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 1dee_1_F DATA FIRST_RESID 2501 DATA SEQUENCE QVQLVESGGG VVQPGKSLRL ScAASGFTFS GYGMHWVRQA PGKGLEWVAL DATA SEQUENCE ISYDESNKYY ADSVKGRFTI SRDNSKNTLY LQMNSLRAED TAVYYcAKVK DATA SEQUENCE FYDPTAPNDY WGQGTLVTVS SGSASAPTLF PLVSCENSNP SSTVAVGcLA DATA SEQUENCE QDFLPDSITF SWKYKNNSDI SSTRGFPSVL RGGKYAATSQ VLLPSKDVAQ DATA SEQUENCE GTNEHVVcKV QHPNGNKEKD VPL 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 2501 Q HA 0.000 nan 4.340 nan 0.000 0.214 2501 Q C 0.000 175.971 176.000 -0.049 0.000 1.003 2501 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 2501 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 2502 V N 1.792 121.593 119.914 -0.188 0.000 2.485 2502 V HA 0.114 4.234 4.120 -0.000 0.000 0.287 2502 V C 0.237 176.271 176.094 -0.100 0.000 1.022 2502 V CA 0.500 62.652 62.300 -0.248 0.000 1.067 2502 V CB 0.576 31.818 31.823 -0.969 0.000 0.967 2502 V HN 0.578 nan 8.190 nan 0.000 0.479 2503 Q N 5.312 125.139 119.800 0.045 0.000 2.321 2503 Q HA 0.690 5.030 4.340 -0.000 0.000 0.270 2503 Q C -1.761 174.310 176.000 0.118 0.000 1.032 2503 Q CA -0.732 55.113 55.803 0.070 0.000 0.784 2503 Q CB 1.821 30.590 28.738 0.053 0.000 1.264 2503 Q HN 0.726 nan 8.270 nan 0.000 0.448 2504 L N 3.684 124.976 121.223 0.116 0.000 2.381 2504 L HA 0.633 4.973 4.340 -0.000 0.000 0.274 2504 L C -1.162 175.771 176.870 0.105 0.000 0.988 2504 L CA -0.920 53.991 54.840 0.120 0.000 0.824 2504 L CB 2.277 44.411 42.059 0.125 0.000 1.263 2504 L HN 0.418 nan 8.230 nan 0.000 0.410 2505 V N 2.384 122.343 119.914 0.076 0.000 2.409 2505 V HA 0.331 4.451 4.120 -0.000 0.000 0.290 2505 V C -0.335 175.816 176.094 0.095 0.000 1.017 2505 V CA -0.720 61.629 62.300 0.080 0.000 0.841 2505 V CB 1.663 33.516 31.823 0.050 0.000 1.003 2505 V HN 0.658 nan 8.190 nan 0.000 0.426 2506 E N 2.623 122.910 120.200 0.144 0.000 2.349 2506 E HA 0.768 5.118 4.350 -0.000 0.000 0.262 2506 E C -0.023 176.657 176.600 0.134 0.000 1.088 2506 E CA -0.127 56.398 56.400 0.209 0.000 0.899 2506 E CB 1.440 31.320 29.700 0.300 0.000 1.044 2506 E HN 0.871 nan 8.360 nan 0.000 0.420 2507 S N -0.757 115.018 115.700 0.126 0.000 2.587 2507 S HA 0.671 5.141 4.470 -0.000 0.000 0.269 2507 S C 0.443 175.063 174.600 0.033 0.000 1.154 2507 S CA -0.530 57.708 58.200 0.064 0.000 0.824 2507 S CB 1.429 64.660 63.200 0.053 0.000 1.118 2507 S HN 0.974 nan 8.310 nan 0.000 0.462 2508 G N -0.271 108.527 108.800 -0.003 0.000 2.201 2508 G HA2 0.081 4.041 3.960 -0.000 0.000 0.212 2508 G HA3 0.081 4.041 3.960 -0.000 0.000 0.212 2508 G C 0.629 175.480 174.900 -0.080 0.000 0.994 2508 G CA 0.070 45.144 45.100 -0.043 0.000 0.644 2508 G HN 1.631 nan 8.290 nan 0.000 0.508 2509 G N -0.030 108.732 108.800 -0.063 0.000 2.544 2509 G HA2 0.708 4.668 3.960 -0.000 0.000 0.242 2509 G HA3 0.708 4.668 3.960 -0.000 0.000 0.242 2509 G C 0.509 175.381 174.900 -0.047 0.000 1.247 2509 G CA 0.732 45.791 45.100 -0.068 0.000 0.840 2509 G HN 1.570 nan 8.290 nan 0.000 0.578 2510 G N -1.560 107.214 108.800 -0.042 0.000 2.428 2510 G HA2 0.486 4.446 3.960 -0.000 0.000 0.304 2510 G HA3 0.486 4.446 3.960 -0.000 0.000 0.304 2510 G C -1.579 173.315 174.900 -0.010 0.000 1.303 2510 G CA -0.445 44.639 45.100 -0.026 0.000 0.825 2510 G HN 0.948 nan 8.290 nan 0.000 0.484 2511 V N 0.089 120.004 119.914 0.001 0.000 2.439 2511 V HA 0.707 4.827 4.120 -0.000 0.000 0.282 2511 V C -0.015 176.082 176.094 0.006 0.000 1.039 2511 V CA -0.503 61.809 62.300 0.020 0.000 0.913 2511 V CB 0.905 32.751 31.823 0.038 0.000 0.983 2511 V HN 1.197 nan 8.190 nan 0.000 0.460 2512 V N 5.042 124.961 119.914 0.009 0.000 3.012 2512 V HA 0.503 4.623 4.120 -0.000 0.000 0.307 2512 V C -0.662 175.436 176.094 0.007 0.000 1.166 2512 V CA -0.497 61.801 62.300 -0.003 0.000 0.974 2512 V CB 2.430 34.237 31.823 -0.026 0.000 1.040 2512 V HN 0.965 nan 8.190 nan 0.000 0.428 2513 Q N 4.749 124.550 119.800 0.002 0.000 2.312 2513 Q HA 0.433 4.773 4.340 -0.000 0.000 0.236 2513 Q C -2.441 173.562 176.000 0.005 0.000 0.965 2513 Q CA -1.636 54.170 55.803 0.005 0.000 0.894 2513 Q CB 0.988 29.726 28.738 0.001 0.000 1.225 2513 Q HN 0.569 nan 8.270 nan 0.000 0.478 2514 P HA -0.080 nan 4.420 nan 0.000 0.268 2514 P C 0.454 177.757 177.300 0.005 0.000 1.208 2514 P CA 1.100 64.206 63.100 0.011 0.000 0.777 2514 P CB 0.392 32.097 31.700 0.009 0.000 0.875 2515 G N 0.376 109.180 108.800 0.008 0.000 2.304 2515 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 2515 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 2515 G C 0.469 175.365 174.900 -0.006 0.000 1.014 2515 G CA 0.448 45.549 45.100 0.002 0.000 0.619 2515 G HN 0.537 nan 8.290 nan 0.000 0.525 2516 K N 0.973 121.366 120.400 -0.010 0.000 2.136 2516 K HA 0.700 5.020 4.320 -0.000 0.000 0.237 2516 K C 0.523 177.100 176.600 -0.039 0.000 1.048 2516 K CA 0.374 56.646 56.287 -0.024 0.000 0.880 2516 K CB 0.613 33.097 32.500 -0.026 0.000 1.105 2516 K HN 0.249 nan 8.250 nan 0.000 0.507 2517 S N -0.128 115.536 115.700 -0.060 0.000 2.600 2517 S HA 0.737 5.207 4.470 -0.000 0.000 0.300 2517 S C -1.487 173.039 174.600 -0.125 0.000 1.087 2517 S CA -0.737 57.407 58.200 -0.094 0.000 0.965 2517 S CB 1.447 64.594 63.200 -0.089 0.000 1.089 2517 S HN 0.315 nan 8.310 nan 0.000 0.496 2518 L N 1.394 122.504 121.223 -0.188 0.000 2.540 2518 L HA 0.656 4.996 4.340 -0.000 0.000 0.256 2518 L C -1.203 175.504 176.870 -0.271 0.000 1.001 2518 L CA -0.375 54.338 54.840 -0.212 0.000 0.843 2518 L CB 2.099 44.016 42.059 -0.237 0.000 1.436 2518 L HN 0.739 nan 8.230 nan 0.000 0.410 2519 R N 2.998 123.361 120.500 -0.228 0.000 2.518 2519 R HA 0.670 5.010 4.340 -0.000 0.000 0.296 2519 R C -1.852 174.354 176.300 -0.158 0.000 1.080 2519 R CA -0.527 55.443 56.100 -0.217 0.000 0.922 2519 R CB 1.009 31.215 30.300 -0.157 0.000 1.184 2519 R HN 0.677 nan 8.270 nan 0.000 0.445 2520 L N 2.137 123.225 121.223 -0.224 0.000 2.379 2520 L HA 0.524 4.864 4.340 -0.000 0.000 0.269 2520 L C 0.011 176.979 176.870 0.163 0.000 1.084 2520 L CA -0.618 54.147 54.840 -0.125 0.000 0.802 2520 L CB 1.939 43.756 42.059 -0.405 0.000 1.175 2520 L HN 0.596 nan 8.230 nan 0.000 0.448 2521 S N 0.105 115.938 115.700 0.221 0.000 2.542 2521 S HA 0.470 4.940 4.470 -0.000 0.000 0.293 2521 S C -1.237 173.490 174.600 0.211 0.000 1.089 2521 S CA -0.568 57.756 58.200 0.206 0.000 0.961 2521 S CB 1.959 65.252 63.200 0.155 0.000 1.062 2521 S HN 0.699 nan 8.310 nan 0.000 0.483 2522 c N 3.359 121.998 118.600 0.066 0.000 2.547 2522 c HA 0.788 5.358 4.570 -0.000 0.000 0.327 2522 c C 0.093 174.108 174.090 -0.125 0.000 1.076 2522 c CA -0.537 55.804 56.329 0.020 0.000 1.390 2522 c CB -1.224 41.220 42.510 -0.110 0.000 1.918 2522 c HN 0.950 nan 8.230 nan 0.000 0.438 2523 A N 4.880 127.644 122.820 -0.093 0.000 2.302 2523 A HA 0.720 5.040 4.320 -0.000 0.000 0.295 2523 A C 0.502 178.016 177.584 -0.116 0.000 1.235 2523 A CA 0.288 52.230 52.037 -0.159 0.000 0.876 2523 A CB 0.275 19.217 19.000 -0.097 0.000 1.133 2523 A HN 1.723 nan 8.150 nan 0.000 0.533 2524 A N 2.801 125.488 122.820 -0.222 0.000 2.295 2524 A HA 0.851 5.171 4.320 -0.000 0.000 0.318 2524 A C 0.353 177.846 177.584 -0.151 0.000 1.134 2524 A CA 0.188 52.183 52.037 -0.070 0.000 0.827 2524 A CB 0.551 19.559 19.000 0.014 0.000 1.136 2524 A HN 2.079 nan 8.150 nan 0.000 0.493 2525 S N -0.788 114.894 115.700 -0.030 0.000 2.552 2525 S HA 0.645 5.115 4.470 -0.000 0.000 0.272 2525 S C 0.247 174.888 174.600 0.069 0.000 1.150 2525 S CA 0.130 58.296 58.200 -0.058 0.000 0.849 2525 S CB 0.937 64.118 63.200 -0.033 0.000 1.113 2525 S HN 2.635 nan 8.310 nan 0.000 0.458 2526 G N 0.292 109.110 108.800 0.029 0.000 2.175 2526 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.244 2526 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.244 2526 G C -0.222 174.793 174.900 0.192 0.000 0.982 2526 G CA 0.646 45.799 45.100 0.089 0.000 0.641 2526 G HN 2.095 nan 8.290 nan 0.000 0.527 2527 F N -2.048 117.895 119.950 -0.012 0.000 2.713 2527 F HA 0.707 5.234 4.527 -0.000 0.000 0.311 2527 F C -0.144 175.742 175.800 0.144 0.000 1.141 