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 3izk_1_F DATA FIRST_RESID 2456 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 2456 V HA 0.000 nan 4.120 nan 0.000 0.244 2456 V C 0.000 176.088 176.094 -0.010 0.000 1.182 2456 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 2456 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 2457 L N 1.837 123.053 121.223 -0.012 0.000 2.352 2457 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 2457 L C -2.290 174.575 176.870 -0.009 0.000 1.034 2457 L CA -1.672 53.162 54.840 -0.010 0.000 0.806 2457 L CB 0.683 42.735 42.059 -0.012 0.000 1.244 2457 L HN 0.140 nan 8.230 nan 0.000 0.447 2458 P HA 0.011 nan 4.420 nan 0.000 0.265 2458 P C -0.657 176.641 177.300 -0.004 0.000 1.193 2458 P CA -0.259 62.839 63.100 -0.003 0.000 0.765 2458 P CB 0.394 32.094 31.700 -0.001 0.000 0.823 2459 E N 2.897 123.094 120.200 -0.004 0.000 2.480 2459 E HA -0.051 4.298 4.350 -0.001 0.000 0.258 2459 E C 0.689 177.288 176.600 -0.001 0.000 0.984 2459 E CA 0.952 57.349 56.400 -0.005 0.000 0.930 2459 E CB -0.322 29.375 29.700 -0.005 0.000 0.936 2459 E HN 0.533 nan 8.360 nan 0.000 0.466 2460 N N 2.104 120.803 118.700 -0.000 0.000 2.879 2460 N HA -0.188 4.551 4.740 -0.001 0.000 0.156 2460 N C -0.658 174.861 175.510 0.014 0.000 1.554 2460 N CA 0.888 53.943 53.050 0.007 0.000 2.252 2460 N CB -1.205 37.288 38.487 0.010 0.000 1.232 2460 N HN 0.542 nan 8.380 nan 0.000 0.861 2461 M N 1.662 121.268 119.600 0.009 0.000 2.249 2461 M HA 0.319 4.798 4.480 -0.001 0.000 0.351 2461 M C -0.763 175.539 176.300 0.004 0.000 1.180 2461 M CA -0.095 55.215 55.300 0.017 0.000 1.127 2461 M CB 0.596 33.202 32.600 0.010 0.000 1.546 2461 M HN -0.046 nan 8.290 nan 0.000 0.461 2462 K N 4.162 124.577 120.400 0.024 0.000 2.267 2462 K HA 0.613 4.933 4.320 -0.001 0.000 0.246 2462 K C -1.005 175.571 176.600 -0.040 0.000 0.954 2462 K CA -0.758 55.505 56.287 -0.039 0.000 0.824 2462 K CB 1.851 34.341 32.500 -0.017 0.000 1.167 2462 K HN 0.674 nan 8.250 nan 0.000 0.431 2463 R N 1.574 121.950 120.500 -0.206 0.000 2.686 2463 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 2463 R C -0.905 175.167 176.300 -0.380 0.000 0.969 2463 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 2463 R CB 1.274 31.533 30.300 -0.067 0.000 1.183 2463 R HN 0.558 nan 8.270 nan 0.000 0.456 2464 Y N 2.424 122.740 120.300 0.026 0.000 2.536 2464 Y HA 0.578 5.127 4.550 -0.000 0.000 0.347 2464 Y C 0.582 176.495 175.900 0.022 0.000 1.000 2464 Y CA -0.982 57.133 58.100 0.026 0.000 1.051 2464 Y CB 1.975 40.459 38.460 0.040 0.000 1.259 2464 Y HN 0.361 nan 8.280 nan 0.000 0.468 2465 M N 0.822 120.517 119.600 0.159 0.000 2.520 2465 M HA 0.784 5.264 4.480 -0.001 0.000 0.280 2465 M C 0.027 176.370 176.300 0.073 0.000 1.232 2465 M CA -0.240 55.113 55.300 0.089 0.000 0.892 2465 M CB 1.277 33.903 32.600 0.044 0.000 1.728 2465 M HN 0.891 nan 8.290 nan 0.000 0.475 2466 G N 2.732 111.563 108.800 0.050 0.000 2.561 2466 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 2466 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 2466 G C 0.672 175.591 174.900 0.031 0.000 1.169 2466 G CA 0.528 45.647 45.100 0.032 0.000 0.980 2466 G HN 0.841 nan 8.290 nan 0.000 0.550 2467 R N 1.082 121.596 120.500 0.023 0.000 2.152 2467 R HA -0.022 4.317 4.340 -0.001 0.000 0.232 2467 R C 2.102 178.421 176.300 0.032 0.000 1.117 2467 R CA 1.784 57.894 56.100 0.015 0.000 0.981 2467 R CB -0.794 29.510 30.300 0.007 0.000 0.870 2467 R HN 0.611 nan 8.270 nan 0.000 0.451 2468 D N 0.495 120.937 120.400 0.071 0.000 2.224 2468 D HA -0.032 4.607 4.640 -0.001 0.000 0.205 2468 D C 1.692 178.057 176.300 0.109 0.000 0.965 2468 D CA 1.158 55.233 54.000 0.125 0.000 0.852 2468 D CB -0.035 40.909 40.800 0.240 0.000 0.947 2468 D HN 0.169 nan 8.370 nan 0.000 0.494 2469 A N 0.657 123.541 122.820 0.108 0.000 1.929 2469 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 2469 A C 2.092 179.694 177.584 0.030 0.000 1.176 2469 A CA 0.991 53.084 52.037 0.094 0.000 0.628 2469 A CB -0.205 18.850 19.000 0.092 0.000 0.816 2469 A HN 0.036 nan 8.150 nan 0.000 0.444 2470 Q N -0.444 119.363 119.800 0.012 0.000 2.016 2470 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 2470 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 2470 Q CA 1.893 57.688 55.803 -0.012 0.000 0.833 2470 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 2470 Q HN 0.631 nan 8.270 nan 0.000 0.427 2471 R N 0.916 121.386 120.500 -0.051 0.000 2.075 2471 R HA -0.032 4.308 4.340 -0.001 0.000 0.232 2471 R C 2.184 178.387 176.300 -0.161 0.000 1.126 2471 R CA 1.525 57.574 56.100 -0.085 0.000 0.963 2471 R CB -0.618 29.643 30.300 -0.065 0.000 0.858 2471 R HN 0.306 nan 8.270 nan 0.000 0.435 2472 M N 0.295 119.759 119.600 -0.227 0.000 2.082 2472 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 2472 M C 1.019 177.151 176.300 -0.280 0.000 1.069 2472 M CA 2.104 57.189 55.300 -0.359 0.000 1.102 2472 M CB -0.264 32.099 32.600 -0.395 0.000 1.336 2472 M HN 0.178 nan 8.290 nan 0.000 0.404 2473 N N 0.753 119.354 118.700 -0.165 0.000 2.188 2473 N HA -0.101 4.639 4.740 -0.001 0.000 0.184 2473 N C 1.655 177.072 175.510 -0.155 0.000 1.018 2473 N CA 1.362 54.317 53.050 -0.159 0.000 0.858 2473 N CB -0.427 38.040 38.487 -0.032 0.000 0.989 2473 N HN 0.395 nan 8.380 nan 0.000 0.426 2474 I N 0.549 121.050 120.570 -0.115 0.000 2.315 2474 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 2474 I C 1.849 177.898 176.117 -0.114 0.000 1.117 2474 I CA 0.684 61.931 61.300 -0.089 0.000 1.404 2474 I CB -0.830 37.134 38.000 -0.061 0.000 1.071 2474 I HN 0.053 nan 8.210 nan 0.000 0.419 2475 L N 0.998 122.131 121.223 -0.151 0.000 2.093 2475 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 2475 L C 2.722 179.489 176.870 -0.173 0.000 1.085 2475 L CA 1.811 56.560 54.840 -0.153 0.000 0.755 2475 L CB -1.339 40.614 42.059 -0.178 0.000 0.904 2475 L HN 0.168 nan 8.230 nan 0.000 0.435 2476 A N -0.549 122.114 122.820 -0.261 0.000 1.902 2476 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 2476 A C 2.405 179.887 177.584 -0.170 0.000 1.181 2476 A CA 1.700 53.561 52.037 -0.294 0.000 0.623 2476 A CB -1.279 17.355 19.000 -0.610 0.000 0.818 2476 A HN 0.432 nan 8.150 nan 0.000 0.443 2477 G N -0.718 107.997 108.800 -0.141 0.000 2.422 2477 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 2477 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 2477 G C 1.672 176.530 174.900 -0.069 0.000 1.140 2477 G CA 1.138 46.188 45.100 -0.083 0.000 0.775 2477 G HN 0.520 nan 8.290 nan 0.000 0.545 2478 R N 0.636 121.090 120.500 -0.078 0.000 2.092 2478 R HA 0.109 4.448 4.340 -0.001 0.000 0.231 2478 R C 2.399 178.665 176.300 -0.058 0.000 1.119 2478 R CA 0.986 57.048 56.100 -0.064 0.000 0.970 2478 R CB -0.648 29.613 30.300 -0.065 0.000 0.864 2478 R HN 0.427 nan 8.270 nan 0.000 0.440 2479 I N 0.101 120.631 120.570 -0.066 0.000 2.127 2479 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 2479 I C 1.775 177.867 176.117 -0.041 0.000 1.075 2479 I CA 1.063 62.332 61.300 -0.052 0.000 1.334 2479 I CB -0.282 37.684 38.000 -0.056 0.000 1.040 2479 I HN 0.141 nan 8.210 nan 0.000 0.405 2480 I N 0.899 121.444 120.570 -0.042 0.000 2.233 2480 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 2480 I C 2.873 178.971 176.117 -0.032 0.000 1.093 2480 I CA 1.597 62.879 61.300 -0.031 0.000 1.380 2480 I CB -1.614 36.370 38.000 -0.027 0.000 1.067 2480 I HN 0.167 nan 8.210 nan 0.000 0.413 2481 A N 0.443 123.241 122.820 -0.038 0.000 1.940 2481 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 2481 A C 2.281 179.843 177.584 -0.038 0.000 1.176 2481 A CA 2.096 54.110 52.037 -0.038 0.000 0.631 2481 A CB -0.573 18.401 19.000 -0.043 0.000 0.814 2481 A HN 0.407 nan 8.150 nan 0.000 0.446 2482 E N -0.493 119.685 120.200 -0.038 0.000 2.107 2482 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 2482 E C 2.014 178.595 176.600 -0.031 0.000 0.982 2482 E CA 1.778 58.157 56.400 -0.035 0.000 0.809 2482 E CB -0.513 29.166 29.700 -0.035 0.000 0.756 2482 E HN 0.505 nan 8.360 nan 0.000 0.459 2483 T N 0.112 114.649 114.554 -0.029 0.000 2.746 2483 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 2483 T C 1.880 176.565 174.700 -0.025 0.000 1.039 2483 T CA 1.792 63.877 62.100 -0.025 0.000 1.142 2483 T CB -0.321 68.534 68.868 -0.022 0.000 0.866 2483 T HN 0.267 nan 8.240 nan 0.000 0.444 2484 V N 1.865 121.764 119.914 -0.026 0.000 2.649 2484 V HA 0.014 4.133 4.120 -0.001 0.000 0.248 2484 V C 2.347 178.423 176.094 -0.030 0.000 1.054 2484 V CA 1.309 63.593 62.300 -0.026 0.000 1.073 2484 V CB -0.891 30.918 31.823 -0.025 0.000 0.699 2484 V HN 0.480 nan 8.190 nan 0.000 0.463 2485 R N 2.695 123.175 120.500 -0.033 0.000 2.241 2485 R HA -0.062 4.278 4.340 -0.001 0.000 0.224 2485 R C 2.015 178.292 176.300 -0.037 0.000 1.101 2485 R CA 1.591 57.669 56.100 -0.038 0.000 0.995 2485 R CB -0.984 29.291 30.300 -0.041 0.000 0.870 2485 R HN 0.690 nan 8.270 nan 0.000 0.463 2486 S N 0.032 115.712 115.700 -0.033 0.000 2.522 2486 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 2486 S C 1.693 176.273 174.600 -0.033 0.000 0.986 2486 S CA 0.684 58.864 58.200 -0.033 0.000 0.929 2486 S CB 0.078 63.261 63.200 -0.029 0.000 0.769 2486 S HN 0.551 nan 8.310 nan 0.000 0.529 2487 T N -0.942 113.594 114.554 -0.031 0.000 3.069 2487 T HA 0.353 4.702 4.350 -0.001 0.000 0.252 2487 T C 0.324 175.004 174.700 -0.033 0.000 1.053 2487 T CA -0.521 61.561 62.100 -0.029 0.000 0.964 2487 T CB -0.437 68.418 68.868 -0.023 0.000 1.005 2487 T HN 0.258 nan 8.240 nan 0.000 0.532 2488 L N 2.926 124.126 121.223 -0.038 0.000 2.462 2488 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 2488 L C 0.703 177.541 176.870 -0.052 0.000 1.166 2488 L CA 1.608 56.423 54.840 -0.041 0.000 0.880 2488 L CB -0.749 41.283 42.059 -0.044 0.000 1.142 2488 L HN 0.697 nan 8.230 nan 0.000 0.473 2489 G N 4.398 113.169 108.800 -0.048 0.000 2.663 2489 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.686 2489 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.686 2489 G C -2.067 172.787 174.900 -0.075 0.000 1.288 2489 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 2489 G HN 0.552 nan 8.290 nan 0.000 0.584 2490 P HA 0.004 nan 4.420 nan 0.000 0.222 2490 P C 1.121 178.328 177.300 -0.155 0.000 1.147 2490 P CA 1.228 64.266 63.100 -0.103 0.000 0.790 2490 P CB 0.112 31.726 31.700 -0.145 0.000 0.780 2491 K N -0.209 120.063 120.400 -0.214 0.000 2.372 2491 K HA 0.272 4.592 4.320 -0.001 0.000 0.200 2491 K C 1.171 177.711 176.600 -0.100 0.000 1.022 2491 K CA -0.140 56.047 56.287 -0.167 0.000 1.125 2491 K CB -0.110 32.263 32.500 -0.212 0.000 0.855 2491 K HN 0.067 nan 8.250 nan 0.000 0.524 2492 G N 0.226 108.977 108.800 -0.082 0.000 2.616 2492 G HA2 0.246 4.205 3.960 -0.001 0.000 0.268 2492 G HA3 0.246 4.205 3.960 -0.001 0.000 0.268 2492 G C 0.018 174.893 174.900 -0.041 0.000 1.213 2492 G CA -0.514 44.552 45.100 -0.057 0.000 0.926 2492 G HN -0.069 nan 8.290 nan 0.000 0.523 2493 M N -0.044 119.536 119.600 -0.034 0.000 2.531 2493 M HA 0.401 4.880 4.480 -0.001 0.000 0.262 2493 M C -0.230 176.057 176.300 -0.021 0.000 1.168 2493 M CA -0.676 54.608 55.300 -0.026 0.000 0.926 2493 M CB 1.113 33.699 32.600 -0.025 0.000 1.445 2493 M HN 0.726 nan 8.290 nan 0.000 0.531 2494 D N -0.592 119.797 120.400 -0.018 0.000 2.493 2494 D HA 0.562 5.202 4.640 -0.001 0.000 0.239 2494 D C -1.301 174.989 176.300 -0.017 0.000 1.049 2494 D CA -0.763 53.228 54.000 -0.016 0.000 1.008 2494 D CB 1.271 42.063 40.800 -0.013 0.000 1.398 2494 D HN 0.116 nan 8.370 nan 0.000 0.513 2495 K N 0.344 120.735 120.400 -0.016 0.000 2.259 2495 K HA 0.397 4.716 4.320 -0.001 0.000 0.252 2495 K C -0.949 175.640 176.600 -0.017 0.000 0.936 2495 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 2495 K CB 1.970 34.461 32.500 -0.014 0.000 1.143 2495 K HN 0.677 nan 8.250 nan 0.000 0.427 2496 M N 4.059 123.648 119.600 -0.019 0.000 2.047 2496 M HA 0.253 4.733 4.480 -0.001 0.000 0.342 2496 M C -1.493 174.797 176.300 -0.017 0.000 1.058 2496 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 2496 M CB 0.366 32.950 32.600 -0.026 0.000 1.474 2496 M HN 0.347 nan 8.290 nan 0.000 0.419 2497 L N 6.058 127.272 121.223 -0.016 0.000 2.272 2497 L HA 0.521 4.861 4.340 -0.001 0.000 0.289 2497 L C -0.797 176.066 176.870 -0.011 0.000 1.032 2497 L CA -0.253 54.581 54.840 -0.011 0.000 0.810 2497 L CB 1.668 43.722 42.059 -0.008 0.000 1.205 2497 L HN 0.414 nan 8.230 nan 0.000 0.422 2498 V N 2.816 122.724 119.914 -0.009 0.000 2.407 2498 V HA 0.370 4.490 4.120 -0.001 0.000 0.291 2498 V C -0.351 175.740 176.094 -0.004 0.000 1.018 2498 V CA -0.940 61.355 62.300 -0.009 0.000 0.842 2498 V CB 1.528 33.345 31.823 -0.010 0.000 0.996 2498 V HN 0.806 nan 8.190 nan 0.000 0.426 2499 D N 2.246 122.644 120.400 -0.002 0.000 2.478 2499 D HA 0.094 4.733 4.640 -0.001 0.000 0.269 2499 D C 0.888 177.188 176.300 0.000 0.000 1.232 2499 D CA -0.495 53.505 54.000 -0.000 0.000 1.059 2499 D CB 0.704 41.505 40.800 0.001 0.000 1.104 2499 D HN 0.400 nan 8.370 nan 0.000 0.566 2500 D N -1.739 118.662 120.400 0.001 0.000 2.264 2500 D HA -0.088 4.551 4.640 -0.001 0.000 0.208 2500 D C 1.452 177.754 176.300 0.002 0.000 0.966 2500 D CA 0.624 54.625 54.000 0.002 0.000 0.864 2500 D CB 0.002 40.803 40.800 0.002 0.000 0.933 2500 D HN 0.185 nan 8.370 nan 0.000 0.499 2501 L N -1.004 120.221 121.223 0.003 0.000 2.558 2501 L HA 0.351 4.690 4.340 -0.001 0.000 0.225 2501 L C 1.952 178.825 176.870 0.004 0.000 1.128 2501 L CA 0.911 55.753 54.840 0.004 0.000 0.868 2501 L CB 0.143 42.204 42.059 0.004 0.000 1.006 2501 L HN 0.256 nan 8.230 nan 0.000 0.454 2502 G N -1.322 107.479 108.800 0.003 0.000 2.179 2502 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 2502 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 2502 G C 0.243 175.144 174.900 0.002 0.000 0.990 2502 G CA 0.101 45.202 45.100 0.002 0.000 0.646 2502 G HN 0.322 nan 8.290 nan 0.000 0.517 2503 D N 1.164 121.566 120.400 0.003 0.000 2.382 2503 D HA 0.394 5.033 4.640 -0.001 0.000 0.259 2503 D C 0.414 176.713 176.300 -0.003 0.000 1.224 2503 D CA 0.161 54.164 54.000 0.005 0.000 0.894 2503 D CB 1.100 41.904 40.800 0.008 0.000 1.127 2503 D HN 0.194 nan 8.370 nan 0.000 0.487 2504 V N 4.991 124.900 119.914 -0.009 0.000 2.347 2504 V HA 0.280 4.400 4.120 -0.001 0.000 0.280 2504 V C 0.128 176.205 176.094 -0.029 0.000 1.021 2504 V CA -0.795 61.490 62.300 -0.025 0.000 0.847 2504 V CB 1.581 33.378 31.823 -0.043 0.000 0.990 2504 V HN 0.334 nan 8.190 nan 0.000 0.444 2505 V N 6.043 125.944 119.914 -0.022 0.000 2.378 2505 V HA 0.449 4.569 4.120 -0.001 0.000 0.288 2505 V C -0.222 175.858 176.094 -0.022 0.000 1.016 2505 V CA -0.561 61.730 62.300 -0.017 0.000 0.840 2505 V CB 1.943 33.763 31.823 -0.004 0.000 0.994 2505 V HN 0.589 nan 8.190 nan 0.000 0.431 2506 V N 4.446 124.343 119.914 -0.029 0.000 2.357 2506 V HA 0.769 4.889 4.120 -0.001 0.000 0.284 2506 V C 0.103 176.189 176.094 -0.014 0.000 1.018 2506 V CA 0.019 62.302 62.300 -0.028 0.000 0.841 2506 V CB 1.588 33.385 31.823 -0.044 0.000 0.991 2506 V HN 0.976 nan 8.190 nan 0.000 0.437 2507 T N 2.641 117.188 114.554 -0.011 0.000 2.739 2507 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 2507 T C 0.128 174.824 174.700 -0.007 0.000 1.389 2507 T CA -0.361 61.737 62.100 -0.005 0.000 1.001 2507 T CB 2.058 70.925 68.868 -0.001 0.000 1.436 2507 T HN 0.602 nan 8.240 nan 0.000 0.500 2508 N N 0.327 119.024 118.700 -0.004 0.000 2.210 2508 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 2508 N C -0.779 174.727 175.510 -0.006 0.000 1.175 2508 N CA -0.019 53.027 53.050 -0.006 0.000 0.894 2508 N CB 0.445 38.929 38.487 -0.004 0.000 1.041 2508 N HN 0.552 nan 8.380 nan 0.000 0.506 2509 D N 0.357 120.755 120.400 -0.003 0.000 2.450 2509 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 2509 D C 1.282 177.579 176.300 -0.004 0.000 1.162 2509 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 2509 D CB 1.276 42.076 40.800 0.001 0.000 1.163 2509 D HN 0.290 nan 8.370 nan 0.000 0.472 2510 G N 1.658 110.455 108.800 -0.006 0.000 2.414 2510 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 2510 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 2510 G C 1.496 176.393 174.900 -0.005 0.000 1.188 2510 G CA 0.304 45.400 45.100 -0.008 0.000 0.783 2510 G HN 0.452 nan 8.290 nan 0.000 0.537 2511 V N 0.824 120.736 119.914 -0.003 0.000 2.515 2511 V HA -0.102 4.018 4.120 -0.001 0.000 0.250 2511 V C 2.969 179.064 176.094 0.000 0.000 1.058 2511 V CA 2.738 65.038 62.300 -0.001 0.000 1.064 2511 V CB -0.562 31.261 31.823 0.001 0.000 0.675 2511 V HN 0.401 nan 8.190 nan 0.000 0.461 2512 T N 0.566 115.120 114.554 0.000 0.000 2.777 2512 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 2512 T C 1.752 176.452 174.700 -0.000 0.000 1.040 2512 T CA 1.970 64.070 62.100 0.001 0.000 1.141 2512 T CB -0.257 68.612 68.868 0.001 0.000 0.868 2512 T HN 0.461 nan 8.240 nan 0.000 0.444 2513 I N 0.628 121.197 120.570 -0.002 0.000 2.208 2513 I HA -0.146 4.024 4.170 -0.001 0.000 0.245 2513 I C 1.982 178.098 176.117 -0.002 0.000 1.097 2513 I CA 0.944 62.242 61.300 -0.003 0.000 1.363 2513 I CB -0.265 37.731 38.000 -0.006 0.000 1.051 2513 I HN 0.162 nan 8.210 nan 0.000 0.413 2514 L N 0.171 121.394 121.223 -0.001 0.000 2.217 2514 L HA -0.079 4.260 4.340 -0.001 0.000 0.211 2514 L C 2.458 179.331 176.870 0.004 0.000 1.107 2514 L CA 1.561 56.402 54.840 0.001 0.000 0.783 2514 L CB -0.751 41.308 42.059 0.001 0.000 0.919 2514 L HN 0.104 nan 8.230 nan 0.000 0.442 2515 R N -1.071 119.431 120.500 0.003 0.000 2.100 2515 R HA -0.035 4.305 4.340 -0.001 0.000 0.220 2515 R C 1.962 178.265 176.300 0.004 0.000 1.091 2515 R CA 0.661 56.763 56.100 0.004 0.000 0.986 2515 R CB 0.002 30.305 30.300 0.004 0.000 0.888 2515 R HN 0.273 nan 8.270 nan 0.000 0.444 2516 E N 0.984 121.186 120.200 0.003 0.000 2.086 2516 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 2516 E C 1.284 177.885 176.600 0.002 0.000 0.975 2516 E CA 0.560 56.962 56.400 0.002 0.000 0.813 2516 E CB -0.104 29.596 29.700 0.001 0.000 0.768 2516 E HN 0.333 nan 8.360 nan 0.000 0.457 2517 M N -0.211 119.390 119.600 0.002 0.000 2.184 2517 M HA 0.099 4.579 4.480 -0.001 0.000 0.296 2517 M C 0.518 176.821 176.300 0.005 0.000 1.165 2517 M CA 0.358 55.660 55.300 0.002 0.000 1.175 2517 M CB 0.480 33.081 32.600 0.001 0.000 1.392 2517 M HN -0.239 nan 8.290 nan 0.000 0.457 2518 S N 1.533 117.237 115.700 0.007 0.000 2.466 2518 S HA 0.490 4.960 4.470 -0.001 0.000 0.313 2518 S C -0.894 173.715 174.600 0.015 0.000 1.078 2518 S CA -0.805 57.401 58.200 0.010 0.000 1.115 2518 S CB -0.016 63.190 63.200 0.010 0.000 1.006 2518 S HN 0.508 nan 8.310 nan 0.000 0.487 2519 V N 5.734 125.658 119.914 0.018 0.000 2.439 2519 V HA 0.425 4.545 4.120 -0.001 0.000 0.282 2519 V C 0.611 176.726 176.094 0.035 0.000 1.039 2519 V CA -0.405 61.912 62.300 0.028 0.000 0.913 2519 V CB 1.621 33.460 31.823 0.027 0.000 0.983 2519 V HN 0.793 nan 8.190 nan 0.000 0.460 2520 E N 1.148 121.379 120.200 0.052 0.000 2.228 2520 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 2520 E C 0.723 177.358 176.600 0.058 0.000 0.909 2520 E CA 0.112 56.540 56.400 0.046 0.000 0.911 2520 E CB -0.005 29.721 29.700 0.044 0.000 0.887 2520 E HN 0.693 nan 8.360 nan 0.000 0.481 2521 H N 2.736 121.810 119.070 0.006 0.000 2.886 2521 H HA 0.043 4.598 4.556 -0.001 0.000 0.329 2521 H C -1.713 173.618 175.328 0.005 0.000 1.044 2521 H CA -1.409 54.644 56.048 0.007 0.000 1.456 2521 H CB 1.527 31.289 29.762 -0.001 0.000 1.464 2521 H HN -0.206 nan 8.280 nan 0.000 0.573 2522 P HA -0.147 nan 4.420 nan 0.000 0.216 2522 P C 1.075 178.485 177.300 0.183 0.000 1.150 2522 P CA 2.023 65.158 63.100 0.058 0.000 0.843 2522 P CB 0.118 31.793 31.700 -0.042 0.000 0.787 2523 A N 0.014 123.098 122.820 0.440 0.000 1.877 2523 A HA -0.091 4.229 4.320 -0.001 0.000 0.216 2523 A C 2.329 179.963 177.584 0.082 0.000 1.186 2523 A CA 2.079 54.235 52.037 0.198 0.000 0.620 2523 A CB -1.566 17.459 19.000 0.043 0.000 0.822 2523 A HN 0.201 nan 8.150 nan 0.000 0.443 2524 A N -0.364 122.507 122.820 0.083 0.000 1.969 2524 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 2524 A C 2.078 179.688 177.584 0.043 0.000 1.169 2524 A CA 1.659 53.716 52.037 0.034 0.000 0.635 2524 A CB -0.360 18.656 19.000 0.027 0.000 0.810 2524 A HN 0.543 nan 8.150 nan 0.000 0.445 2525 K N -0.957 119.482 120.400 0.065 0.000 2.097 2525 K HA -0.035 4.285 4.320 -0.001 0.000 0.205 2525 K C 1.856 178.477 176.600 0.035 0.000 1.050 2525 K CA 1.295 57.608 56.287 0.043 0.000 0.938 2525 K CB -0.191 32.334 32.500 0.041 0.000 0.718 2525 K HN 0.347 nan 8.250 nan 0.000 0.442 2526 M N 0.623 120.247 119.600 0.041 0.000 2.288 2526 M HA -0.052 4.428 4.480 -0.001 0.000 0.266 2526 M C 2.168 178.483 176.300 0.024 0.000 1.072 2526 M CA 1.035 56.354 55.300 0.032 0.000 1.132 2526 M CB -0.670 31.953 32.600 0.037 0.000 1.386 2526 M HN 0.200 nan 8.290 nan 0.000 0.432 2527 L N 0.370 121.605 121.223 0.021 0.000 2.046 2527 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 2527 L C 2.224 179.099 176.870 0.009 0.000 1.077 2527 L CA 1.224 56.070 54.840 0.010 0.000 0.747 2527 L CB -0.175 41.885 42.059 0.001 0.000 0.896 2527 L HN 0.156 nan 8.230 nan 0.000 0.432 2528 I N -0.332 120.245 120.570 0.012 0.000 2.208 2528 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 2528 I C 2.468 178.591 176.117 0.010 0.000 1.097 2528 I CA 1.055 62.361 61.300 0.009 0.000 1.363 2528 I CB -0.404 37.603 38.000 0.012 0.000 1.051 2528 I HN 0.311 nan 8.210 nan 0.000 0.413 2529 E N 0.467 120.674 120.200 0.013 0.000 2.118 2529 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 2529 E C 2.419 179.026 176.600 0.011 0.000 0.992 2529 E CA 1.161 57.568 56.400 0.012 0.000 0.804 2529 E CB -0.259 29.450 29.700 0.015 0.000 0.741 2529 E HN 0.367 nan 8.360 nan 0.000 0.458 2530 V N 1.468 121.389 119.914 0.011 0.000 2.358 2530 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 2530 V C 2.461 178.559 176.094 0.006 0.000 1.047 2530 V CA 1.714 64.020 62.300 0.010 0.000 1.035 2530 V CB -0.807 31.021 31.823 0.009 0.000 0.658 2530 V HN 0.239 nan 8.190 nan 0.000 0.452 2531 A N -0.317 122.506 122.820 0.004 0.000 1.933 2531 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 2531 A C 2.283 179.869 177.584 0.003 0.000 1.175 2531 A CA 1.822 53.860 52.037 0.001 0.000 0.628 2531 A CB -0.400 18.599 19.000 -0.000 0.000 0.814 2531 A HN 0.543 nan 8.150 nan 0.000 0.444 2532 K N -0.928 119.475 120.400 0.005 0.000 2.155 2532 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 2532 K C 1.970 178.573 176.600 0.006 0.000 1.052 2532 K CA 1.514 57.804 56.287 0.005 0.000 0.948 2532 K CB -0.279 32.224 32.500 0.006 0.000 0.728 2532 K HN 0.460 nan 8.250 nan 0.000 0.448 2533 T N 1.190 115.748 114.554 0.007 0.000 2.777 2533 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 2533 T C 1.831 176.534 174.700 0.007 0.000 1.040 2533 T CA 1.360 63.464 62.100 0.008 0.000 1.141 2533 T CB -0.128 68.746 68.868 0.010 0.000 0.868 2533 T HN 0.179 nan 8.240 nan 0.000 0.444 2534 Q N 1.395 121.198 119.800 0.005 0.000 2.096 2534 Q HA -0.127 4.213 4.340 -0.001 0.000 0.204 2534 Q C 2.099 178.102 176.000 0.004 0.000 0.982 2534 Q CA 1.919 57.724 55.803 0.004 0.000 0.850 2534 Q CB -0.264 28.475 28.738 0.001 0.000 0.901 2534 Q HN 0.679 nan 8.270 nan 0.000 0.422 2535 E N -0.740 119.462 120.200 0.003 0.000 2.072 2535 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 2535 E C 1.590 178.193 176.600 0.004 0.000 0.985 2535 E CA 0.973 57.375 56.400 0.003 0.000 0.801 2535 E CB 0.063 29.765 29.700 0.003 0.000 0.750 2535 E HN 0.139 nan 8.360 nan 0.000 0.452 2536 K N 0.372 120.775 120.400 0.004 0.000 2.147 2536 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 2536 K C 1.940 178.543 176.600 0.005 0.000 1.049 2536 K CA 0.999 57.289 56.287 0.005 0.000 0.936 2536 K CB 0.026 32.529 32.500 0.005 0.000 0.722 2536 K HN 0.239 nan 8.250 nan 0.000 0.446 2537 E N -0.009 120.194 120.200 0.006 0.000 2.045 2537 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 2537 E C 2.228 178.832 176.600 0.006 0.000 0.968 2537 E CA 0.759 57.163 56.400 0.006 0.000 0.813 2537 E CB -0.048 29.656 29.700 0.008 0.000 0.780 2537 E HN -0.025 nan 8.360 nan 0.000 0.455 2538 V N -0.790 119.128 119.914 0.006 0.000 2.788 2538 V HA 0.207 4.327 4.120 -0.001 0.000 0.241 2538 V C 1.679 177.776 176.094 0.005 0.000 1.083 2538 V CA 1.159 63.463 62.300 0.006 0.000 1.103 2538 V CB 0.278 32.104 31.823 0.005 0.000 0.800 2538 V HN 0.509 nan 8.190 nan 0.000 0.476 2539 G N 0.297 109.099 108.800 0.004 0.000 4.677 2539 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.215 2539 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.215 2539 G C 0.168 175.071 174.900 0.004 0.000 1.506 2539 G CA 0.327 45.429 45.100 0.004 0.000 1.016 2539 G HN 0.482 nan 8.290 nan 0.000 0.653 2540 D N 1.668 122.071 120.400 0.005 0.000 2.377 2540 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 2540 D C 1.482 177.784 176.300 0.003 0.000 1.196 2540 D CA 1.590 55.593 54.000 0.005 0.000 0.962 2540 D CB 0.389 41.194 40.800 0.008 0.000 1.127 2540 D HN 1.800 nan 8.370 nan 0.000 0.471 2541 G N 0.233 109.033 108.800 0.001 0.000 2.147 2541 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 2541 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 2541 G C 1.019 175.915 174.900 -0.007 0.000 1.005 2541 G CA 1.326 46.423 45.100 -0.004 0.000 0.713 2541 G HN 0.657 nan 8.290 nan 0.000 0.515 2542 T N -3.392 111.159 114.554 -0.006 0.000 2.833 2542 T HA -0.083 4.267 4.350 -0.001 0.000 0.269 2542 T C 2.202 176.895 174.700 -0.012 0.000 1.054 2542 T CA 2.460 64.555 62.100 -0.007 0.000 1.135 2542 T CB -0.365 68.500 68.868 -0.005 0.000 0.869 2542 T HN 0.308 nan 8.240 nan 0.000 0.466 2543 T N 1.885 116.430 114.554 -0.015 0.000 2.732 2543 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 2543 T C 2.294 176.978 174.700 -0.027 0.000 1.040 2543 T CA 1.695 63.782 62.100 -0.021 0.000 1.145 2543 T CB -0.923 67.932 68.868 -0.022 0.000 0.866 2543 T HN 0.471 nan 8.240 nan 0.000 0.427 2544 T N 2.330 116.868 114.554 -0.026 0.000 2.665 2544 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 2544 T C 2.364 177.041 174.700 -0.038 0.000 1.035 2544 T CA 1.357 63.437 62.100 -0.034 0.000 1.151 2544 T CB -0.645 68.206 68.868 -0.029 0.000 0.862 2544 T HN 0.424 nan 8.240 nan 0.000 0.438 2545 A N 0.788 123.591 122.820 -0.030 0.000 1.908 2545 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 2545 A C 2.596 180.160 177.584 -0.034 0.000 1.181 2545 A CA 1.622 53.641 52.037 -0.029 0.000 0.627 2545 A CB -0.975 18.015 19.000 -0.017 0.000 0.818 2545 A HN 0.384 nan 8.150 nan 0.000 0.445 2546 V N -0.604 119.291 119.914 -0.030 0.000 2.453 2546 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 2546 V C 2.545 178.613 176.094 -0.043 0.000 1.048 2546 V CA 1.709 63.990 62.300 -0.031 0.000 1.049 2546 V CB -0.589 31.218 31.823 -0.026 0.000 0.672 2546 V HN 0.365 nan 8.190 nan 0.000 0.457 2547 V N -0.196 119.690 119.914 -0.047 0.000 2.343 2547 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 2547 V C 2.438 178.488 176.094 -0.074 0.000 1.051 2547 V CA 1.877 64.144 62.300 -0.056 0.000 1.036 2547 V CB -0.414 31.376 31.823 -0.055 0.000 0.654 2547 V HN 0.400 nan 8.190 nan 0.000 0.451 2548 V N 0.358 120.222 119.914 -0.083 0.000 2.295 2548 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 2548 V C 2.704 178.721 176.094 -0.128 0.000 1.049 2548 V CA 2.105 64.334 62.300 -0.119 0.000 1.024 2548 V CB -1.122 30.628 31.823 -0.121 0.000 0.648 2548 V HN 0.562 nan 8.190 nan 0.000 0.447 2549 A N 0.325 123.092 122.820 -0.089 0.000 1.972 2549 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 2549 A C 2.375 179.924 177.584 -0.058 0.000 1.169 2549 A CA 1.794 53.791 52.037 -0.068 0.000 0.635 2549 A CB -1.066 17.913 19.000 -0.035 0.000 0.810 2549 A HN 0.534 nan 8.150 nan 0.000 0.446 2550 G N -0.372 108.393 108.800 -0.059 0.000 2.404 2550 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.215 2550 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.215 2550 G C 1.483 176.350 174.900 -0.054 0.000 1.174 2550 G CA 1.275 46.345 45.100 -0.051 0.000 0.780 2550 G HN 0.544 nan 8.290 nan 0.000 0.537 2551 E N -0.002 120.154 120.200 -0.074 0.000 2.152 2551 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 2551 E C 2.284 178.833 176.600 -0.086 0.000 0.983 2551 E CA 0.370 56.723 56.400 -0.078 0.000 0.818 2551 E CB -0.407 29.234 29.700 -0.098 0.000 0.758 2551 E HN 0.257 nan 8.360 nan 0.000 0.467 2552 L N 0.112 121.259 121.223 -0.126 0.000 2.083 2552 L HA -0.069 4.271 4.340 -0.001 0.000 0.209 2552 L C 2.025 178.892 176.870 -0.004 0.000 1.083 2552 L CA 1.587 56.328 54.840 -0.165 0.000 0.752 2552 L CB -0.411 41.500 42.059 -0.246 0.000 0.899 2552 L HN 0.256 nan 8.230 nan 0.000 0.433 2553 L N -1.168 120.063 121.223 0.013 0.000 2.093 2553 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 2553 L C 2.731 179.627 176.870 0.042 0.000 1.085 2553 L CA 0.976 55.848 54.840 0.054 0.000 0.755 2553 L CB -0.445 41.624 42.059 0.017 0.000 0.904 2553 L HN 0.216 nan 8.230 nan 0.000 0.435 2554 R N -0.121 120.385 120.500 0.009 0.000 2.081 2554 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 2554 R C 2.285 178.602 176.300 0.028 0.000 1.131 2554 R CA 0.925 57.027 56.100 0.004 0.000 0.960 2554 R CB -0.143 30.146 30.300 -0.017 0.000 0.856 2554 R HN 0.217 nan 8.270 nan 0.000 0.436 2555 K N 0.378 120.805 120.400 0.046 0.000 2.148 2555 K HA -0.028 4.292 4.320 -0.001 0.000 0.204 2555 K C 2.025 178.723 176.600 0.163 0.000 1.050 2555 K CA 1.198 57.538 56.287 0.090 0.000 0.942 2555 K CB -0.161 32.387 32.500 0.080 0.000 0.724 2555 K HN 0.142 nan 8.250 nan 0.000 0.446 2556 A N 1.606 124.557 122.820 0.219 0.000 1.898 2556 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 2556 A C 2.137 179.757 177.584 0.059 0.000 1.181 2556 A CA 1.371 53.514 52.037 0.178 0.000 0.620 2556 A CB -0.288 18.850 19.000 0.230 0.000 0.819 2556 A HN 0.247 nan 8.150 nan 0.000 0.442 2557 E N 0.265 120.493 120.200 0.046 0.000 2.150 2557 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 2557 E C 1.776 178.382 176.600 0.010 0.000 0.985 2557 E CA 1.281 57.688 56.400 0.012 0.000 0.814 2557 E CB -0.150 29.550 29.700 0.001 0.000 0.752 2557 E HN 0.762 nan 8.360 nan 0.000 0.466 2558 E N 0.206 120.419 120.200 0.023 0.000 2.106 2558 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 2558 E C 2.344 178.956 176.600 0.019 0.000 0.984 2558 E CA 0.680 57.091 56.400 0.019 0.000 0.806 2558 E CB -0.005 29.710 29.700 0.026 0.000 0.750 2558 E HN 0.252 nan 8.360 nan 0.000 0.458 2559 L N 0.307 121.546 121.223 0.027 0.000 2.046 2559 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 2559 L C 2.224 179.088 176.870 -0.009 0.000 1.077 2559 L CA 0.507 55.354 54.840 0.012 0.000 0.747 2559 L CB -0.237 41.826 42.059 0.006 0.000 0.896 2559 L HN 0.168 nan 8.230 nan 0.000 0.432 2560 L N -0.181 121.031 121.223 -0.019 0.000 2.093 2560 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 2560 L C 2.104 178.961 176.870 -0.023 0.000 1.085 2560 L CA 1.719 56.538 54.840 -0.035 0.000 0.755 2560 L CB -0.786 41.248 42.059 -0.041 0.000 0.904 2560 L HN 0.247 nan 8.230 nan 0.000 0.435 2561 D N -1.280 119.113 120.400 -0.011 0.000 2.144 2561 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 2561 D C 1.790 178.089 176.300 -0.002 0.000 0.978 2561 D CA 0.773 54.769 54.000 -0.006 0.000 0.833 2561 D CB 0.162 40.961 40.800 -0.002 0.000 0.961 2561 D HN 0.223 nan 8.370 nan 0.000 0.470 2562 Q N 0.084 119.885 119.800 0.001 0.000 2.466 2562 Q HA 0.010 4.349 4.340 -0.001 0.000 0.210 2562 Q C 0.208 176.211 176.000 0.004 0.000 0.961 2562 Q CA 0.192 55.998 55.803 0.005 0.000 0.953 2562 Q CB -0.079 28.665 28.738 0.011 0.000 1.011 2562 Q HN 0.319 nan 8.270 nan 0.000 0.516 2563 N N -0.619 118.080 118.700 -0.002 0.000 2.776 2563 N HA -0.154 4.585 4.740 -0.001 0.000 0.249 2563 N C -1.321 174.194 175.510 0.008 0.000 1.111 2563 N CA 0.300 53.350 53.050 0.000 0.000 0.711 2563 N CB -1.149 37.342 38.487 0.008 0.000 1.065 2563 N HN -0.025 nan 8.380 nan 0.000 0.556 2564 V N 1.926 121.840 119.914 -0.001 0.000 2.385 2564 V HA 0.125 4.245 4.120 -0.001 0.000 0.269 2564 V C 0.935 177.029 176.094 0.000 0.000 1.043 2564 V CA -0.728 61.578 62.300 0.009 0.000 0.906 2564 V CB 1.014 32.834 31.823 -0.005 0.000 0.995 2564 V HN 0.327 nan 8.190 nan 0.000 0.467 2565 H N 8.342 127.393 119.070 -0.032 0.000 3.034 2565 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 2565 H C -1.684 173.613 175.328 -0.052 0.000 1.015 2565 H CA -1.221 54.807 56.048 -0.034 0.000 1.429 2565 H CB 1.642 31.388 29.762 -0.028 0.000 1.429 2565 H HN 0.380 nan 8.280 nan 0.000 0.585 2566 P HA -0.177 nan 4.420 nan 0.000 0.217 2566 P C 1.522 178.853 177.300 0.050 0.000 1.148 2566 P CA 1.797 64.834 63.100 -0.106 0.000 0.834 2566 P CB 0.070 31.666 31.700 -0.174 0.000 0.783 2567 T N -1.745 113.002 114.554 0.321 0.000 2.915 2567 T HA -0.078 4.272 4.350 -0.001 0.000 0.269 2567 T C 1.571 176.295 174.700 0.040 0.000 1.071 2567 T CA 0.756 62.947 62.100 0.152 0.000 1.132 2567 T CB -0.515 68.403 68.868 0.084 0.000 0.878 2567 T HN -0.149 nan 8.240 nan 0.000 0.479 2568 I N 0.719 121.319 120.570 0.049 0.000 2.333 2568 I HA -0.014 4.156 4.170 -0.001 0.000 0.246 2568 I C 2.539 178.593 176.117 -0.105 0.000 1.106 2568 I CA 0.813 62.102 61.300 -0.019 0.000 1.411 2568 I CB -1.313 36.690 38.000 0.004 0.000 1.082 2568 I HN 0.151 nan 8.210 nan 0.000 0.420 2569 V N 0.736 120.549 119.914 -0.167 0.000 2.343 2569 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 2569 V C 2.699 178.468 176.094 -0.543 0.000 1.051 2569 V CA 1.305 63.349 62.300 -0.427 0.000 1.036 2569 V CB -0.557 31.030 31.823 -0.395 0.000 0.654 2569 V HN 0.167 nan 8.190 nan 0.000 0.451 2570 V N 0.059 119.824 119.914 -0.249 0.000 2.261 2570 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 2570 V C 2.485 178.540 176.094 -0.066 0.000 1.047 2570 V CA 2.380 64.611 62.300 -0.116 0.000 1.015 2570 V CB -0.673 31.128 31.823 -0.037 0.000 0.642 2570 V HN 0.531 nan 8.190 nan 0.000 0.446 2571 K N 1.115 121.476 120.400 -0.065 0.000 2.026 2571 K HA -0.105 4.215 4.320 -0.001 0.000 0.208 2571 K C 2.050 178.627 176.600 -0.039 0.000 1.048 2571 K CA 1.944 58.207 56.287 -0.040 0.000 0.929 2571 K CB -1.165 31.314 32.500 -0.035 0.000 0.713 2571 K HN 0.387 nan 8.250 nan 0.000 0.439 2572 G N -0.809 107.961 108.800 -0.050 0.000 2.418 2572 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 2572 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 2572 G C 1.210 176.144 174.900 0.058 0.000 1.158 2572 G CA 0.833 45.936 45.100 0.005 0.000 0.771 2572 G HN 0.268 nan 8.290 nan 0.000 0.545 2573 Y N 0.405 120.629 120.300 -0.128 0.000 2.200 2573 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 2573 Y C 2.891 178.546 175.900 -0.409 0.000 1.137 2573 Y CA 1.077 59.017 58.100 -0.266 0.000 1.163 2573 Y CB -0.946 37.545 38.460 0.052 0.000 0.988 2573 Y HN 0.270 nan 8.280 nan 0.000 0.518 2574 Q N 0.319 120.108 119.800 -0.019 0.000 2.123 2574 Q HA -0.031 4.309 4.340 -0.001 0.000 0.199 2574 Q C 2.290 178.219 176.000 -0.118 0.000 0.966 2574 Q CA 1.528 57.300 55.803 -0.052 0.000 0.845 2574 Q CB -0.404 28.329 28.738 -0.008 0.000 0.907 2574 Q HN 0.328 nan 8.270 nan 0.000 0.439 2575 A N 0.270 123.017 122.820 -0.120 0.000 1.855 2575 A HA -0.005 4.315 4.320 -0.001 0.000 0.215 2575 A C 2.278 179.769 177.584 -0.156 0.000 1.191 2575 A CA 1.860 53.833 52.037 -0.106 0.000 0.613 2575 A CB -1.196 17.765 19.000 -0.066 0.000 0.829 2575 A HN 0.494 nan 8.150 nan 0.000 0.442 2576 A N -0.318 122.318 122.820 -0.307 0.000 1.930 2576 A HA 0.232 4.551 4.320 -0.001 0.000 0.217 2576 A C 2.458 179.792 177.584 -0.416 0.000 1.175 2576 A CA 1.875 53.684 52.037 -0.381 0.000 0.627 2576 A CB -0.905 17.730 19.000 -0.608 0.000 0.815 2576 A HN 1.028 nan 8.150 nan 0.000 0.443 2577 A N -1.076 121.365 122.820 -0.632 0.000 1.930 2577 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 2577 A C 2.098 179.662 177.584 -0.033 0.000 1.175 2577 A CA 1.545 53.474 52.037 -0.180 0.000 0.627 2577 A CB -0.400 18.544 19.000 -0.093 0.000 0.815 2577 A HN 0.481 nan 8.150 nan 0.000 0.443 2578 Q N -0.070 119.692 119.800 -0.063 0.000 2.124 2578 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 2578 Q C 1.753 177.761 176.000 0.013 0.000 0.977 2578 Q CA 1.213 57.005 55.803 -0.017 0.000 0.850 2578 Q CB -0.269 28.451 28.738 -0.031 0.000 0.901 2578 Q HN 0.517 nan 8.270 nan 0.000 0.429 2579 K N 0.228 120.644 120.400 0.027 0.000 2.167 2579 K HA 0.099 4.419 4.320 -0.001 0.000 0.203 2579 K C 1.946 178.635 176.600 0.148 0.000 1.052 2579 K CA 0.802 57.149 56.287 0.100 0.000 0.956 2579 K CB -0.104 32.504 32.500 0.179 0.000 0.735 2579 K HN 0.113 nan 8.250 nan 0.000 0.451 2580 A N 1.576 124.475 122.820 0.132 0.000 1.902 2580 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 2580 A C 2.131 179.780 177.584 0.107 0.000 1.181 2580 A CA 1.375 53.501 52.037 0.148 0.000 0.623 2580 A CB -0.382 18.756 19.000 0.229 0.000 0.818 2580 A HN 0.350 nan 8.150 nan 0.000 0.443 2581 Q N -0.880 118.972 119.800 0.087 0.000 2.172 2581 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 2581 Q C 1.882 177.916 176.000 0.057 0.000 0.964 2581 Q CA 1.100 56.941 55.803 0.064 0.000 0.855 2581 Q CB -0.090 28.679 28.738 0.050 0.000 0.918 2581 Q HN 0.581 nan 8.270 nan 0.000 0.444 2582 E N 0.530 120.767 120.200 0.062 0.000 2.110 2582 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 2582 E C 1.948 178.593 176.600 0.075 0.000 0.988 2582 E CA 0.799 57.234 56.400 0.058 0.000 0.804 2582 E CB 0.005 29.736 29.700 0.052 0.000 0.745 2582 E HN 0.218 nan 8.360 nan 0.000 0.458 2583 L N 0.454 121.738 121.223 0.100 0.000 2.093 2583 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 2583 L C 2.423 179.335 176.870 0.069 0.000 1.085 2583 L CA 1.123 56.023 54.840 0.100 0.000 0.755 2583 L CB -0.820 41.305 42.059 0.111 0.000 0.904 2583 L HN 0.095 nan 8.230 nan 0.000 0.435 2584 L N -1.030 120.230 121.223 0.062 0.000 2.093 2584 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 2584 L C 2.431 179.325 176.870 0.041 0.000 1.085 2584 L CA 1.194 56.062 54.840 0.047 0.000 0.755 2584 L CB -0.449 41.636 42.059 0.043 0.000 0.904 2584 L HN 0.231 nan 8.230 nan 0.000 0.435 2585 K N -0.773 119.652 120.400 0.041 0.000 2.155 2585 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 2585 K C 2.045 178.665 176.600 0.034 0.000 1.052 2585 K CA 1.443 57.750 56.287 0.033 0.000 0.948 2585 K CB -0.135 32.384 32.500 0.030 0.000 0.728 2585 K HN 0.263 nan 8.250 nan 0.000 0.448 2586 T N 1.949 116.528 114.554 0.042 0.000 2.777 2586 T HA -0.075 4.275 4.350 -0.001 0.000 0.266 2586 T C 1.852 176.574 174.700 0.037 0.000 1.040 2586 T CA 1.263 63.388 62.100 0.042 0.000 1.141 2586 T CB -0.120 68.782 68.868 0.057 0.000 0.868 2586 T HN 0.384 nan 8.240 nan 0.000 0.444 2587 I N -0.453 120.141 120.570 0.040 0.000 3.728 2587 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 2587 I C 1.019 177.154 176.117 0.030 0.000 1.276 2587 I CA -0.596 60.725 61.300 0.037 0.000 1.285 2587 I CB -0.427 37.602 38.000 0.048 0.000 1.038 2587 I HN -0.056 nan 8.210 nan 0.000 0.445 2588 A N 1.501 124.338 122.820 0.028 0.000 2.567 2588 A HA 0.122 4.442 4.320 -0.001 0.000 0.240 2588 A C 0.098 177.693 177.584 0.019 0.000 1.053 2588 A CA -0.000 52.051 52.037 0.023 0.000 0.755 2588 A CB -0.183 18.830 19.000 0.022 0.000 0.978 2588 A HN 0.639 nan 8.150 nan 0.000 0.507 2589 C N 3.754 123.064 119.300 0.016 0.000 2.273 2589 C HA 0.448 4.908 4.460 -0.001 0.000 0.328 2589 C C 0.316 175.313 174.990 0.011 0.000 1.275 2589 C CA -0.682 58.344 59.018 0.013 0.000 1.704 2589 C CB -0.790 26.957 27.740 0.012 0.000 2.326 2589 C HN 0.881 nan 8.230 nan 0.000 0.517 2590 E N 3.687 123.893 120.200 0.010 0.000 2.316 2590 E HA 0.424 4.773 4.350 -0.001 0.000 0.275 2590 E C -0.113 176.491 176.600 0.007 0.000 1.029 2590 E CA -0.063 56.342 56.400 0.008 0.000 0.871 2590 E CB 1.167 30.872 29.700 0.008 0.000 1.022 2590 E HN 0.700 nan 8.360 nan 0.000 0.418 2591 V N -0.511 119.407 119.914 0.006 0.000 3.040 2591 V HA 0.730 4.849 4.120 -0.001 0.000 0.312 2591 V C 0.320 176.417 176.094 0.005 0.000 1.115 2591 V CA -1.134 61.169 62.300 0.005 0.000 0.998 2591 V CB 1.673 33.499 31.823 0.005 0.000 1.042 2591 V HN 0.660 nan 8.190 nan 0.000 0.433 2592 G N 0.607 109.409 108.800 0.004 0.000 2.365 2592 G HA2 0.482 4.441 3.960 -0.001 0.000 0.249 2592 G HA3 0.482 4.441 3.960 -0.001 0.000 0.249 2592 G C 0.965 175.867 174.900 0.004 0.000 1.288 2592 G CA 0.126 45.228 45.100 0.003 0.000 0.887 2592 G HN 1.656 nan 8.290 nan 0.000 0.524 2593 A N 2.342 125.165 122.820 0.004 0.000 1.940 2593 A HA -0.057 4.263 4.320 -0.001 0.000 0.219 2593 A C 1.942 179.528 177.584 0.004 0.000 1.176 2593 A CA 1.197 53.237 52.037 0.004 0.000 0.631 2593 A CB -0.002 19.001 19.000 0.004 0.000 0.814 2593 A HN 0.515 nan 8.150 nan 0.000 0.446 2594 Q N 0.005 119.807 119.800 0.003 0.000 2.201 2594 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 2594 Q C -0.945 175.056 176.000 0.002 0.000 0.857 2594 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 2594 Q CB 0.026 28.766 28.738 0.003 0.000 1.124 2594 Q HN 0.720 nan 8.270 nan 0.000 0.473 2595 D N 0.728 121.130 120.400 0.002 0.000 2.344 2595 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 2595 D C 1.250 177.551 176.300 0.001 0.000 1.255 2595 D CA 0.065 54.066 54.000 0.001 0.000 0.894 2595 D CB 0.884 41.685 40.800 0.001 0.000 1.067 2595 D HN -0.218 nan 8.370 nan 0.000 0.492 2596 K N 3.409 123.809 120.400 0.000 0.000 2.077 2596 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 2596 K C 1.553 178.152 176.600 -0.002 0.000 1.051 2596 K CA 2.068 58.355 56.287 -0.001 0.000 0.929 2596 K CB -0.106 32.394 32.500 -0.001 0.000 0.715 2596 K HN 0.660 nan 8.250 nan 0.000 0.451 2597 E N -0.451 119.747 120.200 -0.003 0.000 2.023 2597 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 2597 E C 1.993 178.591 176.600 -0.004 0.000 1.003 2597 E CA 1.659 58.056 56.400 -0.004 0.000 0.809 2597 E CB -0.274 29.423 29.700 -0.004 0.000 0.755 2597 E HN 0.340 nan 8.360 nan 0.000 0.449 2598 I N 0.582 121.151 120.570 -0.002 0.000 2.454 2598 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 2598 I C 1.878 177.995 176.117 0.000 0.000 1.156 2598 I CA 0.729 62.029 61.300 -0.000 0.000 1.433 2598 I CB -0.060 37.941 38.000 0.002 0.000 1.082 2598 I HN 0.212 nan 8.210 nan 0.000 0.432 2599 L N 0.064 121.287 121.223 -0.000 0.000 2.141 2599 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 2599 L C 2.644 179.514 176.870 -0.001 0.000 1.094 2599 L CA 2.297 57.137 54.840 0.001 0.000 0.763 2599 L CB -1.566 40.494 42.059 0.001 0.000 0.908 2599 L HN 0.493 nan 8.230 nan 0.000 0.437 2600 T N -4.946 109.606 114.554 -0.003 0.000 3.035 2600 T HA -0.068 4.281 4.350 -0.001 0.000 0.259 2600 T C 1.898 176.593 174.700 -0.009 0.000 1.078 2600 T CA 0.437 62.533 62.100 -0.006 0.000 1.132 2600 T CB -0.065 68.798 68.868 -0.008 0.000 0.900 2600 T HN 0.179 nan 8.240 nan 0.000 0.480 2601 K N 0.613 121.009 120.400 -0.007 0.000 2.057 2601 K HA 0.098 4.418 4.320 -0.001 0.000 0.206 2601 K C 2.144 178.742 176.600 -0.003 0.000 1.050 2601 K CA 0.961 57.243 56.287 -0.008 0.000 0.935 2601 K CB -0.182 32.315 32.500 -0.006 0.000 0.715 2601 K HN 0.253 nan 8.250 nan 0.000 0.439 2602 I N 1.300 121.871 120.570 0.001 0.000 2.202 2602 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 2602 I C 2.517 178.638 176.117 0.006 0.000 1.091 2602 I CA 1.264 62.567 61.300 0.005 0.000 1.368 2602 I CB -1.343 36.660 38.000 0.006 0.000 1.058 2602 I HN 0.104 nan 8.210 nan 0.000 0.410 2603 A N 0.770 123.592 122.820 0.003 0.000 1.865 2603 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 2603 A C 2.397 179.982 177.584 0.002 0.000 1.191 2603 A CA 1.897 53.936 52.037 0.003 0.000 0.623 2603 A CB -0.658 18.342 19.000 0.000 0.000 0.826 2603 A HN 0.356 nan 8.150 nan 0.000 0.444 2604 M N -0.841 118.756 119.600 -0.005 0.000 2.159 2604 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 2604 M C 2.208 178.505 176.300 -0.006 0.000 1.063 2604 M CA 1.790 57.082 55.300 -0.014 0.000 1.110 2604 M CB -0.641 31.941 32.600 -0.031 0.000 1.374 2604 M HN 0.471 nan 8.290 nan 0.000 0.411 2605 T N -0.243 114.314 114.554 0.004 0.000 2.665 2605 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 2605 T C 1.954 176.679 174.700 0.043 0.000 1.035 2605 T CA 2.021 64.137 62.100 0.026 0.000 1.151 2605 T CB -0.320 68.563 68.868 0.026 0.000 0.862 2605 T HN 0.398 nan 8.240 nan 0.000 0.438 2606 S N 0.203 115.921 115.700 0.029 0.000 2.371 2606 S HA 0.034 4.504 4.470 -0.001 0.000 0.224 2606 S C 2.057 176.679 174.600 0.037 0.000 1.029 2606 S CA 0.568 58.787 58.200 0.031 0.000 0.978 2606 S CB -0.429 62.784 63.200 0.021 0.000 0.833 2606 S HN 0.451 nan 8.310 nan 0.000 0.466 2607 I N 1.680 122.267 120.570 0.028 0.000 2.226 2607 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 2607 I C 1.323 177.467 176.117 0.045 0.000 1.100 2607 I CA 0.967 62.283 61.300 0.026 0.000 1.374 2607 I CB -0.936 37.070 38.000 0.010 0.000 1.057 2607 I HN 0.415 nan 8.210 nan 0.000 0.413 2608 T N -0.407 114.180 114.554 0.055 0.000 2.903 2608 T HA 0.325 4.675 4.350 -0.001 0.000 0.314 2608 T C 1.083 175.912 174.700 0.215 0.000 1.078 2608 T CA 0.090 62.251 62.100 0.101 0.000 1.114 2608 T CB 1.224 70.117 68.868 0.042 0.000 0.987 2608 T HN 0.637 nan 8.240 nan 0.000 0.548 2609 G N 0.493 109.470 108.800 0.294 0.000 2.141 2609 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 2609 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 2609 G C -0.134 174.831 174.900 0.109 0.000 0.982 2609 G CA 0.317 45.549 45.100 0.220 0.000 0.662 2609 G HN 0.947 nan 8.290 nan 0.000 0.527 2610 K N -0.204 120.253 120.400 0.095 0.000 2.328 2610 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 2610 K C 1.565 178.196 176.600 0.052 0.000 0.955 2610 K CA 0.179 56.500 56.287 0.058 0.000 0.817 2610 K CB 0.971 33.498 32.500 0.045 0.000 1.208 2610 K HN 0.282 nan 8.250 nan 0.000 0.432 2611 G N 1.151 109.974 108.800 0.039 0.000 2.450 2611 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.220 2611 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.220 2611 G C 1.048 175.965 174.900 0.028 0.000 1.130 2611 G CA 1.035 46.155 45.100 0.033 0.000 0.760 2611 G HN 0.638 nan 8.290 nan 0.000 0.557 2612 A N 1.346 124.182 122.820 0.027 0.000 2.209 2612 A HA 0.092 4.411 4.320 -0.001 0.000 0.212 2612 A C 2.090 179.683 177.584 0.015 0.000 1.158 2612 A CA 1.497 53.546 52.037 0.020 0.000 0.742 2612 A CB -0.381 18.631 19.000 0.020 0.000 0.790 2612 A HN 0.661 nan 8.150 nan 0.000 0.472 2613 E N 1.380 121.591 120.200 0.019 0.000 2.333 2613 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 2613 E C 1.558 178.154 176.600 -0.006 0.000 1.007 2613 E CA 1.303 57.706 56.400 0.005 0.000 0.845 2613 E CB -0.541 29.164 29.700 0.009 0.000 0.766 2613 E HN 0.792 nan 8.360 nan 0.000 0.507 2614 K N 0.799 121.200 120.400 0.002 0.000 2.281 2614 K HA -0.080 4.240 4.320 -0.001 0.000 0.203 2614 K C 1.466 178.063 176.600 -0.005 0.000 1.046 2614 K CA 1.465 57.751 56.287 -0.002 0.000 0.938 2614 K CB -0.008 32.495 32.500 0.005 0.000 0.737 2614 K HN 0.164 nan 8.250 nan 0.000 0.458 2615 A N 1.784 124.603 122.820 -0.003 0.000 2.606 2615 A HA 0.137 4.457 4.320 -0.001 0.000 0.290 2615 A C 1.347 178.927 177.584 -0.006 0.000 1.174 2615 A CA -0.562 51.473 52.037 -0.004 0.000 0.958 2615 A CB -0.041 18.960 19.000 0.001 0.000 1.194 2615 A HN 0.414 nan 8.150 nan 0.000 0.526 2616 K N 0.186 120.579 120.400 -0.011 0.000 2.281 2616 K HA -0.197 4.122 4.320 -0.001 0.000 0.203 2616 K C 0.833 177.425 176.600 -0.015 0.000 1.046 2616 K CA 1.905 58.183 56.287 -0.014 0.000 0.938 2616 K CB -0.114 32.370 32.500 -0.026 0.000 0.737 2616 K HN 0.313 nan 8.250 nan 0.000 0.458 2617 E N 1.297 121.488 120.200 -0.016 0.000 2.072 2617 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 2617 E C 1.753 178.348 176.600 -0.008 0.000 0.982 2617 E CA 1.242 57.634 56.400 -0.014 0.000 0.803 2617 E CB 0.050 29.741 29.700 -0.015 0.000 0.755 2617 E HN 0.258 nan 8.360 nan 0.000 0.453 2618 K N 0.330 120.727 120.400 -0.005 0.000 2.057 2618 K HA 0.006 4.326 4.320 -0.001 0.000 0.206 2618 K C 1.970 178.571 176.600 0.001 0.000 1.050 2618 K CA 0.750 57.036 56.287 -0.001 0.000 0.935 2618 K CB -0.305 32.196 32.500 0.001 0.000 0.715 2618 K HN 0.057 nan 8.250 nan 0.000 0.439 2619 L N 0.101 121.324 121.223 0.000 0.000 2.046 2619 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 2619 L C 2.373 179.244 176.870 0.001 0.000 1.077 2619 L CA 1.405 56.246 54.840 0.002 0.000 0.747 2619 L CB -0.603 41.458 42.059 0.003 0.000 0.896 2619 L HN 0.196 nan 8.230 nan 0.000 0.432 2620 A N -0.241 122.577 122.820 -0.002 0.000 1.933 2620 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 2620 A C 2.175 179.759 177.584 -0.001 0.000 1.175 2620 A CA 1.809 53.844 52.037 -0.003 0.000 0.628 2620 A CB -0.427 18.569 19.000 -0.007 0.000 0.814 2620 A HN 0.387 nan 8.150 nan 0.000 0.444 2621 E N 0.200 120.399 120.200 -0.001 0.000 2.051 2621 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 2621 E C 1.755 178.357 176.600 0.003 0.000 0.991 2621 E CA 1.425 57.825 56.400 0.000 0.000 0.799 2621 E CB -0.230 29.470 29.700 -0.000 0.000 0.748 2621 E HN 0.468 nan 8.360 nan 0.000 0.449 2622 I N 0.275 120.847 120.570 0.004 0.000 2.226 2622 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 2622 I C 2.135 178.256 176.117 0.006 0.000 1.100 2622 I CA 0.955 62.258 61.300 0.006 0.000 1.374 2622 I CB -0.798 37.206 38.000 0.008 0.000 1.057 2622 I HN 0.197 nan 8.210 nan 0.000 0.413 2623 I N -0.063 120.510 120.570 0.004 0.000 2.406 2623 I HA -0.149 4.021 4.170 -0.001 0.000 0.249 2623 I C 2.487 178.606 176.117 0.004 0.000 1.122 2623 I CA 0.897 62.200 61.300 0.004 0.000 1.431 2623 I CB -0.405 37.597 38.000 0.004 0.000 1.087 2623 I HN -0.095 nan 8.210 nan 0.000 0.424 2624 V N 0.281 120.197 119.914 0.003 0.000 2.358 2624 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 2624 V C 2.449 178.545 176.094 0.004 0.000 1.047 2624 V CA 1.529 63.831 62.300 0.003 0.000 1.035 2624 V CB -0.581 31.243 31.823 0.002 0.000 0.658 2624 V HN 0.380 nan 8.190 nan 0.000 0.452 2625 E N 0.385 120.588 120.200 0.004 0.000 2.072 2625 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 2625 E C 2.378 178.982 176.600 0.006 0.000 0.985 2625 E CA 1.414 57.817 56.400 0.005 0.000 0.801 2625 E CB -0.458 29.245 29.700 0.006 0.000 0.750 2625 E HN 0.555 nan 8.360 nan 0.000 0.452 2626 A N 1.137 123.960 122.820 0.006 0.000 1.902 2626 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 2626 A C 2.623 180.210 177.584 0.005 0.000 1.181 2626 A CA 1.447 53.487 52.037 0.006 0.000 0.623 2626 A CB -0.688 18.315 19.000 0.005 0.000 0.818 2626 A HN 0.124 nan 8.150 nan 0.000 0.443 2627 V N -0.260 119.657 119.914 0.004 0.000 2.261 2627 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 2627 V C 2.763 178.859 176.094 0.005 0.000 1.047 2627 V CA 2.367 64.670 62.300 0.004 0.000 1.015 2627 V CB -0.832 30.993 31.823 0.004 0.000 0.642 2627 V HN 0.549 nan 8.190 nan 0.000 0.446 2628 S N 0.013 115.717 115.700 0.005 0.000 2.419 2628 S HA -0.126 4.344 4.470 -0.001 0.000 0.233 2628 S C 2.138 176.742 174.600 0.007 0.000 1.016 2628 S CA 1.238 59.442 58.200 0.006 0.000 0.974 2628 S CB -0.395 62.809 63.200 0.006 0.000 0.786 2628 S HN 0.645 nan 8.310 nan 0.000 0.492 2629 A N 1.057 123.882 122.820 0.008 0.000 1.930 2629 A HA -0.020 4.299 4.320 -0.001 0.000 0.217 2629 A C 2.240 179.830 177.584 0.011 0.000 1.175 2629 A CA 1.657 53.700 52.037 0.010 0.000 0.627 2629 A CB -0.538 18.468 19.000 0.009 0.000 0.815 2629 A HN 0.580 nan 8.150 nan 0.000 0.443 2630 V N -3.659 116.260 119.914 0.008 0.000 3.660 2630 V HA 0.135 4.254 4.120 -0.001 0.000 0.276 2630 V C 1.870 177.968 176.094 0.006 0.000 1.317 2630 V CA 0.868 63.172 62.300 0.007 0.000 1.097 2630 V CB -0.301 31.524 31.823 0.004 0.000 0.863 2630 V HN 0.155 nan 8.190 nan 0.000 0.438 2631 V N 1.000 120.917 119.914 0.006 0.000 2.568 2631 V HA -0.184 3.936 4.120 -0.001 0.000 0.253 2631 V C 1.623 177.720 176.094 0.006 0.000 1.072 2631 V CA 2.601 64.904 62.300 0.005 0.000 1.084 2631 V CB -0.596 31.230 31.823 0.005 0.000 0.676 2631 V HN 0.897 nan 8.190 nan 0.000 0.469 2632 D N -1.053 119.352 120.400 0.008 0.000 4.438 2632 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 2632 D C 0.617 176.921 176.300 0.007 0.000 0.686 2632 D CA 1.921 55.925 54.000 0.008 0.000 1.183 2632 D CB -1.234 39.569 40.800 0.005 0.000 0.623 2632 D HN 0.573 nan 8.370 nan 0.000 0.521 2633 D N 1.619 122.021 120.400 0.004 0.000 2.414 2633 D HA 0.216 4.856 4.640 -0.001 0.000 0.251 2633 D C -0.200 176.102 176.300 0.004 0.000 1.252 2633 D CA 0.299 54.301 54.000 0.003 0.000 0.999 2633 D CB 0.407 41.208 40.800 0.002 0.000 1.093 2633 D HN 0.199 nan 8.370 nan 0.000 0.515 2634 E N -0.303 119.899 120.200 0.003 0.000 2.373 2634 E HA 0.549 4.899 4.350 -0.001 0.000 0.233 2634 E C -0.238 176.364 176.600 0.003 0.000 1.035 2634 E CA -0.622 55.780 56.400 0.004 0.000 0.930 2634 E CB 0.625 30.327 29.700 0.004 0.000 1.278 2634 E HN 0.450 nan 8.360 nan 0.000 0.452 2635 G N 1.454 110.256 108.800 0.003 0.000 2.340 2635 G HA2 0.258 4.218 3.960 -0.001 0.000 0.298 2635 G HA3 0.258 4.218 3.960 -0.001 0.000 0.298 2635 G C -1.745 173.157 174.900 0.003 0.000 1.498 2635 G CA -0.736 44.366 45.100 0.003 0.000 0.847 2635 G HN 0.021 nan 8.290 nan 0.000 0.594 2636 K N 0.466 120.868 120.400 0.003 0.000 2.550 2636 K HA 0.542 4.861 4.320 -0.001 0.000 0.252 2636 K C -1.384 175.218 176.600 0.003 0.000 0.943 2636 K CA -0.542 55.747 56.287 0.003 0.000 0.806 2636 K CB 2.262 34.763 32.500 0.002 0.000 1.289 2636 K HN 0.512 nan 8.250 nan 0.000 0.435 2637 V N 3.415 123.331 119.914 0.003 0.000 2.370 2637 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 2637 V C -0.249 175.845 176.094 0.002 0.000 1.029 2637 V CA -0.717 61.584 62.300 0.002 0.000 0.870 2637 V CB 1.319 33.144 31.823 0.003 0.000 0.984 2637 V HN 0.606 nan 8.190 nan 0.000 0.451 2638 D N 4.023 124.423 120.400 0.001 0.000 2.427 2638 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 2638 D C 0.974 177.273 176.300 -0.002 0.000 1.076 2638 D CA -0.386 53.614 54.000 -0.001 0.000 0.849 2638 D CB 1.426 42.224 40.800 -0.002 0.000 1.052 2638 D HN 0.511 nan 8.370 nan 0.000 0.515 2639 K N 2.755 123.154 120.400 -0.002 0.000 2.160 2639 K HA -0.231 4.089 4.320 -0.001 0.000 0.206 2639 K C 0.964 177.561 176.600 -0.006 0.000 1.047 2639 K CA 1.319 57.605 56.287 -0.003 0.000 0.930 2639 K CB 0.161 32.660 