000 0.000 0.320 2549 c C -0.442 172.851 174.090 -1.327 0.000 1.200 2549 c CA -0.755 54.968 56.329 -1.011 0.000 1.700 2549 c CB 0.971 42.688 42.510 -1.323 0.000 2.275 2549 c HN 0.553 nan 8.230 nan 0.000 0.492 2550 H N -0.305 118.529 119.070 -0.393 0.000 2.806 2550 H HA 0.517 5.073 4.556 -0.000 0.000 0.367 2550 H C -1.096 174.321 175.328 0.148 0.000 1.136 2550 H CA -0.324 55.659 56.048 -0.109 0.000 1.178 2550 H CB 0.867 30.599 29.762 -0.049 0.000 1.718 2550 H HN 0.520 nan 8.280 nan 0.000 0.540 2551 Y N 0.732 121.257 120.300 0.376 0.000 2.299 2551 Y HA 0.011 4.561 4.550 -0.000 0.000 0.335 2551 Y C 1.770 177.769 175.900 0.165 0.000 1.287 2551 Y CA -0.357 57.884 58.100 0.234 0.000 1.424 2551 Y CB 0.595 39.138 38.460 0.137 0.000 1.326 2551 Y HN 0.714 nan 8.280 nan 0.000 0.567 2552 E N 1.138 121.509 120.200 0.285 0.000 2.219 2552 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 2552 E C 1.158 177.838 176.600 0.133 0.000 0.998 2552 E CA 1.514 58.011 56.400 0.163 0.000 0.818 2552 E CB -0.272 29.494 29.700 0.109 0.000 0.741 2552 E HN 0.619 nan 8.360 nan 0.000 0.477 2553 N N -1.327 117.468 118.700 0.159 0.000 2.268 2553 N HA 0.079 4.819 4.740 -0.000 0.000 0.204 2553 N C 1.037 176.627 175.510 0.133 0.000 1.124 2553 N CA 0.799 53.919 53.050 0.117 0.000 0.838 2553 N CB 0.470 39.006 38.487 0.082 0.000 0.994 2553 N HN 0.121 nan 8.380 nan 0.000 0.489 2554 G N -0.885 108.017 108.800 0.170 0.000 2.199 2554 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.254 2554 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.254 2554 G C 0.005 175.046 174.900 0.236 0.000 0.982 2554 G CA 0.529 45.718 45.100 0.147 0.000 0.632 2554 G HN 0.471 nan 8.290 nan 0.000 0.529 2555 T N 1.751 116.479 114.554 0.289 0.000 2.851 2555 T HA 0.618 4.968 4.350 -0.000 0.000 0.298 2555 T C 0.702 175.561 174.700 0.264 0.000 0.977 2555 T CA 0.524 62.805 62.100 0.302 0.000 1.126 2555 T CB 1.610 70.691 68.868 0.356 0.000 0.916 2555 T HN 1.255 nan 8.240 nan 0.000 0.529 2556 A N 3.169 126.044 122.820 0.092 0.000 2.286 2556 A HA 0.754 5.074 4.320 -0.000 0.000 0.286 2556 A C -0.720 176.762 177.584 -0.170 0.000 1.097 2556 A CA -0.639 51.245 52.037 -0.254 0.000 0.821 2556 A CB 0.221 19.016 19.000 -0.341 0.000 1.076 2556 A HN 0.909 nan 8.150 nan 0.000 0.490 2557 Y N -2.189 117.832 120.300 -0.466 0.000 2.597 2557 Y HA 0.708 5.258 4.550 -0.000 0.000 0.340 2557 Y C -0.081 175.657 175.900 -0.270 0.000 1.097 2557 Y CA -1.165 56.752 58.100 -0.306 0.000 1.037 2557 Y CB 0.782 38.986 38.460 -0.428 0.000 1.305 2557 Y HN 0.914 nan 8.280 nan 0.000 0.463 2558 A N 0.566 123.348 122.820 -0.064 0.000 2.488 2558 A HA 0.320 4.639 4.320 -0.000 0.000 0.249 2558 A C 0.579 178.032 177.584 -0.219 0.000 1.083 2558 A CA -0.036 51.913 52.037 -0.148 0.000 0.768 2558 A CB -0.309 18.668 19.000 -0.039 0.000 1.017 2558 A HN 1.052 nan 8.150 nan 0.000 0.496 2559 c N 1.501 119.911 118.600 -0.318 0.000 2.448 2559 c HA -0.001 4.569 4.570 -0.000 0.000 0.280 2559 c C 1.629 175.339 174.090 -0.634 0.000 1.398 2559 c CA 0.039 56.172 56.329 -0.326 0.000 1.774 2559 c CB -2.186 40.229 42.510 -0.158 0.000 1.888 2559 c HN 0.916 nan 8.230 nan 0.000 0.519 2560 C N 2.295 121.052 119.300 -0.905 0.000 2.634 2560 C HA 0.330 4.789 4.460 -0.000 0.000 0.418 2560 C C 0.056 174.416 174.990 -1.049 0.000 1.373 2560 C CA -0.368 57.627 59.018 -1.705 0.000 1.756 2560 C CB -0.958 26.040 27.740 -1.237 0.000 2.589 2560 C HN 0.576 nan 8.230 nan 0.000 0.602 2561 Q N 2.713 121.727 119.800 -1.310 0.000 2.349 2561 Q HA 0.428 4.768 4.340 -0.000 0.000 0.254 2561 Q C -0.593 175.107 176.000 -0.500 0.000 0.980 2561 Q CA 0.368 55.818 55.803 -0.588 0.000 0.924 2561 Q CB 0.684 29.213 28.738 -0.348 0.000 1.209 2561 Q HN 0.908 nan 8.270 nan 0.000 0.445 2562 H N -0.351 118.562 119.070 -0.262 0.000 2.865 2562 H HA 0.464 5.020 4.556 -0.000 0.000 0.372 2562 H C 0.648 175.407 175.328 -0.949 0.000 1.173 2562 H CA -0.234 55.546 56.048 -0.447 0.000 1.147 2562 H CB 1.919 31.363 29.762 -0.531 0.000 1.805 2562 H HN 0.731 nan 8.280 nan 0.000 0.553 2563 G N 0.895 108.977 108.800 -1.197 0.000 2.179 2563 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 2563 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 2563 G C -0.036 174.219 174.900 -1.075 0.000 1.010 2563 G CA 0.823 44.811 45.100 -1.853 0.000 0.736 2563 G HN 0.637 nan 8.290 nan 0.000 0.513 2564 M N -2.784 116.503 119.600 -0.521 0.000 2.569 2564 M HA 0.641 5.121 4.480 -0.000 0.000 0.279 2564 M C 0.958 177.256 176.300 -0.003 0.000 1.253 2564 M CA -0.581 54.616 55.300 -0.172 0.000 0.867 2564 M CB 1.571 34.122 32.600 -0.081 0.000 1.727 2564 M HN 0.517 nan 8.290 nan 0.000 0.467 2565 V N 0.541 120.499 119.914 0.074 0.000 2.720 2565 V HA -0.148 3.972 4.120 -0.000 0.000 0.256 2565 V C 1.612 177.819 176.094 0.189 0.000 1.082 2565 V CA 2.861 65.217 62.300 0.093 0.000 1.101 2565 V CB -0.769 31.160 31.823 0.175 0.000 0.693 2565 V HN 1.060 nan 8.190 nan 0.000 0.479 2566 T N -2.882 111.777 114.554 0.174 0.000 3.144 2566 T HA 0.065 4.415 4.350 -0.000 0.000 0.249 2566 T C 1.358 176.153 174.700 0.159 0.000 1.089 2566 T CA 0.627 62.834 62.100 0.179 0.000 0.989 2566 T CB -0.445 68.531 68.868 0.179 0.000 0.992 2566 T HN 0.625 nan 8.240 nan 0.000 0.540 2567 F N 3.741 123.684 119.950 -0.012 0.000 2.095 2567 F HA 0.055 4.582 4.527 -0.000 0.000 0.298 2567 F C -1.173 174.695 175.800 0.114 0.000 1.104 2567 F CA 0.626 58.619 58.000 -0.013 0.000 1.232 2567 F CB -1.170 37.688 39.000 -0.236 0.000 0.987 2567 F HN 0.134 nan 8.300 nan 0.000 0.475 2568 P HA -0.155 nan 4.420 nan 0.000 0.215 2568 P C 1.030 178.260 177.300 -0.117 0.000 1.157 2568 P CA 2.013 64.907 63.100 -0.343 0.000 0.863 2568 P CB -0.200 30.993 31.700 -0.846 0.000 0.787 2569 N N -1.403 117.243 118.700 -0.091 0.000 2.025 2569 N HA -0.216 4.524 4.740 -0.000 0.000 0.194 2569 N C 1.816 177.377 175.510 0.085 0.000 1.044 2569 N CA 1.381 54.499 53.050 0.113 0.000 0.851 2569 N CB -0.974 37.533 38.487 0.034 0.000 1.036 2569 N HN 0.204 nan 8.380 nan 0.000 0.422 2570 W N 1.890 123.147 121.300 -0.071 0.000 2.318 2570 W HA -0.199 4.461 4.660 -0.000 0.000 0.313 2570 W C 2.084 178.473 176.519 -0.216 0.000 1.221 2570 W CA 1.681 58.959 57.345 -0.112 0.000 1.266 2570 W CB -0.380 29.004 29.460 -0.127 0.000 1.150 2570 W HN 0.265 nan 8.180 nan 0.000 0.496 2571 H N -1.080 118.049 119.070 0.099 0.000 2.524 2571 H HA 0.007 4.563 4.556 -0.000 0.000 0.282 2571 H C 2.059 177.356 175.328 -0.050 0.000 1.016 2571 H CA 1.604 57.648 56.048 -0.006 0.000 1.270 2571 H CB -0.284 29.339 29.762 -0.231 0.000 1.394 2571 H HN 0.184 nan 8.280 nan 0.000 0.568 2572 R N 0.718 121.271 120.500 0.088 0.000 2.073 2572 R HA -0.044 4.295 4.340 -0.000 0.000 0.229 2572 R C 1.487 177.739 176.300 -0.080 0.000 1.120 2572 R CA 0.939 57.119 56.100 0.133 0.000 0.967 2572 R CB -0.139 30.343 30.300 0.304 0.000 0.862 2572 R HN 0.292 nan 8.270 nan 0.000 0.436 2573 L N 0.633 121.651 121.223 -0.342 0.000 2.072 2573 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 2573 L C 2.449 178.896 176.870 -0.705 0.000 1.079 2573 L CA 0.516 54.937 54.840 -0.699 0.000 0.752 2573 L CB -0.487 40.763 42.059 -1.350 0.000 0.906 2573 L HN 0.255 nan 8.230 nan 0.000 0.436 2574 L N -0.359 120.518 121.223 -0.577 0.000 2.083 2574 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 2574 L C 2.385 179.288 176.870 0.055 0.000 1.083 2574 L CA 1.960 56.744 54.840 -0.094 0.000 0.752 2574 L CB -0.639 41.393 42.059 -0.046 0.000 0.899 2574 L HN 0.120 nan 8.230 nan 0.000 0.433 2575 T N -0.860 113.725 114.554 0.052 0.000 2.904 2575 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 2575 T C 1.813 176.505 174.700 -0.014 0.000 1.059 2575 T CA 1.468 63.648 62.100 0.134 0.000 1.137 2575 T CB -0.126 68.816 68.868 0.123 0.000 0.879 2575 T HN 0.220 nan 8.240 nan 0.000 0.467 2576 K N 1.472 121.815 120.400 -0.096 0.000 2.103 2576 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 2576 K C 2.283 178.837 176.600 -0.076 0.000 1.052 2576 K CA 1.227 57.445 56.287 -0.114 0.000 0.945 2576 K CB -0.327 32.132 32.500 -0.069 0.000 0.722 2576 K HN 0.123 nan 8.250 nan 0.000 0.443 2577 Q N -0.147 119.614 119.800 -0.065 0.000 2.084 2577 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 2577 Q C 1.990 177.932 176.000 -0.097 0.000 0.978 2577 Q CA 2.021 57.803 55.803 -0.036 0.000 0.844 2577 Q CB -0.272 28.498 28.738 0.054 0.000 0.898 2577 Q HN 0.406 nan 8.270 nan 0.000 0.426 2578 M N 0.123 119.648 119.600 -0.125 0.000 2.254 2578 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 2578 M C 1.727 177.931 176.300 -0.161 0.000 1.066 2578 M CA 1.712 56.870 55.300 -0.236 0.000 1.123 2578 M CB -0.261 32.060 32.600 -0.465 0.000 1.388 2578 M HN 0.354 nan 8.290 nan 0.000 0.425 2579 E N -0.309 119.829 120.200 -0.103 0.000 2.031 2579 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 2579 E C 1.437 178.005 176.600 -0.053 0.000 0.994 2579 E CA 1.754 58.109 56.400 -0.076 0.000 0.800 2579 E CB -0.108 29.527 29.700 -0.108 0.000 0.752 2579 E HN 0.446 nan 8.360 nan 0.000 0.447 2580 D N 0.193 120.566 120.400 -0.046 0.000 2.133 2580 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 2580 D C 1.785 178.071 176.300 -0.024 0.000 0.997 2580 D CA 1.481 55.468 54.000 -0.022 0.000 0.840 2580 D CB -0.378 40.415 40.800 -0.011 0.000 0.947 2580 D HN 0.330 nan 8.370 nan 0.000 0.452 2581 A N 0.140 122.933 122.820 -0.046 0.000 1.933 2581 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 2581 A C 2.359 179.927 177.584 -0.027 0.000 1.175 2581 A CA 0.885 52.896 52.037 -0.043 0.000 0.628 2581 A CB -0.621 18.334 19.000 -0.074 0.000 0.814 2581 A HN 0.230 nan 8.150 nan 0.000 0.444 2582 L N -0.963 120.242 121.223 -0.030 0.000 2.072 2582 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 2582 L C 2.467 179.345 176.870 0.013 0.000 1.079 2582 L CA 0.702 55.540 54.840 -0.004 0.000 0.752 2582 L CB -0.409 41.654 42.059 0.006 0.000 0.906 2582 L HN 0.219 nan 8.230 nan 0.000 0.436 2583 V N 0.107 120.025 119.914 0.008 0.000 2.427 2583 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 2583 V C 2.659 178.768 176.094 0.024 0.000 1.051 2583 V CA 1.738 64.050 62.300 0.020 0.000 1.048 2583 V CB -0.634 31.198 31.823 0.014 0.000 0.666 2583 V HN 0.471 nan 8.190 nan 0.000 0.456 2584 A N -1.013 121.815 122.820 0.013 0.000 2.067 2584 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 2584 A C 1.905 179.498 177.584 0.015 0.000 1.158 2584 A CA 1.107 53.152 52.037 0.013 0.000 0.661 2584 A CB -0.184 18.819 19.000 0.006 0.000 0.801 2584 A HN 0.366 nan 8.150 nan 0.000 0.452 2585 K N -0.906 119.504 120.400 0.016 0.000 2.500 2585 K HA 0.256 4.575 4.320 -0.000 0.000 0.206 2585 K C 0.956 177.574 176.600 0.031 0.000 1.034 2585 K CA 0.609 56.907 56.287 0.018 0.000 1.179 2585 K CB 0.023 32.530 32.500 0.011 0.000 0.884 2585 K HN 0.672 nan 8.250 nan 0.000 0.493 2586 G N 0.412 109.237 108.800 0.041 0.000 2.218 2586 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 2586 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 2586 G C 0.263 175.224 174.900 0.103 0.000 0.994 2586 G CA 0.174 45.310 45.100 0.060 0.000 0.637 2586 G HN 0.287 nan 8.290 nan 0.000 0.505 2587 S N 1.381 117.134 115.700 0.089 0.000 2.549 2587 S HA 0.400 4.870 4.470 -0.000 0.000 0.286 2587 S C 1.541 176.208 174.600 0.111 0.000 1.314 2587 S CA 0.543 58.803 58.200 0.100 0.000 1.062 2587 S CB 0.215 63.438 63.200 0.038 0.000 0.865 2587 S HN 0.649 nan 8.310 nan 0.000 0.498 2588 H N 3.010 122.092 119.070 0.021 0.000 2.586 2588 H HA 0.419 4.975 4.556 -0.000 0.000 0.273 2588 H C 0.123 175.463 175.328 0.020 0.000 0.997 2588 H CA -0.193 55.866 56.048 0.018 0.000 1.177 2588 H CB -0.396 29.374 29.762 0.014 0.000 1.471 2588 H HN 0.292 nan 8.280 nan 0.000 0.538 2589 V N 0.903 120.590 119.914 -0.379 0.000 2.876 2589 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 2589 V C 0.532 176.549 176.094 -0.130 0.000 1.085 2589 V CA -0.426 61.706 62.300 -0.281 0.000 0.945 2589 V CB 2.079 33.642 31.823 -0.434 0.000 1.017 2589 V HN 0.571 nan 8.190 nan 0.000 0.428 2590 G N 3.485 112.239 108.800 -0.077 0.000 2.653 2590 G HA2 0.401 4.360 3.960 -0.000 0.000 0.265 2590 G HA3 0.401 