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 3izh_1_F DATA FIRST_RESID 2566 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 CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI TNIKDLSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 2566 V HA 0.000 nan 4.120 nan 0.000 0.244 2566 V C 0.000 176.088 176.094 -0.010 0.000 1.182 2566 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 2566 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 2567 L N 2.511 123.726 121.223 -0.013 0.000 2.325 2567 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 2567 L C -2.188 174.674 176.870 -0.014 0.000 1.054 2567 L CA -1.543 53.288 54.840 -0.013 0.000 0.804 2567 L CB 0.865 42.913 42.059 -0.017 0.000 1.200 2567 L HN 0.163 nan 8.230 nan 0.000 0.436 2568 P HA -0.009 nan 4.420 nan 0.000 0.264 2568 P C -0.445 176.847 177.300 -0.014 0.000 1.193 2568 P CA -0.143 62.951 63.100 -0.011 0.000 0.763 2568 P CB 0.401 32.096 31.700 -0.009 0.000 0.810 2569 E N 3.251 123.443 120.200 -0.014 0.000 2.452 2569 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 2569 E C 0.844 177.436 176.600 -0.015 0.000 0.987 2569 E CA 0.389 56.779 56.400 -0.016 0.000 0.926 2569 E CB 0.010 29.702 29.700 -0.014 0.000 0.934 2569 E HN 0.618 nan 8.360 nan 0.000 0.452 2570 N N 2.456 121.145 118.700 -0.018 0.000 2.990 2570 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 2570 N C -0.614 174.885 175.510 -0.018 0.000 1.452 2570 N CA 0.223 53.263 53.050 -0.016 0.000 1.624 2570 N CB -0.630 37.850 38.487 -0.011 0.000 1.088 2570 N HN 0.388 nan 8.380 nan 0.000 0.695 2571 M N 2.059 121.646 119.600 -0.020 0.000 2.228 2571 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 2571 M C 0.301 176.578 176.300 -0.037 0.000 1.233 2571 M CA 0.553 55.840 55.300 -0.021 0.000 1.129 2571 M CB 0.842 33.431 32.600 -0.018 0.000 1.604 2571 M HN 0.162 nan 8.290 nan 0.000 0.457 2572 K N 2.269 122.649 120.400 -0.034 0.000 2.316 2572 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 2572 K C -1.212 175.344 176.600 -0.073 0.000 0.934 2572 K CA -0.573 55.667 56.287 -0.077 0.000 0.802 2572 K CB 1.963 34.441 32.500 -0.038 0.000 1.171 2572 K HN 0.676 nan 8.250 nan 0.000 0.426 2573 R N 3.086 123.459 120.500 -0.212 0.000 2.621 2573 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 2573 R C -1.521 174.569 176.300 -0.350 0.000 0.998 2573 R CA -0.599 55.420 56.100 -0.136 0.000 0.895 2573 R CB 0.894 31.152 30.300 -0.070 0.000 1.195 2573 R HN 0.626 nan 8.270 nan 0.000 0.450 2574 Y N 4.206 124.510 120.300 0.007 0.000 2.462 2574 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 2574 Y C 0.274 176.181 175.900 0.011 0.000 0.976 2574 Y CA -0.949 57.158 58.100 0.013 0.000 1.044 2574 Y CB 2.228 40.703 38.460 0.026 0.000 1.230 2574 Y HN 0.426 nan 8.280 nan 0.000 0.455 2575 M N 0.861 120.545 119.600 0.141 0.000 2.618 2575 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 2575 M C 0.180 176.519 176.300 0.066 0.000 1.267 2575 M CA -0.144 55.204 55.300 0.080 0.000 0.845 2575 M CB 1.350 33.974 32.600 0.040 0.000 1.732 2575 M HN 0.877 nan 8.290 nan 0.000 0.461 2576 G N 2.282 111.108 108.800 0.043 0.000 2.574 2576 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 2576 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 2576 G C 0.507 175.425 174.900 0.030 0.000 1.212 2576 G CA 1.067 46.183 45.100 0.027 0.000 0.979 2576 G HN 1.179 nan 8.290 nan 0.000 0.557 2577 R N 0.437 120.952 120.500 0.024 0.000 2.189 2577 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 2577 R C 2.068 178.388 176.300 0.034 0.000 1.092 2577 R CA 1.947 58.059 56.100 0.020 0.000 0.989 2577 R CB -0.373 29.934 30.300 0.012 0.000 0.876 2577 R HN 0.596 nan 8.270 nan 0.000 0.457 2578 D N 0.259 120.696 120.400 0.061 0.000 2.123 2578 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 2578 D C 1.706 178.058 176.300 0.088 0.000 0.976 2578 D CA 1.404 55.463 54.000 0.099 0.000 0.831 2578 D CB -0.126 40.778 40.800 0.175 0.000 0.974 2578 D HN 0.361 nan 8.370 nan 0.000 0.469 2579 A N 0.958 123.839 122.820 0.102 0.000 1.933 2579 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 2579 A C 2.152 179.746 177.584 0.017 0.000 1.175 2579 A CA 1.323 53.405 52.037 0.075 0.000 0.628 2579 A CB -0.517 18.536 19.000 0.089 0.000 0.814 2579 A HN 0.195 nan 8.150 nan 0.000 0.444 2580 Q N -1.110 118.700 119.800 0.016 0.000 2.046 2580 Q HA -0.145 4.194 4.340 -0.000 0.000 0.200 2580 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 2580 Q CA 1.441 57.245 55.803 0.001 0.000 0.836 2580 Q CB -0.197 28.542 28.738 0.002 0.000 0.896 2580 Q HN 0.690 nan 8.270 nan 0.000 0.428 2581 R N 0.688 121.180 120.500 -0.013 0.000 2.083 2581 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 2581 R C 2.292 178.558 176.300 -0.056 0.000 1.137 2581 R CA 1.676 57.761 56.100 -0.025 0.000 0.951 2581 R CB -0.214 30.079 30.300 -0.012 0.000 0.851 2581 R HN 0.293 nan 8.270 nan 0.000 0.434 2582 M N 0.472 120.023 119.600 -0.082 0.000 2.086 2582 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 2582 M C 1.866 178.087 176.300 -0.132 0.000 1.067 2582 M CA 2.335 57.547 55.300 -0.146 0.000 1.116 2582 M CB -0.330 32.122 32.600 -0.248 0.000 1.348 2582 M HN 0.160 nan 8.290 nan 0.000 0.407 2583 N N 0.535 119.186 118.700 -0.082 0.000 2.069 2583 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 2583 N C 1.466 176.944 175.510 -0.054 0.000 1.031 2583 N CA 2.059 55.076 53.050 -0.055 0.000 0.852 2583 N CB -0.354 38.121 38.487 -0.021 0.000 1.018 2583 N HN 0.494 nan 8.380 nan 0.000 0.423 2584 I N -0.411 120.133 120.570 -0.044 0.000 2.179 2584 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 2584 I C 1.704 177.791 176.117 -0.050 0.000 1.088 2584 I CA 0.585 61.864 61.300 -0.034 0.000 1.357 2584 I CB -0.200 37.787 38.000 -0.023 0.000 1.051 2584 I HN 0.194 nan 8.210 nan 0.000 0.409 2585 L N 0.691 121.874 121.223 -0.068 0.000 2.046 2585 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 2585 L C 2.679 179.490 176.870 -0.098 0.000 1.077 2585 L CA 2.126 56.920 54.840 -0.077 0.000 0.747 2585 L CB -1.270 40.737 42.059 -0.087 0.000 0.896 2585 L HN 0.201 nan 8.230 nan 0.000 0.432 2586 A N -0.622 122.116 122.820 -0.137 0.000 1.877 2586 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 2586 A C 2.428 179.957 177.584 -0.092 0.000 1.186 2586 A CA 1.745 53.687 52.037 -0.158 0.000 0.620 2586 A CB -1.386 17.477 19.000 -0.229 0.000 0.822 2586 A HN 0.438 nan 8.150 nan 0.000 0.443 2587 G N -0.396 108.364 108.800 -0.066 0.000 2.418 2587 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 2587 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 2587 G C 1.702 176.580 174.900 -0.036 0.000 1.158 2587 G CA 1.376 46.452 45.100 -0.040 0.000 0.771 2587 G HN 0.552 nan 8.290 nan 0.000 0.545 2588 R N 0.766 121.243 120.500 -0.039 0.000 2.073 2588 R HA 0.039 4.379 4.340 -0.000 0.000 0.234 2588 R C 2.468 178.748 176.300 -0.034 0.000 1.134 2588 R CA 1.361 57.442 56.100 -0.033 0.000 0.952 2588 R CB -0.790 29.491 30.300 -0.032 0.000 0.850 2588 R HN 0.433 nan 8.270 nan 0.000 0.433 2589 I N 0.209 120.753 120.570 -0.044 0.000 2.226 2589 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 2589 I C 1.834 177.931 176.117 -0.034 0.000 1.100 2589 I CA 0.827 62.102 61.300 -0.041 0.000 1.374 2589 I CB -0.282 37.686 38.000 -0.052 0.000 1.057 2589 I HN 0.160 nan 8.210 nan 0.000 0.413 2590 I N 1.096 121.645 120.570 -0.035 0.000 2.226 2590 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 2590 I C 2.848 178.953 176.117 -0.021 0.000 1.100 2590 I CA 1.706 62.991 61.300 -0.025 0.000 1.374 2590 I CB -1.477 36.509 38.000 -0.023 0.000 1.057 2590 I HN 0.189 nan 8.210 nan 0.000 0.413 2591 A N 0.318 123.124 122.820 -0.022 0.000 1.933 2591 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 2591 A C 2.151 179.723 177.584 -0.020 0.000 1.175 2591 A CA 1.311 53.335 52.037 -0.020 0.000 0.628 2591 A CB -0.407 18.581 19.000 -0.021 0.000 0.814 2591 A HN 0.373 nan 8.150 nan 0.000 0.444 2592 E N -0.466 119.722 120.200 -0.021 0.000 2.150 2592 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 2592 E C 1.999 178.589 176.600 -0.017 0.000 0.985 2592 E CA 1.522 57.910 56.400 -0.020 0.000 0.814 2592 E CB -0.590 29.098 29.700 -0.021 0.000 0.752 2592 E HN 0.591 nan 8.360 nan 0.000 0.466 2593 T N 0.932 115.476 114.554 -0.017 0.000 2.857 2593 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 2593 T C 2.099 176.792 174.700 -0.011 0.000 1.048 2593 T CA 1.488 63.580 62.100 -0.013 0.000 1.139 2593 T CB 0.007 68.867 68.868 -0.013 0.000 0.874 2593 T HN 0.201 nan 8.240 nan 0.000 0.455 2594 V N 0.130 120.037 119.914 -0.012 0.000 2.992 2594 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 2594 V C 2.266 178.353 176.094 -0.012 0.000 1.090 2594 V CA 0.735 63.029 62.300 -0.011 0.000 1.101 2594 V CB -0.692 31.125 31.823 -0.010 0.000 0.743 2594 V HN 0.223 nan 8.190 nan 0.000 0.468 2595 R N 2.251 122.742 120.500 -0.015 0.000 2.211 2595 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 2595 R C 2.175 178.466 176.300 -0.014 0.000 1.144 2595 R CA 1.874 57.964 56.100 -0.017 0.000 0.992 2595 R CB -0.449 29.839 30.300 -0.020 0.000 0.869 2595 R HN 0.794 nan 8.270 nan 0.000 0.462 2596 S N -1.662 114.031 115.700 -0.012 0.000 2.595 2596 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 2596 S C 1.285 175.881 174.600 -0.006 0.000 0.974 2596 S CA 1.168 59.363 58.200 -0.009 0.000 0.942 2596 S CB 0.331 63.526 63.200 -0.007 0.000 0.766 2596 S HN 0.272 nan 8.310 nan 0.000 0.536 2597 T N 1.222 115.772 114.554 -0.007 0.000 3.015 2597 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 2597 T C 0.275 174.972 174.700 -0.006 0.000 1.057 2597 T CA -0.422 61.675 62.100 -0.004 0.000 1.066 2597 T CB -0.150 68.716 68.868 -0.003 0.000 0.959 2597 T HN 0.291 nan 8.240 nan 0.000 0.488 2598 L N 2.499 123.716 121.223 -0.010 0.000 2.499 2598 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 2598 L C 0.721 177.583 176.870 -0.014 0.000 1.195 2598 L CA 1.253 56.085 54.840 -0.014 0.000 0.882 2598 L CB -0.770 41.277 42.059 -0.019 0.000 1.133 2598 L HN 0.441 nan 8.230 nan 0.000 0.483 2599 G N 3.865 112.657 108.800 -0.014 0.000 2.663 2599 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 2599 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 2599 G C -1.999 172.896 174.900 -0.007 0.000 1.288 2599 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 2599 G HN 0.502 nan 8.290 nan 0.000 0.584 2600 P HA -0.002 nan 4.420 nan 0.000 0.218 2600 P C 1.396 178.707 177.300 0.017 0.000 1.148 2600 P CA 1.269 64.372 63.100 0.005 0.000 0.822 2600 P CB 0.134 31.831 31.700 -0.004 0.000 0.784 2601 K N -0.503 119.904 120.400 0.010 0.000 2.446 2601 K HA 0.257 4.577 4.320 -0.000 0.000 0.203 2601 K C 0.967 177.573 176.600 0.011 0.000 1.027 2601 K CA -0.047 56.251 56.287 0.018 0.000 1.166 2601 K CB -0.149 32.360 32.500 0.016 0.000 0.869 2601 K HN 0.063 nan 8.250 nan 0.000 0.504 2602 G N 1.854 110.658 108.800 0.007 0.000 2.442 2602 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 2602 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 2602 G C 0.310 175.214 174.900 0.007 0.000 1.263 2602 G CA -0.422 44.680 45.100 0.003 0.000 0.846 2602 G HN 0.197 nan 8.290 nan 0.000 0.555 2603 M N 0.701 120.304 119.600 0.005 0.000 2.792 2603 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 2603 M C -0.818 175.485 176.300 0.005 0.000 1.215 2603 M CA -1.041 54.264 55.300 0.007 0.000 0.883 2603 M CB 1.826 34.430 32.600 0.006 0.000 1.620 2603 M HN 0.459 nan 8.290 nan 0.000 0.511 2604 D N -0.679 119.725 120.400 0.005 0.000 2.340 2604 D HA 0.577 5.217 4.640 -0.000 0.000 0.243 2604 D C -1.436 174.866 176.300 0.002 0.000 0.988 2604 D CA -0.784 53.218 54.000 0.004 0.000 0.959 2604 D CB 1.404 42.207 40.800 0.005 0.000 1.226 2604 D HN 0.640 nan 8.370 nan 0.000 0.509 2605 K N -0.110 120.290 120.400 0.001 0.000 2.267 2605 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 2605 K C -0.918 175.682 176.600 0.000 0.000 0.954 2605 K CA -1.040 55.247 56.287 0.000 0.000 0.824 2605 K CB 2.327 34.826 32.500 -0.001 0.000 1.167 2605 K HN 0.483 nan 8.250 nan 0.000 0.431 2606 M N 3.584 123.184 119.600 -0.000 0.000 2.078 2606 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 2606 M C -1.858 174.442 176.300 -0.001 0.000 0.969 2606 M CA -0.966 54.333 55.300 -0.001 0.000 0.929 2606 M CB 0.652 33.252 32.600 -0.001 0.000 1.504 2606 M HN 0.382 nan 8.290 nan 0.000 0.419 2607 L N 5.939 127.162 121.223 -0.001 0.000 2.298 2607 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 2607 L C -0.943 175.927 176.870 -0.001 0.000 1.013 2607 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 2607 L CB 1.960 44.019 42.059 -0.000 0.000 1.221 2607 L HN 0.439 nan 8.230 nan 0.000 0.418 2608 V N 3.168 123.082 119.914 -0.000 0.000 2.326 2608 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 2608 V C -0.268 175.826 176.094 0.000 0.000 1.015 2608 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 2608 V CB 1.197 33.020 31.823 -0.001 0.000 1.009 2608 V HN 0.796 nan 8.190 nan 0.000 0.436 2609 D N 3.488 123.888 120.400 0.000 0.000 2.369 2609 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 2609 D C 1.132 177.432 176.300 0.001 0.000 1.271 2609 D CA -0.197 53.803 54.000 0.001 0.000 0.942 2609 D CB 0.609 41.410 40.800 0.001 0.000 1.129 2609 D HN 0.589 nan 8.370 nan 0.000 0.476 2610 D N -0.397 120.004 120.400 0.001 0.000 2.351 2610 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 2610 D C 1.612 177.912 176.300 0.001 0.000 0.968 2610 D CA 0.620 54.621 54.000 0.001 0.000 0.899 2610 D CB -0.138 40.664 40.800 0.002 0.000 0.907 2610 D HN 0.419 nan 8.370 nan 0.000 0.514 2611 L N -0.983 120.240 121.223 0.001 0.000 2.463 2611 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 2611 L C 1.981 178.851 176.870 -0.000 0.000 1.088 2611 L CA 0.611 55.451 54.840 0.000 0.000 0.849 2611 L CB 0.229 42.288 42.059 0.000 0.000 1.012 2611 L HN 0.324 nan 8.230 nan 0.000 0.468 2612 G N -0.581 108.219 108.800 -0.000 0.000 2.278 2612 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.210 2612 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.210 2612 G C 0.123 175.023 174.900 -0.001 0.000 1.000 2612 G CA -0.066 45.033 45.100 -0.001 0.000 0.635 2612 G HN 0.289 nan 8.290 nan 0.000 0.495 2613 D N 1.025 121.424 120.400 -0.001 0.000 2.472 2613 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 2613 D C 0.351 176.650 176.300 -0.002 0.000 1.141 2613 D CA 0.510 54.509 54.000 -0.001 0.000 0.875 2613 D CB 1.198 41.997 40.800 -0.001 0.000 1.192 2613 D HN 0.383 nan 8.370 nan 0.000 0.450 2614 V N 4.221 124.134 119.914 -0.002 0.000 2.540 2614 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 2614 V C -0.174 175.918 176.094 -0.003 0.000 1.035 2614 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 2614 V CB 1.812 33.633 31.823 -0.003 0.000 0.992 2614 V HN 0.402 nan 8.190 nan 0.000 0.428 2615 V N 6.289 126.202 119.914 -0.002 0.000 2.487 2615 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 2615 V C -0.877 175.216 176.094 -0.002 0.000 1.028 2615 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 2615 V CB 2.106 33.929 31.823 -0.001 0.000 0.991 2615 V HN 0.644 nan 8.190 nan 0.000 0.427 2616 V N 6.332 126.244 119.914 -0.002 0.000 2.376 2616 V HA 0.707 4.827 4.120 -0.000 0.000 0.287 2616 V C 0.057 176.151 176.094 -0.000 0.000 1.015 2616 V CA -0.011 62.288 62.300 -0.001 0.000 0.834 2616 V CB 1.364 33.186 31.823 -0.002 0.000 1.001 2616 V HN 1.027 nan 8.190 nan 0.000 0.428 2617 T N 2.549 117.103 114.554 0.001 0.000 2.787 2617 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 2617 T C 0.246 174.947 174.700 0.002 0.000 1.221 2617 T CA -0.175 61.925 62.100 0.001 0.000 1.006 2617 T CB 1.943 70.811 68.868 0.001 0.000 1.328 2617 T HN 0.654 nan 8.240 nan 0.000 0.509 2618 N N 0.539 119.240 118.700 0.002 0.000 2.273 2618 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 2618 N C -0.105 175.406 175.510 0.000 0.000 1.132 2618 N CA -0.147 52.904 53.050 0.002 0.000 0.887 2618 N CB -0.165 38.324 38.487 0.003 0.000 1.048 2618 N HN 0.603 nan 8.380 nan 0.000 0.490 2619 D N 0.442 120.842 120.400 0.001 0.000 2.450 2619 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 2619 D C 1.463 177.763 176.300 -0.001 0.000 1.162 2619 D CA 0.303 54.303 54.000 0.000 0.000 0.879 2619 D CB 1.057 41.858 40.800 0.001 0.000 1.163 2619 D HN 0.244 nan 8.370 nan 0.000 0.472 2620 G N 2.486 111.285 108.800 -0.001 0.000 2.421 2620 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 2620 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 2620 G C 1.555 176.455 174.900 -0.001 0.000 1.171 2620 G CA 0.728 45.827 45.100 -0.002 0.000 0.775 2620 G HN 0.491 nan 8.290 nan 0.000 0.543 2621 V N 0.965 120.880 119.914 0.000 0.000 2.287 2621 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 2621 V C 3.149 179.244 176.094 0.002 0.000 1.053 2621 V CA 2.417 64.718 62.300 0.001 0.000 1.027 2621 V CB -1.045 30.779 31.823 0.002 0.000 0.646 2621 V HN 0.384 nan 8.190 nan 0.000 0.447 2622 T N 0.235 114.790 114.554 0.001 0.000 2.708 2622 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 2622 T C 1.834 176.534 174.700 0.001 0.000 1.037 2622 T CA 1.882 63.983 62.100 0.001 0.000 1.146 2622 T CB -0.313 68.555 68.868 0.001 0.000 0.865 2622 T HN 0.338 nan 8.240 nan 0.000 0.435 2623 I N 0.463 121.033 120.570 0.000 0.000 2.163 2623 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 2623 I C 2.069 178.186 176.117 0.000 0.000 1.085 2623 I CA 1.082 62.382 61.300 -0.000 0.000 1.347 2623 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 2623 I HN 0.168 nan 8.210 nan 0.000 0.408 2624 L N 0.020 121.244 121.223 0.001 0.000 2.179 2624 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 2624 L C 2.476 179.348 176.870 0.004 0.000 1.096 2624 L CA 1.413 56.254 54.840 0.002 0.000 0.779 2624 L CB -0.924 41.136 42.059 0.001 0.000 0.922 2624 L HN 0.146 nan 8.230 nan 0.000 0.443 2625 R N -0.001 120.501 120.500 0.003 0.000 2.075 2625 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 