32.500 -0.002 0.000 0.720 2639 K HN 0.331 nan 8.250 nan 0.000 0.450 2640 D N 0.193 120.589 120.400 -0.007 0.000 2.309 2640 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 2640 D C 1.389 177.681 176.300 -0.012 0.000 0.968 2640 D CA 0.701 54.695 54.000 -0.010 0.000 0.882 2640 D CB 0.129 40.923 40.800 -0.010 0.000 0.918 2640 D HN 0.263 nan 8.370 nan 0.000 0.503 2641 L N -0.304 120.913 121.223 -0.009 0.000 2.554 2641 L HA 0.172 4.512 4.340 -0.001 0.000 0.226 2641 L C 0.370 177.234 176.870 -0.010 0.000 1.137 2641 L CA 0.179 55.014 54.840 -0.009 0.000 0.863 2641 L CB 0.086 42.143 42.059 -0.004 0.000 0.985 2641 L HN 0.009 nan 8.230 nan 0.000 0.451 2642 I N 0.270 120.834 120.570 -0.010 0.000 2.382 2642 I HA 0.235 4.405 4.170 -0.001 0.000 0.286 2642 I C 0.075 176.183 176.117 -0.015 0.000 1.002 2642 I CA -0.461 60.833 61.300 -0.010 0.000 1.135 2642 I CB 1.681 39.678 38.000 -0.005 0.000 1.288 2642 I HN -0.113 nan 8.210 nan 0.000 0.448 2643 K N 6.625 127.012 120.400 -0.021 0.000 2.172 2643 K HA 0.427 4.747 4.320 -0.001 0.000 0.276 2643 K C -0.705 175.882 176.600 -0.023 0.000 1.013 2643 K CA -0.594 55.676 56.287 -0.028 0.000 0.913 2643 K CB 1.265 33.739 32.500 -0.042 0.000 1.055 2643 K HN 0.452 nan 8.250 nan 0.000 0.461 2644 I N 3.976 124.533 120.570 -0.021 0.000 2.307 2644 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 2644 I C 0.099 176.203 176.117 -0.022 0.000 1.054 2644 I CA -0.584 60.706 61.300 -0.016 0.000 1.218 2644 I CB 0.582 38.576 38.000 -0.010 0.000 1.398 2644 I HN 0.517 nan 8.210 nan 0.000 0.475 2645 E N 7.312 127.498 120.200 -0.025 0.000 2.199 2645 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 2645 E C -0.948 175.641 176.600 -0.019 0.000 0.899 2645 E CA -0.745 55.636 56.400 -0.032 0.000 0.772 2645 E CB 1.405 31.072 29.700 -0.054 0.000 1.155 2645 E HN 0.541 nan 8.360 nan 0.000 0.408 2646 K N 2.910 123.299 120.400 -0.019 0.000 2.471 2646 K HA 0.613 4.932 4.320 -0.001 0.000 0.252 2646 K C -0.929 175.662 176.600 -0.014 0.000 0.938 2646 K CA -1.105 55.176 56.287 -0.011 0.000 0.796 2646 K CB 1.591 34.086 32.500 -0.009 0.000 1.161 2646 K HN 0.097 nan 8.250 nan 0.000 0.425 2647 K N 2.028 122.424 120.400 -0.006 0.000 2.507 2647 K HA 0.218 4.537 4.320 -0.001 0.000 0.251 2647 K C -0.643 175.955 176.600 -0.002 0.000 0.943 2647 K CA -0.582 55.702 56.287 -0.005 0.000 0.794 2647 K CB 2.139 34.644 32.500 0.009 0.000 1.188 2647 K HN 0.992 nan 8.250 nan 0.000 0.428 2648 S N 0.430 116.122 115.700 -0.014 0.000 2.584 2648 S HA 0.675 5.144 4.470 -0.001 0.000 0.270 2648 S C 0.565 175.164 174.600 -0.001 0.000 1.346 2648 S CA 0.326 58.518 58.200 -0.013 0.000 1.018 2648 S CB 0.823 64.006 63.200 -0.029 0.000 0.899 2648 S HN 0.931 nan 8.310 nan 0.000 0.542 2649 G N -0.195 108.606 108.800 0.002 0.000 2.640 2649 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 2649 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 2649 G C -0.042 174.864 174.900 0.010 0.000 1.229 2649 G CA -0.125 44.980 45.100 0.007 0.000 0.796 2649 G HN 2.406 nan 8.290 nan 0.000 0.654 2650 A N -0.332 122.494 122.820 0.009 0.000 5.953 2650 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 2650 A C 1.187 178.777 177.584 0.009 0.000 2.116 2650 A CA 1.971 54.014 52.037 0.010 0.000 0.711 2650 A CB -1.624 17.384 19.000 0.012 0.000 1.100 2650 A HN 2.749 nan 8.150 nan 0.000 0.364 2651 S N -2.832 112.873 115.700 0.009 0.000 2.851 2651 S HA 0.691 5.161 4.470 -0.001 0.000 0.317 2651 S C 1.197 175.803 174.600 0.010 0.000 1.144 2651 S CA -0.109 58.097 58.200 0.010 0.000 0.862 2651 S CB 0.628 63.833 63.200 0.008 0.000 1.259 2651 S HN 1.019 nan 8.310 nan 0.000 0.564 2652 I N 2.009 122.585 120.570 0.010 0.000 2.546 2652 I HA -0.033 4.136 4.170 -0.001 0.000 0.255 2652 I C 1.514 177.637 176.117 0.009 0.000 1.163 2652 I CA 1.182 62.489 61.300 0.010 0.000 1.457 2652 I CB -1.347 36.659 38.000 0.011 0.000 1.092 2652 I HN 0.586 nan 8.210 nan 0.000 0.434 2653 D N 1.248 121.652 120.400 0.007 0.000 2.218 2653 D HA -0.172 4.467 4.640 -0.001 0.000 0.204 2653 D C 1.343 177.647 176.300 0.007 0.000 0.976 2653 D CA 1.194 55.197 54.000 0.005 0.000 0.853 2653 D CB -0.116 40.686 40.800 0.004 0.000 0.939 2653 D HN 0.432 nan 8.370 nan 0.000 0.481 2654 D N -0.174 120.232 120.400 0.009 0.000 2.347 2654 D HA -0.035 4.605 4.640 -0.001 0.000 0.215 2654 D C 0.330 176.640 176.300 0.016 0.000 0.976 2654 D CA 0.426 54.433 54.000 0.012 0.000 0.884 2654 D CB -0.016 40.792 40.800 0.012 0.000 0.915 2654 D HN -0.045 nan 8.370 nan 0.000 0.526 2655 T N 1.783 116.347 114.554 0.016 0.000 2.905 2655 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 2655 T C 0.228 174.940 174.700 0.020 0.000 1.024 2655 T CA 0.381 62.492 62.100 0.019 0.000 1.151 2655 T CB 0.224 69.101 68.868 0.014 0.000 0.987 2655 T HN 0.303 nan 8.240 nan 0.000 0.535 2656 E N 2.039 122.255 120.200 0.027 0.000 2.408 2656 E HA 0.596 4.946 4.350 -0.001 0.000 0.275 2656 E C -1.490 175.130 176.600 0.033 0.000 0.935 2656 E CA -1.188 55.229 56.400 0.029 0.000 0.775 2656 E CB 1.303 31.024 29.700 0.034 0.000 1.277 2656 E HN 0.326 nan 8.360 nan 0.000 0.455 2657 L N 2.505 123.745 121.223 0.028 0.000 2.275 2657 L HA 0.484 4.824 4.340 -0.001 0.000 0.288 2657 L C -1.234 175.659 176.870 0.038 0.000 1.046 2657 L CA -0.390 54.466 54.840 0.028 0.000 0.805 2657 L CB 0.883 42.953 42.059 0.018 0.000 1.193 2657 L HN 0.610 nan 8.230 nan 0.000 0.426 2658 I N 5.220 125.819 120.570 0.047 0.000 2.359 2658 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 2658 I C -0.129 176.016 176.117 0.047 0.000 1.018 2658 I CA -0.855 60.486 61.300 0.068 0.000 1.173 2658 I CB 0.994 39.068 38.000 0.124 0.000 1.326 2658 I HN 0.477 nan 8.210 nan 0.000 0.462 2659 K N 5.299 125.722 120.400 0.039 0.000 2.081 2659 K HA 0.441 4.760 4.320 -0.001 0.000 0.230 2659 K C 0.307 176.925 176.600 0.029 0.000 1.199 2659 K CA -0.076 56.226 56.287 0.026 0.000 1.130 2659 K CB -0.033 32.478 32.500 0.018 0.000 1.386 2659 K HN 0.848 nan 8.250 nan 0.000 0.280 2660 G N -1.251 107.565 108.800 0.027 0.000 2.335 2660 G HA2 0.267 4.227 3.960 -0.001 0.000 0.291 2660 G HA3 0.267 4.227 3.960 -0.001 0.000 0.291 2660 G C -1.704 173.194 174.900 -0.003 0.000 1.261 2660 G CA -0.804 44.310 45.100 0.022 0.000 0.871 2660 G HN 0.034 nan 8.290 nan 0.000 0.491 2661 V N 0.714 120.614 119.914 -0.022 0.000 2.409 2661 V HA 0.655 4.775 4.120 -0.001 0.000 0.291 2661 V C -0.719 175.299 176.094 -0.126 0.000 1.020 2661 V CA -0.603 61.651 62.300 -0.077 0.000 0.848 2661 V CB 1.243 33.002 31.823 -0.106 0.000 0.990 2661 V HN 0.818 nan 8.190 nan 0.000 0.430 2662 L N 7.909 129.016 121.223 -0.193 0.000 2.313 2662 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 2662 L C -0.350 176.358 176.870 -0.271 0.000 1.013 2662 L CA -0.150 54.464 54.840 -0.375 0.000 0.816 2662 L CB 1.751 43.489 42.059 -0.534 0.000 1.236 2662 L HN 0.562 nan 8.230 nan 0.000 0.419 2663 V N 1.533 121.297 119.914 -0.250 0.000 2.864 2663 V HA 0.610 4.730 4.120 -0.001 0.000 0.314 2663 V C -0.356 175.664 176.094 -0.123 0.000 1.073 2663 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 2663 V CB 1.857 33.630 31.823 -0.082 0.000 1.023 2663 V HN 0.828 nan 8.190 nan 0.000 0.435 2664 D N 1.056 121.410 120.400 -0.076 0.000 3.085 2664 D HA 0.286 4.926 4.640 -0.001 0.000 0.243 2664 D C -0.152 176.142 176.300 -0.010 0.000 1.232 2664 D CA -0.275 53.696 54.000 -0.048 0.000 0.913 2664 D CB 0.307 41.083 40.800 -0.040 0.000 1.108 2664 D HN 0.528 nan 8.370 nan 0.000 0.468 2665 K N 0.473 120.879 120.400 0.009 0.000 2.340 2665 K HA 0.418 4.738 4.320 -0.001 0.000 0.244 2665 K C 0.161 176.786 176.600 0.041 0.000 0.973 2665 K CA -0.810 55.500 56.287 0.038 0.000 0.828 2665 K CB 2.270 34.822 32.500 0.087 0.000 1.226 2665 K HN 0.265 nan 8.250 nan 0.000 0.437 2666 E N 0.546 120.763 120.200 0.029 0.000 2.334 2666 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 2666 E C -0.657 175.943 176.600 0.000 0.000 0.958 2666 E CA -1.152 55.261 56.400 0.023 0.000 0.821 2666 E CB 0.899 30.609 29.700 0.017 0.000 1.269 2666 E HN 0.091 nan 8.360 nan 0.000 0.413 2667 R N 1.203 121.700 120.500 -0.006 0.000 2.242 2667 R HA 0.083 4.423 4.340 -0.001 0.000 0.334 2667 R C 0.854 177.135 176.300 -0.032 0.000 1.071 2667 R CA -0.153 55.929 56.100 -0.030 0.000 0.922 2667 R CB 0.875 31.161 30.300 -0.022 0.000 1.023 2667 R HN 0.581 nan 8.270 nan 0.000 0.458 2668 V N 1.976 121.861 119.914 -0.048 0.000 2.546 2668 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 2668 V C 0.737 176.801 176.094 -0.050 0.000 1.076 2668 V CA 2.010 64.280 62.300 -0.050 0.000 1.087 2668 V CB 0.032 31.816 31.823 -0.065 0.000 0.674 2668 V HN 0.714 nan 8.190 nan 0.000 0.470 2669 S N -2.208 113.466 115.700 -0.044 0.000 2.536 2669 S HA 0.671 5.141 4.470 -0.001 0.000 0.287 2669 S C 0.749 175.342 174.600 -0.012 0.000 1.101 2669 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 2669 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 2669 S HN 0.516 nan 8.310 nan 0.000 0.481 2670 A N 2.987 125.805 122.820 -0.002 0.000 2.125 2670 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 2670 A C 1.868 179.459 177.584 0.011 0.000 1.156 2670 A CA 1.625 53.666 52.037 0.006 0.000 0.671 2670 A CB -0.586 18.420 19.000 0.009 0.000 0.794 2670 A HN 0.894 nan 8.150 nan 0.000 0.459 2671 Q N -1.088 118.723 119.800 0.018 0.000 2.389 2671 Q HA 0.119 4.458 4.340 -0.001 0.000 0.204 2671 Q C 0.487 176.498 176.000 0.018 0.000 0.944 2671 Q CA 0.045 55.863 55.803 0.026 0.000 0.908 2671 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 2671 Q HN 0.684 nan 8.270 nan 0.000 0.493 2672 M N 1.901 121.506 119.600 0.007 0.000 2.255 2672 M HA 0.276 4.755 4.480 -0.001 0.000 0.336 2672 M C -2.080 174.219 176.300 -0.002 0.000 1.135 2672 M CA -2.022 53.277 55.300 -0.001 0.000 1.145 2672 M CB 0.685 33.274 32.600 -0.017 0.000 1.473 2672 M HN -0.083 nan 8.290 nan 0.000 0.462 2673 P HA 0.015 nan 4.420 nan 0.000 0.266 2673 P C -0.470 176.829 177.300 -0.003 0.000 1.193 2673 P CA 0.281 63.380 63.100 -0.001 0.000 0.770 2673 P CB 0.455 32.154 31.700 -0.002 0.000 0.836 2674 K N 1.443 121.845 120.400 0.003 0.000 2.393 2674 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 2674 K C 0.591 177.201 176.600 0.016 0.000 1.026 2674 K CA 0.545 56.838 56.287 0.009 0.000 1.064 2674 K CB 0.094 32.600 32.500 0.010 0.000 0.833 2674 K HN 0.507 nan 8.250 nan 0.000 0.521 2675 K N -0.871 119.536 120.400 0.012 0.000 2.568 2675 K HA 0.395 4.715 4.320 -0.001 0.000 0.273 2675 K C -1.328 175.280 176.600 0.014 0.000 0.951 2675 K CA -0.921 55.378 56.287 0.019 0.000 0.854 2675 K CB 2.127 34.637 32.500 0.017 0.000 1.424 2675 K HN -0.279 nan 8.250 nan 0.000 0.427 2676 V N 1.446 121.373 119.914 0.021 0.000 2.577 2676 V HA 0.400 4.520 4.120 -0.001 0.000 0.303 2676 V C -0.403 175.706 176.094 0.025 0.000 1.042 2676 V CA -0.599 61.712 62.300 0.017 0.000 0.872 2676 V CB 1.807 33.638 31.823 0.013 0.000 0.998 2676 V HN 1.005 nan 8.190 nan 0.000 0.423 2677 T N -0.053 114.511 114.554 0.018 0.000 2.902 2677 T HA 0.539 4.888 4.350 -0.001 0.000 0.283 2677 T C 0.167 174.878 174.700 0.018 0.000 1.009 2677 T CA -0.221 61.890 62.100 0.018 0.000 1.051 2677 T CB 1.274 70.149 68.868 0.011 0.000 0.999 2677 T HN 0.799 nan 8.240 nan 0.000 0.474 2678 D N 0.397 120.809 120.400 0.019 0.000 2.689 2678 D HA -0.161 4.479 4.640 -0.001 0.000 0.237 2678 D C 0.323 176.639 176.300 0.025 0.000 1.148 2678 D CA 0.836 54.848 54.000 0.019 0.000 0.656 2678 D CB -1.257 39.551 40.800 0.014 0.000 1.050 2678 D HN 1.107 nan 8.370 nan 0.000 0.426 2679 A N 1.396 124.236 122.820 0.034 0.000 2.477 2679 A HA 0.353 4.672 4.320 -0.001 0.000 0.246 2679 A C 0.505 178.117 177.584 0.047 0.000 1.078 2679 A CA 0.189 52.251 52.037 0.043 0.000 0.770 2679 A CB 0.547 19.584 19.000 0.062 0.000 1.011 2679 A HN 0.156 nan 8.150 nan 0.000 0.494 2680 K N 3.017 123.443 120.400 0.044 0.000 2.347 2680 K HA 0.386 4.706 4.320 -0.001 0.000 0.262 2680 K C -1.195 175.441 176.600 0.061 0.000 1.052 2680 K CA -0.244 56.071 56.287 0.046 0.000 0.946 2680 K CB 0.933 33.453 32.500 0.032 0.000 1.220 2680 K HN 0.524 nan 8.250 nan 0.000 0.450 2681 I N 2.142 122.765 120.570 0.088 0.000 2.342 2681 I HA 0.203 4.372 4.170 -0.001 0.000 0.291 2681 I C 0.371 176.560 176.117 0.120 0.000 1.010 2681 I CA -0.172 61.213 61.300 0.142 0.000 1.308 2681 I CB 1.363 39.482 38.000 0.199 0.000 1.400 2681 I HN 0.508 nan 8.210 nan 0.000 0.488 2682 A N 7.591 130.486 122.820 0.125 0.000 2.330 2682 A HA 0.846 5.166 4.320 -0.001 0.000 0.327 2682 A C -0.767 176.904 177.584 0.145 0.000 1.155 2682 A CA -0.562 51.535 52.037 0.099 0.000 0.803 2682 A CB 0.640 19.674 19.000 0.058 0.000 1.208 2682 A HN 0.658 nan 8.150 nan 0.000 0.477 2683 L N 3.455 124.743 121.223 0.108 0.000 2.318 2683 L HA 0.463 4.803 4.340 -0.001 0.000 0.277 2683 L C -1.045 175.866 176.870 0.069 0.000 1.008 2683 L CA -0.102 54.801 54.840 0.105 0.000 0.846 2683 L CB 1.039 43.138 42.059 0.067 0.000 1.220 2683 L HN 0.571 nan 8.230 nan 0.000 0.423 2684 L N 3.120 124.385 121.223 0.071 0.000 2.341 2684 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 2684 L C 0.529 177.426 176.870 0.044 0.000 1.005 2684 L CA -0.567 54.301 54.840 0.047 0.000 0.818 2684 L CB 1.963 44.045 42.059 0.039 0.000 1.259 2684 L HN 0.584 nan 8.230 nan 0.000 0.418 2685 N N 0.190 118.908 118.700 0.031 0.000 2.353 2685 N HA -0.019 4.721 4.740 -0.001 0.000 0.185 2685 N C 0.237 175.759 175.510 0.020 0.000 1.098 2685 N CA -0.210 52.855 53.050 0.025 0.000 0.872 2685 N CB 0.173 38.671 38.487 0.018 0.000 0.970 2685 N HN 0.412 nan 8.380 nan 0.000 0.467 2686 C N 1.506 120.817 119.300 0.019 0.000 2.435 2686 C HA 0.767 5.227 4.460 -0.001 0.000 0.375 2686 C C 0.949 175.947 174.990 0.015 0.000 1.281 2686 C CA -0.986 58.041 59.018 0.015 0.000 1.963 2686 C CB -1.246 26.503 27.740 0.015 0.000 2.490 2686 C HN 0.577 nan 8.230 nan 0.000 0.557 2687 A N 6.573 129.399 122.820 0.010 0.000 2.520 2687 A HA 0.362 4.682 4.320 -0.001 0.000 0.235 2687 A C 0.421 178.008 177.584 0.005 0.000 1.065 2687 A CA 0.004 52.045 52.037 0.006 0.000 0.764 2687 A CB 0.072 19.074 19.000 0.003 0.000 1.002 2687 A HN 0.815 nan 8.150 nan 0.000 0.502 2688 I N 2.438 123.008 120.570 0.001 0.000 2.191 2688 I HA 0.186 4.356 4.170 -0.001 0.000 0.289 2688 I C 0.115 176.229 176.117 -0.005 0.000 1.141 2688 I CA 0.727 62.028 61.300 0.001 0.000 1.430 2688 I CB -1.540 36.458 38.000 -0.004 0.000 1.497 2688 I HN 0.609 nan 8.210 nan 0.000 0.636 2689 E N 2.940 123.140 120.200 -0.000 0.000 2.283 2689 E HA 0.453 4.802 4.350 -0.001 0.000 0.258 2689 E C -0.794 175.810 176.600 0.006 0.000 0.893 2689 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 2689 E CB 2.335 32.031 29.700 -0.006 0.000 1.242 2689 E HN 0.199 nan 8.360 nan 0.000 0.414 2690 E N 1.893 122.098 120.200 0.009 0.000 2.278 2690 E HA 0.180 4.530 4.350 -0.001 0.000 0.272 2690 E C -1.154 175.457 176.600 0.018 0.000 0.890 2690 E CA -0.554 55.857 56.400 0.017 0.000 0.770 2690 E CB 1.894 31.611 29.700 0.028 0.000 1.212 2690 E HN 0.276 nan 8.360 nan 0.000 0.415 2691 T N 2.891 117.455 114.554 0.016 0.000 2.940 2691 T HA 0.483 4.832 4.350 -0.001 0.000 0.309 2691 T C -0.242 174.474 174.700 0.026 0.000 1.056 2691 T CA 0.893 63.003 62.100 0.017 0.000 1.137 2691 T CB -0.254 68.622 68.868 0.013 0.000 0.976 2691 T HN 1.324 nan 8.240 nan 0.000 0.547 2692 A N 3.179 126.016 122.820 0.029 0.000 2.435 2692 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 2692 A C 1.255 178.881 177.584 0.069 0.000 0.138 2692 A CA 0.499 52.562 52.037 0.042 0.000 0.024 2692 A CB -1.853 17.169 19.000 0.036 0.000 3.974 2692 A HN 1.874 nan 8.150 nan 0.000 0.548 2693 S N 0.623 116.380 115.700 0.096 0.000 2.489 2693 S HA -0.012 4.458 4.470 -0.001 0.000 0.228 2693 S C 1.366 176.085 174.600 0.199 0.000 0.995 2693 S CA 1.427 59.742 58.200 0.192 0.000 0.934 2693 S CB 0.078 63.415 63.200 0.229 0.000 0.771 2693 S HN 1.161 nan 8.310 nan 0.000 0.522 2694 E N 1.885 122.146 120.200 0.102 0.000 2.046 2694 E HA 0.046 4.396 4.350 -0.001 0.000 0.190 2694 E C 1.994 178.622 176.600 0.046 0.000 0.982 2694 E CA 1.404 57.836 56.400 0.053 0.000 0.800 2694 E CB -0.418 29.302 29.700 0.032 0.000 0.756 2694 E HN 0.594 nan 8.360 nan 0.000 0.449 2695 M N -0.521 119.110 119.600 0.053 0.000 2.200 2695 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 2695 M C 2.037 178.374 176.300 0.060 0.000 1.066 2695 M CA 0.648 55.974 55.300 0.043 0.000 1.127 2695 M CB -0.110 32.511 32.600 0.035 0.000 1.379 2695 M HN 0.194 nan 8.290 nan 0.000 0.420 2696 L N 0.960 122.239 121.223 0.093 0.000 2.093 2696 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 2696 L C 2.410 179.392 176.870 0.185 0.000 1.085 2696 L CA 1.825 56.739 54.840 0.123 0.000 0.755 2696 L CB -0.697 41.437 42.059 0.125 0.000 0.904 2696 L HN 0.147 nan 8.230 nan 0.000 0.435 2697 K N -0.372 120.152 120.400 0.207 0.000 2.057 2697 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 2697 K C 1.568 178.166 176.600 -0.004 0.000 1.049 2697 K CA 1.826 58.142 56.287 0.049 0.000 0.931 2697 K CB -0.299 32.077 32.500 -0.207 0.000 0.714 2697 K HN 0.374 nan 8.250 nan 0.000 0.440 2698 D N 0.617 121.023 120.400 0.009 0.000 2.178 2698 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 2698 D C 2.014 178.323 176.300 0.015 0.000 0.974 2698 D CA 1.025 55.025 54.000 0.001 0.000 0.841 2698 D CB -0.083 40.720 40.800 0.005 0.000 0.953 2698 D HN 0.290 nan 8.370 nan 0.000 0.478 2699 M N -0.131 119.490 119.600 0.034 0.000 2.117 2699 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 2699 M C 2.252 178.574 176.300 0.037 0.000 1.065 2699 M CA 0.867 56.188 55.300 0.036 0.000 1.114 2699 M CB -0.044 32.582 32.600 0.044 0.000 1.361 2699 M HN -0.115 nan 8.290 nan 0.000 0.408 2700 V N 0.204 120.152 119.914 0.056 0.000 2.358 2700 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 2700 V C 2.580 178.689 176.094 0.026 0.000 1.047 2700 V CA 1.905 64.240 62.300 0.058 0.000 1.035 2700 V CB -1.129 30.764 31.823 0.117 0.000 0.658 2700 V HN 0.511 nan 8.190 nan 0.000 0.452 2701 A N -0.083 122.740 122.820 0.006 0.000 1.969 2701 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 2701 A C 2.176 179.759 177.584 -0.001 0.000 1.169 2701 A CA 1.928 53.960 