2527 F CA -0.903 57.121 58.000 0.040 0.000 0.939 2527 F CB 0.539 39.507 39.000 -0.052 0.000 1.325 2527 F HN -0.009 nan 8.300 nan 0.000 0.453 2528 T N 3.578 118.264 114.554 0.220 0.000 3.182 2528 T HA 0.060 4.410 4.350 -0.000 0.000 0.274 2528 T C 0.876 175.634 174.700 0.097 0.000 0.997 2528 T CA 0.092 62.245 62.100 0.087 0.000 1.082 2528 T CB -0.827 68.098 68.868 0.095 0.000 1.005 2528 T HN 0.596 nan 8.240 nan 0.000 0.688 2529 F N 3.388 123.073 119.950 -0.442 0.000 2.085 2529 F HA -0.286 4.241 4.527 -0.000 0.000 0.299 2529 F C 2.379 178.207 175.800 0.046 0.000 1.096 2529 F CA 2.201 59.989 58.000 -0.353 0.000 1.227 2529 F CB -0.417 38.324 39.000 -0.430 0.000 0.983 2529 F HN 0.536 nan 8.300 nan 0.000 0.482 2530 S N -0.650 115.091 115.700 0.069 0.000 2.469 2530 S HA -0.050 4.420 4.470 -0.000 0.000 0.238 2530 S C 2.064 176.684 174.600 0.032 0.000 0.998 2530 S CA 0.738 58.960 58.200 0.037 0.000 0.957 2530 S CB -1.123 62.135 63.200 0.097 0.000 0.764 2530 S HN 0.525 nan 8.310 nan 0.000 0.514 2531 G N -0.635 108.106 108.800 -0.098 0.000 3.042 2531 G HA2 0.365 4.325 3.960 -0.000 0.000 0.212 2531 G HA3 0.365 4.325 3.960 -0.000 0.000 0.212 2531 G C -0.145 174.405 174.900 -0.583 0.000 1.166 2531 G CA -0.277 44.587 45.100 -0.392 0.000 0.767 2531 G HN 0.507 nan 8.290 nan 0.000 0.546 2532 Y N -0.892 119.425 120.300 0.028 0.000 2.536 2532 Y HA 0.586 5.136 4.550 -0.000 0.000 0.347 2532 Y C 0.793 176.706 175.900 0.021 0.000 1.000 2532 Y CA -1.100 57.028 58.100 0.046 0.000 1.051 2532 Y CB 1.713 40.219 38.460 0.078 0.000 1.259 2532 Y HN 0.045 nan 8.280 nan 0.000 0.468 2533 G N 2.146 111.101 108.800 0.257 0.000 2.476 2533 G HA2 0.541 4.501 3.960 -0.000 0.000 0.269 2533 G HA3 0.541 4.501 3.960 -0.000 0.000 0.269 2533 G C -0.754 174.216 174.900 0.118 0.000 1.195 2533 G CA -0.607 44.597 45.100 0.174 0.000 0.843 2533 G HN 0.315 nan 8.290 nan 0.000 0.545 2534 M N 0.696 120.347 119.600 0.084 0.000 2.535 2534 M HA 0.427 4.907 4.480 -0.000 0.000 0.314 2534 M C -0.630 175.744 176.300 0.122 0.000 1.153 2534 M CA -0.611 54.715 55.300 0.043 0.000 0.924 2534 M CB 2.110 34.671 32.600 -0.066 0.000 1.710 2534 M HN 0.580 nan 8.290 nan 0.000 0.451 2535 H N -0.470 118.490 119.070 -0.183 0.000 2.747 2535 H HA 0.416 4.972 4.556 -0.000 0.000 0.371 2535 H C -1.539 173.668 175.328 -0.202 0.000 1.161 2535 H CA -0.508 55.489 56.048 -0.085 0.000 1.167 2535 H CB 2.307 32.081 29.762 0.019 0.000 1.732 2535 H HN 0.666 nan 8.280 nan 0.000 0.544 2536 W N 2.060 123.406 121.300 0.078 0.000 2.471 2536 W HA 0.450 5.110 4.660 0.000 0.000 0.318 2536 W C -1.026 175.559 176.519 0.109 0.000 1.034 2536 W CA -0.566 56.855 57.345 0.126 0.000 1.224 2536 W CB 1.637 31.175 29.460 0.130 0.000 1.335 2536 W HN 0.149 nan 8.180 nan 0.000 0.452 2537 V N 4.967 125.223 119.914 0.570 0.000 2.531 2537 V HA 0.530 4.650 4.120 -0.000 0.000 0.301 2537 V C -0.083 176.309 176.094 0.496 0.000 1.034 2537 V CA -1.218 61.390 62.300 0.514 0.000 0.865 2537 V CB 1.497 33.745 31.823 0.708 0.000 0.995 2537 V HN 0.584 nan 8.190 nan 0.000 0.424 2538 R N 3.343 123.970 120.500 0.211 0.000 2.720 2538 R HA 0.795 5.135 4.340 -0.000 0.000 0.272 2538 R C -0.743 175.590 176.300 0.055 0.000 0.991 2538 R CA -0.872 55.168 56.100 -0.099 0.000 1.010 2538 R CB 1.986 31.868 30.300 -0.697 0.000 1.141 2538 R HN 0.666 nan 8.270 nan 0.000 0.494 2539 Q N 1.784 121.601 119.800 0.028 0.000 2.337 2539 Q HA 0.393 4.733 4.340 -0.000 0.000 0.260 2539 Q C -1.220 174.798 176.000 0.031 0.000 0.982 2539 Q CA -0.551 55.308 55.803 0.092 0.000 0.734 2539 Q CB 1.978 30.856 28.738 0.234 0.000 1.272 2539 Q HN 0.859 nan 8.270 nan 0.000 0.461 2540 A N 4.713 127.546 122.820 0.022 0.000 2.507 2540 A HA 0.339 4.659 4.320 -0.000 0.000 0.235 2540 A C -2.235 175.381 177.584 0.054 0.000 1.070 2540 A CA -0.826 51.230 52.037 0.033 0.000 0.768 2540 A CB -0.279 18.743 19.000 0.037 0.000 1.011 2540 A HN 0.598 nan 8.150 nan 0.000 0.502 2541 P HA 0.222 nan 4.420 nan 0.000 0.261 2541 P C 0.842 178.186 177.300 0.074 0.000 1.203 2541 P CA 1.907 65.056 63.100 0.082 0.000 0.767 2541 P CB 0.253 32.024 31.700 0.118 0.000 0.785 2542 G N 2.093 110.932 108.800 0.064 0.000 2.160 2542 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 2542 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 2542 G C 0.096 175.023 174.900 0.045 0.000 1.008 2542 G CA 0.122 45.255 45.100 0.054 0.000 0.724 2542 G HN 0.518 nan 8.290 nan 0.000 0.514 2543 K N -1.054 119.372 120.400 0.044 0.000 2.261 2543 K HA 0.684 5.004 4.320 -0.000 0.000 0.242 2543 K C 0.983 177.604 176.600 0.034 0.000 1.083 2543 K CA -0.535 55.774 56.287 0.037 0.000 0.880 2543 K CB 1.111 33.635 32.500 0.040 0.000 1.353 2543 K HN 0.262 nan 8.250 nan 0.000 0.486 2544 G N 0.361 109.180 108.800 0.032 0.000 2.588 2544 G HA2 0.365 4.325 3.960 -0.000 0.000 0.281 2544 G HA3 0.365 4.325 3.960 -0.000 0.000 0.281 2544 G C -0.377 174.550 174.900 0.046 0.000 1.236 2544 G CA -0.711 44.406 45.100 0.028 0.000 0.969 2544 G HN 0.309 nan 8.290 nan 0.000 0.504 2545 L N -0.192 121.058 121.223 0.044 0.000 2.397 2545 L HA 0.394 4.734 4.340 -0.000 0.000 0.271 2545 L C 0.458 177.412 176.870 0.140 0.000 1.148 2545 L CA -0.041 54.852 54.840 0.089 0.000 0.825 2545 L CB 1.065 43.157 42.059 0.054 0.000 1.117 2545 L HN 0.581 nan 8.230 nan 0.000 0.456 2546 E N 1.969 122.280 120.200 0.185 0.000 2.263 2546 E HA 0.141 4.491 4.350 -0.000 0.000 0.268 2546 E C -1.690 175.096 176.600 0.309 0.000 0.884 2546 E CA -0.809 55.717 56.400 0.210 0.000 0.766 2546 E CB 1.358 31.136 29.700 0.129 0.000 1.196 2546 E HN 0.482 nan 8.360 nan 0.000 0.416 2547 W N 5.791 127.198 121.300 0.178 0.000 2.304 2547 W HA 0.220 4.879 4.660 -0.000 0.000 0.313 2547 W C -0.251 176.402 176.519 0.223 0.000 1.323 2547 W CA -0.083 57.398 57.345 0.226 0.000 1.223 2547 W CB 1.012 30.592 29.460 0.199 0.000 1.237 2547 W HN 0.416 nan 8.180 nan 0.000 0.535 2548 V N 5.042 124.754 119.914 -0.336 0.000 2.627 2548 V HA 0.465 4.585 4.120 -0.000 0.000 0.239 2548 V C 0.860 176.507 176.094 -0.744 0.000 1.077 2548 V CA 1.041 63.166 62.300 -0.291 0.000 1.103 2548 V CB -0.747 31.160 31.823 0.140 0.000 0.802 2548 V HN 0.722 nan 8.190 nan 0.000 0.482 2549 A N 0.120 122.335 122.820 -1.008 0.000 2.566 2549 A HA 0.747 5.067 4.320 -0.000 0.000 0.290 2549 A C -2.147 175.166 177.584 -0.453 0.000 1.071 2549 A CA -0.385 51.173 52.037 -0.798 0.000 0.658 2549 A CB 1.477 20.536 19.000 0.098 0.000 1.285 2549 A HN 0.610 nan 8.150 nan 0.000 0.427 2550 L N -1.127 119.984 121.223 -0.187 0.000 2.415 2550 L HA 0.973 5.313 4.340 -0.000 0.000 0.256 2550 L C -0.826 175.949 176.870 -0.158 0.000 1.010 2550 L CA -0.624 54.074 54.840 -0.237 0.000 0.826 2550 L CB 1.890 43.669 42.059 -0.468 0.000 1.405 2550 L HN 0.996 nan 8.230 nan 0.000 0.410 2551 I N 1.263 121.771 120.570 -0.104 0.000 2.607 2551 I HA 0.589 4.759 4.170 -0.000 0.000 0.290 2551 I C -0.137 175.957 176.117 -0.037 0.000 1.129 2551 I CA -0.262 60.987 61.300 -0.085 0.000 1.042 2551 I CB 2.344 40.344 38.000 0.000 0.000 1.242 2551 I HN 1.062 nan 8.210 nan 0.000 0.421 2552 S N 5.324 120.989 115.700 -0.058 0.000 2.584 2552 S HA 0.029 4.499 4.470 -0.000 0.000 0.270 2552 S C 1.059 175.683 174.600 0.040 0.000 1.346 2552 S CA 0.094 58.324 58.200 0.050 0.000 1.018 2552 S CB 0.578 63.795 63.200 0.029 0.000 0.899 2552 S HN 0.751 nan 8.310 nan 0.000 0.542 2553 Y N 1.000 121.309 120.300 0.015 0.000 2.207 2553 Y HA -0.106 4.444 4.550 -0.000 0.000 0.287 2553 Y C 1.356 177.224 175.900 -0.054 0.000 1.156 2553 Y CA 1.584 59.650 58.100 -0.057 0.000 1.182 2553 Y CB -1.091 37.325 38.460 -0.074 0.000 0.979 2553 Y HN 0.677 nan 8.280 nan 0.000 0.521 2554 D N -0.075 119.731 120.400 -0.989 0.000 2.325 2554 D HA -0.032 4.607 4.640 -0.000 0.000 0.225 2554 D C 0.387 176.494 176.300 -0.321 0.000 1.096 2554 D CA 0.532 54.081 54.000 -0.752 0.000 0.844 2554 D CB -0.609 39.612 40.800 -0.965 0.000 0.925 2554 D HN 0.707 nan 8.370 nan 0.000 0.513 2555 E N -0.967 119.111 120.200 -0.203 0.000 3.680 2555 E HA -0.318 4.032 4.350 -0.000 0.000 0.309 2555 E C 1.210 177.751 176.600 -0.098 0.000 