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_H DATA FIRST_RESID 3438 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 3438 V HA 0.000 nan 4.120 nan 0.000 0.244 3438 V C 0.000 176.088 176.094 -0.010 0.000 1.182 3438 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 3438 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 3439 L N 1.835 123.051 121.223 -0.012 0.000 2.352 3439 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 3439 L C -2.290 174.575 176.870 -0.009 0.000 1.034 3439 L CA -1.672 53.161 54.840 -0.010 0.000 0.806 3439 L CB 0.685 42.737 42.059 -0.012 0.000 1.244 3439 L HN 0.139 nan 8.230 nan 0.000 0.447 3440 P HA 0.011 nan 4.420 nan 0.000 0.265 3440 P C -0.657 176.641 177.300 -0.004 0.000 1.193 3440 P CA -0.258 62.840 63.100 -0.003 0.000 0.765 3440 P CB 0.393 32.093 31.700 -0.001 0.000 0.823 3441 E N 2.899 123.096 120.200 -0.004 0.000 2.480 3441 E HA -0.051 4.298 4.350 -0.001 0.000 0.258 3441 E C 0.689 177.288 176.600 -0.001 0.000 0.984 3441 E CA 0.952 57.349 56.400 -0.005 0.000 0.930 3441 E CB -0.323 29.374 29.700 -0.005 0.000 0.936 3441 E HN 0.533 nan 8.360 nan 0.000 0.466 3442 N N 2.104 120.804 118.700 -0.000 0.000 2.879 3442 N HA -0.188 4.552 4.740 -0.001 0.000 0.156 3442 N C -0.659 174.859 175.510 0.014 0.000 1.554 3442 N CA 0.887 53.942 53.050 0.007 0.000 2.252 3442 N CB -1.205 37.288 38.487 0.010 0.000 1.232 3442 N HN 0.542 nan 8.380 nan 0.000 0.861 3443 M N 1.661 121.267 119.600 0.009 0.000 2.249 3443 M HA 0.319 4.799 4.480 -0.001 0.000 0.351 3443 M C -0.763 175.539 176.300 0.004 0.000 1.180 3443 M CA -0.096 55.214 55.300 0.017 0.000 1.127 3443 M CB 0.597 33.203 32.600 0.010 0.000 1.546 3443 M HN -0.046 nan 8.290 nan 0.000 0.461 3444 K N 4.159 124.574 120.400 0.024 0.000 2.267 3444 K HA 0.614 4.933 4.320 -0.001 0.000 0.246 3444 K C -1.005 175.571 176.600 -0.040 0.000 0.954 3444 K CA -0.758 55.505 56.287 -0.039 0.000 0.824 3444 K CB 1.850 34.340 32.500 -0.017 0.000 1.167 3444 K HN 0.674 nan 8.250 nan 0.000 0.431 3445 R N 1.573 121.949 120.500 -0.206 0.000 2.686 3445 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 3445 R C -0.906 175.166 176.300 -0.380 0.000 0.969 3445 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 3445 R CB 1.274 31.534 30.300 -0.067 0.000 1.183 3445 R HN 0.558 nan 8.270 nan 0.000 0.456 3446 Y N 2.427 122.742 120.300 0.026 0.000 2.536 3446 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 3446 Y C 0.583 176.496 175.900 0.022 0.000 1.000 3446 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 3446 Y CB 1.974 40.458 38.460 0.040 0.000 1.259 3446 Y HN 0.361 nan 8.280 nan 0.000 0.468 3447 M N 0.819 120.514 119.600 0.159 0.000 2.520 3447 M HA 0.784 5.264 4.480 -0.001 0.000 0.280 3447 M C 0.026 176.370 176.300 0.073 0.000 1.232 3447 M CA -0.241 55.112 55.300 0.089 0.000 0.892 3447 M CB 1.276 33.902 32.600 0.044 0.000 1.728 3447 M HN 0.891 nan 8.290 nan 0.000 0.475 3448 G N 2.728 111.558 108.800 0.050 0.000 2.561 3448 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 3448 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 3448 G C 0.672 175.591 174.900 0.031 0.000 1.169 3448 G CA 0.528 45.647 45.100 0.032 0.000 0.980 3448 G HN 0.842 nan 8.290 nan 0.000 0.550 3449 R N 1.081 121.595 120.500 0.023 0.000 2.152 3449 R HA -0.022 4.317 4.340 -0.001 0.000 0.232 3449 R C 2.102 178.421 176.300 0.032 0.000 1.117 3449 R CA 1.785 57.895 56.100 0.015 0.000 0.981 3449 R CB -0.795 29.510 30.300 0.007 0.000 0.870 3449 R HN 0.611 nan 8.270 nan 0.000 0.451 3450 D N 0.493 120.936 120.400 0.071 0.000 2.224 3450 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 3450 D C 1.692 178.057 176.300 0.109 0.000 0.965 3450 D CA 1.157 55.232 54.000 0.125 0.000 0.852 3450 D CB -0.035 40.909 40.800 0.240 0.000 0.947 3450 D HN 0.169 nan 8.370 nan 0.000 0.494 3451 A N 0.656 123.541 122.820 0.108 0.000 1.929 3451 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 3451 A C 2.092 179.694 177.584 0.030 0.000 1.176 3451 A CA 0.991 53.084 52.037 0.094 0.000 0.628 3451 A CB -0.205 18.850 19.000 0.092 0.000 0.816 3451 A HN 0.036 nan 8.150 nan 0.000 0.444 3452 Q N -0.444 119.363 119.800 0.012 0.000 2.016 3452 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 3452 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 3452 Q CA 1.892 57.688 55.803 -0.012 0.000 0.833 3452 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 3452 Q HN 0.630 nan 8.270 nan 0.000 0.427 3453 R N 0.916 121.385 120.500 -0.051 0.000 2.075 3453 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 3453 R C 2.183 178.387 176.300 -0.161 0.000 1.126 3453 R CA 1.522 57.572 56.100 -0.085 0.000 0.963 3453 R CB -0.617 29.644 30.300 -0.065 0.000 0.858 3453 R HN 0.306 nan 8.270 nan 0.000 0.435 3454 M N 0.296 119.759 119.600 -0.227 0.000 2.082 3454 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 3454 M C 1.019 177.151 176.300 -0.280 0.000 1.069 3454 M CA 2.105 57.189 55.300 -0.359 0.000 1.102 3454 M CB -0.265 32.098 32.600 -0.396 0.000 1.336 3454 M HN 0.178 nan 8.290 nan 0.000 0.404 3455 N N 0.755 119.356 118.700 -0.165 0.000 2.188 3455 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 3455 N C 1.655 177.072 175.510 -0.155 0.000 1.018 3455 N CA 1.364 54.319 53.050 -0.159 0.000 0.858 3455 N CB -0.428 38.039 38.487 -0.032 0.000 0.989 3455 N HN 0.395 nan 8.380 nan 0.000 0.426 3456 I N 0.547 121.048 120.570 -0.115 0.000 2.315 3456 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 3456 I C 1.849 177.898 176.117 -0.114 0.000 1.117 3456 I CA 0.683 61.930 61.300 -0.089 0.000 1.404 3456 I CB -0.830 37.134 38.000 -0.061 0.000 1.071 3456 I HN 0.053 nan 8.210 nan 0.000 0.419 3457 L N 0.998 122.130 121.223 -0.151 0.000 2.093 3457 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 3457 L C 2.722 179.488 176.870 -0.173 0.000 1.085 3457 L CA 1.810 56.558 54.840 -0.153 0.000 0.755 3457 L CB -1.339 40.614 42.059 -0.178 0.000 0.904 3457 L HN 0.167 nan 8.230 nan 0.000 0.435 3458 A N -0.548 122.116 122.820 -0.261 0.000 1.902 3458 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 3458 A C 2.405 179.887 177.584 -0.170 0.000 1.181 3458 A CA 1.700 53.561 52.037 -0.294 0.000 0.623 3458 A CB -1.280 17.354 19.000 -0.610 0.000 0.818 3458 A HN 0.432 nan 8.150 nan 0.000 0.443 3459 G N -0.716 107.999 108.800 -0.141 0.000 2.422 3459 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 3459 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 3459 G C 1.672 176.530 174.900 -0.069 0.000 1.140 3459 G CA 1.140 46.191 45.100 -0.083 0.000 0.775 3459 G HN 0.520 nan 8.290 nan 0.000 0.545 3460 R N 0.635 121.089 120.500 -0.078 0.000 2.092 3460 R HA 0.109 4.449 4.340 -0.001 0.000 0.231 3460 R C 2.400 178.665 176.300 -0.058 0.000 1.119 3460 R CA 0.984 57.046 56.100 -0.064 0.000 0.970 3460 R CB -0.648 29.613 30.300 -0.065 0.000 0.864 3460 R HN 0.427 nan 8.270 nan 0.000 0.440 3461 I N 0.102 120.633 120.570 -0.066 0.000 2.127 3461 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 3461 I C 1.774 177.867 176.117 -0.041 0.000 1.075 3461 I CA 1.063 62.332 61.300 -0.052 0.000 1.334 3461 I CB -0.282 37.684 38.000 -0.056 0.000 1.040 3461 I HN 0.141 nan 8.210 nan 0.000 0.405 3462 I N 0.899 121.444 120.570 -0.042 0.000 2.233 3462 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 3462 I C 2.873 178.971 176.117 -0.032 0.000 1.093 3462 I CA 1.597 62.878 61.300 -0.031 0.000 1.380 3462 I CB -1.614 36.370 38.000 -0.027 0.000 1.067 3462 I HN 0.167 nan 8.210 nan 0.000 0.413 3463 A N 0.444 123.241 122.820 -0.038 0.000 1.940 3463 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 3463 A C 2.282 179.843 177.584 -0.038 0.000 1.176 3463 A CA 2.097 54.111 52.037 -0.038 0.000 0.631 3463 A CB -0.573 18.401 19.000 -0.043 0.000 0.814 3463 A HN 0.407 nan 8.150 nan 0.000 0.446 3464 E N -0.493 119.684 120.200 -0.038 0.000 2.107 3464 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 3464 E C 2.014 178.595 176.600 -0.031 0.000 0.982 3464 E CA 1.778 58.157 56.400 -0.035 0.000 0.809 3464 E CB -0.514 29.165 29.700 -0.035 0.000 0.756 3464 E HN 0.505 nan 8.360 nan 0.000 0.459 3465 T N 0.113 114.650 114.554 -0.029 0.000 2.746 3465 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 3465 T C 1.880 176.565 174.700 -0.025 0.000 1.039 3465 T CA 1.790 63.875 62.100 -0.025 0.000 1.142 3465 T CB -0.320 68.534 68.868 -0.022 0.000 0.866 3465 T HN 0.267 nan 8.240 nan 0.000 0.444 3466 V N 1.862 121.761 119.914 -0.026 0.000 2.649 3466 V HA 0.014 4.134 4.120 -0.001 0.000 0.248 3466 V C 2.347 178.423 176.094 -0.030 0.000 1.054 3466 V CA 1.307 63.591 62.300 -0.026 0.000 1.073 3466 V CB -0.890 30.918 31.823 -0.025 0.000 0.699 3466 V HN 0.479 nan 8.190 nan 0.000 0.463 3467 R N 2.696 123.176 120.500 -0.033 0.000 2.241 3467 R HA -0.062 4.278 4.340 -0.001 0.000 0.224 3467 R C 2.015 178.293 176.300 -0.037 0.000 1.101 3467 R CA 1.591 57.668 56.100 -0.038 0.000 0.995 3467 R CB -0.984 29.291 30.300 -0.041 0.000 0.870 3467 R HN 0.689 nan 8.270 nan 0.000 0.463 3468 S N 0.032 115.712 115.700 -0.033 0.000 2.522 3468 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 3468 S C 1.692 176.272 174.600 -0.033 0.000 0.986 3468 S CA 0.686 58.866 58.200 -0.033 0.000 0.929 3468 S CB 0.077 63.260 63.200 -0.029 0.000 0.769 3468 S HN 0.551 nan 8.310 nan 0.000 0.529 3469 T N -0.947 113.588 114.554 -0.031 0.000 3.069 3469 T HA 0.353 4.703 4.350 -0.001 0.000 0.252 3469 T C 0.323 175.003 174.700 -0.033 0.000 1.053 3469 T CA -0.522 61.561 62.100 -0.029 0.000 0.964 3469 T CB -0.436 68.419 68.868 -0.023 0.000 1.005 3469 T HN 0.258 nan 8.240 nan 0.000 0.532 3470 L N 2.928 124.128 121.223 -0.038 0.000 2.462 3470 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 3470 L C 0.702 177.541 176.870 -0.052 0.000 1.166 3470 L CA 1.608 56.423 54.840 -0.041 0.000 0.880 3470 L CB -0.750 41.282 42.059 -0.044 0.000 1.142 3470 L HN 0.697 nan 8.230 nan 0.000 0.473 3471 G N 4.398 113.169 108.800 -0.048 0.000 2.663 3471 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.686 3471 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.686 3471 G C -2.065 172.790 174.900 -0.075 0.000 1.288 3471 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 3471 G HN 0.552 nan 8.290 nan 0.000 0.584 3472 P HA 0.003 nan 4.420 nan 0.000 0.222 3472 P C 1.122 178.329 177.300 -0.155 0.000 1.147 3472 P CA 1.231 64.270 63.100 -0.103 0.000 0.790 3472 P CB 0.112 31.725 31.700 -0.145 0.000 0.780 3473 K N -0.211 120.060 120.400 -0.214 0.000 2.372 3473 K HA 0.272 4.592 4.320 -0.001 0.000 0.200 3473 K C 1.172 177.712 176.600 -0.100 0.000 1.022 3473 K CA -0.140 56.047 56.287 -0.166 0.000 1.125 3473 K CB -0.110 32.263 32.500 -0.212 0.000 0.855 3473 K HN 0.067 nan 8.250 nan 0.000 0.524 3474 G N 0.226 108.977 108.800 -0.082 0.000 2.616 3474 G HA2 0.245 4.205 3.960 -0.001 0.000 0.268 3474 G HA3 0.245 4.205 3.960 -0.001 0.000 0.268 3474 G C 0.018 174.893 174.900 -0.041 0.000 1.213 3474 G CA -0.514 44.552 45.100 -0.057 0.000 0.926 3474 G HN -0.069 nan 8.290 nan 0.000 0.523 3475 M N -0.044 119.536 119.600 -0.034 0.000 2.531 3475 M HA 0.401 4.880 4.480 -0.001 0.000 0.262 3475 M C -0.232 176.056 176.300 -0.021 0.000 1.168 3475 M CA -0.677 54.608 55.300 -0.026 0.000 0.926 3475 M CB 1.116 33.701 32.600 -0.025 0.000 1.445 3475 M HN 0.726 nan 8.290 nan 0.000 0.531 3476 D N -0.591 119.798 120.400 -0.018 0.000 2.493 3476 D HA 0.562 5.202 4.640 -0.001 0.000 0.239 3476 D C -1.301 174.989 176.300 -0.017 0.000 1.049 3476 D CA -0.763 53.228 54.000 -0.016 0.000 1.008 3476 D CB 1.271 42.063 40.800 -0.013 0.000 1.398 3476 D HN 0.116 nan 8.370 nan 0.000 0.513 3477 K N 0.344 120.735 120.400 -0.016 0.000 2.259 3477 K HA 0.397 4.716 4.320 -0.001 0.000 0.252 3477 K C -0.950 175.640 176.600 -0.017 0.000 0.936 3477 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 3477 K CB 1.970 34.461 32.500 -0.014 0.000 1.143 3477 K HN 0.677 nan 8.250 nan 0.000 0.427 3478 M N 4.059 123.648 119.600 -0.019 0.000 2.047 3478 M HA 0.253 4.733 4.480 -0.001 0.000 0.342 3478 M C -1.493 174.797 176.300 -0.017 0.000 1.058 3478 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 3478 M CB 0.367 32.951 32.600 -0.026 0.000 1.474 3478 M HN 0.347 nan 8.290 nan 0.000 0.419 3479 L N 6.057 127.270 121.223 -0.015 0.000 2.272 3479 L HA 0.521 4.861 4.340 -0.001 0.000 0.289 3479 L C -0.797 176.067 176.870 -0.011 0.000 1.032 3479 L CA -0.253 54.581 54.840 -0.011 0.000 0.810 3479 L CB 1.668 43.722 42.059 -0.008 0.000 1.205 3479 L HN 0.414 nan 8.230 nan 0.000 0.422 3480 V N 2.815 122.723 119.914 -0.009 0.000 2.407 3480 V HA 0.370 4.490 4.120 -0.001 0.000 0.291 3480 V C -0.351 175.740 176.094 -0.004 0.000 1.018 3480 V CA -0.940 61.354 62.300 -0.009 0.000 0.842 3480 V CB 1.527 33.344 31.823 -0.010 0.000 0.996 3480 V HN 0.806 nan 8.190 nan 0.000 0.426 3481 D N 2.246 122.645 120.400 -0.002 0.000 2.478 3481 D HA 0.094 4.733 4.640 -0.001 0.000 0.269 3481 D C 0.888 177.188 176.300 0.000 0.000 1.232 3481 D CA -0.494 53.506 54.000 -0.000 0.000 1.059 3481 D CB 0.704 41.505 40.800 0.001 0.000 1.104 3481 D HN 0.400 nan 8.370 nan 0.000 0.566 3482 D N -1.742 118.659 120.400 0.001 0.000 2.264 3482 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 3482 D C 1.451 177.752 176.300 0.002 0.000 0.966 3482 D CA 0.622 54.623 54.000 0.002 0.000 0.864 3482 D CB 0.002 40.803 40.800 0.002 0.000 0.933 3482 D HN 0.185 nan 8.370 nan 0.000 0.499 3483 L N -1.004 120.220 121.223 0.003 0.000 2.558 3483 L HA 0.351 4.691 4.340 -0.001 0.000 0.225 3483 L C 1.952 178.824 176.870 0.004 0.000 1.128 3483 L CA 0.910 55.752 54.840 0.004 0.000 0.868 3483 L CB 0.145 42.206 42.059 0.004 0.000 1.006 3483 L HN 0.255 nan 8.230 nan 0.000 0.454 3484 G N -1.321 107.481 108.800 0.003 0.000 2.179 3484 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 3484 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 3484 G C 0.243 175.144 174.900 0.002 0.000 0.990 3484 G CA 0.101 45.202 45.100 0.002 0.000 0.646 3484 G HN 0.322 nan 8.290 nan 0.000 0.517 3485 D N 1.165 121.567 120.400 0.003 0.000 2.382 3485 D HA 0.394 5.033 4.640 -0.001 0.000 0.259 3485 D C 0.415 176.713 176.300 -0.003 0.000 1.224 3485 D CA 0.162 54.165 54.000 0.005 0.000 0.894 3485 D CB 1.099 41.903 40.800 0.008 0.000 1.127 3485 D HN 0.194 nan 8.370 nan 0.000 0.487 3486 V N 4.991 124.899 119.914 -0.009 0.000 2.347 3486 V HA 0.280 4.400 4.120 -0.001 0.000 0.280 3486 V C 0.128 176.205 176.094 -0.029 0.000 1.021 3486 V CA -0.794 61.491 62.300 -0.025 0.000 0.847 3486 V CB 1.582 33.379 31.823 -0.043 0.000 0.990 3486 V HN 0.334 nan 8.190 nan 0.000 0.444 3487 V N 6.044 125.945 119.914 -0.022 0.000 2.378 3487 V HA 0.449 4.568 4.120 -0.001 0.000 0.288 3487 V C -0.222 175.859 176.094 -0.022 0.000 1.016 3487 V CA -0.561 61.730 62.300 -0.017 0.000 0.840 3487 V CB 1.942 33.762 31.823 -0.004 0.000 0.994 3487 V HN 0.589 nan 8.190 nan 0.000 0.431 3488 V N 4.448 124.345 119.914 -0.029 0.000 2.357 3488 V HA 0.769 4.888 4.120 -0.001 0.000 0.284 3488 V C 0.104 176.190 176.094 -0.014 0.000 1.018 3488 V CA 0.020 62.303 62.300 -0.028 0.000 0.841 3488 V CB 1.587 33.383 31.823 -0.044 0.000 0.991 3488 V HN 0.976 nan 8.190 nan 0.000 0.437 3489 T N 2.642 117.190 114.554 -0.011 0.000 2.739 3489 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 3489 T C 0.129 174.825 174.700 -0.007 0.000 1.389 3489 T CA -0.361 61.736 62.100 -0.005 0.000 1.001 3489 T CB 2.058 70.925 68.868 -0.001 0.000 1.436 3489 T HN 0.601 nan 8.240 nan 0.000 0.500 3490 N N 0.327 119.024 118.700 -0.004 0.000 2.210 3490 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 3490 N C -0.779 174.728 175.510 -0.006 0.000 1.175 3490 N CA -0.019 53.027 53.050 -0.006 0.000 0.894 3490 N CB 0.444 38.929 38.487 -0.004 0.000 1.041 3490 N HN 0.552 nan 8.380 nan 0.000 0.506 3491 D N 0.358 120.757 120.400 -0.003 0.000 2.450 3491 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 3491 D C 1.282 177.579 176.300 -0.004 0.000 1.162 3491 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 3491 D CB 1.275 42.076 40.800 0.001 0.000 1.163 3491 D HN 0.290 nan 8.370 nan 0.000 0.472 3492 G N 1.658 110.455 108.800 -0.006 0.000 2.414 3492 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 3492 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 3492 G C 1.496 176.393 174.900 -0.005 0.000 1.188 3492 G CA 0.303 45.399 45.100 -0.008 0.000 0.783 3492 G HN 0.452 nan 8.290 nan 0.000 0.537 3493 V N 0.825 120.737 119.914 -0.003 0.000 2.515 3493 V HA -0.102 4.017 4.120 -0.001 0.000 0.250 3493 V C 2.970 179.064 176.094 0.000 0.000 1.058 3493 V CA 2.740 65.039 62.300 -0.001 0.000 1.064 3493 V CB -0.563 31.261 31.823 0.001 0.000 0.675 3493 V HN 0.401 nan 8.190 nan 0.000 0.461 3494 T N 0.565 115.119 114.554 0.000 0.000 2.777 3494 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 3494 T C 1.752 176.452 174.700 -0.000 0.000 1.040 3494 T CA 1.970 64.070 62.100 0.001 0.000 1.141 3494 T CB -0.257 68.612 68.868 0.001 0.000 0.868 3494 T HN 0.461 nan 8.240 nan 0.000 0.444 3495 I N 0.627 121.196 120.570 -0.002 0.000 2.208 3495 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 3495 I C 1.982 178.097 176.117 -0.002 0.000 1.097 3495 I CA 0.943 62.241 61.300 -0.003 0.000 1.363 3495 I CB -0.265 37.731 38.000 -0.006 0.000 1.051 3495 I HN 0.162 nan 8.210 nan 0.000 0.413 3496 L N 0.172 121.395 121.223 -0.001 0.000 2.217 3496 L HA -0.079 4.260 4.340 -0.001 0.000 0.211 3496 L C 2.458 179.330 176.870 0.004 0.000 1.107 3496 L CA 1.561 56.401 54.840 0.001 0.000 0.783 3496 L CB -0.752 41.308 42.059 0.001 0.000 0.919 3496 L HN 0.104 nan 8.230 nan 0.000 0.442 3497 R N -1.071 119.431 120.500 0.003 0.000 2.100 3497 R HA -0.035 4.305 4.340 -0.001 0.000 0.220 3497 R C 1.962 178.265 176.300 0.004 0.000 1.091 3497 R CA 0.660 56.762 56.100 0.004 0.000 0.986 3497 R CB 0.003 30.305 30.300 0.004 0.000 0.888 3497 R HN 0.273 nan 8.270 nan 0.000 0.444 3498 E N 0.985 121.187 120.200 0.003 0.000 2.086 3498 E HA -0.059 4.291 4.350 -0.001 0.000 0.190 3498 E C 1.284 177.885 176.600 0.002 0.000 0.975 3498 E CA 0.561 56.962 56.400 0.002 0.000 0.813 3498 E CB -0.105 29.595 29.700 0.001 0.000 0.768 3498 E HN 0.333 nan 8.360 nan 0.000 0.457 3499 M N -0.208 119.393 119.600 0.002 0.000 2.184 3499 M HA 0.098 4.578 4.480 -0.001 0.000 0.296 3499 M C 0.518 176.821 176.300 0.005 0.000 1.165 3499 M CA 0.362 55.663 55.300 0.002 0.000 1.175 3499 M CB 0.478 33.078 32.600 0.001 0.000 1.392 3499 M HN -0.239 nan 8.290 nan 0.000 0.457 3500 S N 1.533 117.237 115.700 0.007 0.000 2.466 3500 S HA 0.491 4.960 4.470 -0.001 0.000 0.313 3500 S C -0.895 173.714 174.600 0.015 0.000 1.078 3500 S CA -0.805 57.401 58.200 0.010 0.000 1.115 3500 S CB -0.013 63.193 63.200 0.010 0.000 1.006 3500 S HN 0.508 nan 8.310 nan 0.000 0.487 3501 V N 5.733 125.658 119.914 0.018 0.000 2.439 3501 V HA 0.425 4.545 4.120 -0.001 0.000 0.282 3501 V C 0.610 176.725 176.094 0.035 0.000 1.039 3501 V CA -0.405 61.912 62.300 0.028 0.000 0.913 3501 V CB 1.622 33.461 31.823 0.027 0.000 0.983 3501 V HN 0.793 nan 8.190 nan 0.000 0.460 3502 E N 1.148 121.379 120.200 0.052 0.000 2.228 3502 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 3502 E C 0.722 177.357 176.600 0.058 0.000 0.909 3502 E CA 0.112 56.540 56.400 0.046 0.000 0.911 3502 E CB -0.004 29.722 29.700 0.044 0.000 0.887 3502 E HN 0.693 nan 8.360 nan 0.000 0.481 3503 H N 2.734 121.808 119.070 0.006 0.000 2.803 3503 H HA 0.043 4.599 4.556 -0.001 0.000 0.330 3503 H C -1.713 173.618 175.328 0.005 0.000 1.057 3503 H CA -1.411 54.641 56.048 0.007 0.000 1.458 3503 H CB 1.529 31.291 29.762 -0.001 0.000 1.470 3503 H HN -0.207 nan 8.280 nan 0.000 0.560 3504 P HA -0.147 nan 4.420 nan 0.000 0.216 3504 P C 1.075 178.484 177.300 0.183 0.000 1.150 3504 P CA 2.023 65.158 63.100 0.058 0.000 0.843 3504 P CB 0.118 31.793 31.700 -0.042 0.000 0.787 3505 A N 0.011 123.095 122.820 0.440 0.000 1.877 3505 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 3505 A C 2.329 179.962 177.584 0.082 0.000 1.186 3505 A CA 2.074 54.230 52.037 0.198 0.000 0.620 3505 A CB -1.565 17.461 19.000 0.043 0.000 0.822 3505 A HN 0.201 nan 8.150 nan 0.000 0.443 3506 A N -0.362 122.508 122.820 0.083 0.000 1.969 3506 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 3506 A C 2.078 179.688 177.584 0.043 0.000 1.169 3506 A CA 1.657 53.714 52.037 0.034 0.000 0.635 3506 A CB -0.359 18.657 19.000 0.027 0.000 0.810 3506 A HN 0.542 nan 8.150 nan 0.000 0.445 3507 K N -0.957 119.482 120.400 0.065 0.000 2.097 3507 K HA -0.035 4.285 4.320 -0.001 0.000 0.205 3507 K C 1.856 178.477 176.600 0.035 0.000 1.050 3507 K CA 1.294 57.607 56.287 0.043 0.000 0.938 3507 K CB -0.191 32.334 32.500 0.041 0.000 0.718 3507 K HN 0.347 nan 8.250 nan 0.000 0.442 3508 M N 0.624 120.249 119.600 0.041 0.000 2.288 3508 M HA -0.052 4.428 4.480 -0.001 0.000 0.266 3508 M C 2.169 178.483 176.300 0.024 0.000 1.072 3508 M CA 1.036 56.355 55.300 0.032 0.000 1.132 3508 M CB -0.670 31.952 32.600 0.037 0.000 1.386 3508 M HN 0.200 nan 8.290 nan 0.000 0.432 3509 L N 0.369 121.605 121.223 0.021 0.000 2.046 3509 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 3509 L C 2.224 179.099 176.870 0.009 0.000 1.077 3509 L CA 1.224 56.071 54.840 0.010 0.000 0.747 3509 L CB -0.175 41.885 42.059 0.001 0.000 0.896 3509 L HN 0.156 nan 8.230 nan 0.000 0.432 3510 I N -0.333 120.244 120.570 0.012 0.000 2.208 3510 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 3510 I C 2.468 178.591 176.117 0.010 0.000 1.097 3510 I CA 1.054 62.359 61.300 0.010 0.000 1.363 3510 I CB -0.404 37.603 38.000 0.012 0.000 1.051 3510 I HN 0.310 nan 8.210 nan 0.000 0.413 3511 E N 0.468 120.676 120.200 0.013 0.000 2.118 3511 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 3511 E C 2.419 179.026 176.600 0.011 0.000 0.992 3511 E CA 1.161 57.569 56.400 0.012 0.000 0.804 3511 E CB -0.260 29.449 29.700 0.015 0.000 0.741 3511 E HN 0.367 nan 8.360 nan 0.000 0.458 3512 V N 1.468 121.389 119.914 0.011 0.000 2.358 3512 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 3512 V C 2.462 178.559 176.094 0.006 0.000 1.047 3512 V CA 1.715 64.021 62.300 0.010 0.000 1.035 3512 V CB -0.808 31.021 31.823 0.009 0.000 0.658 3512 V HN 0.239 nan 8.190 nan 0.000 0.452 3513 A N -0.318 122.505 122.820 0.004 0.000 1.933 3513 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 3513 A C 2.284 179.869 177.584 0.003 0.000 1.175 3513 A CA 1.822 53.860 52.037 0.001 0.000 0.628 3513 A CB -0.400 18.600 19.000 -0.000 0.000 0.814 3513 A HN 0.543 nan 8.150 nan 0.000 0.444 3514 K N -0.930 119.473 120.400 0.005 0.000 2.155 3514 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 3514 K C 1.970 178.573 176.600 0.006 0.000 1.052 3514 K CA 1.513 57.803 56.287 0.005 0.000 0.948 3514 K CB -0.279 32.225 32.500 0.006 0.000 0.728 3514 K HN 0.460 nan 8.250 nan 0.000 0.448 3515 T N 1.191 115.749 114.554 0.007 0.000 2.777 3515 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 3515 T C 1.830 176.534 174.700 0.007 0.000 1.040 3515 T CA 1.360 63.465 62.100 0.008 0.000 1.141 3515 T CB -0.128 68.746 68.868 0.010 0.000 0.868 3515 T HN 0.179 nan 8.240 nan 0.000 0.444 3516 Q N 1.393 121.197 119.800 0.005 0.000 2.096 3516 Q HA -0.127 4.213 4.340 -0.001 0.000 0.204 3516 Q C 2.099 178.101 176.000 0.004 0.000 0.982 3516 Q CA 1.919 57.724 55.803 0.004 0.000 0.850 3516 Q CB -0.264 28.475 28.738 0.001 0.000 0.901 3516 Q HN 0.679 nan 8.270 nan 0.000 0.422 3517 E N -0.740 119.462 120.200 0.003 0.000 2.072 3517 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 3517 E C 1.590 178.192 176.600 0.004 0.000 0.985 3517 E CA 0.974 57.376 56.400 0.003 0.000 0.801 3517 E CB 0.063 29.765 29.700 0.003 0.000 0.750 3517 E HN 0.139 nan 8.360 nan 0.000 0.452 3518 K N 0.371 120.774 120.400 0.004 0.000 2.147 3518 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 3518 K C 1.939 178.542 176.600 0.005 0.000 1.049 3518 K CA 0.997 57.287 56.287 0.005 0.000 0.936 3518 K CB 0.028 32.531 32.500 0.005 0.000 0.722 3518 K HN 0.239 nan 8.250 nan 0.000 0.446 3519 E N -0.010 120.193 120.200 0.006 0.000 2.045 3519 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 3519 E C 2.228 178.831 176.600 0.006 0.000 0.968 3519 E CA 0.758 57.162 56.400 0.006 0.000 0.813 3519 E CB -0.049 29.656 29.700 0.008 0.000 0.780 3519 E HN -0.025 nan 8.360 nan 0.000 0.455 3520 V N -0.785 119.132 119.914 0.006 0.000 2.788 3520 V HA 0.206 4.326 4.120 -0.001 0.000 0.241 3520 V C 1.680 177.777 176.094 0.005 0.000 1.083 3520 V CA 1.161 63.465 62.300 0.006 0.000 1.103 3520 V CB 0.274 32.100 31.823 0.005 0.000 0.800 3520 V HN 0.509 nan 8.190 nan 0.000 0.476 3521 G N 0.295 109.098 108.800 0.004 0.000 4.677 3521 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.215 3521 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.215 3521 G C 0.168 175.071 174.900 0.004 0.000 1.506 3521 G CA 0.327 45.429 45.100 0.004 0.000 1.016 3521 G HN 0.482 nan 8.290 nan 0.000 0.653 3522 D N 1.668 122.072 120.400 0.005 0.000 2.377 3522 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 3522 D C 1.482 177.784 176.300 0.003 0.000 1.196 3522 D CA 1.588 55.591 54.000 0.005 0.000 0.962 3522 D CB 0.390 41.195 40.800 0.008 0.000 1.127 3522 D HN 1.800 nan 8.370 nan 0.000 0.471 3523 G N 0.234 109.035 108.800 0.001 0.000 2.147 3523 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 3523 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 3523 G C 1.020 175.915 174.900 -0.007 0.000 1.005 3523 G CA 1.327 46.424 45.100 -0.004 0.000 0.713 3523 G HN 0.658 nan 8.290 nan 0.000 0.515 3524 T N -3.390 111.160 114.554 -0.006 0.000 2.833 3524 T HA -0.083 4.267 4.350 -0.001 0.000 0.269 3524 T C 2.202 176.895 174.700 -0.012 0.000 1.054 3524 T CA 2.461 64.557 62.100 -0.007 0.000 1.135 3524 T CB -0.366 68.499 68.868 -0.005 0.000 0.869 3524 T HN 0.308 nan 8.240 nan 0.000 0.466 3525 T N 1.883 116.428 114.554 -0.015 0.000 2.732 3525 T HA -0.044 4.306 4.350 -0.001 0.000 0.261 3525 T C 2.294 176.977 174.700 -0.027 0.000 1.040 3525 T CA 1.694 63.782 62.100 -0.021 0.000 1.145 3525 T CB -0.922 67.933 68.868 -0.022 0.000 0.866 3525 T HN 0.471 nan 8.240 nan 0.000 0.427 3526 T N 2.330 116.868 114.554 -0.026 0.000 2.665 3526 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 3526 T C 2.364 177.041 174.700 -0.038 0.000 1.035 3526 T CA 1.356 63.435 62.100 -0.034 0.000 1.151 3526 T CB -0.644 68.207 68.868 -0.029 0.000 0.862 3526 T HN 0.424 nan 8.240 nan 0.000 0.438 3527 A N 0.789 123.591 122.820 -0.030 0.000 1.908 3527 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 3527 A C 2.596 180.160 177.584 -0.034 0.000 1.181 3527 A CA 1.620 53.640 52.037 -0.029 0.000 0.627 3527 A CB -0.975 18.015 19.000 -0.017 0.000 0.818 3527 A HN 0.384 nan 8.150 nan 0.000 0.445 3528 V N -0.604 119.292 119.914 -0.030 0.000 2.453 3528 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 3528 V C 2.544 178.613 176.094 -0.043 0.000 1.048 3528 V CA 1.708 63.989 62.300 -0.031 0.000 1.049 3528 V CB -0.587 31.220 31.823 -0.026 0.000 0.672 3528 V HN 0.365 nan 8.190 nan 0.000 0.457 3529 V N -0.197 119.689 119.914 -0.047 0.000 2.343 3529 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 3529 V C 2.438 178.488 176.094 -0.074 0.000 1.051 3529 V CA 1.877 64.143 62.300 -0.056 0.000 1.036 3529 V CB -0.414 31.376 31.823 -0.055 0.000 0.654 3529 V HN 0.400 nan 8.190 nan 0.000 0.451 3530 V N 0.359 120.224 119.914 -0.083 0.000 2.295 3530 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 3530 V C 2.704 178.721 176.094 -0.128 0.000 1.049 3530 V CA 2.105 64.334 62.300 -0.119 0.000 1.024 3530 V CB -1.123 30.628 31.823 -0.121 0.000 0.648 3530 V HN 0.562 nan 8.190 nan 0.000 0.447 3531 A N 0.325 123.091 122.820 -0.089 0.000 1.972 3531 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 3531 A C 2.375 179.924 177.584 -0.058 0.000 1.169 3531 A CA 1.794 53.790 52.037 -0.068 0.000 0.635 3531 A CB -1.065 17.914 19.000 -0.035 0.000 0.810 3531 A HN 0.534 nan 8.150 nan 0.000 0.446 3532 G N -0.372 108.393 108.800 -0.059 0.000 2.404 3532 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.215 3532 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.215 3532 G C 1.483 176.350 174.900 -0.054 0.000 1.174 3532 G CA 1.275 46.344 45.100 -0.051 0.000 0.780 3532 G HN 0.544 nan 8.290 nan 0.000 0.537 3533 E N -0.002 120.154 120.200 -0.074 0.000 2.152 3533 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 3533 E C 2.284 178.832 176.600 -0.086 0.000 0.983 3533 E CA 0.370 56.723 56.400 -0.078 0.000 0.818 3533 E CB -0.407 29.235 29.700 -0.098 0.000 0.758 3533 E HN 0.258 nan 8.360 nan 0.000 0.467 3534 L N 0.111 121.258 121.223 -0.126 0.000 2.083 3534 L HA -0.068 4.271 4.340 -0.001 0.000 0.209 3534 L C 2.025 178.892 176.870 -0.004 0.000 1.083 3534 L CA 1.587 56.328 54.840 -0.165 0.000 0.752 3534 L CB -0.411 41.500 42.059 -0.246 0.000 0.899 3534 L HN 0.256 nan 8.230 nan 0.000 0.433 3535 L N -1.165 120.065 121.223 0.013 0.000 2.093 3535 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 3535 L C 2.732 179.627 176.870 0.042 0.000 1.085 3535 L CA 0.977 55.849 54.840 0.054 0.000 0.755 3535 L CB -0.445 41.624 42.059 0.017 0.000 0.904 3535 L HN 0.216 nan 8.230 nan 0.000 0.435 3536 R N -0.121 120.385 120.500 0.009 0.000 2.081 3536 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 3536 R C 2.285 178.602 176.300 0.028 0.000 1.131 3536 R CA 0.925 57.027 56.100 0.004 0.000 0.960 3536 R CB -0.143 30.146 30.300 -0.017 0.000 0.856 3536 R HN 0.218 nan 8.270 nan 0.000 0.436 3537 K N 0.376 120.804 120.400 0.046 0.000 2.148 3537 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 3537 K C 2.025 178.723 176.600 0.163 0.000 1.050 3537 K CA 1.196 57.537 56.287 0.090 0.000 0.942 3537 K CB -0.160 32.388 32.500 0.080 0.000 0.724 3537 K HN 0.142 nan 8.250 nan 0.000 0.446 3538 A N 1.607 124.558 122.820 0.219 0.000 1.898 3538 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 3538 A C 2.138 179.757 177.584 0.059 0.000 1.181 3538 A CA 1.370 53.514 52.037 0.178 0.000 0.620 3538 A CB -0.288 18.850 19.000 0.231 0.000 0.819 3538 A HN 0.247 nan 8.150 nan 0.000 0.442 3539 E N 0.266 120.494 120.200 0.046 0.000 2.150 3539 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 3539 E C 1.776 178.382 176.600 0.010 0.000 0.985 3539 E CA 1.282 57.689 56.400 0.012 0.000 0.814 3539 E CB -0.150 29.550 29.700 0.001 0.000 0.752 3539 E HN 0.762 nan 8.360 nan 0.000 0.466 3540 E N 0.208 120.422 120.200 0.023 0.000 2.106 3540 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 3540 E C 2.345 178.956 176.600 0.019 0.000 0.984 3540 E CA 0.684 57.095 56.400 0.019 0.000 0.806 3540 E CB -0.006 29.709 29.700 0.026 0.000 0.750 3540 E HN 0.252 nan 8.360 nan 0.000 0.458 3541 L N 0.307 121.546 121.223 0.027 0.000 2.046 3541 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 3541 L C 2.225 179.090 176.870 -0.009 0.000 1.077 3541 L CA 0.507 55.354 54.840 0.013 0.000 0.747 3541 L CB -0.238 41.825 42.059 0.006 0.000 0.896 3541 L HN 0.168 nan 8.230 nan 0.000 0.432 3542 L N -0.178 121.033 121.223 -0.019 0.000 2.093 3542 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 3542 L C 2.105 178.962 176.870 -0.023 0.000 1.085 3542 L CA 1.721 56.540 54.840 -0.035 0.000 0.755 3542 L CB -0.788 41.247 42.059 -0.041 0.000 0.904 3542 L HN 0.248 nan 8.230 nan 0.000 0.435 3543 D N -1.281 119.113 120.400 -0.011 0.000 2.144 3543 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 3543 D C 1.791 178.090 176.300 -0.002 0.000 0.978 3543 D CA 0.773 54.770 54.000 -0.006 0.000 0.833 3543 D CB 0.162 40.961 40.800 -0.002 0.000 0.961 3543 D HN 0.224 nan 8.370 nan 0.000 0.470 3544 Q N 0.082 119.883 119.800 0.001 0.000 2.466 3544 Q HA 0.010 4.349 4.340 -0.001 0.000 0.210 3544 Q C 0.208 176.211 176.000 0.004 0.000 0.961 3544 Q CA 0.193 55.999 55.803 0.005 0.000 0.953 3544 Q CB -0.078 28.666 28.738 0.011 0.000 1.011 3544 Q HN 0.319 nan 8.270 nan 0.000 0.516 3545 N N -0.621 118.078 118.700 -0.002 0.000 2.776 3545 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 3545 N C -1.323 174.192 175.510 0.008 0.000 1.111 3545 N CA 0.300 53.350 53.050 0.000 0.000 0.711 3545 N CB -1.151 37.341 38.487 0.008 0.000 1.065 3545 N HN -0.025 nan 8.380 nan 0.000 0.556 3546 V N 1.927 121.840 119.914 -0.001 0.000 2.385 3546 V HA 0.126 4.246 4.120 -0.001 0.000 0.269 3546 V C 0.934 177.028 176.094 0.000 0.000 1.043 3546 V CA -0.729 61.577 62.300 0.009 0.000 0.906 3546 V CB 1.016 32.836 31.823 -0.005 0.000 0.995 3546 V HN 0.327 nan 8.190 nan 0.000 0.467 3547 H N 8.339 127.389 119.070 -0.032 0.000 3.034 3547 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 3547 H C -1.684 173.612 175.328 -0.052 0.000 1.015 3547 H CA -1.221 54.806 56.048 -0.034 0.000 1.429 3547 H CB 1.644 31.389 29.762 -0.028 0.000 1.429 3547 H HN 0.380 nan 8.280 nan 0.000 0.585 3548 P HA -0.178 nan 4.420 nan 0.000 0.217 3548 P C 1.522 178.852 177.300 0.050 0.000 1.148 3548 P CA 1.800 64.837 63.100 -0.106 0.000 0.834 3548 P CB 0.069 31.665 31.700 -0.173 0.000 0.783 3549 T N -1.747 113.000 114.554 0.321 0.000 2.915 3549 T HA -0.078 4.272 4.350 -0.001 0.000 0.269 3549 T C 1.571 176.295 174.700 0.040 0.000 1.071 3549 T CA 0.755 62.946 62.100 0.152 0.000 1.132 3549 T CB -0.515 68.403 68.868 0.084 0.000 0.878 3549 T HN -0.149 nan 8.240 nan 0.000 0.479 3550 I N 0.719 121.319 120.570 0.049 0.000 2.333 3550 I HA -0.014 4.156 4.170 -0.001 0.000 0.246 3550 I C 2.539 178.593 176.117 -0.105 0.000 1.106 3550 I CA 0.813 62.102 61.300 -0.019 0.000 1.411 3550 I CB -1.313 36.690 38.000 0.004 0.000 1.082 3550 I HN 0.151 nan 8.210 nan 0.000 0.420 3551 V N 0.736 120.549 119.914 -0.167 0.000 2.343 3551 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 3551 V C 2.699 178.468 176.094 -0.542 0.000 1.051 3551 V CA 1.306 63.350 62.300 -0.427 0.000 1.036 3551 V CB -0.558 31.028 31.823 -0.395 0.000 0.654 3551 V HN 0.167 nan 8.190 nan 0.000 0.451 3552 V N 0.059 119.823 119.914 -0.249 0.000 2.261 3552 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 3552 V C 2.485 178.540 176.094 -0.066 0.000 1.047 3552 V CA 2.381 64.612 62.300 -0.116 0.000 1.015 3552 V CB -0.673 31.128 31.823 -0.037 0.000 0.642 3552 V HN 0.531 nan 8.190 nan 0.000 0.446 3553 K N 1.114 121.475 120.400 -0.065 0.000 2.026 3553 K HA -0.105 4.215 4.320 -0.001 0.000 0.208 3553 K C 2.051 178.628 176.600 -0.039 0.000 1.048 3553 K CA 1.944 58.207 56.287 -0.040 0.000 0.929 3553 K CB -1.167 31.312 32.500 -0.035 0.000 0.713 3553 K HN 0.387 nan 8.250 nan 0.000 0.439 3554 G N -0.808 107.962 108.800 -0.051 0.000 2.418 3554 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 3554 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 3554 G C 1.210 176.145 174.900 0.058 0.000 1.158 3554 G CA 0.836 45.939 45.100 0.005 0.000 0.771 3554 G HN 0.268 nan 8.290 nan 0.000 0.545 3555 Y N 0.404 120.628 120.300 -0.128 0.000 2.200 3555 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 3555 Y C 2.891 178.546 175.900 -0.409 0.000 1.137 3555 Y CA 1.077 59.017 58.100 -0.266 0.000 1.163 3555 Y CB -0.946 37.545 38.460 0.052 0.000 0.988 3555 Y HN 0.270 nan 8.280 nan 0.000 0.518 3556 Q N 0.319 120.107 119.800 -0.019 0.000 2.123 3556 Q HA -0.031 4.309 4.340 -0.001 0.000 0.199 3556 Q C 2.290 178.219 176.000 -0.118 0.000 0.966 3556 Q CA 1.528 57.300 55.803 -0.052 0.000 0.845 3556 Q CB -0.404 28.329 28.738 -0.008 0.000 0.907 3556 Q HN 0.328 nan 8.270 nan 0.000 0.439 3557 A N 0.270 123.018 122.820 -0.120 0.000 1.855 3557 A HA -0.005 4.314 4.320 -0.001 0.000 0.215 3557 A C 2.278 179.768 177.584 -0.157 0.000 1.191 3557 A CA 1.860 53.834 52.037 -0.106 0.000 0.613 3557 A CB -1.196 17.765 19.000 -0.066 0.000 0.829 3557 A HN 0.494 nan 8.150 nan 0.000 0.442 3558 A N -0.319 122.317 122.820 -0.307 0.000 1.930 3558 A HA 0.232 4.552 4.320 -0.001 0.000 0.217 3558 A C 2.458 179.792 177.584 -0.416 0.000 1.175 3558 A CA 1.874 53.683 52.037 -0.381 0.000 0.627 3558 A CB -0.904 17.731 19.000 -0.608 0.000 0.815 3558 A HN 1.028 nan 8.150 nan 0.000 0.443 3559 A N -1.078 121.362 122.820 -0.632 0.000 1.930 3559 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 3559 A C 2.097 179.661 177.584 -0.033 0.000 1.175 3559 A CA 1.542 53.471 52.037 -0.180 0.000 0.627 3559 A CB -0.398 18.546 19.000 -0.093 0.000 0.815 3559 A HN 0.481 nan 8.150 nan 0.000 0.443 3560 Q N -0.069 119.693 119.800 -0.063 0.000 2.119 3560 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 