2625 R C 1.909 178.212 176.300 0.004 0.000 1.126 2625 R CA 1.263 57.365 56.100 0.004 0.000 0.963 2625 R CB 0.036 30.338 30.300 0.003 0.000 0.858 2625 R HN 0.326 nan 8.270 nan 0.000 0.435 2626 E N 0.580 120.782 120.200 0.003 0.000 2.072 2626 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 2626 E C 1.171 177.773 176.600 0.003 0.000 0.982 2626 E CA 0.291 56.693 56.400 0.003 0.000 0.803 2626 E CB -0.281 29.420 29.700 0.002 0.000 0.755 2626 E HN 0.301 nan 8.360 nan 0.000 0.453 2627 M N 0.862 120.464 119.600 0.003 0.000 2.252 2627 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 2627 M C 0.144 176.448 176.300 0.007 0.000 1.070 2627 M CA 0.487 55.790 55.300 0.004 0.000 1.143 2627 M CB 0.578 33.181 32.600 0.004 0.000 1.498 2627 M HN -0.188 nan 8.290 nan 0.000 0.445 2628 S N 4.010 119.715 115.700 0.008 0.000 2.512 2628 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 2628 S C -0.803 173.806 174.600 0.014 0.000 1.151 2628 S CA -0.852 57.353 58.200 0.010 0.000 1.120 2628 S CB 0.002 63.207 63.200 0.008 0.000 1.029 2628 S HN 0.531 nan 8.310 nan 0.000 0.485 2629 V N 4.970 124.895 119.914 0.017 0.000 2.732 2629 V HA 0.328 4.447 4.120 -0.000 0.000 0.297 2629 V C 1.013 177.127 176.094 0.032 0.000 1.060 2629 V CA -0.118 62.199 62.300 0.027 0.000 1.038 2629 V CB 1.488 33.330 31.823 0.030 0.000 1.003 2629 V HN 0.800 nan 8.190 nan 0.000 0.481 2630 E N 0.658 120.886 120.200 0.047 0.000 2.288 2630 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 2630 E C 0.678 177.308 176.600 0.050 0.000 0.880 2630 E CA -0.038 56.387 56.400 0.041 0.000 0.971 2630 E CB 0.011 29.734 29.700 0.038 0.000 0.954 2630 E HN 0.693 nan 8.360 nan 0.000 0.489 2631 H N 2.800 121.867 119.070 -0.005 0.000 2.886 2631 H HA 0.018 4.574 4.556 0.000 0.000 0.329 2631 H C -1.721 173.601 175.328 -0.010 0.000 1.044 2631 H CA -1.191 54.851 56.048 -0.011 0.000 1.456 2631 H CB 1.503 31.250 29.762 -0.026 0.000 1.464 2631 H HN -0.172 nan 8.280 nan 0.000 0.573 2632 P HA -0.126 nan 4.420 nan 0.000 0.215 2632 P C 1.125 178.488 177.300 0.105 0.000 1.153 2632 P CA 1.983 65.073 63.100 -0.016 0.000 0.853 2632 P CB 0.099 31.745 31.700 -0.089 0.000 0.788 2633 A N -0.118 122.874 122.820 0.287 0.000 1.933 2633 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 2633 A C 2.298 179.949 177.584 0.111 0.000 1.175 2633 A CA 2.033 54.191 52.037 0.201 0.000 0.628 2633 A CB -1.538 17.576 19.000 0.191 0.000 0.814 2633 A HN 0.201 nan 8.150 nan 0.000 0.444 2634 A N -0.186 122.717 122.820 0.139 0.000 1.929 2634 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 2634 A C 2.068 179.679 177.584 0.046 0.000 1.176 2634 A CA 1.588 53.654 52.037 0.048 0.000 0.628 2634 A CB -0.373 18.650 19.000 0.038 0.000 0.816 2634 A HN 0.521 nan 8.150 nan 0.000 0.444 2635 K N -1.004 119.433 120.400 0.061 0.000 2.147 2635 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 2635 K C 2.032 178.650 176.600 0.030 0.000 1.049 2635 K CA 1.575 57.885 56.287 0.038 0.000 0.936 2635 K CB -0.236 32.284 32.500 0.033 0.000 0.722 2635 K HN 0.600 nan 8.250 nan 0.000 0.446 2636 M N 0.706 120.327 119.600 0.036 0.000 2.254 2636 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 2636 M C 1.915 178.227 176.300 0.020 0.000 1.066 2636 M CA 0.989 56.305 55.300 0.027 0.000 1.123 2636 M CB 0.119 32.737 32.600 0.031 0.000 1.388 2636 M HN 0.112 nan 8.290 nan 0.000 0.425 2637 L N 0.780 122.014 121.223 0.018 0.000 2.156 2637 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 2637 L C 1.921 178.797 176.870 0.009 0.000 1.095 2637 L CA 1.370 56.216 54.840 0.010 0.000 0.770 2637 L CB -0.603 41.458 42.059 0.002 0.000 0.914 2637 L HN 0.275 nan 8.230 nan 0.000 0.439 2638 I N -0.076 120.501 120.570 0.011 0.000 2.315 2638 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 2638 I C 2.358 178.480 176.117 0.009 0.000 1.125 2638 I CA 1.108 62.414 61.300 0.010 0.000 1.392 2638 I CB -1.286 36.721 38.000 0.012 0.000 1.065 2638 I HN 0.387 nan 8.210 nan 0.000 0.424 2639 E N 0.650 120.856 120.200 0.011 0.000 2.150 2639 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 2639 E C 2.486 179.092 176.600 0.010 0.000 0.985 2639 E CA 0.793 57.200 56.400 0.011 0.000 0.814 2639 E CB -0.226 29.481 29.700 0.012 0.000 0.752 2639 E HN 0.342 nan 8.360 nan 0.000 0.466 2640 V N 1.754 121.674 119.914 0.010 0.000 2.287 2640 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 2640 V C 2.505 178.604 176.094 0.008 0.000 1.053 2640 V CA 1.947 64.253 62.300 0.010 0.000 1.027 2640 V CB -0.939 30.890 31.823 0.010 0.000 0.646 2640 V HN 0.251 nan 8.190 nan 0.000 0.447 2641 A N -0.353 122.471 122.820 0.006 0.000 1.902 2641 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 2641 A C 2.304 179.891 177.584 0.005 0.000 1.181 2641 A CA 2.030 54.070 52.037 0.005 0.000 0.623 2641 A CB -0.443 18.559 19.000 0.003 0.000 0.818 2641 A HN 0.557 nan 8.150 nan 0.000 0.443 2642 K N -1.019 119.384 120.400 0.006 0.000 2.097 2642 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 2642 K C 2.024 178.628 176.600 0.007 0.000 1.050 2642 K CA 1.672 57.963 56.287 0.006 0.000 0.938 2642 K CB -0.335 32.169 32.500 0.006 0.000 0.718 2642 K HN 0.462 nan 8.250 nan 0.000 0.442 2643 T N 0.975 115.533 114.554 0.008 0.000 2.904 2643 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 2643 T C 1.802 176.507 174.700 0.008 0.000 1.059 2643 T CA 1.129 63.234 62.100 0.009 0.000 1.137 2643 T CB -0.080 68.794 68.868 0.010 0.000 0.879 2643 T HN 0.153 nan 8.240 nan 0.000 0.467 2644 Q N 1.182 120.987 119.800 0.008 0.000 2.084 2644 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 2644 Q C 2.291 178.294 176.000 0.006 0.000 0.978 2644 Q CA 1.425 57.232 55.803 0.007 0.000 0.844 2644 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 2644 Q HN 0.362 nan 8.270 nan 0.000 0.426 2645 E N 0.180 120.383 120.200 0.005 0.000 2.047 2645 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 2645 E C 1.715 178.318 176.600 0.005 0.000 0.987 2645 E CA 1.134 57.536 56.400 0.004 0.000 0.799 2645 E CB 0.079 29.781 29.700 0.004 0.000 0.752 2645 E HN 0.368 nan 8.360 nan 0.000 0.449 2646 K N 0.209 120.612 120.400 0.005 0.000 2.057 2646 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 2646 K C 2.110 178.714 176.600 0.006 0.000 1.049 2646 K CA 1.090 57.380 56.287 0.005 0.000 0.931 2646 K CB 0.052 32.555 32.500 0.006 0.000 0.714 2646 K HN 0.028 nan 8.250 nan 0.000 0.440 2647 E N 0.088 120.292 120.200 0.007 0.000 2.051 2647 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 2647 E C 2.041 178.645 176.600 0.007 0.000 0.979 2647 E CA 1.148 57.552 56.400 0.007 0.000 0.803 2647 E CB 0.204 29.910 29.700 0.009 0.000 0.761 2647 E HN 0.073 nan 8.360 nan 0.000 0.451 2648 V N -1.506 118.412 119.914 0.007 0.000 3.484 2648 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 2648 V C 1.474 177.571 176.094 0.005 0.000 1.282 2648 V CA 0.734 63.037 62.300 0.006 0.000 1.104 2648 V CB 0.718 32.545 31.823 0.007 0.000 0.868 2648 V HN 0.411 nan 8.190 nan 0.000 0.457 2649 G N 0.718 109.521 108.800 0.004 0.000 5.064 2649 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.277 2649 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.277 2649 G C 0.041 174.943 174.900 0.003 0.000 1.580 2649 G CA 0.339 45.441 45.100 0.003 0.000 1.109 2649 G HN 0.463 nan 8.290 nan 0.000 0.695 2650 D N 1.635 122.037 120.400 0.002 0.000 2.383 2650 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 2650 D C 1.418 177.718 176.300 0.000 0.000 1.170 2650 D CA 1.461 55.461 54.000 0.001 0.000 0.977 2650 D CB 0.590 41.390 40.800 0.001 0.000 1.120 2650 D HN 1.827 nan 8.370 nan 0.000 0.481 2651 G N 0.086 108.885 108.800 -0.002 0.000 2.141 2651 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 2651 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 2651 G C 1.074 175.972 174.900 -0.004 0.000 0.984 2651 G CA 1.265 46.363 45.100 -0.004 0.000 0.660 2651 G HN 0.653 nan 8.290 nan 0.000 0.525 2652 T N -2.356 112.197 114.554 -0.002 0.000 2.674 2652 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 2652 T C 2.232 176.930 174.700 -0.005 0.000 1.039 2652 T CA 2.662 64.761 62.100 -0.002 0.000 1.150 2652 T CB -0.738 68.130 68.868 -0.001 0.000 0.864 2652 T HN 0.334 nan 8.240 nan 0.000 0.427 2653 T N 1.766 116.316 114.554 -0.007 0.000 2.777 2653 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 2653 T C 2.311 177.003 174.700 -0.014 0.000 1.040 2653 T CA 1.735 63.829 62.100 -0.010 0.000 1.141 2653 T CB -0.962 67.901 68.868 -0.010 0.000 0.868 2653 T HN 0.526 nan 8.240 nan 0.000 0.444 2654 T N 2.291 116.836 114.554 -0.015 0.000 2.652 2654 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 2654 T C 2.418 177.105 174.700 -0.022 0.000 1.039 2654 T CA 1.325 63.412 62.100 -0.022 0.000 1.153 2654 T CB -0.632 68.223 68.868 -0.021 0.000 0.863 2654 T HN 0.435 nan 8.240 nan 0.000 0.428 2655 A N 0.775 123.587 122.820 -0.014 0.000 1.933 2655 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 2655 A C 2.605 180.184 177.584 -0.008 0.000 1.175 2655 A CA 1.320 53.352 52.037 -0.009 0.000 0.628 2655 A CB -0.957 18.043 19.000 -0.000 0.000 0.814 2655 A HN 0.360 nan 8.150 nan 0.000 0.444 2656 V N -0.569 119.340 119.914 -0.009 0.000 2.307 2656 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 2656 V C 2.578 178.663 176.094 -0.015 0.000 1.045 2656 V CA 1.925 64.219 62.300 -0.009 0.000 1.024 2656 V CB -0.629 31.189 31.823 -0.009 0.000 0.651 2656 V HN 0.369 nan 8.190 nan 0.000 0.449 2657 V N -0.691 119.211 119.914 -0.020 0.000 2.307 2657 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 2657 V C 2.423 178.496 176.094 -0.034 0.000 1.045 2657 V CA 1.997 64.282 62.300 -0.026 0.000 1.024 2657 V CB -0.271 31.534 31.823 -0.029 0.000 0.651 2657 V HN 0.412 nan 8.190 nan 0.000 0.449 2658 V N 0.112 120.002 119.914 -0.041 0.000 2.358 2658 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 2658 V C 2.595 178.662 176.094 -0.044 0.000 1.047 2658 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 2658 V CB -0.371 31.409 31.823 -0.072 0.000 0.658 2658 V HN 0.520 nan 8.190 nan 0.000 0.452 2659 A N -0.191 122.617 122.820 -0.020 0.000 1.933 2659 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 2659 A C 2.306 179.896 177.584 0.009 0.000 1.175 2659 A CA 1.882 53.922 52.037 0.004 0.000 0.628 2659 A CB -1.219 17.788 19.000 0.011 0.000 0.814 2659 A HN 0.617 nan 8.150 nan 0.000 0.444 2660 G N -0.647 108.150 108.800 -0.005 0.000 2.414 2660 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 2660 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 2660 G C 1.429 176.328 174.900 -0.003 0.000 1.188 2660 G CA 0.853 45.950 45.100 -0.005 0.000 0.783 2660 G HN 0.451 nan 8.290 nan 0.000 0.537 2661 E N 0.393 120.584 120.200 -0.015 0.000 2.106 2661 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 2661 E C 2.694 179.294 176.600 0.000 0.000 0.984 2661 E CA 0.382 56.771 56.400 -0.018 0.000 0.806 2661 E CB -0.249 29.425 29.700 -0.043 0.000 0.750 2661 E HN 0.415 nan 8.360 nan 0.000 0.458 2662 L N 0.134 121.357 121.223 0.001 0.000 2.056 2662 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 2662 L C 2.395 179.355 176.870 0.150 0.000 1.078 2662 L CA 0.531 55.405 54.840 0.057 0.000 0.749 2662 L CB -0.284 41.791 42.059 0.027 0.000 0.901 2662 L HN 0.132 nan 8.230 nan 0.000 0.433 2663 L N -0.373 120.905 121.223 0.090 0.000 2.093 2663 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 2663 L C 2.674 179.575 176.870 0.052 0.000 1.085 2663 L CA 1.537 56.420 54.840 0.073 0.000 0.755 2663 L CB -0.779 41.306 42.059 0.043 0.000 0.904 2663 L HN 0.163 nan 8.230 nan 0.000 0.435 2664 R N -0.360 120.162 120.500 0.037 0.000 2.066 2664 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 2664 R C 2.281 178.602 176.300 0.035 0.000 1.131 2664 R CA 1.567 57.681 56.100 0.023 0.000 0.955 2664 R CB -0.059 30.246 30.300 0.009 0.000 0.851 2664 R HN 0.056 nan 8.270 nan 0.000 0.432 2665 K N 0.367 120.800 120.400 0.055 0.000 2.148 2665 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 2665 K C 1.667 178.324 176.600 0.094 0.000 1.050 2665 K CA 1.505 57.837 56.287 0.075 0.000 0.942 2665 K CB -0.204 32.351 32.500 0.092 0.000 0.724 2665 K HN 0.298 nan 8.250 nan 0.000 0.446 2666 A N 0.704 123.588 122.820 0.108 0.000 1.930 2666 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 2666 A C 2.113 179.704 177.584 0.012 0.000 1.175 2666 A CA 1.518 53.585 52.037 0.051 0.000 0.627 2666 A CB -0.525 18.503 19.000 0.048 0.000 0.815 2666 A HN 0.419 nan 8.150 nan 0.000 0.443 2667 E N 0.140 120.351 120.200 0.019 0.000 2.204 2667 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 2667 E C 1.848 178.451 176.600 0.004 0.000 0.989 2667 E CA 1.216 57.618 56.400 0.005 0.000 0.824 2667 E CB -0.157 29.546 29.700 0.005 0.000 0.756 2667 E HN 0.789 nan 8.360 nan 0.000 0.477 2668 E N 0.132 120.341 120.200 0.014 0.000 2.204 2668 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 2668 E C 2.229 178.835 176.600 0.010 0.000 0.990 2668 E CA 0.603 57.011 56.400 0.013 0.000 0.821 2668 E CB 0.038 29.750 29.700 0.021 0.000 0.750 2668 E HN 0.279 nan 8.360 nan 0.000 0.477 2669 L N 0.251 121.479 121.223 0.008 0.000 2.131 2669 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 2669 L C 2.459 179.323 176.870 -0.010 0.000 1.087 2669 L CA 0.470 55.310 54.840 0.000 0.000 0.767 2669 L CB -0.291 41.761 42.059 -0.010 0.000 0.917 2669 L HN 0.209 nan 8.230 nan 0.000 0.441 2670 L N -0.096 121.117 121.223 -0.017 0.000 2.046 2670 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 2670 L C 2.173 179.030 176.870 -0.022 0.000 1.077 2670 L CA 1.457 56.281 54.840 -0.028 0.000 0.747 2670 L CB -0.511 41.529 42.059 -0.031 0.000 0.896 2670 L HN 0.283 nan 8.230 nan 0.000 0.432 2671 D N -0.802 119.591 120.400 -0.012 0.000 2.219 2671 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 2671 D C 2.129 178.425 176.300 -0.005 0.000 0.970 2671 D CA 0.796 54.791 54.000 -0.008 0.000 0.851 2671 D CB 0.192 40.990 40.800 -0.003 0.000 0.943 2671 D HN 0.142 nan 8.370 nan 0.000 0.488 2672 Q N 0.166 119.964 119.800 -0.003 0.000 2.482 2672 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 2672 Q C 0.007 176.007 176.000 -0.001 0.000 0.961 2672 Q CA 0.296 56.099 55.803 0.000 0.000 0.945 2672 Q CB -0.033 28.708 28.738 0.005 0.000 1.012 2672 Q HN 0.366 nan 8.270 nan 0.000 0.515 2673 N N -0.386 118.309 118.700 -0.008 0.000 2.814 2673 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 2673 N C -1.191 174.319 175.510 -0.000 0.000 1.089 2673 N CA 0.381 53.424 53.050 -0.011 0.000 0.682 2673 N CB -1.697 36.787 38.487 -0.006 0.000 0.970 2673 N HN -0.026 nan 8.380 nan 0.000 0.554 2674 V N 1.724 121.637 119.914 -0.001 0.000 2.328 2674 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 2674 V C 0.914 177.026 176.094 0.029 0.000 1.021 2674 V CA -0.767 61.544 62.300 0.018 0.000 0.838 2674 V CB 1.321 33.149 31.823 0.008 0.000 0.999 2674 V HN 0.331 nan 8.190 nan 0.000 0.447 2675 H N 9.456 128.511 119.070 -0.025 0.000 3.167 2675 H HA 0.001 4.557 4.556 0.000 0.000 0.306 2675 H C -1.410 173.893 175.328 -0.041 0.000 0.965 2675 H CA -1.104 54.928 56.048 -0.027 0.000 1.408 2675 H CB 1.483 31.232 29.762 -0.022 0.000 1.406 2675 H HN 0.373 nan 8.280 nan 0.000 0.576 2676 P HA -0.157 nan 4.420 nan 0.000 0.219 2676 P C 1.511 178.901 177.300 0.149 0.000 1.146 2676 P CA 1.335 64.486 63.100 0.085 0.000 0.808 2676 P CB 0.097 31.802 31.700 0.008 0.000 0.779 2677 T N -0.797 113.963 114.554 0.343 0.000 2.881 2677 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 2677 T C 1.774 176.457 174.700 -0.028 0.000 1.068 2677 T CA 0.839 62.964 62.100 0.041 0.000 1.131 2677 T CB -0.646 68.092 68.868 -0.217 0.000 0.871 2677 T HN -0.007 nan 8.240 nan 0.000 0.479 2678 I N 0.171 120.739 120.570 -0.003 0.000 2.233 2678 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 2678 I C 2.453 178.525 176.117 -0.076 0.000 1.093 2678 I CA 0.718 61.997 61.300 -0.034 0.000 1.380 2678 I CB -0.353 37.643 38.000 -0.007 0.000 1.067 2678 I HN 0.087 nan 8.210 nan 0.000 0.413 2679 V N 0.393 120.241 119.914 -0.109 0.000 2.287 2679 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 2679 V C 2.411 178.259 176.094 -0.410 0.000 1.053 2679 V CA 1.879 64.007 62.300 -0.286 0.000 1.027 2679 V CB -0.530 31.122 31.823 -0.285 0.000 0.646 2679 V HN 0.359 nan 8.190 nan 0.000 0.447 2680 V N -0.305 119.486 119.914 -0.206 0.000 2.427 2680 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 2680 V C 2.580 178.654 176.094 -0.032 0.000 1.051 2680 V CA 2.296 64.538 62.300 -0.098 0.000 1.048 2680 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 2680 V HN 0.507 nan 8.190 nan 0.000 0.456 2681 K N 0.144 120.516 120.400 -0.047 0.000 2.025 2681 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 2681 K C 2.116 178.706 176.600 -0.017 0.000 1.049 2681 K CA 1.691 57.961 56.287 -0.027 0.000 0.933 2681 K CB -0.944 31.533 32.500 -0.038 0.000 0.714 2681 K HN 0.555 nan 8.250 nan 0.000 0.438 2682 G N 0.277 109.062 108.800 -0.025 0.000 2.440 2682 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 2682 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 2682 G C 1.403 176.365 174.900 0.102 0.000 1.154 2682 G CA 0.699 45.813 45.100 0.025 0.000 0.767 2682 G HN 0.253 nan 8.290 nan 0.000 0.552 2683 Y N 0.888 121.161 120.300 -0.046 0.000 2.200 2683 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 2683 Y C 3.113 178.865 175.900 -0.247 0.000 1.137 2683 Y CA 0.731 58.783 58.100 -0.080 0.000 1.163 2683 Y CB -0.782 37.779 38.460 0.168 0.000 0.988 2683 Y HN 0.199 nan 8.280 nan 0.000 0.518 2684 Q N -0.305 119.530 119.800 0.058 0.000 2.030 2684 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 2684 Q C 2.596 178.532 176.000 -0.108 0.000 0.986 2684 Q CA 1.638 57.432 55.803 -0.014 0.000 0.843 2684 Q CB -0.716 28.026 28.738 0.006 0.000 0.904 2684 Q HN 0.451 nan 8.270 nan 0.000 0.420 2685 A N 1.037 123.797 122.820 -0.100 0.000 1.883 2685 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 2685 A C 2.323 179.801 177.584 -0.176 0.000 1.186 2685 A CA 