0.793 2555 E CA 1.040 57.380 56.400 -0.099 0.000 1.083 2555 E CB -1.667 28.004 29.700 -0.048 0.000 1.548 2555 E HN 0.522 nan 8.360 nan 0.000 0.456 2556 S N 0.251 115.873 115.700 -0.131 0.000 2.345 2556 S HA -0.150 4.319 4.470 -0.000 0.000 0.220 2556 S C 0.731 175.265 174.600 -0.110 0.000 1.031 2556 S CA 1.122 59.264 58.200 -0.095 0.000 0.996 2556 S CB -0.203 62.948 63.200 -0.082 0.000 0.882 2556 S HN 0.326 nan 8.310 nan 0.000 0.445 2557 N N 1.822 120.422 118.700 -0.167 0.000 2.419 2557 N HA 0.420 5.160 4.740 -0.000 0.000 0.264 2557 N C -1.313 173.918 175.510 -0.464 0.000 1.031 2557 N CA -0.323 52.523 53.050 -0.340 0.000 0.951 2557 N CB 0.940 39.192 38.487 -0.391 0.000 1.101 2557 N HN 0.364 nan 8.380 nan 0.000 0.488 2558 K N 2.672 122.753 120.400 -0.531 0.000 2.578 2558 K HA 0.346 4.665 4.320 -0.000 0.000 0.250 2558 K C -1.525 174.711 176.600 -0.607 0.000 0.955 2558 K CA -0.704 55.283 56.287 -0.500 0.000 0.825 2558 K CB 1.374 33.720 32.500 -0.257 0.000 1.151 2558 K HN 0.354 nan 8.250 nan 0.000 0.432 2559 Y N 1.175 121.235 120.300 -0.401 0.000 2.468 2559 Y HA 0.478 5.028 4.550 -0.000 0.000 0.342 2559 Y C -0.397 175.246 175.900 -0.427 0.000 1.021 2559 Y CA -1.256 56.687 58.100 -0.263 0.000 1.079 2559 Y CB 1.264 39.812 38.460 0.147 0.000 1.226 2559 Y HN 0.421 nan 8.280 nan 0.000 0.460 2560 Y N -0.345 120.174 120.300 0.365 0.000 2.576 2560 Y HA 0.728 5.278 4.550 -0.000 0.000 0.346 2560 Y C -0.017 176.002 175.900 0.198 0.000 1.018 2560 Y CA -1.868 56.283 58.100 0.085 0.000 1.050 2560 Y CB 1.559 40.058 38.460 0.064 0.000 1.280 2560 Y HN 0.685 nan 8.280 nan 0.000 0.474 2561 A N 0.923 123.861 122.820 0.197 0.000 2.407 2561 A HA 0.123 4.443 4.320 -0.000 0.000 0.248 2561 A C 0.735 178.419 177.584 0.166 0.000 1.082 2561 A CA -0.312 51.895 52.037 0.284 0.000 0.785 2561 A CB 0.103 19.206 19.000 0.173 0.000 1.020 2561 A HN 0.919 nan 8.150 nan 0.000 0.489 2562 D N 1.431 121.924 120.400 0.154 0.000 2.158 2562 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 2562 D C 2.179 178.489 176.300 0.017 0.000 0.995 2562 D CA 2.052 56.104 54.000 0.086 0.000 0.846 2562 D CB -0.182 40.662 40.800 0.073 0.000 0.941 2562 D HN 0.687 nan 8.370 nan 0.000 0.456 2563 S N 0.305 115.999 115.700 -0.009 0.000 2.423 2563 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 2563 S C 2.140 176.625 174.600 -0.192 0.000 1.014 2563 S CA 1.152 59.307 58.200 -0.075 0.000 0.965 2563 S CB -0.371 62.791 63.200 -0.064 0.000 0.785 2563 S HN 0.304 nan 8.310 nan 0.000 0.495 2564 V N -1.828 117.927 119.914 -0.265 0.000 3.643 2564 V HA 0.406 4.526 4.120 -0.000 0.000 0.280 2564 V C 0.485 176.405 176.094 -0.290 0.000 1.351 2564 V CA -0.374 61.614 62.300 -0.519 0.000 1.073 2564 V CB -0.809 30.437 31.823 -0.962 0.000 0.863 2564 V HN 0.246 nan 8.190 nan 0.000 0.436 2565 K N 2.067 122.399 120.400 -0.113 0.000 2.437 2565 K HA 0.377 4.697 4.320 -0.000 0.000 0.277 2565 K C 1.265 177.821 176.600 -0.073 0.000 1.073 2565 K CA 1.560 57.825 56.287 -0.038 0.000 1.105 2565 K CB -0.200 32.345 32.500 0.076 0.000 0.881 2565 K HN 0.858 nan 8.250 nan 0.000 0.475 2566 G N 4.109 112.840 108.800 -0.115 0.000 2.284 2566 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.230 2566 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.230 2566 G C 1.095 175.957 174.900 -0.064 0.000 1.021 2566 G CA 0.380 45.439 45.100 -0.068 0.000 0.619 2566 G HN 0.614 nan 8.290 nan 0.000 0.510 2567 R N -0.778 119.686 120.500 -0.061 0.000 2.074 2567 R HA 0.411 4.751 4.340 -0.000 0.000 0.218 2567 R C 0.859 177.264 176.300 0.175 0.000 1.137 2567 R CA 0.593 56.721 56.100 0.045 0.000 0.998 2567 R CB -0.074 30.254 30.300 0.047 0.000 0.895 2567 R HN 0.255 nan 8.270 nan 0.000 0.442 2568 F N 0.385 120.188 119.950 -0.245 0.000 2.370 2568 F HA 0.393 4.920 4.527 -0.000 0.000 0.319 2568 F C 0.448 175.971 175.800 -0.462 0.000 1.129 2568 F CA -0.720 57.101 58.000 -0.298 0.000 1.109 2568 F CB 1.393 40.235 39.000 -0.263 0.000 1.262 2568 F HN -0.221 nan 8.300 nan 0.000 0.534 2569 T N 2.652 117.112 114.554 -0.156 0.000 3.172 2569 T HA 0.456 4.806 4.350 -0.000 0.000 0.320 2569 T C -1.169 173.594 174.700 0.103 0.000 1.085 2569 T CA -0.437 61.576 62.100 -0.144 0.000 1.052 2569 T CB 0.963 69.785 68.868 -0.078 0.000 1.107 2569 T HN 0.509 nan 8.240 nan 0.000 0.458 2570 I N 3.863 124.665 120.570 0.387 0.000 2.525 2570 I HA 0.825 4.995 4.170 -0.000 0.000 0.301 2570 I C -0.313 175.988 176.117 0.307 0.000 0.992 2570 I CA -0.033 61.506 61.300 0.399 0.000 1.162 2570 I CB 1.353 39.651 38.000 0.497 0.000 1.332 2570 I HN 0.825 nan 8.210 nan 0.000 0.458 2571 S N 6.371 122.262 115.700 0.318 0.000 2.611 2571 S HA 0.673 5.143 4.470 -0.000 0.000 0.268 2571 S C -1.210 173.593 174.600 0.339 0.000 1.156 2571 S CA -1.101 57.263 58.200 0.273 0.000 0.817 2571 S CB 1.979 65.316 63.200 0.227 0.000 1.122 2571 S HN 0.894 nan 8.310 nan 0.000 0.466 2572 R N 0.015 120.693 120.500 0.296 0.000 2.774 2572 R HA 0.676 5.016 4.340 -0.000 0.000 0.272 2572 R C -2.126 174.344 176.300 0.284 0.000 1.000 2572 R CA -0.754 55.535 56.100 0.314 0.000 0.906 2572 R CB 1.585 32.095 30.300 0.350 0.000 1.227 2572 R HN 0.601 nan 8.270 nan 0.000 0.468 2573 D N 1.396 121.937 120.400 0.234 0.000 2.432 2573 D HA 0.167 4.807 4.640 -0.000 0.000 0.265 2573 D C -0.235 176.137 176.300 0.119 0.000 1.160 2573 D CA -0.440 53.665 54.000 0.174 0.000 0.911 2573 D CB 0.879 41.801 40.800 0.203 0.000 1.052 2573 D HN 0.501 nan 8.370 nan 0.000 0.508 2574 N N 0.748 119.565 118.700 0.195 0.000 2.334 2574 N HA -0.176 4.564 4.740 -0.000 0.000 0.187 2574 N C 1.772 177.341 175.510 0.097 0.000 1.016 2574 N CA 1.087 54.276 53.050 0.231 0.000 0.879 2574 N CB 0.185 38.778 38.487 0.176 0.000 0.965 2574 N HN 0.479 nan 8.380 nan 0.000 0.438 2575 S N -0.273 115.455 115.700 0.046 0.000 2.395 2575 S HA 0.053 4.522 4.470 -0.000 0.000 0.225 2575 S C 1.792 176.370 174.600 -0.037 0.000 1.027 2575 S CA 0.638 58.843 58.200 0.008 0.000 0.965 2575 S CB 0.048 63.256 63.200 0.014 0.000 0.812 2575 S HN -0.024 nan 8.310 nan 0.000 0.482 2576 K N 1.541 121.906 120.400 -0.059 0.000 2.426 2576 K HA 0.281 4.601 4.320 -0.000 0.000 0.193 2576 K C 0.067 176.511 176.600 -0.260 0.000 1.028 2576 K CA -0.024 56.198 56.287 -0.109 0.000 1.047 2576 K CB -0.431 32.040 32.500 -0.049 0.000 0.821 2576 K HN 0.497 nan 8.250 nan 0.000 0.513 2577 N N 0.661 119.128 118.700 -0.388 0.000 2.740 2577 N HA -0.162 4.577 4.740 -0.000 0.000 0.248 2577 N C -1.169 173.624 175.510 -1.195 0.000 1.062 2577 N CA 0.878 53.411 53.050 -0.862 0.000 0.704 2577 N CB -0.960 37.219 38.487 -0.512 0.000 0.968 2577 N HN 0.113 nan 8.380 nan 0.000 0.547 2578 T N 0.880 114.844 114.554 -0.983 0.000 2.886 2578 T HA 0.530 4.880 4.350 -0.000 0.000 0.292 2578 T C -0.341 173.973 174.700 -0.644 0.000 1.012 2578 T CA -0.570 61.060 62.100 -0.783 0.000 0.982 2578 T CB 2.572 71.077 68.868 -0.605 0.000 1.018 2578 T HN 0.199 nan 8.240 nan 0.000 0.451 2579 L N 3.367 124.345 121.223 -0.408 0.000 2.322 2579 L HA 0.739 5.079 4.340 -0.000 0.000 0.279 2579 L C -1.712 175.067 176.870 -0.152 0.000 1.036 2579 L CA -0.360 54.443 54.840 -0.061 0.000 0.807 2579 L CB 0.641 42.742 42.059 0.069 0.000 1.226 2579 L HN 0.596 nan 8.230 nan 0.000 0.433 2580 Y N 4.279 124.805 120.300 0.376 0.000 2.570 2580 Y HA 0.739 5.289 4.550 -0.000 0.000 0.345 2580 Y C -0.969 175.146 175.900 0.358 0.000 1.014 2580 Y CA -0.940 57.356 58.100 0.327 0.000 1.063 2580 Y CB 1.987 40.533 38.460 0.143 0.000 1.272 2580 Y HN 0.523 nan 8.280 nan 0.000 0.477 2581 L N 2.489 123.818 121.223 0.177 0.000 2.491 2581 L HA 0.483 4.823 4.340 -0.000 0.000 0.267 2581 L C -1.327 175.332 176.870 -0.352 0.000 0.971 2581 L CA -0.647 54.041 54.840 -0.254 0.000 0.857 2581 L CB 1.670 43.074 42.059 -1.090 0.000 1.226 2581 L HN 0.654 nan 8.230 nan 0.000 0.408 2582 Q N 4.979 124.620 119.800 -0.266 0.000 2.296 2582 Q HA 0.621 4.961 4.340 -0.000 0.000 0.257 2582 Q C -1.395 174.325 176.000 -0.468 0.000 0.942 2582 Q CA 0.272 55.899 55.803 -0.292 0.000 0.939 2582 Q CB 1.147 29.787 28.738 -0.163 0.000 1.198 2582 Q HN 0.681 nan 