3560 Q C 1.750 177.758 176.000 0.013 0.000 0.972 3560 Q CA 1.210 57.003 55.803 -0.017 0.000 0.847 3560 Q CB -0.268 28.452 28.738 -0.031 0.000 0.903 3560 Q HN 0.516 nan 8.270 nan 0.000 0.433 3561 K N 0.226 120.643 120.400 0.027 0.000 2.167 3561 K HA 0.100 4.419 4.320 -0.001 0.000 0.203 3561 K C 1.945 178.634 176.600 0.148 0.000 1.052 3561 K CA 0.800 57.147 56.287 0.100 0.000 0.956 3561 K CB -0.101 32.506 32.500 0.179 0.000 0.735 3561 K HN 0.113 nan 8.250 nan 0.000 0.451 3562 A N 1.575 124.474 122.820 0.132 0.000 1.902 3562 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 3562 A C 2.131 179.779 177.584 0.107 0.000 1.181 3562 A CA 1.374 53.500 52.037 0.148 0.000 0.623 3562 A CB -0.382 18.756 19.000 0.229 0.000 0.818 3562 A HN 0.350 nan 8.150 nan 0.000 0.443 3563 Q N -0.879 118.973 119.800 0.087 0.000 2.172 3563 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 3563 Q C 1.882 177.917 176.000 0.057 0.000 0.964 3563 Q CA 1.101 56.942 55.803 0.064 0.000 0.855 3563 Q CB -0.090 28.679 28.738 0.050 0.000 0.918 3563 Q HN 0.582 nan 8.270 nan 0.000 0.444 3564 E N 0.530 120.766 120.200 0.062 0.000 2.110 3564 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 3564 E C 1.948 178.593 176.600 0.075 0.000 0.988 3564 E CA 0.799 57.234 56.400 0.058 0.000 0.804 3564 E CB 0.004 29.736 29.700 0.052 0.000 0.745 3564 E HN 0.218 nan 8.360 nan 0.000 0.458 3565 L N 0.456 121.739 121.223 0.100 0.000 2.093 3565 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 3565 L C 2.423 179.335 176.870 0.069 0.000 1.085 3565 L CA 1.123 56.023 54.840 0.100 0.000 0.755 3565 L CB -0.821 41.305 42.059 0.111 0.000 0.904 3565 L HN 0.095 nan 8.230 nan 0.000 0.435 3566 L N -1.030 120.230 121.223 0.062 0.000 2.093 3566 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 3566 L C 2.432 179.326 176.870 0.041 0.000 1.085 3566 L CA 1.196 56.064 54.840 0.047 0.000 0.755 3566 L CB -0.450 41.635 42.059 0.043 0.000 0.904 3566 L HN 0.231 nan 8.230 nan 0.000 0.435 3567 K N -0.772 119.653 120.400 0.041 0.000 2.155 3567 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 3567 K C 2.045 178.666 176.600 0.034 0.000 1.052 3567 K CA 1.445 57.752 56.287 0.033 0.000 0.948 3567 K CB -0.135 32.383 32.500 0.030 0.000 0.728 3567 K HN 0.263 nan 8.250 nan 0.000 0.448 3568 T N 1.950 116.529 114.554 0.042 0.000 2.777 3568 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 3568 T C 1.852 176.574 174.700 0.037 0.000 1.040 3568 T CA 1.264 63.389 62.100 0.042 0.000 1.141 3568 T CB -0.120 68.782 68.868 0.057 0.000 0.868 3568 T HN 0.384 nan 8.240 nan 0.000 0.444 3569 I N -0.453 120.141 120.570 0.040 0.000 3.728 3569 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 3569 I C 1.019 177.154 176.117 0.030 0.000 1.276 3569 I CA -0.596 60.726 61.300 0.037 0.000 1.285 3569 I CB -0.427 37.602 38.000 0.048 0.000 1.038 3569 I HN -0.056 nan 8.210 nan 0.000 0.445 3570 A N 1.501 124.338 122.820 0.028 0.000 2.567 3570 A HA 0.122 4.441 4.320 -0.001 0.000 0.240 3570 A C 0.098 177.693 177.584 0.019 0.000 1.053 3570 A CA -0.000 52.051 52.037 0.023 0.000 0.755 3570 A CB -0.184 18.830 19.000 0.022 0.000 0.978 3570 A HN 0.639 nan 8.150 nan 0.000 0.507 3571 C N 3.758 123.068 119.300 0.016 0.000 2.273 3571 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 3571 C C 0.317 175.313 174.990 0.011 0.000 1.275 3571 C CA -0.682 58.343 59.018 0.013 0.000 1.704 3571 C CB -0.793 26.954 27.740 0.012 0.000 2.326 3571 C HN 0.881 nan 8.230 nan 0.000 0.517 3572 E N 3.690 123.895 120.200 0.010 0.000 2.316 3572 E HA 0.423 4.773 4.350 -0.001 0.000 0.275 3572 E C -0.112 176.492 176.600 0.007 0.000 1.029 3572 E CA -0.062 56.343 56.400 0.008 0.000 0.871 3572 E CB 1.165 30.869 29.700 0.008 0.000 1.022 3572 E HN 0.700 nan 8.360 nan 0.000 0.418 3573 V N -0.511 119.407 119.914 0.006 0.000 3.040 3573 V HA 0.730 4.849 4.120 -0.001 0.000 0.312 3573 V C 0.320 176.417 176.094 0.005 0.000 1.115 3573 V CA -1.135 61.168 62.300 0.005 0.000 0.998 3573 V CB 1.673 33.499 31.823 0.005 0.000 1.042 3573 V HN 0.660 nan 8.190 nan 0.000 0.433 3574 G N 0.609 109.411 108.800 0.004 0.000 2.365 3574 G HA2 0.482 4.441 3.960 -0.001 0.000 0.249 3574 G HA3 0.482 4.441 3.960 -0.001 0.000 0.249 3574 G C 0.965 175.867 174.900 0.004 0.000 1.288 3574 G CA 0.127 45.229 45.100 0.003 0.000 0.887 3574 G HN 1.656 nan 8.290 nan 0.000 0.524 3575 A N 2.347 125.170 122.820 0.004 0.000 1.940 3575 A HA -0.058 4.262 4.320 -0.001 0.000 0.219 3575 A C 1.942 179.529 177.584 0.004 0.000 1.176 3575 A CA 1.198 53.238 52.037 0.004 0.000 0.631 3575 A CB -0.003 19.000 19.000 0.004 0.000 0.814 3575 A HN 0.516 nan 8.150 nan 0.000 0.446 3576 Q N 0.007 119.809 119.800 0.003 0.000 2.201 3576 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 3576 Q C -0.945 175.056 176.000 0.002 0.000 0.857 3576 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 3576 Q CB 0.024 28.765 28.738 0.003 0.000 1.124 3576 Q HN 0.720 nan 8.270 nan 0.000 0.473 3577 D N 0.727 121.128 120.400 0.002 0.000 2.344 3577 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 3577 D C 1.250 177.551 176.300 0.001 0.000 1.255 3577 D CA 0.064 54.065 54.000 0.001 0.000 0.894 3577 D CB 0.884 41.685 40.800 0.001 0.000 1.067 3577 D HN -0.218 nan 8.370 nan 0.000 0.492 3578 K N 3.408 123.808 120.400 0.000 0.000 2.077 3578 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 3578 K C 1.553 178.152 176.600 -0.002 0.000 1.051 3578 K CA 2.068 58.355 56.287 -0.001 0.000 0.929 3578 K CB -0.106 32.394 32.500 -0.001 0.000 0.715 3578 K HN 0.660 nan 8.250 nan 0.000 0.451 3579 E N -0.451 119.748 120.200 -0.003 0.000 2.023 3579 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 3579 E C 1.993 178.590 176.600 -0.004 0.000 1.003 3579 E CA 1.659 58.056 56.400 -0.004 0.000 0.809 3579 E CB -0.274 29.423 29.700 -0.004 0.000 0.755 3579 E HN 0.340 nan 8.360 nan 0.000 0.449 3580 I N 0.582 121.151 120.570 -0.002 0.000 2.454 3580 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 3580 I C 1.877 177.994 176.117 0.000 0.000 1.156 3580 I CA 0.728 62.028 61.300 -0.000 0.000 1.433 3580 I CB -0.059 37.942 38.000 0.002 0.000 1.082 3580 I HN 0.212 nan 8.210 nan 0.000 0.432 3581 L N 0.063 121.286 121.223 -0.000 0.000 2.141 3581 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 3581 L C 2.643 179.513 176.870 -0.001 0.000 1.094 3581 L CA 2.295 57.136 54.840 0.001 0.000 0.763 3581 L CB -1.564 40.495 42.059 0.001 0.000 0.908 3581 L HN 0.493 nan 8.230 nan 0.000 0.437 3582 T N -4.952 109.600 114.554 -0.003 0.000 3.035 3582 T HA -0.068 4.282 4.350 -0.001 0.000 0.259 3582 T C 1.898 176.593 174.700 -0.009 0.000 1.078 3582 T CA 0.434 62.530 62.100 -0.006 0.000 1.132 3582 T CB -0.064 68.799 68.868 -0.008 0.000 0.900 3582 T HN 0.178 nan 8.240 nan 0.000 0.480 3583 K N 0.615 121.010 120.400 -0.007 0.000 2.057 3583 K HA 0.098 4.418 4.320 -0.001 0.000 0.206 3583 K C 2.143 178.742 176.600 -0.003 0.000 1.050 3583 K CA 0.961 57.243 56.287 -0.008 0.000 0.935 3583 K CB -0.182 32.315 32.500 -0.006 0.000 0.715 3583 K HN 0.252 nan 8.250 nan 0.000 0.439 3584 I N 1.300 121.871 120.570 0.001 0.000 2.202 3584 I HA -0.218 3.952 4.170 -0.001 0.000 0.242 3584 I C 2.517 178.638 176.117 0.006 0.000 1.091 3584 I CA 1.263 62.566 61.300 0.005 0.000 1.368 3584 I CB -1.343 36.660 38.000 0.006 0.000 1.058 3584 I HN 0.104 nan 8.210 nan 0.000 0.410 3585 A N 0.772 123.594 122.820 0.003 0.000 1.865 3585 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 3585 A C 2.397 179.982 177.584 0.002 0.000 1.191 3585 A CA 1.900 53.939 52.037 0.003 0.000 0.623 3585 A CB -0.659 18.341 19.000 0.000 0.000 0.826 3585 A HN 0.356 nan 8.150 nan 0.000 0.444 3586 M N -0.840 118.757 119.600 -0.005 0.000 2.159 3586 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 3586 M C 2.207 178.504 176.300 -0.006 0.000 1.063 3586 M CA 1.789 57.080 55.300 -0.014 0.000 1.110 3586 M CB -0.639 31.942 32.600 -0.031 0.000 1.374 3586 M HN 0.472 nan 8.290 nan 0.000 0.411 3587 T N -0.245 114.312 114.554 0.004 0.000 2.665 3587 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 3587 T C 1.954 176.679 174.700 0.043 0.000 1.035 3587 T CA 2.020 64.136 62.100 0.026 0.000 1.151 3587 T CB -0.319 68.564 68.868 0.026 0.000 0.862 3587 T HN 0.398 nan 8.240 nan 0.000 0.438 3588 S N 0.205 115.923 115.700 0.029 0.000 2.371 3588 S HA 0.034 4.504 4.470 -0.001 0.000 0.224 3588 S C 2.057 176.679 174.600 0.037 0.000 1.029 3588 S CA 0.569 58.787 58.200 0.031 0.000 0.978 3588 S CB -0.429 62.784 63.200 0.021 0.000 0.833 3588 S HN 0.451 nan 8.310 nan 0.000 0.466 3589 I N 1.681 122.267 120.570 0.028 0.000 2.226 3589 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 3589 I C 1.321 177.465 176.117 0.045 0.000 1.100 3589 I CA 0.966 62.282 61.300 0.026 0.000 1.374 3589 I CB -0.934 37.072 38.000 0.010 0.000 1.057 3589 I HN 0.415 nan 8.210 nan 0.000 0.413 3590 T N -0.410 114.177 114.554 0.054 0.000 2.903 3590 T HA 0.326 4.676 4.350 -0.001 0.000 0.314 3590 T C 1.083 175.912 174.700 0.215 0.000 1.078 3590 T CA 0.090 62.250 62.100 0.101 0.000 1.114 3590 T CB 1.226 70.119 68.868 0.042 0.000 0.987 3590 T HN 0.636 nan 8.240 nan 0.000 0.548 3591 G N 0.492 109.468 108.800 0.294 0.000 2.141 3591 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 3591 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 3591 G C -0.134 174.832 174.900 0.109 0.000 0.982 3591 G CA 0.317 45.549 45.100 0.220 0.000 0.662 3591 G HN 0.947 nan 8.290 nan 0.000 0.527 3592 K N -0.203 120.254 120.400 0.095 0.000 2.328 3592 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 3592 K C 1.565 178.196 176.600 0.052 0.000 0.955 3592 K CA 0.179 56.500 56.287 0.058 0.000 0.817 3592 K CB 0.971 33.498 32.500 0.045 0.000 1.208 3592 K HN 0.282 nan 8.250 nan 0.000 0.432 3593 G N 1.148 109.972 108.800 0.039 0.000 2.450 3593 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.220 3593 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.220 3593 G C 1.049 175.965 174.900 0.028 0.000 1.130 3593 G CA 1.035 46.155 45.100 0.033 0.000 0.760 3593 G HN 0.638 nan 8.290 nan 0.000 0.557 3594 A N 1.347 124.183 122.820 0.027 0.000 2.209 3594 A HA 0.092 4.411 4.320 -0.001 0.000 0.212 3594 A C 2.090 179.683 177.584 0.015 0.000 1.158 3594 A CA 1.497 53.546 52.037 0.020 0.000 0.742 3594 A CB -0.381 18.631 19.000 0.020 0.000 0.790 3594 A HN 0.661 nan 8.150 nan 0.000 0.472 3595 E N 1.380 121.591 120.200 0.019 0.000 2.333 3595 E HA -0.283 4.066 4.350 -0.001 0.000 0.198 3595 E C 1.558 178.154 176.600 -0.006 0.000 1.007 3595 E CA 1.303 57.706 56.400 0.005 0.000 0.845 3595 E CB -0.542 29.164 29.700 0.009 0.000 0.766 3595 E HN 0.792 nan 8.360 nan 0.000 0.507 3596 K N 0.800 121.201 120.400 0.002 0.000 2.281 3596 K HA -0.080 4.239 4.320 -0.001 0.000 0.203 3596 K C 1.467 178.064 176.600 -0.005 0.000 1.046 3596 K CA 1.466 57.752 56.287 -0.002 0.000 0.938 3596 K CB -0.010 32.493 32.500 0.005 0.000 0.737 3596 K HN 0.165 nan 8.250 nan 0.000 0.458 3597 A N 1.784 124.602 122.820 -0.003 0.000 2.606 3597 A HA 0.137 4.457 4.320 -0.001 0.000 0.290 3597 A C 1.347 178.928 177.584 -0.006 0.000 1.174 3597 A CA -0.561 51.474 52.037 -0.004 0.000 0.958 3597 A CB -0.041 18.960 19.000 0.001 0.000 1.194 3597 A HN 0.414 nan 8.150 nan 0.000 0.526 3598 K N 0.187 120.580 120.400 -0.011 0.000 2.281 3598 K HA -0.197 4.122 4.320 -0.001 0.000 0.203 3598 K C 0.833 177.425 176.600 -0.015 0.000 1.046 3598 K CA 1.905 58.184 56.287 -0.014 0.000 0.938 3598 K CB -0.114 32.370 32.500 -0.026 0.000 0.737 3598 K HN 0.313 nan 8.250 nan 0.000 0.458 3599 E N 1.299 121.489 120.200 -0.016 0.000 2.072 3599 E HA -0.098 4.252 4.350 -0.001 0.000 0.190 3599 E C 1.754 178.349 176.600 -0.008 0.000 0.982 3599 E CA 1.244 57.636 56.400 -0.014 0.000 0.803 3599 E CB 0.050 29.741 29.700 -0.015 0.000 0.755 3599 E HN 0.258 nan 8.360 nan 0.000 0.453 3600 K N 0.330 120.727 120.400 -0.005 0.000 2.057 3600 K HA 0.006 4.326 4.320 -0.001 0.000 0.206 3600 K C 1.971 178.571 176.600 0.001 0.000 1.050 3600 K CA 0.750 57.037 56.287 -0.001 0.000 0.935 3600 K CB -0.305 32.195 32.500 0.001 0.000 0.715 3600 K HN 0.057 nan 8.250 nan 0.000 0.439 3601 L N 0.101 121.324 121.223 0.000 0.000 2.046 3601 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 3601 L C 2.373 179.244 176.870 0.001 0.000 1.077 3601 L CA 1.404 56.246 54.840 0.002 0.000 0.747 3601 L CB -0.603 41.458 42.059 0.003 0.000 0.896 3601 L HN 0.196 nan 8.230 nan 0.000 0.432 3602 A N -0.240 122.579 122.820 -0.002 0.000 1.933 3602 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 3602 A C 2.176 179.759 177.584 -0.001 0.000 1.175 3602 A CA 1.811 53.846 52.037 -0.003 0.000 0.628 3602 A CB -0.428 18.568 19.000 -0.007 0.000 0.814 3602 A HN 0.387 nan 8.150 nan 0.000 0.444 3603 E N 0.198 120.397 120.200 -0.001 0.000 2.051 3603 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 3603 E C 1.755 178.357 176.600 0.003 0.000 0.991 3603 E CA 1.423 57.824 56.400 0.000 0.000 0.799 3603 E CB -0.229 29.471 29.700 -0.000 0.000 0.748 3603 E HN 0.468 nan 8.360 nan 0.000 0.449 3604 I N 0.275 120.848 120.570 0.004 0.000 2.226 3604 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 3604 I C 2.137 178.257 176.117 0.006 0.000 1.100 3604 I CA 0.955 62.259 61.300 0.006 0.000 1.374 3604 I CB -0.799 37.205 38.000 0.008 0.000 1.057 3604 I HN 0.197 nan 8.210 nan 0.000 0.413 3605 I N -0.062 120.511 120.570 0.004 0.000 2.406 3605 I HA -0.149 4.021 4.170 -0.001 0.000 0.249 3605 I C 2.487 178.607 176.117 0.004 0.000 1.122 3605 I CA 0.898 62.200 61.300 0.004 0.000 1.431 3605 I CB -0.404 37.598 38.000 0.004 0.000 1.087 3605 I HN -0.095 nan 8.210 nan 0.000 0.424 3606 V N 0.281 120.196 119.914 0.003 0.000 2.358 3606 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 3606 V C 2.449 178.545 176.094 0.004 0.000 1.047 3606 V CA 1.530 63.831 62.300 0.003 0.000 1.035 3606 V CB -0.581 31.243 31.823 0.002 0.000 0.658 3606 V HN 0.380 nan 8.190 nan 0.000 0.452 3607 E N 0.385 120.587 120.200 0.004 0.000 2.072 3607 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 3607 E C 2.378 178.982 176.600 0.006 0.000 0.985 3607 E CA 1.414 57.817 56.400 0.005 0.000 0.801 3607 E CB -0.459 29.245 29.700 0.006 0.000 0.750 3607 E HN 0.555 nan 8.360 nan 0.000 0.452 3608 A N 1.138 123.962 122.820 0.006 0.000 1.902 3608 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 3608 A C 2.623 180.210 177.584 0.005 0.000 1.181 3608 A CA 1.450 53.490 52.037 0.006 0.000 0.623 3608 A CB -0.690 18.313 19.000 0.005 0.000 0.818 3608 A HN 0.124 nan 8.150 nan 0.000 0.443 3609 V N -0.260 119.657 119.914 0.004 0.000 2.261 3609 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 3609 V C 2.762 178.859 176.094 0.005 0.000 1.047 3609 V CA 2.368 64.671 62.300 0.004 0.000 1.015 3609 V CB -0.833 30.992 31.823 0.004 0.000 0.642 3609 V HN 0.549 nan 8.190 nan 0.000 0.446 3610 S N 0.009 115.713 115.700 0.005 0.000 2.419 3610 S HA -0.125 4.344 4.470 -0.001 0.000 0.233 3610 S C 2.137 176.742 174.600 0.007 0.000 1.016 3610 S CA 1.237 59.441 58.200 0.006 0.000 0.974 3610 S CB -0.394 62.810 63.200 0.006 0.000 0.786 3610 S HN 0.645 nan 8.310 nan 0.000 0.492 3611 A N 1.056 123.881 122.820 0.008 0.000 1.930 3611 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 3611 A C 2.240 179.830 177.584 0.011 0.000 1.175 3611 A CA 1.654 53.696 52.037 0.010 0.000 0.627 3611 A CB -0.537 18.468 19.000 0.009 0.000 0.815 3611 A HN 0.579 nan 8.150 nan 0.000 0.443 3612 V N -3.654 116.265 119.914 0.008 0.000 3.660 3612 V HA 0.134 4.253 4.120 -0.001 0.000 0.276 3612 V C 1.871 177.969 176.094 0.006 0.000 1.317 3612 V CA 0.870 63.174 62.300 0.007 0.000 1.097 3612 V CB -0.303 31.523 31.823 0.004 0.000 0.863 3612 V HN 0.156 nan 8.190 nan 0.000 0.438 3613 V N 1.000 120.917 119.914 0.006 0.000 2.568 3613 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 3613 V C 1.623 177.721 176.094 0.006 0.000 1.072 3613 V CA 2.603 64.907 62.300 0.005 0.000 1.084 3613 V CB -0.596 31.230 31.823 0.005 0.000 0.676 3613 V HN 0.897 nan 8.190 nan 0.000 0.469 3614 D N -1.058 119.347 120.400 0.008 0.000 4.438 3614 D HA -0.222 4.418 4.640 -0.001 0.000 0.158 3614 D C 0.616 176.920 176.300 0.007 0.000 0.686 3614 D CA 1.919 55.924 54.000 0.008 0.000 1.183 3614 D CB -1.235 39.568 40.800 0.005 0.000 0.623 3614 D HN 0.573 nan 8.370 nan 0.000 0.521 3615 D N 1.619 122.021 120.400 0.004 0.000 2.414 3615 D HA 0.216 4.856 4.640 -0.001 0.000 0.251 3615 D C -0.200 176.102 176.300 0.004 0.000 1.252 3615 D CA 0.300 54.302 54.000 0.003 0.000 0.999 3615 D CB 0.407 41.208 40.800 0.002 0.000 1.093 3615 D HN 0.199 nan 8.370 nan 0.000 0.515 3616 E N -0.303 119.899 120.200 0.003 0.000 2.373 3616 E HA 0.549 4.898 4.350 -0.001 0.000 0.233 3616 E C -0.238 176.364 176.600 0.003 0.000 1.035 3616 E CA -0.622 55.781 56.400 0.004 0.000 0.930 3616 E CB 0.625 30.327 29.700 0.004 0.000 1.278 3616 E HN 0.450 nan 8.360 nan 0.000 0.452 3617 G N 1.454 110.256 108.800 0.003 0.000 2.340 3617 G HA2 0.258 4.218 3.960 -0.001 0.000 0.298 3617 G HA3 0.258 4.218 3.960 -0.001 0.000 0.298 3617 G C -1.745 173.157 174.900 0.003 0.000 1.498 3617 G CA -0.736 44.366 45.100 0.003 0.000 0.847 3617 G HN 0.021 nan 8.290 nan 0.000 0.594 3618 K N 0.466 120.868 120.400 0.003 0.000 2.550 3618 K HA 0.541 4.861 4.320 -0.001 0.000 0.252 3618 K C -1.384 175.217 176.600 0.003 0.000 0.943 3618 K CA -0.541 55.747 56.287 0.003 0.000 0.806 3618 K CB 2.260 34.762 32.500 0.002 0.000 1.289 3618 K HN 0.512 nan 8.250 nan 0.000 0.435 3619 V N 3.416 123.331 119.914 0.003 0.000 2.370 3619 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 3619 V C -0.249 175.846 176.094 0.002 0.000 1.029 3619 V CA -0.717 61.585 62.300 0.002 0.000 0.870 3619 V CB 1.319 33.144 31.823 0.003 0.000 0.984 3619 V HN 0.606 nan 8.190 nan 0.000 0.451 3620 D N 4.023 124.423 120.400 0.001 0.000 2.427 3620 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 3620 D C 0.974 177.273 176.300 -0.002 0.000 1.076 3620 D CA -0.386 53.614 54.000 -0.001 0.000 0.849 3620 D CB 1.425 42.224 40.800 -0.002 0.000 1.052 3620 D HN 0.511 nan 8.370 nan 0.000 0.515 3621 K N 2.754 123.153 120.400 -0.002 0.000 2.218 3621 K HA -0.231 4.089 4.320 -0.001 0.000 0.205 3621 K C 0.964 