4.360 3.960 -0.000 0.000 0.265 2590 G C -0.072 174.814 174.900 -0.023 0.000 1.237 2590 G CA -0.756 44.312 45.100 -0.054 0.000 0.946 2590 G HN 0.730 nan 8.290 nan 0.000 0.522 2591 I N 2.808 123.377 120.570 -0.002 0.000 2.581 2591 I HA 0.081 4.251 4.170 -0.000 0.000 0.285 2591 I C -1.495 174.687 176.117 0.108 0.000 1.129 2591 I CA -1.085 60.270 61.300 0.091 0.000 1.397 2591 I CB 0.909 38.994 38.000 0.142 0.000 1.399 2591 I HN 0.259 nan 8.210 nan 0.000 0.537 2592 P HA 0.064 nan 4.420 nan 0.000 0.274 2592 P C -1.338 176.060 177.300 0.163 0.000 1.231 2592 P CA -0.116 63.010 63.100 0.044 0.000 0.790 2592 P CB 0.505 32.160 31.700 -0.076 0.000 0.951 2593 Y N -0.739 119.659 120.300 0.163 0.000 2.342 2593 Y HA 0.547 5.097 4.550 -0.000 0.000 0.334 2593 Y C -0.587 175.445 175.900 0.220 0.000 1.067 2593 Y CA -1.565 56.651 58.100 0.193 0.000 1.128 2593 Y CB 0.635 39.192 38.460 0.161 0.000 1.200 2593 Y HN 0.376 nan 8.280 nan 0.000 0.464 2594 W N 6.473 127.890 121.300 0.195 0.000 2.367 2594 W HA 0.296 4.956 4.660 -0.000 0.000 0.329 2594 W C -0.616 175.959 176.519 0.093 0.000 1.066 2594 W CA -1.638 55.767 57.345 0.100 0.000 1.435 2594 W CB 0.518 30.044 29.460 0.110 0.000 1.296 2594 W HN 0.719 nan 8.180 nan 0.000 0.401 2595 D N 6.927 127.379 120.400 0.086 0.000 2.489 2595 D HA -0.074 4.566 4.640 -0.000 0.000 0.237 2595 D C 1.376 177.409 176.300 -0.445 0.000 1.212 2595 D CA -0.222 53.670 54.000 -0.180 0.000 1.058 2595 D CB -0.213 40.617 40.800 0.050 0.000 1.098 2595 D HN 0.605 nan 8.370 nan 0.000 0.509 2596 W N 2.498 123.371 121.300 -0.712 0.000 3.077 2596 W HA -0.020 4.640 4.660 -0.000 0.000 0.245 2596 W C 0.813 177.249 176.519 -0.138 0.000 1.316 2596 W CA 0.592 57.437 57.345 -0.835 0.000 1.537 2596 W CB -1.268 27.217 29.460 -1.624 0.000 1.131 2596 W HN 0.302 nan 8.180 nan 0.000 0.695 2597 T N -1.711 112.859 114.554 0.026 0.000 3.088 2597 T HA 0.016 4.366 4.350 -0.000 0.000 0.259 2597 T C 0.702 175.707 174.700 0.508 0.000 1.122 2597 T CA 0.498 62.832 62.100 0.389 0.000 1.095 2597 T CB -0.387 68.660 68.868 0.298 0.000 0.930 2597 T HN -0.140 nan 8.240 nan 0.000 0.508 2598 T N 3.572 118.291 114.554 0.275 0.000 2.806 2598 T HA 0.386 4.736 4.350 -0.000 0.000 0.290 2598 T C 0.008 174.912 174.700 0.339 0.000 0.966 2598 T CA -0.446 61.743 62.100 0.149 0.000 1.060 2598 T CB 1.132 69.952 68.868 -0.081 0.000 0.927 2598 T HN 0.374 nan 8.240 nan 0.000 0.485 2599 T N 4.773 119.482 114.554 0.259 0.000 2.933 2599 T HA 0.272 4.622 4.350 -0.000 0.000 0.306 2599 T C -0.182 174.719 174.700 0.334 0.000 1.045 2599 T CA 0.112 62.343 62.100 0.218 0.000 1.143 2599 T CB -0.580 68.371 68.868 0.138 0.000 1.003 2599 T HN 0.526 nan 8.240 nan 0.000 0.540 2600 F N -1.390 118.745 119.950 0.308 0.000 2.608 2600 F HA 0.723 5.250 4.527 -0.000 0.000 0.309 2600 F C 0.181 176.223 175.800 0.404 0.000 1.103 2600 F CA -1.686 56.522 58.000 0.346 0.000 0.954 2600 F CB 1.168 40.458 39.000 0.483 0.000 1.267 2600 F HN 0.497 nan 8.300 nan 0.000 0.444 2601 A N 2.350 125.422 122.820 0.419 0.000 2.308 2601 A HA 0.445 4.765 4.320 -0.000 0.000 0.217 2601 A C -0.306 177.286 177.584 0.013 0.000 1.216 2601 A CA 0.523 52.687 52.037 0.212 0.000 0.864 2601 A CB -0.993 18.050 19.000 0.072 0.000 0.902 2601 A HN 0.888 nan 8.150 nan 0.000 0.499 2602 N N -2.097 116.820 118.700 0.361 0.000 3.127 2602 N HA 0.375 5.114 4.740 -0.000 0.000 0.239 2602 N C -1.031 174.702 175.510 0.372 0.000 1.407 2602 N CA -0.795 52.345 53.050 0.151 0.000 0.891 2602 N CB 0.258 38.714 38.487 -0.052 0.000 1.447 2602 N HN -0.050 nan 8.380 nan 0.000 0.507 2603 L N 0.198 121.541 121.223 0.200 0.000 2.483 2603 L HA 0.334 4.674 4.340 -0.000 0.000 0.275 2603 L C -1.646 175.056 176.870 -0.280 0.000 1.220 2603 L CA -1.353 53.367 54.840 -0.200 0.000 0.833 2603 L CB -0.021 41.926 42.059 -0.186 0.000 1.102 2603 L HN 0.504 nan 8.230 nan 0.000 0.490 2604 P HA -0.004 nan 4.420 nan 0.000 0.268 2604 P C 0.904 178.085 177.300 -0.199 0.000 1.205 2604 P CA -0.257 62.644 63.100 -0.331 0.000 0.771 2604 P CB 0.845 32.280 31.700 -0.442 0.000 0.858 2605 V N 2.929 122.774 119.914 -0.115 0.000 2.380 2605 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 2605 V C 2.513 178.565 176.094 -0.070 0.000 1.063 2605 V CA 1.736 63.994 62.300 -0.069 0.000 1.055 2605 V CB -1.390 30.406 31.823 -0.046 0.000 0.657 2605 V HN 0.468 nan 8.190 nan 0.000 0.455 2606 L N 1.260 122.411 121.223 -0.121 0.000 2.064 2606 L HA -0.185 4.155 4.340 -0.000 0.000 0.216 2606 L C 2.307 179.135 176.870 -0.069 0.000 1.077 2606 L CA 2.745 57.492 54.840 -0.154 0.000 0.766 2606 L CB -0.488 41.401 42.059 -0.282 0.000 0.890 2606 L HN 0.405 nan 8.230 nan 0.000 0.435 2607 V N -4.993 114.891 119.914 -0.051 0.000 3.590 2607 V HA 0.087 4.207 4.120 -0.000 0.000 0.265 2607 V C 1.939 178.070 176.094 0.062 0.000 1.239 2607 V CA 0.937 63.267 62.300 0.050 0.000 1.117 2607 V CB -0.921 30.906 31.823 0.007 0.000 0.818 2607 V HN 0.584 nan 8.190 nan 0.000 0.451 2608 T N -2.238 112.342 114.554 0.044 0.000 3.044 2608 T HA 0.170 4.520 4.350 -0.000 0.000 0.255 2608 T C 0.719 175.548 174.700 0.215 0.000 1.073 2608 T CA 0.114 62.277 62.100 0.104 0.000 1.125 2608 T CB -0.421 68.464 68.868 0.029 0.000 0.908 2608 T HN 0.578 nan 8.240 nan 0.000 0.480 2609 E N 1.868 122.155 120.200 0.145 0.000 2.415 2609 E HA 0.035 4.385 4.350 -0.000 0.000 0.260 2609 E C 0.761 177.421 176.600 0.101 0.000 1.016 2609 E CA -0.062 56.397 56.400 0.098 0.000 0.924 2609 E CB 0.633 30.364 29.700 0.051 0.000 0.961 2609 E HN 0.561 nan 8.360 nan 0.000 0.459 2610 E N 3.193 123.366 120.200 -0.045 0.000 2.112 2610 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 2610 E C -0.140 176.335 176.600 -0.209 0.000 0.979 2610 E CA 0.730 56.920 56.400 -0.349 0.000 0.814 2610 E CB 0.156 29.685 29.700 -0.284 0.000 0.762 2610 E HN 0.291 nan 8.360 nan 0.000 0.460 2611 K N 1.957 122.305 120.400 -0.087 0.000 2.312 2611 K HA 0.061 4.381 4.320 -0.000 0.000 0.287 2611 K C -0.913 175.676 176.600 -0.018 0.000 1.062 2611 K CA -0.092 56.165 56.287 -0.049 0.000 0.934 2611 K CB 0.673 33.153 32.500 -0.033 0.000 1.027 2611 K HN -0.075 nan 8.250 nan 0.000 0.478 2612 D N 1.831 122.223 120.400 -0.013 0.000 2.740 2612 D HA -0.216 4.424 4.640 -0.000 0.000 0.231 2612 D C -0.924 175.390 176.300 0.025 0.000 1.194 2612 D CA 0.927 54.928 54.000 0.002 0.000 0.673 2612 D CB -0.765 40.035 40.800 0.000 0.000 0.995 2612 D HN 0.412 nan 8.370 nan 0.000 0.411 2613 N N -0.522 118.202 118.700 0.041 0.000 2.504 2613 N HA 0.272 5.012 4.740 -0.000 0.000 0.280 2613 N C 0.548 176.114 175.510 0.094 0.000 1.052 2613 N CA -0.366 52.745 53.050 0.102 0.000 0.887 2613 N CB 1.276 39.846 38.487 0.139 0.000 1.323 2613 N HN -0.062 nan 8.380 nan 0.000 0.509 2614 S N 1.939 117.689 115.700 0.084 0.000 2.507 2614 S HA -0.010 4.459 4.470 -0.000 0.000 0.235 2614 S C 1.098 175.625 174.600 -0.122 0.000 0.988 2614 S CA 0.497 58.655 58.200 -0.070 0.000 0.944 2614 S CB -0.397 62.738 63.200 -0.108 0.000 0.762 2614 S HN 0.471 nan 8.310 nan 0.000 0.526 2615 F N 1.070 121.021 119.950 0.002 0.000 2.765 2615 F HA 0.257 4.784 4.527 -0.000 0.000 0.302 2615 F C 2.311 178.158 175.800 0.078 0.000 1.111 2615 F CA -0.127 57.902 58.000 0.048 0.000 1.359 2615 F CB -0.272 38.761 39.000 0.055 0.000 1.097 2615 F HN 0.344 nan 8.300 nan 0.000 0.577 2616 H N 0.149 119.311 119.070 0.155 0.000 2.470 2616 H HA -0.029 4.527 4.556 -0.000 0.000 0.289 2616 H C 0.144 175.626 175.328 0.256 0.000 1.033 2616 H CA 1.742 57.905 56.048 0.191 0.000 1.331 2616 H CB 0.170 30.068 29.762 0.226 0.000 1.414 2616 H HN 0.328 nan 8.280 nan 0.000 0.545 2617 H N -2.713 116.429 119.070 0.119 0.000 2.868 2617 H HA 0.543 5.099 4.556 -0.000 0.000 0.278 2617 H C -1.797 173.555 175.328 0.041 0.000 1.454 2617 H CA -0.348 55.746 56.048 0.077 0.000 1.145 2617 H CB 0.702 30.539 29.762 0.125 0.000 1.808 2617 H HN 0.168 nan 8.280 nan 0.000 0.500 2618 A N 0.623 123.488 122.820 0.075 0.000 2.594 2618 A HA 0.428 4.748 4.320 -0.000 0.000 0.291 2618 A C -1.519 176.154 177.584 0.149 0.000 1.105 2618 A CA -0.707 51.308 52.037 -0.037 0.000 0.694 2618 A CB 1.855 20.858 19.000 0.005 0.000 1.291 2618 A HN 0.841 nan 8.150 nan 0.000 0.410 2619 H N 0.485 119.552 119.070 -0.004 0.000 2.472 2619 H HA 0.622 5.178 4.556 -0.000 0.000 0.335 2619 H C -1.142 174.134 175.328 -0.087 0.000 1.136 2619 H CA -0.284 55.749 56.048 -0.025 0.000 1.264 2619 H CB 0.908 30.651 29.762 -0.032 0.000 1.486 2619 H HN 0.486 nan 8.280 nan 0.000 0.517 2620 I N 4.740 124.873 120.570 -0.727 0.000 2.371 2620 I HA 0.004 4.174 4.170 -0.000 0.000 0.282 2620 I C 0.479 176.190 176.117 -0.676 0.000 1.031 2620 I CA -0.619 60.219 61.300 -0.770 0.000 1.180 2620 I CB 1.243 38.715 38.000 -0.881 0.000 1.336 2620 I HN 0.601 nan 8.210 nan 0.000 0.467 2621 D N 3.769 123.992 120.400 -0.294 0.000 2.103 2621 D HA -0.162 4.478 4.640 -0.000 0.000 0.190 2621 D C 2.210 178.446 176.300 -0.107 0.000 0.997 2621 D CA 1.316 55.268 54.000 -0.081 0.000 0.833 2621 D CB 0.067 40.913 40.800 0.077 0.000 0.961 2621 D HN 0.304 nan 8.370 nan 0.000 0.447 2622 V N 0.803 120.676 119.914 -0.069 0.000 2.439 2622 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 2622 V C 2.136 178.203 176.094 -0.046 0.000 1.074 2622 V CA 2.049 64.340 62.300 -0.016 0.000 1.076 2622 V CB -0.544 31.312 31.823 0.055 0.000 0.664 2622 V HN 0.284 nan 8.190 nan 0.000 0.461 2623 A N -1.851 120.871 122.820 -0.164 0.000 2.303 2623 A HA 0.155 4.475 4.320 -0.000 0.000 0.217 2623 A C 1.048 178.443 177.584 -0.315 0.000 1.205 2623 A CA 0.293 52.200 52.037 -0.215 0.000 0.875 2623 A CB -0.166 18.608 19.000 -0.378 0.000 0.910 2623 A HN 0.552 nan 8.150 nan 0.000 0.501 2624 N N 0.557 119.065 118.700 -0.318 0.000 2.735 2624 N HA -0.135 4.605 4.740 -0.000 0.000 0.248 2624 N C -0.090 175.250 175.510 -0.282 0.000 1.083 2624 N CA 1.563 54.482 53.050 -0.219 0.000 0.703 2624 N CB -1.420 37.025 38.487 -0.070 0.000 1.005 2624 N HN 0.818 nan 8.380 nan 0.000 0.550 2625 T N -4.257 109.944 114.554 -0.588 0.000 2.754 2625 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 2625 T C -0.869 173.540 174.700 -0.484 0.000 1.205 2625 T CA -0.963 60.852 62.100 -0.476 0.000 1.009 2625 T CB 2.469 70.907 68.868 -0.717 0.000 1.368 2625 T HN -0.161 nan 8.240 nan 0.000 0.509 2626 D N 1.686 121.951 120.400 -0.224 0.000 2.326 2626 D HA 0.500 5.140 4.640 -0.000 0.000 0.251 2626 D C 0.428 176.665 176.300 -0.106 0.000 1.023 2626 D CA -0.175 53.788 54.000 -0.062 0.000 0.966 2626 D CB 1.576 42.409 40.800 0.055 0.000 1.156 2626 D HN 0.854 nan 8.370 nan 0.000 0.494 2627 T N -1.770 112.803 114.554 0.030 0.000 2.856 2627 T HA 0.436 4.786 4.350 -0.000 0.000 0.306 2627 T C 0.403 175.160 174.700 0.095 0.000 1.062 2627 T CA -0.559 61.595 62.100 0.091 0.000 1.083 2627 T CB 0.555 69.535 68.868 0.187 0.000 0.984 2627 T HN 0.424 nan 8.240 nan 0.000 0.542 2628 T N -0.183 114.447 114.554 0.127 0.000 2.907 2628 T HA 0.752 5.102 4.350 -0.000 0.000 0.292 2628 T C -0.590 174.166 174.700 0.094 0.000 1.043 2628 T CA -1.261 60.897 62.100 0.097 0.000 1.003 2628 T CB 1.715 70.651 68.868 0.114 0.000 1.084 2628 T HN 0.783 nan 8.240 nan 0.000 0.483 2629 R N 0.209 120.749 120.500 0.066 0.000 2.771 2629 R HA 0.749 5.089 4.340 -0.000 0.000 0.274 2629 R C -1.013 175.330 176.300 0.072 0.000 0.987 2629 R CA -1.020 55.121 56.100 0.070 0.000 0.908 2629 R CB 2.290 32.616 30.300 0.044 0.000 1.213 2629 R HN 0.689 nan 8.270 nan 0.000 0.468 2630 S N 1.619 117.371 115.700 0.087 0.000 2.730 2630 S HA 0.244 4.714 4.470 -0.000 0.000 0.150 2630 S C -2.750 171.916 174.600 0.110 0.000 1.139 2630 S CA -1.001 57.251 58.200 0.086 0.000 1.155 2630 S CB 0.415 63.655 63.200 0.066 0.000 1.682 2630 S HN 0.296 nan 8.310 nan 0.000 0.452 2631 P HA 0.023 nan 4.420 nan 0.000 0.263 2631 P C -0.337 177.054 177.300 0.150 0.000 1.168 2631 P CA 0.472 63.688 63.100 0.193 0.000 0.759 2631 P CB 0.319 32.235 31.700 0.360 0.000 0.782 2632 R N 2.590 123.141 120.500 0.086 0.000 2.457 2632 R HA 0.439 4.779 4.340 -0.000 0.000 0.284 2632 R C 1.440 177.694 176.300 -0.077 0.000 1.024 2632 R CA -0.522 55.560 56.100 -0.028 0.000 1.025 2632 R CB 0.811 31.030 30.300 -0.134 0.000 1.063 2632 