2.163 54.135 52.037 -0.108 0.000 0.624 2685 A CB -0.753 18.206 19.000 -0.068 0.000 0.822 2685 A HN 0.400 nan 8.150 nan 0.000 0.444 2686 A N -0.341 122.292 122.820 -0.312 0.000 1.930 2686 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 2686 A C 2.490 179.708 177.584 -0.610 0.000 1.175 2686 A CA 1.976 53.730 52.037 -0.471 0.000 0.627 2686 A CB -0.953 17.626 19.000 -0.701 0.000 0.815 2686 A HN 1.038 nan 8.150 nan 0.000 0.443 2687 A N -1.085 121.272 122.820 -0.771 0.000 1.877 2687 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 2687 A C 2.211 179.735 177.584 -0.101 0.000 1.186 2687 A CA 1.790 53.634 52.037 -0.322 0.000 0.620 2687 A CB -0.533 18.387 19.000 -0.132 0.000 0.822 2687 A HN 0.506 nan 8.150 nan 0.000 0.443 2688 Q N -0.126 119.612 119.800 -0.104 0.000 2.124 2688 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 2688 Q C 2.005 177.984 176.000 -0.035 0.000 0.977 2688 Q CA 2.108 57.882 55.803 -0.049 0.000 0.850 2688 Q CB -0.172 28.537 28.738 -0.049 0.000 0.901 2688 Q HN 0.539 nan 8.270 nan 0.000 0.429 2689 K N 0.377 120.747 120.400 -0.050 0.000 2.211 2689 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 2689 K C 1.749 178.375 176.600 0.043 0.000 1.050 2689 K CA 1.230 57.514 56.287 -0.005 0.000 0.945 2689 K CB -0.492 32.015 32.500 0.012 0.000 0.732 2689 K HN 0.191 nan 8.250 nan 0.000 0.451 2690 A N 0.584 123.425 122.820 0.034 0.000 1.933 2690 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 2690 A C 2.075 179.696 177.584 0.063 0.000 1.175 2690 A CA 1.626 53.712 52.037 0.081 0.000 0.628 2690 A CB -0.493 18.593 19.000 0.143 0.000 0.814 2690 A HN 0.510 nan 8.150 nan 0.000 0.444 2691 Q N -0.630 119.195 119.800 0.042 0.000 2.119 2691 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 2691 Q C 1.985 178.002 176.000 0.028 0.000 0.972 2691 Q CA 1.554 57.376 55.803 0.032 0.000 0.847 2691 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 2691 Q HN 0.777 nan 8.270 nan 0.000 0.433 2692 E N 0.584 120.800 120.200 0.026 0.000 2.051 2692 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 2692 E C 2.048 178.672 176.600 0.040 0.000 0.991 2692 E CA 0.863 57.279 56.400 0.025 0.000 0.799 2692 E CB -0.075 29.634 29.700 0.015 0.000 0.748 2692 E HN 0.297 nan 8.360 nan 0.000 0.449 2693 L N 0.460 121.720 121.223 0.060 0.000 2.083 2693 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 2693 L C 2.369 179.269 176.870 0.050 0.000 1.083 2693 L CA 0.437 55.320 54.840 0.071 0.000 0.752 2693 L CB -0.281 41.833 42.059 0.091 0.000 0.899 2693 L HN 0.169 nan 8.230 nan 0.000 0.433 2694 L N -0.093 121.155 121.223 0.042 0.000 2.046 2694 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 2694 L C 2.491 179.376 176.870 0.026 0.000 1.077 2694 L CA 1.750 56.608 54.840 0.031 0.000 0.747 2694 L CB -0.668 41.408 42.059 0.028 0.000 0.896 2694 L HN 0.145 nan 8.230 nan 0.000 0.432 2695 K N -1.580 118.835 120.400 0.025 0.000 2.148 2695 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 2695 K C 1.889 178.502 176.600 0.022 0.000 1.050 2695 K CA 1.565 57.864 56.287 0.020 0.000 0.942 2695 K CB -0.194 32.316 32.500 0.017 0.000 0.724 2695 K HN 0.333 nan 8.250 nan 0.000 0.446 2696 T N 1.769 116.340 114.554 0.028 0.000 2.851 2696 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 2696 T C 1.897 176.616 174.700 0.031 0.000 1.043 2696 T CA 1.106 63.224 62.100 0.031 0.000 1.140 2696 T CB -0.091 68.801 68.868 0.041 0.000 0.872 2696 T HN 0.361 nan 8.240 nan 0.000 0.446 2697 I N -0.098 120.493 120.570 0.034 0.000 3.226 2697 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 2697 I C 1.146 177.280 176.117 0.028 0.000 1.243 2697 I CA -0.460 60.861 61.300 0.035 0.000 1.459 2697 I CB -0.525 37.500 38.000 0.042 0.000 1.093 2697 I HN -0.050 nan 8.210 nan 0.000 0.453 2698 A N 1.514 124.348 122.820 0.023 0.000 2.567 2698 A HA 0.075 4.395 4.320 -0.000 0.000 0.240 2698 A C 0.202 177.796 177.584 0.016 0.000 1.053 2698 A CA -0.010 52.038 52.037 0.018 0.000 0.755 2698 A CB -0.246 18.763 19.000 0.015 0.000 0.978 2698 A HN 0.640 nan 8.150 nan 0.000 0.507 2699 C N 4.083 123.392 119.300 0.015 0.000 2.281 2699 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 2699 C C 0.282 175.278 174.990 0.010 0.000 1.217 2699 C CA -0.738 58.288 59.018 0.013 0.000 1.730 2699 C CB -1.484 26.264 27.740 0.013 0.000 2.338 2699 C HN 0.886 nan 8.230 nan 0.000 0.521 2700 E N 3.296 123.501 120.200 0.009 0.000 2.360 2700 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 2700 E C 0.111 176.715 176.600 0.007 0.000 1.022 2700 E CA 0.113 56.517 56.400 0.008 0.000 0.887 2700 E CB 0.913 30.617 29.700 0.007 0.000 0.990 2700 E HN 0.677 nan 8.360 nan 0.000 0.426 2701 V N -0.930 118.988 119.914 0.006 0.000 3.130 2701 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 2701 V C 0.381 176.478 176.094 0.005 0.000 1.158 2701 V CA -1.243 61.060 62.300 0.006 0.000 1.029 2701 V CB 1.804 33.630 31.823 0.006 0.000 1.057 2701 V HN 0.653 nan 8.190 nan 0.000 0.436 2702 G N 0.524 109.327 108.800 0.005 0.000 2.335 2702 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 2702 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 2702 G C 1.012 175.915 174.900 0.005 0.000 1.228 2702 G CA 0.235 45.337 45.100 0.004 0.000 0.968 2702 G HN 1.663 nan 8.290 nan 0.000 0.459 2703 A N 2.760 125.582 122.820 0.004 0.000 1.917 2703 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 2703 A C 1.949 179.536 177.584 0.005 0.000 1.182 2703 A CA 1.516 53.556 52.037 0.004 0.000 0.633 2703 A CB -0.124 18.878 19.000 0.004 0.000 0.819 2703 A HN 0.658 nan 8.150 nan 0.000 0.448 2704 Q N -0.309 119.494 119.800 0.005 0.000 2.201 2704 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 2704 Q C -0.712 175.292 176.000 0.006 0.000 0.857 2704 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 2704 Q CB 0.361 29.102 28.738 0.005 0.000 1.124 2704 Q HN 0.559 nan 8.270 nan 0.000 0.473 2705 D N 1.340 121.743 120.400 0.006 0.000 2.382 2705 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 2705 D C 0.906 177.211 176.300 0.007 0.000 1.224 2705 D CA 0.277 54.280 54.000 0.006 0.000 0.894 2705 D CB 1.170 41.973 40.800 0.006 0.000 1.127 2705 D HN -0.073 nan 8.370 nan 0.000 0.487 2706 K N 3.978 124.383 120.400 0.008 0.000 2.000 2706 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 2706 K C 1.622 178.227 176.600 0.009 0.000 1.053 2706 K CA 2.119 58.411 56.287 0.008 0.000 0.946 2706 K CB -0.314 32.191 32.500 0.008 0.000 0.723 2706 K HN 0.422 nan 8.250 nan 0.000 0.446 2707 E N 0.304 120.509 120.200 0.008 0.000 2.049 2707 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 2707 E C 1.979 178.584 176.600 0.009 0.000 1.007 2707 E CA 2.101 58.506 56.400 0.008 0.000 0.809 2707 E CB -0.377 29.327 29.700 0.007 0.000 0.749 2707 E HN 0.470 nan 8.360 nan 0.000 0.450 2708 I N -0.046 120.529 120.570 0.008 0.000 2.361 2708 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 2708 I C 1.868 177.990 176.117 0.010 0.000 1.133 2708 I CA 0.310 61.615 61.300 0.009 0.000 1.413 2708 I CB -0.165 37.840 38.000 0.008 0.000 1.073 2708 I HN 0.189 nan 8.210 nan 0.000 0.424 2709 L N 0.236 121.465 121.223 0.009 0.000 2.046 2709 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 2709 L C 2.578 179.455 176.870 0.011 0.000 1.077 2709 L CA 1.970 56.816 54.840 0.010 0.000 0.747 2709 L CB -1.271 40.793 42.059 0.010 0.000 0.896 2709 L HN 0.184 nan 8.230 nan 0.000 0.432 2710 T N -1.351 113.209 114.554 0.011 0.000 2.833 2710 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 2710 T C 1.992 176.700 174.700 0.014 0.000 1.054 2710 T CA 1.123 63.230 62.100 0.012 0.000 1.135 2710 T CB -0.026 68.848 68.868 0.011 0.000 0.869 2710 T HN 0.061 nan 8.240 nan 0.000 0.466 2711 K N 0.900 121.308 120.400 0.014 0.000 2.057 2711 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 2711 K C 1.997 178.608 176.600 0.018 0.000 1.050 2711 K CA 0.788 57.085 56.287 0.016 0.000 0.935 2711 K CB -0.463 32.045 32.500 0.014 0.000 0.715 2711 K HN 0.339 nan 8.250 nan 0.000 0.439 2712 I N 0.191 120.770 120.570 0.015 0.000 2.142 2712 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 2712 I C 2.224 178.352 176.117 0.019 0.000 1.078 2712 I CA 1.348 62.658 61.300 0.016 0.000 1.343 2712 I CB -0.439 37.568 38.000 0.013 0.000 1.046 2712 I HN 0.146 nan 8.210 nan 0.000 0.405 2713 A N 0.573 123.403 122.820 0.017 0.000 1.841 2713 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 2713 A C 2.431 180.027 177.584 0.020 0.000 1.199 2713 A CA 2.193 54.240 52.037 0.017 0.000 0.621 2713 A CB -0.849 18.160 19.000 0.014 0.000 0.835 2713 A HN 0.433 nan 8.150 nan 0.000 0.445 2714 M N -0.649 118.962 119.600 0.020 0.000 2.149 2714 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 2714 M C 2.057 178.376 176.300 0.031 0.000 1.064 2714 M CA 2.145 57.458 55.300 0.021 0.000 1.102 2714 M CB -0.353 32.258 32.600 0.019 0.000 1.369 2714 M HN 0.496 nan 8.290 nan 0.000 0.408 2715 T N 0.034 114.610 114.554 0.037 0.000 2.788 2715 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 2715 T C 1.820 176.562 174.700 0.069 0.000 1.044 2715 T CA 1.748 63.880 62.100 0.054 0.000 1.139 2715 T CB -0.190 68.704 68.868 0.043 0.000 0.867 2715 T HN 0.447 nan 8.240 nan 0.000 0.454 2716 S N 1.149 116.879 115.700 0.050 0.000 2.345 2716 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 2716 S C 2.061 176.689 174.600 0.047 0.000 1.031 2716 S CA 0.921 59.151 58.200 0.051 0.000 0.996 2716 S CB -0.397 62.823 63.200 0.034 0.000 0.882 2716 S HN 0.421 nan 8.310 nan 0.000 0.445 2717 I N 1.796 122.385 120.570 0.030 0.000 2.286 2717 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 2717 I C 1.141 177.261 176.117 0.005 0.000 1.115 2717 I CA 0.650 61.958 61.300 0.014 0.000 1.392 2717 I CB -1.018 36.987 38.000 0.009 0.000 1.065 2717 I HN 0.330 nan 8.210 nan 0.000 0.418 2718 T N 0.093 114.658 114.554 0.019 0.000 2.934 2718 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 2718 T C 1.091 175.766 174.700 -0.042 0.000 1.042 2718 T CA 0.138 62.239 62.100 0.001 0.000 1.145 2718 T CB 1.107 69.998 68.868 0.037 0.000 0.982 2718 T HN 0.645 nan 8.240 nan 0.000 0.544 2719 G N 1.943 110.662 108.800 -0.134 0.000 2.157 2719 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 2719 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 2719 G C -0.066 174.720 174.900 -0.190 0.000 0.982 2719 G CA 0.206 45.133 45.100 -0.288 0.000 0.650 2719 G HN 0.905 nan 8.290 nan 0.000 0.527 2720 K N -0.950 119.385 120.400 -0.108 0.000 2.352 2720 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 2720 K C 1.610 178.166 176.600 -0.074 0.000 1.017 2720 K CA -0.556 55.682 56.287 -0.081 0.000 0.851 2720 K CB 1.269 33.739 32.500 -0.049 0.000 1.261 2720 K HN 0.174 nan 8.250 nan 0.000 0.451 2721 G N 0.514 109.270 108.800 -0.074 0.000 2.442 2721 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 2721 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 2721 G C 1.206 176.077 174.900 -0.049 0.000 1.141 2721 G CA 1.262 46.323 45.100 -0.066 0.000 0.763 2721 G HN 0.613 nan 8.290 nan 0.000 0.554 2722 A N 0.275 123.069 122.820 -0.043 0.000 2.209 2722 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 2722 A C 2.018 179.588 177.584 -0.024 0.000 1.158 2722 A CA 1.456 53.476 52.037 -0.028 0.000 0.742 2722 A CB -0.248 18.739 19.000 -0.021 0.000 0.790 2722 A HN 0.369 nan 8.150 nan 0.000 0.472 2723 E N 0.964 121.145 120.200 -0.031 0.000 2.267 2723 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 2723 E C 1.150 177.738 176.600 -0.020 0.000 0.998 2723 E CA 0.912 57.296 56.400 -0.026 0.000 0.830 2723 E CB -0.114 29.562 29.700 -0.040 0.000 0.751 2723 E HN 0.443 nan 8.360 nan 0.000 0.491 2724 K N -0.164 120.223 120.400 -0.021 0.000 2.160 2724 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 2724 K C 1.257 177.850 176.600 -0.010 0.000 1.047 2724 K CA 1.250 57.528 56.287 -0.016 0.000 0.930 2724 K CB -0.109 32.381 32.500 -0.017 0.000 0.720 2724 K HN 0.112 nan 8.250 nan 0.000 0.450 2725 A N 1.450 124.265 122.820 -0.009 0.000 2.855 2725 A HA 0.107 4.427 4.320 -0.000 0.000 0.301 2725 A C 1.311 178.894 177.584 -0.002 0.000 1.076 2725 A CA -0.447 51.587 52.037 -0.004 0.000 1.004 2725 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 2725 A HN 0.272 nan 8.150 nan 0.000 0.531 2726 K N -0.174 120.225 120.400 -0.002 0.000 2.147 2726 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 2726 K C 0.929 177.532 176.600 0.005 0.000 1.049 2726 K CA 1.813 58.101 56.287 0.002 0.000 0.936 2726 K CB -0.074 32.428 32.500 0.002 0.000 0.722 2726 K HN 0.313 nan 8.250 nan 0.000 0.446 2727 E N 1.624 121.827 120.200 0.004 0.000 2.028 2727 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 2727 E C 1.985 178.589 176.600 0.006 0.000 0.988 2727 E CA 1.377 57.781 56.400 0.006 0.000 0.799 2727 E CB -0.051 29.652 29.700 0.005 0.000 0.755 2727 E HN 0.372 nan 8.360 nan 0.000 0.447 2728 K N 0.218 120.621 120.400 0.005 0.000 2.026 2728 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 2728 K C 1.808 178.413 176.600 0.008 0.000 1.048 2728 K CA 0.896 57.187 56.287 0.007 0.000 0.929 2728 K CB -0.049 32.454 32.500 0.006 0.000 0.713 2728 K HN -0.003 nan 8.250 nan 0.000 0.439 2729 L N 1.064 122.291 121.223 0.008 0.000 2.046 2729 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 2729 L C 2.470 179.346 176.870 0.010 0.000 1.077 2729 L CA 1.983 56.829 54.840 0.009 0.000 0.747 2729 L CB -1.057 41.006 42.059 0.007 0.000 0.896 2729 L HN 0.254 nan 8.230 nan 0.000 0.432 2730 A N -0.997 121.829 122.820 0.010 0.000 1.933 2730 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 2730 A C 2.305 179.896 177.584 0.011 0.000 1.175 2730 A CA 1.714 53.758 52.037 0.011 0.000 0.628 2730 A CB -0.456 18.551 19.000 0.012 0.000 0.814 2730 A HN 0.406 nan 8.150 nan 0.000 0.444 2731 E N 0.736 120.943 120.200 0.011 0.000 2.028 2731 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 2731 E C 1.867 178.474 176.600 0.013 0.000 0.988 2731 E CA 1.726 58.133 56.400 0.011 0.000 0.799 2731 E CB -0.501 29.206 29.700 0.010 0.000 0.755 2731 E HN 0.724 nan 8.360 nan 0.000 0.447 2732 I N -1.462 119.116 120.570 0.013 0.000 2.286 2732 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 2732 I C 2.220 178.346 176.117 0.015 0.000 1.115 2732 I CA 1.268 62.576 61.300 0.015 0.000 1.392 2732 I CB -0.455 37.555 38.000 0.016 0.000 1.065 2732 I HN 0.038 nan 8.210 nan 0.000 0.418 2733 I N 0.966 121.544 120.570 0.013 0.000 2.202 2733 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 2733 I C 2.659 178.783 176.117 0.012 0.000 1.091 2733 I CA 1.024 62.331 61.300 0.013 0.000 1.368 2733 I CB -0.276 37.731 38.000 0.012 0.000 1.058 2733 I HN 0.085 nan 8.210 nan 0.000 0.410 2734 V N 0.829 120.750 119.914 0.012 0.000 2.343 2734 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 2734 V C 2.522 178.624 176.094 0.013 0.000 1.051 2734 V CA 2.151 64.458 62.300 0.012 0.000 1.036 2734 V CB -0.581 31.249 31.823 0.012 0.000 0.654 2734 V HN 0.436 nan 8.190 nan 0.000 0.451 2735 E N 0.883 121.091 120.200 0.015 0.000 2.072 2735 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 2735 E C 2.114 178.725 176.600 0.018 0.000 0.985 2735 E CA 1.673 58.083 56.400 0.017 0.000 0.801 2735 E CB -0.505 29.206 29.700 0.018 0.000 0.750 2735 E HN 0.484 nan 8.360 nan 0.000 0.452 2736 A N 0.228 123.058 122.820 0.016 0.000 1.883 2736 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 2736 A C 2.529 180.121 177.584 0.014 0.000 1.186 2736 A CA 1.943 53.989 52.037 0.015 0.000 0.624 2736 A CB -0.964 18.044 19.000 0.013 0.000 0.822 2736 A HN 0.206 nan 8.150 nan 0.000 0.444 2737 V N -0.472 119.449 119.914 0.012 0.000 2.295 2737 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 2737 V C 2.793 178.893 176.094 0.011 0.000 1.049 2737 V CA 2.325 64.631 62.300 0.010 0.000 1.024 2737 V CB -0.925 30.904 31.823 0.009 0.000 0.648 2737 V HN 0.664 nan 8.190 nan 0.000 0.447 2738 S N -0.217 115.490 115.700 0.012 0.000 2.383 2738 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 2738 S C 2.074 176.683 174.600 0.015 0.000 1.030 2738 S CA 1.702 59.909 58.200 0.012 0.000 1.002 2738 S CB -0.312 62.896 63.200 0.014 0.000 0.829 2738 S HN 0.622 nan 8.310 nan 0.000 0.467 2739 A N 0.836 123.668 122.820 0.020 0.000 1.898 2739 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 2739 A C 2.370 179.967 177.584 0.021 0.000 1.181 2739 A CA 1.737 53.790 52.037 0.027 0.000 0.620 2739 A CB -0.938 18.082 19.000 0.034 0.000 0.819 2739 A HN 0.945 nan 8.150 nan 0.000 0.442 2740 V N -3.170 116.753 119.914 0.015 0.000 2.951 2740 V HA -0.000 4.120 4.120 -0.000 0.000 0.255 2740 V C 2.059 178.157 176.094 0.006 0.000 1.088 2740 V CA 1.433 63.739 62.300 0.010 0.000 1.109 2740 V CB -0.540 31.287 31.823 0.007 0.000 0.724 2740 V HN 0.179 nan 8.190 nan 0.000 0.471 2741 V N 0.587 120.505 119.914 0.006 0.000 2.626 2741 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 2741 V C 1.699 177.793 176.094 0.000 0.000 1.067 2741 V CA 2.446 64.748 62.300 0.003 0.000 1.081 2741 V CB -0.516 31.309 31.823 0.004 0.000 0.686 2741 V HN 0.850 nan 8.190 nan 0.000 0.468 2742 D N -0.732 119.668 120.400 -0.000 0.000 4.508 2742 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 2742 D C 0.637 176.933 176.300 -0.007 0.000 0.644 2742 D CA 1.991 55.987 54.000 -0.006 0.000 1.244 2742 D CB -1.207 39.589 40.800 -0.007 0.000 0.727 2742 D HN 0.577 nan 8.370 nan 0.000 0.495 2743 D N 1.330 121.726 120.400 -0.007 0.000 2.377 2743 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 2743 D C -0.213 176.085 176.300 -0.003 0.000 1.196 2743 D CA 0.101 54.097 54.000 -0.006 0.000 0.962 2743 D CB 0.619 41.415 40.800 -0.007 0.000 1.127 2743 D HN 0.290 nan 8.370 nan 0.000 0.471 2744 E N 0.339 120.538 120.200 -0.003 0.000 2.136 2744 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 2744 E C -0.924 175.675 176.600 -0.001 0.000 1.017 2744 E CA -0.590 55.810 56.400 -0.001 0.000 0.883 2744 E CB -0.415 29.285 29.700 -0.001 0.000 1.199 2744 E HN 0.494 nan 8.360 nan 0.000 0.447 2745 G N 2.371 111.171 108.800 -0.000 0.000 2.405 2745 