8.270 nan 0.000 0.429 2583 M N 4.338 123.594 119.600 -0.573 0.000 2.043 2583 M HA 0.461 4.940 4.480 -0.000 0.000 0.322 2583 M C -0.816 175.322 176.300 -0.269 0.000 0.962 2583 M CA -0.622 54.236 55.300 -0.737 0.000 0.927 2583 M CB 1.154 33.118 32.600 -1.060 0.000 1.466 2583 M HN 0.476 nan 8.290 nan 0.000 0.412 2584 N N 0.663 119.325 118.700 -0.065 0.000 2.432 2584 N HA 0.288 5.028 4.740 -0.000 0.000 0.292 2584 N C 0.091 175.634 175.510 0.055 0.000 1.193 2584 N CA -0.280 52.759 53.050 -0.018 0.000 0.878 2584 N CB 1.848 40.323 38.487 -0.020 0.000 1.252 2584 N HN 0.706 nan 8.380 nan 0.000 0.520 2585 S N 0.064 115.778 115.700 0.024 0.000 3.631 2585 S HA -0.181 4.289 4.470 -0.000 0.000 0.366 2585 S C -0.056 174.581 174.600 0.061 0.000 0.993 2585 S CA -0.093 58.126 58.200 0.032 0.000 1.167 2585 S CB -1.606 61.609 63.200 0.025 0.000 0.909 2585 S HN 0.410 nan 8.310 nan 0.000 0.478 2586 L N 1.674 122.934 121.223 0.060 0.000 2.540 2586 L HA 0.149 4.489 4.340 -0.000 0.000 0.276 2586 L C 1.237 178.145 176.870 0.063 0.000 1.212 2586 L CA 0.658 55.550 54.840 0.086 0.000 0.893 2586 L CB 0.213 42.297 42.059 0.041 0.000 1.138 2586 L HN 0.399 nan 8.230 nan 0.000 0.491 2587 R N 2.136 122.682 120.500 0.076 0.000 2.828 2587 R HA 0.502 4.842 4.340 -0.000 0.000 0.264 2587 R C 0.781 177.116 176.300 0.058 0.000 1.022 2587 R CA -0.424 55.705 56.100 0.048 0.000 1.021 2587 R CB 1.173 31.493 30.300 0.033 0.000 1.163 2587 R HN 0.692 nan 8.270 nan 0.000 0.494 2588 A N 1.190 124.034 122.820 0.040 0.000 1.972 2588 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 2588 A C 1.594 179.212 177.584 0.056 0.000 1.169 2588 A CA 1.548 53.610 52.037 0.042 0.000 0.635 2588 A CB -0.470 18.542 19.000 0.019 0.000 0.810 2588 A HN 0.865 nan 8.150 nan 0.000 0.446 2589 E N 0.233 120.462 120.200 0.048 0.000 2.219 2589 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 2589 E C 0.697 177.345 176.600 0.079 0.000 0.998 2589 E CA 1.130 57.559 56.400 0.049 0.000 0.818 2589 E CB -0.206 29.511 29.700 0.028 0.000 0.741 2589 E HN 0.567 nan 8.360 nan 0.000 0.477 2590 D N 0.510 120.984 120.400 0.123 0.000 2.363 2590 D HA -0.031 4.609 4.640 -0.000 0.000 0.226 2590 D C 0.077 176.532 176.300 0.257 0.000 1.020 2590 D CA 0.493 54.630 54.000 0.229 0.000 0.892 2590 D CB -0.083 40.914 40.800 0.328 0.000 0.900 2590 D HN -0.012 nan 8.370 nan 0.000 0.531 2591 T N 1.498 116.152 114.554 0.167 0.000 2.829 2591 T HA 0.405 4.755 4.350 -0.000 0.000 0.293 2591 T C 0.260 175.042 174.700 0.136 0.000 0.970 2591 T CA 0.117 62.315 62.100 0.164 0.000 1.168 2591 T CB 0.602 69.548 68.868 0.130 0.000 0.911 2591 T HN 0.185 nan 8.240 nan 0.000 0.535 2592 A N 3.234 126.148 122.820 0.156 0.000 2.490 2592 A HA 0.565 4.885 4.320 -0.000 0.000 0.292 2592 A C -1.132 176.474 177.584 0.037 0.000 1.047 2592 A CA -0.819 51.230 52.037 0.020 0.000 0.632 2592 A CB 0.728 19.623 19.000 -0.175 0.000 1.323 2592 A HN 0.536 nan 8.150 nan 0.000 0.448 2593 V N 1.216 121.095 119.914 -0.057 0.000 2.432 2593 V HA 0.371 4.491 4.120 -0.000 0.000 0.271 2593 V C -0.960 175.016 176.094 -0.196 0.000 1.046 2593 V CA 0.184 62.421 62.300 -0.106 0.000 0.945 2593 V CB 0.317 32.011 31.823 -0.215 0.000 0.992 2593 V HN 0.640 nan 8.190 nan 0.000 0.471 2594 Y N 4.682 124.913 120.300 -0.115 0.000 2.328 2594 Y HA 0.552 5.102 4.550 -0.000 0.000 0.337 2594 Y C -0.234 175.767 175.900 0.169 0.000 1.008 2594 Y CA -0.352 57.796 58.100 0.079 0.000 1.129 2594 Y CB 1.161 39.631 38.460 0.017 0.000 1.185 2594 Y HN 0.540 nan 8.280 nan 0.000 0.476 2595 Y N 1.820 122.484 120.300 0.607 0.000 2.446 2595 Y HA 0.535 5.085 4.550 -0.000 0.000 0.338 2595 Y C 0.031 176.211 175.900 0.467 0.000 1.055 2595 Y CA -1.390 57.035 58.100 0.542 0.000 1.101 2595 Y CB 1.283 40.088 38.460 0.574 0.000 1.221 2595 Y HN 0.631 nan 8.280 nan 0.000 0.460 2596 c N 0.731 119.458 118.600 0.212 0.000 2.355 2596 c HA 0.989 5.559 4.570 -0.000 0.000 0.332 2596 c C -0.073 173.894 174.090 -0.205 0.000 1.255 2596 c CA -0.824 55.240 56.329 -0.442 0.000 1.792 2596 c CB -0.100 41.829 42.510 -0.968 0.000 2.300 2596 c HN 0.975 nan 8.230 nan 0.000 0.515 2597 A N 3.469 126.069 122.820 -0.367 0.000 2.371 2597 A HA 0.749 5.069 4.320 -0.000 0.000 0.311 2597 A C -0.500 176.824 177.584 -0.433 0.000 1.068 2597 A CA -0.552 51.135 52.037 -0.584 0.000 0.744 2597 A CB 0.954 19.157 19.000 -1.329 0.000 1.239 2597 A HN 1.037 nan 8.150 nan 0.000 0.435 2598 K N 1.906 122.063 120.400 -0.405 0.000 2.118 2598 K HA 0.594 4.913 4.320 -0.000 0.000 0.267 2598 K C -0.097 176.250 176.600 -0.422 0.000 0.991 2598 K CA -0.406 55.669 56.287 -0.353 0.000 0.916 2598 K CB 1.157 33.351 32.500 -0.510 0.000 1.041 2598 K HN 0.760 nan 8.250 nan 0.000 0.455 2599 V N 0.837 120.550 119.914 -0.334 0.000 2.863 2599 V HA 0.258 4.378 4.120 -0.000 0.000 0.307 2599 V C 1.202 177.066 176.094 -0.382 0.000 1.061 2599 V CA -0.506 61.575 62.300 -0.366 0.000 1.024 2599 V CB 1.558 33.243 31.823 -0.229 0.000 1.049 2599 V HN 1.020 nan 8.190 nan 0.000 0.471 2600 K N 1.562 121.664 120.400 -0.496 0.000 2.103 2600 K HA 0.123 4.443 4.320 -0.000 0.000 0.204 2600 K C 0.094 176.615 176.600 -0.133 0.000 1.052 2600 K CA 1.404 57.428 56.287 -0.438 0.000 0.945 2600 K CB 0.055 32.209 32.500 -0.577 0.000 0.722 2600 K HN 0.806 nan 8.250 nan 0.000 0.443 2601 F N -3.949 116.061 119.950 0.100 0.000 2.831 2601 F HA 0.225 4.752 4.527 -0.000 0.000 0.318 2601 F C -1.100 174.805 175.800 0.175 0.000 1.174 2601 F CA -1.825 56.290 58.000 0.191 0.000 0.918 2601 F CB 0.151 39.215 39.000 0.106 0.000 1.364 2601 F HN -0.263 nan 8.300 nan 0.000 0.475 2602 Y N 2.311 122.808 120.300 0.329 0.000 2.532 2602 Y HA 0.368 4.918 4.550 -0.000 0.000 0.337 2602 Y C -0.654 175.369 175.900 0.205 0.000 1.274 2602 Y CA -0.252 57.932 58.100 0.140 0.000 1.817 2602 Y CB -0.682 37.742 38.460 -0.060 0.000 1.769 2602 Y HN 0.606 nan 8.280 nan 0.000 0.447 2603 D N 4.697 125.101 120.400 0.006 0.000 2.927 2603 D HA 0.178 4.818 4.640 -0.000 0.000 0.219 2603 D C -2.404 173.874 176.300 -0.037 0.000 1.248 2603 D CA -1.621 52.367 54.000 -0.020 0.000 0.861 2603 D CB 2.828 43.802 40.800 0.290 0.000 1.677 2603 D HN 0.103 nan 8.370 nan 0.000 0.511 2604 P HA -0.094 nan 4.420 nan 0.000 0.218 2604 P C 1.168 178.471 177.300 0.004 0.000 1.148 2604 P CA 1.399 64.490 63.100 -0.014 0.000 0.822 2604 P CB 0.128 31.823 31.700 -0.010 0.000 0.784 2605 T N -4.155 110.406 114.554 0.012 0.000 3.144 2605 T HA 0.408 4.758 4.350 -0.000 0.000 0.249 2605 T C 0.800 175.478 174.700 -0.037 0.000 1.089 2605 T CA -0.288 61.811 62.100 -0.001 0.000 0.989 2605 T CB -0.776 68.109 68.868 0.028 0.000 0.992 2605 T HN 0.044 nan 8.240 nan 0.000 0.540 2606 A N 3.952 126.716 122.820 -0.093 0.000 2.546 2606 A HA 0.442 4.762 4.320 -0.000 0.000 0.243 2606 A C -1.693 175.630 177.584 -0.434 0.000 1.063 2606 A CA -1.061 50.706 52.037 -0.449 0.000 0.757 2606 A CB -0.154 18.528 19.000 -0.530 0.000 0.991 2606 A HN 0.468 nan 8.150 nan 0.000 0.503 2607 P HA 0.116 nan 4.420 nan 0.000 0.274 2607 P C -0.853 176.205 177.300 -0.402 0.000 1.231 2607 P CA -0.496 62.404 63.100 -0.335 0.000 0.790 2607 P CB 0.531 32.085 31.700 -0.243 0.000 0.951 2608 N N 1.615 120.100 118.700 -0.359 0.000 2.421 2608 N HA -0.001 4.739 4.740 -0.000 0.000 0.260 2608 N C 1.034 176.339 175.510 -0.342 0.000 1.173 2608 N CA -0.123 52.619 53.050 -0.514 0.000 0.960 2608 N CB 0.058 38.070 38.487 -0.791 0.000 1.273 2608 N HN 0.408 nan 8.380 nan 0.000 0.497 2609 D N 1.075 121.249 120.400 -0.377 0.000 2.249 2609 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 2609 D C -0.394 175.582 176.300 -0.541 0.000 0.962 2609 D CA 1.042 54.804 54.000 -0.397 0.000 0.860 2609 D CB 0.036 40.585 40.800 -0.418 0.000 0.955 2609 D HN 0.368 nan 8.370 nan 0.000 0.505 2610 Y N -0.934 119.211 120.300 -0.257 0.000 2.346 2610 Y HA 0.406 4.956 4.550 -0.000 0.000 0.332 2610 Y C -0.868 174.945 175.900 -0.144 0.000 0.985 2610 Y CA -1.241 56.775 58.100 -0.140 0.000 1.112 2610 Y CB 1.291 39.593 38.460 -0.264 0.000 1.170 2610 Y HN -0.222 nan 8.280 nan 0.000 0.447 2611 W N 1.344 122.657 121.300 0.020 