R HN 0.423 nan 8.270 nan 0.000 0.493 2633 A N 2.293 125.062 122.820 -0.085 0.000 1.986 2633 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 2633 A C 1.784 179.247 177.584 -0.201 0.000 1.171 2633 A CA 1.520 53.529 52.037 -0.047 0.000 0.640 2633 A CB -0.265 18.692 19.000 -0.072 0.000 0.811 2633 A HN 0.743 nan 8.150 nan 0.000 0.451 2634 Q N -0.903 118.600 119.800 -0.496 0.000 2.297 2634 Q HA -0.105 4.235 4.340 -0.000 0.000 0.208 2634 Q C 1.837 177.532 176.000 -0.507 0.000 0.981 2634 Q CA 1.191 56.529 55.803 -0.776 0.000 0.876 2634 Q CB -0.546 27.137 28.738 -1.759 0.000 0.921 2634 Q HN 0.610 nan 8.270 nan 0.000 0.446 2635 L N -0.725 120.306 121.223 -0.320 0.000 2.131 2635 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 2635 L C 0.019 176.606 176.870 -0.471 0.000 1.092 2635 L CA 1.386 56.134 54.840 -0.155 0.000 0.759 2635 L CB 0.006 41.804 42.059 -0.434 0.000 0.903 2635 L HN -0.006 nan 8.230 nan 0.000 0.435 2646 F N 1.458 121.498 119.950 0.150 0.000 2.095 2646 F HA 0.072 4.599 4.527 -0.000 0.000 0.298 2646 F C 1.559 177.374 175.800 0.025 0.000 1.104 2646 F CA 1.668 59.681 58.000 0.022 0.000 1.232 2646 F CB -0.451 38.462 39.000 -0.144 0.000 0.987 2646 F HN 0.595 nan 8.300 nan 0.000 0.475 2647 F N -0.974 119.212 119.950 0.394 0.000 2.186 2647 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 2647 F C 2.305 178.255 175.800 0.251 0.000 1.090 2647 F CA 1.623 59.817 58.000 0.324 0.000 1.307 2647 F CB -1.485 37.861 39.000 0.577 0.000 1.019 2647 F HN 0.095 nan 8.300 nan 0.000 0.489 2648 Y N 1.209 121.728 120.300 0.366 0.000 2.165 2648 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 2648 Y C 2.527 178.508 175.900 0.134 0.000 1.155 2648 Y CA 1.579 59.807 58.100 0.213 0.000 1.164 2648 Y CB -0.434 38.058 38.460 0.053 0.000 0.978 2648 Y HN -0.109 nan 8.280 nan 0.000 0.513 2649 R N -0.428 120.049 120.500 -0.039 0.000 2.075 2649 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 2649 R C 2.283 178.433 176.300 -0.250 0.000 1.126 2649 R CA 1.538 57.546 56.100 -0.153 0.000 0.963 2649 R CB -0.174 30.073 30.300 -0.087 0.000 0.858 2649 R HN 0.409 nan 8.270 nan 0.000 0.435 2650 Q N 0.124 119.747 119.800 -0.296 0.000 2.119 2650 Q HA -0.091 4.249 4.340 -0.000 0.000 0.201 2650 Q C 2.056 177.998 176.000 -0.097 0.000 0.972 2650 Q CA 1.036 56.682 55.803 -0.261 0.000 0.847 2650 Q CB 0.053 28.607 28.738 -0.307 0.000 0.903 2650 Q HN 0.337 nan 8.270 nan 0.000 0.433 2651 I N 0.237 120.792 120.570 -0.026 0.000 2.406 2651 I HA -0.074 4.096 4.170 -0.000 0.000 0.249 2651 I C 2.172 178.208 176.117 -0.135 0.000 1.122 2651 I CA 0.818 62.130 61.300 0.020 0.000 1.431 2651 I CB -1.355 36.753 38.000 0.180 0.000 1.087 2651 I HN -0.016 nan 8.210 nan 0.000 0.424 2652 A N 0.811 123.461 122.820 -0.283 0.000 1.972 2652 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 2652 A C 2.263 179.767 177.584 -0.133 0.000 1.169 2652 A CA 1.257 53.121 52.037 -0.287 0.000 0.635 2652 A CB -0.735 18.019 19.000 -0.410 0.000 0.810 2652 A HN 0.375 nan 8.150 nan 0.000 0.446 2653 L N -0.699 120.455 121.223 -0.116 0.000 2.217 2653 L HA 0.095 4.435 4.340 -0.000 0.000 0.211 2653 L C 2.495 179.342 176.870 -0.039 0.000 1.107 2653 L CA 1.781 56.581 54.840 -0.066 0.000 0.783 2653 L CB -0.651 41.355 42.059 -0.087 0.000 0.919 2653 L HN 0.307 nan 8.230 nan 0.000 0.442 2654 A N -0.498 122.307 122.820 -0.024 0.000 1.872 2654 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 2654 A C 2.184 179.892 177.584 0.208 0.000 1.187 2654 A CA 1.580 53.641 52.037 0.039 0.000 0.614 2654 A CB -0.763 18.248 19.000 0.019 0.000 0.826 2654 A HN 0.440 nan 8.150 nan 0.000 0.442 2655 L N -0.438 120.875 121.223 0.150 0.000 2.131 2655 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 2655 L C 2.581 179.584 176.870 0.221 0.000 1.092 2655 L CA 1.616 56.583 54.840 0.211 0.000 0.759 2655 L CB -0.526 41.501 42.059 -0.054 0.000 0.903 2655 L HN 0.610 nan 8.230 nan 0.000 0.435 2656 E N 0.134 120.402 120.200 0.113 0.000 2.153 2656 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 2656 E C 0.536 177.226 176.600 0.150 0.000 0.988 2656 E CA 0.420 56.875 56.400 0.092 0.000 0.811 2656 E CB 0.270 29.992 29.700 0.037 0.000 0.746 2656 E HN 0.390 nan 8.360 nan 0.000 0.466 2657 Q N 0.288 120.212 119.800 0.207 0.000 2.395 2657 Q HA -0.020 4.320 4.340 -0.000 0.000 0.271 2657 Q C 0.751 176.999 176.000 0.413 0.000 1.026 2657 Q CA 0.996 56.942 55.803 0.238 0.000 0.900 2657 Q CB 1.148 29.995 28.738 0.182 0.000 1.266 2657 Q HN 0.203 nan 8.270 nan 0.000 0.430 2658 T N -3.226 111.514 114.554 0.309 0.000 3.132 2658 T HA 0.145 4.495 4.350 -0.000 0.000 0.274 2658 T C -0.137 174.780 174.700 0.361 0.000 1.011 2658 T CA -0.438 61.835 62.100 0.289 0.000 0.899 2658 T CB 0.359 69.300 68.868 0.123 0.000 1.089 2658 T HN 0.492 nan 8.240 nan 0.000 0.543 2659 D N -0.161 120.496 120.400 0.428 0.000 2.646 2659 D HA 0.244 4.884 4.640 -0.000 0.000 0.245 2659 D C 0.124 176.690 176.300 0.443 0.000 1.099 2659 D CA -0.723 53.505 54.000 0.379 0.000 0.849 2659 D CB 1.899 42.817 40.800 0.196 0.000 1.448 2659 D HN -0.081 nan 8.370 nan 0.000 0.489 2660 F N 2.996 123.159 119.950 0.356 0.000 2.065 2660 F HA -0.224 4.302 4.527 -0.000 0.000 0.298 2660 F C 2.152 177.983 175.800 0.051 0.000 1.112 2660 F CA 1.429 59.531 58.000 0.169 0.000 1.212 2660 F CB -0.467 38.727 39.000 0.322 0.000 0.975 2660 F HN 0.524 nan 8.300 nan 0.000 0.476 2661 c N 0.470 119.051 118.600 -0.032 0.000 2.422 2661 c HA -0.169 4.400 4.570 -0.000 0.000 0.279 2661 c C 2.470 176.435 174.090 -0.209 0.000 1.305 2661 c CA 1.107 57.330 56.329 -0.178 0.000 1.757 2661 c CB -1.208 41.307 42.510 0.008 0.000 1.962 2661 c HN 0.492 nan 8.230 nan 0.000 0.499 2662 D N 0.102 120.435 120.400 -0.112 0.000 2.149 2662 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 2662 D C 1.743 177.920 176.300 -0.204 0.000 0.972 2662 D CA 0.933 54.852 54.000 -0.135 0.000 0.835 2662 D CB -0.465 40.303 40.800 -0.054 0.000 0.966 2662 D HN 0.544 nan 8.370 nan 0.000 0.476 2663 F N 2.264 121.979 119.950 -0.392 0.000 2.084 2663 F HA -0.137 4.389 4.527 -0.000 0.000 0.296 2663 F C 2.178 177.654 175.800 -0.540 0.000 1.111 2663 F CA 1.271 58.927 58.000 -0.572 0.000 1.224 2663 F CB -0.202 38.075 39.000 -1.205 0.000 0.991 2663 F HN -0.235 nan 8.300 nan 0.000 0.471 2664 E N 1.245 120.868 120.200 -0.961 0.000 2.065 2664 E HA -0.319 4.031 4.350 -0.000 0.000 0.201 2664 E C 2.389 178.617 176.600 -0.620 0.000 1.016 2664 E CA 2.138 57.980 56.400 -0.929 0.000 0.818 2664 E CB -0.899 28.265 29.700 -0.894 0.000 0.749 2664 E HN 0.688 nan 8.360 nan 0.000 0.453 2665 I N 0.632 120.872 120.570 -0.549 0.000 2.208 2665 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 2665 I C 2.307 178.156 176.117 -0.447 0.000 1.097 2665 I CA 1.362 62.272 61.300 -0.650 0.000 1.363 2665 I CB -0.046 37.451 38.000 -0.839 0.000 1.051 2665 I HN 0.116 nan 8.210 nan 0.000 0.413 2666 Q N 0.084 119.696 119.800 -0.314 0.000 2.079 2666 Q HA -0.216 4.124 4.340 -0.000 0.000 0.200 2666 Q C 2.086 177.987 176.000 -0.165 0.000 0.974 2666 Q CA 1.710 57.439 55.803 -0.123 0.000 0.840 2666 Q CB -0.762 27.889 28.738 -0.145 0.000 0.898 2666 Q HN 0.581 nan 8.270 nan 0.000 0.430 2667 F N 2.131 121.738 119.950 -0.573 0.000 2.051 2667 F HA -0.186 4.341 4.527 -0.000 0.000 0.296 2667 F C 2.367 177.923 175.800 -0.407 0.000 1.122 2667 F CA 2.009 59.664 58.000 -0.576 0.000 1.201 2667 F CB -0.361 37.860 39.000 -1.297 0.000 0.978 2667 F HN 0.145 nan 8.300 nan 0.000 0.472 2668 E N 0.254 120.002 120.200 -0.753 0.000 2.058 2668 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 2668 E C 2.266 178.524 176.600 -0.569 0.000 0.997 2668 E CA 1.841 57.612 56.400 -1.048 0.000 0.801 2668 E CB -0.225 28.780 29.700 -1.158 0.000 0.746 2668 E HN 0.411 nan 8.360 nan 0.000 0.450 2669 I N 1.069 121.358 120.570 -0.468 0.000 2.286 2669 I HA -0.145 4.024 4.170 -0.000 0.000 0.248 2669 I C 2.533 178.504 176.117 -0.244 0.000 1.115 2669 I CA 1.433 62.475 61.300 -0.430 0.000 1.392 2669 I CB -1.693 35.789 38.000 -0.864 0.000 1.065 2669 I HN 0.283 nan 8.210 nan 0.000 0.418 2670 G N 0.996 109.707 108.800 -0.149 0.000 2.421 2670 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 2670 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 2670 G C 1.637 176.523 174.900 -0.025 0.000 1.171 2670 G CA 1.033 46.129 45.100 -0.006 0.000 0.775 2670 G HN 0.544 nan 8.290 nan 0.000 0.543 2671 H N 1.428 120.370 119.070 -0.214 0.000 2.421 2671 H HA -0.037 4.519 4.556 -0.000 0.000 0.298 2671 H C 2.062 177.295 175.328 -0.158 0.000 1.087 2671 H CA 1.605 57.525 56.048 -0.213 0.000 1.330 2671 H CB -0.596 28.990 29.762 -0.293 0.000 1.388 2671 H HN 0.183 nan 8.280 nan 0.000 0.526 2672 N N 1.375 119.878 118.700 -0.328 0.000 2.272 2672 N HA -0.092 4.647 4.740 -0.000 0.000 0.185 2672 N C 2.123 177.395 175.510 -0.397 0.000 1.014 2672 N CA 1.499 54.299 53.050 -0.417 0.000 0.870 2672 N CB -0.572 37.753 38.487 -0.269 0.000 0.975 2672 N HN 0.577 nan 8.380 nan 0.000 0.433 2673 A N 0.929 123.489 122.820 -0.434 0.000 1.972 2673 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 2673 A C 2.068 179.229 177.584 -0.706 0.000 1.169 2673 A CA 0.792 52.413 52.037 -0.692 0.000 0.635 2673 A CB -0.324 18.340 19.000 -0.560 0.000 0.810 2673 A HN 0.121 nan 8.150 nan 0.000 0.446 2674 I N -0.631 119.523 120.570 -0.694 0.000 2.252 2674 I HA -0.180 3.989 4.170 -0.000 0.000 0.245 2674 I C 2.299 178.074 176.117 -0.569 0.000 1.102 2674 I CA 1.329 62.117 61.300 -0.852 0.000 1.385 2674 I CB -1.616 35.375 38.000 -1.682 0.000 1.064 2674 I HN 0.442 nan 8.210 nan 0.000 0.414 2675 H N -0.074 118.671 119.070 -0.542 0.000 2.319 2675 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 2675 H C 2.523 177.750 175.328 -0.169 0.000 1.092 2675 H CA 2.059 57.945 56.048 -0.270 0.000 1.302 2675 H CB 0.010 29.642 29.762 -0.217 0.000 1.373 2675 H HN 0.244 nan 8.280 nan 0.000 0.497 2676 S N -0.037 115.602 115.700 -0.103 0.000 2.355 2676 S HA -0.136 4.334 4.470 -0.000 0.000 0.222 2676 S C 1.813 176.493 174.600 0.134 0.000 1.031 2676 S CA 0.987 59.158 58.200 -0.048 0.000 0.993 2676 S CB -0.236 62.864 63.200 -0.166 0.000 0.859 2676 S HN 0.415 nan 8.310 nan 0.000 0.453 2677 W N 1.291 122.573 121.300 -0.030 0.000 2.678 2677 W HA 0.243 4.903 4.660 -0.000 0.000 0.256 2677 W C 2.104 178.605 176.519 -0.031 0.000 1.280 2677 W CA -0.327 56.997 57.345 -0.036 0.000 1.345 2677 W CB -1.319 28.121 29.460 -0.034 0.000 1.118 2677 W HN 0.189 nan 8.180 nan 0.000 0.629 2678 V N 0.032 120.034 119.914 0.146 0.000 2.374 2678 V HA 0.002 4.122 4.120 -0.000 0.000 0.241 2678 V C 2.452 178.612 176.094 0.110 0.000 1.034 2678 V CA 2.200 64.564 62.300 0.106 0.000 1.037 2678 V CB -1.210 30.636 31.823 0.038 0.000 0.682 2678 V HN 0.150 nan 8.190 nan 0.000 0.463 2679 G N -0.895 107.967 108.800 0.102 0.000 2.408 2679 G HA2 0.222 4.182 3.960 -0.000 0.000 0.217 2679 G HA3 0.222 4.182 3.960 -0.000 0.000 0.217 2679 G C 1.136 176.096 174.900 0.100 0.000 1.150 2679 G CA 1.181 46.346 45.100 0.108 0.000 0.776 2679 G HN 0.919 nan 8.290 nan 0.000 0.542 2680 G N -0.114 108.755 108.800 0.116 0.000 2.596 2680 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.295 2680 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.295 2680 G C 1.396 176.334 174.900 0.063 0.000 1.240 2680 G CA 1.736 46.896 45.100 0.101 0.000 0.985 2680 G HN 1.367 nan 8.290 nan 0.000 0.555 2681 S N -0.105 115.619 115.700 0.040 0.000 2.575 2681 S HA 0.425 4.895 4.470 -0.000 0.000 0.215 2681 S C 1.309 175.908 174.600 -0.002 0.000 0.966 2681 S CA 1.052 59.258 58.200 0.010 0.000 0.911 2681 S CB -0.121 63.078 63.200 -0.001 0.000 0.780 2681 S HN 2.170 nan 8.310 nan 0.000 0.514 2682 S N 3.128 118.840 115.700 0.020 0.000 2.558 2682 S HA 0.119 4.589 4.470 -0.000 0.000 0.293 2682 S C -0.954 173.628 174.600 -0.030 0.000 1.292 2682 S CA -0.722 57.486 58.200 0.014 0.000 1.063 2682 S CB 0.477 63.708 63.200 0.052 0.000 0.831 2682 S HN 0.241 nan 8.310 nan 0.000 0.499 2683 P HA -0.023 nan 4.420 nan 0.000 0.223 2683 P C -0.292 176.672 177.300 -0.560 0.000 1.151 2683 P CA 1.129 64.011 63.100 -0.364 0.000 0.787 2683 P CB -0.158 31.228 31.700 -0.524 0.000 0.788 