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 2745 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 2745 G C -1.922 172.978 174.900 0.000 0.000 1.644 2745 G CA -0.937 44.163 45.100 -0.000 0.000 0.899 2745 G HN 0.210 nan 8.290 nan 0.000 0.667 2746 K N 0.370 120.770 120.400 -0.000 0.000 2.427 2746 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 2746 K C -1.290 175.311 176.600 0.001 0.000 0.931 2746 K CA -0.776 55.511 56.287 0.000 0.000 0.793 2746 K CB 2.345 34.845 32.500 -0.000 0.000 1.211 2746 K HN 1.019 nan 8.250 nan 0.000 0.426 2747 V N 2.885 122.799 119.914 0.001 0.000 2.555 2747 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 2747 V C -1.579 174.515 176.094 0.001 0.000 1.038 2747 V CA -0.525 61.776 62.300 0.001 0.000 0.887 2747 V CB 1.843 33.667 31.823 0.003 0.000 0.991 2747 V HN 0.894 nan 8.190 nan 0.000 0.434 2748 D N 4.698 125.098 120.400 0.000 0.000 2.461 2748 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 2748 D C 0.771 177.070 176.300 -0.001 0.000 1.094 2748 D CA -0.300 53.700 54.000 -0.001 0.000 0.868 2748 D CB 1.628 42.426 40.800 -0.003 0.000 1.062 2748 D HN 0.657 nan 8.370 nan 0.000 0.530 2749 K N 2.597 122.997 120.400 -0.001 0.000 2.520 2749 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 2749 K C 0.823 177.421 176.600 -0.003 0.000 1.043 2749 K CA 0.880 57.166 56.287 -0.001 0.000 0.944 2749 K CB 0.235 32.735 32.500 0.000 0.000 0.770 2749 K HN 0.281 nan 8.250 nan 0.000 0.480 2750 D N 0.229 120.626 120.400 -0.005 0.000 2.264 2750 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 2750 D C 1.319 177.613 176.300 -0.011 0.000 0.966 2750 D CA 0.732 54.727 54.000 -0.009 0.000 0.864 2750 D CB 0.176 40.971 40.800 -0.009 0.000 0.933 2750 D HN 0.258 nan 8.370 nan 0.000 0.499 2751 L N -0.106 121.112 121.223 -0.008 0.000 2.591 2751 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 2751 L C 0.269 177.135 176.870 -0.007 0.000 1.133 2751 L CA 0.122 54.957 54.840 -0.009 0.000 0.880 2751 L CB 0.143 42.199 42.059 -0.004 0.000 1.033 2751 L HN 0.011 nan 8.230 nan 0.000 0.450 2752 I N 0.701 121.267 120.570 -0.006 0.000 2.405 2752 I HA 0.182 4.352 4.170 -0.000 0.000 0.280 2752 I C 0.126 176.239 176.117 -0.008 0.000 1.027 2752 I CA -0.325 60.973 61.300 -0.004 0.000 1.161 2752 I CB 1.260 39.260 38.000 0.001 0.000 1.300 2752 I HN -0.006 nan 8.210 nan 0.000 0.463 2753 K N 6.352 126.744 120.400 -0.013 0.000 2.185 2753 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 2753 K C -0.738 175.854 176.600 -0.013 0.000 1.013 2753 K CA -0.470 55.806 56.287 -0.018 0.000 0.943 2753 K CB 1.060 33.541 32.500 -0.031 0.000 0.998 2753 K HN 0.437 nan 8.250 nan 0.000 0.468 2754 I N 3.930 124.492 120.570 -0.012 0.000 2.390 2754 I HA 0.166 4.335 4.170 -0.000 0.000 0.283 2754 I C -0.557 175.554 176.117 -0.010 0.000 1.016 2754 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 2754 I CB 0.979 38.978 38.000 -0.000 0.000 1.293 2754 I HN 0.686 nan 8.210 nan 0.000 0.458 2755 E N 7.559 127.752 120.200 -0.013 0.000 2.151 2755 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 2755 E C -0.888 175.712 176.600 0.000 0.000 0.936 2755 E CA -0.624 55.766 56.400 -0.016 0.000 0.777 2755 E CB 1.142 30.818 29.700 -0.040 0.000 1.108 2755 E HN 0.539 nan 8.360 nan 0.000 0.401 2756 K N 2.783 123.185 120.400 0.004 0.000 2.471 2756 K HA 0.617 4.937 4.320 -0.000 0.000 0.252 2756 K C -1.120 175.491 176.600 0.017 0.000 0.938 2756 K CA -1.165 55.131 56.287 0.015 0.000 0.796 2756 K CB 1.632 34.142 32.500 0.016 0.000 1.161 2756 K HN 0.179 nan 8.250 nan 0.000 0.425 2757 K N 1.874 122.289 120.400 0.025 0.000 2.578 2757 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 2757 K C -1.019 175.598 176.600 0.030 0.000 0.955 2757 K CA -0.376 55.928 56.287 0.028 0.000 0.825 2757 K CB 2.072 34.593 32.500 0.035 0.000 1.151 2757 K HN 0.701 nan 8.250 nan 0.000 0.432 2758 S N 2.628 118.344 115.700 0.027 0.000 2.563 2758 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 2758 S C 0.110 174.725 174.600 0.025 0.000 1.331 2758 S CA 1.270 59.485 58.200 0.025 0.000 1.047 2758 S CB -0.146 63.070 63.200 0.026 0.000 0.859 2758 S HN 1.087 nan 8.310 nan 0.000 0.514 2759 G N 1.504 110.317 108.800 0.021 0.000 2.375 2759 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 2759 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 2759 G C -0.115 174.796 174.900 0.018 0.000 1.391 2759 G CA -0.010 45.101 45.100 0.020 0.000 0.949 2759 G HN 2.128 nan 8.290 nan 0.000 0.646 2760 A N -0.625 122.203 122.820 0.014 0.000 5.949 2760 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 2760 A C 1.158 178.746 177.584 0.008 0.000 2.055 2760 A CA 1.932 53.975 52.037 0.010 0.000 0.713 2760 A CB -1.612 17.396 19.000 0.013 0.000 1.146 2760 A HN 2.691 nan 8.150 nan 0.000 0.370 2761 S N -2.944 112.759 115.700 0.005 0.000 2.806 2761 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 2761 S C 1.073 175.674 174.600 0.003 0.000 1.127 2761 S CA 0.218 58.419 58.200 0.002 0.000 0.918 2761 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 2761 S HN 1.905 nan 8.310 nan 0.000 0.552 2762 I N 1.868 122.437 120.570 -0.002 0.000 2.493 2762 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 2762 I C 1.283 177.400 176.117 0.000 0.000 1.160 2762 I CA 1.684 62.983 61.300 -0.002 0.000 1.445 2762 I CB -0.422 37.572 38.000 -0.009 0.000 1.086 2762 I HN 0.581 nan 8.210 nan 0.000 0.433 2763 D N 0.696 121.095 120.400 -0.001 0.000 2.178 2763 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 2763 D C 1.560 177.861 176.300 0.003 0.000 0.980 2763 D CA 1.343 55.343 54.000 -0.000 0.000 0.842 2763 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 2763 D HN 0.444 nan 8.370 nan 0.000 0.472 2764 D N -0.351 120.052 120.400 0.005 0.000 2.348 2764 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 2764 D C 0.363 176.672 176.300 0.016 0.000 0.970 2764 D CA 0.500 54.505 54.000 0.009 0.000 0.889 2764 D CB -0.045 40.761 40.800 0.010 0.000 0.912 2764 D HN 0.020 nan 8.370 nan 0.000 0.524 2765 T N 1.323 115.887 114.554 0.016 0.000 2.908 2765 T HA 0.147 4.497 4.350 -0.000 0.000 0.325 2765 T C 0.319 175.033 174.700 0.024 0.000 1.092 2765 T CA 0.286 62.399 62.100 0.022 0.000 1.125 2765 T CB 0.423 69.300 68.868 0.016 0.000 1.016 2765 T HN 0.318 nan 8.240 nan 0.000 0.550 2766 E N 0.754 120.974 120.200 0.033 0.000 2.429 2766 E HA 0.555 4.905 4.350 -0.000 0.000 0.280 2766 E C -1.814 174.810 176.600 0.040 0.000 1.068 2766 E CA -1.082 55.339 56.400 0.034 0.000 0.837 2766 E CB 0.970 30.692 29.700 0.037 0.000 1.357 2766 E HN 0.349 nan 8.360 nan 0.000 0.455 2767 L N 1.223 122.468 121.223 0.036 0.000 2.317 2767 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 2767 L C -1.532 175.366 176.870 0.047 0.000 1.024 2767 L CA -0.552 54.310 54.840 0.037 0.000 0.810 2767 L CB 1.345 43.419 42.059 0.026 0.000 1.240 2767 L HN 0.626 nan 8.230 nan 0.000 0.427 2768 I N 4.311 124.914 120.570 0.054 0.000 2.411 2768 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 2768 I C -0.226 175.918 176.117 0.046 0.000 1.012 2768 I CA -0.476 60.865 61.300 0.069 0.000 1.119 2768 I CB 1.358 39.429 38.000 0.118 0.000 1.261 2768 I HN 0.419 nan 8.210 nan 0.000 0.448 2769 K N 4.798 125.220 120.400 0.036 0.000 2.199 2769 K HA 0.545 4.865 4.320 -0.000 0.000 0.226 2769 K C 0.428 177.041 176.600 0.023 0.000 1.237 2769 K CA 0.067 56.368 56.287 0.024 0.000 1.170 2769 K CB -0.338 32.171 32.500 0.013 0.000 1.418 2769 K HN 0.874 nan 8.250 nan 0.000 0.255 2770 G N -1.402 107.411 108.800 0.023 0.000 2.441 2770 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 2770 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 2770 G C -1.617 173.283 174.900 -0.001 0.000 1.200 2770 G CA -0.630 44.480 45.100 0.017 0.000 0.947 2770 G HN 0.064 nan 8.290 nan 0.000 0.484 2771 V N 0.382 120.286 119.914 -0.016 0.000 3.007 2771 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 2771 V C -0.875 175.144 176.094 -0.125 0.000 1.120 2771 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 2771 V CB 2.012 33.788 31.823 -0.079 0.000 1.033 2771 V HN 0.829 nan 8.190 nan 0.000 0.429 2772 L N 4.053 125.160 121.223 -0.194 0.000 2.345 2772 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 2772 L C -1.204 175.506 176.870 -0.266 0.000 0.999 2772 L CA -0.368 54.239 54.840 -0.390 0.000 0.849 2772 L CB 1.460 43.228 42.059 -0.485 0.000 1.220 2772 L HN 0.487 nan 8.230 nan 0.000 0.422 2773 V N 3.325 123.099 119.914 -0.234 0.000 2.472 2773 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 2773 V C -0.220 175.809 176.094 -0.108 0.000 1.037 2773 V CA -0.656 61.571 62.300 -0.121 0.000 0.908 2773 V CB 1.703 33.502 31.823 -0.040 0.000 0.985 2773 V HN 0.778 nan 8.190 nan 0.000 0.454 2774 D N 3.409 123.769 120.400 -0.066 0.000 2.896 2774 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 2774 D C -0.142 176.155 176.300 -0.005 0.000 1.193 2774 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 2774 D CB 0.202 40.983 40.800 -0.032 0.000 1.074 2774 D HN 0.500 nan 8.370 nan 0.000 0.496 2775 K N -0.088 120.318 120.400 0.010 0.000 2.439 2775 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 2775 K C -0.633 175.988 176.600 0.034 0.000 1.032 2775 K CA -0.919 55.386 56.287 0.031 0.000 0.882 2775 K CB 2.544 35.080 32.500 0.059 0.000 1.420 2775 K HN 0.088 nan 8.250 nan 0.000 0.455 2776 E N 0.706 120.923 120.200 0.029 0.000 2.320 2776 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 2776 E C -1.071 175.533 176.600 0.007 0.000 0.923 2776 E CA -0.840 55.574 56.400 0.024 0.000 0.796 2776 E CB 1.566 31.278 29.700 0.020 0.000 1.262 2776 E HN 0.288 nan 8.360 nan 0.000 0.428 2777 R N 1.826 122.327 120.500 0.002 0.000 2.404 2777 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 2777 R C 1.089 177.378 176.300 -0.018 0.000 1.032 2777 R CA -0.225 55.862 56.100 -0.022 0.000 0.992 2777 R CB 0.470 30.760 30.300 -0.016 0.000 0.959 2777 R HN 0.376 nan 8.270 nan 0.000 0.428 2778 V N 1.773 121.667 119.914 -0.032 0.000 2.380 2778 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 2778 V C 1.211 177.299 176.094 -0.010 0.000 1.063 2778 V CA 1.793 64.080 62.300 -0.023 0.000 1.055 2778 V CB -0.240 31.561 31.823 -0.036 0.000 0.657 2778 V HN 0.709 nan 8.190 nan 0.000 0.455 2779 S N -1.411 114.285 115.700 -0.007 0.000 2.501 2779 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 2779 S C 0.872 175.478 174.600 0.011 0.000 1.096 2779 S CA -0.186 58.022 58.200 0.012 0.000 1.063 2779 S CB 1.894 65.111 63.200 0.029 0.000 1.042 2779 S HN 0.311 nan 8.310 nan 0.000 0.494 2780 A N 3.443 126.272 122.820 0.015 0.000 1.930 2780 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 2780 A C 1.920 179.509 177.584 0.009 0.000 1.175 2780 A CA 1.022 53.065 52.037 0.010 0.000 0.627 2780 A CB -0.475 18.529 19.000 0.008 0.000 0.815 2780 A HN 0.806 nan 8.150 nan 0.000 0.443 2781 Q N -0.490 119.318 119.800 0.013 0.000 2.472 2781 Q HA 0.121 4.461 4.340 -0.000 0.000 0.208 2781 Q C 0.493 176.501 176.000 0.014 0.000 0.958 2781 Q CA 0.208 56.018 55.803 0.011 0.000 0.932 2781 Q CB -0.339 28.406 28.738 0.010 0.000 1.007 2781 Q HN 0.692 nan 8.270 nan 0.000 0.508 2782 M N 1.795 121.403 119.600 0.013 0.000 2.248 2782 M HA 0.093 4.573 4.480 -0.000 0.000 0.337 2782 M C -1.948 174.355 176.300 0.006 0.000 1.121 2782 M CA -1.430 53.874 55.300 0.008 0.000 1.155 2782 M CB -0.103 32.495 32.600 -0.003 0.000 1.514 2782 M HN -0.194 nan 8.290 nan 0.000 0.452 2783 P HA 0.003 nan 4.420 nan 0.000 0.267 2783 P C -0.328 176.977 177.300 0.007 0.000 1.200 2783 P CA 0.195 63.299 63.100 0.007 0.000 0.772 2783 P CB 0.469 32.173 31.700 0.007 0.000 0.855 2784 K N 1.269 121.674 120.400 0.008 0.000 2.393 2784 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 2784 K C 0.090 176.698 176.600 0.014 0.000 1.026 2784 K CA 0.434 56.728 56.287 0.011 0.000 1.064 2784 K CB 0.183 32.689 32.500 0.009 0.000 0.833 2784 K HN 0.142 nan 8.250 nan 0.000 0.521 2785 K N 0.249 120.656 120.400 0.012 0.000 2.571 2785 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 2785 K C -2.223 174.385 176.600 0.013 0.000 0.956 2785 K CA -0.657 55.638 56.287 0.013 0.000 0.822 2785 K CB 2.037 34.542 32.500 0.008 0.000 1.286 2785 K HN -0.117 nan 8.250 nan 0.000 0.439 2786 V N 3.896 123.821 119.914 0.018 0.000 2.638 2786 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 2786 V C -1.257 174.849 176.094 0.020 0.000 1.052 2786 V CA -0.029 62.282 62.300 0.018 0.000 0.885 2786 V CB 1.984 33.819 31.823 0.021 0.000 0.999 2786 V HN 0.953 nan 8.190 nan 0.000 0.424 2787 T N 1.542 116.105 114.554 0.016 0.000 2.855 2787 T HA 0.516 4.866 4.350 -0.000 0.000 0.281 2787 T C 0.029 174.739 174.700 0.016 0.000 1.007 2787 T CA 0.175 62.284 62.100 0.015 0.000 1.009 2787 T CB 1.258 70.132 68.868 0.010 0.000 0.983 2787 T HN 1.075 nan 8.240 nan 0.000 0.455 2788 D N 0.672 121.082 120.400 0.016 0.000 2.689 2788 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 2788 D C 0.396 176.709 176.300 0.022 0.000 1.148 2788 D CA 0.875 54.885 54.000 0.017 0.000 0.656 2788 D CB -1.216 39.592 40.800 0.013 0.000 1.050 2788 D HN 1.121 nan 8.370 nan 0.000 0.426 2789 A N 1.318 124.155 122.820 0.028 0.000 2.498 2789 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 2789 A C 0.536 178.143 177.584 0.038 0.000 1.068 2789 A CA 0.231 52.289 52.037 0.035 0.000 0.766 2789 A CB 0.577 19.605 19.000 0.046 0.000 1.003 2789 A HN 0.162 nan 8.150 nan 0.000 0.497 2790 K N 2.486 122.909 120.400 0.038 0.000 2.389 2790 K HA 0.417 4.737 4.320 -0.000 0.000 0.261 2790 K C -1.253 175.379 176.600 0.054 0.000 1.014 2790 K CA -0.211 56.100 56.287 0.040 0.000 0.920 2790 K CB 1.061 33.579 32.500 0.031 0.000 1.149 2790 K HN 0.537 nan 8.250 nan 0.000 0.444 2791 I N 1.931 122.544 120.570 0.072 0.000 2.365 2791 I HA 0.300 4.469 4.170 -0.000 0.000 0.291 2791 I C 0.352 176.531 176.117 0.102 0.000 1.004 2791 I CA -0.375 60.992 61.300 0.111 0.000 1.311 2791 I CB 1.584 39.678 38.000 0.156 0.000 1.401 2791 I HN 0.486 nan 8.210 nan 0.000 0.491 2792 A N 6.444 129.334 122.820 0.117 0.000 2.318 2792 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 2792 A C -1.130 176.543 177.584 0.147 0.000 1.170 2792 A CA -0.516 51.581 52.037 0.099 0.000 0.810 2792 A CB 0.974 20.013 19.000 0.066 0.000 1.198 2792 A HN 0.600 nan 8.150 nan 0.000 0.484 2793 L N 3.649 124.938 121.223 0.109 0.000 2.324 2793 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 2793 L C -1.213 175.701 176.870 0.073 0.000 1.012 2793 L CA -0.011 54.895 54.840 0.110 0.000 0.859 2793 L CB 0.516 42.610 42.059 0.057 0.000 1.224 2793 L HN 0.646 nan 8.230 nan 0.000 0.429 2794 L N 4.213 125.485 121.223 0.082 0.000 2.334 2794 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 2794 L C 0.805 177.706 176.870 0.052 0.000 1.014 2794 L CA -0.464 54.409 54.840 0.054 0.000 0.815 2794 L CB 1.835 43.922 42.059 0.046 0.000 1.268 2794 L HN 0.600 nan 8.230 nan 0.000 0.428 2795 N N 0.527 119.248 118.700 0.035 0.000 2.397 2795 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 2795 N C 0.249 175.773 175.510 0.023 0.000 1.099 2795 N CA -0.159 52.908 53.050 0.029 0.000 0.876 2795 N CB 0.593 39.092 38.487 0.021 0.000 1.143 2795 N HN 0.580 nan 8.380 nan 0.000 0.468 2796 C N 2.493 121.805 119.300 0.021 0.000 2.644 2796 C HA 0.655 5.115 4.460 -0.000 0.000 0.417 2796 C C 1.004 176.003 174.990 0.016 0.000 1.304 2796 C CA -0.712 58.315 59.018 0.016 0.000 2.035 2796 C CB -0.814 26.935 27.740 0.016 0.000 2.673 2796 C HN 0.430 nan 8.230 nan 0.000 0.602 2797 A N 6.617 129.444 122.820 0.011 0.000 2.462 2797 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 2797 A C 0.253 177.841 177.584 0.006 0.000 1.076 2797 A CA -0.128 51.913 52.037 0.007 0.000 0.773 2797 A CB 0.058 19.060 19.000 0.002 0.000 1.010 2797 A HN 0.799 nan 8.150 nan 0.000 0.493 2798 I N 3.271 123.842 120.570 0.003 0.000 2.234 2798 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 2798 I C 0.618 176.734 176.117 -0.001 0.000 1.131 2798 I CA 0.431 61.734 61.300 0.005 0.000 1.335 2798 I CB -1.473 36.530 38.000 0.006 0.000 1.511 2798 I HN 0.887 nan 8.210 nan 0.000 0.588 2799 E N 3.744 123.945 120.200 0.002 0.000 2.431 2799 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 2799 E C -0.668 175.936 176.600 0.008 0.000 0.953 2799 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 2799 E CB 1.972 31.668 29.700 -0.006 0.000 1.369 2799 E HN -0.038 nan 8.360 nan 0.000 0.440 2800 I N 2.405 122.980 120.570 0.009 0.000 2.483 2800 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 2800 I C 0.384 176.509 176.117 0.013 0.000 1.112 2800 I CA -0.156 61.153 61.300 0.016 0.000 1.350 2800 I CB -0.506 37.505 38.000 0.018 0.000 1.419 2800 I HN 0.411 nan 8.210 nan 0.000 0.523 2801 K N 5.937 126.346 120.400 0.015 0.000 2.414 2801 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 2801 K C 0.264 176.872 176.600 0.014 0.000 0.993 2801 K CA -0.114 56.181 56.287 0.013 0.000 0.964 2801 K CB 1.084 33.592 32.500 0.014 0.000 0.925 2801 K HN 0.425 nan 8.250 nan 0.000 0.487 2802 E N 0.941 121.147 120.200 0.009 0.000 2.288 2802 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 2802 E C -0.425 176.180 176.600 0.008 0.000 0.885 2802 E CA -0.612 55.792 56.400 0.008 0.000 0.767 2802 E CB 1.770 31.472 29.700 0.002 0.000 1.220 2802 E HN 0.622 nan 8.360 nan 0.000 0.427 2803 T N -0.285 114.274 114.554 0.008 0.000 2.903 2803 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 2803 T C 1.072 175.774 174.700 0.004 0.000 1.078 2803 T CA -0.433 61.672 62.100 0.008 0.000 1.114 2803 T CB 0.959 69.833 68.868 0.009 0.000 0.987 2803 T HN 0.231 nan 8.240 nan 0.000 0.548 2804 E N 0.760 120.963 120.200 0.004 0.000 2.077 2804 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 2804 E C 1.291 177.892 176.600 0.002 0.000 0.989 2804 E CA 0.978 57.379 56.400 0.003 0.000 0.800 2804 E CB -0.548 29.154 29.700 0.003 0.000 0.746 2804 E HN 0.805 nan 8.360 nan 0.000 0.452 2805 T N 1.597 116.152 114.554 0.002 0.000 2.919 2805 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 2805 T