177.560 176.600 -0.006 0.000 1.046 3621 K CA 1.317 57.603 56.287 -0.003 0.000 0.933 3621 K CB 0.161 32.660 32.500 -0.002 0.000 0.728 3621 K HN 0.331 nan 8.250 nan 0.000 0.454 3622 D N 0.193 120.589 120.400 -0.007 0.000 2.309 3622 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 3622 D C 1.389 177.682 176.300 -0.012 0.000 0.968 3622 D CA 0.700 54.694 54.000 -0.010 0.000 0.882 3622 D CB 0.129 40.923 40.800 -0.010 0.000 0.918 3622 D HN 0.263 nan 8.370 nan 0.000 0.503 3623 L N -0.304 120.913 121.223 -0.009 0.000 2.554 3623 L HA 0.172 4.511 4.340 -0.001 0.000 0.226 3623 L C 0.371 177.235 176.870 -0.010 0.000 1.137 3623 L CA 0.181 55.016 54.840 -0.009 0.000 0.863 3623 L CB 0.085 42.142 42.059 -0.004 0.000 0.985 3623 L HN 0.009 nan 8.230 nan 0.000 0.451 3624 I N 0.269 120.833 120.570 -0.010 0.000 2.382 3624 I HA 0.235 4.404 4.170 -0.001 0.000 0.286 3624 I C 0.075 176.183 176.117 -0.015 0.000 1.002 3624 I CA -0.461 60.833 61.300 -0.010 0.000 1.135 3624 I CB 1.681 39.678 38.000 -0.005 0.000 1.288 3624 I HN -0.113 nan 8.210 nan 0.000 0.448 3625 K N 6.624 127.011 120.400 -0.021 0.000 2.172 3625 K HA 0.427 4.747 4.320 -0.001 0.000 0.276 3625 K C -0.705 175.881 176.600 -0.023 0.000 1.013 3625 K CA -0.594 55.676 56.287 -0.028 0.000 0.913 3625 K CB 1.265 33.740 32.500 -0.042 0.000 1.055 3625 K HN 0.451 nan 8.250 nan 0.000 0.461 3626 I N 3.975 124.532 120.570 -0.021 0.000 2.307 3626 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 3626 I C 0.099 176.203 176.117 -0.022 0.000 1.054 3626 I CA -0.584 60.706 61.300 -0.016 0.000 1.218 3626 I CB 0.582 38.576 38.000 -0.010 0.000 1.398 3626 I HN 0.517 nan 8.210 nan 0.000 0.475 3627 E N 7.314 127.499 120.200 -0.025 0.000 2.199 3627 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 3627 E C -0.948 175.640 176.600 -0.019 0.000 0.899 3627 E CA -0.745 55.636 56.400 -0.032 0.000 0.772 3627 E CB 1.405 31.072 29.700 -0.054 0.000 1.155 3627 E HN 0.541 nan 8.360 nan 0.000 0.408 3628 K N 2.910 123.299 120.400 -0.019 0.000 2.471 3628 K HA 0.613 4.932 4.320 -0.001 0.000 0.252 3628 K C -0.929 175.663 176.600 -0.014 0.000 0.938 3628 K CA -1.105 55.176 56.287 -0.011 0.000 0.796 3628 K CB 1.592 34.087 32.500 -0.009 0.000 1.161 3628 K HN 0.097 nan 8.250 nan 0.000 0.425 3629 K N 2.027 122.423 120.400 -0.006 0.000 2.507 3629 K HA 0.218 4.537 4.320 -0.001 0.000 0.251 3629 K C -0.645 175.954 176.600 -0.002 0.000 0.943 3629 K CA -0.582 55.702 56.287 -0.005 0.000 0.794 3629 K CB 2.139 34.644 32.500 0.009 0.000 1.188 3629 K HN 0.992 nan 8.250 nan 0.000 0.428 3630 S N 0.429 116.121 115.700 -0.014 0.000 2.584 3630 S HA 0.675 5.144 4.470 -0.001 0.000 0.270 3630 S C 0.565 175.164 174.600 -0.001 0.000 1.346 3630 S CA 0.326 58.518 58.200 -0.013 0.000 1.018 3630 S CB 0.824 64.007 63.200 -0.029 0.000 0.899 3630 S HN 0.931 nan 8.310 nan 0.000 0.542 3631 G N -0.193 108.608 108.800 0.002 0.000 2.640 3631 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 3631 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 3631 G C -0.042 174.864 174.900 0.010 0.000 1.229 3631 G CA -0.125 44.979 45.100 0.007 0.000 0.796 3631 G HN 2.405 nan 8.290 nan 0.000 0.654 3632 A N -0.332 122.494 122.820 0.009 0.000 5.953 3632 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 3632 A C 1.186 178.776 177.584 0.009 0.000 2.116 3632 A CA 1.971 54.014 52.037 0.010 0.000 0.711 3632 A CB -1.624 17.384 19.000 0.012 0.000 1.100 3632 A HN 2.749 nan 8.150 nan 0.000 0.364 3633 S N -2.832 112.873 115.700 0.009 0.000 2.851 3633 S HA 0.691 5.161 4.470 -0.001 0.000 0.317 3633 S C 1.196 175.802 174.600 0.010 0.000 1.144 3633 S CA -0.109 58.097 58.200 0.010 0.000 0.862 3633 S CB 0.629 63.834 63.200 0.008 0.000 1.259 3633 S HN 1.019 nan 8.310 nan 0.000 0.564 3634 I N 2.009 122.585 120.570 0.010 0.000 2.546 3634 I HA -0.033 4.136 4.170 -0.001 0.000 0.255 3634 I C 1.514 177.636 176.117 0.009 0.000 1.163 3634 I CA 1.182 62.488 61.300 0.010 0.000 1.457 3634 I CB -1.346 36.660 38.000 0.011 0.000 1.092 3634 I HN 0.586 nan 8.210 nan 0.000 0.434 3635 D N 1.246 121.650 120.400 0.007 0.000 2.218 3635 D HA -0.172 4.468 4.640 -0.001 0.000 0.204 3635 D C 1.341 177.646 176.300 0.007 0.000 0.976 3635 D CA 1.192 55.196 54.000 0.005 0.000 0.853 3635 D CB -0.115 40.687 40.800 0.004 0.000 0.939 3635 D HN 0.432 nan 8.370 nan 0.000 0.481 3636 D N -0.175 120.231 120.400 0.009 0.000 2.347 3636 D HA -0.034 4.605 4.640 -0.001 0.000 0.215 3636 D C 0.330 176.639 176.300 0.016 0.000 0.976 3636 D CA 0.425 54.432 54.000 0.012 0.000 0.884 3636 D CB -0.014 40.793 40.800 0.012 0.000 0.915 3636 D HN -0.045 nan 8.370 nan 0.000 0.526 3637 T N 1.785 116.349 114.554 0.016 0.000 2.905 3637 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 3637 T C 0.227 174.939 174.700 0.020 0.000 1.024 3637 T CA 0.383 62.494 62.100 0.019 0.000 1.151 3637 T CB 0.223 69.100 68.868 0.014 0.000 0.987 3637 T HN 0.302 nan 8.240 nan 0.000 0.535 3638 E N 2.038 122.254 120.200 0.027 0.000 2.408 3638 E HA 0.596 4.945 4.350 -0.001 0.000 0.275 3638 E C -1.490 175.130 176.600 0.033 0.000 0.935 3638 E CA -1.188 55.229 56.400 0.029 0.000 0.775 3638 E CB 1.303 31.023 29.700 0.034 0.000 1.277 3638 E HN 0.326 nan 8.360 nan 0.000 0.455 3639 L N 2.508 123.748 121.223 0.028 0.000 2.275 3639 L HA 0.484 4.824 4.340 -0.001 0.000 0.288 3639 L C -1.234 175.659 176.870 0.038 0.000 1.046 3639 L CA -0.389 54.467 54.840 0.028 0.000 0.805 3639 L CB 0.881 42.951 42.059 0.018 0.000 1.193 3639 L HN 0.610 nan 8.230 nan 0.000 0.426 3640 I N 5.221 125.819 120.570 0.047 0.000 2.359 3640 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 3640 I C -0.129 176.016 176.117 0.047 0.000 1.018 3640 I CA -0.854 60.486 61.300 0.068 0.000 1.173 3640 I CB 0.995 39.069 38.000 0.124 0.000 1.326 3640 I HN 0.477 nan 8.210 nan 0.000 0.462 3641 K N 5.299 125.722 120.400 0.039 0.000 2.081 3641 K HA 0.442 4.762 4.320 -0.001 0.000 0.230 3641 K C 0.306 176.923 176.600 0.029 0.000 1.199 3641 K CA -0.077 56.226 56.287 0.026 0.000 1.130 3641 K CB -0.029 32.482 32.500 0.018 0.000 1.386 3641 K HN 0.848 nan 8.250 nan 0.000 0.280 3642 G N -1.249 107.567 108.800 0.027 0.000 2.335 3642 G HA2 0.267 4.227 3.960 -0.001 0.000 0.291 3642 G HA3 0.267 4.227 3.960 -0.001 0.000 0.291 3642 G C -1.704 173.194 174.900 -0.004 0.000 1.261 3642 G CA -0.804 44.310 45.100 0.022 0.000 0.871 3642 G HN 0.033 nan 8.290 nan 0.000 0.491 3643 V N 0.715 120.615 119.914 -0.022 0.000 2.409 3643 V HA 0.655 4.775 4.120 -0.001 0.000 0.291 3643 V C -0.717 175.301 176.094 -0.126 0.000 1.020 3643 V CA -0.603 61.651 62.300 -0.077 0.000 0.848 3643 V CB 1.241 33.001 31.823 -0.106 0.000 0.990 3643 V HN 0.818 nan 8.190 nan 0.000 0.430 3644 L N 7.911 129.018 121.223 -0.193 0.000 2.313 3644 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 3644 L C -0.350 176.358 176.870 -0.271 0.000 1.013 3644 L CA -0.150 54.465 54.840 -0.375 0.000 0.816 3644 L CB 1.750 43.488 42.059 -0.535 0.000 1.236 3644 L HN 0.562 nan 8.230 nan 0.000 0.419 3645 V N 1.532 121.296 119.914 -0.250 0.000 2.864 3645 V HA 0.610 4.730 4.120 -0.001 0.000 0.314 3645 V C -0.358 175.662 176.094 -0.123 0.000 1.073 3645 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 3645 V CB 1.857 33.631 31.823 -0.082 0.000 1.023 3645 V HN 0.828 nan 8.190 nan 0.000 0.435 3646 D N 1.056 121.410 120.400 -0.076 0.000 3.085 3646 D HA 0.286 4.926 4.640 -0.001 0.000 0.243 3646 D C -0.152 176.142 176.300 -0.010 0.000 1.232 3646 D CA -0.275 53.696 54.000 -0.048 0.000 0.913 3646 D CB 0.308 41.084 40.800 -0.040 0.000 1.108 3646 D HN 0.527 nan 8.370 nan 0.000 0.468 3647 K N 0.474 120.879 120.400 0.009 0.000 2.340 3647 K HA 0.418 4.738 4.320 -0.001 0.000 0.244 3647 K C 0.162 176.786 176.600 0.041 0.000 0.973 3647 K CA -0.810 55.500 56.287 0.038 0.000 0.828 3647 K CB 2.270 34.822 32.500 0.087 0.000 1.226 3647 K HN 0.265 nan 8.250 nan 0.000 0.437 3648 E N 0.545 120.762 120.200 0.029 0.000 2.334 3648 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 3648 E C -0.657 175.943 176.600 0.000 0.000 0.958 3648 E CA -1.152 55.261 56.400 0.023 0.000 0.821 3648 E CB 0.898 30.608 29.700 0.017 0.000 1.269 3648 E HN 0.091 nan 8.360 nan 0.000 0.413 3649 R N 1.203 121.699 120.500 -0.006 0.000 2.242 3649 R HA 0.084 4.423 4.340 -0.001 0.000 0.334 3649 R C 0.853 177.134 176.300 -0.032 0.000 1.071 3649 R CA -0.154 55.928 56.100 -0.030 0.000 0.922 3649 R CB 0.877 31.163 30.300 -0.022 0.000 1.023 3649 R HN 0.581 nan 8.270 nan 0.000 0.458 3650 V N 1.978 121.863 119.914 -0.048 0.000 2.546 3650 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 3650 V C 0.737 176.801 176.094 -0.050 0.000 1.076 3650 V CA 2.011 64.281 62.300 -0.050 0.000 1.087 3650 V CB 0.032 31.816 31.823 -0.065 0.000 0.674 3650 V HN 0.714 nan 8.190 nan 0.000 0.470 3651 S N -2.207 113.467 115.700 -0.044 0.000 2.536 3651 S HA 0.671 5.141 4.470 -0.001 0.000 0.287 3651 S C 0.750 175.342 174.600 -0.012 0.000 1.101 3651 S CA -0.184 57.997 58.200 -0.032 0.000 0.950 3651 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 3651 S HN 0.516 nan 8.310 nan 0.000 0.481 3652 A N 2.990 125.809 122.820 -0.002 0.000 2.125 3652 A HA -0.070 4.250 4.320 -0.001 0.000 0.219 3652 A C 1.869 179.460 177.584 0.011 0.000 1.156 3652 A CA 1.627 53.667 52.037 0.006 0.000 0.671 3652 A CB -0.586 18.419 19.000 0.009 0.000 0.794 3652 A HN 0.894 nan 8.150 nan 0.000 0.459 3653 Q N -1.089 118.722 119.800 0.018 0.000 2.389 3653 Q HA 0.118 4.457 4.340 -0.001 0.000 0.204 3653 Q C 0.489 176.500 176.000 0.018 0.000 0.944 3653 Q CA 0.047 55.865 55.803 0.026 0.000 0.908 3653 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 3653 Q HN 0.684 nan 8.270 nan 0.000 0.493 3654 M N 1.897 121.501 119.600 0.007 0.000 2.255 3654 M HA 0.275 4.755 4.480 -0.001 0.000 0.336 3654 M C -2.080 174.219 176.300 -0.002 0.000 1.135 3654 M CA -2.022 53.277 55.300 -0.001 0.000 1.145 3654 M CB 0.684 33.274 32.600 -0.017 0.000 1.473 3654 M HN -0.084 nan 8.290 nan 0.000 0.462 3655 P HA 0.015 nan 4.420 nan 0.000 0.266 3655 P C -0.471 176.828 177.300 -0.003 0.000 1.193 3655 P CA 0.282 63.381 63.100 -0.001 0.000 0.770 3655 P CB 0.454 32.153 31.700 -0.002 0.000 0.836 3656 K N 1.446 121.848 120.400 0.003 0.000 2.393 3656 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 3656 K C 0.591 177.201 176.600 0.016 0.000 1.026 3656 K CA 0.544 56.836 56.287 0.009 0.000 1.064 3656 K CB 0.094 32.600 32.500 0.010 0.000 0.833 3656 K HN 0.507 nan 8.250 nan 0.000 0.521 3657 K N -0.873 119.535 120.400 0.012 0.000 2.568 3657 K HA 0.395 4.715 4.320 -0.001 0.000 0.273 3657 K C -1.328 175.280 176.600 0.014 0.000 0.951 3657 K CA -0.921 55.378 56.287 0.019 0.000 0.854 3657 K CB 2.126 34.636 32.500 0.017 0.000 1.424 3657 K HN -0.279 nan 8.250 nan 0.000 0.427 3658 V N 1.447 121.373 119.914 0.021 0.000 2.525 3658 V HA 0.400 4.520 4.120 -0.001 0.000 0.299 3658 V C -0.404 175.705 176.094 0.025 0.000 1.034 3658 V CA -0.598 61.712 62.300 0.017 0.000 0.863 3658 V CB 1.808 33.639 31.823 0.013 0.000 0.999 3658 V HN 1.005 nan 8.190 nan 0.000 0.423 3659 T N -0.053 114.512 114.554 0.018 0.000 2.902 3659 T HA 0.539 4.889 4.350 -0.001 0.000 0.283 3659 T C 0.167 174.878 174.700 0.018 0.000 1.009 3659 T CA -0.221 61.890 62.100 0.018 0.000 1.051 3659 T CB 1.275 70.150 68.868 0.011 0.000 0.999 3659 T HN 0.799 nan 8.240 nan 0.000 0.474 3660 D N 0.397 120.808 120.400 0.019 0.000 2.689 3660 D HA -0.160 4.479 4.640 -0.001 0.000 0.237 3660 D C 0.323 176.638 176.300 0.025 0.000 1.148 3660 D CA 0.836 54.848 54.000 0.019 0.000 0.656 3660 D CB -1.258 39.551 40.800 0.014 0.000 1.050 3660 D HN 1.107 nan 8.370 nan 0.000 0.426 3661 A N 1.395 124.235 122.820 0.034 0.000 2.477 3661 A HA 0.353 4.672 4.320 -0.001 0.000 0.246 3661 A C 0.505 178.117 177.584 0.047 0.000 1.078 3661 A CA 0.189 52.252 52.037 0.043 0.000 0.770 3661 A CB 0.547 19.584 19.000 0.062 0.000 1.011 3661 A HN 0.156 nan 8.150 nan 0.000 0.494 3662 K N 3.020 123.446 120.400 0.044 0.000 2.347 3662 K HA 0.386 4.705 4.320 -0.001 0.000 0.262 3662 K C -1.194 175.443 176.600 0.061 0.000 1.052 3662 K CA -0.244 56.071 56.287 0.046 0.000 0.946 3662 K CB 0.931 33.451 32.500 0.032 0.000 1.220 3662 K HN 0.525 nan 8.250 nan 0.000 0.450 3663 I N 2.142 122.765 120.570 0.088 0.000 2.371 3663 I HA 0.202 4.371 4.170 -0.001 0.000 0.290 3663 I C 0.374 176.563 176.117 0.120 0.000 1.028 3663 I CA -0.171 61.215 61.300 0.142 0.000 1.345 3663 I CB 1.360 39.480 38.000 0.199 0.000 1.407 3663 I HN 0.507 nan 8.210 nan 0.000 0.501 3664 A N 7.592 130.487 122.820 0.125 0.000 2.330 3664 A HA 0.846 5.166 4.320 -0.001 0.000 0.327 3664 A C -0.766 176.905 177.584 0.145 0.000 1.155 3664 A CA -0.562 51.535 52.037 0.099 0.000 0.803 3664 A CB 0.639 19.674 19.000 0.058 0.000 1.208 3664 A HN 0.658 nan 8.150 nan 0.000 0.477 3665 L N 3.455 124.742 121.223 0.108 0.000 2.318 3665 L HA 0.463 4.803 4.340 -0.001 0.000 0.277 3665 L C -1.046 175.866 176.870 0.069 0.000 1.008 3665 L CA -0.101 54.802 54.840 0.105 0.000 0.846 3665 L CB 1.038 43.137 42.059 0.067 0.000 1.220 3665 L HN 0.571 nan 8.230 nan 0.000 0.423 3666 L N 3.117 124.383 121.223 0.071 0.000 2.341 3666 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 3666 L C 0.531 177.427 176.870 0.044 0.000 1.005 3666 L CA -0.567 54.301 54.840 0.047 0.000 0.818 3666 L CB 1.963 44.046 42.059 0.039 0.000 1.259 3666 L HN 0.584 nan 8.230 nan 0.000 0.418 3667 N N 0.190 118.908 118.700 0.031 0.000 2.353 3667 N HA -0.019 4.720 4.740 -0.001 0.000 0.185 3667 N C 0.239 175.761 175.510 0.020 0.000 1.098 3667 N CA -0.209 52.856 53.050 0.025 0.000 0.872 3667 N CB 0.172 38.670 38.487 0.018 0.000 0.970 3667 N HN 0.412 nan 8.380 nan 0.000 0.467 3668 C N 1.507 120.819 119.300 0.019 0.000 2.435 3668 C HA 0.767 5.226 4.460 -0.001 0.000 0.375 3668 C C 0.949 175.948 174.990 0.015 0.000 1.281 3668 C CA -0.987 58.041 59.018 0.015 0.000 1.963 3668 C CB -1.249 26.500 27.740 0.015 0.000 2.490 3668 C HN 0.577 nan 8.230 nan 0.000 0.557 3669 A N 6.576 129.402 122.820 0.010 0.000 2.520 3669 A HA 0.362 4.682 4.320 -0.001 0.000 0.235 3669 A C 0.421 178.008 177.584 0.005 0.000 1.065 3669 A CA 0.005 52.045 52.037 0.006 0.000 0.764 3669 A CB 0.072 19.074 19.000 0.003 0.000 1.002 3669 A HN 0.815 nan 8.150 nan 0.000 0.502 3670 I N 2.440 123.010 120.570 0.001 0.000 2.191 3670 I HA 0.187 4.356 4.170 -0.001 0.000 0.289 3670 I C 0.116 176.229 176.117 -0.005 0.000 1.141 3670 I CA 0.727 62.027 61.300 0.001 0.000 1.430 3670 I CB -1.538 36.459 38.000 -0.004 0.000 1.497 3670 I HN 0.609 nan 8.210 nan 0.000 0.636 3671 E N 2.940 123.140 120.200 -0.000 0.000 2.283 3671 E HA 0.453 4.802 4.350 -0.001 0.000 0.258 3671 E C -0.794 175.809 176.600 0.006 0.000 0.893 3671 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 3671 E CB 2.336 32.032 29.700 -0.006 0.000 1.242 3671 E HN 0.199 nan 8.360 nan 0.000 0.414 3672 E N 1.893 122.099 120.200 0.009 0.000 2.278 3672 E HA 0.180 4.530 4.350 -0.001 0.000 0.272 3672 E C -1.155 175.456 176.600 0.018 0.000 0.890 3672 E CA -0.553 55.857 56.400 0.017 0.000 0.770 3672 E CB 1.894 31.611 29.700 0.028 0.000 1.212 3672 E HN 0.276 nan 8.360 nan 0.000 0.415 3673 T N 2.892 117.455 114.554 0.016 0.000 2.940 3673 T HA 0.483 4.832 4.350 -0.001 0.000 0.309 3673 T C -0.241 174.475 174.700 0.026 0.000 1.056 3673 T CA 0.893 63.003 62.100 0.017 0.000 1.137 3673 T CB -0.254 68.622 68.868 0.013 0.000 0.976 3673 T HN 1.324 nan 8.240 nan 0.000 0.547 3674 A N 3.179 126.016 122.820 0.029 0.000 2.435 3674 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 3674 A C 1.256 178.881 177.584 0.069 0.000 0.138 3674 A CA 0.499 52.562 52.037 0.042 0.000 0.024 3674 A CB -1.853 17.168 19.000 0.036 0.000 3.974 3674 A HN 1.874 nan 8.150 nan 0.000 0.548 3675 S N 0.624 116.382 115.700 0.096 0.000 2.489 3675 S HA -0.012 4.457 4.470 -0.001 0.000 0.228 3675 S C 1.367 176.086 174.600 0.199 0.000 0.995 3675 S CA 1.428 59.743 58.200 0.192 0.000 0.934 3675 S CB 0.077 63.414 63.200 0.229 0.000 0.771 3675 S HN 1.162 nan 8.310 nan 0.000 0.522 3676 E N 1.884 122.145 120.200 0.102 0.000 2.046 3676 E HA 0.045 4.395 4.350 -0.001 0.000 0.190 3676 E C 1.994 178.622 176.600 0.046 0.000 0.982 3676 E CA 1.407 57.839 56.400 0.053 0.000 0.800 3676 E CB -0.417 29.302 29.700 0.032 0.000 0.756 3676 E HN 0.594 nan 8.360 nan 0.000 0.449 3677 M N -0.524 119.108 119.600 0.053 0.000 2.200 3677 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 3677 M C 2.038 178.374 176.300 0.060 0.000 1.066 3677 M CA 0.647 55.973 55.300 0.043 0.000 1.127 3677 M CB -0.109 32.512 32.600 0.035 0.000 1.379 3677 M HN 0.194 nan 8.290 nan 0.000 0.420 3678 L N 0.960 122.239 121.223 0.093 0.000 2.093 3678 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 3678 L C 2.410 179.391 176.870 0.186 0.000 1.085 3678 L CA 1.825 56.739 54.840 0.123 0.000 0.755 3678 L CB -0.697 41.436 42.059 0.125 0.000 0.904 3678 L HN 0.147 nan 8.230 nan 0.000 0.435 3679 K N -0.373 120.151 120.400 0.207 0.000 2.057 3679 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 3679 K C 1.567 178.165 176.600 -0.004 0.000 1.049 3679 K CA 1.824 58.140 56.287 0.049 0.000 0.931 3679 K CB -0.297 32.079 32.500 -0.207 0.000 0.714 3679 K HN 0.374 nan 8.250 nan 0.000 0.440 3680 D N 0.616 121.021 120.400 0.009 0.000 2.178 3680 D HA -0.110 4.529 4.640 -0.001 0.000 0.202 3680 D C 2.014 178.323 176.300 0.015 0.000 0.974 3680 D CA 1.025 55.025 54.000 0.001 0.000 0.841 3680 D CB -0.083 40.720 40.800 0.005 0.000 0.953 3680 D HN 0.290 nan 8.370 nan 0.000 0.478 3681 M N -0.131 119.490 119.600 0.034 0.000 2.117 3681 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 3681 M C 2.251 178.574 176.300 0.037 0.000 1.065 3681 M CA 0.867 56.188 55.300 0.036 0.000 1.114 3681 M CB -0.044 32.583 32.600 0.044 0.000 1.361 3681 M HN -0.115 nan 8.290 nan 0.000 0.408 3682 V N 0.202 120.149 119.914 0.056 0.000 2.358 3682 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 3682 V C 2.579 178.688 176.094 0.026 0.000 1.047 3682 V CA 1.904 64.239 62.300 0.058 0.000 1.035 3682 V CB -1.127 30.766 31.823 0.117 0.000 0.658 3682 V HN 0.511 nan 8.190 nan 0.000 0.452 3683 A N -0.084 122.739 122.820 0.006 0.000 1.969 3683 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 