52.037 -0.010 0.000 0.635 2701 A CB -0.411 18.573 19.000 -0.027 0.000 0.810 2701 A HN 0.551 nan 8.150 nan 0.000 0.445 2702 E N 0.283 120.486 120.200 0.006 0.000 2.107 2702 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 2702 E C 1.654 178.260 176.600 0.011 0.000 0.982 2702 E CA 1.154 57.559 56.400 0.008 0.000 0.809 2702 E CB -0.358 29.349 29.700 0.011 0.000 0.756 2702 E HN 0.644 nan 8.360 nan 0.000 0.459 2703 I N 0.246 120.825 120.570 0.014 0.000 2.252 2703 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 2703 I C 2.271 178.395 176.117 0.011 0.000 1.102 2703 I CA 1.139 62.447 61.300 0.014 0.000 1.385 2703 I CB -0.240 37.770 38.000 0.016 0.000 1.064 2703 I HN 0.061 nan 8.210 nan 0.000 0.414 2704 K N 1.795 122.201 120.400 0.009 0.000 2.063 2704 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 2704 K C 2.036 178.639 176.600 0.005 0.000 1.048 2704 K CA 1.731 58.021 56.287 0.006 0.000 0.928 2704 K CB -0.393 32.109 32.500 0.002 0.000 0.713 2704 K HN 0.270 nan 8.250 nan 0.000 0.442 2705 A N 0.279 123.101 122.820 0.004 0.000 1.972 2705 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 2705 A C 2.140 179.728 177.584 0.007 0.000 1.169 2705 A CA 2.142 54.181 52.037 0.004 0.000 0.635 2705 A CB -1.016 17.986 19.000 0.003 0.000 0.810 2705 A HN 0.568 nan 8.150 nan 0.000 0.446 2706 S N -1.671 114.035 115.700 0.009 0.000 2.447 2706 S HA 0.239 4.708 4.470 -0.001 0.000 0.233 2706 S C 1.646 176.254 174.600 0.013 0.000 1.006 2706 S CA 1.453 59.660 58.200 0.012 0.000 0.957 2706 S CB -0.559 62.651 63.200 0.016 0.000 0.773 2706 S HN 1.988 nan 8.310 nan 0.000 0.507 2707 G N 0.656 109.462 108.800 0.011 0.000 2.175 2707 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 2707 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 2707 G C 0.254 175.162 174.900 0.014 0.000 0.982 2707 G CA 0.028 45.135 45.100 0.012 0.000 0.641 2707 G HN 1.368 nan 8.290 nan 0.000 0.527 2708 A N -0.001 122.829 122.820 0.015 0.000 2.498 2708 A HA 0.595 4.914 4.320 -0.001 0.000 0.239 2708 A C 1.171 178.760 177.584 0.008 0.000 1.068 2708 A CA 0.961 53.008 52.037 0.017 0.000 0.766 2708 A CB 0.196 19.208 19.000 0.020 0.000 1.003 2708 A HN 0.364 nan 8.150 nan 0.000 0.497 2709 N N 0.332 119.037 118.700 0.007 0.000 2.382 2709 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 2709 N C -0.644 174.850 175.510 -0.027 0.000 1.122 2709 N CA 0.491 53.539 53.050 -0.004 0.000 0.870 2709 N CB 0.884 39.373 38.487 0.004 0.000 1.176 2709 N HN 0.381 nan 8.380 nan 0.000 0.474 2710 V N 2.358 122.254 119.914 -0.030 0.000 2.495 2710 V HA 0.441 4.560 4.120 -0.001 0.000 0.298 2710 V C -0.875 175.148 176.094 -0.119 0.000 1.031 2710 V CA -0.824 61.414 62.300 -0.103 0.000 0.871 2710 V CB 2.365 34.161 31.823 -0.045 0.000 0.988 2710 V HN 0.002 nan 8.190 nan 0.000 0.432 2711 L N 5.629 126.705 121.223 -0.245 0.000 2.372 2711 L HA 0.670 5.009 4.340 -0.001 0.000 0.274 2711 L C -1.324 175.348 176.870 -0.329 0.000 0.988 2711 L CA 0.014 54.752 54.840 -0.170 0.000 0.833 2711 L CB 1.284 43.290 42.059 -0.089 0.000 1.236 2711 L HN 0.472 nan 8.230 nan 0.000 0.410 2712 F N 4.947 124.898 119.950 0.002 0.000 2.361 2712 F HA 0.419 4.945 4.527 -0.001 0.000 0.364 2712 F C 0.257 176.055 175.800 -0.003 0.000 1.117 2712 F CA -0.314 57.684 58.000 -0.003 0.000 1.071 2712 F CB 1.239 40.236 39.000 -0.004 0.000 1.188 2712 F HN 0.489 nan 8.300 nan 0.000 0.464 2713 C N 5.167 124.542 119.300 0.125 0.000 2.295 2713 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 2713 C C 1.680 176.716 174.990 0.077 0.000 1.280 2713 C CA -0.463 58.601 59.018 0.076 0.000 1.746 2713 C CB 0.639 28.396 27.740 0.029 0.000 2.328 2713 C HN 0.937 nan 8.230 nan 0.000 0.521 2714 Q N 3.339 123.175 119.800 0.061 0.000 2.084 2714 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 2714 Q C 0.852 176.869 176.000 0.029 0.000 0.978 2714 Q CA 1.631 57.459 55.803 0.043 0.000 0.844 2714 Q CB 0.172 28.927 28.738 0.029 0.000 0.898 2714 Q HN 0.760 nan 8.270 nan 0.000 0.426 2715 K N -1.146 119.268 120.400 0.023 0.000 2.646 2715 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 2715 K C 0.392 176.998 176.600 0.009 0.000 1.026 2715 K CA -0.191 56.104 56.287 0.013 0.000 1.043 2715 K CB 0.062 32.568 32.500 0.009 0.000 1.383 2715 K HN 0.105 nan 8.250 nan 0.000 0.513 2716 G N 0.279 109.080 108.800 0.000 0.000 2.634 2716 G HA2 0.397 4.357 3.960 -0.001 0.000 0.255 2716 G HA3 0.397 4.357 3.960 -0.001 0.000 0.255 2716 G C -0.499 174.393 174.900 -0.015 0.000 1.205 2716 G CA -0.523 44.571 45.100 -0.009 0.000 0.884 2716 G HN 0.371 nan 8.290 nan 0.000 0.549 2717 I N 0.453 121.006 120.570 -0.028 0.000 2.447 2717 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 2717 I C -0.515 175.566 176.117 -0.059 0.000 1.023 2717 I CA -0.748 60.528 61.300 -0.040 0.000 1.083 2717 I CB 2.039 40.009 38.000 -0.049 0.000 1.245 2717 I HN 0.414 nan 8.210 nan 0.000 0.434 2718 D N 5.363 125.727 120.400 -0.059 0.000 2.414 2718 D HA -0.042 4.598 4.640 -0.001 0.000 0.242 2718 D C 0.667 176.891 176.300 -0.127 0.000 1.129 2718 D CA 0.162 54.117 54.000 -0.074 0.000 0.885 2718 D CB 1.315 42.080 40.800 -0.058 0.000 1.198 2718 D HN 0.500 nan 8.370 nan 0.000 0.437 2719 D N 3.188 123.501 120.400 -0.144 0.000 2.190 2719 D HA -0.182 4.457 4.640 -0.001 0.000 0.200 2719 D C 1.845 177.927 176.300 -0.362 0.000 0.992 2719 D CA 0.552 54.402 54.000 -0.251 0.000 0.854 2719 D CB 0.155 40.849 40.800 -0.177 0.000 0.936 2719 D HN 0.475 nan 8.370 nan 0.000 0.462 2720 L N 0.530 121.633 121.223 -0.201 0.000 2.056 2720 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 2720 L C 2.327 178.980 176.870 -0.362 0.000 1.078 2720 L CA 1.249 55.960 54.840 -0.215 0.000 0.749 2720 L CB -0.144 41.818 42.059 -0.162 0.000 0.901 2720 L HN -0.046 nan 8.230 nan 0.000 0.433 2721 A N -0.849 121.838 122.820 -0.221 0.000 1.969 2721 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 2721 A C 2.063 179.579 177.584 -0.114 0.000 1.169 2721 A CA 1.447 53.409 52.037 -0.125 0.000 0.635 2721 A CB -0.407 18.563 19.000 -0.050 0.000 0.810 2721 A HN 0.595 nan 8.150 nan 0.000 0.445 2722 Q N -1.117 118.563 119.800 -0.199 0.000 2.167 2722 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 2722 Q C 1.932 177.840 176.000 -0.154 0.000 0.970 2722 Q CA 1.356 57.044 55.803 -0.192 0.000 0.855 2722 Q CB -0.252 28.318 28.738 -0.280 0.000 0.911 2722 Q HN 0.748 nan 8.270 nan 0.000 0.438 2723 H N -0.798 118.206 119.070 -0.110 0.000 2.326 2723 H HA -0.123 4.433 4.556 -0.001 0.000 0.301 2723 H C 1.743 177.111 175.328 0.067 0.000 1.081 2723 H CA 1.260 57.262 56.048 -0.077 0.000 1.334 2723 H CB -0.215 29.433 29.762 -0.189 0.000 1.385 2723 H HN 0.305 nan 8.280 nan 0.000 0.504 2724 Y N 0.657 121.024 120.300 0.113 0.000 2.314 2724 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 2724 Y C 2.809 178.726 175.900 0.028 0.000 1.129 2724 Y CA 0.109 58.243 58.100 0.057 0.000 1.201 2724 Y CB -0.901 37.584 38.460 0.041 0.000 0.999 2724 Y HN 0.056 nan 8.280 nan 0.000 0.541 2725 L N -0.762 120.561 121.223 0.167 0.000 2.046 2725 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 2725 L C 2.631 179.535 176.870 0.056 0.000 1.077 2725 L CA 1.254 56.140 54.840 0.076 0.000 0.747 2725 L CB -0.778 41.294 42.059 0.021 0.000 0.896 2725 L HN 0.157 nan 8.230 nan 0.000 0.432 2726 A N -0.052 122.807 122.820 0.065 0.000 1.930 2726 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 2726 A C 2.299 179.923 177.584 0.066 0.000 1.175 2726 A CA 1.507 53.578 52.037 0.056 0.000 0.627 2726 A CB -0.308 18.732 19.000 0.067 0.000 0.815 2726 A HN 0.313 nan 8.150 nan 0.000 0.443 2727 K N -0.382 120.078 120.400 0.100 0.000 2.211 2727 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 2727 K C 1.192 177.819 176.600 0.044 0.000 1.050 2727 K CA 1.163 57.498 56.287 0.079 0.000 0.945 2727 K CB 0.006 32.572 32.500 0.110 0.000 0.732 2727 K HN 0.359 nan 8.250 nan 0.000 0.451 2728 E N -0.470 119.757 120.200 0.045 0.000 2.489 2728 E HA 0.023 4.373 4.350 -0.001 0.000 0.193 2728 E C 0.877 177.487 176.600 0.016 0.000 1.057 2728 E CA 0.423 56.836 56.400 0.022 0.000 0.866 2728 E CB 0.640 30.353 29.700 0.022 0.000 0.916 2728 E HN 0.451 nan 8.360 nan 0.000 0.500 2729 G N 1.921 110.732 108.800 0.019 0.000 2.147 2729 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 2729 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 2729 G C 0.234 175.134 174.900 0.000 0.000 1.005 2729 G CA 0.173 45.279 45.100 0.010 0.000 0.713 2729 G HN 0.269 nan 8.290 nan 0.000 0.515 2730 I N 1.043 121.613 120.570 -0.000 0.000 2.342 2730 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 2730 I C 1.018 177.114 176.117 -0.036 0.000 1.010 2730 I CA -1.087 60.202 61.300 -0.017 0.000 1.308 2730 I CB 1.550 39.543 38.000 -0.012 0.000 1.400 2730 I HN 0.148 nan 8.210 nan 0.000 0.488 2731 V N 3.806 123.684 119.914 -0.061 0.000 2.509 2731 V HA 0.912 5.031 4.120 -0.001 0.000 0.284 2731 V C 0.062 176.062 176.094 -0.158 0.000 1.047 2731 V CA -0.283 61.962 62.300 -0.092 0.000 0.952 2731 V CB 1.173 32.943 31.823 -0.089 0.000 0.988 2731 V HN 0.820 nan 8.190 nan 0.000 0.469 2732 A N 3.620 126.343 122.820 -0.162 0.000 2.515 2732 A HA 0.999 5.319 4.320 -0.001 0.000 0.298 2732 A C -0.329 177.137 177.584 -0.197 0.000 1.059 2732 A CA -0.315 51.601 52.037 -0.202 0.000 0.698 2732 A CB 1.878 20.805 19.000 -0.121 0.000 1.289 2732 A HN 2.330 nan 8.150 nan 0.000 0.404 2733 A N 1.908 124.586 122.820 -0.237 0.000 2.359 2733 A HA 0.739 5.058 4.320 -0.001 0.000 0.303 2733 A C -0.009 177.561 177.584 -0.023 0.000 1.066 2733 A CA -0.649 51.323 52.037 -0.109 0.000 0.730 2733 A CB 0.780 19.735 19.000 -0.076 0.000 1.211 2733 A HN 1.205 nan 8.150 nan 0.000 0.439 2734 R N 1.839 122.335 120.500 -0.007 0.000 2.700 2734 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 2734 R C -0.362 175.954 176.300 0.027 0.000 1.091 2734 R CA -0.782 55.324 56.100 0.009 0.000 1.104 2734 R CB 0.405 30.698 30.300 -0.012 0.000 1.202 2734 R HN 0.493 nan 8.270 nan 0.000 0.532 2735 R N -0.926 119.588 120.500 0.023 0.000 3.516 2735 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 2735 R C -0.681 175.638 176.300 0.032 0.000 1.098 2735 R CA 0.569 56.682 56.100 0.021 0.000 0.732 2735 R CB -2.619 27.687 30.300 0.010 0.000 1.152 2735 R HN 0.528 nan 8.270 nan 0.000 0.455 2736 V N 1.411 121.357 119.914 0.053 0.000 2.572 2736 V HA 0.036 4.156 4.120 -0.001 0.000 0.291 2736 V C 1.468 177.576 176.094 0.024 0.000 1.039 2736 V CA -0.022 62.315 62.300 0.061 0.000 1.055 2736 V CB 1.182 33.073 31.823 0.114 0.000 0.969 2736 V HN 0.153 nan 8.190 nan 0.000 0.482 2737 K N 3.308 123.711 120.400 0.005 0.000 2.382 2737 K HA 0.030 4.350 4.320 -0.001 0.000 0.275 2737 K C 1.209 177.800 176.600 -0.015 0.000 1.009 2737 K CA -0.318 55.964 56.287 -0.008 0.000 0.970 2737 K CB 0.548 33.038 32.500 -0.017 0.000 0.934 2737 K HN 0.608 nan 8.250 nan 0.000 0.479 2738 K N 1.977 122.370 120.400 -0.012 0.000 2.074 2738 K HA -0.198 4.121 4.320 -0.001 0.000 0.209 2738 K C 1.914 178.499 176.600 -0.026 0.000 1.048 2738 K CA 2.228 58.506 56.287 -0.014 0.000 0.926 2738 K CB -0.553 31.941 32.500 -0.010 0.000 0.713 2738 K HN 0.582 nan 8.250 nan 0.000 0.444 2739 S N 0.182 115.865 115.700 -0.029 0.000 2.359 2739 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 2739 S C 1.401 175.966 174.600 -0.058 0.000 1.035 2739 S CA 1.785 59.962 58.200 -0.038 0.000 1.018 2739 S CB -0.555 62.625 63.200 -0.034 0.000 0.876 2739 S HN 0.424 nan 8.310 nan 0.000 0.448 2740 D N 0.914 121.274 120.400 -0.067 0.000 2.144 2740 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 2740 D C 2.001 178.213 176.300 -0.146 0.000 0.984 2740 D CA 0.979 54.912 54.000 -0.111 0.000 0.834 2740 D CB -0.273 40.466 40.800 -0.101 0.000 0.955 2740 D HN 0.382 nan 8.370 nan 0.000 0.465 2741 M N 0.478 120.021 119.600 -0.096 0.000 2.159 2741 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 2741 M C 1.888 178.140 176.300 -0.080 0.000 1.063 2741 M CA 1.200 56.449 55.300 -0.085 0.000 1.110 2741 M CB -0.752 31.830 32.600 -0.031 0.000 1.374 2741 M HN 0.118 nan 8.290 nan 0.000 0.411 2742 E N 0.016 120.177 120.200 -0.065 0.000 2.076 2742 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 2742 E C 2.063 178.625 176.600 -0.064 0.000 0.979 2742 E CA 0.793 57.161 56.400 -0.052 0.000 0.807 2742 E CB 0.015 29.692 29.700 -0.038 0.000 0.761 2742 E HN 0.494 nan 8.360 nan 0.000 0.454 2743 K N 0.680 121.031 120.400 -0.082 0.000 2.097 2743 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 2743 K C 2.197 178.732 176.600 -0.107 0.000 1.049 2743 K CA 0.833 57.068 56.287 -0.086 0.000 0.933 2743 K CB -0.083 32.360 32.500 -0.095 0.000 0.717 2743 K HN 0.106 nan 8.250 nan 0.000 0.442 2744 L N 0.475 121.600 121.223 -0.162 0.000 2.093 2744 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 2744 L C 2.580 179.385 176.870 -0.108 0.000 1.085 2744 L CA 1.029 55.749 54.840 -0.200 0.000 0.755 2744 L CB -0.537 41.296 42.059 -0.377 0.000 0.904 2744 L HN 0.193 nan 8.230 nan 0.000 0.435 2745 A N 0.090 122.863 122.820 -0.078 0.000 1.930 2745 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 2745 A C 2.321 179.890 177.584 -0.025 0.000 1.175 2745 A CA 1.527 53.542 52.037 -0.037 0.000 0.627 2745 A CB -0.281 18.703 19.000 -0.028 0.000 0.815 2745 A HN 0.306 nan 8.150 nan 0.000 0.443 2746 K N -0.315 120.066 120.400 -0.032 0.000 2.026 2746 K HA -0.040 4.279 4.320 -0.001 0.000 0.208 2746 K C 2.333 178.928 176.600 -0.008 0.000 1.048 2746 K CA 1.196 57.472 56.287 -0.019 0.000 0.929 2746 K CB -0.283 32.203 32.500 -0.024 0.000 0.713 2746 K HN 0.437 nan 8.250 nan 0.000 0.439 2747 A N 1.023 123.831 122.820 -0.020 0.000 1.855 2747 A HA -0.124 4.195 4.320 -0.001 0.000 0.213 2747 A C 2.287 179.877 177.584 0.010 0.000 1.195 2747 A CA 2.034 54.066 52.037 -0.007 0.000 0.610 2747 A CB -0.942 18.042 19.000 -0.027 0.000 0.837 2747 A HN 0.451 nan 8.150 nan 0.000 0.444 2748 T N -4.299 110.255 114.554 0.001 0.000 3.043 2748 T HA 0.357 4.706 4.350 -0.001 0.000 0.263 2748 T C 1.486 176.204 174.700 0.030 0.000 1.094 2748 T CA 1.236 63.347 62.100 0.020 0.000 1.127 2748 T CB -0.135 68.746 68.868 0.021 0.000 0.905 2748 T HN 1.772 nan 8.240 nan 0.000 0.490 2749 G N 1.527 110.339 108.800 0.020 0.000 2.143 2749 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.248 2749 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.248 2749 G C 0.282 175.194 174.900 0.020 0.000 0.991 2749 G CA 0.036 45.148 45.100 0.022 0.000 0.689 2749 G HN 1.209 nan 8.290 nan 0.000 0.522 2750 A N -0.326 122.505 122.820 0.018 0.000 2.445 2750 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 2750 A C 0.459 178.053 177.584 0.017 0.000 1.075 2750 A CA 0.551 52.603 52.037 0.025 0.000 0.777 2750 A CB 0.377 19.397 19.000 0.034 0.000 1.013 2750 A HN 0.818 nan 8.150 nan 0.000 0.493 2751 N N 1.662 120.375 118.700 0.021 0.000 2.444 2751 N HA 0.358 5.098 4.740 -0.001 0.000 0.262 2751 N C -0.872 174.650 175.510 0.020 0.000 0.974 2751 N CA -0.356 52.703 53.050 0.016 0.000 0.933 2751 N CB 1.158 39.654 38.487 0.015 0.000 1.137 2751 N HN 0.288 nan 8.380 nan 0.000 0.498 2752 V N 4.913 124.836 119.914 0.014 0.000 2.485 2752 V HA 0.141 4.260 4.120 -0.001 0.000 0.287 2752 V C 0.400 176.505 176.094 0.017 0.000 1.022 2752 V CA -0.063 62.247 62.300 0.017 0.000 1.067 2752 V CB -0.127 31.701 31.823 0.009 0.000 0.967 2752 V HN 0.516 nan 8.190 nan 0.000 0.479 2753 I N 4.133 124.716 120.570 0.022 0.000 2.441 2753 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 2753 I C 0.986 177.114 176.117 0.018 0.000 0.994 2753 I CA -0.338 60.974 61.300 0.019 0.000 1.144 2753 I CB 1.314 39.327 38.000 0.021 0.000 1.314 2753 I HN 0.635 nan 8.210 nan 0.000 0.445 2754 A N 5.621 128.450 122.820 0.014 0.000 1.832 2754 A HA 0.355 4.674 4.320 -0.001 0.000 0.214 2754 A C 1.079 178.671 177.584 0.014 0.000 1.204 2754 A CA 1.095 53.140 52.037 0.013 0.000 0.606 2754 A CB -0.175 18.831 19.000 0.010 0.000 0.849 2754 A HN 0.733 nan 8.150 nan 0.000 0.445 2755 A N -1.023 121.805 122.820 0.013 0.000 2.317 2755 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 2755 A C 0.737 178.329 177.584 0.014 0.000 1.178 2755 A CA -0.593 51.451 52.037 0.013 0.000 0.817 2755 A CB 0.403 19.409 19.000 0.011 0.000 1.189 2755 A HN 0.364 nan 8.150 nan 0.000 0.489 2756 I N 1.821 122.400 120.570 0.015 0.000 2.335 2756 I HA -0.331 3.838 4.170 -0.001 0.000 0.251 2756 I C 2.756 178.881 176.117 0.014 0.000 1.129 2756 I CA 1.635 62.944 61.300 0.016 0.000 1.402 2756 I CB -0.247 37.763 38.000 0.016 0.000 1.069 2756 I HN 0.779 nan 8.210 nan 0.000 0.424 2757 A N 0.822 123.649 122.820 0.012 0.000 1.917 2757 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 2757 A C 2.506 180.096 177.584 0.010 0.000 1.182 2757 A CA 2.094 54.137 52.037 0.010 0.000 0.633 2757 A CB -0.747 18.258 19.000 0.009 0.000 0.819 2757 A HN 0.460 nan 8.150 nan 0.000 0.448 2758 A N -1.297 121.530 122.820 0.011 0.000 2.067 2758 A HA 0.290 4.610 4.320 -0.001 0.000 0.217 2758 A C 1.025 178.616 177.584 0.012 0.000 1.156 2758 A CA 0.477 52.521 52.037 0.011 0.000 0.683 2758 A CB -0.452 18.554 19.000 0.010 0.000 0.808 2758 A HN 0.599 nan 8.150 nan 0.000 0.455 2759 L N 1.818 123.049 121.223 0.014 0.000 2.477 2759 L HA 0.360 4.699 4.340 -0.001 0.000 0.272 2759 L C 0.379 177.258 176.870 0.015 0.000 1.157 2759 L CA 0.503 55.352 54.840 0.016 0.000 0.889 2759 L CB 0.386 42.456 42.059 0.019 0.000 1.158 2759 L HN 0.344 nan 8.230 nan 0.000 0.473 2760 S N 3.376 119.085 115.700 0.015 0.000 2.704 2760 S HA 0.781 5.251 4.470 -0.001 0.000 0.296 2760 S C 0.836 175.446 174.600 0.016 0.000 1.138 2760 S CA -0.349 57.859 58.200 0.014 0.000 0.875 2760 S CB 1.277 64.484 63.200 0.012 0.000 1.151 2760 S HN 0.810 nan 8.310 nan 0.000 0.500 2761 A N 0.371 123.200 122.820 0.015 0.000 2.024 2761 A HA -0.081 4.238 4.320 -0.001 0.000 0.220 2761 A C 2.021 179.616 177.584 0.018 0.000 1.164 2761 A CA 1.526 53.572 52.037 0.016 0.000 0.643 2761 A CB -1.059 17.950 19.000 0.014 0.000 0.806 2761 A HN 0.857 nan 8.150 nan 0.000 0.451 2762 Q N -0.518 119.291 119.800 0.016 0.000 2.436 2762 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 2762 Q C 0.545 176.556 176.000 0.018 0.000 0.965 2762 Q CA 0.980 56.792 