C -0.188 174.512 174.700 -0.000 0.000 1.031 2805 T CA -0.563 61.538 62.100 0.002 0.000 1.127 2805 T CB 0.584 69.454 68.868 0.003 0.000 0.952 2805 T HN -0.153 nan 8.240 nan 0.000 0.540 2806 D N 2.516 122.915 120.400 -0.002 0.000 2.458 2806 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 2806 D C -0.415 175.882 176.300 -0.006 0.000 1.146 2806 D CA 0.170 54.167 54.000 -0.005 0.000 0.877 2806 D CB 0.519 41.315 40.800 -0.006 0.000 1.176 2806 D HN 0.759 nan 8.370 nan 0.000 0.461 2807 A N 3.433 126.247 122.820 -0.010 0.000 2.556 2807 A HA 0.721 5.041 4.320 -0.000 0.000 0.294 2807 A C -0.894 176.675 177.584 -0.026 0.000 1.091 2807 A CA -0.693 51.337 52.037 -0.012 0.000 0.704 2807 A CB 1.699 20.696 19.000 -0.005 0.000 1.300 2807 A HN 0.588 nan 8.150 nan 0.000 0.406 2808 E N 0.612 120.791 120.200 -0.035 0.000 2.381 2808 E HA 0.454 4.804 4.350 -0.000 0.000 0.286 2808 E C -1.819 174.731 176.600 -0.083 0.000 0.960 2808 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 2808 E CB 1.278 30.947 29.700 -0.052 0.000 1.225 2808 E HN 0.496 nan 8.360 nan 0.000 0.420 2809 I N 3.298 123.773 120.570 -0.159 0.000 2.496 2809 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 2809 I C 0.172 176.190 176.117 -0.165 0.000 1.080 2809 I CA -0.031 61.123 61.300 -0.243 0.000 1.404 2809 I CB 0.554 38.167 38.000 -0.644 0.000 1.403 2809 I HN 0.293 nan 8.210 nan 0.000 0.539 2810 R N 7.358 127.810 120.500 -0.079 0.000 2.423 2810 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 2810 R C -0.625 175.683 176.300 0.012 0.000 1.196 2810 R CA -0.570 55.512 56.100 -0.030 0.000 1.262 2810 R CB 0.203 30.501 30.300 -0.003 0.000 1.116 2810 R HN 0.554 nan 8.270 nan 0.000 0.566 2811 I N 1.900 122.466 120.570 -0.007 0.000 2.588 2811 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 2811 I C 1.439 177.585 176.117 0.048 0.000 1.119 2811 I CA 0.562 61.897 61.300 0.058 0.000 1.419 2811 I CB 1.056 39.080 38.000 0.040 0.000 1.394 2811 I HN 0.524 nan 8.210 nan 0.000 0.562 2812 T N -0.748 113.845 114.554 0.066 0.000 3.087 2812 T HA 0.272 4.622 4.350 -0.000 0.000 0.283 2812 T C 0.071 174.796 174.700 0.042 0.000 0.956 2812 T CA -0.329 61.798 62.100 0.044 0.000 0.894 2812 T CB 0.303 69.195 68.868 0.039 0.000 1.160 2812 T HN 0.450 nan 8.240 nan 0.000 0.532 2813 D N 1.374 121.806 120.400 0.054 0.000 2.857 2813 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 2813 D C -2.325 174.005 176.300 0.051 0.000 1.192 2813 D CA -1.511 52.515 54.000 0.043 0.000 0.857 2813 D CB 2.767 43.588 40.800 0.035 0.000 1.645 2813 D HN -0.234 nan 8.370 nan 0.000 0.482 2814 P HA -0.121 nan 4.420 nan 0.000 0.218 2814 P C 1.157 178.481 177.300 0.040 0.000 1.148 2814 P CA 1.067 64.190 63.100 0.037 0.000 0.822 2814 P CB 0.290 32.005 31.700 0.025 0.000 0.784 2815 A N -0.013 122.825 122.820 0.030 0.000 1.978 2815 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 2815 A C 2.069 179.667 177.584 0.023 0.000 1.170 2815 A CA 1.655 53.702 52.037 0.018 0.000 0.636 2815 A CB -0.950 18.051 19.000 0.003 0.000 0.810 2815 A HN 0.195 nan 8.150 nan 0.000 0.448 2816 K N -0.455 119.981 120.400 0.060 0.000 2.155 2816 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 2816 K C 1.687 178.430 176.600 0.237 0.000 1.052 2816 K CA 0.889 57.251 56.287 0.125 0.000 0.948 2816 K CB -0.310 32.343 32.500 0.254 0.000 0.728 2816 K HN 0.476 nan 8.250 nan 0.000 0.448 2817 L N 0.411 121.730 121.223 0.160 0.000 2.127 2817 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 2817 L C 2.384 179.328 176.870 0.125 0.000 1.089 2817 L CA 0.950 55.873 54.840 0.139 0.000 0.757 2817 L CB -0.310 41.795 42.059 0.077 0.000 0.899 2817 L HN 0.256 nan 8.230 nan 0.000 0.434 2818 M N -1.403 118.247 119.600 0.083 0.000 2.357 2818 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 2818 M C 2.190 178.509 176.300 0.031 0.000 1.095 2818 M CA 1.050 56.381 55.300 0.052 0.000 1.156 2818 M CB -0.953 31.663 32.600 0.026 0.000 1.365 2818 M HN 0.189 nan 8.290 nan 0.000 0.447 2819 E N 0.662 120.854 120.200 -0.013 0.000 2.070 2819 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 2819 E C 1.937 178.436 176.600 -0.169 0.000 1.004 2819 E CA 1.706 58.021 56.400 -0.142 0.000 0.805 2819 E CB -0.194 29.337 29.700 -0.281 0.000 0.744 2819 E HN 0.455 nan 8.360 nan 0.000 0.451 2820 F N 0.398 120.352 119.950 0.007 0.000 2.206 2820 F HA -0.017 4.510 4.527 0.000 0.000 0.298 2820 F C 2.514 178.320 175.800 0.010 0.000 1.090 2820 F CA 0.571 58.575 58.000 0.007 0.000 1.323 2820 F CB -0.194 38.810 39.000 0.006 0.000 1.028 2820 F HN -0.016 nan 8.300 nan 0.000 0.492 2821 I N -0.029 120.655 120.570 0.190 0.000 2.163 2821 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 2821 I C 2.288 178.451 176.117 0.076 0.000 1.085 2821 I CA 1.304 62.671 61.300 0.113 0.000 1.347 2821 I CB -0.390 37.660 38.000 0.084 0.000 1.044 2821 I HN 0.109 nan 8.210 nan 0.000 0.408 2822 E N 0.198 120.428 120.200 0.050 0.000 2.150 2822 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 2822 E C 2.022 178.634 176.600 0.021 0.000 0.985 2822 E CA 0.948 57.364 56.400 0.026 0.000 0.814 2822 E CB -0.189 29.513 29.700 0.003 0.000 0.752 2822 E HN 0.447 nan 8.360 nan 0.000 0.466 2823 Q N 1.349 121.161 119.800 0.020 0.000 2.079 2823 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 2823 Q C 1.673 177.703 176.000 0.050 0.000 0.974 2823 Q CA 1.577 57.391 55.803 0.019 0.000 0.840 2823 Q CB 0.018 28.758 28.738 0.004 0.000 0.898 2823 Q HN 0.287 nan 8.270 nan 0.000 0.430 2824 E N -0.406 119.840 120.200 0.076 0.000 2.152 2824 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 2824 E C 1.844 178.481 176.600 0.061 0.000 0.983 2824 E CA 0.811 57.254 56.400 0.072 0.000 0.818 2824 E CB 0.094 29.842 29.700 0.079 0.000 0.758 2824 E HN 0.347 nan 8.360 nan 0.000 0.467 2825 E N 1.050 121.286 120.200 0.060 0.000 2.072 2825 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 2825 E C 1.909 178.541 176.600 0.052 0.000 0.985 2825 E CA 0.847 57.285 56.400 0.065 0.000 0.801 2825 E CB -0.113 29.622 29.700 0.058 0.000 0.750 2825 E HN 0.164 nan 8.360 nan 0.000 0.452 2826 K N 0.654 121.075 120.400 0.034 0.000 2.026 2826 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 2826 K C 2.282 178.898 176.600 0.026 0.000 1.048 2826 K CA 1.361 57.660 56.287 0.020 0.000 0.929 2826 K CB -0.162 32.344 32.500 0.009 0.000 0.713 2826 K HN 0.040 nan 8.250 nan 0.000 0.439 2827 M N 0.940 120.560 119.600 0.033 0.000 2.108 2827 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 2827 M C 2.085 178.410 176.300 0.042 0.000 1.066 2827 M CA 1.473 56.794 55.300 0.035 0.000 1.107 2827 M CB -0.068 32.555 32.600 0.038 0.000 1.356 2827 M HN 0.357 nan 8.290 nan 0.000 0.406 2828 L N 0.094 121.351 121.223 0.056 0.000 2.027 2828 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 2828 L C 2.249 179.177 176.870 0.096 0.000 1.074 2828 L CA 1.546 56.432 54.840 0.077 0.000 0.745 2828 L CB -0.303 41.813 42.059 0.096 0.000 0.898 2828 L HN 0.280 nan 8.230 nan 0.000 0.433 2829 K N -0.349 120.099 120.400 0.080 0.000 2.097 2829 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 2829 K C 1.657 178.270 176.600 0.022 0.000 1.049 2829 K CA 1.576 57.886 56.287 0.038 0.000 0.933 2829 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 2829 K HN 0.356 nan 8.250 nan 0.000 0.442 2830 D N 0.528 120.941 120.400 0.022 0.000 2.144 2830 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 2830 D C 1.936 178.250 176.300 0.022 0.000 0.984 2830 D CA 0.996 55.006 54.000 0.015 0.000 0.834 2830 D CB 0.004 40.812 40.800 0.014 0.000 0.955 2830 D HN 0.069 nan 8.370 nan 0.000 0.465 2831 M N 0.373 119.993 119.600 0.032 0.000 2.084 2831 M HA -0.138 4.341 4.480 -0.000 0.000 0.259 2831 M C 2.455 178.777 176.300 0.037 0.000 1.072 2831 M CA 0.945 56.265 55.300 0.034 0.000 1.107 2831 M CB -1.092 31.531 32.600 0.039 0.000 1.299 2831 M HN -0.071 nan 8.290 nan 0.000 0.413 2832 V N 0.597 120.544 119.914 0.055 0.000 2.287 2832 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 2832 V C 2.734 178.851 176.094 0.038 0.000 1.053 2832 V CA 1.945 64.284 62.300 0.064 0.000 1.027 2832 V CB -1.461 30.436 31.823 0.124 0.000 0.646 2832 V HN 0.543 nan 8.190 nan 0.000 0.447 2833 A N -0.153 122.680 122.820 0.022 0.000 1.940 2833 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 2833 A C 2.192 179.781 177.584 0.009 0.000 1.176 2833 A CA 2.186 54.225 52.037 0.005 0.000 0.631 2833 A CB -0.528 18.468 19.000 -0.007 0.000 0.814 2833 A HN 0.570 nan 8.150 nan 0.000 0.446 2834 E N 0.269 120.477 120.200 0.014 0.000 2.077 2834 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 2834 E C 1.696 178.306 176.600 0.017 0.000 0.989 2834 E CA 1.383 57.792 56.400 0.014 0.000 0.800 2834 E CB -0.394 29.316 29.700 0.016 0.000 0.746 2834 E HN 0.657 nan 8.360 nan 0.000 0.452 2835 I N 0.613 121.195 120.570 0.021 0.000 2.142 2835 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 2835 I C 2.618 178.747 176.117 0.020 0.000 1.078 2835 I CA 1.285 62.599 61.300 0.022 0.000 1.343 2835 I CB -0.444 37.571 38.000 0.025 0.000 1.046 2835 I HN 0.102 nan 8.210 nan 0.000 0.405 2836 K N 1.679 122.090 120.400 0.018 0.000 2.063 2836 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 2836 K C 2.126 178.733 176.600 0.011 0.000 1.048 2836 K CA 1.805 58.101 56.287 0.015 0.000 0.928 2836 K CB -0.239 32.268 32.500 0.011 0.000 0.713 2836 K HN 0.317 nan 8.250 nan 0.000 0.442 2837 A N 0.507 123.333 122.820 0.010 0.000 2.024 2837 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 2837 A C 2.239 179.829 177.584 0.010 0.000 1.164 2837 A CA 2.164 54.206 52.037 0.008 0.000 0.643 2837 A CB -0.652 18.352 19.000 0.007 0.000 0.806 2837 A HN 0.440 nan 8.150 nan 0.000 0.451 2838 S N -1.967 113.741 115.700 0.014 0.000 2.453 2838 S HA 0.217 4.687 4.470 -0.000 0.000 0.231 2838 S C 1.483 176.093 174.600 0.016 0.000 1.005 2838 S CA 1.624 59.834 58.200 0.016 0.000 0.949 2838 S CB -0.322 62.890 63.200 0.019 0.000 0.774 2838 S HN 1.818 nan 8.310 nan 0.000 0.510 2839 G N -0.010 108.799 108.800 0.015 0.000 2.176 2839 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 2839 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 2839 G C 0.152 175.063 174.900 0.019 0.000 0.986 2839 G CA 0.112 45.221 45.100 0.016 0.000 0.643 2839 G HN 1.018 nan 8.290 nan 0.000 0.522 2840 A N 0.047 122.880 122.820 0.022 0.000 2.477 2840 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 2840 A C 1.081 178.677 177.584 0.020 0.000 1.078 2840 A CA 0.777 52.829 52.037 0.026 0.000 0.770 2840 A CB 0.183 19.201 19.000 0.030 0.000 1.011 2840 A HN 0.378 nan 8.150 nan 0.000 0.494 2841 N N 0.483 119.196 118.700 0.021 0.000 2.159 2841 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 2841 N C -0.880 174.631 175.510 0.002 0.000 1.223 2841 N CA 0.370 53.428 53.050 0.013 0.000 0.896 2841 N CB 1.237 39.734 38.487 0.016 0.000 1.064 2841 N HN 0.360 nan 8.380 nan 0.000 0.518 2842 V N 1.889 121.808 119.914 0.008 0.000 2.709 2842 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 2842 V C -1.076 175.006 176.094 -0.019 0.000 1.062 2842 V CA -0.908 61.377 62.300 -0.024 0.000 0.901 2842 V CB 2.696 34.540 31.823 0.036 0.000 1.003 2842 V HN -0.032 nan 8.190 nan 0.000 0.425 2843 L N 4.560 125.705 121.223 -0.130 0.000 2.470 2843 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 2843 L C -1.728 174.999 176.870 -0.238 0.000 0.964 2843 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 2843 L CB 1.768 43.802 42.059 -0.041 0.000 1.276 2843 L HN 0.476 nan 8.230 nan 0.000 0.403 2844 F N 4.865 124.819 119.950 0.006 0.000 2.388 2844 F HA 0.525 5.051 4.527 -0.000 0.000 0.358 2844 F C 0.207 176.007 175.800 0.001 0.000 1.122 2844 F CA -0.240 57.761 58.000 0.002 0.000 1.056 2844 F CB 1.435 40.435 39.000 0.001 0.000 1.155 2844 F HN 0.575 nan 8.300 nan 0.000 0.461 2845 C N 4.695 124.066 119.300 0.118 0.000 2.376 2845 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 2845 C C 1.502 176.540 174.990 0.079 0.000 1.229 2845 C CA -0.377 58.686 59.018 0.075 0.000 1.867 2845 C CB 1.183 28.938 27.740 0.024 0.000 2.319 2845 C HN 0.946 nan 8.230 nan 0.000 0.515 2846 Q N 2.833 122.668 119.800 0.059 0.000 2.062 2846 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 2846 Q C 1.106 177.125 176.000 0.030 0.000 0.967 2846 Q CA 1.480 57.311 55.803 0.046 0.000 0.832 2846 Q CB 0.132 28.890 28.738 0.033 0.000 0.899 2846 Q HN 0.696 nan 8.270 nan 0.000 0.442 2847 K N -0.294 120.118 120.400 0.021 0.000 2.894 2847 K HA 0.301 4.621 4.320 -0.000 0.000 0.325 2847 K C 0.584 177.186 176.600 0.004 0.000 0.984 2847 K CA 0.212 56.505 56.287 0.010 0.000 1.266 2847 K CB -0.895 31.609 32.500 0.006 0.000 1.423 2847 K HN 0.169 nan 8.250 nan 0.000 0.614 2848 G N 0.231 109.028 108.800 -0.005 0.000 2.504 2848 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 2848 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 2848 G C -0.557 174.328 174.900 -0.025 0.000 1.182 2848 G CA -0.582 44.508 45.100 -0.016 0.000 0.894 2848 G HN 0.300 nan 8.290 nan 0.000 0.521 2849 I N 1.131 121.677 120.570 -0.040 0.000 2.439 2849 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 2849 I C -0.343 175.722 176.117 -0.085 0.000 1.023 2849 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 2849 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 2849 I HN 0.450 nan 8.210 nan 0.000 0.445 2850 D N 5.010 125.352 120.400 -0.097 0.000 2.449 2850 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 2850 D C 0.638 176.811 176.300 -0.213 0.000 1.149 2850 D CA 0.279 54.201 54.000 -0.130 0.000 0.878 2850 D CB 1.277 42.005 40.800 -0.120 0.000 1.198 2850 D HN 0.476 nan 8.370 nan 0.000 0.446 2851 D N 2.478 122.728 120.400 -0.250 0.000 2.133 2851 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 2851 D C 1.757 177.560 176.300 -0.828 0.000 0.997 2851 D CA 0.689 54.434 54.000 -0.424 0.000 0.840 2851 D CB -0.104 40.505 40.800 -0.319 0.000 0.947 2851 D HN 0.339 nan 8.370 nan 0.000 0.452 2852 L N 0.807 121.648 121.223 -0.637 0.000 2.042 2852 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 2852 L C 2.134 178.533 176.870 -0.785 0.000 1.076 2852 L CA 1.753 56.166 54.840 -0.713 0.000 0.749 2852 L CB -0.753 41.040 42.059 -0.443 0.000 0.893 2852 L HN -0.010 nan 8.230 nan 0.000 0.432 2853 A N -1.253 121.281 122.820 -0.477 0.000 1.902 2853 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 2853 A C 2.162 179.628 177.584 -0.195 0.000 1.181 2853 A CA 1.797 53.667 52.037 -0.278 0.000 0.623 2853 A CB -0.554 18.362 19.000 -0.140 0.000 0.818 2853 A HN 0.656 nan 8.150 nan 0.000 0.443 2854 Q N -1.000 118.660 119.800 -0.233 0.000 2.096 2854 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 2854 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 2854 Q CA 1.836 57.567 55.803 -0.119 0.000 0.850 2854 Q CB -0.412 28.250 28.738 -0.126 0.000 0.901 2854 Q HN 0.897 nan 8.270 nan 0.000 0.422 2855 H N -1.104 117.888 119.070 -0.130 0.000 2.321 2855 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 2855 H C 1.722 177.102 175.328 0.087 0.000 1.087 2855 H CA 1.103 57.109 56.048 -0.069 0.000 1.319 2855 H CB 0.067 29.741 29.762 -0.146 0.000 1.379 2855 H HN 0.252 nan 8.280 nan 0.000 0.501 2856 Y N 0.775 121.144 120.300 0.114 0.000 2.200 2856 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 2856 Y C 2.549 178.468 175.900 0.032 0.000 1.137 2856 Y CA 0.489 58.623 58.100 0.056 0.000 1.163 2856 Y CB -0.884 37.596 38.460 0.034 0.000 0.988 2856 Y HN 0.140 nan 8.280 nan 0.000 0.518 2857 L N -0.523 120.805 121.223 0.174 0.000 2.042 2857 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 2857 L C 2.663 179.573 176.870 0.066 0.000 1.076 2857 L CA 1.389 56.279 54.840 0.084 0.000 0.749 2857 L CB -0.873 41.204 42.059 0.030 0.000 0.893 2857 L HN 0.194 nan 8.230 nan 0.000 0.432 2858 A N -0.044 122.822 122.820 0.078 0.000 1.898 2858 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 2858 A C 2.310 179.932 177.584 0.062 0.000 1.181 2858 A CA 1.625 53.699 52.037 0.061 0.000 0.620 2858 A CB -0.348 18.694 19.000 0.070 0.000 0.819 2858 A HN 0.312 nan 8.150 nan 0.000 0.442 2859 K N -0.289 120.167 120.400 0.093 0.000 2.209 2859 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 2859 K C 1.209 177.838 176.600 0.047 0.000 1.048 2859 K CA 1.176 57.506 56.287 0.072 0.000 0.940 2859 K CB -0.009 32.551 32.500 0.100 0.000 0.729 2859 K HN 0.400 nan 8.250 nan 0.000 0.451 2860 E N -0.306 119.926 120.200 0.053 0.000 2.489 2860 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 2860 E C 0.848 177.462 176.600 0.024 0.000 1.057 2860 E CA 0.421 56.841 56.400 0.032 0.000 0.866 2860 E CB 0.480 30.201 29.700 0.036 0.000 0.916 2860 E HN 0.456 nan 8.360 nan 0.000 0.500 2861 G N 2.125 110.940 108.800 0.025 0.000 2.225 2861 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 2861 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 2861 G C 0.306 175.212 174.900 0.011 0.000 1.024 2861 G CA 0.301 45.411 45.100 0.016 0.000 0.784 2861 G HN 0.286 nan 8.290 nan 0.000 0.507 2862 I N 0.243 120.820 120.570 0.012 0.000 2.395 2862 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 2862 I C 0.781 176.885 176.117 -0.020 0.000 1.023 2862 I CA -0.870 60.429 61.300 -0.001 0.000 1.350 2862 I CB 1.556 39.559 38.000 0.004 0.000 1.409 2862 I HN -0.125 nan 8.210 nan 0.000 0.507 2863 V N 5.991 125.879 119.914 -0.043 0.000 2.509 2863 V HA 0.668 4.788 4.120 -0.000 0.000 0.284 2863 V C 0.348 176.351 176.094 -0.152 0.000 1.047 2863 V CA -0.279 61.973 62.300 -0.081 0.000 0.952 2863 V CB 1.270 33.046 31.823 -0.077 0.000 0.988 2863 V HN 0.873 nan 8.190 nan 0.000 0.469 2864 A N 4.008 126.727 122.820 -0.168 0.000 2.454 2864 A HA 0.986 5.306 4.320 -0.000 0.000 0.302 2864 A C -0.546 176.883 177.584 -0.260 0.000 1.079 2864 A CA -0.357 51.547 52.037 -0.222 0.000 0.731 2864 A CB 1.950 20.875 19.000 -0.124 0.000 1.299 2864 A HN 1.354 nan 8.150 nan 0.000 0.413 2865 A N 1.478 124.097 122.820 -0.336 0.000 2.393 2865 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 2865 A C -0.122 177.413 177.584 -0.082 0.000 