3683 A C 2.175 179.759 177.584 -0.001 0.000 1.169 3683 A CA 1.925 53.956 52.037 -0.010 0.000 0.635 3683 A CB -0.410 18.574 19.000 -0.027 0.000 0.810 3683 A HN 0.551 nan 8.150 nan 0.000 0.445 3684 E N 0.285 120.488 120.200 0.006 0.000 2.107 3684 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 3684 E C 1.654 178.260 176.600 0.011 0.000 0.982 3684 E CA 1.153 57.558 56.400 0.008 0.000 0.809 3684 E CB -0.358 29.349 29.700 0.011 0.000 0.756 3684 E HN 0.644 nan 8.360 nan 0.000 0.459 3685 I N 0.247 120.825 120.570 0.014 0.000 2.252 3685 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 3685 I C 2.271 178.395 176.117 0.011 0.000 1.102 3685 I CA 1.140 62.449 61.300 0.014 0.000 1.385 3685 I CB -0.240 37.770 38.000 0.016 0.000 1.064 3685 I HN 0.061 nan 8.210 nan 0.000 0.414 3686 K N 1.794 122.199 120.400 0.009 0.000 2.097 3686 K HA -0.134 4.186 4.320 -0.001 0.000 0.206 3686 K C 2.035 178.638 176.600 0.005 0.000 1.049 3686 K CA 1.728 58.019 56.287 0.006 0.000 0.933 3686 K CB -0.391 32.110 32.500 0.002 0.000 0.717 3686 K HN 0.270 nan 8.250 nan 0.000 0.442 3687 A N 0.279 123.102 122.820 0.004 0.000 1.972 3687 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 3687 A C 2.140 179.728 177.584 0.007 0.000 1.169 3687 A CA 2.138 54.178 52.037 0.004 0.000 0.635 3687 A CB -1.015 17.987 19.000 0.003 0.000 0.810 3687 A HN 0.567 nan 8.150 nan 0.000 0.446 3688 S N -1.670 114.036 115.700 0.009 0.000 2.442 3688 S HA 0.239 4.708 4.470 -0.001 0.000 0.236 3688 S C 1.646 176.254 174.600 0.013 0.000 1.007 3688 S CA 1.453 59.660 58.200 0.012 0.000 0.965 3688 S CB -0.559 62.651 63.200 0.016 0.000 0.773 3688 S HN 1.988 nan 8.310 nan 0.000 0.504 3689 G N 0.655 109.462 108.800 0.011 0.000 2.175 3689 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 3689 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 3689 G C 0.253 175.162 174.900 0.014 0.000 0.982 3689 G CA 0.027 45.134 45.100 0.012 0.000 0.641 3689 G HN 1.368 nan 8.290 nan 0.000 0.527 3690 A N -0.000 122.829 122.820 0.015 0.000 2.498 3690 A HA 0.595 4.915 4.320 -0.001 0.000 0.239 3690 A C 1.171 178.760 177.584 0.008 0.000 1.068 3690 A CA 0.958 53.006 52.037 0.017 0.000 0.766 3690 A CB 0.196 19.208 19.000 0.020 0.000 1.003 3690 A HN 0.363 nan 8.150 nan 0.000 0.497 3691 N N 0.335 119.039 118.700 0.007 0.000 2.382 3691 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 3691 N C -0.642 174.851 175.510 -0.027 0.000 1.122 3691 N CA 0.492 53.539 53.050 -0.004 0.000 0.870 3691 N CB 0.883 39.373 38.487 0.004 0.000 1.176 3691 N HN 0.381 nan 8.380 nan 0.000 0.474 3692 V N 2.357 122.253 119.914 -0.030 0.000 2.495 3692 V HA 0.441 4.560 4.120 -0.001 0.000 0.298 3692 V C -0.875 175.148 176.094 -0.119 0.000 1.031 3692 V CA -0.825 61.414 62.300 -0.103 0.000 0.871 3692 V CB 2.366 34.162 31.823 -0.045 0.000 0.988 3692 V HN 0.002 nan 8.190 nan 0.000 0.432 3693 L N 5.627 126.703 121.223 -0.245 0.000 2.372 3693 L HA 0.670 5.009 4.340 -0.001 0.000 0.274 3693 L C -1.325 175.348 176.870 -0.329 0.000 0.988 3693 L CA 0.013 54.752 54.840 -0.170 0.000 0.833 3693 L CB 1.285 43.291 42.059 -0.089 0.000 1.236 3693 L HN 0.472 nan 8.230 nan 0.000 0.410 3694 F N 4.946 124.897 119.950 0.002 0.000 2.361 3694 F HA 0.419 4.945 4.527 -0.001 0.000 0.364 3694 F C 0.257 176.055 175.800 -0.003 0.000 1.117 3694 F CA -0.314 57.685 58.000 -0.003 0.000 1.071 3694 F CB 1.239 40.237 39.000 -0.004 0.000 1.188 3694 F HN 0.489 nan 8.300 nan 0.000 0.464 3695 C N 5.170 124.545 119.300 0.125 0.000 2.295 3695 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 3695 C C 1.680 176.716 174.990 0.077 0.000 1.280 3695 C CA -0.463 58.601 59.018 0.076 0.000 1.746 3695 C CB 0.636 28.393 27.740 0.029 0.000 2.328 3695 C HN 0.937 nan 8.230 nan 0.000 0.521 3696 Q N 3.340 123.177 119.800 0.061 0.000 2.084 3696 Q HA -0.055 4.284 4.340 -0.001 0.000 0.202 3696 Q C 0.852 176.870 176.000 0.029 0.000 0.978 3696 Q CA 1.632 57.460 55.803 0.043 0.000 0.844 3696 Q CB 0.171 28.927 28.738 0.029 0.000 0.898 3696 Q HN 0.760 nan 8.270 nan 0.000 0.426 3697 K N -1.145 119.269 120.400 0.023 0.000 2.646 3697 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 3697 K C 0.393 176.998 176.600 0.009 0.000 1.026 3697 K CA -0.190 56.104 56.287 0.013 0.000 1.043 3697 K CB 0.061 32.567 32.500 0.009 0.000 1.383 3697 K HN 0.105 nan 8.250 nan 0.000 0.513 3698 G N 0.279 109.080 108.800 0.000 0.000 2.634 3698 G HA2 0.397 4.357 3.960 -0.001 0.000 0.255 3698 G HA3 0.397 4.357 3.960 -0.001 0.000 0.255 3698 G C -0.498 174.393 174.900 -0.015 0.000 1.205 3698 G CA -0.524 44.571 45.100 -0.009 0.000 0.884 3698 G HN 0.371 nan 8.290 nan 0.000 0.549 3699 I N 0.455 121.008 120.570 -0.028 0.000 2.447 3699 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 3699 I C -0.514 175.568 176.117 -0.059 0.000 1.023 3699 I CA -0.748 60.528 61.300 -0.041 0.000 1.083 3699 I CB 2.038 40.008 38.000 -0.049 0.000 1.245 3699 I HN 0.414 nan 8.210 nan 0.000 0.434 3700 D N 5.366 125.730 120.400 -0.059 0.000 2.414 3700 D HA -0.042 4.597 4.640 -0.001 0.000 0.242 3700 D C 0.668 176.892 176.300 -0.127 0.000 1.129 3700 D CA 0.162 54.118 54.000 -0.074 0.000 0.885 3700 D CB 1.314 42.079 40.800 -0.058 0.000 1.198 3700 D HN 0.500 nan 8.370 nan 0.000 0.437 3701 D N 3.189 123.503 120.400 -0.144 0.000 2.190 3701 D HA -0.183 4.457 4.640 -0.001 0.000 0.200 3701 D C 1.845 177.927 176.300 -0.362 0.000 0.992 3701 D CA 0.555 54.404 54.000 -0.251 0.000 0.854 3701 D CB 0.154 40.848 40.800 -0.177 0.000 0.936 3701 D HN 0.475 nan 8.370 nan 0.000 0.462 3702 L N 0.529 121.631 121.223 -0.201 0.000 2.056 3702 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 3702 L C 2.328 178.981 176.870 -0.362 0.000 1.078 3702 L CA 1.248 55.959 54.840 -0.215 0.000 0.749 3702 L CB -0.144 41.818 42.059 -0.162 0.000 0.901 3702 L HN -0.046 nan 8.230 nan 0.000 0.433 3703 A N -0.847 121.840 122.820 -0.221 0.000 1.969 3703 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 3703 A C 2.063 179.579 177.584 -0.114 0.000 1.169 3703 A CA 1.449 53.411 52.037 -0.125 0.000 0.635 3703 A CB -0.408 18.562 19.000 -0.050 0.000 0.810 3703 A HN 0.595 nan 8.150 nan 0.000 0.445 3704 Q N -1.117 118.564 119.800 -0.199 0.000 2.170 3704 Q HA -0.170 4.169 4.340 -0.001 0.000 0.203 3704 Q C 1.933 177.841 176.000 -0.154 0.000 0.976 3704 Q CA 1.359 57.046 55.803 -0.192 0.000 0.858 3704 Q CB -0.253 28.317 28.738 -0.280 0.000 0.907 3704 Q HN 0.748 nan 8.270 nan 0.000 0.433 3705 H N -0.796 118.208 119.070 -0.110 0.000 2.321 3705 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 3705 H C 1.745 177.113 175.328 0.067 0.000 1.087 3705 H CA 1.261 57.263 56.048 -0.077 0.000 1.319 3705 H CB -0.218 29.431 29.762 -0.189 0.000 1.379 3705 H HN 0.305 nan 8.280 nan 0.000 0.501 3706 Y N 0.657 121.025 120.300 0.113 0.000 2.314 3706 Y HA -0.057 4.492 4.550 -0.001 0.000 0.293 3706 Y C 2.810 178.727 175.900 0.028 0.000 1.129 3706 Y CA 0.110 58.245 58.100 0.057 0.000 1.201 3706 Y CB -0.903 37.582 38.460 0.041 0.000 0.999 3706 Y HN 0.056 nan 8.280 nan 0.000 0.541 3707 L N -0.761 120.563 121.223 0.167 0.000 2.046 3707 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 3707 L C 2.631 179.535 176.870 0.056 0.000 1.077 3707 L CA 1.255 56.140 54.840 0.076 0.000 0.747 3707 L CB -0.779 41.293 42.059 0.021 0.000 0.896 3707 L HN 0.158 nan 8.230 nan 0.000 0.432 3708 A N -0.051 122.808 122.820 0.065 0.000 1.930 3708 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 3708 A C 2.299 179.923 177.584 0.066 0.000 1.175 3708 A CA 1.508 53.579 52.037 0.056 0.000 0.627 3708 A CB -0.308 18.732 19.000 0.067 0.000 0.815 3708 A HN 0.313 nan 8.150 nan 0.000 0.443 3709 K N -0.382 120.078 120.400 0.100 0.000 2.211 3709 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 3709 K C 1.191 177.817 176.600 0.044 0.000 1.050 3709 K CA 1.163 57.498 56.287 0.079 0.000 0.945 3709 K CB 0.006 32.572 32.500 0.110 0.000 0.732 3709 K HN 0.359 nan 8.250 nan 0.000 0.451 3710 E N -0.470 119.757 120.200 0.045 0.000 2.489 3710 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 3710 E C 0.876 177.486 176.600 0.016 0.000 1.057 3710 E CA 0.421 56.834 56.400 0.022 0.000 0.866 3710 E CB 0.642 30.355 29.700 0.022 0.000 0.916 3710 E HN 0.451 nan 8.360 nan 0.000 0.500 3711 G N 1.921 110.732 108.800 0.019 0.000 2.147 3711 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 3711 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 3711 G C 0.234 175.135 174.900 0.000 0.000 1.005 3711 G CA 0.173 45.279 45.100 0.010 0.000 0.713 3711 G HN 0.269 nan 8.290 nan 0.000 0.515 3712 I N 1.044 121.614 120.570 -0.000 0.000 2.342 3712 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 3712 I C 1.019 177.114 176.117 -0.036 0.000 1.010 3712 I CA -1.087 60.202 61.300 -0.017 0.000 1.308 3712 I CB 1.549 39.542 38.000 -0.012 0.000 1.400 3712 I HN 0.148 nan 8.210 nan 0.000 0.488 3713 V N 3.808 123.686 119.914 -0.061 0.000 2.509 3713 V HA 0.911 5.031 4.120 -0.001 0.000 0.284 3713 V C 0.063 176.062 176.094 -0.158 0.000 1.047 3713 V CA -0.282 61.963 62.300 -0.092 0.000 0.952 3713 V CB 1.172 32.942 31.823 -0.089 0.000 0.988 3713 V HN 0.820 nan 8.190 nan 0.000 0.469 3714 A N 3.622 126.344 122.820 -0.162 0.000 2.515 3714 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 3714 A C -0.329 177.137 177.584 -0.197 0.000 1.059 3714 A CA -0.315 51.601 52.037 -0.202 0.000 0.698 3714 A CB 1.877 20.805 19.000 -0.121 0.000 1.289 3714 A HN 2.330 nan 8.150 nan 0.000 0.404 3715 A N 1.911 124.589 122.820 -0.237 0.000 2.359 3715 A HA 0.739 5.058 4.320 -0.001 0.000 0.303 3715 A C -0.008 177.562 177.584 -0.023 0.000 1.066 3715 A CA -0.649 51.323 52.037 -0.109 0.000 0.730 3715 A CB 0.779 19.734 19.000 -0.076 0.000 1.211 3715 A HN 1.205 nan 8.150 nan 0.000 0.439 3716 R N 1.840 122.336 120.500 -0.007 0.000 2.700 3716 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 3716 R C -0.363 175.954 176.300 0.027 0.000 1.091 3716 R CA -0.782 55.323 56.100 0.009 0.000 1.104 3716 R CB 0.406 30.699 30.300 -0.012 0.000 1.202 3716 R HN 0.493 nan 8.270 nan 0.000 0.532 3717 R N -0.926 119.588 120.500 0.023 0.000 3.516 3717 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 3717 R C -0.682 175.638 176.300 0.032 0.000 1.098 3717 R CA 0.569 56.681 56.100 0.021 0.000 0.732 3717 R CB -2.619 27.687 30.300 0.010 0.000 1.152 3717 R HN 0.528 nan 8.270 nan 0.000 0.455 3718 V N 1.411 121.357 119.914 0.053 0.000 2.572 3718 V HA 0.036 4.156 4.120 -0.001 0.000 0.291 3718 V C 1.467 177.576 176.094 0.024 0.000 1.039 3718 V CA -0.022 62.315 62.300 0.061 0.000 1.055 3718 V CB 1.183 33.074 31.823 0.114 0.000 0.969 3718 V HN 0.153 nan 8.190 nan 0.000 0.482 3719 K N 3.309 123.712 120.400 0.005 0.000 2.382 3719 K HA 0.031 4.350 4.320 -0.001 0.000 0.275 3719 K C 1.209 177.800 176.600 -0.015 0.000 1.009 3719 K CA -0.320 55.962 56.287 -0.008 0.000 0.970 3719 K CB 0.549 33.039 32.500 -0.017 0.000 0.934 3719 K HN 0.608 nan 8.250 nan 0.000 0.479 3720 K N 1.975 122.368 120.400 -0.012 0.000 2.074 3720 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 3720 K C 1.914 178.499 176.600 -0.026 0.000 1.048 3720 K CA 2.230 58.508 56.287 -0.014 0.000 0.926 3720 K CB -0.554 31.940 32.500 -0.010 0.000 0.713 3720 K HN 0.583 nan 8.250 nan 0.000 0.444 3721 S N 0.181 115.863 115.700 -0.029 0.000 2.359 3721 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 3721 S C 1.401 175.966 174.600 -0.058 0.000 1.035 3721 S CA 1.784 59.962 58.200 -0.038 0.000 1.018 3721 S CB -0.555 62.625 63.200 -0.034 0.000 0.876 3721 S HN 0.424 nan 8.310 nan 0.000 0.448 3722 D N 0.914 121.274 120.400 -0.067 0.000 2.144 3722 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 3722 D C 2.000 178.213 176.300 -0.146 0.000 0.984 3722 D CA 0.979 54.913 54.000 -0.111 0.000 0.834 3722 D CB -0.273 40.466 40.800 -0.101 0.000 0.955 3722 D HN 0.382 nan 8.370 nan 0.000 0.465 3723 M N 0.478 120.021 119.600 -0.096 0.000 2.159 3723 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 3723 M C 1.888 178.140 176.300 -0.080 0.000 1.063 3723 M CA 1.199 56.448 55.300 -0.085 0.000 1.110 3723 M CB -0.752 31.830 32.600 -0.031 0.000 1.374 3723 M HN 0.118 nan 8.290 nan 0.000 0.411 3724 E N 0.016 120.177 120.200 -0.065 0.000 2.076 3724 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 3724 E C 2.064 178.625 176.600 -0.064 0.000 0.979 3724 E CA 0.794 57.163 56.400 -0.052 0.000 0.807 3724 E CB 0.015 29.692 29.700 -0.038 0.000 0.761 3724 E HN 0.494 nan 8.360 nan 0.000 0.454 3725 K N 0.680 121.031 120.400 -0.082 0.000 2.097 3725 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 3725 K C 2.197 178.733 176.600 -0.107 0.000 1.049 3725 K CA 0.834 57.069 56.287 -0.086 0.000 0.933 3725 K CB -0.084 32.359 32.500 -0.095 0.000 0.717 3725 K HN 0.106 nan 8.250 nan 0.000 0.442 3726 L N 0.477 121.602 121.223 -0.162 0.000 2.093 3726 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 3726 L C 2.580 179.385 176.870 -0.108 0.000 1.085 3726 L CA 1.033 55.753 54.840 -0.200 0.000 0.755 3726 L CB -0.538 41.295 42.059 -0.377 0.000 0.904 3726 L HN 0.194 nan 8.230 nan 0.000 0.435 3727 A N 0.087 122.860 122.820 -0.078 0.000 1.930 3727 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 3727 A C 2.321 179.890 177.584 -0.025 0.000 1.175 3727 A CA 1.527 53.541 52.037 -0.037 0.000 0.627 3727 A CB -0.280 18.703 19.000 -0.028 0.000 0.815 3727 A HN 0.306 nan 8.150 nan 0.000 0.443 3728 K N -0.315 120.066 120.400 -0.032 0.000 2.026 3728 K HA -0.040 4.279 4.320 -0.001 0.000 0.208 3728 K C 2.333 178.928 176.600 -0.008 0.000 1.048 3728 K CA 1.197 57.473 56.287 -0.019 0.000 0.929 3728 K CB -0.283 32.203 32.500 -0.024 0.000 0.713 3728 K HN 0.437 nan 8.250 nan 0.000 0.439 3729 A N 1.023 123.830 122.820 -0.020 0.000 1.855 3729 A HA -0.124 4.196 4.320 -0.001 0.000 0.213 3729 A C 2.287 179.876 177.584 0.010 0.000 1.195 3729 A CA 2.033 54.066 52.037 -0.007 0.000 0.610 3729 A CB -0.941 18.043 19.000 -0.027 0.000 0.837 3729 A HN 0.451 nan 8.150 nan 0.000 0.444 3730 T N -4.299 110.255 114.554 0.001 0.000 3.043 3730 T HA 0.357 4.706 4.350 -0.001 0.000 0.263 3730 T C 1.485 176.203 174.700 0.030 0.000 1.094 3730 T CA 1.235 63.347 62.100 0.020 0.000 1.127 3730 T CB -0.135 68.746 68.868 0.021 0.000 0.905 3730 T HN 1.772 nan 8.240 nan 0.000 0.490 3731 G N 1.526 110.339 108.800 0.020 0.000 2.143 3731 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.248 3731 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.248 3731 G C 0.282 175.193 174.900 0.020 0.000 0.991 3731 G CA 0.035 45.148 45.100 0.022 0.000 0.689 3731 G HN 1.208 nan 8.290 nan 0.000 0.522 3732 A N -0.327 122.503 122.820 0.018 0.000 2.445 3732 A HA 0.561 4.880 4.320 -0.001 0.000 0.242 3732 A C 0.458 178.052 177.584 0.017 0.000 1.075 3732 A CA 0.548 52.600 52.037 0.025 0.000 0.777 3732 A CB 0.378 19.399 19.000 0.034 0.000 1.013 3732 A HN 0.817 nan 8.150 nan 0.000 0.493 3733 N N 1.658 120.370 118.700 0.021 0.000 2.444 3733 N HA 0.358 5.098 4.740 -0.001 0.000 0.262 3733 N C -0.874 174.648 175.510 0.020 0.000 0.974 3733 N CA -0.356 52.703 53.050 0.016 0.000 0.933 3733 N CB 1.159 39.655 38.487 0.015 0.000 1.137 3733 N HN 0.287 nan 8.380 nan 0.000 0.498 3734 V N 4.913 124.836 119.914 0.014 0.000 2.485 3734 V HA 0.141 4.260 4.120 -0.001 0.000 0.287 3734 V C 0.400 176.505 176.094 0.017 0.000 1.022 3734 V CA -0.063 62.247 62.300 0.017 0.000 1.067 3734 V CB -0.125 31.703 31.823 0.009 0.000 0.967 3734 V HN 0.516 nan 8.190 nan 0.000 0.479 3735 I N 4.134 124.718 120.570 0.022 0.000 2.441 3735 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 3735 I C 0.986 177.114 176.117 0.018 0.000 0.994 3735 I CA -0.337 60.974 61.300 0.019 0.000 1.144 3735 I CB 1.314 39.327 38.000 0.021 0.000 1.314 3735 I HN 0.635 nan 8.210 nan 0.000 0.445 3736 A N 5.623 128.451 122.820 0.014 0.000 1.832 3736 A HA 0.354 4.674 4.320 -0.001 0.000 0.214 3736 A C 1.079 178.671 177.584 0.014 0.000 1.204 3736 A CA 1.095 53.140 52.037 0.013 0.000 0.606 3736 A CB -0.176 18.830 19.000 0.010 0.000 0.849 3736 A HN 0.733 nan 8.150 nan 0.000 0.445 3737 A N -1.023 121.805 122.820 0.013 0.000 2.317 3737 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 3737 A C 0.736 178.329 177.584 0.014 0.000 1.178 3737 A CA -0.593 51.451 52.037 0.013 0.000 0.817 3737 A CB 0.403 19.409 19.000 0.011 0.000 1.189 3737 A HN 0.364 nan 8.150 nan 0.000 0.489 3738 I N 1.821 122.400 120.570 0.015 0.000 2.335 3738 I HA -0.331 3.839 4.170 -0.001 0.000 0.251 3738 I C 2.755 178.880 176.117 0.014 0.000 1.129 3738 I CA 1.634 62.943 61.300 0.016 0.000 1.402 3738 I CB -0.246 37.764 38.000 0.016 0.000 1.069 3738 I HN 0.779 nan 8.210 nan 0.000 0.424 3739 A N 0.821 123.648 122.820 0.012 0.000 1.917 3739 A HA -0.233 4.086 4.320 -0.001 0.000 0.219 3739 A C 2.505 180.095 177.584 0.010 0.000 1.182 3739 A CA 2.092 54.135 52.037 0.010 0.000 0.633 3739 A CB -0.746 18.259 19.000 0.009 0.000 0.819 3739 A HN 0.459 nan 8.150 nan 0.000 0.448 3740 A N -1.297 121.529 122.820 0.011 0.000 2.067 3740 A HA 0.291 4.610 4.320 -0.001 0.000 0.217 3740 A C 1.024 178.615 177.584 0.012 0.000 1.156 3740 A CA 0.474 52.518 52.037 0.011 0.000 0.683 3740 A CB -0.452 18.554 19.000 0.010 0.000 0.808 3740 A HN 0.598 nan 8.150 nan 0.000 0.455 3741 L N 1.818 123.050 121.223 0.014 0.000 2.477 3741 L HA 0.360 4.699 4.340 -0.001 0.000 0.272 3741 L C 0.378 177.257 176.870 0.015 0.000 1.157 3741 L CA 0.504 55.354 54.840 0.016 0.000 0.889 3741 L CB 0.386 42.456 42.059 0.019 0.000 1.158 3741 L HN 0.344 nan 8.230 nan 0.000 0.473 3742 S N 3.374 119.084 115.700 0.015 0.000 2.704 3742 S HA 0.781 5.250 4.470 -0.001 0.000 0.296 3742 S C 0.835 175.445 174.600 0.016 0.000 1.138 3742 S CA -0.350 57.858 58.200 0.014 0.000 0.875 3742 S CB 1.277 64.484 63.200 0.012 0.000 1.151 3742 S HN 0.811 nan 8.310 nan 0.000 0.500 3743 A N 0.375 123.204 122.820 0.015 0.000 2.024 3743 A HA -0.082 4.237 4.320 -0.001 0.000 0.220 3743 A C 2.021 179.616 177.584 0.018 0.000 1.164 3743 A CA 1.529 53.576 52.037 0.016 0.000 0.643 3743 A CB -1.059 17.949 19.000 0.014 0.000 0.806 3743 A HN 0.857 nan 8.150 nan 0.000 0.451 3744 Q N -0.520 119.290 119.800 0.016 0.000 2.436 3744 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 