55.803 0.016 0.000 0.910 2762 Q CB 0.012 28.758 28.738 0.013 0.000 0.980 2762 Q HN 0.612 nan 8.270 nan 0.000 0.491 2763 D N -0.203 120.209 120.400 0.020 0.000 2.350 2763 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 2763 D C -0.147 176.170 176.300 0.028 0.000 1.031 2763 D CA 0.222 54.235 54.000 0.022 0.000 0.861 2763 D CB 0.374 41.187 40.800 0.021 0.000 0.926 2763 D HN 0.096 nan 8.370 nan 0.000 0.520 2764 L N 0.966 122.208 121.223 0.031 0.000 2.380 2764 L HA 0.325 4.664 4.340 -0.001 0.000 0.273 2764 L C 1.285 178.179 176.870 0.040 0.000 1.138 2764 L CA -0.031 54.832 54.840 0.039 0.000 0.832 2764 L CB 1.013 43.094 42.059 0.036 0.000 1.124 2764 L HN -0.174 nan 8.230 nan 0.000 0.454 2765 G N 1.183 110.012 108.800 0.048 0.000 2.488 2765 G HA2 0.535 4.494 3.960 -0.001 0.000 0.318 2765 G HA3 0.535 4.494 3.960 -0.001 0.000 0.318 2765 G C -1.110 173.821 174.900 0.052 0.000 1.188 2765 G CA -0.461 44.667 45.100 0.046 0.000 0.944 2765 G HN 0.529 nan 8.290 nan 0.000 0.495 2766 D N -0.394 120.034 120.400 0.047 0.000 2.350 2766 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 2766 D C -0.250 176.076 176.300 0.044 0.000 1.036 2766 D CA 0.067 54.093 54.000 0.045 0.000 0.848 2766 D CB 1.971 42.794 40.800 0.039 0.000 1.307 2766 D HN 0.592 nan 8.370 nan 0.000 0.469 2767 A N 0.303 123.151 122.820 0.046 0.000 2.488 2767 A HA 0.622 4.942 4.320 -0.001 0.000 0.298 2767 A C 0.961 178.567 177.584 0.037 0.000 1.044 2767 A CA -0.413 51.650 52.037 0.045 0.000 0.693 2767 A CB 1.614 20.655 19.000 0.069 0.000 1.272 2767 A HN 0.487 nan 8.150 nan 0.000 0.402 2768 G N 0.328 109.143 108.800 0.025 0.000 2.408 2768 G HA2 0.300 4.259 3.960 -0.001 0.000 0.217 2768 G HA3 0.300 4.259 3.960 -0.001 0.000 0.217 2768 G C 0.284 175.200 174.900 0.026 0.000 1.150 2768 G CA 1.651 46.762 45.100 0.018 0.000 0.776 2768 G HN 1.220 nan 8.290 nan 0.000 0.542 2769 L N 0.120 121.367 121.223 0.039 0.000 2.562 2769 L HA 0.584 4.923 4.340 -0.001 0.000 0.266 2769 L C -1.332 175.584 176.870 0.077 0.000 0.949 2769 L CA -0.733 54.135 54.840 0.047 0.000 0.879 2769 L CB 2.420 44.499 42.059 0.033 0.000 1.278 2769 L HN -0.148 nan 8.230 nan 0.000 0.404 2770 V N 4.494 124.459 119.914 0.084 0.000 2.334 2770 V HA 0.625 4.744 4.120 -0.001 0.000 0.281 2770 V C -0.364 175.792 176.094 0.103 0.000 1.016 2770 V CA -0.426 61.947 62.300 0.121 0.000 0.832 2770 V CB 1.390 33.295 31.823 0.136 0.000 0.999 2770 V HN 0.823 nan 8.190 nan 0.000 0.439 2771 E N 3.268 123.551 120.200 0.138 0.000 2.292 2771 E HA 0.389 4.738 4.350 -0.001 0.000 0.272 2771 E C -0.880 175.820 176.600 0.166 0.000 0.881 2771 E CA -0.681 55.784 56.400 0.108 0.000 0.754 2771 E CB 2.065 31.799 29.700 0.057 0.000 1.201 2771 E HN 0.742 nan 8.360 nan 0.000 0.425 2772 E N 4.422 124.690 120.200 0.114 0.000 2.129 2772 E HA 0.199 4.549 4.350 -0.001 0.000 0.283 2772 E C -0.865 175.800 176.600 0.110 0.000 1.080 2772 E CA -0.158 56.319 56.400 0.128 0.000 0.867 2772 E CB 0.601 30.344 29.700 0.072 0.000 1.056 2772 E HN 0.346 nan 8.360 nan 0.000 0.404 2773 R N 3.598 124.208 120.500 0.183 0.000 2.750 2773 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 2773 R C -0.681 175.708 176.300 0.149 0.000 0.972 2773 R CA -0.924 55.229 56.100 0.088 0.000 0.912 2773 R CB 1.968 32.186 30.300 -0.137 0.000 1.187 2773 R HN 0.328 nan 8.270 nan 0.000 0.464 2774 K N 1.972 122.415 120.400 0.071 0.000 2.159 2774 K HA 0.459 4.778 4.320 -0.001 0.000 0.266 2774 K C -0.756 175.888 176.600 0.073 0.000 0.975 2774 K CA -0.459 55.872 56.287 0.073 0.000 0.865 2774 K CB 1.737 34.260 32.500 0.038 0.000 1.087 2774 K HN 0.435 nan 8.250 nan 0.000 0.446 2775 I N 1.411 122.036 120.570 0.091 0.000 2.468 2775 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 2775 I C -0.635 175.513 176.117 0.051 0.000 1.039 2775 I CA -0.018 61.330 61.300 0.080 0.000 1.074 2775 I CB 1.325 39.404 38.000 0.132 0.000 1.228 2775 I HN 0.700 nan 8.210 nan 0.000 0.436 2776 S N 4.743 120.463 115.700 0.033 0.000 3.587 2776 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 2776 S C 1.070 175.681 174.600 0.019 0.000 1.119 2776 S CA 1.182 59.395 58.200 0.021 0.000 0.976 2776 S CB -1.612 61.599 63.200 0.018 0.000 0.922 2776 S HN 1.594 nan 8.310 nan 0.000 0.503 2777 G N 0.089 108.902 108.800 0.022 0.000 2.284 2777 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.230 2777 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.230 2777 G C -0.416 174.499 174.900 0.026 0.000 1.021 2777 G CA 0.123 45.235 45.100 0.020 0.000 0.619 2777 G HN 0.596 nan 8.290 nan 0.000 0.510 2778 D N 1.261 121.680 120.400 0.031 0.000 2.308 2778 D HA 0.471 5.111 4.640 -0.001 0.000 0.251 2778 D C 0.302 176.635 176.300 0.054 0.000 1.127 2778 D CA 0.497 54.517 54.000 0.034 0.000 0.876 2778 D CB 1.614 42.429 40.800 0.025 0.000 1.176 2778 D HN 0.197 nan 8.370 nan 0.000 0.446 2779 S N 2.909 118.638 115.700 0.048 0.000 2.481 2779 S HA 0.400 4.869 4.470 -0.001 0.000 0.276 2779 S C -0.229 174.413 174.600 0.070 0.000 1.247 2779 S CA -0.401 57.839 58.200 0.066 0.000 1.053 2779 S CB 0.036 63.264 63.200 0.047 0.000 0.925 2779 S HN 0.314 nan 8.310 nan 0.000 0.491 2780 M N 4.473 124.143 119.600 0.117 0.000 2.619 2780 M HA 0.532 5.012 4.480 -0.001 0.000 0.297 2780 M C -1.070 175.304 176.300 0.124 0.000 1.229 2780 M CA -0.637 54.700 55.300 0.063 0.000 0.860 2780 M CB 2.153 34.737 32.600 -0.026 0.000 1.741 2780 M HN 0.438 nan 8.290 nan 0.000 0.462 2781 I N 1.686 122.268 120.570 0.021 0.000 2.339 2781 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 2781 I C -1.346 174.753 176.117 -0.030 0.000 0.994 2781 I CA -0.368 61.001 61.300 0.116 0.000 1.191 2781 I CB 0.933 39.035 38.000 0.170 0.000 1.343 2781 I HN 0.437 nan 8.210 nan 0.000 0.458 2782 F N 5.971 125.958 119.950 0.061 0.000 2.385 2782 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 2782 F C 0.093 175.926 175.800 0.056 0.000 1.122 2782 F CA -0.771 57.255 58.000 0.044 0.000 1.090 2782 F CB 1.360 40.376 39.000 0.027 0.000 1.150 2782 F HN 0.016 nan 8.300 nan 0.000 0.472 2783 V N 4.423 124.431 119.914 0.157 0.000 2.311 2783 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 2783 V C -0.299 175.852 176.094 0.094 0.000 1.022 2783 V CA -0.534 61.837 62.300 0.117 0.000 0.830 2783 V CB 0.567 32.425 31.823 0.057 0.000 1.012 2783 V HN 0.839 nan 8.190 nan 0.000 0.452 2784 E N 3.139 123.397 120.200 0.097 0.000 2.446 2784 E HA 0.622 4.971 4.350 -0.001 0.000 0.276 2784 E C -0.669 175.957 176.600 0.044 0.000 0.969 2784 E CA -0.877 55.566 56.400 0.072 0.000 0.800 2784 E CB 1.680 31.434 29.700 0.091 0.000 1.341 2784 E HN 0.220 nan 8.360 nan 0.000 0.460 2785 E N -1.202 119.012 120.200 0.023 0.000 3.181 2785 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 2785 E C -0.552 176.042 176.600 -0.009 0.000 0.936 2785 E CA 0.748 57.150 56.400 0.002 0.000 0.975 2785 E CB -2.398 27.306 29.700 0.006 0.000 1.496 2785 E HN 0.593 nan 8.360 nan 0.000 0.429 2786 C N 0.965 120.262 119.300 -0.005 0.000 2.689 2786 C HA 0.068 4.528 4.460 -0.001 0.000 0.409 2786 C C 2.304 177.257 174.990 -0.061 0.000 1.293 2786 C CA -0.029 58.983 59.018 -0.011 0.000 2.136 2786 C CB 0.420 28.163 27.740 0.005 0.000 2.719 2786 C HN 0.355 nan 8.230 nan 0.000 0.644 2787 K N 0.416 120.773 120.400 -0.072 0.000 2.001 2787 K HA -0.133 4.187 4.320 -0.001 0.000 0.214 2787 K C 0.064 176.375 176.600 -0.481 0.000 1.050 2787 K CA 1.784 57.938 56.287 -0.221 0.000 0.934 2787 K CB -0.137 32.325 32.500 -0.065 0.000 0.718 2787 K HN 0.732 nan 8.250 nan 0.000 0.443 2788 H N -0.403 118.671 119.070 0.007 0.000 2.488 2788 H HA 0.202 4.757 4.556 -0.001 0.000 0.237 2788 H C -2.591 172.738 175.328 0.002 0.000 1.395 2788 H CA -1.752 54.299 56.048 0.005 0.000 1.491 2788 H CB 0.699 30.463 29.762 0.003 0.000 1.567 2788 H HN 0.121 nan 8.280 nan 0.000 0.508 2789 P HA 0.063 nan 4.420 nan 0.000 0.271 2789 P C 0.147 177.471 177.300 0.040 0.000 1.220 2789 P CA -0.518 62.604 63.100 0.037 0.000 0.768 2789 P CB 1.570 33.279 31.700 0.015 0.000 0.848 2790 K N 1.050 121.467 120.400 0.027 0.000 2.399 2790 K HA 0.459 4.778 4.320 -0.001 0.000 0.204 2790 K C 0.373 176.975 176.600 0.004 0.000 1.023 2790 K CA -0.291 56.007 56.287 0.019 0.000 1.127 2790 K CB 0.494 33.003 32.500 0.015 0.000 0.856 2790 K HN 0.542 nan 8.250 nan 0.000 0.514 2791 A N 0.514 123.334 122.820 -0.002 0.000 2.486 2791 A HA 0.662 4.982 4.320 -0.001 0.000 0.300 2791 A C -0.597 176.981 177.584 -0.010 0.000 1.048 2791 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 2791 A CB 1.475 20.458 19.000 -0.027 0.000 1.278 2791 A HN -0.040 nan 8.150 nan 0.000 0.405 2792 V N -1.089 118.819 119.914 -0.010 0.000 3.074 2792 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 2792 V C -0.434 175.651 176.094 -0.014 0.000 1.117 2792 V CA -0.578 61.718 62.300 -0.006 0.000 1.014 2792 V CB 1.714 33.538 31.823 0.003 0.000 1.057 2792 V HN 0.852 nan 8.190 nan 0.000 0.438 2793 T N 4.096 118.644 114.554 -0.010 0.000 2.841 2793 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 2793 T C -0.516 174.182 174.700 -0.003 0.000 0.991 2793 T CA -0.212 61.875 62.100 -0.021 0.000 0.966 2793 T CB 1.346 70.185 68.868 -0.049 0.000 0.962 2793 T HN 0.957 nan 8.240 nan 0.000 0.438 2794 M N 4.894 124.490 119.600 -0.006 0.000 2.063 2794 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 2794 M C -1.155 175.147 176.300 0.003 0.000 1.180 2794 M CA -0.709 54.593 55.300 0.004 0.000 1.059 2794 M CB 0.276 32.877 32.600 0.002 0.000 1.544 2794 M HN 0.532 nan 8.290 nan 0.000 0.447 2795 L N 7.305 128.540 121.223 0.019 0.000 2.259 2795 L HA 0.467 4.806 4.340 -0.001 0.000 0.288 2795 L C -1.043 175.842 176.870 0.025 0.000 1.051 2795 L CA -0.411 54.444 54.840 0.025 0.000 0.824 2795 L CB 0.443 42.541 42.059 0.064 0.000 1.206 2795 L HN 0.755 nan 8.230 nan 0.000 0.429 2796 I N 5.533 126.111 120.570 0.014 0.000 2.325 2796 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 2796 I C 0.226 176.352 176.117 0.014 0.000 1.019 2796 I CA -0.304 61.004 61.300 0.013 0.000 1.302 2796 I CB 0.861 38.866 38.000 0.007 0.000 1.401 2796 I HN 0.578 nan 8.210 nan 0.000 0.485 2797 R N 4.030 124.540 120.500 0.016 0.000 2.828 2797 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 2797 R C -0.239 176.068 176.300 0.012 0.000 1.022 2797 R CA -0.975 55.134 56.100 0.016 0.000 1.021 2797 R CB 2.155 32.467 30.300 0.020 0.000 1.163 2797 R HN 0.831 nan 8.270 nan 0.000 0.494 2798 G N -0.905 107.901 108.800 0.010 0.000 2.340 2798 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.298 2798 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.298 2798 G C -0.090 174.814 174.900 0.007 0.000 1.498 2798 G CA -0.479 44.627 45.100 0.010 0.000 0.847 2798 G HN 0.413 nan 8.290 nan 0.000 0.594 2799 T N -0.670 113.890 114.554 0.010 0.000 2.995 2799 T HA 0.279 4.628 4.350 -0.001 0.000 0.269 2799 T C 0.783 175.486 174.700 0.006 0.000 1.091 2799 T CA 2.170 64.276 62.100 0.009 0.000 1.128 2799 T CB -0.219 68.657 68.868 0.013 0.000 0.891 2799 T HN 0.701 nan 8.240 nan 0.000 0.492 2800 T N 1.030 115.588 114.554 0.006 0.000 2.956 2800 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 2800 T C 0.275 174.960 174.700 -0.026 0.000 1.151 2800 T CA -0.776 61.322 62.100 -0.004 0.000 1.024 2800 T CB 2.165 71.050 68.868 0.029 0.000 1.140 2800 T HN -0.108 nan 8.240 nan 0.000 0.473 2801 E N 1.013 121.157 120.200 -0.094 0.000 2.070 2801 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 2801 E C 1.667 178.192 176.600 -0.125 0.000 1.004 2801 E CA 1.672 57.981 56.400 -0.151 0.000 0.805 2801 E CB -0.071 29.470 29.700 -0.266 0.000 0.744 2801 E HN 0.560 nan 8.360 nan 0.000 0.451 2802 H N -0.239 118.834 119.070 0.005 0.000 2.491 2802 H HA -0.009 4.546 4.556 -0.001 0.000 0.290 2802 H C 2.265 177.596 175.328 0.005 0.000 1.050 2802 H CA 0.613 56.664 56.048 0.004 0.000 1.309 2802 H CB -0.039 29.725 29.762 0.004 0.000 1.392 2802 H HN -0.009 nan 8.280 nan 0.000 0.554 2803 V N 1.893 121.873 119.914 0.109 0.000 2.323 2803 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 2803 V C 2.581 178.701 176.094 0.044 0.000 1.041 2803 V CA 1.603 63.942 62.300 0.065 0.000 1.025 2803 V CB -0.454 31.396 31.823 0.046 0.000 0.656 2803 V HN 0.413 nan 8.190 nan 0.000 0.451 2804 I N -1.906 118.681 120.570 0.028 0.000 3.111 2804 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 2804 I C 2.061 178.189 176.117 0.019 0.000 1.268 2804 I CA 1.216 62.526 61.300 0.017 0.000 1.467 2804 I CB -0.556 37.446 38.000 0.004 0.000 1.087 2804 I HN 0.279 nan 8.210 nan 0.000 0.467 2805 E N 1.534 121.753 120.200 0.032 0.000 2.106 2805 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 2805 E C 1.960 178.583 176.600 0.039 0.000 0.984 2805 E CA 1.114 57.539 56.400 0.042 0.000 0.806 2805 E CB 0.040 29.790 29.700 0.082 0.000 0.750 2805 E HN 0.538 nan 8.360 nan 0.000 0.458 2806 E N 0.330 120.556 120.200 0.043 0.000 2.107 2806 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 2806 E C 2.316 178.931 176.600 0.025 0.000 0.982 2806 E CA 0.553 56.973 56.400 0.032 0.000 0.809 2806 E CB -0.043 29.678 29.700 0.034 0.000 0.756 2806 E HN 0.126 nan 8.360 nan 0.000 0.459 2807 V N 1.840 121.769 119.914 0.024 0.000 2.358 2807 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 2807 V C 2.499 178.601 176.094 0.014 0.000 1.047 2807 V CA 1.724 64.035 62.300 0.018 0.000 1.035 2807 V CB -0.886 30.947 31.823 0.017 0.000 0.658 2807 V HN 0.223 nan 8.190 nan 0.000 0.452 2808 A N 0.441 123.269 122.820 0.013 0.000 1.892 2808 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 2808 A C 2.318 179.907 177.584 0.009 0.000 1.188 2808 A CA 2.479 54.521 52.037 0.009 0.000 0.631 2808 A CB -0.549 18.455 19.000 0.007 0.000 0.822 2808 A HN 0.467 nan 8.150 nan 0.000 0.447 2809 R N -0.070 120.437 120.500 0.012 0.000 2.090 2809 R HA 0.070 4.409 4.340 -0.001 0.000 0.228 2809 R C 2.161 178.467 176.300 0.011 0.000 1.110 2809 R CA 1.758 57.864 56.100 0.011 0.000 0.973 2809 R CB -0.882 29.425 30.300 0.012 0.000 0.869 2809 R HN 0.390 nan 8.270 nan 0.000 0.440 2810 A N 0.143 122.971 122.820 0.013 0.000 1.908 2810 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 2810 A C 2.161 179.752 177.584 0.012 0.000 1.181 2810 A CA 1.972 54.018 52.037 0.014 0.000 0.627 2810 A CB -0.852 18.158 19.000 0.017 0.000 0.818 2810 A HN 0.314 nan 8.150 nan 0.000 0.445 2811 V N -2.280 117.639 119.914 0.010 0.000 2.951 2811 V HA -0.046 4.074 4.120 -0.001 0.000 0.255 2811 V C 1.776 177.873 176.094 0.006 0.000 1.088 2811 V CA 2.140 64.444 62.300 0.008 0.000 1.109 2811 V CB -0.665 31.162 31.823 0.007 0.000 0.724 2811 V HN 0.452 nan 8.190 nan 0.000 0.471 2812 D N 1.154 121.557 120.400 0.005 0.000 2.178 2812 D HA -0.189 4.450 4.640 -0.001 0.000 0.201 2812 D C 1.682 177.985 176.300 0.004 0.000 0.980 2812 D CA 1.776 55.778 54.000 0.004 0.000 0.842 2812 D CB -0.043 40.759 40.800 0.003 0.000 0.948 2812 D HN 0.514 nan 8.370 nan 0.000 0.472 2813 D N -0.513 119.891 120.400 0.006 0.000 2.149 2813 D HA 0.035 4.674 4.640 -0.001 0.000 0.206 2813 D C 2.042 178.346 176.300 0.007 0.000 0.967 2813 D CA 1.253 55.257 54.000 0.007 0.000 0.848 2813 D CB -0.611 40.194 40.800 0.009 0.000 0.998 2813 D HN 0.253 nan 8.370 nan 0.000 0.474 2814 A N 0.849 123.674 122.820 0.008 0.000 1.908 2814 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 2814 A C 2.368 179.956 177.584 0.006 0.000 1.181 2814 A CA 1.424 53.466 52.037 0.008 0.000 0.627 2814 A CB -0.923 18.081 19.000 0.008 0.000 0.818 2814 A HN 0.188 nan 8.150 nan 0.000 0.445 2815 V N -0.154 119.763 119.914 0.005 0.000 2.759 2815 V HA -0.073 4.047 4.120 -0.001 0.000 0.256 2815 V C 2.259 178.355 176.094 0.004 0.000 1.080 2815 V CA 2.113 64.415 62.300 0.004 0.000 1.101 2815 V CB -0.615 31.209 31.823 0.003 0.000 0.698 2815 V HN 0.570 nan 8.190 nan 0.000 0.477 2816 G N -0.242 108.561 108.800 0.004 0.000 2.395 2816 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 2816 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 2816 G C 1.615 176.518 174.900 0.005 0.000 1.177 2816 G CA 1.219 46.321 45.100 0.004 0.000 0.794 2816 G HN 0.660 nan 8.290 nan 0.000 0.532 2817 V N -1.078 118.839 119.914 0.006 0.000 2.871 2817 V HA 0.003 4.123 4.120 -0.001 0.000 0.256 2817 V C 2.573 178.671 176.094 0.006 0.000 1.082 2817 V CA 1.194 63.498 62.300 0.007 0.000 1.105 2817 V CB -0.359 31.469 31.823 0.008 0.000 0.713 2817 V HN 0.114 nan 8.190 nan 0.000 0.473 2818 V N 2.013 121.930 119.914 0.006 0.000 2.379 2818 V HA -0.005 4.115 4.120 -0.001 0.000 0.245 2818 V C 2.919 179.016 176.094 0.005 0.000 1.044 2818 V CA 2.124 64.427 62.300 0.005 0.000 1.036 2818 V CB -1.315 30.511 31.823 0.004 0.000 0.664 2818 V HN 0.605 nan 8.190 nan 0.000 0.453 2819 G N -1.366 107.436 108.800 0.005 0.000 2.418 2819 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.217 2819 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.217 2819 G C 1.887 176.790 174.900 0.005 0.000 1.158 2819 G CA 1.200 46.303 45.100 0.004 0.000 0.771 2819 G HN 0.529 nan 8.290 nan 0.000 0.545 2820 C N 0.533 119.837 119.300 0.005 0.000 2.429 2820 C HA -0.021 4.438 4.460 -0.001 0.000 0.277 2820 C C 3.151 178.145 174.990 0.007 0.000 1.262 2820 C CA 2.001 61.023 59.018 0.006 0.000 1.733 2820 C CB -1.051 26.693 27.740 0.007 0.000 2.010 2820 C HN 0.400 nan 8.230 nan 0.000 0.483 2821 T N 1.017 115.575 114.554 0.007 0.000 2.833 2821 T HA -0.088 4.261 4.350 -0.001 0.000 0.269 2821 T C 1.570 176.274 174.700 0.006 0.000 1.054 2821 T CA 1.813 63.917 62.100 0.007 0.000 1.135 2821 T CB -0.247 68.625 68.868 0.006 0.000 0.869 2821 T HN 0.590 nan 8.240 nan 0.000 0.466 2822 I N 0.632 121.205 120.570 0.005 0.000 2.286 2822 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 2822 I C 2.538 178.658 176.117 0.005 0.000 1.104 2822 I CA 1.203 62.506 61.300 0.005 0.000 1.397 2822 I CB -0.254 37.749 38.000 0.005 0.000 1.072 2822 I HN 0.262 nan 8.210 nan 0.000 0.417 2823 E N 0.163 120.366 120.200 0.005 0.000 2.152 2823 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 2823 E C -0.114 176.490 176.600 0.006 0.000 0.983 2823 E CA 0.700 57.103 56.400 0.005 0.000 0.818 2823 E CB 0.220 29.924 29.700 0.005 0.000 0.758 2823 E HN 0.375 nan 8.360 nan 0.000 0.467 2824 D N -0.533 119.871 120.400 0.007 0.000 