1.050 2865 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 2865 A CB 1.010 19.826 19.000 -0.306 0.000 1.248 2865 A HN 1.258 nan 8.150 nan 0.000 0.424 2866 R N 1.477 121.958 120.500 -0.031 0.000 2.875 2866 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 2866 R C -0.473 175.841 176.300 0.022 0.000 1.123 2866 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 2866 R CB 0.493 30.779 30.300 -0.022 0.000 1.205 2866 R HN 0.490 nan 8.270 nan 0.000 0.503 2867 R N -0.552 119.959 120.500 0.019 0.000 3.405 2867 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 2867 R C -0.670 175.651 176.300 0.035 0.000 1.030 2867 R CA 0.564 56.676 56.100 0.020 0.000 0.691 2867 R CB -2.547 27.759 30.300 0.010 0.000 1.093 2867 R HN 0.509 nan 8.270 nan 0.000 0.448 2868 V N 1.046 120.993 119.914 0.055 0.000 2.686 2868 V HA 0.085 4.205 4.120 -0.000 0.000 0.295 2868 V C 1.470 177.585 176.094 0.035 0.000 1.055 2868 V CA -0.309 62.031 62.300 0.066 0.000 1.050 2868 V CB 1.395 33.286 31.823 0.112 0.000 0.984 2868 V HN 0.175 nan 8.190 nan 0.000 0.482 2869 K N 3.367 123.780 120.400 0.022 0.000 2.414 2869 K HA 0.023 4.343 4.320 -0.000 0.000 0.272 2869 K C 1.346 177.949 176.600 0.004 0.000 0.993 2869 K CA -0.241 56.051 56.287 0.009 0.000 0.964 2869 K CB 0.365 32.865 32.500 0.001 0.000 0.925 2869 K HN 0.620 nan 8.250 nan 0.000 0.487 2870 K N 1.851 122.253 120.400 0.003 0.000 2.057 2870 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 2870 K C 1.531 178.126 176.600 -0.008 0.000 1.049 2870 K CA 1.811 58.098 56.287 -0.000 0.000 0.931 2870 K CB -0.131 32.370 32.500 0.001 0.000 0.714 2870 K HN 0.600 nan 8.250 nan 0.000 0.440 2871 S N 1.516 117.210 115.700 -0.010 0.000 2.399 2871 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 2871 S C 1.340 175.925 174.600 -0.026 0.000 1.022 2871 S CA 1.346 59.536 58.200 -0.016 0.000 0.983 2871 S CB -0.185 63.006 63.200 -0.014 0.000 0.803 2871 S HN 0.343 nan 8.310 nan 0.000 0.480 2872 D N 1.118 121.502 120.400 -0.027 0.000 2.144 2872 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 2872 D C 1.865 178.125 176.300 -0.066 0.000 0.978 2872 D CA 0.724 54.697 54.000 -0.046 0.000 0.833 2872 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 2872 D HN 0.242 nan 8.370 nan 0.000 0.470 2873 M N 0.541 120.116 119.600 -0.042 0.000 2.149 2873 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 2873 M C 1.878 178.147 176.300 -0.052 0.000 1.064 2873 M CA 1.299 56.573 55.300 -0.042 0.000 1.102 2873 M CB -0.814 31.782 32.600 -0.008 0.000 1.369 2873 M HN 0.122 nan 8.290 nan 0.000 0.408 2874 E N -0.200 119.976 120.200 -0.040 0.000 2.107 2874 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 2874 E C 2.069 178.640 176.600 -0.048 0.000 0.982 2874 E CA 0.787 57.165 56.400 -0.036 0.000 0.809 2874 E CB 0.015 29.700 29.700 -0.025 0.000 0.756 2874 E HN 0.492 nan 8.360 nan 0.000 0.459 2875 K N 0.574 120.940 120.400 -0.058 0.000 2.097 2875 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 2875 K C 2.146 178.690 176.600 -0.095 0.000 1.050 2875 K CA 0.707 56.954 56.287 -0.066 0.000 0.938 2875 K CB -0.010 32.451 32.500 -0.065 0.000 0.718 2875 K HN 0.112 nan 8.250 nan 0.000 0.442 2876 L N 0.324 121.467 121.223 -0.134 0.000 2.093 2876 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 2876 L C 2.525 179.309 176.870 -0.142 0.000 1.085 2876 L CA 0.922 55.640 54.840 -0.203 0.000 0.755 2876 L CB -0.478 41.382 42.059 -0.333 0.000 0.904 2876 L HN 0.194 nan 8.230 nan 0.000 0.435 2877 A N 0.221 122.985 122.820 -0.093 0.000 1.873 2877 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 2877 A C 2.319 179.878 177.584 -0.042 0.000 1.186 2877 A CA 1.562 53.566 52.037 -0.054 0.000 0.616 2877 A CB -0.303 18.677 19.000 -0.035 0.000 0.823 2877 A HN 0.280 nan 8.150 nan 0.000 0.442 2878 K N -0.251 120.124 120.400 -0.042 0.000 2.009 2878 K HA -0.096 4.224 4.320 -0.000 0.000 0.210 2878 K C 2.388 178.970 176.600 -0.030 0.000 1.049 2878 K CA 1.281 57.550 56.287 -0.030 0.000 0.929 2878 K CB -0.371 32.111 32.500 -0.029 0.000 0.714 2878 K HN 0.435 nan 8.250 nan 0.000 0.440 2879 A N 0.890 123.682 122.820 -0.047 0.000 1.832 2879 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 2879 A C 2.292 179.854 177.584 -0.036 0.000 1.200 2879 A CA 2.135 54.145 52.037 -0.044 0.000 0.610 2879 A CB -1.094 17.866 19.000 -0.067 0.000 0.842 2879 A HN 0.268 nan 8.150 nan 0.000 0.444 2880 T N -0.871 113.650 114.554 -0.055 0.000 2.951 2880 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 2880 T C 1.321 176.014 174.700 -0.012 0.000 1.073 2880 T CA 1.467 63.545 62.100 -0.037 0.000 1.134 2880 T CB -0.356 68.477 68.868 -0.059 0.000 0.884 2880 T HN 1.638 nan 8.240 nan 0.000 0.479 2881 G N 1.419 110.210 108.800 -0.015 0.000 2.182 2881 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 2881 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 2881 G C 0.045 174.947 174.900 0.003 0.000 1.042 2881 G CA -0.132 44.967 45.100 -0.001 0.000 0.775 2881 G HN 0.877 nan 8.290 nan 0.000 0.501 2882 A N -0.424 122.394 122.820 -0.004 0.000 2.303 2882 A HA 0.757 5.077 4.320 -0.000 0.000 0.317 2882 A C 0.186 177.773 177.584 0.004 0.000 1.149 2882 A CA -0.232 51.809 52.037 0.008 0.000 0.822 2882 A CB 0.903 19.912 19.000 0.015 0.000 1.131 2882 A HN 0.719 nan 8.150 nan 0.000 0.493 2883 N N 1.510 120.217 118.700 0.012 0.000 2.425 2883 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 2883 N C -0.806 174.713 175.510 0.014 0.000 0.991 2883 N CA -0.279 52.777 53.050 0.010 0.000 0.931 2883 N CB 1.168 39.662 38.487 0.011 0.000 1.130 2883 N HN 0.289 nan 8.380 nan 0.000 0.493 2884 V N 4.880 124.800 119.914 0.010 0.000 2.485 2884 V HA 0.133 4.253 4.120 -0.000 0.000 0.287 2884 V C 0.456 176.559 176.094 0.015 0.000 1.022 2884 V CA 0.006 62.314 62.300 0.014 0.000 1.067 2884 V CB -0.129 31.699 31.823 0.008 0.000 0.967 2884 V HN 0.529 nan 8.190 nan 0.000 0.479 2885 I N 4.792 125.374 120.570 0.019 0.000 2.530 2885 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 2885 I C 1.279 177.406 176.117 0.017 0.000 1.011 2885 I CA -0.230 61.080 61.300 0.017 0.000 1.107 2885 I CB 2.023 40.034 38.000 0.019 0.000 1.285 2885 I HN 0.773 nan 8.210 nan 0.000 0.436 2886 T N 1.936 116.499 114.554 0.014 0.000 2.755 2886 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 2886 T C 0.830 175.538 174.700 0.014 0.000 1.044 2886 T CA 0.415 62.523 62.100 0.013 0.000 1.154 2886 T CB -0.098 68.776 68.868 0.011 0.000 0.866 2886 T HN 0.441 nan 8.240 nan 0.000 0.416 2887 N N 0.840 119.548 118.700 0.013 0.000 2.438 2887 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 2887 N C 0.665 176.184 175.510 0.015 0.000 1.037 2887 N CA -0.720 52.338 53.050 0.014 0.000 0.942 2887 N CB 1.370 39.864 38.487 0.012 0.000 1.136 2887 N HN 0.174 nan 8.380 nan 0.000 0.481 2888 I N 3.675 124.254 120.570 0.016 0.000 2.335 2888 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 2888 I C 1.817 177.944 176.117 0.015 0.000 1.129 2888 I CA 1.460 62.770 61.300 0.017 0.000 1.402 2888 I CB 0.051 38.062 38.000 0.018 0.000 1.069 2888 I HN 0.489 nan 8.210 nan 0.000 0.424 2889 K N 0.348 120.756 120.400 0.013 0.000 2.152 2889 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 2889 K C 1.629 178.236 176.600 0.011 0.000 1.048 2889 K CA 1.526 57.821 56.287 0.012 0.000 0.933 2889 K CB -0.573 31.934 32.500 0.011 0.000 0.721 2889 K HN 0.426 nan 8.250 nan 0.000 0.447 2890 D N 0.375 120.782 120.400 0.012 0.000 2.289 2890 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 2890 D C 0.595 176.902 176.300 0.013 0.000 0.966 2890 D CA -0.059 53.948 54.000 0.011 0.000 0.868 2890 D CB -0.163 40.643 40.800 0.011 0.000 0.943 2890 D HN -0.021 nan 8.370 nan 0.000 0.514 2891 L N 1.337 122.569 121.223 0.015 0.000 2.559 2891 L HA 0.030 4.370 4.340 -0.000 0.000 0.282 2891 L C 0.377 177.256 176.870 0.015 0.000 1.232 2891 L CA 0.399 55.249 54.840 0.017 0.000 0.885 2891 L CB 0.274 42.345 42.059 0.019 0.000 1.131 2891 L HN -0.002 nan 8.230 nan 0.000 0.498 2892 S N 2.821 118.530 115.700 0.015 0.000 2.651 2892 S HA 0.760 5.230 4.470 -0.000 0.000 0.279 2892 S C 0.608 175.217 174.600 0.016 0.000 1.148 2892 S CA -0.389 57.819 58.200 0.014 0.000 0.837 2892 S CB 1.131 64.339 63.200 0.012 0.000 1.138 2892 S HN 0.838 nan 8.310 nan 0.000 0.478 2893 A N 0.597 123.426 122.820 0.015 0.000 1.978 2893 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 2893 A C 1.985 179.579 177.584 0.017 0.000 1.170 2893 A CA 1.414 53.461 52.037 0.016 0.000 0.636 2893 A CB -0.907 18.102 19.000 0.014 0.000 0.810 2893 A HN 0.730 nan 8.150 nan 0.000 0.448 2894 Q N 0.155 119.964 119.800 0.015 0.000 2.364 2894 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 2894 Q C 0.614 176.624 176.000 0.016 0.000 0.970 2894 Q CA 1.189 57.001 55.803 0.015 0.000 0.888 2894 Q CB -0.269 28.477 28.738 0.012 0.000 0.951 2894 Q HN 0.683 nan 8.270 nan 0.000 0.469 2895 D N -0.261 120.149 120.400 0.017 0.000 2.354 2895 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 2895 D C 0.592 176.906 176.300 0.023 0.000 1.015 2895 D CA 0.037 54.048 54.000 0.018 0.000 0.867 2895 D CB 0.574 41.385 40.800 0.019 0.000 0.933 2895 D HN 0.200 nan 8.370 nan 0.000 0.520 2896 L N 0.906 122.143 121.223 0.025 0.000 2.461 2896 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 2896 L C 1.215 178.103 176.870 0.028 0.000 1.197 2896 L CA -0.170 54.688 54.840 0.030 0.000 0.836 2896 L CB 0.836 42.913 42.059 0.030 0.000 1.105 2896 L HN -0.092 nan 8.230 nan 0.000 0.477 2897 G N 0.998 109.818 108.800 0.034 0.000 2.509 2897 G HA2 0.483 4.443 3.960 -0.000 0.000 0.328 2897 G HA3 0.483 4.443 3.960 -0.000 0.000 0.328 2897 G C -1.359 173.561 174.900 0.033 0.000 1.194 2897 G CA -0.482 44.636 45.100 0.029 0.000 0.967 2897 G HN 0.536 nan 8.290 nan 0.000 0.488 2898 D N -0.187 120.230 120.400 0.028 0.000 2.498 2898 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 2898 D C -0.459 175.856 176.300 0.026 0.000 1.070 2898 D CA -0.026 53.990 54.000 0.027 0.000 0.842 2898 D CB 2.152 42.965 40.800 0.020 0.000 1.361 2898 D HN 0.573 nan 8.370 nan 0.000 0.484 2899 A N 0.531 123.370 122.820 0.032 0.000 2.398 2899 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 2899 A C 0.948 178.550 177.584 0.029 0.000 1.041 2899 A CA -0.540 51.517 52.037 0.034 0.000 0.711 2899 A CB 1.647 20.679 19.000 0.054 0.000 1.240 2899 A HN 0.521 nan 8.150 nan 0.000 0.420 2900 G N 0.471 109.282 108.800 0.020 0.000 2.443 2900 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 2900 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 2900 G C 0.223 175.137 174.900 0.023 0.000 1.131 2900 G CA 1.531 46.639 45.100 0.013 0.000 0.775 2900 G HN 1.110 nan 8.290 nan 0.000 0.547 2901 L N -0.315 120.931 121.223 0.039 0.000 2.549 2901 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 2901 L C -1.530 175.386 176.870 0.077 0.000 0.934 2901 L CA -0.734 54.135 54.840 0.048 0.000 0.865 2901 L CB 2.450 44.532 42.059 0.038 0.000 1.352 2901 L HN -0.160 nan 8.230 nan 0.000 0.410 2902 V N 4.133 124.093 119.914 0.078 0.000 2.443 2902 V HA 0.694 4.814 4.120 -0.000 0.000 0.293 2902 V C -0.614 175.537 176.094 0.094 0.000 1.021 2902 V CA -0.420 61.942 62.300 0.104 0.000 0.848 2902 V CB 1.534 33.418 31.823 0.101 0.000 0.998 2902 V HN 0.820 nan 8.190 nan 0.000 0.424 2903 E N 3.115 123.393 120.200 0.130 0.000 2.343 2903 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 2903 E C -1.138 175.559 176.600 0.161 0.000 0.910 2903 E CA -0.685 55.777 56.400 0.103 0.000 0.757 2903 E CB 2.356 32.085 29.700 0.048 0.000 1.218 2903 E HN 0.743 nan 8.360 nan 0.000 0.435 2904 E N 3.941 124.206 120.200 0.109 0.000 2.152 2904 E HA 0.240 4.590 4.350 -0.000 0.000 0.285 2904 E C -0.883 175.776 176.600 0.099 0.000 1.043 2904 E CA -0.233 56.241 56.400 0.124 0.000 0.839 2904 E CB 0.715 30.460 29.700 0.075 0.000 1.069 2904 E HN 0.329 nan 8.360 nan 0.000 0.399 2905 R N 3.448 124.051 120.500 0.172 0.000 2.740 2905 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 2905 R C -1.018 175.365 176.300 0.138 0.000 0.969 2905 R CA -1.108 55.038 56.100 0.077 0.000 0.918 2905 R CB 1.537 31.740 30.300 -0.162 0.000 1.175 2905 R HN 0.256 nan 8.270 nan 0.000 0.464 2906 K N 2.144 122.584 120.400 0.067 0.000 2.227 2906 K HA 0.389 4.709 4.320 -0.000 0.000 0.280 2906 K C -0.526 176.121 176.600 0.077 0.000 1.041 2906 K CA -0.119 56.211 56.287 0.071 0.000 0.905 2906 K CB 0.834 33.357 32.500 0.039 0.000 1.068 2906 K HN 0.311 nan 8.250 nan 0.000 0.470 2907 I N 2.283 122.915 120.570 0.103 0.000 2.439 2907 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 2907 I C 0.195 176.351 176.117 0.065 0.000 1.023 2907 I CA -0.361 60.998 61.300 0.098 0.000 1.100 2907 I CB 1.181 39.276 38.000 0.158 0.000 1.238 2907 I HN 0.723 nan 8.210 nan 0.000 0.445 2908 S N 4.577 120.305 115.700 0.046 0.000 3.682 2908 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 2908 S C 1.406 176.025 174.600 0.031 0.000 1.034 2908 S CA 1.622 59.842 58.200 0.034 0.000 1.084 2908 S CB -1.038 62.181 63.200 0.033 0.000 0.903 2908 S HN 1.580 nan 8.310 nan 0.000 0.470 2909 G N 0.132 108.951 108.800 0.031 0.000 2.550 2909 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 2909 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 2909 G C -0.204 174.717 174.900 0.034 0.000 1.170 2909 G CA 0.367 45.484 45.100 0.028 0.000 0.693 2909 G HN 0.723 nan 8.290 nan 0.000 0.512 2910 D N 1.852 122.275 120.400 0.038 0.000 2.443 2910 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 2910 D C 1.022 177.356 176.300 0.056 0.000 1.136 2910 D CA 0.873 54.897 54.000 0.040 0.000 0.879 2910 D CB 1.261 42.082 40.800 0.034 0.000 1.195 2910 D HN 0.709 nan 8.370 nan 0.000 0.443 2911 S N 1.942 117.673 115.700 0.051 0.000 2.523 2911 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 2911 S C 0.023 174.664 174.600 0.069 0.000 1.281 2911 S CA -0.717 57.523 58.200 0.067 0.000 1.050 2911 S CB 0.768 63.999 63.200 0.051 0.000 0.937 2911 S HN 0.384 nan 8.310 nan 0.000 0.492 2912 M N 2.708 122.374 119.600 0.110 0.000 2.575 2912 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 2912 M C -1.301 175.071 176.300 0.119 0.000 1.253 2912 M CA -0.869 54.470 55.300 0.065 0.000 0.861 2912 M CB 1.968 34.570 32.600 0.003 0.000 1.733 2912 M HN 0.432 nan 8.290 nan 0.000 0.462 2913 I N 1.675 122.254 120.570 0.014 0.000 2.412 2913 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 2913 I C -1.105 174.975 176.117 -0.061 0.000 0.987 2913 I CA -0.365 60.988 61.300 0.087 0.000 1.180 2913 I CB 0.990 39.050 38.000 0.098 0.000 1.340 2913 I HN 0.530 nan 8.210 nan 0.000 0.455 2914 F N 4.769 124.747 119.950 0.046 0.000 2.426 2914 F HA 0.418 4.945 4.527 0.000 0.000 0.348 2914 F C 0.215 176.040 175.800 0.042 0.000 1.124 2914 F CA -0.767 57.255 58.000 0.036 0.000 1.008 2914 F CB 1.792 40.806 39.000 0.024 0.000 1.139 2914 F HN -0.006 nan 8.300 nan 0.000 0.452 2915 V N 3.993 123.995 119.914 0.147 0.000 2.257 2915 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 2915 V C -0.485 175.668 176.094 0.098 0.000 1.040 2915 V CA -0.577 61.787 62.300 0.107 0.000 0.813 2915 V CB 0.426 32.281 31.823 0.054 0.000 1.065 2915 V HN 0.795 nan 8.190 nan 0.000 0.457 2916 E N 3.024 123.291 120.200 0.111 0.000 2.369 2916 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 2916 E C -0.652 175.977 176.600 0.049 0.000 0.909 2916 E CA -0.839 55.615 56.400 0.089 0.000 0.775 2916 E CB 1.973 31.746 29.700 0.122 0.000 1.270 2916 E HN 0.198 nan 8.360 nan 0.000 0.445 2917 E N -0.763 119.453 120.200 0.027 0.000 3.169 2917 E HA -0.129 4.221 4.350 -0.000 0.000 0.305 2917 E C -0.670 175.921 176.600 -0.014 0.000 0.912 2917 E CA 0.468 56.869 56.400 0.001 0.000 1.029 2917 E CB -2.464 27.238 29.700 0.003 0.000 1.514 2917 E HN 0.632 nan 8.360 nan 0.000 0.412 2918 C N 1.263 120.557 119.300 -0.009 0.000 2.679 2918 C HA 0.048 4.508 4.460 -0.000 0.000 0.417 2918 C C 2.292 177.239 174.990 -0.071 0.000 1.302 2918 C CA 0.098 59.103 59.018 -0.021 0.000 1.973 2918 C CB 0.280 28.017 27.740 -0.005 0.000 2.715 2918 C HN 0.355 nan 8.230 nan 0.000 0.628 2919 K N 1.155 121.499 120.400 -0.093 0.000 1.969 2919 K HA -0.114 4.206 4.320 -0.000 0.000 0.223 2919 K C 0.444 176.790 176.600 -0.425 0.000 1.048 2919 K CA 1.413 57.559 56.287 -0.235 0.000 0.983 2919 K CB -0.123 32.297 32.500 -0.134 0.000 0.738 2919 K HN 0.696 nan 8.250 nan 0.000 0.446 2920 H N 0.805 119.880 119.070 0.008 0.000 2.423 2920 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 2920 H C -2.368 172.963 175.328 0.004 0.000 1.391 2920 H CA -1.966 54.086 56.048 0.006 0.000 1.453 2920 H CB 0.428 30.193 29.762 0.005 0.000 1.484 2920 H HN 0.256 nan 8.280 nan 0.000 0.505 2921 P HA 0.055 nan 4.420 nan 0.000 0.268 2921 P C 0.691 178.018 177.300 0.046 0.000 1.205 2921 P CA -0.428 62.697 63.100 0.042 0.000 0.771 2921 P CB 1.743 33.456 31.700 0.020 0.000 0.858 2922 K N 0.460 120.877 120.400 0.029 0.000 2.358 2922 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 2922 K C 0.443 177.048 176.600 0.007 0.000 1.025 2922 K CA -0.018 56.281 56.287 0.019 0.000 1.104 2922 K CB 0.614 33.122 32.500 0.014 0.000 0.855 2922 K HN 0.558 nan 8.250 nan 0.000 0.531 2923 A N 1.090 123.912 122.820 0.003 0.000 2.408 2923 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 2923 A C -0.462 177.119 177.584 -0.004 0.000 1.040 2923 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 2923 A CB 1.290 20.278 19.000 -0.019 0.000 1.235 2923 A HN -0.052 nan 8.150 nan 0.000 0.418 2924 V N -0.461 119.451 119.914 -0.002 0.000 2.960 2924 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 2924 V C -0.295 175.797 176.094 -0.004 0.000 1.087 2924 V CA -0.579 61.723 62.300 0.002 0.000 0.982 2924 V CB 1.665 33.494 31.823 0.011 0.000 1.039 2924 V HN 0.805 nan 8.190 nan 0.000 0.437 2925 T N 3.731 118.285 114.554 -0.000 0.000 2.863 2925 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 2925 T C -0.530 174.177 174.700 0.012 0.000 1.009 2925 T CA -0.288 61.808 62.100 -0.006 0.000 0.989 2925 T CB 1.552 70.401 68.868 -0.031 0.000 1.004 2925 T HN 0.920 