3744 Q C 0.546 176.557 176.000 0.018 0.000 0.965 3744 Q CA 0.980 56.792 55.803 0.016 0.000 0.910 3744 Q CB 0.012 28.757 28.738 0.013 0.000 0.980 3744 Q HN 0.612 nan 8.270 nan 0.000 0.491 3745 D N -0.203 120.209 120.400 0.020 0.000 2.350 3745 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 3745 D C -0.146 176.171 176.300 0.028 0.000 1.031 3745 D CA 0.222 54.235 54.000 0.022 0.000 0.861 3745 D CB 0.374 41.187 40.800 0.021 0.000 0.926 3745 D HN 0.096 nan 8.370 nan 0.000 0.520 3746 L N 0.965 122.206 121.223 0.031 0.000 2.380 3746 L HA 0.325 4.665 4.340 -0.001 0.000 0.273 3746 L C 1.284 178.178 176.870 0.040 0.000 1.138 3746 L CA -0.031 54.832 54.840 0.039 0.000 0.832 3746 L CB 1.015 43.095 42.059 0.036 0.000 1.124 3746 L HN -0.174 nan 8.230 nan 0.000 0.454 3747 G N 1.179 110.008 108.800 0.048 0.000 2.488 3747 G HA2 0.535 4.495 3.960 -0.001 0.000 0.318 3747 G HA3 0.535 4.495 3.960 -0.001 0.000 0.318 3747 G C -1.112 173.819 174.900 0.052 0.000 1.188 3747 G CA -0.461 44.667 45.100 0.046 0.000 0.944 3747 G HN 0.529 nan 8.290 nan 0.000 0.495 3748 D N -0.395 120.034 120.400 0.047 0.000 2.350 3748 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 3748 D C -0.250 176.076 176.300 0.044 0.000 1.036 3748 D CA 0.066 54.093 54.000 0.045 0.000 0.848 3748 D CB 1.972 42.795 40.800 0.039 0.000 1.307 3748 D HN 0.592 nan 8.370 nan 0.000 0.469 3749 A N 0.301 123.149 122.820 0.046 0.000 2.488 3749 A HA 0.622 4.942 4.320 -0.001 0.000 0.298 3749 A C 0.960 178.566 177.584 0.037 0.000 1.044 3749 A CA -0.413 51.651 52.037 0.045 0.000 0.693 3749 A CB 1.614 20.655 19.000 0.069 0.000 1.272 3749 A HN 0.486 nan 8.150 nan 0.000 0.402 3750 G N 0.328 109.143 108.800 0.025 0.000 2.408 3750 G HA2 0.300 4.259 3.960 -0.001 0.000 0.217 3750 G HA3 0.300 4.259 3.960 -0.001 0.000 0.217 3750 G C 0.284 175.200 174.900 0.026 0.000 1.150 3750 G CA 1.653 46.763 45.100 0.018 0.000 0.776 3750 G HN 1.221 nan 8.290 nan 0.000 0.542 3751 L N 0.120 121.367 121.223 0.039 0.000 2.562 3751 L HA 0.583 4.923 4.340 -0.001 0.000 0.266 3751 L C -1.331 175.585 176.870 0.077 0.000 0.949 3751 L CA -0.733 54.135 54.840 0.047 0.000 0.879 3751 L CB 2.420 44.499 42.059 0.033 0.000 1.278 3751 L HN -0.148 nan 8.230 nan 0.000 0.404 3752 V N 4.495 124.459 119.914 0.084 0.000 2.334 3752 V HA 0.625 4.744 4.120 -0.001 0.000 0.281 3752 V C -0.364 175.793 176.094 0.103 0.000 1.016 3752 V CA -0.426 61.947 62.300 0.121 0.000 0.832 3752 V CB 1.389 33.294 31.823 0.136 0.000 0.999 3752 V HN 0.823 nan 8.190 nan 0.000 0.439 3753 E N 3.269 123.552 120.200 0.138 0.000 2.292 3753 E HA 0.389 4.738 4.350 -0.001 0.000 0.272 3753 E C -0.880 175.820 176.600 0.167 0.000 0.881 3753 E CA -0.681 55.784 56.400 0.108 0.000 0.754 3753 E CB 2.066 31.800 29.700 0.057 0.000 1.201 3753 E HN 0.742 nan 8.360 nan 0.000 0.425 3754 E N 4.420 124.689 120.200 0.114 0.000 2.129 3754 E HA 0.200 4.550 4.350 -0.001 0.000 0.283 3754 E C -0.866 175.800 176.600 0.110 0.000 1.080 3754 E CA -0.159 56.318 56.400 0.128 0.000 0.867 3754 E CB 0.602 30.345 29.700 0.072 0.000 1.056 3754 E HN 0.346 nan 8.360 nan 0.000 0.404 3755 R N 3.597 124.207 120.500 0.183 0.000 2.750 3755 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 3755 R C -0.682 175.707 176.300 0.149 0.000 0.972 3755 R CA -0.924 55.229 56.100 0.088 0.000 0.912 3755 R CB 1.968 32.186 30.300 -0.137 0.000 1.187 3755 R HN 0.329 nan 8.270 nan 0.000 0.464 3756 K N 1.971 122.414 120.400 0.071 0.000 2.159 3756 K HA 0.459 4.778 4.320 -0.001 0.000 0.266 3756 K C -0.756 175.888 176.600 0.073 0.000 0.975 3756 K CA -0.459 55.873 56.287 0.074 0.000 0.865 3756 K CB 1.737 34.260 32.500 0.038 0.000 1.087 3756 K HN 0.435 nan 8.250 nan 0.000 0.446 3757 I N 1.411 122.036 120.570 0.091 0.000 2.468 3757 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 3757 I C -0.635 175.513 176.117 0.051 0.000 1.039 3757 I CA -0.018 61.331 61.300 0.080 0.000 1.074 3757 I CB 1.324 39.404 38.000 0.132 0.000 1.228 3757 I HN 0.700 nan 8.210 nan 0.000 0.436 3758 S N 4.743 120.463 115.700 0.033 0.000 3.587 3758 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 3758 S C 1.070 175.681 174.600 0.019 0.000 1.119 3758 S CA 1.182 59.395 58.200 0.021 0.000 0.976 3758 S CB -1.612 61.599 63.200 0.018 0.000 0.922 3758 S HN 1.594 nan 8.310 nan 0.000 0.503 3759 G N 0.090 108.903 108.800 0.022 0.000 2.284 3759 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.230 3759 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.230 3759 G C -0.417 174.499 174.900 0.026 0.000 1.021 3759 G CA 0.123 45.235 45.100 0.020 0.000 0.619 3759 G HN 0.596 nan 8.290 nan 0.000 0.510 3760 D N 1.263 121.682 120.400 0.031 0.000 2.308 3760 D HA 0.471 5.110 4.640 -0.001 0.000 0.251 3760 D C 0.302 176.635 176.300 0.054 0.000 1.127 3760 D CA 0.497 54.517 54.000 0.034 0.000 0.876 3760 D CB 1.614 42.429 40.800 0.025 0.000 1.176 3760 D HN 0.197 nan 8.370 nan 0.000 0.446 3761 S N 2.910 118.639 115.700 0.048 0.000 2.481 3761 S HA 0.399 4.869 4.470 -0.001 0.000 0.276 3761 S C -0.229 174.413 174.600 0.070 0.000 1.247 3761 S CA -0.401 57.839 58.200 0.067 0.000 1.053 3761 S CB 0.035 63.264 63.200 0.047 0.000 0.925 3761 S HN 0.313 nan 8.310 nan 0.000 0.491 3762 M N 4.476 124.146 119.600 0.117 0.000 2.619 3762 M HA 0.532 5.012 4.480 -0.001 0.000 0.297 3762 M C -1.068 175.306 176.300 0.124 0.000 1.229 3762 M CA -0.638 54.700 55.300 0.062 0.000 0.860 3762 M CB 2.152 34.736 32.600 -0.026 0.000 1.741 3762 M HN 0.438 nan 8.290 nan 0.000 0.462 3763 I N 1.686 122.268 120.570 0.021 0.000 2.339 3763 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 3763 I C -1.346 174.753 176.117 -0.030 0.000 0.994 3763 I CA -0.368 61.002 61.300 0.116 0.000 1.191 3763 I CB 0.933 39.034 38.000 0.169 0.000 1.343 3763 I HN 0.437 nan 8.210 nan 0.000 0.458 3764 F N 5.971 125.958 119.950 0.061 0.000 2.385 3764 F HA 0.380 4.906 4.527 -0.001 0.000 0.360 3764 F C 0.092 175.926 175.800 0.056 0.000 1.122 3764 F CA -0.771 57.255 58.000 0.044 0.000 1.090 3764 F CB 1.362 40.378 39.000 0.027 0.000 1.150 3764 F HN 0.015 nan 8.300 nan 0.000 0.472 3765 V N 4.422 124.430 119.914 0.157 0.000 2.311 3765 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 3765 V C -0.299 175.851 176.094 0.094 0.000 1.022 3765 V CA -0.534 61.836 62.300 0.117 0.000 0.830 3765 V CB 0.570 32.428 31.823 0.057 0.000 1.012 3765 V HN 0.839 nan 8.190 nan 0.000 0.452 3766 E N 3.140 123.399 120.200 0.097 0.000 2.446 3766 E HA 0.622 4.971 4.350 -0.001 0.000 0.276 3766 E C -0.669 175.957 176.600 0.044 0.000 0.969 3766 E CA -0.877 55.566 56.400 0.072 0.000 0.800 3766 E CB 1.681 31.436 29.700 0.091 0.000 1.341 3766 E HN 0.220 nan 8.360 nan 0.000 0.460 3767 E N -1.202 119.012 120.200 0.023 0.000 3.181 3767 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 3767 E C -0.552 176.042 176.600 -0.009 0.000 0.936 3767 E CA 0.748 57.149 56.400 0.002 0.000 0.975 3767 E CB -2.398 27.306 29.700 0.006 0.000 1.496 3767 E HN 0.593 nan 8.360 nan 0.000 0.429 3768 C N 0.967 120.264 119.300 -0.005 0.000 2.689 3768 C HA 0.068 4.528 4.460 -0.001 0.000 0.409 3768 C C 2.304 177.257 174.990 -0.061 0.000 1.293 3768 C CA -0.028 58.984 59.018 -0.011 0.000 2.136 3768 C CB 0.419 28.163 27.740 0.005 0.000 2.719 3768 C HN 0.355 nan 8.230 nan 0.000 0.644 3769 K N 0.416 120.773 120.400 -0.072 0.000 2.001 3769 K HA -0.132 4.187 4.320 -0.001 0.000 0.214 3769 K C 0.063 176.374 176.600 -0.481 0.000 1.050 3769 K CA 1.783 57.937 56.287 -0.221 0.000 0.934 3769 K CB -0.136 32.325 32.500 -0.065 0.000 0.718 3769 K HN 0.732 nan 8.250 nan 0.000 0.443 3770 H N -0.406 118.668 119.070 0.007 0.000 2.488 3770 H HA 0.201 4.757 4.556 -0.001 0.000 0.237 3770 H C -2.592 172.737 175.328 0.002 0.000 1.395 3770 H CA -1.751 54.300 56.048 0.005 0.000 1.491 3770 H CB 0.700 30.465 29.762 0.003 0.000 1.567 3770 H HN 0.120 nan 8.280 nan 0.000 0.508 3771 P HA 0.064 nan 4.420 nan 0.000 0.271 3771 P C 0.147 177.471 177.300 0.040 0.000 1.220 3771 P CA -0.520 62.603 63.100 0.037 0.000 0.768 3771 P CB 1.571 33.279 31.700 0.015 0.000 0.848 3772 K N 1.051 121.468 120.400 0.027 0.000 2.399 3772 K HA 0.458 4.778 4.320 -0.001 0.000 0.204 3772 K C 0.373 176.975 176.600 0.004 0.000 1.023 3772 K CA -0.291 56.007 56.287 0.019 0.000 1.127 3772 K CB 0.492 33.001 32.500 0.015 0.000 0.856 3772 K HN 0.542 nan 8.250 nan 0.000 0.514 3773 A N 0.514 123.333 122.820 -0.002 0.000 2.486 3773 A HA 0.662 4.981 4.320 -0.001 0.000 0.300 3773 A C -0.596 176.982 177.584 -0.010 0.000 1.048 3773 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 3773 A CB 1.474 20.457 19.000 -0.027 0.000 1.278 3773 A HN -0.040 nan 8.150 nan 0.000 0.405 3774 V N -1.086 118.822 119.914 -0.010 0.000 3.074 3774 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 3774 V C -0.433 175.652 176.094 -0.014 0.000 1.117 3774 V CA -0.579 61.718 62.300 -0.006 0.000 1.014 3774 V CB 1.714 33.539 31.823 0.003 0.000 1.057 3774 V HN 0.852 nan 8.190 nan 0.000 0.438 3775 T N 4.092 118.640 114.554 -0.010 0.000 2.841 3775 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 3775 T C -0.516 174.182 174.700 -0.003 0.000 0.991 3775 T CA -0.212 61.875 62.100 -0.021 0.000 0.966 3775 T CB 1.346 70.185 68.868 -0.049 0.000 0.962 3775 T HN 0.957 nan 8.240 nan 0.000 0.438 3776 M N 4.894 124.490 119.600 -0.006 0.000 2.063 3776 M HA 0.477 4.956 4.480 -0.001 0.000 0.348 3776 M C -1.154 175.148 176.300 0.003 0.000 1.180 3776 M CA -0.708 54.594 55.300 0.004 0.000 1.059 3776 M CB 0.274 32.875 32.600 0.002 0.000 1.544 3776 M HN 0.532 nan 8.290 nan 0.000 0.447 3777 L N 7.305 128.540 121.223 0.019 0.000 2.259 3777 L HA 0.467 4.806 4.340 -0.001 0.000 0.288 3777 L C -1.041 175.843 176.870 0.025 0.000 1.051 3777 L CA -0.411 54.444 54.840 0.025 0.000 0.824 3777 L CB 0.442 42.539 42.059 0.064 0.000 1.206 3777 L HN 0.754 nan 8.230 nan 0.000 0.429 3778 I N 5.532 126.111 120.570 0.014 0.000 2.325 3778 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 3778 I C 0.227 176.353 176.117 0.014 0.000 1.019 3778 I CA -0.304 61.004 61.300 0.013 0.000 1.302 3778 I CB 0.860 38.864 38.000 0.007 0.000 1.401 3778 I HN 0.578 nan 8.210 nan 0.000 0.485 3779 R N 4.032 124.541 120.500 0.016 0.000 2.828 3779 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 3779 R C -0.239 176.069 176.300 0.012 0.000 1.022 3779 R CA -0.975 55.135 56.100 0.016 0.000 1.021 3779 R CB 2.155 32.467 30.300 0.020 0.000 1.163 3779 R HN 0.831 nan 8.270 nan 0.000 0.494 3780 G N -0.905 107.901 108.800 0.010 0.000 2.340 3780 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.298 3780 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.298 3780 G C -0.090 174.814 174.900 0.007 0.000 1.498 3780 G CA -0.479 44.627 45.100 0.010 0.000 0.847 3780 G HN 0.413 nan 8.290 nan 0.000 0.594 3781 T N -0.670 113.890 114.554 0.010 0.000 2.995 3781 T HA 0.279 4.628 4.350 -0.001 0.000 0.269 3781 T C 0.783 175.487 174.700 0.006 0.000 1.091 3781 T CA 2.171 64.276 62.100 0.009 0.000 1.128 3781 T CB -0.219 68.657 68.868 0.013 0.000 0.891 3781 T HN 0.700 nan 8.240 nan 0.000 0.492 3782 T N 1.030 115.587 114.554 0.006 0.000 2.956 3782 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 3782 T C 0.275 174.960 174.700 -0.026 0.000 1.151 3782 T CA -0.776 61.322 62.100 -0.004 0.000 1.024 3782 T CB 2.165 71.050 68.868 0.029 0.000 1.140 3782 T HN -0.108 nan 8.240 nan 0.000 0.473 3783 E N 1.014 121.157 120.200 -0.093 0.000 2.070 3783 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 3783 E C 1.666 178.192 176.600 -0.125 0.000 1.004 3783 E CA 1.673 57.982 56.400 -0.151 0.000 0.805 3783 E CB -0.071 29.470 29.700 -0.266 0.000 0.744 3783 E HN 0.560 nan 8.360 nan 0.000 0.451 3784 H N -0.240 118.833 119.070 0.005 0.000 2.491 3784 H HA -0.009 4.546 4.556 -0.001 0.000 0.290 3784 H C 2.264 177.595 175.328 0.005 0.000 1.050 3784 H CA 0.612 56.662 56.048 0.004 0.000 1.309 3784 H CB -0.038 29.726 29.762 0.004 0.000 1.392 3784 H HN -0.009 nan 8.280 nan 0.000 0.554 3785 V N 1.894 121.873 119.914 0.109 0.000 2.323 3785 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 3785 V C 2.581 178.701 176.094 0.044 0.000 1.041 3785 V CA 1.603 63.942 62.300 0.065 0.000 1.025 3785 V CB -0.455 31.396 31.823 0.046 0.000 0.656 3785 V HN 0.413 nan 8.190 nan 0.000 0.451 3786 I N -1.904 118.683 120.570 0.028 0.000 3.111 3786 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 3786 I C 2.061 178.189 176.117 0.019 0.000 1.268 3786 I CA 1.217 62.527 61.300 0.017 0.000 1.467 3786 I CB -0.556 37.447 38.000 0.004 0.000 1.087 3786 I HN 0.280 nan 8.210 nan 0.000 0.467 3787 E N 1.533 121.752 120.200 0.032 0.000 2.106 3787 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 3787 E C 1.960 178.584 176.600 0.039 0.000 0.984 3787 E CA 1.115 57.540 56.400 0.042 0.000 0.806 3787 E CB 0.040 29.790 29.700 0.082 0.000 0.750 3787 E HN 0.538 nan 8.360 nan 0.000 0.458 3788 E N 0.329 120.555 120.200 0.043 0.000 2.107 3788 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 3788 E C 2.316 178.930 176.600 0.025 0.000 0.982 3788 E CA 0.553 56.973 56.400 0.032 0.000 0.809 3788 E CB -0.042 29.678 29.700 0.034 0.000 0.756 3788 E HN 0.126 nan 8.360 nan 0.000 0.459 3789 V N 1.838 121.766 119.914 0.024 0.000 2.358 3789 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 3789 V C 2.498 178.600 176.094 0.014 0.000 1.047 3789 V CA 1.721 64.032 62.300 0.018 0.000 1.035 3789 V CB -0.883 30.950 31.823 0.017 0.000 0.658 3789 V HN 0.223 nan 8.190 nan 0.000 0.452 3790 A N 0.443 123.271 122.820 0.013 0.000 1.892 3790 A HA -0.306 4.014 4.320 -0.001 0.000 0.218 3790 A C 2.318 179.907 177.584 0.009 0.000 1.188 3790 A CA 2.477 54.519 52.037 0.009 0.000 0.631 3790 A CB -0.549 18.455 19.000 0.007 0.000 0.822 3790 A HN 0.467 nan 8.150 nan 0.000 0.447 3791 R N -0.068 120.439 120.500 0.012 0.000 2.092 3791 R HA 0.069 4.408 4.340 -0.001 0.000 0.231 3791 R C 2.160 178.467 176.300 0.011 0.000 1.119 3791 R CA 1.759 57.866 56.100 0.011 0.000 0.970 3791 R CB -0.882 29.425 30.300 0.012 0.000 0.864 3791 R HN 0.390 nan 8.270 nan 0.000 0.440 3792 A N 0.143 122.971 122.820 0.013 0.000 1.908 3792 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 3792 A C 2.161 179.752 177.584 0.012 0.000 1.181 3792 A CA 1.974 54.020 52.037 0.014 0.000 0.627 3792 A CB -0.854 18.156 19.000 0.017 0.000 0.818 3792 A HN 0.314 nan 8.150 nan 0.000 0.445 3793 V N -2.277 117.643 119.914 0.010 0.000 2.951 3793 V HA -0.046 4.074 4.120 -0.001 0.000 0.255 3793 V C 1.776 177.873 176.094 0.006 0.000 1.088 3793 V CA 2.142 64.447 62.300 0.008 0.000 1.109 3793 V CB -0.666 31.161 31.823 0.007 0.000 0.724 3793 V HN 0.452 nan 8.190 nan 0.000 0.471 3794 D N 1.153 121.556 120.400 0.005 0.000 2.178 3794 D HA -0.189 4.450 4.640 -0.001 0.000 0.201 3794 D C 1.683 177.985 176.300 0.004 0.000 0.980 3794 D CA 1.775 55.777 54.000 0.004 0.000 0.842 3794 D CB -0.043 40.759 40.800 0.003 0.000 0.948 3794 D HN 0.514 nan 8.370 nan 0.000 0.472 3795 D N -0.510 119.893 120.400 0.006 0.000 2.149 3795 D HA 0.034 4.674 4.640 -0.001 0.000 0.206 3795 D C 2.042 178.346 176.300 0.007 0.000 0.967 3795 D CA 1.254 55.258 54.000 0.007 0.000 0.848 3795 D CB -0.612 40.193 40.800 0.009 0.000 0.998 3795 D HN 0.253 nan 8.370 nan 0.000 0.474 3796 A N 0.848 123.673 122.820 0.008 0.000 1.908 3796 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 3796 A C 2.368 179.955 177.584 0.006 0.000 1.181 3796 A CA 1.422 53.464 52.037 0.008 0.000 0.627 3796 A CB -0.922 18.083 19.000 0.008 0.000 0.818 3796 A HN 0.188 nan 8.150 nan 0.000 0.445 3797 V N -0.155 119.762 119.914 0.005 0.000 2.759 3797 V HA -0.072 4.047 4.120 -0.001 0.000 0.256 3797 V C 2.259 178.355 176.094 0.004 0.000 1.080 3797 V CA 2.112 64.415 62.300 0.004 0.000 1.101 3797 V CB -0.614 31.210 31.823 0.003 0.000 0.698 3797 V HN 0.569 nan 8.190 nan 0.000 0.477 3798 G N -0.240 108.563 108.800 0.004 0.000 2.395 3798 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 3798 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 3798 G C 1.616 176.519 174.900 0.005 0.000 1.177 3798 G CA 1.219 46.322 45.100 0.004 0.000 0.794 3798 G HN 0.660 nan 8.290 nan 0.000 0.532 3799 V N -1.075 118.842 119.914 0.006 0.000 2.871 3799 V HA 0.002 4.122 4.120 -0.001 0.000 0.256 3799 V C 2.574 178.672 176.094 0.006 0.000 1.082 3799 V CA 1.199 63.503 62.300 0.007 0.000 1.105 3799 V CB -0.363 31.465 31.823 0.008 0.000 0.713 3799 V HN 0.114 nan 8.190 nan 0.000 0.473 3800 V N 2.012 121.929 119.914 0.006 0.000 2.379 3800 V HA -0.005 4.114 4.120 -0.001 0.000 0.245 3800 V C 2.919 179.016 176.094 0.005 0.000 1.044 3800 V CA 2.124 64.427 62.300 0.005 0.000 1.036 3800 V CB -1.317 30.509 31.823 0.004 0.000 0.664 3800 V HN 0.605 nan 8.190 nan 0.000 0.453 3801 G N -1.366 107.436 108.800 0.005 0.000 2.418 3801 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.217 3801 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.217 3801 G C 1.887 176.790 174.900 0.005 0.000 1.158 3801 G CA 1.199 46.302 45.100 0.004 0.000 0.771 3801 G HN 0.529 nan 8.290 nan 0.000 0.545 3802 C N 0.534 119.838 119.300 0.005 0.000 2.429 3802 C HA -0.022 4.438 4.460 -0.001 0.000 0.277 3802 C C 3.150 178.144 174.990 0.007 0.000 1.262 3802 C CA 2.001 61.023 59.018 0.006 0.000 1.733 3802 C CB -1.052 26.692 27.740 0.007 0.000 2.010 3802 C HN 0.399 nan 8.230 nan 0.000 0.483 3803 T N 1.016 115.574 114.554 0.007 0.000 2.833 3803 T HA -0.088 4.262 4.350 -0.001 0.000 0.269 3803 T C 1.570 176.273 174.700 0.006 0.000 1.054 3803 T CA 1.811 63.915 62.100 0.007 0.000 1.135 3803 T CB -0.247 68.625 68.868 0.006 0.000 0.869 3803 T HN 0.591 nan 8.240 nan 0.000 0.466 3804 I N 0.632 121.206 120.570 0.005 0.000 2.286 3804 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 3804 I C 2.538 178.658 176.117 0.005 0.000 1.104 3804 I CA 1.202 62.505 61.300 0.005 0.000 1.397 3804 I CB -0.254 37.749 38.000 0.005 0.000 1.072 3804 I HN 0.261 nan 8.210 nan 0.000 0.417 3805 E N 0.164 120.367 120.200 0.005 0.000 2.152 3805 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 3805 E C -0.113 176.491 176.600 0.006 0.000 0.983 3805 E CA 0.701 57.104 56.400 0.005 0.000 0.818 3805 E CB 0.220 29.923 29.700 0.005 0.000 0.758 3805 E HN 0.375 nan 8.360 nan 0.000 