2.505 2824 D HA 0.140 4.779 4.640 -0.001 0.000 0.250 2824 D C -0.059 176.245 176.300 0.008 0.000 1.164 2824 D CA -0.165 53.840 54.000 0.008 0.000 0.870 2824 D CB 1.720 42.525 40.800 0.009 0.000 1.160 2824 D HN 0.085 nan 8.370 nan 0.000 0.549 2825 G N 2.061 110.866 108.800 0.008 0.000 3.279 2825 G HA2 0.004 3.964 3.960 -0.001 0.000 0.230 2825 G HA3 0.004 3.964 3.960 -0.001 0.000 0.230 2825 G C 0.616 175.521 174.900 0.009 0.000 1.230 2825 G CA -0.095 45.009 45.100 0.007 0.000 0.891 2825 G HN 0.096 nan 8.290 nan 0.000 0.518 2826 R N -0.068 120.438 120.500 0.010 0.000 2.437 2826 R HA 0.608 4.947 4.340 -0.001 0.000 0.310 2826 R C -0.477 175.830 176.300 0.012 0.000 0.955 2826 R CA -0.574 55.533 56.100 0.012 0.000 0.851 2826 R CB 1.519 31.827 30.300 0.013 0.000 1.161 2826 R HN 0.305 nan 8.270 nan 0.000 0.446 2827 I N -0.195 120.383 120.570 0.013 0.000 3.042 2827 I HA 0.843 5.012 4.170 -0.001 0.000 0.310 2827 I C -0.547 175.580 176.117 0.016 0.000 1.117 2827 I CA -1.245 60.063 61.300 0.013 0.000 1.003 2827 I CB 2.161 40.168 38.000 0.011 0.000 1.228 2827 I HN 0.315 nan 8.210 nan 0.000 0.443 2828 V N 0.144 120.068 119.914 0.018 0.000 3.130 2828 V HA 0.839 4.959 4.120 -0.001 0.000 0.310 2828 V C 0.072 176.180 176.094 0.023 0.000 1.158 2828 V CA -0.405 61.908 62.300 0.022 0.000 1.029 2828 V CB 1.161 32.999 31.823 0.024 0.000 1.057 2828 V HN 1.156 nan 8.190 nan 0.000 0.436 2829 S N 1.518 117.234 115.700 0.028 0.000 2.576 2829 S HA 0.700 5.170 4.470 -0.001 0.000 0.276 2829 S C 0.488 175.106 174.600 0.031 0.000 1.339 2829 S CA 0.154 58.372 58.200 0.030 0.000 1.039 2829 S CB 0.898 64.120 63.200 0.037 0.000 0.902 2829 S HN 1.803 nan 8.310 nan 0.000 0.516 2830 G N 0.068 108.887 108.800 0.031 0.000 2.641 2830 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 2830 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 2830 G C 0.893 175.812 174.900 0.031 0.000 1.402 2830 G CA -0.563 44.554 45.100 0.029 0.000 1.046 2830 G HN 2.025 nan 8.290 nan 0.000 0.565 2831 G N -2.225 106.592 108.800 0.029 0.000 2.155 2831 G HA2 0.236 4.196 3.960 -0.001 0.000 0.257 2831 G HA3 0.236 4.196 3.960 -0.001 0.000 0.257 2831 G C 1.460 176.362 174.900 0.003 0.000 0.983 2831 G CA 1.159 46.273 45.100 0.025 0.000 0.676 2831 G HN 2.515 nan 8.290 nan 0.000 0.528 2832 G N -1.292 107.502 108.800 -0.009 0.000 2.157 2832 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 2832 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 2832 G C 1.417 176.287 174.900 -0.049 0.000 0.979 2832 G CA 1.654 46.733 45.100 -0.036 0.000 0.650 2832 G HN 1.938 nan 8.290 nan 0.000 0.529 2833 S N 0.057 115.753 115.700 -0.007 0.000 2.368 2833 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 2833 S C 2.800 177.391 174.600 -0.016 0.000 1.030 2833 S CA 2.802 61.017 58.200 0.026 0.000 0.999 2833 S CB -0.528 62.739 63.200 0.112 0.000 0.844 2833 S HN 1.409 nan 8.310 nan 0.000 0.459 2834 T N -0.393 114.161 114.554 0.001 0.000 2.701 2834 T HA -0.047 4.303 4.350 -0.001 0.000 0.263 2834 T C 1.565 176.230 174.700 -0.058 0.000 1.040 2834 T CA 1.542 63.642 62.100 -0.001 0.000 1.147 2834 T CB -0.874 67.999 68.868 0.008 0.000 0.865 2834 T HN 0.405 nan 8.240 nan 0.000 0.426 2835 E N 1.051 121.205 120.200 -0.076 0.000 2.130 2835 E HA -0.076 4.274 4.350 -0.001 0.000 0.196 2835 E C 2.289 178.797 176.600 -0.153 0.000 0.998 2835 E CA 1.074 57.411 56.400 -0.105 0.000 0.806 2835 E CB -0.764 28.876 29.700 -0.101 0.000 0.738 2835 E HN 0.434 nan 8.360 nan 0.000 0.459 2836 V N 0.436 120.212 119.914 -0.230 0.000 2.323 2836 V HA -0.221 3.899 4.120 -0.001 0.000 0.244 2836 V C 2.285 178.140 176.094 -0.399 0.000 1.041 2836 V CA 1.840 63.924 62.300 -0.360 0.000 1.025 2836 V CB -0.436 31.054 31.823 -0.555 0.000 0.656 2836 V HN 0.212 nan 8.190 nan 0.000 0.451 2837 E N 0.620 120.579 120.200 -0.402 0.000 2.097 2837 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 2837 E C 2.033 178.599 176.600 -0.057 0.000 1.000 2837 E CA 1.716 58.082 56.400 -0.056 0.000 0.804 2837 E CB -0.399 29.382 29.700 0.135 0.000 0.740 2837 E HN 0.557 nan 8.360 nan 0.000 0.454 2838 L N -0.148 121.031 121.223 -0.072 0.000 2.056 2838 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 2838 L C 2.542 179.364 176.870 -0.080 0.000 1.078 2838 L CA 1.271 56.077 54.840 -0.056 0.000 0.749 2838 L CB -0.391 41.652 42.059 -0.027 0.000 0.901 2838 L HN 0.111 nan 8.230 nan 0.000 0.433 2839 S N -0.562 115.079 115.700 -0.099 0.000 2.382 2839 S HA -0.147 4.322 4.470 -0.001 0.000 0.228 2839 S C 2.015 176.560 174.600 -0.091 0.000 1.027 2839 S CA 1.224 59.369 58.200 -0.091 0.000 0.991 2839 S CB -0.109 63.028 63.200 -0.104 0.000 0.823 2839 S HN 0.270 nan 8.310 nan 0.000 0.469 2840 M N 1.383 120.925 119.600 -0.097 0.000 2.064 2840 M HA -0.049 4.430 4.480 -0.001 0.000 0.260 2840 M C 2.042 178.258 176.300 -0.140 0.000 1.073 2840 M CA 1.608 56.861 55.300 -0.077 0.000 1.124 2840 M CB -1.105 31.485 32.600 -0.018 0.000 1.326 2840 M HN 0.225 nan 8.290 nan 0.000 0.410 2841 K N 0.251 120.522 120.400 -0.216 0.000 2.103 2841 K HA 0.002 4.322 4.320 -0.001 0.000 0.204 2841 K C 2.061 178.149 176.600 -0.854 0.000 1.052 2841 K CA 0.871 56.867 56.287 -0.486 0.000 0.945 2841 K CB -0.177 32.050 32.500 -0.455 0.000 0.722 2841 K HN 0.261 nan 8.250 nan 0.000 0.443 2842 L N 0.536 121.466 121.223 -0.488 0.000 2.201 2842 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 2842 L C 2.340 179.153 176.870 -0.096 0.000 1.105 2842 L CA 0.965 55.648 54.840 -0.262 0.000 0.775 2842 L CB -0.276 41.778 42.059 -0.010 0.000 0.913 2842 L HN 0.129 nan 8.230 nan 0.000 0.440 2843 R N 0.042 120.483 120.500 -0.098 0.000 2.115 2843 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 2843 R C 2.082 178.379 176.300 -0.005 0.000 1.111 2843 R CA 1.220 57.304 56.100 -0.027 0.000 0.976 2843 R CB -0.126 30.157 30.300 -0.028 0.000 0.870 2843 R HN 0.463 nan 8.270 nan 0.000 0.445 2844 E N -0.522 119.647 120.200 -0.051 0.000 2.107 2844 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 2844 E C 1.575 178.296 176.600 0.202 0.000 0.982 2844 E CA 0.809 57.235 56.400 0.044 0.000 0.809 2844 E CB 0.015 29.728 29.700 0.023 0.000 0.756 2844 E HN 0.319 nan 8.360 nan 0.000 0.459 2845 Y N 0.655 120.970 120.300 0.026 0.000 2.224 2845 Y HA -0.087 4.462 4.550 -0.001 0.000 0.289 2845 Y C 2.399 178.311 175.900 0.019 0.000 1.146 2845 Y CA 0.588 58.700 58.100 0.020 0.000 1.182 2845 Y CB -1.158 37.314 38.460 0.020 0.000 0.983 2845 Y HN 0.033 nan 8.280 nan 0.000 0.524 2846 A N 0.267 123.198 122.820 0.186 0.000 1.940 2846 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 2846 A C 2.175 179.810 177.584 0.085 0.000 1.176 2846 A CA 1.672 53.778 52.037 0.114 0.000 0.631 2846 A CB -0.394 18.661 19.000 0.092 0.000 0.814 2846 A HN 0.318 nan 8.150 nan 0.000 0.446 2847 E N -0.546 119.704 120.200 0.084 0.000 2.106 2847 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 2847 E C 2.147 178.780 176.600 0.055 0.000 0.984 2847 E CA 1.138 57.575 56.400 0.062 0.000 0.806 2847 E CB -0.610 29.124 29.700 0.058 0.000 0.750 2847 E HN 0.595 nan 8.360 nan 0.000 0.458 2848 G N 0.918 109.759 108.800 0.069 0.000 2.430 2848 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.216 2848 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.216 2848 G C 1.742 176.658 174.900 0.027 0.000 1.146 2848 G CA 0.162 45.288 45.100 0.043 0.000 0.793 2848 G HN 0.142 nan 8.290 nan 0.000 0.537 2849 I N -0.105 120.487 120.570 0.037 0.000 2.163 2849 I HA -0.025 4.145 4.170 -0.001 0.000 0.240 2849 I C 1.762 177.890 176.117 0.019 0.000 1.081 2849 I CA 0.831 62.145 61.300 0.023 0.000 1.353 2849 I CB -0.306 37.715 38.000 0.034 0.000 1.054 2849 I HN 0.308 nan 8.210 nan 0.000 0.407 2850 S N -1.138 114.579 115.700 0.028 0.000 3.633 2850 S HA -0.118 4.351 4.470 -0.001 0.000 0.637 2850 S C 0.448 175.059 174.600 0.017 0.000 2.289 2850 S CA 0.755 58.968 58.200 0.022 0.000 2.476 2850 S CB -1.419 61.791 63.200 0.016 0.000 0.330 2850 S HN 1.458 nan 8.310 nan 0.000 1.787 2851 G N 0.665 109.473 108.800 0.013 0.000 2.601 2851 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 2851 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 2851 G C 0.329 175.236 174.900 0.011 0.000 1.289 2851 G CA 0.967 46.072 45.100 0.008 0.000 0.920 2851 G HN 1.090 nan 8.290 nan 0.000 0.571 2852 R N 0.213 120.717 120.500 0.007 0.000 2.115 2852 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 2852 R C 2.535 178.842 176.300 0.011 0.000 1.100 2852 R CA 1.373 57.479 56.100 0.010 0.000 0.980 2852 R CB -0.235 30.069 30.300 0.007 0.000 0.875 2852 R HN 0.716 nan 8.270 nan 0.000 0.445 2853 E N 0.951 121.155 120.200 0.007 0.000 2.171 2853 E HA -0.263 4.087 4.350 -0.001 0.000 0.197 2853 E C 2.059 178.677 176.600 0.030 0.000 0.997 2853 E CA 1.078 57.483 56.400 0.008 0.000 0.810 2853 E CB 0.100 29.801 29.700 0.001 0.000 0.738 2853 E HN 0.205 nan 8.360 nan 0.000 0.467 2854 Q N 0.596 120.416 119.800 0.035 0.000 2.226 2854 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 2854 Q C 2.146 178.184 176.000 0.063 0.000 0.975 2854 Q CA 0.923 56.757 55.803 0.051 0.000 0.866 2854 Q CB -0.068 28.696 28.738 0.043 0.000 0.915 2854 Q HN 0.430 nan 8.270 nan 0.000 0.440 2855 L N 0.052 121.307 121.223 0.053 0.000 2.027 2855 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 2855 L C 2.607 179.535 176.870 0.096 0.000 1.074 2855 L CA 1.271 56.147 54.840 0.060 0.000 0.745 2855 L CB -0.658 41.424 42.059 0.039 0.000 0.898 2855 L HN 0.167 nan 8.230 nan 0.000 0.433 2856 A N -0.552 122.323 122.820 0.092 0.000 1.929 2856 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 2856 A C 2.312 180.098 177.584 0.336 0.000 1.176 2856 A CA 1.282 53.419 52.037 0.166 0.000 0.628 2856 A CB -0.680 18.303 19.000 -0.029 0.000 0.816 2856 A HN 0.178 nan 8.150 nan 0.000 0.444 2857 V N 0.135 120.175 119.914 0.209 0.000 2.343 2857 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 2857 V C 2.672 178.896 176.094 0.217 0.000 1.051 2857 V CA 2.327 64.747 62.300 0.200 0.000 1.036 2857 V CB -0.789 31.101 31.823 0.112 0.000 0.654 2857 V HN 0.622 nan 8.190 nan 0.000 0.451 2858 R N 1.129 121.725 120.500 0.160 0.000 2.081 2858 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 2858 R C 2.158 178.532 176.300 0.123 0.000 1.131 2858 R CA 1.922 58.093 56.100 0.118 0.000 0.960 2858 R CB -0.992 29.357 30.300 0.081 0.000 0.856 2858 R HN 0.431 nan 8.270 nan 0.000 0.436 2859 A N -0.455 122.464 122.820 0.165 0.000 1.933 2859 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 2859 A C 2.157 179.808 177.584 0.111 0.000 1.175 2859 A CA 1.332 53.460 52.037 0.151 0.000 0.628 2859 A CB -0.840 18.291 19.000 0.218 0.000 0.814 2859 A HN 0.486 nan 8.150 nan 0.000 0.444 2860 F N 0.982 120.943 119.950 0.018 0.000 2.075 2860 F HA -0.103 4.424 4.527 -0.001 0.000 0.297 2860 F C 2.536 178.258 175.800 -0.130 0.000 1.113 2860 F CA 1.517 59.401 58.000 -0.195 0.000 1.218 2860 F CB -0.397 38.517 39.000 -0.142 0.000 0.984 2860 F HN 0.245 nan 8.300 nan 0.000 0.472 2861 A N -0.171 122.721 122.820 0.120 0.000 1.902 2861 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 2861 A C 1.888 179.419 177.584 -0.089 0.000 1.181 2861 A CA 1.964 54.010 52.037 0.014 0.000 0.623 2861 A CB -0.977 18.064 19.000 0.069 0.000 0.818 2861 A HN 0.457 nan 8.150 nan 0.000 0.443 2862 D N 0.020 120.386 120.400 -0.058 0.000 2.219 2862 D HA 0.025 4.664 4.640 -0.001 0.000 0.205 2862 D C 2.116 178.348 176.300 -0.113 0.000 0.970 2862 D CA 1.190 55.149 54.000 -0.067 0.000 0.851 2862 D CB -0.349 40.435 40.800 -0.027 0.000 0.943 2862 D HN 0.426 nan 8.370 nan 0.000 0.488 2863 A N 0.620 123.337 122.820 -0.172 0.000 2.024 2863 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 2863 A C 2.244 179.696 177.584 -0.220 0.000 1.164 2863 A CA 0.766 52.674 52.037 -0.215 0.000 0.643 2863 A CB -0.714 18.086 19.000 -0.333 0.000 0.806 2863 A HN 0.244 nan 8.150 nan 0.000 0.451 2864 L N -0.357 120.720 121.223 -0.243 0.000 2.265 2864 L HA -0.141 4.199 4.340 -0.001 0.000 0.215 2864 L C 2.016 178.800 176.870 -0.142 0.000 1.117 2864 L CA 0.774 55.493 54.840 -0.202 0.000 0.782 2864 L CB -0.454 41.488 42.059 -0.195 0.000 0.914 2864 L HN 0.326 nan 8.230 nan 0.000 0.441 2865 E N -0.323 119.803 120.200 -0.123 0.000 2.409 2865 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 2865 E C 2.181 178.731 176.600 -0.084 0.000 1.024 2865 E CA 0.606 56.949 56.400 -0.095 0.000 0.861 2865 E CB -0.192 29.460 29.700 -0.080 0.000 0.788 2865 E HN 0.306 nan 8.360 nan 0.000 0.521 2866 V N 0.865 120.723 119.914 -0.092 0.000 2.759 2866 V HA -0.187 3.932 4.120 -0.001 0.000 0.256 2866 V C 1.781 177.831 176.094 -0.073 0.000 1.080 2866 V CA 0.911 63.163 62.300 -0.079 0.000 1.101 2866 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 2866 V HN 0.127 nan 8.190 nan 0.000 0.477 2867 I N 0.491 121.013 120.570 -0.080 0.000 2.296 2867 I HA 0.017 4.187 4.170 -0.001 0.000 0.242 2867 I C 0.129 176.208 176.117 -0.063 0.000 1.087 2867 I CA 1.185 62.442 61.300 -0.071 0.000 1.393 2867 I CB -2.735 35.220 38.000 -0.074 0.000 1.093 2867 I HN 0.307 nan 8.210 nan 0.000 0.421 2868 P HA -0.162 nan 4.420 nan 0.000 0.216 2868 P C 1.826 179.094 177.300 -0.053 0.000 1.150 2868 P CA 1.425 64.490 63.100 -0.058 0.000 0.843 2868 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 2869 R N -0.626 119.841 120.500 -0.055 0.000 2.052 2869 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 2869 R C 1.931 178.202 176.300 -0.048 0.000 1.145 2869 R CA 1.995 58.065 56.100 -0.049 0.000 0.952 2869 R CB -1.291 28.980 30.300 -0.049 0.000 0.847 2869 R HN 0.057 nan 8.270 nan 0.000 0.431 2870 T N 2.606 117.130 114.554 -0.051 0.000 2.833 2870 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 2870 T C 1.723 176.391 174.700 -0.054 0.000 1.054 2870 T CA 1.135 63.205 62.100 -0.050 0.000 1.135 2870 T CB -0.218 68.619 68.868 -0.051 0.000 0.869 2870 T HN 0.113 nan 8.240 nan 0.000 0.466 2871 L N 1.609 122.798 121.223 -0.057 0.000 1.994 2871 L HA 0.076 4.415 4.340 -0.001 0.000 0.208 2871 L C 2.618 179.447 176.870 -0.068 0.000 1.071 2871 L CA 2.045 56.846 54.840 -0.065 0.000 0.745 2871 L CB -1.064 40.959 42.059 -0.061 0.000 0.892 2871 L HN 0.206 nan 8.230 nan 0.000 0.431 2872 A N -1.177 121.608 122.820 -0.057 0.000 2.019 2872 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 2872 A C 2.210 179.764 177.584 -0.050 0.000 1.164 2872 A CA 1.649 53.654 52.037 -0.053 0.000 0.644 2872 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 2872 A HN 0.574 nan 8.150 nan 0.000 0.449 2873 E N 0.579 120.750 120.200 -0.048 0.000 2.072 2873 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 2873 E C 1.705 178.277 176.600 -0.047 0.000 0.985 2873 E CA 1.446 57.820 56.400 -0.043 0.000 0.801 2873 E CB -0.162 29.514 29.700 -0.041 0.000 0.750 2873 E HN 0.548 nan 8.360 nan 0.000 0.452 2874 N N -0.052 118.614 118.700 -0.055 0.000 2.309 2874 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 2874 N C 1.273 176.740 175.510 -0.071 0.000 1.018 2874 N CA 1.141 54.154 53.050 -0.061 0.000 0.876 2874 N CB -0.253 38.194 38.487 -0.067 0.000 0.972 2874 N HN 0.246 nan 8.380 nan 0.000 0.434 2875 A N -0.076 122.697 122.820 -0.079 0.000 2.119 2875 A HA 0.314 4.634 4.320 -0.001 0.000 0.216 2875 A C 1.482 179.030 177.584 -0.060 0.000 1.152 2875 A CA 1.034 53.020 52.037 -0.086 0.000 0.708 2875 A CB -0.397 18.546 19.000 -0.096 0.000 0.805 2875 A HN 0.309 nan 8.150 nan 0.000 0.460 2876 G N -1.278 107.493 108.800 -0.048 0.000 2.149 2876 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 2876 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 2876 G C -0.032 174.850 174.900 -0.030 0.000 1.018 2876 G CA 0.342 45.420 45.100 -0.036 0.000 0.728 2876 G HN 0.443 nan 8.290 nan 0.000 0.508 2877 L N -0.213 120.991 121.223 -0.033 0.000 2.387 2877 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 2877 L C 0.541 177.396 176.870 -0.024 0.000 1.059 2877 L CA -1.115 53.709 54.840 -0.027 0.000 0.801 2877 L CB 0.779 42.821 42.059 -0.029 0.000 1.223 2877 L HN 0.100 nan 8.230 nan 0.000 0.456 2878 D N 0.799 121.188 120.400 -0.019 0.000 2.363 2878 D HA 0.085 4.725 4.640 -0.001 0.000 0.263 2878 D C 0.747 177.035 176.300 -0.021 0.000 1.258 2878 D CA 0.171 54.160 54.000 -0.018 0.000 0.907 2878 D CB 1.743 42.535 40.800 -0.014 0.000 1.107 2878 D HN 0.629 nan 8.370 nan 0.000 0.495 2879 A N 5.316 128.123 122.820 -0.023 0.000 1.940 2879 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 2879 A C 2.071 179.640 177.584 -0.024 0.000 1.176 2879 A CA 0.945 52.966 52.037 -0.026 0.000 0.631 2879 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 2879 A HN 0.698 nan 8.150 nan 0.000 0.446 2880 I N -0.710 119.848 120.570 -0.020 0.000 2.296 2880 I HA -0.119 4.051 4.170 -0.001 0.000 0.242 2880 I C 2.436 178.544 176.117 -0.015 0.000 1.087 2880 I CA 1.583 62.872 61.300 -0.018 0.000 1.393 2880 I CB -1.524 36.467 38.000 -0.015 0.000 1.093 2880 I HN 0.562 nan 8.210 nan 0.000 0.421 2881 E N 1.255 121.448 120.200 -0.013 0.000 2.077 2881 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 2881 E C 2.326 178.920 176.600 -0.010 0.000 0.989 2881 E CA 1.159 57.553 56.400 -0.010 0.000 0.800 2881 E CB 0.178 29.873 29.700 -0.008 0.000 0.746 2881 E HN 0.208 nan 8.360 nan 0.000 0.452 2882 I N 0.876 121.438 120.570 -0.013 0.000 2.127 2882 I HA -0.273 3.897 4.170 -0.001 0.000 0.241 2882 I C 2.415 178.524 176.117 -0.014 0.000 1.075 2882 I CA 1.013 62.305 61.300 -0.013 0.000 1.334 2882 I CB -0.982 37.007 38.000 -0.019 0.000 1.040 2882 I HN 0.275 nan 8.210 nan 0.000 0.405 2883 L N 0.010 121.221 121.223 -0.020 0.000 2.131 2883 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 2883 L C 2.541 179.400 176.870 -0.019 0.000 1.092 2883 L CA 1.253 56.078 54.840 -0.025 0.000 0.759 2883 L CB -0.951 41.089 42.059 -0.031 0.000 0.903 2883 L HN 0.004 nan 8.230 nan 0.000 0.435 2884 V N -1.153 118.754 119.914 -0.013 0.000 2.323 2884 V HA -0.237 3.882 4.120 -0.001 0.000 0.244 2884 V C 2.487 178.582 176.094 0.001 0.000 1.041 2884 V CA 1.379 63.675 62.300 -0.006 0.000 1.025 2884 V CB -0.392 31.428 31.823 -0.005 0.000 0.656 2884 V HN 0.300 nan 8.190 nan 0.000 0.451 2885 K N -0.187 120.214 120.400 0.001 0.000 2.155 2885 