2684 Y N -0.583 119.699 120.300 -0.030 0.000 2.629 2684 Y HA 0.536 5.086 4.550 -0.000 0.000 0.282 2684 Y C 1.230 177.180 175.900 0.083 0.000 0.994 2684 Y CA -0.648 57.391 58.100 -0.101 0.000 1.126 2684 Y CB 0.688 38.932 38.460 -0.359 0.000 1.187 2684 Y HN -0.089 nan 8.280 nan 0.000 0.600 2685 G N -0.729 108.208 108.800 0.228 0.000 3.209 2685 G HA2 0.267 4.227 3.960 -0.000 0.000 0.236 2685 G HA3 0.267 4.227 3.960 -0.000 0.000 0.236 2685 G C 0.836 175.882 174.900 0.244 0.000 1.329 2685 G CA -0.684 44.547 45.100 0.218 0.000 1.015 2685 G HN 0.030 nan 8.290 nan 0.000 0.571 2686 M N 1.008 120.733 119.600 0.209 0.000 2.446 2686 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 2686 M C 2.282 178.752 176.300 0.284 0.000 1.066 2686 M CA 1.412 56.862 55.300 0.250 0.000 1.087 2686 M CB -0.631 32.048 32.600 0.133 0.000 1.406 2686 M HN 0.527 nan 8.290 nan 0.000 0.459 2687 S N -1.022 114.784 115.700 0.177 0.000 2.593 2687 S HA 0.035 4.505 4.470 -0.000 0.000 0.217 2687 S C 0.856 175.494 174.600 0.064 0.000 0.966 2687 S CA -0.182 58.082 58.200 0.108 0.000 0.914 2687 S CB -0.764 62.480 63.200 0.073 0.000 0.776 2687 S HN 0.488 nan 8.310 nan 0.000 0.523 2688 T N -0.666 113.957 114.554 0.115 0.000 2.823 2688 T HA 0.608 4.957 4.350 -0.000 0.000 0.279 2688 T C 0.603 175.348 174.700 0.074 0.000 0.998 2688 T CA -0.896 61.236 62.100 0.054 0.000 0.994 2688 T CB 1.715 70.665 68.868 0.137 0.000 0.960 2688 T HN 0.032 nan 8.240 nan 0.000 0.448 2689 L N 1.867 123.065 121.223 -0.043 0.000 2.083 2689 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 2689 L C 2.441 179.435 176.870 0.206 0.000 1.083 2689 L CA 1.707 56.573 54.840 0.043 0.000 0.752 2689 L CB -0.692 41.282 42.059 -0.142 0.000 0.899 2689 L HN 0.892 nan 8.230 nan 0.000 0.433 2690 H N -2.342 116.687 119.070 -0.068 0.000 2.353 2690 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 2690 H C 0.796 175.921 175.328 -0.339 0.000 1.090 2690 H CA 1.663 57.531 56.048 -0.302 0.000 1.327 2690 H CB 0.127 29.522 29.762 -0.611 0.000 1.383 2690 H HN 0.391 nan 8.280 nan 0.000 0.508 2691 Y N -0.629 119.898 120.300 0.379 0.000 2.500 2691 Y HA 0.069 4.619 4.550 -0.000 0.000 0.246 2691 Y C 2.105 178.178 175.900 0.288 0.000 1.146 2691 Y CA 0.009 58.362 58.100 0.422 0.000 1.230 2691 Y CB 0.078 38.771 38.460 0.388 0.000 1.214 2691 Y HN 0.132 nan 8.280 nan 0.000 0.526 2692 T N -1.176 113.519 114.554 0.236 0.000 2.665 2692 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 2692 T C 2.085 176.625 174.700 -0.267 0.000 1.035 2692 T CA 1.862 64.042 62.100 0.134 0.000 1.151 2692 T CB -0.781 68.253 68.868 0.276 0.000 0.862 2692 T HN 0.454 nan 8.240 nan 0.000 0.438 2693 S N 0.771 115.940 115.700 -0.886 0.000 2.528 2693 S HA -0.121 4.349 4.470 -0.000 0.000 0.244 2693 S C 1.550 175.719 174.600 -0.719 0.000 0.982 2693 S CA 0.605 57.899 58.200 -1.510 0.000 0.953 2693 S CB -0.881 61.548 63.200 -1.285 0.000 0.754 2693 S HN 0.620 nan 8.310 nan 0.000 0.529 2694 Y N 1.401 121.638 120.300 -0.106 0.000 2.448 2694 Y HA 0.287 4.837 4.550 -0.000 0.000 0.289 2694 Y C 1.136 177.212 175.900 0.294 0.000 1.114 2694 Y CA -0.207 58.004 58.100 0.185 0.000 1.235 2694 Y CB -0.109 38.486 38.460 0.224 0.000 1.045 2694 Y HN 0.268 nan 8.280 nan 0.000 0.554 2695 D N 1.059 121.657 120.400 0.330 0.000 2.343 2695 D HA 0.051 4.691 4.640 -0.000 0.000 0.255 2695 D C -1.982 174.536 176.300 0.363 0.000 1.187 2695 D CA -2.054 52.130 54.000 0.306 0.000 0.875 2695 D CB 1.573 42.518 40.800 0.242 0.000 1.136 2695 D HN 0.023 nan 8.370 nan 0.000 0.469 2696 P HA -0.156 nan 4.420 nan 0.000 0.218 2696 P C 1.442 179.041 177.300 0.498 0.000 1.146 2696 P CA 0.397 63.757 63.100 0.435 0.000 0.813 2696 P CB 0.199 31.965 31.700 0.109 0.000 0.778 2697 L N -1.403 120.032 121.223 0.353 0.000 2.191 2697 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 2697 L C 2.045 179.119 176.870 0.340 0.000 1.103 2697 L CA 1.440 56.453 54.840 0.287 0.000 0.769 2697 L CB -1.425 40.707 42.059 0.123 0.000 0.908 2697 L HN -0.100 nan 8.230 nan 0.000 0.438 2698 F N -0.638 119.378 119.950 0.110 0.000 2.120 2698 F HA -0.328 4.199 4.527 -0.000 0.000 0.300 2698 F C 1.841 177.636 175.800 -0.008 0.000 1.095 2698 F CA 1.870 59.862 58.000 -0.013 0.000 1.249 2698 F CB -0.416 38.414 39.000 -0.284 0.000 0.995 2698 F HN 0.196 nan 8.300 nan 0.000 0.480 2699 Y N -0.020 120.596 120.300 0.528 0.000 2.395 2699 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 2699 Y C 2.227 178.323 175.900 0.327 0.000 1.123 2699 Y CA 0.897 59.229 58.100 0.387 0.000 1.227 2699 Y CB -0.562 38.116 38.460 0.363 0.000 1.012 2699 Y HN 0.079 nan 8.280 nan 0.000 0.552 2700 L N -1.100 120.400 121.223 0.462 0.000 2.131 2700 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 2700 L C 2.393 179.555 176.870 0.487 0.000 1.087 2700 L CA 1.431 56.530 54.840 0.433 0.000 0.767 2700 L CB -0.622 41.663 42.059 0.378 0.000 0.917 2700 L HN 0.287 nan 8.230 nan 0.000 0.441 2701 H N -0.318 118.955 119.070 0.338 0.000 2.357 2701 H HA -0.152 4.404 4.556 -0.000 0.000 0.301 2701 H C 2.233 177.626 175.328 0.109 0.000 1.082 2701 H CA 1.701 57.913 56.048 0.273 0.000 1.342 2701 H CB -0.077 29.676 29.762 -0.015 0.000 1.389 2701 H HN 0.240 nan 8.280 nan 0.000 0.511 2702 H N -0.982 118.006 119.070 -0.137 0.000 2.529 2702 H HA -0.000 4.556 4.556 -0.000 0.000 0.277 2702 H C 2.142 177.493 175.328 0.038 0.000 0.999 2702 H CA 1.003 56.929 56.048 -0.203 0.000 1.256 2702 H CB 0.189 29.712 29.762 -0.398 0.000 1.402 2702 H HN 0.385 nan 8.280 nan 0.000 0.566 2703 S N 0.176 116.020 115.700 0.240 0.000 2.395 2703 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 2703 S C 1.937 176.683 174.600 0.244 0.000 1.027 2703 S CA 0.765 59.130 58.200 0.275 0.000 0.965 2703 S CB -0.030 63.367 63.200 0.328 0.000 0.812 2703 S HN 0.510 nan 8.310 nan 0.000 0.482 2704 N N -0.157 118.670 118.700 0.211 0.000 2.171 2704 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 2704 N C 1.426 176.909 175.510 -0.045 0.000 1.021 2704 N CA 1.707 54.766 53.050 0.016 0.000 0.854 2704 N CB -0.241 38.214 38.487 -0.055 0.000 0.994 2704 N HN 0.384 nan 8.380 nan 0.000 0.426 2705 T N 0.304 114.899 114.554 0.070 0.000 2.746 2705 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 2705 T C 1.275 176.193 174.700 0.363 0.000 1.039 2705 T CA 1.480 63.688 62.100 0.179 0.000 1.142 2705 T CB -0.448 68.334 68.868 -0.144 0.000 0.866 2705 T HN 0.344 nan 8.240 nan 0.000 0.444 2706 D N 0.406 120.969 120.400 0.272 0.000 2.178 2706 D HA -0.047 4.593 4.640 -0.000 0.000 0.202 2706 D C 2.292 178.632 176.300 0.068 0.000 0.974 2706 D CA 0.663 54.860 54.000 0.327 0.000 0.841 2706 D CB -0.013 40.978 40.800 0.320 0.000 0.953 2706 D HN 0.203 nan 8.370 nan 0.000 0.478 2707 R N -0.026 120.341 120.500 -0.221 0.000 2.075 2707 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 2707 R C 2.257 178.332 176.300 -0.375 0.000 1.126 2707 R CA 0.959 56.585 56.100 -0.791 0.000 0.963 2707 R CB -0.227 29.392 30.300 -1.135 0.000 0.858 2707 R HN 0.278 nan 8.270 nan 0.000 0.435 2708 I N -0.327 120.194 120.570 -0.081 0.000 2.226 2708 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 2708 I C 2.187 178.378 176.117 0.122 0.000 1.100 2708 I CA 1.038 62.381 61.300 0.072 0.000 1.374 2708 I CB -0.415 37.757 38.000 0.287 0.000 1.057 2708 I HN 0.397 nan 8.210 nan 0.000 0.413 2709 W N 1.852 123.107 121.300 -0.075 0.000 2.358 2709 W HA -0.164 4.496 4.660 -0.000 0.000 0.303 2709 W C 2.630 179.102 176.519 -0.078 0.000 1.208 2709 W CA 1.376 58.637 57.345 -0.139 0.000 1.274 2709 W CB -0.758 28.685 29.460 -0.028 0.000 1.138 2709 W HN -0.013 nan 8.180 nan 0.000 0.515 2710 S N 0.226 115.837 115.700 -0.149 0.000 2.382 2710 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 2710 S C 1.992 176.497 174.600 -0.157 0.000 1.027 2710 S CA 1.580 59.589 58.200 -0.317 0.000 0.991 2710 S CB -0.697 62.133 63.200 -0.616 0.000 0.823 2710 S HN 0.096 nan 8.310 nan 0.000 0.469 2711 V N 0.072 119.898 119.914 -0.147 0.000 2.407 2711 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 2711 V C 1.844 177.882 176.094 -0.094 0.000 1.055 2711 V CA 1.620 63.854 62.300 -0.110 0.000 1.049 2711 V CB -0.612 31.149 31.823 -0.103 0.000 0.662 2711 V HN 0.691 nan 8.190 nan 0.000 0.455 2712 W N 0.690 121.831 121.300 -0.264 0.000 2.363 2712 W HA -0.177 4.483 4.660 -0.000 0.000 0.296 2712 W C 2.509 178.899 176.519 -0.215 0.000 1.212 2712 W CA 1.736 58.876 57.345 -0.342 0.000 1.260 2712 W CB -0.156 28.836 29.460 -0.780 0.000 1.131 2712 W HN 0.239 nan 8.180 nan 0.000 0.530 2713 Q N -0.450 119.291 119.800 -0.098 0.000 2.167 2713 Q HA -0.143 4.196 4.340 -0.000 0.000 0.202 2713 Q C 2.371 178.166 176.000 -0.342 0.000 0.970 2713 Q CA 1.568 57.277 55.803 -0.157 0.000 0.855 2713 Q CB -0.540 28.209 28.738 0.019 0.000 0.911 2713 Q HN 0.352 nan 8.270 nan 0.000 0.438 2714 A N 0.689 123.353 122.820 -0.261 0.000 1.929 2714 A HA -0.104 4.215 4.320 -0.000 0.000 0.216 2714 A C 2.026 179.459 177.584 -0.253 0.000 1.176 2714 A CA 0.763 52.641 52.037 -0.264 0.000 0.628 2714 A CB -0.485 18.425 19.000 -0.149 0.000 0.816 2714 A HN 0.261 nan 8.150 nan 0.000 0.444 2715 L N -0.707 120.351 121.223 -0.275 0.000 2.017 2715 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 2715 L C 2.923 179.639 176.870 -0.255 0.000 1.073 2715 L CA 1.224 55.935 54.840 -0.214 0.000 0.745 2715 L CB -0.421 41.469 42.059 -0.282 0.000 0.894 2715 L HN 0.399 nan 8.230 nan 0.000 0.432 2716 Q N -0.091 119.405 119.800 -0.506 0.000 2.084 2716 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 2716 Q C 2.127 177.990 176.000 -0.228 0.000 0.978 2716 Q CA 1.589 57.129 55.803 -0.439 0.000 0.844 2716 Q CB -0.211 28.151 28.738 -0.627 0.000 0.898 2716 Q HN 0.438 nan 8.270 nan 0.000 0.426 2717 K N -0.083 120.113 120.400 -0.340 0.000 2.026 2717 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 2717 K C 2.085 178.600 176.600 -0.141 0.000 1.048 2717 K CA 1.138 57.206 56.287 -0.364 0.000 0.929 2717 K CB -0.322 31.713 32.500 -0.774 0.000 0.713 2717 K HN 0.085 nan 8.250 nan 0.000 0.439 2718 Y N 1.430 121.591 120.300 -0.232 0.000 2.274 2718 Y HA -0.130 4.420 4.550 -0.000 0.000 0.290 2718 Y C 1.577 177.410 175.900 -0.113 0.000 1.145 2718 Y CA 1.597 59.606 58.100 -0.151 0.000 1.203 2718 Y CB 0.065 38.439 38.460 -0.142 0.000 0.984 2718 Y HN 0.030 nan 8.280 nan 0.000 0.533 2719 R N -0.619 119.749 120.500 -0.220 0.000 2.275 2719 R HA 0.144 4.484 4.340 -0.000 0.000 0.199 2719 R C 1.475 177.666 176.300 -0.182 0.000 0.989 2719 R CA 0.691 56.648 56.100 -0.238 0.000 1.016 2719 R CB -0.204 30.007 30.300 -0.149 0.000 0.918 2719 R HN 0.478 nan 8.270 nan 0.000 0.473 2720 G N 0.990 109.707 108.800 -0.138 0.000 2.136 2720 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 2720 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 2720 G C -0.064 174.810 174.900 -0.043 0.000 0.989 2720 G CA -0.134 44.919 45.100 -0.078 0.000 0.682 2720 G HN 0.140 nan 8.290 nan 0.000 0.522 2721 L N 0.848 122.046 121.223 -0.042 0.000 2.322 2721 L HA 0.551 4.891 4.340 -0.000 0.000 0.269 2721 L C -1.682 175.190 176.870 0.003 0.000 1.012 2721 L CA -2.674 52.146 54.840 -0.032 0.000 0.815 2721 L CB 1.693 43.715 42.059 -0.061 0.000 1.295 2721 L HN -0.126 nan 8.230 nan 0.000 0.438 2722 P HA -0.067 nan 4.420 nan 0.000 0.264 2722 P C -0.921 176.347 177.300 -0.055 0.000 1.193 2722 P CA 0.424 63.466 63.100 -0.097 0.000 0.763 2722 P CB 0.171 31.810 31.700 -0.101 0.000 0.810 2723 Y N 1.243 121.451 120.300 -0.153 0.000 2.452 2723 Y HA 0.384 4.934 4.550 -0.000 0.000 0.262 2723 Y C 1.088 176.939 175.900 -0.082 0.000 1.089 2723 Y CA 0.064 58.084 58.100 -0.133 0.000 1.262 2723 Y CB -0.360 37.990 38.460 -0.183 0.000 1.236 2723 Y HN 0.149 nan 8.280 nan 0.000 0.512 2724 N N 0.788 119.160 118.700 -0.548 0.000 2.203 2724 N HA 0.162 4.902 4.740 -0.000 0.000 0.207 2724 N C -0.458 174.597 175.510 -0.758 0.000 1.130 2724 N CA 0.515 53.311 53.050 -0.424 0.000 0.861 2724 N CB 0.763 39.039 38.487 -0.351 0.000 1.005 2724 N HN 0.436 nan 8.380 nan 0.000 0.507 2725 T N -2.666 111.390 114.554 -0.831 0.000 2.816 2725 T HA 0.801 5.151 4.350 -0.000 0.000 0.299 2725 T C -1.443 172.868 174.700 -0.647 0.000 1.230 2725 T CA -0.921 60.683 62.100 -0.827 0.000 1.007 2725 T CB 2.420 71.046 68.868 -0.404 0.000 1.289 2725 T HN -0.100 nan 8.240 nan 0.000 0.508 2726 A N 0.903 123.487 122.820 -0.393 0.000 2.437 2726 A HA 0.665 4.985 4.320 -0.000 0.000 0.293 2726 A C 0.220 177.825 177.584 0.036 0.000 1.038 2726 A CA -0.838 51.163 52.037 -0.059 0.000 0.708 2726 A CB 1.218 20.286 19.000 0.113 0.000 1.251 2726 A HN 0.713 nan 8.150 nan 0.000 0.409 2727 N N 0.308 119.050 118.700 0.070 0.000 2.467 2727 N HA 0.005 4.745 4.740 -0.000 0.000 0.184 2727 N C 0.684 176.256 175.510 0.104 0.000 1.106 2727 N CA 0.987 54.077 53.050 0.068 0.000 0.892 2727 N CB -0.280 38.237 38.487 0.050 0.000 0.969 2727 N HN 0.834 nan 8.380 nan 0.000 0.454 2728 c N -0.407 118.287 118.600 0.158 0.000 2.382 2728 c HA 0.451 5.021 4.570 -0.000 0.000 0.363 2728 c C 1.285 175.484 174.090 0.183 0.000 1.213 2728 c CA -1.154 55.270 56.329 0.158 0.000 2.363 2728 c CB 0.748 43.360 42.510 0.170 0.000 2.397 2728 c HN 0.527 nan 8.230 nan 0.000 0.573 2729 E N -0.023 120.268 120.200 0.151 0.000 2.325 2729 E HA -0.275 4.075 4.350 -0.000 0.000 0.232 2729 E C 0.961 177.657 176.600 0.159 0.000 1.276 2729 E CA 0.725 57.218 56.400 0.154 0.000 0.717 2729 E CB -0.763 29.043 29.700 0.176 0.000 1.192 2729 E HN 0.807 nan 8.360 nan 0.000 0.380 2730 I N -3.009 117.640 120.570 0.133 0.000 2.730 2730 I HA -0.326 3.844 4.170 -0.000 0.000 0.266 2730 I C 1.932 178.117 176.117 0.113 0.000 1.228 2730 I CA 1.886 63.257 61.300 0.118 0.000 1.445 2730 I CB -0.367 37.682 38.000 0.082 0.000 1.102 2730 I HN 0.289 nan 8.210 nan 0.000 0.464 2731 N N 1.907 120.674 118.700 0.111 0.000 2.197 2731 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 2731 N C 1.765 177.346 175.510 0.118 0.000 1.030 2731 N CA 0.931 54.042 53.050 0.101 0.000 0.851 2731 N CB 0.067 38.608 38.487 0.088 0.000 1.003 2731 N HN 0.446 nan 8.380 nan 0.000 0.430 2732 K N 0.845 121.326 120.400 0.135 0.000 2.209 2732 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 2732 K C 1.868 178.569 176.600 0.169 0.000 1.048 2732 K CA 0.600 56.975 56.287 0.147 0.000 0.940 2732 K CB -0.024 32.567 32.500 0.152 0.000 0.729 2732 K HN 0.275 nan 8.250 nan 0.000 0.451 2733 L N 0.944 122.282 121.223 0.192 0.000 2.551 2733 L HA -0.066 4.274 4.340 -0.000 0.000 0.228 2733 L C 1.853 178.833 176.870 0.185 0.000 1.153 2733 L CA 0.401 55.375 54.840 0.224 0.000 0.851 2733 L CB -0.200 42.033 42.059 0.290 0.000 0.959 2733 L HN 0.061 nan 8.230 nan 0.000 0.451 2734 V N -4.886 115.115 119.914 0.145 0.000 3.643 2734 V HA 0.173 4.293 4.120 -0.000 0.000 0.280 2734 V C 0.891 177.051 176.094 0.109 0.000 1.351 2734 V CA -0.349 62.022 62.300 0.118 0.000 1.073 2734 V CB -0.310 31.570 31.823 0.095 0.000 0.863 2734 V HN 0.140 nan 8.190 nan 0.000 0.436 2735 K N 2.842 123.313 120.400 0.119 0.000 2.154 2735 K HA 0.423 4.743 4.320 -0.000 0.000 0.264 2735 K C -2.448 174.229 176.600 0.128 0.000 1.008 2735 K CA -1.780 54.576 56.287 0.115 0.000 0.937 2735 K CB 0.590 33.162 32.500 0.119 0.000 1.002 2735 K HN 0.222 nan 8.250 nan 0.000 0.469 2736 P HA 0.043 nan 4.420 nan 0.000 0.275 2736 P C -0.799 176.609 177.300 0.181 0.000 1.228 2736 P CA -0.060 63.121 63.100 0.135 0.000 0.786 2736 P CB 0.580 32.347 31.700 0.111 0.000 0.927 2737 L N 2.973 124.327 121.223 0.219 0.000 2.328 2737 L HA 0.265 4.605 4.340 -0.000 0.000 0.280 2737 L C 1.050 178.127 176.870 0.345 0.000 1.111 2737 L CA -0.426 54.620 54.840 0.344 0.000 0.909 2737 L CB -0.199 42.055 42.059 0.325 0.000 1.277 2737 L HN 0.243 nan 8.230 nan 0.000 0.433 2738 K N 4.473 125.037 120.400 0.274 0.000 2.382 2738 K HA 0.129 4.448 4.320 -0.000 0.000 0.275 2738 K C -1.673 174.982 176.600 0.092 0.000 1.009 2738 K CA -1.166 55.185 56.287 0.107 0.000 0.970 2738 K CB 0.845 33.381 32.500 0.060 0.000 0.934 2738 K HN 0.247 nan 8.250 nan 0.000 0.479 2739 P HA 0.078 nan 4.420 nan 0.000 0.269 2739 P C 0.094 177.105 177.300 -0.482 0.000 1.478 2739 P CA 0.017 62.833 63.100 -0.474 0.000 1.045 2739 P CB 0.182 31.456 31.700 -0.709 0.000 1.512 2740 F N 2.159 122.020 119.950 -0.149 0.000 2.365 2740 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 2740 F C 2.174 177.958 175.800 -0.026 0.000 1.090 2740 F CA 1.145 59.099 58.000 -0.077 0.000 1.408 2740 F CB -1.049 37.888 39.000 -0.105 0.000 1.060 2740 F HN 0.100 nan 8.300 nan 0.000 0.534 2741 N N 1.175 119.948 118.700 0.122 0.000 2.463 2741 N HA -0.051 4.689 4.740 -0.000 0.000 0.181 2741 N C 0.373 175.909 175.510 0.043 0.000 1.078 2741 N CA 0.310 53.413 53.050 0.088 0.000 0.902 2741 N CB -0.417 38.121 38.487 0.085 0.000 0.970 2741 N HN 0.234 nan 8.380 nan 0.000 0.451 2742 L N 1.180 122.403 121.223 0.001 0.000 2.452 2742 L HA 0.079 4.419 4.340 -0.000 0.000 0.267 2742 L C 1.134 178.010 176.870 0.010 0.000 1.188 2742 L CA -0.427 54.407 54.840 -0.010 0.000 0.821 2742 L CB 0.449 42.474 42.059 -0.056 0.000 1.102 2742 L HN -0.113 nan 8.230 nan 0.000 0.470 2743 D N 0.354 120.761 120.400 0.012 0.000 2.218 2743 D HA -0.123 4.516 4.640 -0.000 0.000 0.204 2743 D C 1.879 178.192 176.300 0.021 0.000 0.976 2743 D CA 1.715 55.726 54.000 0.019 0.000 0.853 2743 D CB 0.068 40.877 40.800 0.015 0.000 0.939 2743 D HN 0.770 nan 8.370 nan 0.000 0.481 2744 T N -1.400 113.161 114.554 0.012 0.000 3.160 2744 T HA -0.083 4.267 4.350 -0.000 0.000 0.257 2744 T C 0.786 175.510 174.700 0.041 0.000 1.147 2744 T CA -0.303 61.808 62.100 0.018 0.000 1.064 2744 T CB -0.253 68.616 68.868 0.001 0.000 0.949 2744 T HN -0.140 nan 8.240 nan 0.000 0.526 2745 N N 3.155 121.884 118.700 0.049 0.000 2.401 2745 N HA 0.187 4.927 4.740 -0.000 0.000 0.255 2745 N C -1.332 174.235 175.510 0.094 0.000 1.110 2745 N CA -2.479 50.633 53.050 0.102 0.000 0.949 2745 N CB 1.376 39.932 38.487 0.116 0.000 1.110 2745 N HN 0.040 nan 8.380 nan 0.000 0.490 2746 P HA -0.070 nan 4.420 nan 0.000 0.234 2746 P C -0.560 176.778 177.300 0.063 0.000 1.167 2746 P CA 0.556 63.693 63.100 0.061 0.000 0.763 2746 P CB 0.102 31.829 31.700 0.045 0.000 0.835 2747 N N -0.002 118.751 118.700 0.088 0.000 2.439 2747 N HA 0.360 5.100 4.740 -0.000 0.000 0.249 2747 N C 1.221 176.787 175.510 0.093 0.000 1.003 2747 N CA -0.260 52.840 53.050 0.084 0.000 0.942 2747 N CB 0.793 39.338 38.487 0.096 0.000 1.115 2747 N HN -0.201 nan 8.380 nan 0.000 0.505 2748 A N 2.947 125.811 122.820 0.074 0.000 2.014 2748 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 2748 A C 1.737 179.380 177.584 0.098 0.000 1.163 2748 A CA 0.947 53.030 52.037 0.076 0.000 0.652 2748 A CB -0.203 18.832 19.000 0.059 0.000 0.808 2748 A HN 0.542 nan 8.150 nan 0.000 0.449 2749 V N 0.370 120.343 119.914 0.098 0.000 2.283 2749 V HA -0.195 3.925 4.120 -0.000 0.000 0.243 2749 V C 2.980 179.173 176.094 0.165 0.000 1.039 2749 V CA 2.336 64.715 62.300 0.131 0.000 1.016 2749 V CB -1.444 30.418 31.823 0.064 0.000 0.650 2749 V HN 0.791 nan 8.190 nan 0.000 0.449 2750 T N -1.471 113.139 114.554 0.094 0.000 2.915 2750 T HA -0.236 4.113 4.350 -0.000 0.000 0.269 2750 T C 1.825 176.599 174.700 0.123 0.000 1.071 2750 T CA 1.678 63.807 62.100 0.049 0.000 1.132 2750 T CB -0.264 68.596 68.868 -0.013 0.000 0.878 2750 T HN 0.469 nan 8.240 nan 0.000 0.479 2751 K N 1.169 121.659 120.400 0.150 0.000 2.155 2751 K HA 0.198 4.518 4.320 -0.000 0.000 0.203 2751 K C 2.518 179.173 176.600 0.091 0.000 1.052 2751 K CA 0.879 57.247 56.287 0.135 0.000 0.948 2751 K CB -0.477 32.090 32.500 0.111 0.000 0.728 2751 K HN 0.411 nan 8.250 nan 0.000 0.448 2752 A N 0.327 123.202 122.820 0.092 0.000 2.014 2752 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 2752 A C 0.484 177.956 177.584 -0.188 0.000 1.163 2752 A CA 1.099 53.126 52.037 -0.017 0.000 0.652 2752 A CB -0.370 18.632 19.000 0.004 0.000 0.808 2752 A HN 0.416 nan 8.150 nan 0.000 0.449 2753 H N -0.616 118.464 119.070 0.016 0.000 2.502 2753 H HA 0.252 4.808 4.556 -0.000 0.000 0.268 2753 H C 0.812 176.138 175.328 -0.002 0.000 1.177 2753 H CA 0.328 56.380 56.048 0.008 0.000 0.961 2753 H CB 0.236 29.992 29.762 -0.011 0.000 1.737 2753 H HN 0.406 nan 8.280 nan 0.000 0.569 2754 S N -0.594 115.156 115.700 0.084 0.000 2.677 2754 S HA 0.089 4.559 4.470 -0.000 0.000 0.246 2754 S C 0.648 175.311 174.600 0.104 0.000 1.005 2754 S CA -0.264 57.992 58.200 0.095 0.000 1.062 2754 S CB -0.591 62.693 63.200 0.140 0.000 0.778 2754 S HN 0.397 nan 8.310 nan 0.000 0.461 2755 T N -4.071 110.540 114.554 0.096 0.000 2.906 2755 T HA 0.701 5.051 4.350 -0.000 0.000 0.295 2755 T C 1.265 176.037 174.700 0.120 0.000 1.075 2755 T CA -0.281 61.887 62.100 0.113 0.000 1.005 2755 T CB 1.217 70.146 68.868 0.102 0.000 1.136 2755 T HN 0.070 nan 8.240 nan 0.000 0.498 2756 G N 0.429 109.312 108.800 0.140 0.000 2.442 2756 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.219 2756 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.219 2756 G C 1.647 176.662 174.900 0.192 0.000 1.141 2756 G CA 0.817 45.992 45.100 0.124 0.000 0.763 2756 G HN 1.164 nan 8.290 nan 0.000 0.554 2757 A N 0.658 123.632 122.820 0.256 0.000 1.972 2757 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 2757 A C 2.529 180.298 177.584 0.307 0.000 1.169 2757 A CA 2.509 54.741 52.037 0.325 0.000 0.635 2757 A CB -0.757 18.355 19.000 0.186 0.000 0.810 2757 A HN 0.530 nan 8.150 nan 0.000 0.446 2758 T N -2.589 112.084 114.554 0.199 0.000 3.081 2758 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 2758 T C 1.231 176.076 174.700 0.241 0.000 1.100 2758 T CA 0.889 63.097 62.100 0.179 0.000 1.038 2758 T CB -0.181 68.721 68.868 0.057 0.000 0.962 2758 T HN 0.453 nan 8.240 nan 0.000 0.516 2759 S N -0.128 115.668 115.700 0.160 0.000 2.597 2759 S HA 0.352 4.822 4.470 -0.000 0.000 0.224 2759 S C 0.926 175.529 174.600 0.005 0.000 0.955 2759 S CA -0.680 57.568 58.200 0.081 0.000 0.933 2759 S CB -0.736 62.486 63.200 0.037 0.000 0.788 2759 S HN 0.358 nan 8.310 nan 0.000 0.488 2760 F N 2.260 122.273 119.950 0.105 0.000 2.187 2760 F HA 0.150 4.677 4.527 -0.000 0.000 0.295 2760 F C 1.388 177.125 175.800 -0.106 0.000 1.091 2760 F CA 0.552 58.560 58.000 0.014 0.000 1.308 2760 F CB -0.073 38.943 39.000 0.027 0.000 1.030 2760 F HN 0.190 nan 8.300 nan 0.000 0.487 2761 D N -0.074 120.397 120.400 0.118 0.000 2.402 2761 D HA -0.025 4.615 4.640 -0.000 0.000 0.235 2761 D C 0.811 177.026 176.300 -0.141 0.000 1.226 2761 D CA -0.193 53.798 54.000 -0.015 0.000 0.918 2761 D CB 0.044 40.852 40.800 0.014 0.000 1.043 2761 D HN 0.325 nan 8.370 nan 0.000 0.506 2762 Y N 1.753 121.843 120.300 -0.349 0.000 2.352 2762 Y HA -0.069 4.481 4.550 -0.000 0.000 0.292 2762 Y C 1.702 177.204 175.900 -0.664 0.000 1.136 2762 Y CA 1.034 58.792 58.100 -0.569 0.000 1.227 2762 Y CB -0.818 37.225 38.460 -0.694 0.000 0.991 2762 Y HN 0.432 nan 8.280 nan 0.000 0.545 2763 H N 0.832 119.463 119.070 -0.731 0.000 2.422 2763 H HA -0.052 4.503 4.556 -0.000 0.000 0.298 2763 H C 1.594 176.718 175.328 -0.340 0.000 1.098 2763 H CA 1.776 57.489 56.048 -0.557 0.000 1.315 2763 H CB 0.037 29.496 29.762 -0.505 0.000 1.382 2763 H HN 0.330 nan 8.280 nan 0.000 0.523 2764 K N 0.360 120.644 120.400 -0.194 0.000 2.504 2764 K HA 0.018 4.338 4.320 -0.000 0.000 0.195 2764 K C 0.915 177.335 176.600 -0.300 0.000 1.036 2764 K CA 0.367 56.554 56.287 -0.166 0.000 0.984 2764 K CB 0.367 32.824 32.500 -0.072 0.000 0.788 2764 K HN 0.338 nan 8.250 nan 0.000 0.488 2765 L N -0.510 120.513 121.223 -0.333 0.000 2.607 2765 L HA 0.161 4.501 4.340 -0.000 0.000 0.228 2765 L C 0.930 177.753 176.870 -0.078 0.000 1.123 2765 L CA 0.129 54.821 54.840 -0.247 0.000 0.890 2765 L CB 0.144 42.110 42.059 -0.154 0.000 1.103 2765 L HN 0.339 nan 8.230 nan 0.000 0.468 2766 G N 0.476 109.206 108.800 -0.118 0.000 2.137 2766 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.237 2766 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.237 2766 G C -0.088 174.854 174.900 0.069 0.000 1.002 2766 G CA 0.489 45.580 45.100 -0.014 0.000 0.702 2766 G HN 0.500 nan 8.290 nan 0.000 0.515 2767 Y N -1.945 118.331 120.300 -0.039 0.000 2.669 2767 Y HA 0.893 5.443 4.550 -0.000 0.000 0.335 2767 Y C -0.505 175.360 175.900 -0.058 0.000 1.116 2767 Y CA -1.468 56.591 58.100 -0.069 0.000 1.081 2767 Y CB 1.468 