0.467 3806 D N -0.535 119.869 120.400 0.007 0.000 2.505 3806 D HA 0.140 4.779 4.640 -0.001 0.000 0.250 3806 D C -0.062 176.243 176.300 0.008 0.000 1.164 3806 D CA -0.165 53.840 54.000 0.008 0.000 0.870 3806 D CB 1.720 42.525 40.800 0.009 0.000 1.160 3806 D HN 0.085 nan 8.370 nan 0.000 0.549 3807 G N 2.061 110.865 108.800 0.008 0.000 3.279 3807 G HA2 0.005 3.965 3.960 -0.001 0.000 0.230 3807 G HA3 0.005 3.965 3.960 -0.001 0.000 0.230 3807 G C 0.616 175.521 174.900 0.009 0.000 1.230 3807 G CA -0.096 45.008 45.100 0.007 0.000 0.891 3807 G HN 0.095 nan 8.290 nan 0.000 0.518 3808 R N -0.068 120.438 120.500 0.010 0.000 2.437 3808 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 3808 R C -0.476 175.832 176.300 0.012 0.000 0.955 3808 R CA -0.574 55.533 56.100 0.012 0.000 0.851 3808 R CB 1.519 31.827 30.300 0.013 0.000 1.161 3808 R HN 0.305 nan 8.270 nan 0.000 0.446 3809 I N -0.196 120.382 120.570 0.013 0.000 3.042 3809 I HA 0.843 5.013 4.170 -0.001 0.000 0.310 3809 I C -0.547 175.580 176.117 0.016 0.000 1.117 3809 I CA -1.245 60.063 61.300 0.013 0.000 1.003 3809 I CB 2.161 40.167 38.000 0.011 0.000 1.228 3809 I HN 0.315 nan 8.210 nan 0.000 0.443 3810 V N 0.140 120.064 119.914 0.018 0.000 3.130 3810 V HA 0.839 4.959 4.120 -0.001 0.000 0.310 3810 V C 0.072 176.179 176.094 0.023 0.000 1.158 3810 V CA -0.404 61.909 62.300 0.022 0.000 1.029 3810 V CB 1.161 32.998 31.823 0.024 0.000 1.057 3810 V HN 1.156 nan 8.190 nan 0.000 0.436 3811 S N 1.518 117.235 115.700 0.028 0.000 2.576 3811 S HA 0.701 5.171 4.470 -0.001 0.000 0.276 3811 S C 0.487 175.106 174.600 0.031 0.000 1.339 3811 S CA 0.154 58.372 58.200 0.030 0.000 1.039 3811 S CB 0.899 64.121 63.200 0.037 0.000 0.902 3811 S HN 1.803 nan 8.310 nan 0.000 0.516 3812 G N 0.065 108.884 108.800 0.031 0.000 2.641 3812 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 3812 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 3812 G C 0.892 175.811 174.900 0.031 0.000 1.402 3812 G CA -0.563 44.554 45.100 0.029 0.000 1.046 3812 G HN 2.025 nan 8.290 nan 0.000 0.565 3813 G N -2.222 106.595 108.800 0.029 0.000 2.155 3813 G HA2 0.237 4.196 3.960 -0.001 0.000 0.257 3813 G HA3 0.237 4.196 3.960 -0.001 0.000 0.257 3813 G C 1.459 176.361 174.900 0.003 0.000 0.983 3813 G CA 1.159 46.274 45.100 0.025 0.000 0.676 3813 G HN 2.515 nan 8.290 nan 0.000 0.528 3814 G N -1.296 107.499 108.800 -0.009 0.000 2.157 3814 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 3814 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 3814 G C 1.417 176.287 174.900 -0.049 0.000 0.979 3814 G CA 1.653 46.732 45.100 -0.035 0.000 0.650 3814 G HN 1.938 nan 8.290 nan 0.000 0.529 3815 S N 0.057 115.752 115.700 -0.007 0.000 2.368 3815 S HA -0.162 4.308 4.470 -0.001 0.000 0.225 3815 S C 2.799 177.390 174.600 -0.015 0.000 1.030 3815 S CA 2.800 61.016 58.200 0.026 0.000 0.999 3815 S CB -0.528 62.740 63.200 0.112 0.000 0.844 3815 S HN 1.409 nan 8.310 nan 0.000 0.459 3816 T N -0.393 114.161 114.554 0.001 0.000 2.701 3816 T HA -0.047 4.303 4.350 -0.001 0.000 0.263 3816 T C 1.564 176.230 174.700 -0.058 0.000 1.040 3816 T CA 1.541 63.641 62.100 -0.001 0.000 1.147 3816 T CB -0.874 67.999 68.868 0.008 0.000 0.865 3816 T HN 0.405 nan 8.240 nan 0.000 0.426 3817 E N 1.053 121.207 120.200 -0.076 0.000 2.130 3817 E HA -0.076 4.273 4.350 -0.001 0.000 0.196 3817 E C 2.289 178.797 176.600 -0.153 0.000 0.998 3817 E CA 1.077 57.414 56.400 -0.105 0.000 0.806 3817 E CB -0.766 28.873 29.700 -0.101 0.000 0.738 3817 E HN 0.434 nan 8.360 nan 0.000 0.459 3818 V N 0.436 120.212 119.914 -0.230 0.000 2.323 3818 V HA -0.221 3.899 4.120 -0.001 0.000 0.244 3818 V C 2.285 178.140 176.094 -0.399 0.000 1.041 3818 V CA 1.840 63.924 62.300 -0.360 0.000 1.025 3818 V CB -0.436 31.054 31.823 -0.555 0.000 0.656 3818 V HN 0.212 nan 8.190 nan 0.000 0.451 3819 E N 0.620 120.579 120.200 -0.402 0.000 2.097 3819 E HA -0.231 4.118 4.350 -0.001 0.000 0.196 3819 E C 2.033 178.599 176.600 -0.057 0.000 1.000 3819 E CA 1.714 58.080 56.400 -0.056 0.000 0.804 3819 E CB -0.398 29.383 29.700 0.135 0.000 0.740 3819 E HN 0.557 nan 8.360 nan 0.000 0.454 3820 L N -0.148 121.032 121.223 -0.072 0.000 2.056 3820 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 3820 L C 2.542 179.364 176.870 -0.080 0.000 1.078 3820 L CA 1.269 56.076 54.840 -0.056 0.000 0.749 3820 L CB -0.391 41.652 42.059 -0.027 0.000 0.901 3820 L HN 0.110 nan 8.230 nan 0.000 0.433 3821 S N -0.559 115.081 115.700 -0.099 0.000 2.382 3821 S HA -0.148 4.322 4.470 -0.001 0.000 0.228 3821 S C 2.015 176.560 174.600 -0.091 0.000 1.027 3821 S CA 1.225 59.371 58.200 -0.091 0.000 0.991 3821 S CB -0.110 63.028 63.200 -0.104 0.000 0.823 3821 S HN 0.270 nan 8.310 nan 0.000 0.469 3822 M N 1.384 120.925 119.600 -0.098 0.000 2.064 3822 M HA -0.049 4.430 4.480 -0.001 0.000 0.260 3822 M C 2.043 178.259 176.300 -0.140 0.000 1.073 3822 M CA 1.608 56.862 55.300 -0.077 0.000 1.124 3822 M CB -1.106 31.483 32.600 -0.018 0.000 1.326 3822 M HN 0.225 nan 8.290 nan 0.000 0.410 3823 K N 0.252 120.522 120.400 -0.216 0.000 2.103 3823 K HA 0.001 4.321 4.320 -0.001 0.000 0.204 3823 K C 2.061 178.148 176.600 -0.854 0.000 1.052 3823 K CA 0.874 56.869 56.287 -0.486 0.000 0.945 3823 K CB -0.179 32.048 32.500 -0.455 0.000 0.722 3823 K HN 0.261 nan 8.250 nan 0.000 0.443 3824 L N 0.534 121.464 121.223 -0.488 0.000 2.201 3824 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 3824 L C 2.341 179.153 176.870 -0.096 0.000 1.105 3824 L CA 0.963 55.646 54.840 -0.262 0.000 0.775 3824 L CB -0.275 41.778 42.059 -0.009 0.000 0.913 3824 L HN 0.129 nan 8.230 nan 0.000 0.440 3825 R N 0.043 120.484 120.500 -0.098 0.000 2.115 3825 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 3825 R C 2.082 178.379 176.300 -0.005 0.000 1.111 3825 R CA 1.223 57.306 56.100 -0.027 0.000 0.976 3825 R CB -0.126 30.157 30.300 -0.028 0.000 0.870 3825 R HN 0.463 nan 8.270 nan 0.000 0.445 3826 E N -0.523 119.646 120.200 -0.051 0.000 2.107 3826 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 3826 E C 1.576 178.297 176.600 0.202 0.000 0.982 3826 E CA 0.809 57.235 56.400 0.044 0.000 0.809 3826 E CB 0.015 29.729 29.700 0.023 0.000 0.756 3826 E HN 0.320 nan 8.360 nan 0.000 0.459 3827 Y N 0.655 120.970 120.300 0.026 0.000 2.224 3827 Y HA -0.087 4.462 4.550 -0.001 0.000 0.289 3827 Y C 2.400 178.311 175.900 0.019 0.000 1.146 3827 Y CA 0.588 58.700 58.100 0.020 0.000 1.182 3827 Y CB -1.159 37.313 38.460 0.020 0.000 0.983 3827 Y HN 0.033 nan 8.280 nan 0.000 0.524 3828 A N 0.269 123.201 122.820 0.186 0.000 1.940 3828 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 3828 A C 2.175 179.810 177.584 0.085 0.000 1.176 3828 A CA 1.675 53.780 52.037 0.114 0.000 0.631 3828 A CB -0.395 18.660 19.000 0.092 0.000 0.814 3828 A HN 0.319 nan 8.150 nan 0.000 0.446 3829 E N -0.548 119.703 120.200 0.084 0.000 2.106 3829 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 3829 E C 2.147 178.781 176.600 0.055 0.000 0.984 3829 E CA 1.139 57.576 56.400 0.062 0.000 0.806 3829 E CB -0.611 29.124 29.700 0.058 0.000 0.750 3829 E HN 0.595 nan 8.360 nan 0.000 0.458 3830 G N 0.920 109.761 108.800 0.069 0.000 2.430 3830 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 3830 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 3830 G C 1.742 176.658 174.900 0.027 0.000 1.146 3830 G CA 0.162 45.288 45.100 0.043 0.000 0.793 3830 G HN 0.142 nan 8.290 nan 0.000 0.537 3831 I N -0.104 120.488 120.570 0.037 0.000 2.163 3831 I HA -0.025 4.144 4.170 -0.001 0.000 0.240 3831 I C 1.762 177.891 176.117 0.019 0.000 1.081 3831 I CA 0.831 62.145 61.300 0.023 0.000 1.353 3831 I CB -0.306 37.714 38.000 0.034 0.000 1.054 3831 I HN 0.308 nan 8.210 nan 0.000 0.407 3832 S N -1.137 114.580 115.700 0.028 0.000 3.513 3832 S HA -0.119 4.351 4.470 -0.001 0.000 0.636 3832 S C 0.448 175.058 174.600 0.017 0.000 2.452 3832 S CA 0.756 58.969 58.200 0.022 0.000 2.644 3832 S CB -1.419 61.791 63.200 0.016 0.000 0.331 3832 S HN 1.458 nan 8.310 nan 0.000 1.787 3833 G N 0.665 109.472 108.800 0.013 0.000 2.601 3833 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 3833 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 3833 G C 0.329 175.236 174.900 0.011 0.000 1.289 3833 G CA 0.967 46.072 45.100 0.008 0.000 0.920 3833 G HN 1.090 nan 8.290 nan 0.000 0.571 3834 R N 0.213 120.717 120.500 0.007 0.000 2.115 3834 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 3834 R C 2.535 178.841 176.300 0.011 0.000 1.100 3834 R CA 1.372 57.478 56.100 0.010 0.000 0.980 3834 R CB -0.235 30.069 30.300 0.007 0.000 0.875 3834 R HN 0.716 nan 8.270 nan 0.000 0.445 3835 E N 0.952 121.156 120.200 0.007 0.000 2.171 3835 E HA -0.263 4.087 4.350 -0.001 0.000 0.197 3835 E C 2.059 178.677 176.600 0.030 0.000 0.997 3835 E CA 1.078 57.483 56.400 0.008 0.000 0.810 3835 E CB 0.100 29.801 29.700 0.001 0.000 0.738 3835 E HN 0.205 nan 8.360 nan 0.000 0.467 3836 Q N 0.596 120.416 119.800 0.035 0.000 2.226 3836 Q HA -0.165 4.175 4.340 -0.001 0.000 0.204 3836 Q C 2.146 178.184 176.000 0.063 0.000 0.975 3836 Q CA 0.927 56.760 55.803 0.051 0.000 0.866 3836 Q CB -0.068 28.696 28.738 0.043 0.000 0.915 3836 Q HN 0.431 nan 8.270 nan 0.000 0.440 3837 L N 0.050 121.304 121.223 0.053 0.000 2.027 3837 L HA -0.140 4.199 4.340 -0.001 0.000 0.206 3837 L C 2.607 179.535 176.870 0.096 0.000 1.074 3837 L CA 1.266 56.142 54.840 0.060 0.000 0.745 3837 L CB -0.658 41.425 42.059 0.039 0.000 0.898 3837 L HN 0.167 nan 8.230 nan 0.000 0.433 3838 A N -0.548 122.328 122.820 0.092 0.000 1.929 3838 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 3838 A C 2.312 180.098 177.584 0.336 0.000 1.176 3838 A CA 1.287 53.423 52.037 0.166 0.000 0.628 3838 A CB -0.681 18.302 19.000 -0.029 0.000 0.816 3838 A HN 0.178 nan 8.150 nan 0.000 0.444 3839 V N 0.137 120.176 119.914 0.209 0.000 2.343 3839 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 3839 V C 2.673 178.897 176.094 0.217 0.000 1.051 3839 V CA 2.328 64.748 62.300 0.200 0.000 1.036 3839 V CB -0.790 31.101 31.823 0.112 0.000 0.654 3839 V HN 0.623 nan 8.190 nan 0.000 0.451 3840 R N 1.128 121.724 120.500 0.160 0.000 2.081 3840 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 3840 R C 2.158 178.532 176.300 0.123 0.000 1.131 3840 R CA 1.922 58.092 56.100 0.118 0.000 0.960 3840 R CB -0.991 29.357 30.300 0.081 0.000 0.856 3840 R HN 0.431 nan 8.270 nan 0.000 0.436 3841 A N -0.454 122.466 122.820 0.165 0.000 1.933 3841 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 3841 A C 2.157 179.808 177.584 0.111 0.000 1.175 3841 A CA 1.331 53.459 52.037 0.151 0.000 0.628 3841 A CB -0.840 18.291 19.000 0.218 0.000 0.814 3841 A HN 0.486 nan 8.150 nan 0.000 0.444 3842 F N 0.984 120.945 119.950 0.018 0.000 2.075 3842 F HA -0.104 4.423 4.527 -0.001 0.000 0.297 3842 F C 2.537 178.258 175.800 -0.130 0.000 1.113 3842 F CA 1.519 59.402 58.000 -0.195 0.000 1.218 3842 F CB -0.398 38.517 39.000 -0.142 0.000 0.984 3842 F HN 0.245 nan 8.300 nan 0.000 0.472 3843 A N -0.171 122.721 122.820 0.120 0.000 1.902 3843 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 3843 A C 1.889 179.420 177.584 -0.089 0.000 1.181 3843 A CA 1.966 54.012 52.037 0.014 0.000 0.623 3843 A CB -0.978 18.063 19.000 0.069 0.000 0.818 3843 A HN 0.457 nan 8.150 nan 0.000 0.443 3844 D N 0.018 120.383 120.400 -0.058 0.000 2.219 3844 D HA 0.025 4.665 4.640 -0.001 0.000 0.205 3844 D C 2.116 178.348 176.300 -0.113 0.000 0.970 3844 D CA 1.189 55.149 54.000 -0.067 0.000 0.851 3844 D CB -0.349 40.434 40.800 -0.027 0.000 0.943 3844 D HN 0.426 nan 8.370 nan 0.000 0.488 3845 A N 0.619 123.336 122.820 -0.172 0.000 2.024 3845 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 3845 A C 2.244 179.695 177.584 -0.220 0.000 1.164 3845 A CA 0.766 52.674 52.037 -0.215 0.000 0.643 3845 A CB -0.714 18.087 19.000 -0.333 0.000 0.806 3845 A HN 0.244 nan 8.150 nan 0.000 0.451 3846 L N -0.359 120.718 121.223 -0.243 0.000 2.265 3846 L HA -0.140 4.200 4.340 -0.001 0.000 0.215 3846 L C 2.014 178.799 176.870 -0.142 0.000 1.117 3846 L CA 0.769 55.487 54.840 -0.202 0.000 0.782 3846 L CB -0.452 41.490 42.059 -0.195 0.000 0.914 3846 L HN 0.325 nan 8.230 nan 0.000 0.441 3847 E N -0.322 119.804 120.200 -0.123 0.000 2.409 3847 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 3847 E C 2.181 178.730 176.600 -0.084 0.000 1.024 3847 E CA 0.606 56.949 56.400 -0.095 0.000 0.861 3847 E CB -0.191 29.462 29.700 -0.080 0.000 0.788 3847 E HN 0.305 nan 8.360 nan 0.000 0.521 3848 V N 0.862 120.721 119.914 -0.092 0.000 2.759 3848 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 3848 V C 1.779 177.829 176.094 -0.073 0.000 1.080 3848 V CA 0.909 63.161 62.300 -0.079 0.000 1.101 3848 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 3848 V HN 0.127 nan 8.190 nan 0.000 0.477 3849 I N 0.491 121.013 120.570 -0.080 0.000 2.296 3849 I HA 0.018 4.188 4.170 -0.001 0.000 0.242 3849 I C 0.129 176.208 176.117 -0.063 0.000 1.087 3849 I CA 1.180 62.438 61.300 -0.071 0.000 1.393 3849 I CB -2.733 35.223 38.000 -0.074 0.000 1.093 3849 I HN 0.307 nan 8.210 nan 0.000 0.421 3850 P HA -0.162 nan 4.420 nan 0.000 0.216 3850 P C 1.826 179.094 177.300 -0.053 0.000 1.150 3850 P CA 1.426 64.491 63.100 -0.058 0.000 0.843 3850 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 3851 R N -0.627 119.840 120.500 -0.055 0.000 2.052 3851 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 3851 R C 1.932 178.203 176.300 -0.048 0.000 1.145 3851 R CA 1.994 58.064 56.100 -0.049 0.000 0.952 3851 R CB -1.291 28.980 30.300 -0.049 0.000 0.847 3851 R HN 0.058 nan 8.270 nan 0.000 0.431 3852 T N 2.606 117.130 114.554 -0.051 0.000 2.833 3852 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 3852 T C 1.723 176.391 174.700 -0.054 0.000 1.054 3852 T CA 1.134 63.204 62.100 -0.050 0.000 1.135 3852 T CB -0.218 68.619 68.868 -0.051 0.000 0.869 3852 T HN 0.113 nan 8.240 nan 0.000 0.466 3853 L N 1.610 122.799 121.223 -0.057 0.000 1.994 3853 L HA 0.075 4.415 4.340 -0.001 0.000 0.208 3853 L C 2.618 179.447 176.870 -0.068 0.000 1.071 3853 L CA 2.046 56.847 54.840 -0.065 0.000 0.745 3853 L CB -1.064 40.958 42.059 -0.061 0.000 0.892 3853 L HN 0.206 nan 8.230 nan 0.000 0.431 3854 A N -1.178 121.607 122.820 -0.057 0.000 2.019 3854 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 3854 A C 2.210 179.764 177.584 -0.050 0.000 1.164 3854 A CA 1.649 53.655 52.037 -0.053 0.000 0.644 3854 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 3854 A HN 0.574 nan 8.150 nan 0.000 0.449 3855 E N 0.579 120.750 120.200 -0.048 0.000 2.072 3855 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 3855 E C 1.705 178.276 176.600 -0.047 0.000 0.985 3855 E CA 1.445 57.819 56.400 -0.043 0.000 0.801 3855 E CB -0.162 29.514 29.700 -0.041 0.000 0.750 3855 E HN 0.547 nan 8.360 nan 0.000 0.452 3856 N N -0.052 118.615 118.700 -0.055 0.000 2.309 3856 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 3856 N C 1.272 176.739 175.510 -0.071 0.000 1.018 3856 N CA 1.140 54.154 53.050 -0.061 0.000 0.876 3856 N CB -0.252 38.195 38.487 -0.067 0.000 0.972 3856 N HN 0.246 nan 8.380 nan 0.000 0.434 3857 A N -0.076 122.697 122.820 -0.079 0.000 2.119 3857 A HA 0.315 4.634 4.320 -0.001 0.000 0.216 3857 A C 1.482 179.030 177.584 -0.060 0.000 1.152 3857 A CA 1.033 53.019 52.037 -0.086 0.000 0.708 3857 A CB -0.396 18.546 19.000 -0.096 0.000 0.805 3857 A HN 0.309 nan 8.150 nan 0.000 0.460 3858 G N -1.277 107.494 108.800 -0.048 0.000 2.149 3858 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 3858 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 3858 G C -0.032 174.850 174.900 -0.030 0.000 1.018 3858 G CA 0.342 45.420 45.100 -0.036 0.000 0.728 3858 G HN 0.443 nan 8.290 nan 0.000 0.508 3859 L N -0.213 120.991 121.223 -0.033 0.000 2.387 3859 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 3859 L C 0.540 177.395 176.870 -0.024 0.000 1.059 3859 L CA -1.115 53.709 54.840 -0.027 0.000 0.801 3859 L CB 0.781 42.822 42.059 -0.029 0.000 1.223 3859 L HN 0.100 nan 8.230 nan 0.000 0.456 3860 D N 0.800 121.188 120.400 -0.019 0.000 2.363 3860 D HA 0.085 4.725 4.640 -0.001 0.000 0.263 3860 D C 0.747 177.034 176.300 -0.021 0.000 1.258 3860 D CA 0.171 54.160 54.000 -0.018 0.000 0.907 3860 D CB 1.743 42.535 40.800 -0.014 0.000 1.107 3860 D HN 0.629 nan 8.370 nan 0.000 0.495 3861 A N 5.317 128.123 122.820 -0.023 0.000 1.940 3861 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 3861 A C 2.071 179.641 177.584 -0.024 0.000 1.176 3861 A CA 0.943 52.965 52.037 -0.026 0.000 0.631 3861 A CB -0.178 18.805 19.000 -0.027 0.000 0.814 3861 A HN 0.698 nan 8.150 nan 0.000 0.446 3862 I N -0.708 119.850 120.570 -0.020 0.000 2.296 3862 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 3862 I C 2.436 178.544 176.117 -0.015 0.000 1.087 3862 I CA 1.584 62.874 61.300 -0.018 0.000 1.393 3862 I CB -1.524 36.467 38.000 -0.015 0.000 1.093 3862 I HN 0.562 nan 8.210 nan 0.000 0.421 3863 E N 1.256 121.448 120.200 -0.013 0.000 2.077 3863 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 3863 E C 2.327 178.921 176.600 -0.010 0.000 0.989 3863 E CA 1.159 57.553 56.400 -0.010 0.000 0.800 3863 E CB 0.178 29.873 29.700 -0.008 0.000 0.746 3863 E HN 0.208 nan 8.360 nan 0.000 0.452 3864 I N 0.877 121.439 120.570 -0.013 0.000 2.127 3864 I HA -0.273 3.896 4.170 -0.001 0.000 0.241 3864 I C 2.416 178.525 176.117 -0.014 0.000 1.075 3864 I CA 1.015 62.307 61.300 -0.013 0.000 1.334 3864 I CB -0.984 37.005 38.000 -0.019 0.000 1.040 3864 I HN 0.275 nan 8.210 nan 0.000 0.405 3865 L N 0.011 121.222 121.223 -0.020 0.000 2.131 3865 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 3865 L C 2.541 179.400 176.870 -0.019 0.000 1.092 3865 L CA 1.254 56.079 54.840 -0.025 0.000 0.759 3865 L CB -0.953 41.088 42.059 -0.031 0.000 0.903 3865 L HN 0.004 nan 8.230 nan 0.000 0.435 3866 V N -1.155 118.752 119.914 -0.013 0.000 2.323 3866 V HA -0.237 3.882 4.120 -0.001 0.000 0.244 3866 V C 2.488 178.582 176.094 0.001 0.000 1.041 3866 V CA 1.377 63.673 62.300 -0.006 0.000 1.025 3866 V CB -0.392 31.428 31.823 -0.005 0.000 0.656 3866 V HN 0.300 nan 8.190 nan 0.000 0.451 3867 K N -0.182 120.218 120.400 