nan 8.240 nan 0.000 0.455 2926 M N 4.212 123.818 119.600 0.010 0.000 2.060 2926 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 2926 M C -1.114 175.200 176.300 0.023 0.000 1.031 2926 M CA -1.040 54.272 55.300 0.021 0.000 0.981 2926 M CB 0.238 32.847 32.600 0.016 0.000 1.376 2926 M HN 0.474 nan 8.290 nan 0.000 0.397 2927 L N 6.692 127.941 121.223 0.043 0.000 2.433 2927 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 2927 L C -1.123 175.775 176.870 0.047 0.000 1.128 2927 L CA 0.617 55.490 54.840 0.055 0.000 0.875 2927 L CB 0.188 42.317 42.059 0.117 0.000 1.171 2927 L HN 0.601 nan 8.230 nan 0.000 0.463 2928 I N 6.093 126.684 120.570 0.035 0.000 2.359 2928 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 2928 I C -0.038 176.098 176.117 0.031 0.000 0.987 2928 I CA -0.761 60.555 61.300 0.027 0.000 1.225 2928 I CB 0.898 38.910 38.000 0.019 0.000 1.366 2928 I HN 0.532 nan 8.210 nan 0.000 0.466 2929 R N 4.121 124.637 120.500 0.027 0.000 2.832 2929 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 2929 R C -0.361 175.948 176.300 0.014 0.000 0.996 2929 R CA -1.081 55.034 56.100 0.024 0.000 0.977 2929 R CB 1.970 32.286 30.300 0.026 0.000 1.168 2929 R HN 0.877 nan 8.270 nan 0.000 0.482 2930 G N -0.937 107.871 108.800 0.013 0.000 2.519 2930 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 2930 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 2930 G C 0.213 175.118 174.900 0.009 0.000 1.507 2930 G CA -0.232 44.872 45.100 0.006 0.000 0.806 2930 G HN 0.444 nan 8.290 nan 0.000 0.523 2931 T N -2.235 112.321 114.554 0.004 0.000 3.155 2931 T HA 0.300 4.650 4.350 -0.000 0.000 0.264 2931 T C 0.836 175.543 174.700 0.013 0.000 1.160 2931 T CA 1.462 63.566 62.100 0.006 0.000 1.075 2931 T CB -0.091 68.778 68.868 0.001 0.000 0.921 2931 T HN 0.690 nan 8.240 nan 0.000 0.533 2932 T N 0.227 114.792 114.554 0.017 0.000 2.885 2932 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 2932 T C 0.296 175.022 174.700 0.043 0.000 1.387 2932 T CA -0.657 61.463 62.100 0.032 0.000 1.041 2932 T CB 2.390 71.282 68.868 0.040 0.000 1.287 2932 T HN 0.004 nan 8.240 nan 0.000 0.491 2933 E N 0.907 121.141 120.200 0.056 0.000 2.038 2933 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 2933 E C 1.659 178.325 176.600 0.110 0.000 1.000 2933 E CA 2.031 58.469 56.400 0.064 0.000 0.803 2933 E CB -0.205 29.524 29.700 0.050 0.000 0.750 2933 E HN 0.756 nan 8.360 nan 0.000 0.448 2934 H N -0.957 118.114 119.070 0.001 0.000 2.422 2934 H HA -0.087 4.469 4.556 0.000 0.000 0.298 2934 H C 1.825 177.153 175.328 0.000 0.000 1.098 2934 H CA 1.145 57.194 56.048 0.001 0.000 1.315 2934 H CB 0.339 30.100 29.762 -0.000 0.000 1.382 2934 H HN 0.115 nan 8.280 nan 0.000 0.523 2935 V N 1.784 121.697 119.914 -0.001 0.000 2.283 2935 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 2935 V C 2.625 178.698 176.094 -0.034 0.000 1.039 2935 V CA 1.804 64.057 62.300 -0.079 0.000 1.016 2935 V CB -0.425 31.370 31.823 -0.047 0.000 0.650 2935 V HN 0.553 nan 8.190 nan 0.000 0.449 2936 I N -1.154 119.419 120.570 0.005 0.000 2.493 2936 I HA -0.172 3.998 4.170 -0.000 0.000 0.254 2936 I C 2.283 178.413 176.117 0.021 0.000 1.160 2936 I CA 1.951 63.259 61.300 0.012 0.000 1.445 2936 I CB -0.554 37.458 38.000 0.021 0.000 1.086 2936 I HN 0.389 nan 8.210 nan 0.000 0.433 2937 E N 1.502 121.728 120.200 0.043 0.000 2.072 2937 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 2937 E C 2.034 178.661 176.600 0.045 0.000 0.985 2937 E CA 1.078 57.514 56.400 0.061 0.000 0.801 2937 E CB 0.098 29.868 29.700 0.117 0.000 0.750 2937 E HN 0.490 nan 8.360 nan 0.000 0.452 2938 E N 0.213 120.424 120.200 0.019 0.000 2.152 2938 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 2938 E C 2.256 178.847 176.600 -0.014 0.000 0.983 2938 E CA 0.651 57.043 56.400 -0.013 0.000 0.818 2938 E CB 0.012 29.656 29.700 -0.094 0.000 0.758 2938 E HN 0.205 nan 8.360 nan 0.000 0.467 2939 V N 1.643 121.547 119.914 -0.016 0.000 2.407 2939 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 2939 V C 2.446 178.542 176.094 0.002 0.000 1.055 2939 V CA 1.704 63.999 62.300 -0.009 0.000 1.049 2939 V CB -0.799 31.019 31.823 -0.008 0.000 0.662 2939 V HN 0.226 nan 8.190 nan 0.000 0.455 2940 A N 0.108 122.933 122.820 0.008 0.000 1.877 2940 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 2940 A C 2.417 180.009 177.584 0.012 0.000 1.186 2940 A CA 2.049 54.093 52.037 0.011 0.000 0.620 2940 A CB -0.578 18.431 19.000 0.015 0.000 0.822 2940 A HN 0.479 nan 8.150 nan 0.000 0.443 2941 R N -0.359 120.150 120.500 0.015 0.000 2.091 2941 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 2941 R C 2.278 178.587 176.300 0.014 0.000 1.136 2941 R CA 1.477 57.587 56.100 0.016 0.000 0.959 2941 R CB -0.419 29.894 30.300 0.022 0.000 0.856 2941 R HN 0.442 nan 8.270 nan 0.000 0.437 2942 A N 0.166 122.992 122.820 0.010 0.000 1.908 2942 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 2942 A C 2.227 179.818 177.584 0.012 0.000 1.181 2942 A CA 1.671 53.714 52.037 0.011 0.000 0.627 2942 A CB -0.448 18.555 19.000 0.004 0.000 0.818 2942 A HN 0.243 nan 8.150 nan 0.000 0.445 2943 V N 0.417 120.337 119.914 0.010 0.000 2.453 2943 V HA -0.182 3.937 4.120 -0.000 0.000 0.247 2943 V C 2.042 178.142 176.094 0.010 0.000 1.048 2943 V CA 2.016 64.322 62.300 0.010 0.000 1.049 2943 V CB -0.792 31.036 31.823 0.009 0.000 0.672 2943 V HN 0.465 nan 8.190 nan 0.000 0.457 2944 D N 0.322 120.728 120.400 0.010 0.000 2.149 2944 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 2944 D C 1.852 178.158 176.300 0.011 0.000 0.990 2944 D CA 1.426 55.432 54.000 0.010 0.000 0.839 2944 D CB -0.219 40.587 40.800 0.010 0.000 0.948 2944 D HN 0.427 nan 8.370 nan 0.000 0.460 2945 D N 0.061 120.469 120.400 0.013 0.000 2.120 2945 D HA -0.007 4.633 4.640 -0.000 0.000 0.202 2945 D C 2.070 178.378 176.300 0.013 0.000 0.972 2945 D CA 1.165 55.174 54.000 0.014 0.000 0.837 2945 D CB -0.363 40.448 40.800 0.018 0.000 0.989 2945 D HN 0.115 nan 8.370 nan 0.000 0.469 2946 A N 0.764 123.593 122.820 0.014 0.000 1.908 2946 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 2946 A C 2.507 180.098 177.584 0.012 0.000 1.181 2946 A CA 1.336 53.382 52.037 0.014 0.000 0.627 2946 A CB -0.845 18.163 19.000 0.014 0.000 0.818 2946 A HN 0.142 nan 8.150 nan 0.000 0.445 2947 V N -0.077 119.843 119.914 0.010 0.000 2.343 2947 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 2947 V C 2.794 178.893 176.094 0.008 0.000 1.051 2947 V CA 1.966 64.272 62.300 0.009 0.000 1.036 2947 V CB -1.432 30.396 31.823 0.008 0.000 0.654 2947 V HN 0.634 nan 8.190 nan 0.000 0.451 2948 G N -0.245 108.560 108.800 0.008 0.000 2.433 2948 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 2948 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 2948 G C 1.635 176.540 174.900 0.007 0.000 1.186 2948 G CA 1.313 46.418 45.100 0.007 0.000 0.779 2948 G HN 0.405 nan 8.290 nan 0.000 0.543 2949 V N 0.342 120.261 119.914 0.008 0.000 2.548 2949 V HA -0.095 4.025 4.120 -0.000 0.000 0.249 2949 V C 2.968 179.066 176.094 0.008 0.000 1.055 2949 V CA 1.078 63.382 62.300 0.008 0.000 1.065 2949 V CB -0.024 31.805 31.823 0.009 0.000 0.681 2949 V HN 0.227 nan 8.190 nan 0.000 0.462 2950 V N 1.168 121.087 119.914 0.008 0.000 2.427 2950 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 2950 V C 2.602 178.701 176.094 0.007 0.000 1.051 2950 V CA 2.128 64.433 62.300 0.008 0.000 1.048 2950 V CB -1.220 30.609 31.823 0.009 0.000 0.666 2950 V HN 0.603 nan 8.190 nan 0.000 0.456 2951 G N -1.369 107.435 108.800 0.006 0.000 2.402 2951 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 2951 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 2951 G C 1.758 176.660 174.900 0.005 0.000 1.162 2951 G CA 1.215 46.318 45.100 0.005 0.000 0.777 2951 G HN 0.518 nan 8.290 nan 0.000 0.539 2952 C N 0.484 119.787 119.300 0.005 0.000 2.413 2952 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 2952 C C 3.232 178.225 174.990 0.005 0.000 1.248 2952 C CA 1.624 60.644 59.018 0.005 0.000 1.742 2952 C CB -0.932 26.811 27.740 0.005 0.000 2.017 2952 C HN 0.424 nan 8.230 nan 0.000 0.481 2953 T N 0.537 115.094 114.554 0.005 0.000 2.951 2953 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 2953 T C 1.516 176.219 174.700 0.005 0.000 1.073 2953 T CA 0.909 63.012 62.100 0.005 0.000 1.134 2953 T CB -0.186 68.686 68.868 0.006 0.000 0.884 2953 T HN 0.328 nan 8.240 nan 0.000 0.479 2954 I N 1.151 121.724 120.570 0.005 0.000 2.500 2954 I HA -0.006 4.164 4.170 -0.000 0.000 0.252 2954 I C 2.248 178.367 176.117 0.003 0.000 1.142 2954 I CA 1.224 62.527 61.300 0.004 0.000 1.451 2954 I CB -0.191 37.812 38.000 0.004 0.000 1.093 2954 I HN 0.257 nan 8.210 nan 0.000 0.430 2955 E N -0.737 119.465 120.200 0.003 0.000 2.140 2955 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 2955 E C 0.207 176.809 176.600 0.003 0.000 0.973 2955 E CA 0.497 56.898 56.400 0.003 0.000 0.829 2955 E CB 0.254 29.956 29.700 0.003 0.000 0.781 2955 E HN 0.226 nan 8.360 nan 0.000 0.466 2956 D N -0.485 119.917 120.400 0.004 0.000 2.446 2956 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 2956 D C 0.280 176.583 176.300 0.005 0.000 1.137 2956 D CA -0.392 53.611 54.000 0.004 0.000 0.890 2956 D CB 1.136 41.938 40.800 0.005 0.000 1.071 2956 D HN 0.045 nan 8.370 nan 0.000 0.528 2957 G N 3.107 111.910 108.800 0.005 0.000 3.194 2957 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 2957 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 2957 G C 0.501 175.404 174.900 0.006 0.000 1.240 2957 G CA 0.063 45.166 45.100 0.005 0.000 1.044 2957 G HN 0.245 nan 8.290 nan 0.000 0.495 2958 R N -0.387 120.116 120.500 0.006 0.000 2.637 2958 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 2958 R C 0.102 176.406 176.300 0.007 0.000 0.963 2958 R CA -0.638 55.466 56.100 0.007 0.000 0.901 2958 R CB 1.698 32.002 30.300 0.008 0.000 1.160 2958 R HN 0.323 nan 8.270 nan 0.000 0.457 2959 I N -1.876 118.698 120.570 0.007 0.000 3.145 2959 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 2959 I C -1.138 174.984 176.117 0.008 0.000 1.122 2959 I CA -1.317 59.987 61.300 0.007 0.000 0.987 2959 I CB 2.476 40.479 38.000 0.006 0.000 1.236 2959 I HN 0.325 nan 8.210 nan 0.000 0.453 2960 V N 1.529 121.446 119.914 0.006 0.000 3.077 2960 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 2960 V C -0.342 175.754 176.094 0.003 0.000 1.276 2960 V CA -0.269 62.035 62.300 0.007 0.000 0.993 2960 V CB 2.605 34.431 31.823 0.006 0.000 1.076 2960 V HN 0.993 nan 8.190 nan 0.000 0.434 2961 S N 3.483 119.187 115.700 0.008 0.000 2.560 2961 S HA 0.504 4.974 4.470 -0.000 0.000 0.284 2961 S C 0.569 175.159 174.600 -0.017 0.000 1.327 2961 S CA 0.377 58.578 58.200 0.002 0.000 1.055 2961 S CB 1.239 64.451 63.200 0.021 0.000 0.868 2961 S HN 1.229 nan 8.310 nan 0.000 0.506 2962 G N 0.621 109.404 108.800 -0.028 0.000 2.945 2962 G HA2 0.522 4.482 3.960 -0.000 0.000 0.156 2962 G HA3 0.522 4.482 3.960 -0.000 0.000 0.156 2962 G C 0.889 175.755 174.900 -0.057 0.000 1.375 2962 G CA -0.197 44.876 45.100 -0.044 0.000 1.039 2962 G HN 1.526 nan 8.290 nan 0.000 0.586 2963 G N -1.501 107.257 108.800 -0.069 0.000 2.258 2963 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 2963 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 2963 G C 1.413 176.266 174.900 -0.079 0.000 1.021 2963 G CA 1.253 46.306 45.100 -0.077 0.000 0.798 2963 G HN 2.421 nan 8.290 nan 0.000 0.507 2964 G N -1.458 107.295 108.800 -0.078 0.000 2.160 2964 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 2964 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 2964 G C 1.331 176.163 174.900 -0.113 0.000 1.008 2964 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 2964 G HN 1.904 nan 8.290 nan 0.000 0.514 2965 S N -0.348 115.281 115.700 -0.118 0.000 2.383 2965 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 2965 S C 2.821 177.334 174.600 -0.145 0.000 1.026 2965 S CA 2.560 60.653 58.200 -0.179 0.000 0.981 2965 S CB -0.456 62.674 63.200 -0.118 0.000 0.818 2965 S HN 1.285 nan 8.310 nan 0.000 0.472 2966 T N 0.208 114.714 114.554 -0.080 0.000 2.622 2966 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 2966 T C 1.581 176.249 174.700 -0.054 0.000 1.047 2966 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 2966 T CB -0.979 67.873 68.868 -0.026 0.000 0.863 2966 T HN 0.386 nan 8.240 nan 0.000 0.422 2967 E N 0.842 121.004 120.200 -0.064 0.000 2.171 2967 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 2967 E C 2.261 178.815 176.600 -0.077 0.000 0.997 2967 E CA 0.831 57.191 56.400 -0.066 0.000 0.810 2967 E CB -0.662 28.987 29.700 -0.084 0.000 0.738 2967 E HN 0.414 nan 8.360 nan 0.000 0.467 2968 V N 0.899 120.745 119.914 -0.113 0.000 2.379 2968 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 2968 V C 2.118 178.151 176.094 -0.102 0.000 1.044 2968 V CA 1.471 63.693 62.300 -0.130 0.000 1.036 2968 V CB -0.316 31.375 31.823 -0.219 0.000 0.664 2968 V HN 0.220 nan 8.190 nan 0.000 0.453 2969 E N 0.055 120.196 120.200 -0.098 0.000 2.051 2969 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 2969 E C 2.193 178.775 176.600 -0.029 0.000 0.991 2969 E CA 1.183 57.563 56.400 -0.033 0.000 0.799 2969 E CB -0.308 29.392 29.700 -0.000 0.000 0.748 2969 E HN 0.338 nan 8.360 nan 0.000 0.449 2970 L N 0.946 122.158 121.223 -0.018 0.000 2.046 2970 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 2970 L C 2.577 179.443 176.870 -0.007 0.000 1.077 2970 L CA 1.466 56.312 54.840 0.010 0.000 0.747 2970 L CB -1.245 40.845 42.059 0.052 0.000 0.896 2970 L HN 0.041 nan 8.230 nan 0.000 0.432 2971 S N -1.246 114.442 115.700 -0.020 0.000 2.368 2971 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 2971 S C 2.049 176.619 174.600 -0.050 0.000 1.030 2971 S CA 1.634 59.820 58.200 -0.023 0.000 0.999 2971 S CB -0.177 63.000 63.200 -0.038 0.000 0.844 2971 S HN 0.330 nan 8.310 nan 0.000 0.459 2972 M N 1.303 120.864 119.600 -0.066 0.000 2.066 2972 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 2972 M C 1.787 177.985 176.300 -0.171 0.000 1.074 2972 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 2972 M CB -0.528 32.042 32.600 -0.051 0.000 1.306 2972 M HN 0.041 nan 8.290 nan 0.000 0.411 2973 K N 0.084 120.340 120.400 -0.241 0.000 2.097 2973 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 2973 K C 1.892 177.939 176.600 -0.922 0.000 1.049 2973 K CA 1.448 57.394 56.287 -0.568 0.000 0.933 2973 K CB -0.776 31.455 32.500 -0.448 0.000 0.717 2973 K HN 0.397 nan 8.250 nan 0.000 0.442 2974 L N 0.355 121.338 121.223 -0.400 0.000 2.131 2974 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 2974 L C 2.593 179.416 176.870 -0.079 0.000 1.092 2974 L CA 0.919 55.671 54.840 -0.146 0.000 0.759 2974 L CB -0.291 41.797 42.059 0.047 0.000 0.903 2974 L HN 0.179 nan 8.230 nan 0.000 0.435 2975 R N 0.754 121.193 120.500 -0.102 0.000 2.092 2975 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 2975 R C 1.864 178.141 176.300 -0.040 0.000 1.119 2975 R CA 1.544 57.619 56.100 -0.041 0.000 0.970 2975 R CB -0.055 30.224 30.300 -0.036 0.000 0.864 2975 R HN 0.485 nan 8.270 nan 0.000 0.440 2976 E N -0.786 119.342 120.200 -0.119 0.000 2.072 2976 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 2976 E C 1.886 178.546 176.600 0.100 0.000 0.982 2976 E CA 0.942 57.313 56.400 -0.048 0.000 0.803 2976 E CB -0.179 29.458 29.700 -0.105 0.000 0.755 2976 E HN 0.317 nan 8.360 nan 0.000 0.453 2977 Y N 0.807 121.117 120.300 0.016 0.000 2.207 2977 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 2977 Y C 2.398 178.305 175.900 0.011 0.000 1.156 2977 Y CA 0.646 58.752 58.100 0.010 0.000 1.182 2977 Y CB -1.252 37.212 38.460 0.006 0.000 0.979 2977 Y HN 0.041 nan 8.280 nan 0.000 0.521 2978 A N 0.326 123.247 122.820 0.168 0.000 1.883 2978 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 2978 A C 2.204 179.833 177.584 0.077 0.000 1.186 2978 A CA 1.851 53.949 52.037 0.102 0.000 0.624 2978 A CB -0.485 18.561 19.000 0.078 0.000 0.822 2978 A HN 0.343 nan 8.150 nan 0.000 0.444 2979 E N -0.534 119.708 120.200 0.070 0.000 2.150 2979 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 2979 E C 2.157 178.790 176.600 0.055 0.000 0.985 2979 E CA 1.081 57.513 56.400 0.053 0.000 0.814 2979 E CB -0.653 29.073 29.700 0.043 0.000 0.752 2979 E HN 0.603 nan 8.360 nan 0.000 0.466 2980 G N 1.153 109.999 108.800 0.076 0.000 2.402 2980 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 2980 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 2980 G C 1.740 176.663 174.900 0.039 0.000 1.162 2980 G CA 0.406 45.542 45.100 0.061 0.000 0.777 2980 G HN 0.179 nan 8.290 nan 0.000 0.539 2981 I N -0.145 120.451 120.570 0.044 0.000 2.286 2981 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 2981 I C 1.748 177.879 176.117 0.023 0.000 1.104 2981 I CA 0.624 61.940 61.300 0.026 0.000 1.397 2981 I CB -0.276 37.741 38.000 0.029 0.000 1.072 2981 I HN 0.319 nan 8.210 nan 0.000 0.417 2982 S N -0.724 114.994 115.700 0.030 0.000 3.307 2982 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 2982 S C 0.590 175.202 174.600 0.020 0.000 2.711 2982 S CA 0.943 59.157 58.200 0.025 0.000 2.940 2982 S CB -1.372 61.840 63.200 0.019 0.000 0.331 2982 S HN 1.370 nan 8.310 nan 0.000 1.766 2983 G N 0.624 109.433 108.800 0.016 0.000 2.569 2983 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 2983 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 2983 G C 0.149 175.058 174.900 0.016 0.000 1.263 2983 G CA 1.165 46.273 45.100 0.013 0.000 0.928 2983 G HN 1.159 nan 8.290 nan 0.000 0.572 2984 R N 0.299 120.807 120.500 0.013 0.000 2.153 2984 R HA 0.194 4.534 4.340 -0.000 0.000 0.218 2984 R C 2.596 178.906 176.300 0.016 0.000 1.072 2984 R CA 1.802 57.911 56.100 0.015 0.000 0.990 2984 R CB -0.364 29.945 30.300 0.014 0.000 0.889 2984 R HN 0.707 nan 8.270 nan 0.000 0.452 2985 E N 0.470 120.677 120.200 0.012 0.000 2.160 2985 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 2985 E C 1.810 178.429 176.600 0.032 0.000 0.991 2985 E CA 1.454 57.861 56.400 