0.000 2.639 2611 W HA 0.735 5.395 4.660 -0.000 0.000 0.347 2611 W C 0.460 177.045 176.519 0.110 0.000 1.067 2611 W CA -1.039 56.323 57.345 0.028 0.000 1.218 2611 W CB 1.313 30.732 29.460 -0.068 0.000 1.393 2611 W HN 0.667 nan 8.180 nan 0.000 0.557 2612 G N 0.454 109.505 108.800 0.419 0.000 2.557 2612 G HA2 0.154 4.113 3.960 -0.000 0.000 0.292 2612 G HA3 0.154 4.113 3.960 -0.000 0.000 0.292 2612 G C 0.353 175.517 174.900 0.440 0.000 1.237 2612 G CA -0.342 44.962 45.100 0.339 0.000 0.978 2612 G HN 0.433 nan 8.290 nan 0.000 0.498 2613 Q N -0.511 119.466 119.800 0.296 0.000 2.230 2613 Q HA 0.154 4.494 4.340 -0.000 0.000 0.202 2613 Q C 1.324 177.430 176.000 0.176 0.000 0.963 2613 Q CA 1.149 57.108 55.803 0.260 0.000 0.866 2613 Q CB -0.067 28.763 28.738 0.153 0.000 0.931 2613 Q HN 1.161 nan 8.270 nan 0.000 0.452 2614 G N 0.595 109.453 108.800 0.096 0.000 2.675 2614 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 2614 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 2614 G C -0.583 174.293 174.900 -0.040 0.000 1.215 2614 G CA -0.297 44.707 45.100 -0.160 0.000 0.777 2614 G HN 0.130 nan 8.290 nan 0.000 0.638 2615 T N 0.127 114.686 114.554 0.007 0.000 2.824 2615 T HA 0.662 5.012 4.350 -0.000 0.000 0.282 2615 T C 0.321 175.051 174.700 0.050 0.000 0.993 2615 T CA -0.743 61.378 62.100 0.035 0.000 0.967 2615 T CB 2.195 71.091 68.868 0.047 0.000 0.960 2615 T HN 0.910 nan 8.240 nan 0.000 0.441 2616 L N 3.460 124.700 121.223 0.028 0.000 2.331 2616 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 2616 L C -0.900 176.009 176.870 0.064 0.000 1.106 2616 L CA -0.583 54.289 54.840 0.052 0.000 0.824 2616 L CB 0.724 42.795 42.059 0.020 0.000 1.142 2616 L HN 0.525 nan 8.230 nan 0.000 0.443 2617 V N 3.961 123.952 119.914 0.128 0.000 2.325 2617 V HA 0.246 4.366 4.120 -0.000 0.000 0.280 2617 V C -0.133 176.030 176.094 0.114 0.000 1.016 2617 V CA -0.465 61.884 62.300 0.081 0.000 0.818 2617 V CB 1.682 33.538 31.823 0.056 0.000 1.019 2617 V HN 0.786 nan 8.190 nan 0.000 0.434 2618 T N 4.523 119.125 114.554 0.080 0.000 2.738 2618 T HA 0.429 4.779 4.350 -0.000 0.000 0.298 2618 T C -0.108 174.642 174.700 0.083 0.000 0.962 2618 T CA -0.328 61.836 62.100 0.106 0.000 0.972 2618 T CB 1.289 70.228 68.868 0.119 0.000 0.928 2618 T HN 0.253 nan 8.240 nan 0.000 0.474 2619 V N 3.704 123.670 119.914 0.087 0.000 2.318 2619 V HA 0.584 4.704 4.120 -0.000 0.000 0.271 2619 V C 0.199 176.323 176.094 0.050 0.000 1.030 2619 V CA -0.301 62.035 62.300 0.060 0.000 0.844 2619 V CB 1.032 32.894 31.823 0.066 0.000 1.015 2619 V HN 0.913 nan 8.190 nan 0.000 0.460 2620 S N 2.704 118.427 115.700 0.038 0.000 2.549 2620 S HA 0.426 4.896 4.470 -0.000 0.000 0.280 2620 S C 0.963 175.570 174.600 0.010 0.000 1.109 2620 S CA 0.057 58.269 58.200 0.019 0.000 0.905 2620 S CB 2.189 65.406 63.200 0.029 0.000 1.081 2620 S HN 0.823 nan 8.310 nan 0.000 0.477 2621 S N 2.266 117.965 115.700 -0.002 0.000 2.527 2621 S HA 0.259 4.729 4.470 -0.000 0.000 0.222 2621 S C 1.010 175.609 174.600 -0.002 0.000 0.985 2621 S CA 0.108 58.306 58.200 -0.003 0.000 0.921 2621 S CB -0.403 62.792 63.200 -0.008 0.000 0.772 2621 S HN 0.882 nan 8.310 nan 0.000 0.529 2622 G N 1.557 110.355 108.800 -0.004 0.000 2.528 2622 G HA2 0.498 4.458 3.960 -0.000 0.000 0.289 2622 G HA3 0.498 4.458 3.960 -0.000 0.000 0.289 2622 G C -0.376 174.534 174.900 0.016 0.000 1.192 2622 G CA -0.452 44.648 45.100 0.000 0.000 0.921 2622 G HN 0.448 nan 8.290 nan 0.000 0.512 2623 S N -0.621 115.092 115.700 0.021 0.000 2.541 2623 S HA 0.663 5.133 4.470 -0.000 0.000 0.283 2623 S C 0.315 174.948 174.600 0.055 0.000 1.196 2623 S CA -0.292 57.927 58.200 0.032 0.000 1.062 2623 S CB 1.710 64.925 63.200 0.024 0.000 1.009 2623 S HN 1.226 nan 8.310 nan 0.000 0.502 2624 A N 2.561 125.421 122.820 0.067 0.000 2.520 2624 A HA 0.540 4.860 4.320 -0.000 0.000 0.245 2624 A C 0.550 178.203 177.584 0.115 0.000 1.072 2624 A CA -0.250 51.852 52.037 0.110 0.000 0.761 2624 A CB -0.636 18.419 19.000 0.092 0.000 1.004 2624 A HN 1.387 nan 8.150 nan 0.000 0.499 2625 S N 0.608 116.406 115.700 0.164 0.000 2.596 2625 S HA 0.781 5.251 4.470 -0.000 0.000 0.270 2625 S C -0.318 174.344 174.600 0.103 0.000 1.155 2625 S CA -0.294 57.976 58.200 0.116 0.000 0.827 2625 S CB 1.236 64.471 63.200 0.058 0.000 1.130 2625 S HN 1.881 nan 8.310 nan 0.000 0.467 2626 A N 2.008 124.847 122.820 0.031 0.000 2.322 2626 A HA 0.775 5.095 4.320 -0.000 0.000 0.269 2626 A C -2.373 175.096 177.584 -0.192 0.000 1.094 2626 A CA -1.712 50.255 52.037 -0.115 0.000 0.807 2626 A CB -0.556 18.419 19.000 -0.041 0.000 1.047 2626 A HN 0.662 nan 8.150 nan 0.000 0.487 2627 P HA 0.141 nan 4.420 nan 0.000 0.272 2627 P C -0.514 176.655 177.300 -0.219 0.000 1.223 2627 P CA 0.191 63.157 63.100 -0.224 0.000 0.784 2627 P CB 0.498 31.903 31.700 -0.491 0.000 0.923 2628 T N 3.266 117.692 114.554 -0.214 0.000 2.801 2628 T HA 0.360 4.710 4.350 -0.000 0.000 0.306 2628 T C 0.372 174.700 174.700 -0.619 0.000 1.020 2628 T CA -0.411 61.453 62.100 -0.394 0.000 0.948 2628 T CB -0.059 68.569 68.868 -0.400 0.000 0.962 2628 T HN 0.195 nan 8.240 nan 0.000 0.465 2629 L N 3.831 124.734 121.223 -0.532 0.000 2.397 2629 L HA 0.527 4.867 4.340 -0.000 0.000 0.271 2629 L C -0.723 175.822 176.870 -0.543 0.000 1.148 2629 L CA -0.300 54.287 54.840 -0.422 0.000 0.825 2629 L CB 0.394 42.301 42.059 -0.254 0.000 1.117 2629 L HN 0.502 nan 8.230 nan 0.000 0.456 2630 F N 2.433 122.397 119.950 0.023 0.000 2.574 2630 F HA 0.447 4.974 4.527 -0.000 0.000 0.313 2630 F C -2.237 173.589 175.800 0.044 0.000 1.130 2630 F CA -2.535 55.481 58.000 0.027 0.000 0.936 2630 F CB 1.735 40.755 39.000 0.034 0.000 1.219 2630 F HN 0.229 nan 8.300 nan 0.000 0.445 2631 P HA 0.405 nan 4.420 nan 0.000 0.282 2631 P C -1.104 176.286 177.300 0.150 0.000 1.249 2631 P CA -0.299 62.906 63.100 0.174 0.000 0.806 2631 P CB 1.719 33.498 31.700 0.131 0.000 0.984 2632 L N 2.959 124.269 121.223 0.145 0.000 2.318 2632 L HA 0.416 4.756 4.340 -0.000 0.000 0.277 2632 L C -0.216 176.698 176.870 0.073 0.000 1.008 2632 L CA -0.886 54.010 54.840 0.092 0.000 0.846 2632 L CB 1.756 43.861 42.059 0.076 0.000 1.220 2632 L HN 0.077 nan 8.230 nan 0.000 0.423 2633 V N 1.391 121.336 119.914 0.052 0.000 2.459 2633 V HA 0.344 4.464 4.120 -0.000 0.000 0.295 2633 V C 0.324 176.430 176.094 0.020 0.000 1.029 2633 V CA -0.784 61.540 62.300 0.041 0.000 0.874 2633 V CB 2.037 33.887 31.823 0.046 0.000 0.985 2633 V HN 0.841 nan 8.190 nan 0.000 0.438 2634 S N 2.633 118.340 115.700 0.012 0.000 2.537 2634 S HA 0.052 4.522 4.470 -0.000 0.000 0.286 2634 S C 0.234 174.837 174.600 0.005 0.000 1.299 2634 S CA -0.452 57.749 58.200 0.002 0.000 1.067 2634 S CB 0.372 63.571 63.200 -0.003 0.000 0.864 2634 S HN 0.867 nan 8.310 nan 0.000 0.494 2635 C N 4.698 123.998 119.300 0.000 0.000 2.601 2635 C HA 0.131 4.591 4.460 -0.000 0.000 0.405 2635 C C 1.242 176.233 174.990 0.002 0.000 1.441 2635 C CA 0.533 59.552 59.018 0.001 0.000 1.555 2635 C CB -1.955 25.783 27.740 -0.003 0.000 2.450 2635 C HN 1.029 nan 8.230 nan 0.000 0.614 2636 E N 2.469 122.672 120.200 0.005 0.000 3.496 2636 E HA -0.231 4.119 4.350 -0.000 0.000 0.300 2636 E C 0.300 176.904 176.600 0.007 0.000 0.877 2636 E CA 1.377 57.780 56.400 0.006 0.000 1.050 2636 E CB -1.840 27.861 29.700 0.003 0.000 1.532 2636 E HN 1.012 nan 8.360 nan 0.000 0.447 2637 N N -0.714 117.991 118.700 0.008 0.000 5.071 2637 N HA -0.175 4.565 4.740 -0.000 0.000 0.359 2637 N C -0.933 174.579 175.510 0.003 0.000 1.477 2637 N CA 1.260 54.314 53.050 0.008 0.000 2.762 2637 N CB -0.420 38.074 38.487 0.011 0.000 0.485 2637 N HN 0.072 nan 8.380 nan 0.000 0.771 2638 S N 2.049 117.750 115.700 0.001 0.000 3.483 2638 S HA 0.071 4.541 4.470 -0.000 0.000 0.274 2638 S C 1.618 176.217 174.600 -0.001 0.000 1.289 2638 S CA -0.347 57.851 58.200 -0.002 0.000 0.938 2638 S CB -0.455 62.741 63.200 -0.007 0.000 1.453 2638 S HN 0.569 nan 8.310 nan 0.000 0.494 2639 N N 3.334 122.034 118.700 0.000 0.000 2.290 2639 N HA -0.030 4.710 4.740 -0.000 0.000 0.179 2639 N C -1.466 174.044 175.510 -0.000 0.000 1.016 2639 N CA 0.317 53.367 53.050 0.001 0.000 0.871 2639 N CB -0.960 37.528 38.487 0.002 0.000 0.987 2639 N HN 0.360 nan 8.380 nan 0.000 0.431 2640 P HA 0.272 nan 4.420 nan 0.000 0.220 2640 P C -0.874 176.425 177.300 -0.002 0.000 1.793 2640 P CA 0.049 63.148 63.100 -0.001 0.000 0.917 2640 P CB 0.022 31.722 31.700 -0.001 0.000 1.755 2641 S N -0.994 114.704 115.700 -0.002 0.000 2.537 2641 S HA 0.307 4.777 4.470 -0.000 0.000 0.271 2641 S C 0.816 175.414 174.600 -0.003 0.000 1.148 2641 S CA -0.365 57.833 58.200 -0.003 0.000 0.868 2641 S CB 1.100 64.297 63.200 -0.005 0.000 1.115 2641 S HN -0.019 nan 8.310 nan 0.000 0.461 2642 S N 1.574 117.272 115.700 -0.004 0.000 2.555 2642 S HA 0.095 4.565 4.470 -0.000 0.000 0.230 2642 S C 0.469 175.066 174.600 -0.004 0.000 0.978 2642 S CA 0.792 58.990 58.200 -0.003 0.000 0.934 2642 S CB -0.325 62.873 63.200 -0.003 0.000 0.766 2642 S HN 0.899 nan 8.310 nan 0.000 0.533 2643 T N -0.102 114.448 114.554 -0.007 0.000 3.031 2643 T HA 0.518 4.868 4.350 -0.000 0.000 0.305 2643 T C -0.463 174.228 174.700 -0.014 0.000 0.985 2643 T CA -1.027 61.067 62.100 -0.010 0.000 1.008 2643 T CB 1.225 70.084 68.868 -0.015 0.000 1.005 2643 T HN 0.039 nan 8.240 nan 0.000 0.444 2644 V N 0.989 120.896 119.914 -0.012 0.000 2.555 2644 V HA 0.813 4.933 4.120 -0.000 0.000 0.286 2644 V C 0.460 176.535 176.094 -0.033 0.000 1.044 2644 V CA -0.789 61.502 62.300 -0.014 0.000 1.026 2644 V CB -0.002 31.820 31.823 -0.003 0.000 0.981 2644 V HN 1.251 nan 8.190 nan 0.000 0.480 2645 A N 5.620 128.418 122.820 -0.037 0.000 2.258 2645 A HA 0.801 5.121 4.320 -0.000 0.000 0.316 2645 A C -0.166 177.383 177.584 -0.058 0.000 1.279 2645 A CA -0.286 51.714 52.037 -0.063 0.000 0.876 2645 A CB 1.078 20.045 19.000 -0.054 0.000 1.170 2645 A HN 2.006 nan 8.150 nan 0.000 0.520 2646 V N 0.683 120.540 119.914 -0.095 0.000 2.769 2646 V HA 1.022 5.142 4.120 -0.000 0.000 0.312 2646 V C 0.319 176.366 176.094 -0.078 0.000 1.058 2646 V CA 0.029 62.301 62.300 -0.047 0.000 0.952 2646 V CB 1.341 33.158 31.823 -0.009 0.000 1.019 2646 V HN 1.243 nan 8.190 nan 0.000 0.445 2647 G N -0.157 108.682 108.800 0.065 0.000 2.798 2647 G HA2 0.641 4.601 3.960 -0.000 0.000 0.286 2647 G HA3 0.641 4.601 3.960 -0.000 0.000 0.286 2647 G C -1.508 173.616 174.900 0.374 0.000 1.389 2647 G CA -0.501 44.687 45.100 0.146 0.000 0.894 2647 G HN 1.203 nan 8.290 nan 0.000 0.488 2648 c N 0.052 118.876 118.600 0.374 0.000 2.608 2648 c HA 0.735 5.305 4.570 -0.000 0.000 0.325 2648 c C -1.243 172.979 174.090 0.219 0.000 1.147 2648 c CA -0.706 55.806 56.329 0.305 0.000 1.359 2648 c CB 0.491 43.154 42.510 0.254 0.000 1.912 2648 c HN 0.772 nan 8.230 nan 0.000 0.466 2649 L N 5.775 127.136 121.223 0.229 0.000 2.319 2649 L HA 0.806 5.146 4.340 -0.000 0.000 0.281 2649 L C 0.086 177.100 176.870 0.241 0.000 1.005 2649 L CA 0.124 55.110 54.840 0.244 0.000 0.828 2649 L CB 1.251 43.461 42.059 0.251 0.000 1.227 2649 L HN 0.866 nan 8.230 nan 0.000 0.415 2650 A N 5.661 128.670 122.820 0.315 0.000 2.276 2650 A HA 0.746 5.066 4.320 -0.000 0.000 0.316 2650 A C -0.617 177.150 177.584 0.305 0.000 1.229 2650 A CA -0.417 51.708 52.037 0.146 0.000 0.851 2650 A CB 0.785 19.755 19.000 -0.050 0.000 1.165 2650 A HN 0.791 nan 8.150 nan 0.000 0.513 2651 Q N 0.712 120.647 119.800 0.225 0.000 2.683 2651 Q HA 0.615 4.954 4.340 -0.000 0.000 0.302 2651 Q C -1.011 175.133 176.000 0.241 0.000 1.042 2651 Q CA -0.754 55.232 55.803 0.305 0.000 0.773 2651 Q CB 0.742 29.616 28.738 0.227 0.000 1.508 2651 Q HN 0.392 nan 8.270 nan 0.000 0.459 2652 D N -0.201 120.263 120.400 0.106 0.000 2.708 2652 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 2652 D C -1.259 175.083 176.300 0.070 0.000 1.146 2652 D CA 1.468 55.489 54.000 0.036 0.000 0.662 2652 D CB -1.353 39.472 40.800 0.042 0.000 1.059 2652 D HN 0.449 nan 8.370 nan 0.000 0.428 2653 F N -1.455 118.477 119.950 -0.030 0.000 2.523 2653 F HA 0.819 5.346 4.527 -0.000 0.000 0.329 2653 F C -0.642 175.222 175.800 0.107 0.000 1.061 2653 F CA -1.569 56.369 58.000 -0.102 0.000 0.967 2653 F CB 1.378 40.150 39.000 -0.379 0.000 1.218 2653 F HN -0.113 nan 8.300 nan 0.000 0.480 2654 L N 3.497 124.911 121.223 0.318 0.000 2.592 2654 L HA 0.585 4.925 4.340 -0.000 0.000 0.258 2654 L C -2.794 174.332 176.870 0.427 0.000 0.926 2654 L CA -1.933 53.109 54.840 0.337 0.000 0.885 2654 L CB 2.568 44.748 42.059 0.202 0.000 1.380 2654 L HN 0.502 nan 8.230 nan 0.000 0.415 2655 P HA 0.140 nan 4.420 nan 0.000 0.289 2655 P C -0.928 176.487 177.300 0.193 0.000 1.299 2655 P CA -0.259 62.948 63.100 0.178 0.000 0.766 2655 P CB 0.595 32.327 31.700 0.053 0.000 1.226 2656 D N 0.029 120.296 120.400 -0.222 0.000 2.545 2656 D HA 0.138 4.778 4.640 -0.000 0.000 0.227 2656 D C -0.687 175.620 176.300 0.012 0.000 1.150 2656 D CA 0.426 54.258 54.000 -0.280 0.000 1.046 2656 D CB -1.274 38.962 40.800 -0.939 0.000 1.098 2656 D HN 0.061 nan 8.370 nan 0.000 0.502 2657 S N 3.341 119.149 115.700 0.180 0.000 2.356 2657 S HA 0.308 4.778 4.470 -0.000 0.000 0.171 2657 S C -0.387 174.258 174.600 0.074 0.000 1.399 2657 S CA -0.653 57.576 58.200 0.049 0.000 1.225 2657 S CB 0.385 63.542 63.200 -0.071 0.000 1.271 2657 S HN 0.497 nan 8.310 nan 0.000 0.427 2658 I N 1.658 122.236 120.570 0.014 0.000 2.689 2658 I HA 0.648 4.818 4.170 -0.000 0.000 0.299 2658 I C -1.201 174.836 176.117 -0.133 0.000 1.059 2658 I CA -0.222 60.975 61.300 -0.172 0.000 1.055 2658 I CB 2.204 39.841 38.000 -0.606 0.000 1.243 2658 I HN 0.292 nan 8.210 nan 0.000 0.425 2659 T N 6.542 120.975 114.554 -0.203 0.000 2.906 2659 T HA 0.443 4.793 4.350 -0.000 0.000 0.302 2659 T C -0.672 173.933 174.700 -0.158 0.000 1.002 2659 T CA -0.205 61.846 62.100 -0.082 0.000 0.988 2659 T CB 0.454 69.296 68.868 -0.043 0.000 0.972 2659 T HN 0.218 nan 8.240 nan 0.000 0.447 2660 F N 1.985 121.904 119.950 -0.051 0.000 2.418 2660 F HA 0.563 5.090 4.527 -0.000 0.000 0.341 2660 F C 1.163 176.930 175.800 -0.055 0.000 1.120 2660 F CA 0.109 58.057 58.000 -0.086 0.000 1.232 2660 F CB 1.149 40.160 39.000 0.018 0.000 1.175 2660 F HN 0.414 nan 8.300 nan 0.000 0.569 2661 S N 2.329 118.025 115.700 -0.006 0.000 2.536 2661 S HA 0.616 5.086 4.470 -0.000 0.000 0.271 2661 S C -1.946 172.580 174.600 -0.123 0.000 1.134 2661 S CA -0.575 57.634 58.200 0.016 0.000 0.897 2661 S CB 0.558 63.738 63.200 -0.033 0.000 1.094 2661 S HN 0.504 nan 8.310 nan 0.000 0.473 2662 W N 3.464 124.762 121.300 -0.003 0.000 2.785 2662 W HA 0.623 5.283 4.660 -0.000 0.000 0.333 2662 W C -0.434 176.012 176.519 -0.121 0.000 1.062 2662 W CA -0.631 56.679 57.345 -0.059 0.000 1.233 2662 W CB 1.600 31.002 29.460 -0.098 0.000 1.413 2662 W HN 0.317 nan 8.180 nan 0.000 0.489 2663 K N 3.083 123.552 120.400 0.115 0.000 2.427 2663 K HA 0.389 4.709 4.320 -0.000 0.000 0.252 2663 K C -0.891 175.738 176.600 0.049 0.000 0.931 2663 K CA -1.178 55.138 56.287 0.048 0.000 0.793 2663 K CB 1.920 34.466 32.500 0.076 0.000 1.211 2663 K HN 0.401 nan 8.250 nan 0.000 0.426 2664 Y N 1.278 121.665 120.300 0.146 0.000 2.279 2664 Y HA -0.018 4.532 4.550 -0.000 0.000 0.350 2664 Y C 2.159 178.124 175.900 0.109 0.000 1.288 2664 Y CA 0.154 58.327 58.100 0.122 0.000 1.547 2664 Y CB 0.538 39.041 38.460 0.072 0.000 1.381 2664 Y HN 0.613 nan 8.280 nan 0.000 0.630 2665 K N 0.958 121.510 120.400 0.253 0.000 2.103 2665 K HA -0.217 4.102 4.320 -0.000 0.000 0.207 2665 K C 0.982 177.647 176.600 0.108 0.000 1.048 2665 K CA 1.704 58.061 56.287 0.116 0.000 0.930 2665 K CB -0.248 32.214 32.500 -0.064 0.000 0.716 2665 K HN 0.795 nan 8.250 nan 0.000 0.444 2666 N N 1.088 119.859 118.700 0.118 0.000 2.471 2666 N HA -0.133 4.607 4.740 -0.000 0.000 0.205 2666 N C -0.736 174.838 175.510 0.107 0.000 1.251 2666 N CA 0.573 53.672 53.050 0.083 0.000 0.843 2666 N CB -0.741 37.771 38.487 0.041 0.000 1.044 2666 N HN 0.206 nan 8.380 nan 0.000 0.461 2667 N N 0.087 118.870 118.700 0.139 0.000 2.667 2667 N HA -0.229 4.511 4.740 -0.000 0.000 0.263 2667 N C -1.470 174.121 175.510 0.135 0.000 1.038 2667 N CA 0.923 54.049 53.050 0.126 0.000 0.749 2667 N CB -1.028 37.509 38.487 0.084 0.000 0.892 2667 N HN 0.623 nan 8.380 nan 0.000 0.546 2668 S N -0.426 115.400 115.700 0.210 0.000 2.564 2668 S HA 0.435 4.905 4.470 -0.000 0.000 0.274 2668 S C -0.922 173.838 174.600 0.268 0.000 1.124 2668 S CA -1.242 57.091 58.200 0.221 0.000 0.869 2668 S CB 1.828 65.161 63.200 0.222 0.000 1.105 2668 S HN 0.146 nan 8.310 nan 0.000 0.472 2669 D N 1.275 121.788 120.400 0.187 0.000 2.414 2669 D HA 0.239 4.879 4.640 -0.000 0.000 0.242 2669 D C -0.163 176.213 176.300 0.127 0.000 1.129 2669 D CA 0.416 54.491 54.000 0.126 0.000 0.885 2669 D CB 0.683 41.546 40.800 0.104 0.000 1.198 2669 D HN 0.486 nan 8.370 nan 0.000 0.437 2670 I N 1.578 122.087 120.570 -0.103 0.000 2.353 2670 I HA 0.006 4.176 4.170 -0.000 0.000 0.293 2670 I C 1.396 177.503 176.117 -0.016 0.000 0.992 2670 I CA -0.385 60.766 61.300 -0.248 0.000 1.268 2670 I CB 1.593 39.258 38.000 -0.559 0.000 1.387 2670 I HN 0.245 nan 8.210 nan 0.000 0.478 2671 S N 2.599 118.335 115.700 0.061 0.000 2.371 2671 S HA -0.082 4.388 4.470 -0.000 0.000 0.221 2671 S C 1.123 175.720 174.600 -0.005 0.000 1.036 2671 S CA 0.549 58.776 58.200 0.045 0.000 0.965 2671 S CB -0.051 63.190 63.200 0.068 0.000 0.845 2671 S HN 0.813 nan 8.310 nan 0.000 0.475 2672 S N 3.190 118.873 115.700 -0.028 0.000 3.944 2672 S HA 0.229 4.699 4.470 -0.000 0.000 0.215 2672 S C 0.127 174.628 174.600 -0.164 0.000 1.220 2672 S CA -0.534 57.623 58.200 -0.072 0.000 0.950 2672 S CB -1.092 62.073 63.200 -0.058 0.000 1.615 2672 S HN 0.465 nan 8.310 nan 0.000 0.466 2673 T N -0.395 114.083 114.554 -0.126 0.000 2.863 2673 T HA 0.733 5.083 4.350 -0.000 0.000 0.285 2673 T C -0.660 174.004 174.700 -0.060 0.000 1.009 2673 T CA -1.062 60.939 62.100 -0.164 0.000 0.989 2673 T CB 1.698 70.534 68.868 -0.052 0.000 1.004 2673 T HN 0.345 nan 8.240 nan 0.000 0.455 2674 R N 0.800 121.281 120.500 -0.033 0.000 2.439 2674 R HA 0.689 5.029 4.340 -0.000 0.000 0.310 2674 R C -0.096 176.266 176.300 0.104 0.000 0.955 2674 R CA -0.231 55.888 56.100 0.032 0.000 0.853 2674 R CB 1.638 32.026 30.300 0.147 0.000 1.171 2674 R HN 1.070 nan 8.270 nan 0.000 0.449 2675 G N 3.355 112.161 108.800 0.010 0.000 2.368 2675 G HA2 0.534 4.494 3.960 -0.000 0.000 0.320 2675 G HA3 0.534 4.494 3.960 -0.000 0.000 0.320 2675 G C -1.231 173.655 174.900 -0.023 0.000 1.158 2675 G CA -0.229 44.905 45.100 0.056 0.000 0.912 2675 G HN 0.340 nan 8.290 nan 0.000 0.456 2676 F N 1.514 121.445 119.950 -0.032 0.000 2.458 2676 F HA 0.491 5.018 4.527 -0.000 0.000 0.330 2676 F C -1.713 174.136 175.800 0.081 0.000 1.082 2676 F CA -2.204 55.808 58.000 0.019 0.000 0.995 2676 F CB 1.836 40.840 39.000 0.007 0.000 1.170 2676 F HN 0.248 nan 8.300 nan 0.000 0.478 2677 P HA 0.116 nan 4.420 nan 0.000 0.268 2677 P C -0.909 176.549 177.300 0.263 0.000 1.208 2677 P CA -0.133 63.088 63.100 0.202 0.000 0.777 2677 P CB 0.470 32.257 31.700 0.145 0.000 0.875 2678 S N 0.475 116.341 115.700 0.277 0.000 2.548 2678 S HA 0.328 4.798 4.470 -0.000 0.000 0.277 2678 S C 0.182 174.963 174.600 0.301 0.000 1.315 2678 S CA -0.742 57.666 58.200 0.345 0.000 1.050 2678 S CB 0.308 63.753 63.200 0.407 0.000 0.918 2678 S HN 0.360 nan 8.310 nan 0.000 0.497 2679 V N 1.733 121.793 119.914 0.243 0.000 2.612 2679 V HA 0.618 4.737 4.120 -0.000 0.000 0.301 2679 V C -0.293 175.825 176.094 0.040 0.000 1.046 2679 V CA -1.143 61.243 62.300 0.144 0.000 0.946 2679 V CB 1.115 32.993 31.823 0.092 0.000 1.003 2679 V HN 0.663 nan 8.190 nan 0.000 0.459 2680 L N 4.611 125.790 121.223 -0.074 0.000 2.312 2680 L HA 0.499 4.839 4.340 -0.000 0.000 0.287 2680 L C 0.375 177.106 176.870 -0.232 0.000 1.091 2680 L CA 0.096 54.728 54.840 -0.347 0.000 0.846 2680 L CB 0.071 41.922 42.059 -0.347 0.000 1.219 2680 L HN 0.755 nan 8.230 nan 0.000 0.439 2681 R N 4.803 125.160 120.500 -0.238 0.000 2.565 2681 R HA 0.347 4.687 4.340 -0.000 0.000 0.286 2681 R C 0.184 176.390 176.300 -0.156 0.000 1.256 2681 R CA 0.188 56.203 56.100 -0.141 0.000 1.238 2681 R CB -0.228 30.021 30.300 -0.085 0.000 1.153 2681 R HN 0.882 nan 8.270 nan 0.000 0.553 2682 G N 2.009 110.725 108.800 -0.140 0.000 2.296 2682 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.263 2682 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.263 2682 G C 0.954 175.770 174.900 -0.141 0.000 0.887 2682 G CA 0.835 45.865 45.100 -0.117 0.000 1.318 2682 G HN 1.005 nan 8.290 nan 0.000 0.403 2683 G N 0.654 109.345 108.800 -0.182 0.000 2.458 2683 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.237 2683 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.237 2683 G C 0.713 175.466 174.900 -0.245 0.000 1.113 2683 G CA 1.394 46.392 45.100 -0.170 0.000 0.655 2683 G HN 1.067 nan 8.290 nan 0.000 0.513 2684 K N -0.130 120.103 120.400 -0.279 0.000 2.185 2684 K HA 0.699 5.019 4.320 -0.000 0.000 0.240 2684 K C -0.697 175.575 176.600 -0.548 0.000 0.983 2684 K CA -0.719 55.386 56.287 -0.304 0.000 0.873 2684 K CB 1.230 33.630 32.500 -0.166 0.000 1.118 2684 K HN 0.256 nan 8.250 nan 0.000 0.441 2685 Y N -0.585 119.374 120.300 -0.569 0.000 2.488 2685 Y HA 0.567 5.117 4.550 -0.000 0.000 0.325 2685 Y C 0.123 175.520 175.900 -0.838 0.000 1.204 2685 Y CA -0.785 56.865 58.100 -0.750 0.000 1.229 2685 Y CB 1.994 39.863 38.460 -0.984 0.000 1.274 2685 Y HN 0.603 nan 8.280 nan 0.000 0.493 2686 A N 0.896 123.638 122.820 -0.129 0.000 2.455 2686 A HA 0.921 5.241 4.320 -0.000 0.000 0.300 2686 A C -1.512 176.341 177.584 0.448 0.000 1.040 2686 A CA -0.348 51.840 52.037 0.251 0.000 0.697 2686 A CB 1.108 20.196 19.000 0.147 0.000 1.265 2686 A HN 0.916 nan 8.150 nan 0.000 0.407 2687 A N 0.906 124.088 122.820 0.604 0.000 2.556 2687 A HA 0.928 5.248 4.320 -0.000 0.000 0.294 2687 A C -0.362 177.432 177.584 0.350 0.000 1.091 2687 A CA -0.479 51.857 52.037 0.499 0.000 0.704 2687 A CB 1.480 20.877 19.000 0.662 0.000 1.300 2687 A HN 0.951 nan 8.150 nan 0.000 0.406 2688 T N 0.681 115.305 114.554 0.118 0.000 2.908 2688 T HA 0.757 5.107 4.350 -0.000 0.000 0.290 2688 T C -0.356 174.103 174.700 -0.402 0.000 1.034 2688 T CA -0.438 61.586 62.100 -0.125 0.000 1.010 2688 T CB 1.589 70.333 68.868 -0.207 0.000 1.068 2688 T HN 0.847 nan 8.240 nan 0.000 0.481 2689 S N 1.033 116.462 115.700 -0.452 0.000 2.564 2689 S HA 0.645 5.115 4.470 -0.000 0.000 0.274 2689 S C -1.880 172.733 174.600 0.020 0.000 1.124 2689 S CA -0.685 57.330 58.200 -0.309 0.000 0.869 2689 S CB 1.695 64.499 63.200 -0.660 0.000 1.105 2689 S HN 0.749 nan 8.310 nan 0.000 0.472 2690 Q N 2.785 122.580 119.800 -0.009 0.000 2.345 2690 Q HA 0.667 5.007 4.340 -0.000 0.000 0.275 2690 Q C -2.134 173.625 176.000 -0.403 0.000 1.063 2690 Q CA -0.656 55.051 55.803 -0.161 0.000 0.819 2690 Q CB 2.040 30.746 28.738 -0.054 0.000 1.356 2690 Q HN 0.528 nan 8.270 nan 0.000 0.418 2691 V N 4.316 123.875 119.914 -0.592 0.000 2.604 2691 V HA 0.471 4.591 4.120 -0.000 0.000 0.305 2691 V C -0.548 175.356 176.094 -0.317 0.000 1.043 2691 V CA -0.711 61.223 62.300 -0.610 0.000 0.888 2691 V CB 1.842 33.054 31.823 -1.020 0.000 0.995 2691 V HN 0.723 nan 8.190 nan 0.000 0.429 2692 L N 5.942 127.041 121.223 -0.206 0.000 2.277 2692 L HA 0.555 4.895 4.340 -0.000 0.000 0.284 2692 L C -0.668 176.161 176.870 -0.068 0.000 1.028 2692 L CA -0.149 54.625 54.840 -0.109 0.000 0.835 2692 L CB 0.900 42.917 42.059 -0.070 0.000 1.215 2692 L HN 0.376 nan 8.230 nan 0.000 0.425 2693 L N 5.462 126.658 121.223 -0.045 0.000 2.317 2693 L HA 0.482 4.822 4.340 -0.000 0.000 0.281 2693 L C -1.982 174.892 176.870 0.008 0.000 1.024 2693 L CA -1.999 52.845 54.840 0.008 0.000 0.810 2693 L CB 2.000 44.082 42.059 0.038 0.000 1.240 2693 L HN 0.325 nan 8.230 nan 0.000 0.427 2694 P HA 0.014 nan 4.420 nan 0.000 0.259 2694 P C 0.243 177.546 177.300 0.005 0.000 1.211 2694 P CA 0.116 63.220 63.100 0.006 0.000 0.810 2694 P CB 0.742 32.445 31.700 0.005 0.000 0.815 2695 S N 2.632 118.333 115.700 0.002 0.000 2.442 2695 S HA -0.146 4.324 4.470 -0.000 0.000 0.236 2695 S C 1.171 175.771 174.600 0.001 0.000 1.007 2695 S CA 0.719 58.920 58.200 0.002 0.000 0.965 2695 S CB -0.432 62.768 63.200 0.000 0.000 