39.853 38.460 -0.125 0.000 1.297 2767 Y HN 0.102 nan 8.280 nan 0.000 0.484 2768 D N -1.035 119.416 120.400 0.086 0.000 2.665 2768 D HA 0.367 5.007 4.640 -0.000 0.000 0.287 2768 D C -2.022 174.197 176.300 -0.134 0.000 1.266 2768 D CA -0.656 53.361 54.000 0.030 0.000 0.830 2768 D CB 1.923 42.802 40.800 0.131 0.000 1.356 2768 D HN 0.539 nan 8.370 nan 0.000 0.437 2769 Y N 0.474 120.905 120.300 0.218 0.000 2.496 2769 Y HA 0.175 4.725 4.550 -0.000 0.000 0.331 2769 Y C 1.424 177.435 175.900 0.184 0.000 1.140 2769 Y CA -0.530 57.686 58.100 0.194 0.000 1.166 2769 Y CB 1.270 39.777 38.460 0.079 0.000 1.249 2769 Y HN 0.266 nan 8.280 nan 0.000 0.479 2770 D N -0.060 120.562 120.400 0.370 0.000 2.149 2770 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 2770 D C -0.268 176.162 176.300 0.217 0.000 0.990 2770 D CA 1.656 55.801 54.000 0.241 0.000 0.839 2770 D CB -0.310 40.612 40.800 0.203 0.000 0.948 2770 D HN 0.687 nan 8.370 nan 0.000 0.460 2771 N N -2.067 116.787 118.700 0.257 0.000 3.127 2771 N HA 0.206 4.946 4.740 -0.000 0.000 0.239 2771 N C -1.198 174.380 175.510 0.114 0.000 1.407 2771 N CA -0.806 52.344 53.050 0.167 0.000 0.891 2771 N CB 0.475 39.034 38.487 0.120 0.000 1.447 2771 N HN -0.065 nan 8.380 nan 0.000 0.507 2772 L N -0.170 121.090 121.223 0.062 0.000 3.062 2772 L HA 0.396 4.736 4.340 -0.000 0.000 0.255 2772 L C -0.265 176.624 176.870 0.031 0.000 1.274 2772 L CA -0.357 54.481 54.840 -0.003 0.000 1.047 2772 L CB -0.521 41.533 42.059 -0.009 0.000 1.402 2772 L HN 0.516 nan 8.230 nan 0.000 0.550 2773 N N 1.073 119.806 118.700 0.054 0.000 2.415 2773 N HA 0.079 4.819 4.740 -0.000 0.000 0.250 2773 N C -0.661 174.919 175.510 0.117 0.000 1.127 2773 N CA -0.361 52.733 53.050 0.072 0.000 0.945 2773 N CB 0.524 39.039 38.487 0.047 0.000 1.196 2773 N HN 0.087 nan 8.380 nan 0.000 0.499 2774 F N 2.962 122.927 119.950 0.026 0.000 2.471 2774 F HA 0.073 4.600 4.527 -0.000 0.000 0.365 2774 F C 0.602 176.523 175.800 0.201 0.000 1.095 2774 F CA -0.010 58.048 58.000 0.096 0.000 1.174 2774 F CB -0.193 38.860 39.000 0.087 0.000 1.105 2774 F HN 0.587 nan 8.300 nan 0.000 0.535 2775 H N 3.717 122.501 119.070 -0.477 0.000 2.770 2775 H HA -0.147 4.409 4.556 -0.000 0.000 0.309 2775 H C 1.267 176.498 175.328 -0.162 0.000 1.206 2775 H CA 0.692 56.525 56.048 -0.358 0.000 1.147 2775 H CB -1.117 28.397 29.762 -0.414 0.000 1.422 2775 H HN 1.084 nan 8.280 nan 0.000 0.420 2776 G N -1.436 107.325 108.800 -0.064 0.000 2.168 2776 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.263 2776 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.263 2776 G C 0.388 175.289 174.900 0.002 0.000 0.977 2776 G CA 0.552 45.632 45.100 -0.033 0.000 0.659 2776 G HN 0.510 nan 8.290 nan 0.000 0.533 2777 M N 1.401 121.025 119.600 0.041 0.000 2.472 2777 M HA 0.468 4.948 4.480 -0.000 0.000 0.331 2777 M C 1.125 177.449 176.300 0.040 0.000 1.170 2777 M CA -0.169 55.157 55.300 0.043 0.000 1.009 2777 M CB 1.647 34.289 32.600 0.070 0.000 1.672 2777 M HN 0.337 nan 8.290 nan 0.000 0.453 2778 T N -1.190 113.364 114.554 0.002 0.000 2.754 2778 T HA 0.271 4.621 4.350 -0.000 0.000 0.286 2778 T C 1.300 175.957 174.700 -0.071 0.000 0.997 2778 T CA -0.843 61.238 62.100 -0.032 0.000 0.982 2778 T CB 0.844 69.680 68.868 -0.054 0.000 1.027 2778 T HN 0.490 nan 8.240 nan 0.000 0.529 2779 I N 1.213 121.699 120.570 -0.139 0.000 2.208 2779 I HA -0.028 4.142 4.170 -0.000 0.000 0.245 2779 I C -0.613 175.263 176.117 -0.402 0.000 1.097 2779 I CA 0.985 62.148 61.300 -0.229 0.000 1.363 2779 I CB -2.372 35.475 38.000 -0.255 0.000 1.051 2779 I HN 0.566 nan 8.210 nan 0.000 0.413 2780 P HA -0.093 nan 4.420 nan 0.000 0.222 2780 P C 1.456 178.659 177.300 -0.162 0.000 1.153 2780 P CA 1.106 63.844 63.100 -0.605 0.000 0.798 2780 P CB 0.038 31.456 31.700 -0.471 0.000 0.796 2781 E N -0.675 119.471 120.200 -0.090 0.000 2.072 2781 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 2781 E C 1.815 178.455 176.600 0.067 0.000 0.985 2781 E CA 0.666 57.069 56.400 0.006 0.000 0.801 2781 E CB -0.653 29.052 29.700 0.008 0.000 0.750 2781 E HN 0.113 nan 8.360 nan 0.000 0.452 2782 L N 1.624 122.883 121.223 0.060 0.000 2.046 2782 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 2782 L C 2.255 179.209 176.870 0.140 0.000 1.077 2782 L CA 1.899 56.826 54.840 0.145 0.000 0.747 2782 L CB -0.316 41.818 42.059 0.125 0.000 0.896 2782 L HN -0.019 nan 8.230 nan 0.000 0.432 2783 E N -0.338 119.907 120.200 0.074 0.000 2.077 2783 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 2783 E C 2.075 178.738 176.600 0.105 0.000 0.989 2783 E CA 1.348 57.813 56.400 0.110 0.000 0.800 2783 E CB -0.162 29.674 29.700 0.226 0.000 0.746 2783 E HN 0.460 nan 8.360 nan 0.000 0.452 2784 E N -0.270 119.998 120.200 0.112 0.000 2.077 2784 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 2784 E C 1.934 178.582 176.600 0.079 0.000 0.989 2784 E CA 1.386 57.840 56.400 0.090 0.000 0.800 2784 E CB -0.532 29.226 29.700 0.097 0.000 0.746 2784 E HN 0.518 nan 8.360 nan 0.000 0.452 2785 H N 0.001 119.092 119.070 0.035 0.000 2.321 2785 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 2785 H C 2.040 177.384 175.328 0.026 0.000 1.087 2785 H CA 1.509 57.584 56.048 0.045 0.000 1.319 2785 H CB -0.053 29.767 29.762 0.096 0.000 1.379 2785 H HN 0.144 nan 8.280 nan 0.000 0.501 2786 L N 0.543 121.723 121.223 -0.071 0.000 2.141 2786 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 2786 L C 2.810 179.590 176.870 -0.151 0.000 1.094 2786 L CA 0.929 55.691 54.840 -0.131 0.000 0.763 2786 L CB -0.263 41.788 42.059 -0.013 0.000 0.908 2786 L HN 0.211 nan 8.230 nan 0.000 0.437 2787 K N 0.316 120.636 120.400 -0.133 0.000 2.026 2787 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 2787 K C 1.945 178.254 176.600 -0.485 0.000 1.048 2787 K CA 1.464 57.618 56.287 -0.222 0.000 0.929 2787 K CB -0.191 32.212 32.500 -0.160 0.000 0.713 2787 K HN 0.345 nan 8.250 nan 0.000 0.439 2788 E N 0.809 120.750 120.200 -0.431 0.000 2.136 2788 E HA -0.236 4.114 4.350 -0.000 0.000 0.202 2788 E C 2.027 178.463 176.600 -0.273 0.000 1.019 2788 E CA 1.185 57.341 56.400 -0.406 0.000 0.819 2788 E CB -0.206 29.395 29.700 -0.164 0.000 0.739 2788 E HN 0.302 nan 8.360 nan 0.000 0.458 2789 I N 0.844 121.275 120.570 -0.232 0.000 2.361 2789 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 2789 I C 1.813 177.903 176.117 -0.045 0.000 1.133 2789 I CA 1.267 62.491 61.300 -0.126 0.000 1.413 2789 I CB -0.031 37.883 38.000 -0.143 0.000 1.073 2789 I HN 0.145 nan 8.210 nan 0.000 0.424 2790 Q N -1.044 118.721 119.800 -0.058 0.000 2.365 2790 Q HA -0.036 4.304 4.340 -0.000 0.000 0.203 2790 Q C 1.115 177.211 176.000 0.159 0.000 0.929 2790 Q CA 0.235 56.067 55.803 0.048 0.000 0.948 2790 Q CB 0.027 28.793 28.738 0.047 0.000 1.043 2790 Q HN 0.650 nan 8.270 nan 0.000 0.505 2791 H N -0.124 118.957 119.070 0.019 0.000 2.539 2791 H HA 0.146 4.702 4.556 -0.000 0.000 0.267 2791 H C 0.023 175.362 175.328 0.018 0.000 0.982 2791 H CA -0.184 55.876 56.048 0.020 0.000 1.146 2791 H CB 0.743 30.515 29.762 0.017 0.000 1.382 2791 H HN 0.101 nan 8.280 nan 0.000 0.577 2792 E N 1.246 121.522 120.200 0.127 0.000 2.195 2792 E HA 0.104 4.454 4.350 -0.000 0.000 0.271 2792 E C -0.704 175.928 176.600 0.054 0.000 0.923 2792 E CA -0.570 55.871 56.400 0.069 0.000 0.790 2792 E CB 1.889 31.612 29.700 0.037 0.000 1.155 2792 E HN 0.238 nan 8.360 nan 0.000 0.402 2793 D N 1.916 122.338 120.400 0.036 0.000 2.382 2793 D HA 0.212 4.852 4.640 -0.000 0.000 0.245 2793 D C 0.003 176.292 176.300 -0.019 0.000 1.120 2793 D CA 0.393 54.411 54.000 0.031 0.000 0.890 2793 D CB 0.947 41.764 40.800 0.028 0.000 1.201 2793 D HN 0.160 nan 8.370 nan 0.000 0.433 2794 R N 0.434 120.909 120.500 -0.042 0.000 2.725 2794 R HA 0.568 4.908 4.340 -0.000 0.000 0.277 2794 R C -1.139 174.984 176.300 -0.295 0.000 0.987 2794 R CA -0.931 55.032 56.100 -0.230 0.000 0.901 2794 R CB 2.040 32.120 30.300 -0.368 0.000 1.207 2794 R HN 0.120 nan 8.270 nan 0.000 0.463 2795 V N 2.805 122.460 119.914 -0.432 0.000 2.513 2795 V HA 0.548 4.668 4.120 -0.000 0.000 0.299 2795 V C -0.948 174.762 176.094 -0.640 0.000 1.035 2795 V CA -0.537 61.552 62.300 -0.351 0.000 0.889 2795 V CB 1.320 33.041 31.823 -0.169 0.000 0.988 2795 V HN 0.506 nan 8.190 nan 0.000 0.440 2796 F N 2.063 121.670 119.950 -0.572 0.000 2.546 2796 F HA 0.786 5.313 4.527 -0.000 0.000 0.320 2796 F C 0.485 175.950 175.800 -0.559 0.000 1.076 2796 F CA -0.645 56.967 58.000 -0.646 0.000 0.928 2796 F CB 1.883 40.203 39.000 -1.133 0.000 1.189 2796 F HN 0.549 nan 8.300 nan 0.000 0.465 2797 A N 1.289 124.091 122.820 -0.031 0.000 2.310 2797 A HA 0.776 5.096 4.320 -0.000 0.000 0.299 2797 A C -0.033 177.530 177.584 -0.034 0.000 1.147 2797 A CA -0.207 51.764 52.037 -0.111 0.000 0.818 2797 A CB 0.431 19.335 19.000 -0.160 0.000 1.096 2797 A HN 0.937 nan 8.150 nan 0.000 0.495 2798 G N 0.359 109.083 108.800 -0.127 0.000 2.566 2798 G HA2 0.623 4.583 3.960 -0.000 0.000 0.311 2798 G HA3 0.623 4.583 3.960 -0.000 0.000 0.311 2798 G C -1.243 173.505 174.900 -0.253 0.000 1.322 2798 G CA -0.368 44.761 45.100 0.048 0.000 0.969 2798 G HN 0.410 nan 8.290 nan 0.000 0.490 2799 F N 0.865 120.849 119.950 0.057 0.000 2.520 2799 F HA 0.490 5.017 4.527 -0.000 0.000 0.322 2799 F C 0.237 176.099 175.800 0.103 0.000 1.103 2799 F CA -0.849 57.211 58.000 0.101 0.000 0.926 2799 F CB 2.431 41.524 39.000 0.154 0.000 1.154 2799 F HN 0.074 nan 8.300 nan 0.000 0.453 2800 L N 4.902 126.283 121.223 0.263 0.000 2.257 2800 L HA 0.483 4.823 4.340 -0.000 0.000 0.290 2800 L C -0.825 176.196 176.870 0.253 0.000 1.044 2800 L CA -0.409 54.556 54.840 0.208 0.000 0.810 2800 L CB 0.831 42.967 42.059 0.128 0.000 1.193 2800 L HN 0.512 nan 8.230 nan 0.000 0.425 2801 L N 5.138 126.544 121.223 0.305 0.000 2.334 2801 L HA 0.691 5.031 4.340 -0.000 0.000 0.273 2801 L C -0.267 176.684 176.870 0.136 0.000 1.013 2801 L CA -0.736 54.286 54.840 0.303 0.000 0.816 2801 L CB 1.928 44.272 42.059 0.475 0.000 1.278 2801 L HN 0.642 nan 8.230 nan 0.000 0.431 2802 R N -0.492 119.842 120.500 -0.277 0.000 2.734 2802 R HA 0.544 4.884 4.340 -0.000 0.000 0.271 2802 R C -1.150 174.301 176.300 -1.415 0.000 1.021 2802 R CA -0.971 54.593 56.100 -0.893 0.000 0.893 2802 R CB 0.724 30.761 30.300 -0.439 0.000 1.244 2802 R HN 0.396 nan 8.270 nan 0.000 0.464 2803 T N 1.681 115.065 114.554 -1.950 0.000 2.923 2803 T HA 0.103 4.453 4.350 -0.000 0.000 0.304 2803 T C 1.138 175.454 174.700 -0.640 0.000 1.044 2803 T CA 0.213 61.471 62.100 -1.403 0.000 1.141 2803 T CB 0.006 68.276 68.868 -0.996 0.000 1.023 2803 T HN 0.656 nan 8.240 nan 0.000 0.533 2804 I N -1.172 119.113 120.570 -0.475 0.000 4.225 2804 I HA 0.501 4.671 4.170 -0.000 0.000 0.327 2804 I C 1.271 177.148 176.117 -0.400 0.000 1.422 2804 I CA -0.520 60.465 61.300 -0.525 0.000 1.150 2804 I CB -0.110 37.412 38.000 -0.796 0.000 1.192 2804 I HN 0.829 nan 8.210 nan 0.000 0.440 2805 G N 2.378 111.029 108.800 -0.249 0.000 2.203 2805 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.263 2805 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.263 2805 G C -0.082 174.711 174.900 -0.178 0.000 1.012 2805 G CA 0.903 45.904 45.100 -0.166 0.000 0.749 2805 G HN 0.897 nan 8.290 nan 0.000 0.512 2806 Q N -2.400 117.284 119.800 -0.192 0.000 2.874 2806 Q HA 0.596 4.936 4.340 -0.000 0.000 0.303 2806 Q C -1.015 174.892 176.000 -0.155 0.000 0.876 2806 Q CA -0.724 54.971 55.803 -0.181 0.000 0.765 2806 Q CB 0.172 28.806 28.738 -0.173 0.000 1.478 2806 Q HN 0.302 nan 8.270 nan 0.000 0.434 2807 S N -0.181 115.438 115.700 -0.136 0.000 2.554 2807 S HA 0.859 5.329 4.470 -0.000 0.000 0.278 2807 S C -0.840 173.708 174.600 -0.087 0.000 1.242 2807 S CA 0.103 58.239 58.200 -0.107 0.000 1.051 2807 S CB 1.191 64.332 63.200 -0.097 0.000 0.986 2807 S HN 0.691 nan 8.310 nan 0.000 0.502 2808 A N 2.538 125.315 122.820 -0.071 0.000 2.572 2808 A HA 0.682 5.002 4.320 -0.000 0.000 0.295 2808 A C -1.833 175.722 177.584 -0.047 0.000 1.072 2808 A CA -0.905 51.099 52.037 -0.055 0.000 0.691 2808 A CB 1.177 20.134 19.000 -0.072 0.000 1.291 2808 A HN 0.617 nan 8.150 nan 0.000 0.404 2809 D N 0.787 121.168 120.400 -0.030 0.000 2.217 2809 D HA 0.533 5.173 4.640 -0.000 0.000 0.243 2809 D C -0.732 175.497 176.300 -0.119 0.000 1.054 2809 D CA -0.001 53.980 54.000 -0.032 0.000 0.838 2809 D CB 1.948 42.795 40.800 0.078 0.000 1.162 2809 D HN 0.209 nan 8.370 nan 0.000 0.472 2810 V N 3.425 123.157 119.914 -0.303 0.000 2.417 2810 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 2810 V C 0.038 175.917 176.094 -0.357 0.000 1.024 2810 V CA -0.829 61.201 62.300 -0.451 0.000 0.861 2810 V CB 1.509 32.700 31.823 -1.054 0.000 0.985 2810 V HN 0.413 nan 8.190 nan 0.000 0.436 2811 N N 4.115 122.724 118.700 -0.151 0.000 2.272 2811 N HA 0.753 5.493 4.740 -0.000 0.000 0.305 2811 N C -1.248 174.241 175.510 -0.034 0.000 1.103 2811 N CA -0.306 52.683 53.050 -0.102 0.000 0.791 2811 N CB 3.086 41.607 38.487 0.057 0.000 1.356 2811 N HN 0.645 nan 8.380 nan 0.000 0.486 2812 F N -1.270 118.550 119.950 -0.217 0.000 2.654 2812 F HA 0.564 5.091 4.527 -0.000 0.000 0.308 2812 F C -1.464 174.203 175.800 -0.221 0.000 1.108 2812 F CA -0.998 56.919 58.000 -0.138 0.000 0.957 2812 F CB 1.430 40.420 39.000 -0.017 0.000 1.309 2812 F HN 0.108 nan 8.300 nan 0.000 0.446 2813 D N 1.422 121.890 120.400 0.114 0.000 2.350 2813 D HA 0.565 5.205 4.640 -0.000 0.000 0.238 2813 D C -0.981 175.411 176.300 0.153 0.000 0.989 2813 D CA -0.441 53.580 54.000 0.036 0.000 0.921 2813 D CB 2.963 43.798 40.800 0.060 0.000 1.297 2813 D HN 0.451 nan 8.370 nan 0.000 0.490 2814 V N 0.979 120.943 119.914 0.083 0.000 2.427 2814 V HA 0.376 4.496 4.120 -0.000 0.000 0.286 2814 V C -0.104 176.027 176.094 0.062 0.000 1.034 2814 V CA -0.482 61.869 62.300 0.084 0.000 0.893 2814 V CB 1.308 33.113 31.823 -0.030 0.000 0.982 2814 V HN 0.668 nan 8.190 nan 0.000 0.452 2815 c N 3.326 121.994 118.600 0.113 0.000 2.441 2815 c HA 0.627 5.197 4.570 -0.000 0.000 0.318 2815 c C 0.757 174.925 174.090 0.129 0.000 1.222 2815 c CA -0.878 55.510 56.329 0.097 0.000 1.474 2815 c CB 1.391 43.957 42.510 0.093 0.000 2.125 2815 c HN 0.981 nan 8.230 nan 0.000 0.479 2816 T N 0.778 115.384 114.554 0.087 0.000 2.856 2816 T HA 0.156 4.506 4.350 -0.000 0.000 0.306 2816 T C 1.174 175.928 174.700 0.089 0.000 1.062 2816 T CA -0.326 61.833 62.100 0.097 0.000 1.083 2816 T CB 0.767 69.668 68.868 0.055 0.000 0.984 2816 T HN 0.659 nan 8.240 nan 0.000 0.542 2817 K N 1.210 121.659 120.400 0.082 0.000 2.103 2817 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 2817 K C 1.848 178.472 176.600 0.040 0.000 1.048 2817 K CA 1.726 58.045 56.287 0.055 0.000 0.930 2817 K CB -0.480 32.044 32.500 0.040 0.000 0.716 2817 K HN 0.860 nan 8.250 nan 0.000 0.444 2818 D N -0.298 120.124 120.400 0.036 0.000 2.378 2818 D HA -0.090 4.550 4.640 -0.000 0.000 0.222 2818 D C 1.128 177.445 176.300 0.028 0.000 0.980 2818 D CA 1.187 55.203 54.000 0.028 0.000 0.907 2818 D CB -0.121 40.693 40.800 0.023 0.000 0.899 2818 D HN 0.338 nan 8.370 nan 0.000 0.527 2819 G N 0.546 109.368 108.800 0.036 0.000 2.148 2819 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.203 2819 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.203 2819 G C -0.173 174.748 174.900 0.035 0.000 0.993 2819 G CA 0.052 45.173 45.100 0.035 0.000 0.661 2819 G HN 0.536 nan 8.290 nan 0.000 0.518 2820 E N 0.244 120.466 120.200 0.036 0.000 2.229 2820 E HA 0.532 4.881 4.350 -0.000 0.000 0.283 2820 E C 0.129 176.752 176.600 0.039 0.000 1.030 2820 E CA -0.319 56.102 56.400 0.035 0.000 0.836 2820 E CB 0.507 30.227 29.700 0.033 0.000 1.068 2820 E HN 0.326 nan 8.360 nan 0.000 0.401 2821 c N 2.518 121.140 118.600 0.036 0.000 2.848 2821 c HA 0.743 5.313 4.570 -0.000 0.000 0.317 2821 c C -0.017 174.088 174.090 0.024 0.000 1.260 2821 c CA -0.647 55.704 56.329 0.036 0.000 1.656 2821 c CB 1.719 44.255 42.510 0.044 0.000 2.174 2821 c HN 0.778 nan 8.230 nan 0.000 0.479 2822 T N -0.099 114.465 114.554 0.015 0.000 2.894 2822 T HA 0.506 4.856 4.350 -0.000 0.000 0.309 2822 T C -1.166 173.545 174.700 0.018 0.000 1.208 2822 T CA -0.264 61.831 62.100 -0.007 0.000 1.016 2822 T CB 0.782 69.612 68.868 -0.062 0.000 1.192 2822 T HN 0.492 nan 8.240 nan 0.000 0.491 2823 F N 3.266 123.138 119.950 -0.130 0.000 2.608 2823 F HA 0.459 4.986 4.527 -0.000 0.000 0.380 2823 F C 1.165 176.860 175.800 -0.175 0.000 1.083 2823 F CA 0.972 58.877 58.000 -0.159 0.000 1.266 2823 F CB 0.635 39.534 39.000 -0.167 0.000 1.076 2823 F HN 0.663 nan 8.300 nan 0.000 0.574 2824 G N 3.031 111.248 108.800 -0.973 0.000 2.599 2824 G HA2 0.471 4.431 3.960 -0.000 0.000 0.210 2824 G HA3 0.471 4.431 3.960 -0.000 0.000 0.210 2824 G C 0.354 174.426 174.900 -1.380 0.000 1.177 2824 G CA 0.466 45.049 45.100 -0.861 0.000 0.835 2824 G HN 1.170 nan 8.290 nan 0.000 0.575 2825 G N -1.982 105.327 108.800 -2.486 0.000 2.342 2825 G HA2 0.506 4.466 3.960 -0.000 0.000 0.297 2825 G HA3 0.506 4.466 3.960 -0.000 0.000 0.297 2825 G C -1.554 172.696 174.900 -1.082 0.000 1.313 2825 G CA 0.121 44.246 45.100 -1.624 0.000 0.830 2825 G HN 0.618 nan 8.290 nan 0.000 0.506 2826 T N -0.356 114.162 114.554 -0.060 0.000 2.933 2826 T HA 0.732 5.082 4.350 -0.000 0.000 0.305 2826 T C -1.065 173.966 174.700 0.553 0.000 1.092 2826 T CA -0.525 61.684 62.100 0.183 0.000 1.008 2826 T CB 1.608 70.680 68.868 0.340 0.000 1.102 2826 T HN 1.495 nan 8.240 nan 0.000 0.469 2827 F N -1.097 118.992 119.950 0.232 0.000 2.631 2827 F HA 0.850 5.377 4.527 -0.000 0.000 0.308 2827 F C -1.223 174.553 175.800 -0.040 0.000 1.097 2827 F CA -1.451 56.618 58.000 0.117 0.000 0.952 2827 F CB 0.548 39.579 39.000 0.051 0.000 1.307 2827 F HN 0.681 nan 8.300 nan 0.000 0.450 2828 C N 2.213 121.564 119.300 0.085 0.000 2.614 2828 C HA 0.806 5.266 4.460 -0.000 0.000 0.320 2828 C C -0.257 174.710 174.990 -0.038 0.000 1.200 2828 C CA -0.916 58.075 59.018 -0.045 0.000 1.700 2828 C CB 1.546 29.170 27.740 -0.194 0.000 2.275 2828 C HN 0.780 nan 8.230 nan 0.000 0.492 2829 I N 2.299 122.844 120.570 -0.041 0.000 2.418 2829 I HA 0.360 4.530 4.170 -0.000 0.000 0.287 2829 I C -0.741 175.317 176.117 -0.098 0.000 1.008 2829 I CA -0.409 60.873 61.300 -0.031 0.000 1.104 2829 I CB 1.472 39.518 38.000 0.076 0.000 1.264 2829 I HN 0.440 nan 8.210 nan 0.000 0.438 2830 L N 6.978 128.095 121.223 -0.176 0.000 2.275 2830 L HA 0.900 5.240 4.340 -0.000 0.000 0.288 2830 L C 0.022 176.751 176.870 -0.234 0.000 1.046 2830 L CA 0.538 55.236 54.840 -0.236 0.000 0.805 2830 L CB 0.999 42.840 42.059 -0.364 0.000 1.193 2830 L HN 0.702 nan 8.230 nan 0.000 0.426 2831 G N 2.188 110.873 108.800 -0.192 0.000 2.606 2831 G HA2 0.736 4.696 3.960 -0.000 0.000 0.300 2831 G HA3 0.736 4.696 3.960 -0.000 0.000 0.300 2831 G C -1.086 173.685 174.900 -0.214 0.000 1.360 2831 G CA -0.226 44.771 45.100 -0.172 0.000 0.783 2831 G HN 1.006 nan 8.290 nan 0.000 0.484 2832 G N -1.362 107.310 108.800 -0.213 0.000 2.356 2832 G HA2 0.493 4.453 3.960 -0.000 0.000 0.294 2832 G HA3 0.493 4.453 3.960 -0.000 0.000 0.294 2832 G C -1.283 173.487 174.900 -0.217 0.000 1.423 2832 G CA -0.564 44.329 45.100 -0.345 0.000 0.806 2832 G HN 0.659 nan 8.290 nan 0.000 0.527 2833 E N -0.522 119.531 120.200 -0.246 0.000 2.442 2833 E HA 0.279 4.629 4.350 -0.000 0.000 0.262 2833 E C 0.426 176.964 176.600 -0.104 0.000 1.004 2833 E CA 0.638 56.893 56.400 -0.241 0.000 0.928 2833 E CB 0.052 29.556 29.700 -0.327 0.000 0.937 2833 E HN 0.716 nan 8.360 nan 0.000 0.446 2834 H N -0.481 118.679 119.070 0.150 0.000 3.428 2834 H HA -0.206 4.350 4.556 -0.000 0.000 0.204 2834 H C -0.289 175.136 175.328 0.163 0.000 1.078 2834 H CA 0.848 56.993 56.048 0.161 0.000 1.183 2834 H CB -1.539 28.298 29.762 0.125 0.000 1.132 2834 H HN 0.665 nan 8.280 nan 0.000 0.323 2835 E N 2.446 122.754 120.200 0.179 0.000 2.390 2835 E HA 0.268 4.618 4.350 -0.000 0.000 0.261 2835 E C 0.805 177.520 176.600 0.192 0.000 1.076 2835 E CA -0.336 56.157 56.400 0.154 0.000 0.905 2835 E CB 0.903 30.659 29.700 0.093 0.000 0.984 2835 E HN 0.430 nan 8.360 nan 0.000 0.427 2836 M N 1.198 120.911 119.600 0.188 0.000 2.240 2836 M HA 0.275 4.755 4.480 -0.000 0.000 0.333 2836 M C -0.204 176.215 176.300 0.198 0.000 1.110 2836 M CA -0.748 54.646 55.300 0.156 0.000 1.173 2836 M CB 0.275 32.892 32.600 0.028 0.000 1.458 2836 M HN 0.573 nan 8.290 nan 0.000 0.458 2837 F N 4.276 124.260 119.950 0.055 0.000 2.572 2837 F HA 0.319 4.846 4.527 -0.000 0.000 0.370 2837 F C -0.722 175.131 175.800 0.088 0.000 1.103 2837 F CA 0.183 58.175 58.000 -0.014 0.000 1.286 2837 F CB 0.467 39.426 39.000 -0.067 0.000 1.105 2837 F HN 0.710 nan 8.300 nan 0.000 0.583 2838 W N 4.971 125.528 121.300 -1.239 0.000 3.296 2838 W HA 0.761 5.421 4.660 -0.000 0.000 0.314 2838 W C -2.298 173.604 176.519 -1.029 0.000 1.238 2838 W CA -1.471 55.310 57.345 -0.940 0.000 1.193 2838 W CB 0.993 30.120 29.460 -0.555 0.000 1.383 2838 W HN 0.863 nan 8.180 nan 0.000 0.545 2839 A N 3.034 125.638 122.820 -0.360 0.000 2.491 2839 A HA 0.655 4.975 4.320 -0.000 0.000 0.293 2839 A C -1.874 175.738 177.584 0.047 0.000 1.047 2839 A CA -0.637 51.275 52.037 -0.207 0.000 0.735 2839 A CB 0.850 19.762 19.000 -0.146 0.000 1.281 2839 A HN 0.441 nan 8.150 nan 0.000 0.398 2840 F N 1.796 121.860 119.950 0.190 0.000 2.459 2840 F HA 0.236 4.762 4.527 -0.000 0.000 0.346 2840 F C 1.557 177.399 175.800 0.070 0.000 1.128 2840 F CA 0.563 58.630 58.000 0.111 0.000 1.268 2840 F CB 0.997 40.050 39.000 0.089 0.000 1.161 2840 F HN 0.711 nan 8.300 nan 0.000 0.583 2841 D N 1.099 121.665 120.400 0.277 0.000 2.342 2841 D HA 0.066 4.706 4.640 -0.000 0.000 0.221 2841 D C 0.123 176.479 176.300 0.093 0.000 1.101 2841 D CA -0.099 53.993 54.000 0.153 0.000 0.837 2841 D CB 0.001 40.876 40.800 0.126 0.000 0.938 2841 D HN 0.666 nan 8.370 nan 0.000 0.508 2842 R N -1.339 119.213 120.500 0.087 0.000 2.762 2842 R HA 0.481 4.821 4.340 -0.000 0.000 0.271 2842 R C -1.124 175.164 176.300 -0.019 0.000 1.038 2842 R CA -0.996 55.101 56.100 -0.004 0.000 0.906 2842 R CB 0.463 30.733 30.300 -0.052 0.000 1.259 2842 R HN -0.096 nan 8.270 nan 0.000 0.457 2843 L N 1.304 122.485 121.223 -0.069 0.000 2.395 2843 L HA 0.389 4.729 4.340 -0.000 0.000 0.269 2843 L C -0.279 176.556 176.870 -0.058 0.000 1.133 2843 L CA -0.745 54.072 54.840 -0.038 0.000 0.812 2843 L CB 0.546 42.561 42.059 -0.074 0.000 1.125 2843 L HN 0.464 nan 8.230 nan 0.000 0.452 2844 F N 3.487 123.368 119.950 -0.114 0.000 2.404 2844 F HA 0.338 4.865 4.527 -0.000 0.000 0.358 2844 F C -0.130 175.675 175.800 0.009 0.000 1.120 2844 F CA -0.841 57.043 58.000 -0.194 0.000 1.144 2844 F CB 0.400 39.205 39.000 -0.324 0.000 1.133 2844 F HN 0.283 nan 8.300 nan 0.000 0.495 2845 K N 6.181 126.137 120.400 -0.740 0.000 2.172 2845 K HA 0.281 4.601 4.320 -0.000 0.000 0.276 2845 K C -1.715 174.534 176.600 -0.584 0.000 1.013 2845 K CA -0.605 55.397 56.287 -0.475 0.000 0.913 2845 K CB 1.346 33.606 32.500 -0.399 0.000 1.055 2845 K HN 0.643 nan 8.250 nan 0.000 0.461 2846 Y N 1.767 121.977 120.300 -0.151 0.000 2.346 2846 Y HA 0.097 4.647 4.550 -0.000 0.000 0.332 2846 Y C -0.885 175.144 175.900 0.215 0.000 0.985 2846 Y CA -1.471 56.657 58.100 0.046 0.000 1.112 2846 Y CB 1.317 39.936 38.460 0.264 0.000 1.170 2846 Y HN 0.606 nan 8.280 nan 0.000 0.447 2847 D N 6.034 126.549 120.400 0.191 0.000 2.358 2847 D HA 0.100 4.740 4.640 -0.000 0.000 0.258 2847 D C 0.585 176.890 176.300 0.009 0.000 1.223 2847 D CA 0.253 54.132 54.000 -0.202 0.000 0.886 2847 D CB 0.474 41.100 40.800 -0.290 0.000 1.120 2847 D HN 0.659 nan 8.370 nan 0.000 0.482 2848 I N 0.523 121.028 120.570 -0.108 0.000 3.936 2848 I HA 0.142 4.312 4.170 -0.000 0.000 0.330 2848 I C 1.125 177.173 176.117 -0.115 0.000 1.509 2848 I CA -0.566 60.727 61.300 -0.012 0.000 1.126 2848 I CB 0.253 38.289 38.000 0.059 0.000 1.115 2848 I HN 0.044 nan 8.210 nan 0.000 0.424 2849 T N 1.243 115.683 114.554 -0.190 0.000 2.653 2849 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 2849 T C 1.813 176.459 174.700 -0.090 0.000 1.035 2849 T CA 2.704 64.706 62.100 -0.164 0.000 1.154 2849 T CB -0.413 68.346 68.868 -0.183 0.000 0.862 2849 T HN 0.489 nan 8.240 nan 0.000 0.441 2850 T N 1.642 116.169 114.554 -0.045 0.000 2.746 2850 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 2850 T C 2.436 177.157 174.700 0.034 