0.001 0.000 2.155 3867 K HA -0.030 4.289 4.320 -0.001 0.000 0.203 3867 K C 1.865 178.474 176.600 0.015 0.000 1.052 3867 K CA 0.856 57.147 56.287 0.007 0.000 0.948 3867 K CB -0.441 32.062 32.500 0.005 0.000 0.728 3867 K HN 0.313 nan 8.250 nan 0.000 0.448 3868 V N 0.509 120.430 119.914 0.013 0.000 2.346 3868 V HA -0.157 3.963 4.120 -0.001 0.000 0.244 3868 V C 2.065 178.185 176.094 0.043 0.000 1.037 3868 V CA 1.531 63.845 62.300 0.023 0.000 1.029 3868 V CB -0.297 31.527 31.823 0.002 0.000 0.663 3868 V HN 0.224 nan 8.190 nan 0.000 0.454 3869 R N 0.154 120.664 120.500 0.017 0.000 2.115 3869 R HA -0.056 4.284 4.340 -0.001 0.000 0.230 3869 R C 2.391 178.728 176.300 0.061 0.000 1.111 3869 R CA 1.325 57.440 56.100 0.024 0.000 0.976 3869 R CB -0.493 29.800 30.300 -0.013 0.000 0.870 3869 R HN 0.534 nan 8.270 nan 0.000 0.445 3870 A N 1.274 124.117 122.820 0.039 0.000 1.873 3870 A HA -0.065 4.255 4.320 -0.001 0.000 0.215 3870 A C 2.364 179.972 177.584 0.040 0.000 1.186 3870 A CA 1.555 53.612 52.037 0.034 0.000 0.616 3870 A CB -0.612 18.399 19.000 0.019 0.000 0.823 3870 A HN 0.365 nan 8.150 nan 0.000 0.442 3871 A N -1.072 121.775 122.820 0.045 0.000 1.933 3871 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 3871 A C 2.005 179.616 177.584 0.044 0.000 1.175 3871 A CA 2.071 54.130 52.037 0.037 0.000 0.628 3871 A CB -0.856 18.165 19.000 0.036 0.000 0.814 3871 A HN 0.781 nan 8.150 nan 0.000 0.444 3872 H N -0.206 118.860 119.070 -0.007 0.000 2.326 3872 H HA 0.053 4.609 4.556 -0.001 0.000 0.301 3872 H C 2.217 177.540 175.328 -0.008 0.000 1.081 3872 H CA 1.973 58.017 56.048 -0.008 0.000 1.334 3872 H CB -0.198 29.557 29.762 -0.012 0.000 1.385 3872 H HN 0.388 nan 8.280 nan 0.000 0.504 3873 A N -0.639 122.243 122.820 0.104 0.000 1.908 3873 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 3873 A C 2.568 180.141 177.584 -0.019 0.000 1.181 3873 A CA 2.060 54.129 52.037 0.053 0.000 0.627 3873 A CB -1.064 17.974 19.000 0.063 0.000 0.818 3873 A HN 0.515 nan 8.150 nan 0.000 0.445 3874 S N -0.638 115.050 115.700 -0.019 0.000 2.341 3874 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 3874 S C 1.876 176.447 174.600 -0.048 0.000 1.034 3874 S CA 1.060 59.245 58.200 -0.025 0.000 0.964 3874 S CB -0.398 62.796 63.200 -0.011 0.000 0.882 3874 S HN 0.597 nan 8.310 nan 0.000 0.469 3875 N N 1.087 119.752 118.700 -0.058 0.000 2.354 3875 N HA 0.231 4.970 4.740 -0.001 0.000 0.179 3875 N C 1.065 176.509 175.510 -0.109 0.000 1.021 3875 N CA 1.019 54.030 53.050 -0.065 0.000 0.887 3875 N CB -0.135 38.325 38.487 -0.044 0.000 0.974 3875 N HN 0.623 nan 8.380 nan 0.000 0.437 3876 G N 0.668 109.344 108.800 -0.206 0.000 2.498 3876 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.651 3876 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.651 3876 G C 0.145 174.785 174.900 -0.434 0.000 1.284 3876 G CA 0.043 44.960 45.100 -0.305 0.000 0.950 3876 G HN 0.349 nan 8.290 nan 0.000 0.511 3877 N N -0.308 118.192 118.700 -0.335 0.000 2.446 3877 N HA 0.003 4.743 4.740 -0.001 0.000 0.179 3877 N C 1.593 177.099 175.510 -0.006 0.000 1.054 3877 N CA 1.611 54.600 53.050 -0.101 0.000 0.905 3877 N CB -0.077 38.454 38.487 0.073 0.000 0.973 3877 N HN 0.883 nan 8.380 nan 0.000 0.448 3878 K N -1.001 119.377 120.400 -0.037 0.000 2.404 3878 K HA 0.265 4.585 4.320 -0.001 0.000 0.194 3878 K C -0.320 176.272 176.600 -0.013 0.000 1.023 3878 K CA -0.013 56.266 56.287 -0.012 0.000 1.094 3878 K CB 0.078 32.569 32.500 -0.015 0.000 0.841 3878 K HN 0.118 nan 8.250 nan 0.000 0.523 3879 C N 1.521 120.805 119.300 -0.027 0.000 3.114 3879 C HA 0.689 5.148 4.460 -0.001 0.000 0.215 3879 C C 0.141 175.131 174.990 -0.001 0.000 1.759 3879 C CA -0.706 58.301 59.018 -0.017 0.000 1.455 3879 C CB -0.569 27.149 27.740 -0.035 0.000 2.528 3879 C HN 0.598 nan 8.230 nan 0.000 0.511 3880 A N 0.077 122.917 122.820 0.034 0.000 2.593 3880 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 3880 A C -0.077 177.552 177.584 0.075 0.000 1.233 3880 A CA 0.222 52.307 52.037 0.079 0.000 0.661 3880 A CB 0.343 19.453 19.000 0.183 0.000 1.338 3880 A HN 1.915 nan 8.150 nan 0.000 0.495 3881 G N -2.105 106.741 108.800 0.077 0.000 2.699 3881 G HA2 0.414 4.374 3.960 -0.001 0.000 0.686 3881 G HA3 0.414 4.374 3.960 -0.001 0.000 0.686 3881 G C -0.983 173.940 174.900 0.038 0.000 1.301 3881 G CA -0.096 45.032 45.100 0.048 0.000 0.816 3881 G HN 2.064 nan 8.290 nan 0.000 0.595 3882 L N 0.537 121.776 121.223 0.026 0.000 2.289 3882 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 3882 L C 0.181 177.075 176.870 0.039 0.000 1.049 3882 L CA -1.027 53.826 54.840 0.021 0.000 0.804 3882 L CB 1.602 43.660 42.059 -0.002 0.000 1.195 3882 L HN 0.721 nan 8.230 nan 0.000 0.428 3883 N N 2.998 121.730 118.700 0.054 0.000 2.527 3883 N HA 0.212 4.951 4.740 -0.001 0.000 0.236 3883 N C 0.766 176.315 175.510 0.064 0.000 0.999 3883 N CA -0.221 52.891 53.050 0.105 0.000 0.935 3883 N CB 1.055 39.616 38.487 0.124 0.000 1.132 3883 N HN 0.525 nan 8.380 nan 0.000 0.511 3884 V N 1.323 121.228 119.914 -0.015 0.000 2.970 3884 V HA 0.023 4.142 4.120 -0.001 0.000 0.260 3884 V C 1.344 177.340 176.094 -0.164 0.000 1.100 3884 V CA 1.121 63.341 62.300 -0.134 0.000 1.122 3884 V CB -1.154 30.518 31.823 -0.251 0.000 0.721 3884 V HN 0.398 nan 8.190 nan 0.000 0.483 3885 F N 2.703 122.650 119.950 -0.004 0.000 2.234 3885 F HA -0.020 4.506 4.527 -0.001 0.000 0.299 3885 F C 2.595 178.393 175.800 -0.003 0.000 1.087 3885 F CA 1.870 59.868 58.000 -0.003 0.000 1.340 3885 F CB -0.569 38.429 39.000 -0.002 0.000 1.031 3885 F HN 0.424 nan 8.300 nan 0.000 0.500 3886 T N -4.557 110.097 114.554 0.167 0.000 2.985 3886 T HA 0.415 4.765 4.350 -0.001 0.000 0.254 3886 T C 1.428 176.156 174.700 0.046 0.000 1.021 3886 T CA 0.369 62.523 62.100 0.089 0.000 0.957 3886 T CB 0.345 69.258 68.868 0.075 0.000 1.047 3886 T HN 0.343 nan 8.240 nan 0.000 0.511 3887 G N 1.169 109.989 108.800 0.032 0.000 2.291 3887 G HA2 0.288 4.248 3.960 -0.001 0.000 0.271 3887 G HA3 0.288 4.248 3.960 -0.001 0.000 0.271 3887 G C 0.025 174.931 174.900 0.010 0.000 1.099 3887 G CA -0.220 44.883 45.100 0.005 0.000 0.919 3887 G HN 1.401 nan 8.290 nan 0.000 0.496 3888 A N -1.348 121.484 122.820 0.019 0.000 2.604 3888 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 3888 A C 0.028 177.626 177.584 0.023 0.000 1.067 3888 A CA 0.096 52.144 52.037 0.018 0.000 0.683 3888 A CB 1.673 20.686 19.000 0.021 0.000 1.281 3888 A HN 1.783 nan 8.150 nan 0.000 0.407 3889 V N 1.864 121.789 119.914 0.019 0.000 2.599 3889 V HA 0.428 4.547 4.120 -0.001 0.000 0.300 3889 V C -0.223 175.887 176.094 0.027 0.000 1.034 3889 V CA 0.862 63.176 62.300 0.023 0.000 1.115 3889 V CB 0.538 32.374 31.823 0.021 0.000 0.934 3889 V HN 0.872 nan 8.190 nan 0.000 0.485 3890 E N 3.678 123.897 120.200 0.033 0.000 2.458 3890 E HA 0.315 4.664 4.350 -0.001 0.000 0.278 3890 E C -1.424 175.194 176.600 0.031 0.000 1.004 3890 E CA -0.716 55.703 56.400 0.032 0.000 0.823 3890 E CB 1.472 31.196 29.700 0.039 0.000 1.396 3890 E HN 0.715 nan 8.360 nan 0.000 0.463 3891 D N 1.925 122.339 120.400 0.024 0.000 2.393 3891 D HA 0.098 4.738 4.640 -0.001 0.000 0.232 3891 D C 0.929 177.243 176.300 0.023 0.000 1.192 3891 D CA -0.152 53.860 54.000 0.020 0.000 0.882 3891 D CB 0.542 41.348 40.800 0.010 0.000 1.038 3891 D HN 0.214 nan 8.370 nan 0.000 0.499 3892 M N 2.189 121.808 119.600 0.031 0.000 2.159 3892 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 3892 M C 2.347 178.660 176.300 0.023 0.000 1.063 3892 M CA 0.641 55.961 55.300 0.034 0.000 1.110 3892 M CB -1.181 31.444 32.600 0.042 0.000 1.374 3892 M HN 0.535 nan 8.290 nan 0.000 0.411 3893 C N 0.712 120.023 119.300 0.019 0.000 2.453 3893 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 3893 C C 2.688 177.682 174.990 0.005 0.000 1.262 3893 C CA 1.358 60.383 59.018 0.012 0.000 1.718 3893 C CB -0.915 26.831 27.740 0.010 0.000 2.031 3893 C HN 0.638 nan 8.230 nan 0.000 0.480 3894 E N 0.159 120.362 120.200 0.004 0.000 2.118 3894 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 3894 E C 1.392 177.989 176.600 -0.004 0.000 0.992 3894 E CA 1.351 57.751 56.400 -0.000 0.000 0.804 3894 E CB -0.209 29.492 29.700 0.000 0.000 0.741 3894 E HN 0.661 nan 8.360 nan 0.000 0.458 3895 N N -0.416 118.283 118.700 -0.002 0.000 2.461 3895 N HA -0.005 4.735 4.740 -0.001 0.000 0.188 3895 N C 0.769 176.267 175.510 -0.020 0.000 1.134 3895 N CA 0.935 53.978 53.050 -0.013 0.000 0.878 3895 N CB 0.906 39.389 38.487 -0.007 0.000 0.972 3895 N HN 0.343 nan 8.380 nan 0.000 0.456 3896 G N 0.461 109.255 108.800 -0.010 0.000 2.147 3896 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 3896 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 3896 G C -0.002 174.896 174.900 -0.004 0.000 1.005 3896 G CA 0.048 45.142 45.100 -0.010 0.000 0.713 3896 G HN 0.197 nan 8.290 nan 0.000 0.515 3897 V N 1.477 121.395 119.914 0.007 0.000 2.222 3897 V HA 0.504 4.623 4.120 -0.001 0.000 0.253 3897 V C 0.828 176.938 176.094 0.026 0.000 1.210 3897 V CA 0.158 62.472 62.300 0.024 0.000 1.079 3897 V CB 0.411 32.262 31.823 0.047 0.000 1.265 3897 V HN 1.048 nan 8.190 nan 0.000 0.494 3898 V N 1.928 121.854 119.914 0.020 0.000 3.130 3898 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 3898 V C -0.761 175.344 176.094 0.018 0.000 1.158 3898 V CA -0.909 61.402 62.300 0.019 0.000 1.029 3898 V CB 2.436 34.268 31.823 0.014 0.000 1.057 3898 V HN 0.777 nan 8.190 nan 0.000 0.436 3899 E N 0.961 121.171 120.200 0.017 0.000 2.390 3899 E HA 0.658 5.008 4.350 -0.001 0.000 0.277 3899 E C -3.277 173.331 176.600 0.013 0.000 0.939 3899 E CA -2.371 54.038 56.400 0.015 0.000 0.769 3899 E CB 2.339 32.048 29.700 0.015 0.000 1.251 3899 E HN 0.453 nan 8.360 nan 0.000 0.450 3900 P HA -0.046 nan 4.420 nan 0.000 0.266 3900 P C 0.518 177.826 177.300 0.013 0.000 1.195 3900 P CA -0.340 62.767 63.100 0.012 0.000 0.768 3900 P CB 0.507 32.213 31.700 0.010 0.000 0.838 3901 L N 4.473 125.705 121.223 0.014 0.000 2.012 3901 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 3901 L C 2.417 179.297 176.870 0.016 0.000 1.073 3901 L CA 1.865 56.715 54.840 0.016 0.000 0.748 3901 L CB -0.834 41.235 42.059 0.017 0.000 0.891 3901 L HN 0.311 nan 8.230 nan 0.000 0.431 3902 R N -0.969 119.539 120.500 0.014 0.000 2.133 3902 R HA -0.186 4.153 4.340 -0.001 0.000 0.247 3902 R C 2.029 178.337 176.300 0.012 0.000 1.151 3902 R CA 2.130 58.238 56.100 0.013 0.000 0.971 3902 R CB -0.404 29.903 30.300 0.012 0.000 0.866 3902 R HN 0.395 nan 8.270 nan 0.000 0.447 3903 V N 1.042 120.962 119.914 0.011 0.000 2.295 3903 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 3903 V C 2.332 178.430 176.094 0.007 0.000 1.049 3903 V CA 2.082 64.387 62.300 0.008 0.000 1.024 3903 V CB -0.482 31.346 31.823 0.008 0.000 0.648 3903 V HN 0.283 nan 8.190 nan 0.000 0.447 3904 K N 0.790 121.196 120.400 0.009 0.000 2.103 3904 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 3904 K C 2.224 178.832 176.600 0.014 0.000 1.052 3904 K CA 1.930 58.221 56.287 0.008 0.000 0.945 3904 K CB -0.667 31.839 32.500 0.011 0.000 0.722 3904 K HN 0.678 nan 8.250 nan 0.000 0.443 3905 T N -2.128 112.437 114.554 0.019 0.000 2.942 3905 T HA -0.072 4.278 4.350 -0.001 0.000 0.265 3905 T C 1.875 176.591 174.700 0.026 0.000 1.062 3905 T CA 0.817 62.933 62.100 0.027 0.000 1.139 3905 T CB -0.154 68.731 68.868 0.027 0.000 0.883 3905 T HN 0.104 nan 8.240 nan 0.000 0.468 3906 Q N 1.901 121.713 119.800 0.019 0.000 2.123 3906 Q HA 0.258 4.598 4.340 -0.001 0.000 0.199 3906 Q C 2.417 178.426 176.000 0.015 0.000 0.966 3906 Q CA 1.726 57.539 55.803 0.017 0.000 0.845 3906 Q CB -0.995 27.750 28.738 0.013 0.000 0.907 3906 Q HN 0.627 nan 8.270 nan 0.000 0.439 3907 A N 0.575 123.401 122.820 0.009 0.000 1.908 3907 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 3907 A C 1.946 179.532 177.584 0.003 0.000 1.181 3907 A CA 1.644 53.681 52.037 -0.001 0.000 0.627 3907 A CB -0.720 18.273 19.000 -0.012 0.000 0.818 3907 A HN 0.453 nan 8.150 nan 0.000 0.445 3908 I N -0.471 120.110 120.570 0.019 0.000 2.202 3908 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 3908 I C 2.645 178.806 176.117 0.072 0.000 1.091 3908 I CA 1.936 63.267 61.300 0.051 0.000 1.368 3908 I CB -1.434 36.615 38.000 0.082 0.000 1.058 3908 I HN 0.471 nan 8.210 nan 0.000 0.410 3909 Q N 1.263 121.096 119.800 0.055 0.000 2.030 3909 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 3909 Q C 2.412 178.441 176.000 0.048 0.000 0.986 3909 Q CA 2.595 58.429 55.803 0.052 0.000 0.843 3909 Q CB -0.301 28.460 28.738 0.037 0.000 0.904 3909 Q HN 0.345 nan 8.270 nan 0.000 0.420 3910 S N 0.010 115.730 115.700 0.034 0.000 2.368 3910 S HA -0.096 4.374 4.470 -0.001 0.000 0.225 3910 S C 1.901 176.520 174.600 0.031 0.000 1.030 3910 S CA 0.969 59.186 58.200 0.028 0.000 0.999 3910 S CB -0.629 62.581 63.200 0.017 0.000 0.844 3910 S HN 0.595 nan 8.310 nan 0.000 0.459 3911 A N 1.568 124.404 122.820 0.025 0.000 1.877 3911 A HA 0.127 4.447 4.320 -0.001 0.000 0.216 3911 A C 2.353 179.968 177.584 0.053 0.000 1.186 3911 A CA 1.708 53.755 52.037 0.016 0.000 0.620 3911 A CB -1.108 17.877 19.000 -0.025 0.000 0.822 3911 A HN 0.508 nan 8.150 nan 0.000 0.443 3912 A N 0.738 123.616 122.820 0.097 0.000 1.898 3912 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 3912 A C 1.996 179.660 177.584 0.133 0.000 1.181 3912 A CA 1.740 53.878 52.037 0.168 0.000 0.620 3912 A CB -0.640 18.484 19.000 0.206 0.000 0.819 3912 A HN 0.786 nan 8.150 nan 0.000 0.442 3913 E N 0.286 120.541 120.200 0.091 0.000 2.208 3913 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 3913 E C 1.819 178.458 176.600 0.065 0.000 0.988 3913 E CA 1.396 57.839 56.400 0.072 0.000 0.828 3913 E CB -0.345 29.386 29.700 0.052 0.000 0.763 3913 E HN 0.634 nan 8.360 nan 0.000 0.478 3914 S N 0.289 116.025 115.700 0.061 0.000 2.446 3914 S HA -0.038 4.432 4.470 -0.001 0.000 0.225 3914 S C 2.005 176.643 174.600 0.063 0.000 1.016 3914 S CA 0.948 59.179 58.200 0.050 0.000 0.943 3914 S CB -0.278 62.943 63.200 0.035 0.000 0.786 3914 S HN 0.205 nan 8.310 nan 0.000 0.508 3915 T N 2.293 116.900 114.554 0.089 0.000 2.737 3915 T HA -0.044 4.306 4.350 -0.001 0.000 0.265 3915 T C 1.737 176.519 174.700 0.136 0.000 1.038 3915 T CA 1.571 63.748 62.100 0.128 0.000 1.144 3915 T CB -0.384 68.601 68.868 0.196 0.000 0.866 3915 T HN 0.661 nan 8.240 nan 0.000 0.434 3916 E N 0.718 121.001 120.200 0.137 0.000 2.110 3916 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 3916 E C 2.231 178.869 176.600 0.063 0.000 0.988 3916 E CA 0.850 57.310 56.400 0.099 0.000 0.804 3916 E CB -0.211 29.545 29.700 0.092 0.000 0.745 3916 E HN 0.451 nan 8.360 nan 0.000 0.458 3917 M N 0.686 120.322 119.600 0.059 0.000 2.073 3917 M HA -0.234 4.245 4.480 -0.001 0.000 0.258 3917 M C 2.359 178.683 176.300 0.040 0.000 1.070 3917 M CA 1.600 56.926 55.300 0.044 0.000 1.103 3917 M CB -0.202 32.423 32.600 0.041 0.000 1.321 3917 M HN 0.338 nan 8.290 nan 0.000 0.405 3918 L N 0.526 121.775 121.223 0.045 0.000 2.012 3918 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 3918 L C 2.249 179.137 176.870 0.031 0.000 1.073 3918 L CA 1.450 56.313 54.840 0.038 0.000 0.748 3918 L CB -0.323 41.759 42.059 0.038 0.000 0.891 3918 L HN 0.419 nan 8.230 nan 0.000 0.431 3919 L N -0.684 120.560 121.223 0.034 0.000 2.131 3919 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 3919 L C 2.684 179.561 176.870 0.011 0.000 1.092 3919 L CA 1.132 55.981 54.840 0.015 0.000 0.759 3919 L CB -0.469 41.598 42.059 0.013 0.000 0.903 3919 L HN 0.246 nan 8.230 nan 0.000 0.435 3920 R N -0.202 120.311 120.500 0.022 0.000 2.189 3920 R HA 0.061 4.400 4.340 -0.001 0.000 0.218 3920 R C 0.435 176.746 176.300 0.019 0.000 1.074 3920 R CA 0.526 56.639 56.100 0.021 0.000 0.991 3920 R CB -0.072 30.242 30.300 0.025 0.000 0.883 3920 R HN 0.278 nan 8.270 nan 0.000 0.457 3921 I N 0.836 121.418 120.570 0.020 0.000 2.331 3921 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 3921 I C 0.266 176.393 176.117 0.017 0.000 0.998 3921 I CA 0.024 61.337 61.300 0.021 0.000 1.267 3921 I CB 1.517 39.534 38.000 0.028 0.000 1.386 3921 I HN -0.117 nan 8.210 nan 0.000 0.476 3922 D N 3.375 123.784 120.400 0.016 0.000 2.539 3922 D HA 0.110 4.750 4.640 -0.001 0.000 0.232 3922 D C -0.799 175.513 176.300 0.019 0.000 1.256 3922 D CA 0.238 54.245 54.000 0.011 0.000 0.810 3922 D CB 0.514 41.315 40.800 0.002 0.000 1.090 3922 D HN 0.432 nan 8.370 nan 0.000 0.519 3923 D N 0.037 120.450 120.400 0.023 0.000 2.861 3923 D HA 0.199 4.839 4.640 -0.001 0.000 0.216 3923 D C -1.363 174.951 176.300 0.024 0.000 1.323 3923 D CA -0.403 53.611 54.000 0.024 0.000 0.917 3923 D CB 1.902 42.713 40.800 0.018 0.000 1.582 3923 D HN -0.263 nan 8.370 nan 0.000 0.576 3924 V N 5.177 125.108 119.914 0.028 0.000 2.347 3924 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 3924 V C 0.409 176.509 176.094 0.010 0.000 1.021 3924 V CA -0.551 61.761 62.300 0.021 0.000 0.847 3924 V CB 1.276 33.116 31.823 0.028 0.000 0.990 3924 V HN 0.477 nan 8.190 nan 0.000 0.444 3925 I N 4.913 125.485 120.570 0.003 0.000 2.371 3925 I HA 0.646 4.815 4.170 -0.001 0.000 0.282 3925 I C 0.396 176.508 176.117 -0.009 0.000 1.031 3925 I CA -0.210 61.089 61.300 -0.001 0.000 1.180 3925 I CB 1.294 39.294 38.000 0.001 0.000 1.336 3925 I HN 0.657 nan 8.210 nan 0.000 0.467 3926 A N 4.867 127.679 122.820 -0.015 0.000 2.337 3926 A HA 0.890 5.209 4.320 -0.001 0.000 0.329 3926 A C 0.107 177.680 177.584 -0.017 0.000 1.146 3926 A CA -0.499 51.524 52.037 -0.023 0.000 0.800 3926 A CB 1.204 20.180 19.000 -0.039 0.000 1.220 3926 A HN 0.718 nan 8.150 nan 0.000 0.472 3927 A N 1.768 124.579 122.820 -0.016 0.000 2.313 3927 A HA 0.547 4.867 4.320 -0.001 0.000 0.261 3927 A C 0.413 177.989 177.584 -0.014 0.000 1.090 3927 A CA -0.270 51.760 52.037 -0.013 0.000 0.807 3927 A CB -0.175 18.819 19.000 -0.010 0.000 1.055 3927 A HN 0.893 nan 8.150 nan 0.000 0.492 3928 E N 0.000 120.193 120.200 -0.011 0.000 2.725 3928 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 3928 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 3928 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 3928 E HN 0.000 nan 8.360 nan 0.000 0.440