K HA -0.029 4.290 4.320 -0.001 0.000 0.203 2885 K C 1.863 178.473 176.600 0.015 0.000 1.052 2885 K CA 0.851 57.142 56.287 0.007 0.000 0.948 2885 K CB -0.436 32.067 32.500 0.005 0.000 0.728 2885 K HN 0.313 nan 8.250 nan 0.000 0.448 2886 V N 0.504 120.425 119.914 0.013 0.000 2.346 2886 V HA -0.156 3.964 4.120 -0.001 0.000 0.244 2886 V C 2.064 178.184 176.094 0.043 0.000 1.037 2886 V CA 1.528 63.842 62.300 0.023 0.000 1.029 2886 V CB -0.295 31.529 31.823 0.002 0.000 0.663 2886 V HN 0.223 nan 8.190 nan 0.000 0.454 2887 R N 0.154 120.664 120.500 0.017 0.000 2.115 2887 R HA -0.055 4.285 4.340 -0.001 0.000 0.230 2887 R C 2.390 178.727 176.300 0.061 0.000 1.111 2887 R CA 1.324 57.438 56.100 0.024 0.000 0.976 2887 R CB -0.491 29.801 30.300 -0.012 0.000 0.870 2887 R HN 0.534 nan 8.270 nan 0.000 0.445 2888 A N 1.273 124.117 122.820 0.039 0.000 1.873 2888 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 2888 A C 2.364 179.972 177.584 0.040 0.000 1.186 2888 A CA 1.553 53.610 52.037 0.034 0.000 0.616 2888 A CB -0.611 18.401 19.000 0.019 0.000 0.823 2888 A HN 0.365 nan 8.150 nan 0.000 0.442 2889 A N -1.070 121.777 122.820 0.045 0.000 1.933 2889 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 2889 A C 2.005 179.616 177.584 0.044 0.000 1.175 2889 A CA 2.071 54.130 52.037 0.037 0.000 0.628 2889 A CB -0.856 18.165 19.000 0.036 0.000 0.814 2889 A HN 0.781 nan 8.150 nan 0.000 0.444 2890 H N -0.208 118.858 119.070 -0.007 0.000 2.326 2890 H HA 0.054 4.609 4.556 -0.001 0.000 0.301 2890 H C 2.217 177.540 175.328 -0.008 0.000 1.081 2890 H CA 1.971 58.014 56.048 -0.008 0.000 1.334 2890 H CB -0.198 29.557 29.762 -0.012 0.000 1.385 2890 H HN 0.388 nan 8.280 nan 0.000 0.504 2891 A N -0.638 122.244 122.820 0.104 0.000 1.908 2891 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 2891 A C 2.568 180.141 177.584 -0.019 0.000 1.181 2891 A CA 2.062 54.131 52.037 0.053 0.000 0.627 2891 A CB -1.066 17.972 19.000 0.063 0.000 0.818 2891 A HN 0.515 nan 8.150 nan 0.000 0.445 2892 S N -0.640 115.048 115.700 -0.019 0.000 2.341 2892 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 2892 S C 1.876 176.447 174.600 -0.048 0.000 1.034 2892 S CA 1.060 59.245 58.200 -0.025 0.000 0.964 2892 S CB -0.398 62.796 63.200 -0.011 0.000 0.882 2892 S HN 0.596 nan 8.310 nan 0.000 0.469 2893 N N 1.087 119.752 118.700 -0.058 0.000 2.354 2893 N HA 0.231 4.970 4.740 -0.001 0.000 0.179 2893 N C 1.064 176.508 175.510 -0.109 0.000 1.021 2893 N CA 1.018 54.029 53.050 -0.065 0.000 0.887 2893 N CB -0.132 38.328 38.487 -0.044 0.000 0.974 2893 N HN 0.623 nan 8.380 nan 0.000 0.437 2894 G N 0.669 109.345 108.800 -0.206 0.000 2.498 2894 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.651 2894 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.651 2894 G C 0.145 174.785 174.900 -0.433 0.000 1.284 2894 G CA 0.042 44.960 45.100 -0.305 0.000 0.950 2894 G HN 0.349 nan 8.290 nan 0.000 0.511 2895 N N -0.311 118.189 118.700 -0.335 0.000 2.446 2895 N HA 0.004 4.743 4.740 -0.001 0.000 0.179 2895 N C 1.592 177.098 175.510 -0.006 0.000 1.054 2895 N CA 1.609 54.599 53.050 -0.100 0.000 0.905 2895 N CB -0.076 38.455 38.487 0.074 0.000 0.973 2895 N HN 0.883 nan 8.380 nan 0.000 0.448 2896 K N -1.002 119.376 120.400 -0.037 0.000 2.374 2896 K HA 0.265 4.585 4.320 -0.001 0.000 0.196 2896 K C -0.320 176.272 176.600 -0.013 0.000 1.023 2896 K CA -0.015 56.265 56.287 -0.012 0.000 1.103 2896 K CB 0.079 32.570 32.500 -0.015 0.000 0.848 2896 K HN 0.118 nan 8.250 nan 0.000 0.528 2897 C N 1.522 120.806 119.300 -0.027 0.000 3.114 2897 C HA 0.689 5.148 4.460 -0.001 0.000 0.215 2897 C C 0.143 175.133 174.990 -0.001 0.000 1.759 2897 C CA -0.706 58.302 59.018 -0.017 0.000 1.455 2897 C CB -0.572 27.147 27.740 -0.035 0.000 2.528 2897 C HN 0.598 nan 8.230 nan 0.000 0.511 2898 A N 0.076 122.916 122.820 0.034 0.000 2.593 2898 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 2898 A C -0.076 177.553 177.584 0.075 0.000 1.233 2898 A CA 0.222 52.306 52.037 0.079 0.000 0.661 2898 A CB 0.341 19.451 19.000 0.183 0.000 1.338 2898 A HN 1.914 nan 8.150 nan 0.000 0.495 2899 G N -2.105 106.741 108.800 0.077 0.000 2.699 2899 G HA2 0.414 4.373 3.960 -0.001 0.000 0.686 2899 G HA3 0.414 4.373 3.960 -0.001 0.000 0.686 2899 G C -0.982 173.940 174.900 0.038 0.000 1.301 2899 G CA -0.096 45.032 45.100 0.048 0.000 0.816 2899 G HN 2.063 nan 8.290 nan 0.000 0.595 2900 L N 0.539 121.778 121.223 0.026 0.000 2.289 2900 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 2900 L C 0.182 177.076 176.870 0.039 0.000 1.049 2900 L CA -1.027 53.826 54.840 0.021 0.000 0.804 2900 L CB 1.601 43.659 42.059 -0.002 0.000 1.195 2900 L HN 0.721 nan 8.230 nan 0.000 0.428 2901 N N 2.996 121.729 118.700 0.054 0.000 2.527 2901 N HA 0.212 4.951 4.740 -0.001 0.000 0.236 2901 N C 0.766 176.314 175.510 0.064 0.000 0.999 2901 N CA -0.222 52.891 53.050 0.105 0.000 0.935 2901 N CB 1.054 39.615 38.487 0.124 0.000 1.132 2901 N HN 0.525 nan 8.380 nan 0.000 0.511 2902 V N 1.321 121.226 119.914 -0.014 0.000 2.970 2902 V HA 0.023 4.142 4.120 -0.001 0.000 0.260 2902 V C 1.344 177.340 176.094 -0.164 0.000 1.100 2902 V CA 1.122 63.341 62.300 -0.134 0.000 1.122 2902 V CB -1.154 30.518 31.823 -0.251 0.000 0.721 2902 V HN 0.398 nan 8.190 nan 0.000 0.483 2903 F N 2.701 122.649 119.950 -0.004 0.000 2.234 2903 F HA -0.020 4.507 4.527 -0.001 0.000 0.299 2903 F C 2.594 178.392 175.800 -0.003 0.000 1.087 2903 F CA 1.867 59.865 58.000 -0.003 0.000 1.340 2903 F CB -0.567 38.431 39.000 -0.002 0.000 1.031 2903 F HN 0.424 nan 8.300 nan 0.000 0.500 2904 T N -4.562 110.093 114.554 0.167 0.000 2.985 2904 T HA 0.415 4.764 4.350 -0.001 0.000 0.254 2904 T C 1.428 176.156 174.700 0.046 0.000 1.021 2904 T CA 0.369 62.523 62.100 0.089 0.000 0.957 2904 T CB 0.346 69.259 68.868 0.075 0.000 1.047 2904 T HN 0.343 nan 8.240 nan 0.000 0.511 2905 G N 1.171 109.990 108.800 0.032 0.000 2.291 2905 G HA2 0.289 4.248 3.960 -0.001 0.000 0.271 2905 G HA3 0.289 4.248 3.960 -0.001 0.000 0.271 2905 G C 0.025 174.931 174.900 0.010 0.000 1.099 2905 G CA -0.220 44.884 45.100 0.005 0.000 0.919 2905 G HN 1.401 nan 8.290 nan 0.000 0.496 2906 A N -1.348 121.484 122.820 0.019 0.000 2.604 2906 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 2906 A C 0.027 177.625 177.584 0.023 0.000 1.067 2906 A CA 0.096 52.144 52.037 0.018 0.000 0.683 2906 A CB 1.673 20.686 19.000 0.021 0.000 1.281 2906 A HN 1.783 nan 8.150 nan 0.000 0.407 2907 V N 1.864 121.789 119.914 0.019 0.000 2.599 2907 V HA 0.428 4.548 4.120 -0.001 0.000 0.300 2907 V C -0.224 175.887 176.094 0.027 0.000 1.034 2907 V CA 0.860 63.174 62.300 0.023 0.000 1.115 2907 V CB 0.540 32.375 31.823 0.021 0.000 0.934 2907 V HN 0.872 nan 8.190 nan 0.000 0.485 2908 E N 3.678 123.898 120.200 0.033 0.000 2.458 2908 E HA 0.315 4.665 4.350 -0.001 0.000 0.278 2908 E C -1.424 175.194 176.600 0.031 0.000 1.004 2908 E CA -0.716 55.703 56.400 0.032 0.000 0.823 2908 E CB 1.472 31.196 29.700 0.039 0.000 1.396 2908 E HN 0.715 nan 8.360 nan 0.000 0.463 2909 D N 1.923 122.338 120.400 0.024 0.000 2.393 2909 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 2909 D C 0.929 177.243 176.300 0.023 0.000 1.192 2909 D CA -0.153 53.859 54.000 0.020 0.000 0.882 2909 D CB 0.542 41.349 40.800 0.010 0.000 1.038 2909 D HN 0.214 nan 8.370 nan 0.000 0.499 2910 M N 2.190 121.808 119.600 0.031 0.000 2.159 2910 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 2910 M C 2.347 178.660 176.300 0.023 0.000 1.063 2910 M CA 0.641 55.961 55.300 0.034 0.000 1.110 2910 M CB -1.181 31.444 32.600 0.042 0.000 1.374 2910 M HN 0.535 nan 8.290 nan 0.000 0.411 2911 C N 0.713 120.024 119.300 0.019 0.000 2.453 2911 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 2911 C C 2.688 177.682 174.990 0.005 0.000 1.262 2911 C CA 1.359 60.384 59.018 0.012 0.000 1.718 2911 C CB -0.915 26.831 27.740 0.010 0.000 2.031 2911 C HN 0.638 nan 8.230 nan 0.000 0.480 2912 E N 0.157 120.360 120.200 0.004 0.000 2.118 2912 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 2912 E C 1.390 177.987 176.600 -0.004 0.000 0.992 2912 E CA 1.349 57.749 56.400 -0.000 0.000 0.804 2912 E CB -0.208 29.492 29.700 0.000 0.000 0.741 2912 E HN 0.661 nan 8.360 nan 0.000 0.458 2913 N N -0.417 118.282 118.700 -0.002 0.000 2.461 2913 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 2913 N C 0.767 176.266 175.510 -0.020 0.000 1.134 2913 N CA 0.934 53.977 53.050 -0.013 0.000 0.878 2913 N CB 0.909 39.391 38.487 -0.007 0.000 0.972 2913 N HN 0.343 nan 8.380 nan 0.000 0.456 2914 G N 0.459 109.254 108.800 -0.010 0.000 2.147 2914 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 2914 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 2914 G C -0.001 174.896 174.900 -0.004 0.000 1.005 2914 G CA 0.048 45.142 45.100 -0.010 0.000 0.713 2914 G HN 0.197 nan 8.290 nan 0.000 0.515 2915 V N 1.479 121.397 119.914 0.007 0.000 2.222 2915 V HA 0.503 4.623 4.120 -0.001 0.000 0.253 2915 V C 0.829 176.939 176.094 0.026 0.000 1.210 2915 V CA 0.159 62.473 62.300 0.024 0.000 1.079 2915 V CB 0.409 32.260 31.823 0.047 0.000 1.265 2915 V HN 1.047 nan 8.190 nan 0.000 0.494 2916 V N 1.926 121.852 119.914 0.020 0.000 3.130 2916 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 2916 V C -0.760 175.344 176.094 0.018 0.000 1.158 2916 V CA -0.909 61.402 62.300 0.019 0.000 1.029 2916 V CB 2.437 34.269 31.823 0.014 0.000 1.057 2916 V HN 0.776 nan 8.190 nan 0.000 0.436 2917 E N 0.955 121.165 120.200 0.017 0.000 2.390 2917 E HA 0.658 5.007 4.350 -0.001 0.000 0.277 2917 E C -3.278 173.330 176.600 0.013 0.000 0.939 2917 E CA -2.369 54.039 56.400 0.015 0.000 0.769 2917 E CB 2.338 32.047 29.700 0.015 0.000 1.251 2917 E HN 0.453 nan 8.360 nan 0.000 0.450 2918 P HA -0.046 nan 4.420 nan 0.000 0.266 2918 P C 0.519 177.826 177.300 0.013 0.000 1.195 2918 P CA -0.340 62.767 63.100 0.012 0.000 0.768 2918 P CB 0.507 32.214 31.700 0.010 0.000 0.838 2919 L N 4.468 125.700 121.223 0.014 0.000 2.012 2919 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 2919 L C 2.417 179.297 176.870 0.016 0.000 1.073 2919 L CA 1.865 56.715 54.840 0.016 0.000 0.748 2919 L CB -0.834 41.235 42.059 0.017 0.000 0.891 2919 L HN 0.311 nan 8.230 nan 0.000 0.431 2920 R N -0.968 119.541 120.500 0.014 0.000 2.133 2920 R HA -0.186 4.153 4.340 -0.001 0.000 0.247 2920 R C 2.030 178.337 176.300 0.012 0.000 1.151 2920 R CA 2.133 58.241 56.100 0.013 0.000 0.971 2920 R CB -0.405 29.902 30.300 0.012 0.000 0.866 2920 R HN 0.395 nan 8.270 nan 0.000 0.447 2921 V N 1.043 120.964 119.914 0.011 0.000 2.295 2921 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 2921 V C 2.332 178.431 176.094 0.007 0.000 1.049 2921 V CA 2.083 64.388 62.300 0.008 0.000 1.024 2921 V CB -0.482 31.345 31.823 0.008 0.000 0.648 2921 V HN 0.283 nan 8.190 nan 0.000 0.447 2922 K N 0.790 121.196 120.400 0.009 0.000 2.103 2922 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 2922 K C 2.224 178.832 176.600 0.014 0.000 1.052 2922 K CA 1.929 58.221 56.287 0.008 0.000 0.945 2922 K CB -0.667 31.839 32.500 0.011 0.000 0.722 2922 K HN 0.678 nan 8.250 nan 0.000 0.443 2923 T N -2.128 112.438 114.554 0.019 0.000 2.942 2923 T HA -0.072 4.278 4.350 -0.001 0.000 0.265 2923 T C 1.875 176.590 174.700 0.026 0.000 1.062 2923 T CA 0.816 62.932 62.100 0.027 0.000 1.139 2923 T CB -0.153 68.731 68.868 0.027 0.000 0.883 2923 T HN 0.104 nan 8.240 nan 0.000 0.468 2924 Q N 1.900 121.712 119.800 0.019 0.000 2.123 2924 Q HA 0.259 4.598 4.340 -0.001 0.000 0.199 2924 Q C 2.417 178.426 176.000 0.015 0.000 0.966 2924 Q CA 1.723 57.537 55.803 0.017 0.000 0.845 2924 Q CB -0.994 27.751 28.738 0.013 0.000 0.907 2924 Q HN 0.626 nan 8.270 nan 0.000 0.439 2925 A N 0.577 123.402 122.820 0.009 0.000 1.908 2925 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 2925 A C 1.946 179.532 177.584 0.003 0.000 1.181 2925 A CA 1.645 53.681 52.037 -0.001 0.000 0.627 2925 A CB -0.720 18.273 19.000 -0.012 0.000 0.818 2925 A HN 0.453 nan 8.150 nan 0.000 0.445 2926 I N -0.471 120.111 120.570 0.019 0.000 2.202 2926 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 2926 I C 2.645 178.806 176.117 0.072 0.000 1.091 2926 I CA 1.937 63.267 61.300 0.051 0.000 1.368 2926 I CB -1.434 36.615 38.000 0.082 0.000 1.058 2926 I HN 0.471 nan 8.210 nan 0.000 0.410 2927 Q N 1.262 121.095 119.800 0.055 0.000 2.030 2927 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 2927 Q C 2.412 178.441 176.000 0.048 0.000 0.986 2927 Q CA 2.593 58.427 55.803 0.052 0.000 0.843 2927 Q CB -0.300 28.460 28.738 0.037 0.000 0.904 2927 Q HN 0.345 nan 8.270 nan 0.000 0.420 2928 S N 0.012 115.732 115.700 0.034 0.000 2.368 2928 S HA -0.096 4.373 4.470 -0.001 0.000 0.225 2928 S C 1.902 176.520 174.600 0.031 0.000 1.030 2928 S CA 0.970 59.187 58.200 0.028 0.000 0.999 2928 S CB -0.630 62.580 63.200 0.017 0.000 0.844 2928 S HN 0.595 nan 8.310 nan 0.000 0.459 2929 A N 1.571 124.406 122.820 0.025 0.000 1.877 2929 A HA 0.126 4.446 4.320 -0.001 0.000 0.216 2929 A C 2.353 179.969 177.584 0.053 0.000 1.186 2929 A CA 1.711 53.757 52.037 0.016 0.000 0.620 2929 A CB -1.109 17.876 19.000 -0.025 0.000 0.822 2929 A HN 0.508 nan 8.150 nan 0.000 0.443 2930 A N 0.735 123.614 122.820 0.097 0.000 1.898 2930 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 2930 A C 1.996 179.660 177.584 0.133 0.000 1.181 2930 A CA 1.740 53.877 52.037 0.168 0.000 0.620 2930 A CB -0.639 18.485 19.000 0.206 0.000 0.819 2930 A HN 0.786 nan 8.150 nan 0.000 0.442 2931 E N 0.284 120.539 120.200 0.091 0.000 2.208 2931 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 2931 E C 1.819 178.458 176.600 0.065 0.000 0.988 2931 E CA 1.395 57.838 56.400 0.072 0.000 0.828 2931 E CB -0.345 29.387 29.700 0.052 0.000 0.763 2931 E HN 0.633 nan 8.360 nan 0.000 0.478 2932 S N 0.289 116.025 115.700 0.061 0.000 2.446 2932 S HA -0.038 4.432 4.470 -0.001 0.000 0.225 2932 S C 2.005 176.642 174.600 0.063 0.000 1.016 2932 S CA 0.948 59.178 58.200 0.050 0.000 0.943 2932 S CB -0.277 62.944 63.200 0.035 0.000 0.786 2932 S HN 0.205 nan 8.310 nan 0.000 0.508 2933 T N 2.293 116.900 114.554 0.089 0.000 2.737 2933 T HA -0.044 4.306 4.350 -0.001 0.000 0.265 2933 T C 1.737 176.519 174.700 0.136 0.000 1.038 2933 T CA 1.572 63.748 62.100 0.128 0.000 1.144 2933 T CB -0.385 68.601 68.868 0.196 0.000 0.866 2933 T HN 0.661 nan 8.240 nan 0.000 0.434 2934 E N 0.717 121.000 120.200 0.137 0.000 2.110 2934 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 2934 E C 2.231 178.869 176.600 0.063 0.000 0.988 2934 E CA 0.851 57.310 56.400 0.099 0.000 0.804 2934 E CB -0.210 29.545 29.700 0.092 0.000 0.745 2934 E HN 0.451 nan 8.360 nan 0.000 0.458 2935 M N 0.686 120.321 119.600 0.059 0.000 2.073 2935 M HA -0.234 4.245 4.480 -0.001 0.000 0.258 2935 M C 2.359 178.683 176.300 0.040 0.000 1.070 2935 M CA 1.599 56.926 55.300 0.044 0.000 1.103 2935 M CB -0.202 32.423 32.600 0.041 0.000 1.321 2935 M HN 0.338 nan 8.290 nan 0.000 0.405 2936 L N 0.526 121.776 121.223 0.045 0.000 2.012 2936 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 2936 L C 2.249 179.137 176.870 0.031 0.000 1.073 2936 L CA 1.452 56.315 54.840 0.038 0.000 0.748 2936 L CB -0.323 41.758 42.059 0.038 0.000 0.891 2936 L HN 0.419 nan 8.230 nan 0.000 0.431 2937 L N -0.685 120.559 121.223 0.034 0.000 2.131 2937 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 2937 L C 2.684 179.560 176.870 0.011 0.000 1.092 2937 L CA 1.130 55.979 54.840 0.015 0.000 0.759 2937 L CB -0.469 41.598 42.059 0.013 0.000 0.903 2937 L HN 0.246 nan 8.230 nan 0.000 0.435 2938 R N -0.201 120.312 120.500 0.022 0.000 2.189 2938 R HA 0.061 4.400 4.340 -0.001 0.000 0.218 2938 R C 0.434 176.746 176.300 0.019 0.000 1.074 2938 R CA 0.527 56.639 56.100 0.021 0.000 0.991 2938 R CB -0.072 30.243 30.300 0.025 0.000 0.883 2938 R HN 0.278 nan 8.270 nan 0.000 0.457 2939 I N 0.834 121.417 120.570 0.020 0.000 2.331 2939 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 2939 I C 0.264 176.391 176.117 0.017 0.000 0.998 2939 I CA 0.023 61.336 61.300 0.021 0.000 1.267 2939 I CB 1.520 39.537 38.000 0.028 0.000 1.386 2939 I HN -0.118 nan 8.210 nan 0.000 0.476 2940 D N 3.376 123.786 120.400 0.016 0.000 2.539 2940 D HA 0.111 4.750 4.640 -0.001 0.000 0.232 2940 D C -0.799 175.513 176.300 0.019 0.000 1.256 2940 D CA 0.238 54.245 54.000 0.011 0.000 0.810 2940 D CB 0.513 41.315 40.800 0.002 0.000 1.090 2940 D HN 0.432 nan 8.370 nan 0.000 0.519 2941 D N 0.036 120.449 120.400 0.023 0.000 2.861 2941 D HA 0.199 4.839 4.640 -0.001 0.000 0.216 2941 D C -1.363 174.952 176.300 0.024 0.000 1.323 2941 D CA -0.403 53.611 54.000 0.024 0.000 0.917 2941 D CB 1.903 42.714 40.800 0.018 0.000 1.582 2941 D HN -0.263 nan 8.370 nan 0.000 0.576 2942 V N 5.177 125.108 119.914 0.028 0.000 2.347 2942 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 2942 V C 0.409 176.509 176.094 0.010 0.000 1.021 2942 V CA -0.551 61.761 62.300 0.021 0.000 0.847 2942 V CB 1.275 33.115 31.823 0.028 0.000 0.990 2942 V HN 0.477 nan 8.190 nan 0.000 0.444 2943 I N 4.914 125.485 120.570 0.003 0.000 2.371 2943 I HA 0.646 4.815 4.170 -0.001 0.000 0.282 2943 I C 0.395 176.507 176.117 -0.009 0.000 1.031 2943 I CA -0.210 61.090 61.300 -0.001 0.000 1.180 2943 I CB 1.294 39.294 38.000 0.001 0.000 1.336 2943 I HN 0.657 nan 8.210 nan 0.000 0.467 2944 A N 4.866 127.677 122.820 -0.015 0.000 2.337 2944 A HA 0.890 5.210 4.320 -0.001 0.000 0.329 2944 A C 0.107 177.680 177.584 -0.017 0.000 1.146 2944 A CA -0.499 51.524 52.037 -0.023 0.000 0.800 2944 A CB 1.205 20.181 19.000 -0.039 0.000 1.220 2944 A HN 0.718 nan 8.150 nan 0.000 0.472 2945 A N 1.766 124.576 122.820 -0.016 0.000 2.313 2945 A HA 0.547 4.867 4.320 -0.001 0.000 0.261 2945 A C 0.414 177.989 177.584 -0.014 0.000 1.090 2945 A CA -0.269 51.761 52.037 -0.013 0.000 0.807 2945 A CB -0.176 18.818 19.000 -0.010 0.000 1.055 2945 A HN 0.893 nan 8.150 nan 0.000 0.492 2946 E N 0.000 120.193 120.200 -0.011 0.000 2.725 2946 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 2946 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 2946 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 2946 E HN 0.000 nan 8.360 nan 0.000 0.440