0.773 2695 S HN 0.511 nan 8.310 nan 0.000 0.504 2696 K N 2.191 122.591 120.400 -0.001 0.000 1.871 2696 K HA -0.129 4.191 4.320 -0.000 0.000 0.214 2696 K C -0.228 176.370 176.600 -0.004 0.000 1.145 2696 K CA 0.524 56.810 56.287 -0.003 0.000 1.263 2696 K CB -0.780 31.718 32.500 -0.004 0.000 1.075 2696 K HN 0.216 nan 8.250 nan 0.000 0.261 2697 D N -0.161 120.238 120.400 -0.003 0.000 3.475 2697 D HA -0.254 4.386 4.640 -0.000 0.000 0.191 2697 D C 0.826 177.123 176.300 -0.004 0.000 1.523 2697 D CA 2.037 56.035 54.000 -0.003 0.000 2.228 2697 D CB -0.887 39.909 40.800 -0.006 0.000 1.310 2697 D HN 0.505 nan 8.370 nan 0.000 0.413 2698 V N -0.631 119.279 119.914 -0.006 0.000 3.513 2698 V HA 0.547 4.667 4.120 -0.000 0.000 0.311 2698 V C 1.995 178.091 176.094 0.003 0.000 1.218 2698 V CA 1.239 63.534 62.300 -0.008 0.000 1.266 2698 V CB -0.183 31.629 31.823 -0.019 0.000 1.074 2698 V HN 0.380 nan 8.190 nan 0.000 0.421 2699 A N -0.533 122.291 122.820 0.007 0.000 2.067 2699 A HA -0.001 4.318 4.320 -0.000 0.000 0.219 2699 A C 1.967 179.565 177.584 0.024 0.000 1.158 2699 A CA 1.934 53.980 52.037 0.016 0.000 0.661 2699 A CB -0.013 18.994 19.000 0.012 0.000 0.801 2699 A HN 0.741 nan 8.150 nan 0.000 0.452 2700 Q N -4.997 114.813 119.800 0.017 0.000 1.562 2700 Q HA 0.351 4.690 4.340 -0.000 0.000 0.144 2700 Q C 1.274 177.277 176.000 0.005 0.000 0.455 2700 Q CA 0.957 56.771 55.803 0.019 0.000 0.775 2700 Q CB -0.637 28.114 28.738 0.022 0.000 0.814 2700 Q HN 0.881 nan 8.270 nan 0.000 0.180 2701 G N 0.310 109.111 108.800 0.002 0.000 3.729 2701 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.327 2701 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.327 2701 G C 0.950 175.844 174.900 -0.009 0.000 1.293 2701 G CA 2.404 47.501 45.100 -0.005 0.000 1.011 2701 G HN 0.720 nan 8.290 nan 0.000 0.673 2702 T N -1.092 113.452 114.554 -0.016 0.000 3.033 2702 T HA 0.202 4.552 4.350 -0.000 0.000 0.248 2702 T C 1.019 175.695 174.700 -0.040 0.000 1.040 2702 T CA 0.845 62.931 62.100 -0.025 0.000 1.133 2702 T CB -0.010 68.843 68.868 -0.026 0.000 0.895 2702 T HN 0.451 nan 8.240 nan 0.000 0.465 2703 N N 2.816 121.496 118.700 -0.033 0.000 2.434 2703 N HA 0.110 4.850 4.740 -0.000 0.000 0.273 2703 N C 0.404 175.881 175.510 -0.055 0.000 1.210 2703 N CA 0.124 53.146 53.050 -0.047 0.000 0.992 2703 N CB 0.819 39.316 38.487 0.016 0.000 1.355 2703 N HN 0.569 nan 8.380 nan 0.000 0.495 2704 E N 0.972 121.095 120.200 -0.129 0.000 2.478 2704 E HA -0.072 4.277 4.350 -0.000 0.000 0.198 2704 E C 0.284 176.896 176.600 0.020 0.000 1.046 2704 E CA 0.750 57.111 56.400 -0.065 0.000 0.870 2704 E CB 0.091 29.759 29.700 -0.053 0.000 0.818 2704 E HN 0.697 nan 8.360 nan 0.000 0.527 2705 H N -3.599 115.521 119.070 0.084 0.000 2.894 2705 H HA 0.368 4.924 4.556 -0.000 0.000 0.282 2705 H C -1.019 174.388 175.328 0.131 0.000 1.448 2705 H CA -1.022 55.087 56.048 0.101 0.000 1.158 2705 H CB 0.611 30.425 29.762 0.088 0.000 1.818 2705 H HN -0.102 nan 8.280 nan 0.000 0.493 2706 V N -0.916 119.255 119.914 0.429 0.000 3.126 2706 V HA 0.784 4.904 4.120 -0.000 0.000 0.314 2706 V C -0.569 175.722 176.094 0.328 0.000 1.138 2706 V CA -0.943 61.576 62.300 0.365 0.000 1.034 2706 V CB 1.610 33.617 31.823 0.307 0.000 1.075 2706 V HN 0.577 nan 8.190 nan 0.000 0.442 2707 V N 0.907 120.966 119.914 0.242 0.000 2.448 2707 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 2707 V C -0.036 175.971 176.094 -0.145 0.000 1.025 2707 V CA -0.333 61.998 62.300 0.051 0.000 0.859 2707 V CB 1.311 33.149 31.823 0.025 0.000 0.988 2707 V HN 1.252 nan 8.190 nan 0.000 0.431 2708 c N 6.494 124.830 118.600 -0.439 0.000 2.273 2708 c HA 0.663 5.233 4.570 -0.000 0.000 0.328 2708 c C -0.061 173.706 174.090 -0.538 0.000 1.275 2708 c CA -0.600 55.146 56.329 -0.972 0.000 1.704 2708 c CB -0.559 41.284 42.510 -1.112 0.000 2.326 2708 c HN 0.983 nan 8.230 nan 0.000 0.517 2709 K N 4.476 124.581 120.400 -0.492 0.000 2.259 2709 K HA 0.751 5.071 4.320 -0.000 0.000 0.249 2709 K C -0.873 175.491 176.600 -0.394 0.000 0.942 2709 K CA -0.656 55.429 56.287 -0.337 0.000 0.816 2709 K CB 2.167 34.535 32.500 -0.219 0.000 1.155 2709 K HN 0.682 nan 8.250 nan 0.000 0.428 2710 V N -0.599 119.072 119.914 -0.405 0.000 2.686 2710 V HA 0.442 4.562 4.120 -0.000 0.000 0.306 2710 V C -1.083 174.808 176.094 -0.338 0.000 1.065 2710 V CA -0.993 60.991 62.300 -0.527 0.000 0.894 2710 V CB 1.720 33.063 31.823 -0.799 0.000 1.004 2710 V HN 0.631 nan 8.190 nan 0.000 0.424 2711 Q N 2.220 121.853 119.800 -0.278 0.000 2.235 2711 Q HA 0.731 5.071 4.340 -0.000 0.000 0.250 2711 Q C -0.904 175.033 176.000 -0.106 0.000 0.909 2711 Q CA 0.177 55.884 55.803 -0.160 0.000 0.910 2711 Q CB 1.235 29.901 28.738 -0.120 0.000 1.223 2711 Q HN 1.066 nan 8.270 nan 0.000 0.432 2712 H N 1.415 120.376 119.070 -0.182 0.000 3.140 2712 H HA 0.252 4.808 4.556 -0.000 0.000 0.336 2712 H C -2.330 172.943 175.328 -0.092 0.000 1.142 2712 H CA -1.347 54.609 56.048 -0.153 0.000 1.308 2712 H CB 1.663 31.310 29.762 -0.191 0.000 1.970 2712 H HN 0.408 nan 8.280 nan 0.000 0.521 2713 P HA -0.109 nan 4.420 nan 0.000 0.216 2713 P C 0.122 177.348 177.300 -0.122 0.000 1.150 2713 P CA 1.450 64.397 63.100 -0.256 0.000 0.843 2713 P CB 0.244 31.761 31.700 -0.305 0.000 0.787 2714 N N -1.242 117.435 118.700 -0.037 0.000 2.370 2714 N HA 0.314 5.054 4.740 -0.000 0.000 0.198 2714 N C 0.151 175.724 175.510 0.105 0.000 1.156 2714 N CA 0.502 53.618 53.050 0.110 0.000 0.839 2714 N CB 0.224 38.844 38.487 0.221 0.000 0.989 2714 N HN 0.075 nan 8.380 nan 0.000 0.468 2715 G N 0.107 108.951 108.800 0.074 0.000 2.542 2715 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.391 2715 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.391 2715 G C -1.657 173.233 174.900 -0.017 0.000 1.551 2715 G CA -1.048 44.061 45.100 0.015 0.000 0.946 2715 G HN -0.012 nan 8.290 nan 0.000 0.662 2716 N N 1.339 120.007 118.700 -0.054 0.000 2.499 2716 N HA 0.586 5.326 4.740 -0.000 0.000 0.281 2716 N C 0.089 175.526 175.510 -0.121 0.000 1.098 2716 N CA 0.089 53.080 53.050 -0.098 0.000 0.979 2716 N CB 1.732 40.165 38.487 -0.091 0.000 1.121 2716 N HN 0.620 nan 8.380 nan 0.000 0.466 2717 K N 0.738 121.033 120.400 -0.174 0.000 2.480 2717 K HA 0.443 4.763 4.320 -0.000 0.000 0.258 2717 K C -0.629 175.847 176.600 -0.207 0.000 0.990 2717 K CA -0.808 55.373 56.287 -0.177 0.000 0.857 2717 K CB 2.401 34.784 32.500 -0.195 0.000 1.384 2717 K HN 0.640 nan 8.250 nan 0.000 0.446 2718 E N 0.901 120.993 120.200 -0.180 0.000 2.429 2718 E HA 0.618 4.968 4.350 -0.000 0.000 0.276 2718 E C -1.461 175.038 176.600 -0.168 0.000 0.953 2718 E CA -1.155 55.130 56.400 -0.191 0.000 0.787 2718 E CB 2.517 32.121 29.700 -0.160 0.000 1.307 2718 E HN 0.246 nan 8.360 nan 0.000 0.458 2719 K N 0.468 120.763 120.400 -0.176 0.000 2.556 2719 K HA 0.350 4.670 4.320 -0.000 0.000 0.274 2719 K C -2.184 174.334 176.600 -0.136 0.000 0.966 2719 K CA -0.463 55.742 56.287 -0.137 0.000 0.865 2719 K CB 2.083 34.516 32.500 -0.112 0.000 1.444 2719 K HN 0.558 nan 8.250 nan 0.000 0.433 2720 D N 0.880 121.196 120.400 -0.140 0.000 2.198 2720 D HA 0.366 5.006 4.640 -0.000 0.000 0.245 2720 D C -1.000 175.264 176.300 -0.059 0.000 1.079 2720 D CA -0.384 53.496 54.000 -0.200 0.000 0.854 2720 D CB 1.554 42.057 40.800 -0.495 0.000 1.148 2720 D HN 0.127 nan 8.370 nan 0.000 0.456 2721 V N 4.478 124.436 119.914 0.073 0.000 2.328 2721 V HA 0.332 4.452 4.120 -0.000 0.000 0.278 2721 V C -2.151 174.058 176.094 0.192 0.000 1.021 2721 V CA -1.847 60.553 62.300 0.168 0.000 0.838 2721 V CB 1.235 33.253 31.823 0.326 0.000 0.999 2721 V HN 0.445 nan 8.190 nan 0.000 0.447 2722 P HA 0.230 nan 4.420 nan 0.000 0.269 2722 P C -0.332 177.050 177.300 0.138 0.000 1.209 2722 P CA 0.106 63.305 63.100 0.164 0.000 0.776 2722 P CB 0.720 32.487 31.700 0.112 0.000 0.876 2723 L N 0.000 121.300 121.223 0.128 0.000 2.949 2723 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2723 L CA 0.000 54.893 54.840 0.088 0.000 0.813 2723 L CB 0.000 42.109 42.059 0.084 0.000 0.961 2723 L HN 0.000 nan 8.230 nan 0.000 0.502