0.000 1.039 2850 T CA 1.453 63.560 62.100 0.012 0.000 1.142 2850 T CB -0.377 68.519 68.868 0.047 0.000 0.866 2850 T HN 0.347 nan 8.240 nan 0.000 0.444 2851 S N 1.202 116.901 115.700 -0.002 0.000 2.368 2851 S HA 0.051 4.521 4.470 -0.000 0.000 0.225 2851 S C 2.032 176.600 174.600 -0.054 0.000 1.030 2851 S CA 0.767 58.959 58.200 -0.014 0.000 0.999 2851 S CB -0.408 62.762 63.200 -0.051 0.000 0.844 2851 S HN 0.353 nan 8.310 nan 0.000 0.459 2852 L N 1.333 122.470 121.223 -0.143 0.000 1.994 2852 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 2852 L C 2.504 179.305 176.870 -0.115 0.000 1.071 2852 L CA 1.168 55.873 54.840 -0.225 0.000 0.745 2852 L CB -0.656 41.236 42.059 -0.278 0.000 0.892 2852 L HN 0.229 nan 8.230 nan 0.000 0.431 2853 K N -0.806 119.554 120.400 -0.068 0.000 2.113 2853 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 2853 K C 2.034 178.606 176.600 -0.046 0.000 1.047 2853 K CA 1.292 57.550 56.287 -0.049 0.000 0.928 2853 K CB -0.663 31.819 32.500 -0.030 0.000 0.716 2853 K HN 0.433 nan 8.250 nan 0.000 0.446 2854 H N 0.575 119.610 119.070 -0.057 0.000 2.357 2854 H HA 0.049 4.604 4.556 -0.000 0.000 0.301 2854 H C 1.770 177.072 175.328 -0.043 0.000 1.082 2854 H CA 1.079 57.103 56.048 -0.039 0.000 1.342 2854 H CB 0.158 29.905 29.762 -0.025 0.000 1.389 2854 H HN 0.064 nan 8.280 nan 0.000 0.511 2855 L N 0.178 121.439 121.223 0.064 0.000 2.599 2855 L HA 0.050 4.390 4.340 -0.000 0.000 0.230 2855 L C 0.954 177.806 176.870 -0.030 0.000 1.141 2855 L CA 0.177 55.028 54.840 0.018 0.000 0.877 2855 L CB 0.081 42.126 42.059 -0.023 0.000 1.009 2855 L HN 0.153 nan 8.230 nan 0.000 0.447 2856 R N -0.083 120.385 120.500 -0.053 0.000 3.641 2856 R HA -0.172 4.168 4.340 -0.000 0.000 0.286 2856 R C -0.300 175.962 176.300 -0.063 0.000 1.153 2856 R CA 0.272 56.336 56.100 -0.060 0.000 0.775 2856 R CB -1.719 28.550 30.300 -0.051 0.000 1.215 2856 R HN 0.276 nan 8.270 nan 0.000 0.474 2857 L N -0.255 120.913 121.223 -0.092 0.000 2.418 2857 L HA 0.276 4.616 4.340 -0.000 0.000 0.265 2857 L C 0.835 177.645 176.870 -0.100 0.000 1.143 2857 L CA -0.080 54.697 54.840 -0.106 0.000 0.809 2857 L CB 0.577 42.514 42.059 -0.204 0.000 1.124 2857 L HN 0.070 nan 8.230 nan 0.000 0.456 2858 D N 0.113 120.457 120.400 -0.093 0.000 2.228 2858 D HA 0.311 4.950 4.640 -0.000 0.000 0.247 2858 D C 0.509 176.800 176.300 -0.015 0.000 0.995 2858 D CA -0.149 53.789 54.000 -0.104 0.000 0.903 2858 D CB 2.277 42.912 40.800 -0.276 0.000 1.205 2858 D HN 0.572 nan 8.370 nan 0.000 0.459 2859 A N 2.382 125.262 122.820 0.101 0.000 1.958 2859 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 2859 A C 1.565 179.308 177.584 0.264 0.000 1.178 2859 A CA 1.696 53.861 52.037 0.215 0.000 0.642 2859 A CB -0.792 18.330 19.000 0.203 0.000 0.816 2859 A HN 0.734 nan 8.150 nan 0.000 0.453 2860 H N -1.405 117.737 119.070 0.120 0.000 2.539 2860 H HA 0.205 4.761 4.556 -0.000 0.000 0.267 2860 H C -0.711 174.664 175.328 0.078 0.000 0.982 2860 H CA 0.048 56.143 56.048 0.078 0.000 1.146 2860 H CB -0.632 29.157 29.762 0.046 0.000 1.382 2860 H HN 0.268 nan 8.280 nan 0.000 0.577 2861 D N 1.784 122.133 120.400 -0.086 0.000 2.360 2861 D HA 0.060 4.700 4.640 -0.000 0.000 0.242 2861 D C -0.203 176.130 176.300 0.056 0.000 1.184 2861 D CA 0.034 54.030 54.000 -0.007 0.000 0.930 2861 D CB 0.929 41.758 40.800 0.048 0.000 1.161 2861 D HN 0.268 nan 8.370 nan 0.000 0.447 2862 D N -0.055 120.355 120.400 0.016 0.000 2.232 2862 D HA 0.396 5.036 4.640 -0.000 0.000 0.242 2862 D C -1.050 175.260 176.300 0.016 0.000 1.093 2862 D CA -0.349 53.593 54.000 -0.095 0.000 0.845 2862 D CB 0.085 40.849 40.800 -0.061 0.000 1.124 2862 D HN 0.238 nan 8.370 nan 0.000 0.467 2863 F N 0.393 120.334 119.950 -0.015 0.000 2.686 2863 F HA 0.551 5.078 4.527 -0.000 0.000 0.311 2863 F C -0.975 174.821 175.800 -0.007 0.000 1.128 2863 F CA -1.096 56.898 58.000 -0.009 0.000 0.946 2863 F CB 1.060 40.054 39.000 -0.010 0.000 1.336 2863 F HN -0.003 nan 8.300 nan 0.000 0.457 2864 D N 1.462 122.003 120.400 0.234 0.000 2.340 2864 D HA 0.531 5.171 4.640 -0.000 0.000 0.243 2864 D C -0.672 175.757 176.300 0.215 0.000 0.988 2864 D CA -0.164 53.917 54.000 0.135 0.000 0.959 2864 D CB 2.730 43.581 40.800 0.085 0.000 1.226 2864 D HN 0.392 nan 8.370 nan 0.000 0.509 2865 I N 1.332 121.981 120.570 0.131 0.000 2.410 2865 I HA 0.189 4.359 4.170 -0.000 0.000 0.286 2865 I C -0.178 176.011 176.117 0.120 0.000 1.009 2865 I CA -0.649 60.734 61.300 0.138 0.000 1.111 2865 I CB 1.535 39.552 38.000 0.027 0.000 1.262 2865 I HN -0.002 nan 8.210 nan 0.000 0.443 2866 K N 4.925 125.420 120.400 0.158 0.000 2.240 2866 K HA 0.538 4.858 4.320 -0.000 0.000 0.271 2866 K C -0.782 175.929 176.600 0.185 0.000 1.018 2866 K CA -0.295 56.073 56.287 0.135 0.000 0.874 2866 K CB 1.573 34.136 32.500 0.105 0.000 1.098 2866 K HN 0.312 nan 8.250 nan 0.000 0.458 2867 V N 2.820 122.831 119.914 0.162 0.000 2.483 2867 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 2867 V C -0.360 175.803 176.094 0.115 0.000 1.035 2867 V CA -0.719 61.691 62.300 0.183 0.000 0.896 2867 V CB 2.004 33.952 31.823 0.209 0.000 0.986 2867 V HN 0.751 nan 8.190 nan 0.000 0.447 2868 T N 5.649 120.256 114.554 0.089 0.000 2.890 2868 T HA 0.605 4.955 4.350 -0.000 0.000 0.295 2868 T C -0.447 174.269 174.700 0.027 0.000 0.993 2868 T CA -0.157 61.976 62.100 0.055 0.000 0.979 2868 T CB 0.875 69.771 68.868 0.047 0.000 0.967 2868 T HN 0.390 nan 8.240 nan 0.000 0.441 2869 I N 3.260 123.855 120.570 0.042 0.000 2.359 2869 I HA 0.478 4.647 4.170 -0.000 0.000 0.294 2869 I C 0.215 176.357 176.117 0.041 0.000 0.987 2869 I CA -0.689 60.629 61.300 0.029 0.000 1.225 2869 I CB 1.304 39.354 38.000 0.083 0.000 1.366 2869 I HN 0.265 nan 8.210 nan 0.000 0.466 2870 K N 3.736 124.148 120.400 0.021 0.000 2.378 2870 K HA 0.512 4.832 4.320 -0.000 0.000 0.252 2870 K C -0.035 176.582 176.600 0.029 0.000 0.931 2870 K CA -0.641 55.669 56.287 0.039 0.000 0.794 2870 K CB 2.424 34.945 32.500 0.035 0.000 1.181 2870 K HN 0.782 nan 8.250 nan 0.000 0.425 2871 G N 1.407 110.233 108.800 0.043 0.000 2.667 2871 G HA2 0.102 4.061 3.960 -0.000 0.000 0.250 2871 G HA3 0.102 4.061 3.960 -0.000 0.000 0.250 2871 G C 1.096 175.997 174.900 0.001 0.000 1.212 2871 G CA -0.440 44.665 45.100 0.008 0.000 0.874 2871 G HN 0.777 nan 8.290 nan 0.000 0.561 2872 I N -1.825 118.733 120.570 -0.020 0.000 2.756 2872 I HA -0.019 4.151 4.170 -0.000 0.000 0.262 2872 I C 1.652 177.758 176.117 -0.017 0.000 1.225 2872 I CA 1.452 62.748 61.300 -0.006 0.000 1.472 2872 I CB -0.260 37.735 38.000 -0.009 0.000 1.094 2872 I HN 0.405 nan 8.210 nan 0.000 0.454 2873 D N 1.518 121.884 120.400 -0.057 0.000 2.234 2873 D HA 0.052 4.692 4.640 -0.000 0.000 0.205 2873 D C 1.787 178.068 176.300 -0.032 0.000 0.962 2873 D CA 1.279 55.222 54.000 -0.095 0.000 0.855 2873 D CB -0.191 40.470 40.800 -0.232 0.000 0.951 2873 D HN 0.503 nan 8.370 nan 0.000 0.500 2874 G N -0.905 107.916 108.800 0.034 0.000 2.273 2874 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.162 2874 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.162 2874 G C -0.468 174.592 174.900 0.266 0.000 1.006 2874 G CA -0.462 44.713 45.100 0.126 0.000 0.704 2874 G HN 0.401 nan 8.290 nan 0.000 0.487 2875 H N 0.641 119.714 119.070 0.005 0.000 2.646 2875 H HA 0.521 5.077 4.556 -0.000 0.000 0.325 2875 H C 0.689 176.028 175.328 0.019 0.000 1.075 2875 H CA -0.495 55.560 56.048 0.011 0.000 1.421 2875 H CB 1.330 31.101 29.762 0.014 0.000 1.461 2875 H HN 0.107 nan 8.280 nan 0.000 0.525 2876 V N 5.580 125.549 119.914 0.092 0.000 2.585 2876 V HA -0.008 4.112 4.120 -0.000 0.000 0.296 2876 V C 0.754 176.903 176.094 0.092 0.000 1.035 2876 V CA 0.013 62.353 62.300 0.067 0.000 1.084 2876 V CB -0.111 31.728 31.823 0.026 0.000 0.953 2876 V HN 0.492 nan 8.190 nan 0.000 0.483 2877 L N 3.770 125.063 121.223 0.116 0.000 2.360 2877 L HA 0.434 4.774 4.340 -0.000 0.000 0.271 2877 L C 0.765 177.717 176.870 0.136 0.000 1.057 2877 L CA -0.264 54.683 54.840 0.178 0.000 0.803 2877 L CB 1.654 43.872 42.059 0.265 0.000 1.207 2877 L HN 0.696 nan 8.230 nan 0.000 0.445 2878 S N 0.972 116.709 115.700 0.062 0.000 2.552 2878 S HA -0.036 4.434 4.470 -0.000 0.000 0.289 2878 S C 1.021 175.613 174.600 -0.013 0.000 1.304 2878 S CA -0.381 57.786 58.200 -0.054 0.000 1.063 2878 S CB 0.216 63.281 63.200 -0.226 0.000 0.848 2878 S HN 0.621 nan 8.310 nan 0.000 0.499 2879 N N 3.439 122.140 118.700 0.001 0.000 2.571 2879 N HA 0.031 4.771 4.740 -0.000 0.000 0.189 2879 N C 1.228 176.750 175.510 0.020 0.000 1.154 2879 N CA 0.367 53.442 53.050 0.042 0.000 0.907 2879 N CB -0.004 38.510 38.487 0.044 0.000 0.977 2879 N HN 0.619 nan 8.380 nan 0.000 0.449 2880 K N -0.596 119.761 120.400 -0.072 0.000 2.217 2880 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 2880 K C 1.018 177.584 176.600 -0.057 0.000 1.051 2880 K CA 0.633 56.855 56.287 -0.108 0.000 0.952 2880 K CB 0.026 32.385 32.500 -0.235 0.000 0.736 2880 K HN 0.181 nan 8.250 nan 0.000 0.453 2881 Y N 0.593 120.901 120.300 0.014 0.000 2.333 2881 Y HA -0.051 4.499 4.550 -0.000 0.000 0.290 2881 Y C 1.027 176.942 175.900 0.026 0.000 1.144 2881 Y CA 0.729 58.832 58.100 0.004 0.000 1.228 2881 Y CB 0.092 38.551 38.460 -0.002 0.000 0.985 2881 Y HN -0.056 nan 8.280 nan 0.000 0.542 2882 L N -0.264 121.089 121.223 0.218 0.000 2.362 2882 L HA 0.337 4.677 4.340 -0.000 0.000 0.275 2882 L C 0.064 177.028 176.870 0.156 0.000 0.998 2882 L CA -0.524 54.439 54.840 0.206 0.000 0.820 2882 L CB 1.433 43.652 42.059 0.266 0.000 1.270 2882 L HN -0.184 nan 8.230 nan 0.000 0.415 2883 S N 3.835 119.618 115.700 0.138 0.000 2.593 2883 S HA 0.261 4.731 4.470 -0.000 0.000 0.269 2883 S C -2.298 172.352 174.600 0.083 0.000 1.334 2883 S CA -0.762 57.490 58.200 0.086 0.000 1.015 2883 S CB 0.708 63.947 63.200 0.066 0.000 0.912 2883 S HN 0.400 nan 8.310 nan 0.000 0.541 2884 P HA 0.182 nan 4.420 nan 0.000 0.268 2884 P C -2.185 175.059 177.300 -0.093 0.000 1.204 2884 P CA -0.877 62.216 63.100 -0.012 0.000 0.768 2884 P CB -0.147 31.539 31.700 -0.022 0.000 0.842 2885 P HA 0.096 nan 4.420 nan 0.000 0.272 2885 P C -0.579 176.554 177.300 -0.279 0.000 1.240 2885 P CA 0.077 62.879 63.100 -0.497 0.000 0.791 2885 P CB 0.580 31.659 31.700 -1.035 0.000 0.978 2886 T N 0.019 114.436 114.554 -0.228 0.000 2.952 2886 T HA 0.481 4.831 4.350 -0.000 0.000 0.286 2886 T C -0.303 174.398 174.700 0.001 0.000 1.024 2886 T CA -0.489 61.575 62.100 -0.059 0.000 1.029 2886 T CB 1.129 70.015 68.868 0.030 0.000 1.094 2886 T HN 0.164 nan 8.240 nan 0.000 0.515 2887 V N 3.021 122.983 119.914 0.080 0.000 2.577 2887 V HA 0.714 4.834 4.120 -0.000 0.000 0.303 2887 V C -1.123 175.095 176.094 0.208 0.000 1.042 2887 V CA -0.940 61.407 62.300 0.077 0.000 0.872 2887 V CB 0.984 32.831 31.823 0.041 0.000 0.998 2887 V HN 0.871 nan 8.190 nan 0.000 0.423 2888 F N 3.551 123.554 119.950 0.089 0.000 2.643 2888 F HA 0.911 5.438 4.527 -0.000 0.000 0.314 2888 F C -1.268 174.627 175.800 0.158 0.000 1.096 2888 F CA -1.566 56.491 58.000 0.095 0.000 0.953 2888 F CB 1.599 40.635 39.000 0.060 0.000 1.345 2888 F HN 0.392 nan 8.300 nan 0.000 0.468 2889 L N 2.305 123.691 121.223 0.272 0.000 2.334 2889 L HA 0.883 5.223 4.340 -0.000 0.000 0.275 2889 L C -0.636 176.411 176.870 0.295 0.000 1.036 2889 L CA -0.675 54.273 54.840 0.181 0.000 0.807 2889 L CB 1.604 43.747 42.059 0.140 0.000 1.231 2889 L HN 0.981 nan 8.230 nan 0.000 0.438 2890 A N 6.197 129.174 122.820 0.262 0.000 2.586 2890 A HA 0.658 4.978 4.320 -0.000 0.000 0.320 2890 A C -2.672 175.022 177.584 0.182 0.000 1.281 2890 A CA -1.308 50.910 52.037 0.301 0.000 0.775 2890 A CB -0.088 19.221 19.000 0.514 0.000 1.122 2890 A HN 0.526 nan 8.150 nan 0.000 0.470 2891 P HA 0.299 nan 4.420 nan 0.000 0.272 2891 P C 0.662 178.017 177.300 0.093 0.000 1.223 2891 P CA 0.205 63.361 63.100 0.094 0.000 0.784 2891 P CB 0.897 32.642 31.700 0.075 0.000 0.923 2892 A N 0.000 122.866 122.820 0.077 0.000 2.254 2892 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 2892 A CA 0.000 52.089 52.037 0.086 0.000 0.836 2892 A CB 0.000 19.035 19.000 0.059 0.000 0.831 2892 A HN 0.000 nan 8.150 nan 0.000 0.486