0.012 0.000 0.810 2985 E CB -0.010 29.692 29.700 0.004 0.000 0.742 2985 E HN 0.534 nan 8.360 nan 0.000 0.466 2986 Q N 0.444 120.266 119.800 0.036 0.000 2.170 2986 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 2986 Q C 1.976 178.014 176.000 0.063 0.000 0.976 2986 Q CA 1.048 56.882 55.803 0.052 0.000 0.858 2986 Q CB -0.171 28.593 28.738 0.045 0.000 0.907 2986 Q HN 0.166 nan 8.270 nan 0.000 0.433 2987 L N 1.164 122.419 121.223 0.052 0.000 2.093 2987 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 2987 L C 2.559 179.483 176.870 0.089 0.000 1.085 2987 L CA 1.898 56.773 54.840 0.060 0.000 0.755 2987 L CB -1.077 41.006 42.059 0.039 0.000 0.904 2987 L HN 0.410 nan 8.230 nan 0.000 0.435 2988 A N -1.244 121.621 122.820 0.074 0.000 1.898 2988 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 2988 A C 2.331 180.076 177.584 0.268 0.000 1.181 2988 A CA 1.678 53.770 52.037 0.092 0.000 0.620 2988 A CB -0.802 18.186 19.000 -0.020 0.000 0.819 2988 A HN 0.193 nan 8.150 nan 0.000 0.442 2989 V N -0.125 119.901 119.914 0.186 0.000 2.515 2989 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 2989 V C 2.575 178.798 176.094 0.217 0.000 1.058 2989 V CA 2.043 64.461 62.300 0.198 0.000 1.064 2989 V CB -0.795 31.098 31.823 0.117 0.000 0.675 2989 V HN 0.607 nan 8.190 nan 0.000 0.461 2990 R N 0.228 120.828 120.500 0.167 0.000 2.075 2990 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 2990 R C 2.290 178.679 176.300 0.148 0.000 1.126 2990 R CA 1.499 57.676 56.100 0.128 0.000 0.963 2990 R CB -0.344 30.008 30.300 0.087 0.000 0.858 2990 R HN 0.490 nan 8.270 nan 0.000 0.435 2991 A N 0.003 122.950 122.820 0.212 0.000 1.969 2991 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 2991 A C 1.906 179.597 177.584 0.178 0.000 1.169 2991 A CA 0.892 53.063 52.037 0.223 0.000 0.635 2991 A CB -0.624 18.566 19.000 0.317 0.000 0.810 2991 A HN 0.483 nan 8.150 nan 0.000 0.445 2992 F N 0.883 120.879 119.950 0.077 0.000 2.134 2992 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 2992 F C 2.518 178.248 175.800 -0.118 0.000 1.097 2992 F CA 1.285 59.161 58.000 -0.207 0.000 1.264 2992 F CB -0.228 38.684 39.000 -0.148 0.000 1.001 2992 F HN 0.249 nan 8.300 nan 0.000 0.479 2993 A N -0.273 122.644 122.820 0.161 0.000 1.933 2993 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 2993 A C 1.876 179.437 177.584 -0.037 0.000 1.175 2993 A CA 1.964 54.040 52.037 0.064 0.000 0.628 2993 A CB -0.862 18.188 19.000 0.083 0.000 0.814 2993 A HN 0.413 nan 8.150 nan 0.000 0.444 2994 D N -0.104 120.281 120.400 -0.026 0.000 2.224 2994 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 2994 D C 2.119 178.360 176.300 -0.098 0.000 0.965 2994 D CA 1.227 55.200 54.000 -0.044 0.000 0.852 2994 D CB -0.284 40.512 40.800 -0.007 0.000 0.947 2994 D HN 0.421 nan 8.370 nan 0.000 0.494 2995 A N 0.538 123.256 122.820 -0.170 0.000 1.969 2995 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 2995 A C 2.243 179.663 177.584 -0.274 0.000 1.169 2995 A CA 0.550 52.440 52.037 -0.244 0.000 0.635 2995 A CB -0.631 18.136 19.000 -0.389 0.000 0.810 2995 A HN 0.204 nan 8.150 nan 0.000 0.445 2996 L N -0.574 120.467 121.223 -0.305 0.000 2.265 2996 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 2996 L C 2.411 179.187 176.870 -0.157 0.000 1.117 2996 L CA 1.484 56.174 54.840 -0.251 0.000 0.782 2996 L CB -0.419 41.516 42.059 -0.207 0.000 0.914 2996 L HN 0.564 nan 8.230 nan 0.000 0.441 2997 E N 0.001 120.125 120.200 -0.128 0.000 2.409 2997 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 2997 E C 2.202 178.750 176.600 -0.086 0.000 1.024 2997 E CA 0.501 56.845 56.400 -0.093 0.000 0.861 2997 E CB 0.176 29.832 29.700 -0.074 0.000 0.788 2997 E HN 0.307 nan 8.360 nan 0.000 0.521 2998 V N 0.871 120.726 119.914 -0.098 0.000 2.469 2998 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 2998 V C 1.920 177.969 176.094 -0.075 0.000 1.064 2998 V CA 1.224 63.474 62.300 -0.082 0.000 1.066 2998 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 2998 V HN 0.324 nan 8.190 nan 0.000 0.461 2999 I N 0.636 121.156 120.570 -0.084 0.000 2.113 2999 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 2999 I C 0.309 176.387 176.117 -0.066 0.000 1.070 2999 I CA 1.827 63.083 61.300 -0.074 0.000 1.332 2999 I CB -3.031 34.921 38.000 -0.080 0.000 1.044 2999 I HN 0.336 nan 8.210 nan 0.000 0.402 3000 P HA -0.137 nan 4.420 nan 0.000 0.216 3000 P C 1.727 178.996 177.300 -0.052 0.000 1.153 3000 P CA 1.397 64.460 63.100 -0.062 0.000 0.858 3000 P CB -0.121 31.540 31.700 -0.066 0.000 0.789 3001 R N -0.637 119.832 120.500 -0.051 0.000 2.091 3001 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 3001 R C 2.152 178.429 176.300 -0.038 0.000 1.136 3001 R CA 2.209 58.284 56.100 -0.043 0.000 0.959 3001 R CB -2.034 28.240 30.300 -0.044 0.000 0.856 3001 R HN 0.356 nan 8.270 nan 0.000 0.437 3002 T N -1.901 112.629 114.554 -0.041 0.000 3.057 3002 T HA 0.067 4.417 4.350 -0.000 0.000 0.254 3002 T C 1.904 176.584 174.700 -0.033 0.000 1.094 3002 T CA -0.046 62.033 62.100 -0.035 0.000 1.088 3002 T CB -0.015 68.831 68.868 -0.036 0.000 0.934 3002 T HN -0.103 nan 8.240 nan 0.000 0.497 3003 L N 1.812 123.011 121.223 -0.040 0.000 2.027 3003 L HA 0.297 4.637 4.340 -0.000 0.000 0.206 3003 L C 2.934 179.782 176.870 -0.037 0.000 1.074 3003 L CA 1.767 56.581 54.840 -0.043 0.000 0.745 3003 L CB -1.168 40.858 42.059 -0.054 0.000 0.898 3003 L HN 0.429 nan 8.230 nan 0.000 0.433 3004 A N -1.642 121.157 122.820 -0.035 0.000 2.021 3004 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 3004 A C 2.278 179.851 177.584 -0.018 0.000 1.163 3004 A CA 1.055 53.076 52.037 -0.026 0.000 0.676 3004 A CB -0.387 18.597 19.000 -0.027 0.000 0.818 3004 A HN 0.465 nan 8.150 nan 0.000 0.453 3005 E N 0.339 120.527 120.200 -0.020 0.000 2.028 3005 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 3005 E C 1.483 178.077 176.600 -0.010 0.000 0.988 3005 E CA 1.336 57.727 56.400 -0.015 0.000 0.799 3005 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 3005 E HN 0.512 nan 8.360 nan 0.000 0.447 3006 N N 0.304 118.997 118.700 -0.011 0.000 2.309 3006 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 3006 N C 1.396 176.908 175.510 0.003 0.000 1.018 3006 N CA 1.122 54.169 53.050 -0.005 0.000 0.876 3006 N CB -0.216 38.266 38.487 -0.008 0.000 0.972 3006 N HN 0.233 nan 8.380 nan 0.000 0.434 3007 A N -0.125 122.695 122.820 0.000 0.000 2.067 3007 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 3007 A C 1.512 179.105 177.584 0.015 0.000 1.156 3007 A CA 1.108 53.152 52.037 0.011 0.000 0.683 3007 A CB -0.371 18.629 19.000 0.000 0.000 0.808 3007 A HN 0.312 nan 8.150 nan 0.000 0.455 3008 G N -1.327 107.476 108.800 0.006 0.000 2.149 3008 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.235 3008 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.235 3008 G C -0.026 174.877 174.900 0.005 0.000 1.018 3008 G CA 0.285 45.389 45.100 0.006 0.000 0.728 3008 G HN 0.432 nan 8.290 nan 0.000 0.508 3009 L N 0.133 121.356 121.223 0.001 0.000 2.399 3009 L HA 0.446 4.786 4.340 -0.000 0.000 0.265 3009 L C 0.546 177.413 176.870 -0.006 0.000 1.089 3009 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 3009 L CB 0.845 42.901 42.059 -0.005 0.000 1.180 3009 L HN 0.095 nan 8.230 nan 0.000 0.454 3010 D N 1.184 121.581 120.400 -0.005 0.000 2.346 3010 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 3010 D C 0.754 177.047 176.300 -0.012 0.000 1.320 3010 D CA 0.170 54.166 54.000 -0.007 0.000 0.951 3010 D CB 1.603 42.400 40.800 -0.005 0.000 1.079 3010 D HN 0.638 nan 8.370 nan 0.000 0.509 3011 A N 4.924 127.736 122.820 -0.014 0.000 1.908 3011 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 3011 A C 2.301 179.873 177.584 -0.020 0.000 1.181 3011 A CA 1.022 53.047 52.037 -0.020 0.000 0.627 3011 A CB -0.353 18.635 19.000 -0.021 0.000 0.818 3011 A HN 0.755 nan 8.150 nan 0.000 0.445 3012 I N -1.070 119.491 120.570 -0.016 0.000 2.142 3012 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 3012 I C 2.607 178.716 176.117 -0.013 0.000 1.078 3012 I CA 1.860 63.151 61.300 -0.015 0.000 1.343 3012 I CB -0.329 37.664 38.000 -0.012 0.000 1.046 3012 I HN 0.368 nan 8.210 nan 0.000 0.405 3013 E N 1.226 121.420 120.200 -0.011 0.000 2.072 3013 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 3013 E C 2.131 178.726 176.600 -0.009 0.000 0.985 3013 E CA 1.221 57.616 56.400 -0.008 0.000 0.801 3013 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 3013 E HN 0.238 nan 8.360 nan 0.000 0.452 3014 I N 0.371 120.934 120.570 -0.012 0.000 2.127 3014 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 3014 I C 2.079 178.185 176.117 -0.017 0.000 1.075 3014 I CA 0.947 62.239 61.300 -0.014 0.000 1.334 3014 I CB -1.090 36.899 38.000 -0.018 0.000 1.040 3014 I HN 0.226 nan 8.210 nan 0.000 0.405 3015 L N 0.148 121.357 121.223 -0.022 0.000 2.042 3015 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 3015 L C 2.622 179.481 176.870 -0.019 0.000 1.076 3015 L CA 1.383 56.206 54.840 -0.027 0.000 0.749 3015 L CB -1.205 40.835 42.059 -0.031 0.000 0.893 3015 L HN 0.018 nan 8.230 nan 0.000 0.432 3016 V N -0.827 119.079 119.914 -0.013 0.000 2.358 3016 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 3016 V C 2.601 178.694 176.094 -0.001 0.000 1.047 3016 V CA 1.347 63.643 62.300 -0.007 0.000 1.035 3016 V CB -0.520 31.299 31.823 -0.006 0.000 0.658 3016 V HN 0.380 nan 8.190 nan 0.000 0.452 3017 K N -0.071 120.329 120.400 -0.001 0.000 2.057 3017 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 3017 K C 2.141 178.747 176.600 0.010 0.000 1.050 3017 K CA 1.052 57.341 56.287 0.004 0.000 0.935 3017 K CB -0.715 31.786 32.500 0.001 0.000 0.715 3017 K HN 0.383 nan 8.250 nan 0.000 0.439 3018 V N 1.535 121.451 119.914 0.004 0.000 2.261 3018 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 3018 V C 2.496 178.611 176.094 0.035 0.000 1.047 3018 V CA 1.661 63.968 62.300 0.011 0.000 1.015 3018 V CB -0.429 31.386 31.823 -0.014 0.000 0.642 3018 V HN 0.299 nan 8.190 nan 0.000 0.446 3019 R N 0.042 120.550 120.500 0.013 0.000 2.091 3019 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 3019 R C 2.414 178.757 176.300 0.071 0.000 1.136 3019 R CA 1.581 57.699 56.100 0.029 0.000 0.959 3019 R CB -0.660 29.638 30.300 -0.003 0.000 0.856 3019 R HN 0.558 nan 8.270 nan 0.000 0.437 3020 A N 1.253 124.097 122.820 0.041 0.000 1.858 3020 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 3020 A C 2.406 180.012 177.584 0.038 0.000 1.190 3020 A CA 1.727 53.783 52.037 0.033 0.000 0.617 3020 A CB -0.803 18.208 19.000 0.017 0.000 0.827 3020 A HN 0.405 nan 8.150 nan 0.000 0.443 3021 A N -1.212 121.632 122.820 0.041 0.000 1.908 3021 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 3021 A C 2.154 179.766 177.584 0.046 0.000 1.181 3021 A CA 1.868 53.926 52.037 0.035 0.000 0.627 3021 A CB -0.991 18.028 19.000 0.032 0.000 0.818 3021 A HN 0.791 nan 8.150 nan 0.000 0.445 3022 H N 0.023 119.085 119.070 -0.013 0.000 2.353 3022 H HA -0.046 4.510 4.556 0.000 0.000 0.300 3022 H C 2.207 177.528 175.328 -0.012 0.000 1.090 3022 H CA 1.662 57.702 56.048 -0.013 0.000 1.327 3022 H CB -0.214 29.538 29.762 -0.016 0.000 1.383 3022 H HN 0.397 nan 8.280 nan 0.000 0.508 3023 A N -0.082 122.748 122.820 0.017 0.000 2.019 3023 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 3023 A C 2.700 180.239 177.584 -0.075 0.000 1.164 3023 A CA 1.799 53.817 52.037 -0.033 0.000 0.644 3023 A CB -0.624 18.396 19.000 0.034 0.000 0.805 3023 A HN 0.511 nan 8.150 nan 0.000 0.449 3024 S N -0.556 115.109 115.700 -0.058 0.000 2.370 3024 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 3024 S C 1.792 176.351 174.600 -0.068 0.000 1.033 3024 S CA 0.788 58.959 58.200 -0.049 0.000 0.941 3024 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 3024 S HN 0.568 nan 8.310 nan 0.000 0.521 3025 N N 1.309 119.969 118.700 -0.067 0.000 2.396 3025 N HA 0.212 4.952 4.740 -0.000 0.000 0.180 3025 N C 1.069 176.520 175.510 -0.099 0.000 1.028 3025 N CA 1.012 54.024 53.050 -0.063 0.000 0.893 3025 N CB -0.019 38.447 38.487 -0.035 0.000 0.967 3025 N HN 0.634 nan 8.380 nan 0.000 0.440 3026 G N 0.336 109.021 108.800 -0.193 0.000 2.378 3026 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 3026 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 3026 G C 0.050 174.728 174.900 -0.369 0.000 1.223 3026 G CA -0.035 44.910 45.100 -0.258 0.000 1.088 3026 G HN 0.263 nan 8.290 nan 0.000 0.530 3027 N N 0.431 119.027 118.700 -0.174 0.000 2.415 3027 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 3027 N C 1.617 177.167 175.510 0.067 0.000 1.048 3027 N CA 1.168 54.225 53.050 0.011 0.000 0.895 3027 N CB 0.140 38.660 38.487 0.055 0.000 1.036 3027 N HN 0.609 nan 8.380 nan 0.000 0.449 3028 K N -0.652 119.757 120.400 0.015 0.000 2.399 3028 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 3028 K C -0.540 176.068 176.600 0.013 0.000 1.023 3028 K CA 0.010 56.308 56.287 0.019 0.000 1.127 3028 K CB 0.332 32.837 32.500 0.008 0.000 0.856 3028 K HN 0.016 nan 8.250 nan 0.000 0.514 3029 C N 1.294 120.601 119.300 0.011 0.000 3.401 3029 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 3029 C C 0.406 175.412 174.990 0.026 0.000 1.522 3029 C CA -0.507 58.515 59.018 0.007 0.000 1.409 3029 C CB -0.543 27.188 27.740 -0.015 0.000 1.967 3029 C HN 0.662 nan 8.230 nan 0.000 0.496 3030 A N 0.476 123.326 122.820 0.050 0.000 3.169 3030 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 3030 A C 0.531 178.136 177.584 0.034 0.000 1.265 3030 A CA 0.558 52.637 52.037 0.069 0.000 2.339 3030 A CB -0.750 18.346 19.000 0.160 0.000 2.810 3030 A HN 1.985 nan 8.150 nan 0.000 1.169 3031 G N -1.368 107.450 108.800 0.031 0.000 2.960 3031 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 3031 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 3031 G C -0.321 174.563 174.900 -0.027 0.000 1.492 3031 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 3031 G HN 2.017 nan 8.290 nan 0.000 0.555 3032 L N 0.084 121.277 121.223 -0.051 0.000 2.312 3032 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 3032 L C 0.232 177.050 176.870 -0.086 0.000 1.070 3032 L CA -0.827 53.978 54.840 -0.058 0.000 0.805 3032 L CB 1.599 43.620 42.059 -0.064 0.000 1.174 3032 L HN 0.674 nan 8.230 nan 0.000 0.434 3033 N N 3.113 121.769 118.700 -0.074 0.000 2.800 3033 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 3033 N C 0.659 176.109 175.510 -0.098 0.000 1.096 3033 N CA -0.310 52.675 53.050 -0.108 0.000 0.877 3033 N CB 0.941 39.402 38.487 -0.044 0.000 1.138 3033 N HN 0.515 nan 8.380 nan 0.000 0.509 3034 V N 2.525 122.325 119.914 -0.189 0.000 2.453 3034 V HA -0.247 3.873 4.120 -0.000 0.000 0.252 3034 V C 1.486 177.624 176.094 0.073 0.000 1.068 3034 V CA 1.546 63.785 62.300 -0.101 0.000 1.070 3034 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 3034 V HN 0.581 nan 8.190 nan 0.000 0.461 3035 F N 1.181 121.129 119.950 -0.004 0.000 2.146 3035 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 3035 F C 2.665 178.464 175.800 -0.003 0.000 1.096 3035 F CA 1.775 59.773 58.000 -0.004 0.000 1.275 3035 F CB -1.584 37.414 39.000 -0.004 0.000 1.008 3035 F HN 0.383 nan 8.300 nan 0.000 0.480 3036 T N -3.751 110.915 114.554 0.187 0.000 3.044 3036 T HA 0.370 4.720 4.350 -0.000 0.000 0.250 3036 T C 1.562 176.299 174.700 0.061 0.000 1.081 3036 T CA 0.476 62.636 62.100 0.100 0.000 1.040 3036 T CB -0.122 68.792 68.868 0.077 0.000 0.962 3036 T HN 0.421 nan 8.240 nan 0.000 0.506 3037 G N 1.192 110.024 108.800 0.052 0.000 2.295 3037 G HA2 0.199 4.159 3.960 -0.000 0.000 0.287 3037 G HA3 0.199 4.159 3.960 -0.000 0.000 0.287 3037 G C 0.112 175.021 174.900 0.015 0.000 1.055 3037 G CA -0.055 45.062 45.100 0.027 0.000 0.922 3037 G HN 1.442 nan 8.290 nan 0.000 0.503 3038 A N -1.699 121.127 122.820 0.011 0.000 2.608 3038 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 3038 A C 0.309 177.894 177.584 0.002 0.000 1.066 3038 A CA 0.048 52.089 52.037 0.008 0.000 0.676 3038 A CB 0.882 19.890 19.000 0.013 0.000 1.277 3038 A HN 1.942 nan 8.150 nan 0.000 0.413 3039 V N -0.647 119.268 119.914 0.003 0.000 3.209 3039 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 3039 V C 0.173 176.271 176.094 0.006 0.000 1.127 3039 V CA 0.366 62.669 62.300 0.004 0.000 1.235 3039 V CB 0.181 32.010 31.823 0.011 0.000 0.987 3039 V HN 0.940 nan 8.190 nan 0.000 0.499 3040 E N 0.678 120.882 120.200 0.006 0.000 2.296 3040 E HA 0.384 4.734 4.350 -0.000 0.000 0.224 3040 E C -1.412 175.194 176.600 0.010 0.000 0.949 3040 E CA -0.597 55.808 56.400 0.008 0.000 0.879 3040 E CB 0.821 30.525 29.700 0.008 0.000 1.922 3040 E HN 0.877 nan 8.360 nan 0.000 0.437 3041 D N 1.261 121.666 120.400 0.009 0.000 2.441 3041 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 3041 D C 0.869 177.174 176.300 0.008 0.000 1.073 3041 D CA -0.304 53.702 54.000 0.009 0.000 0.850 3041 D CB 0.802 41.607 40.800 0.008 0.000 1.062 3041 D HN 0.188 nan 8.370 nan 0.000 0.524 3042 M N 1.948 121.552 119.600 0.007 0.000 2.117 3042 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 3042 M C 2.281 178.583 176.300 0.005 0.000 1.065 3042 M CA 0.859 56.160 55.300 0.001 0.000 1.114 3042 M CB -1.093 31.508 32.600 0.001 0.000 1.361 3042 M HN 0.547 nan 8.290 nan 0.000 0.408 3043 C N 0.447 119.752 119.300 0.008 0.000 2.453 3043 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 3043 C C 2.713 177.708 174.990 0.009 0.000 1.262 3043 C CA 1.496 60.519 59.018 0.008 0.000 1.718 3043 C CB -0.857 26.889 27.740 0.008 0.000 2.031 3043 C HN 0.596 nan 8.230 nan 0.000 0.480 3044 E N 1.153 121.358 120.200 0.009 0.000 2.118 3044 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 3044 E C 1.611 178.219 176.600 0.014 0.000 0.992 3044 E CA 1.680 58.086 56.400 0.010 0.000 0.804 3044 E CB -0.373 29.332 29.700 0.010 0.000 0.741 3044 E HN 0.632 nan 8.360 nan 0.000 0.458 3045 N N -0.434 118.275 118.700 0.015 0.000 2.398 3045 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 3045 N C 0.544 176.067 175.510 0.020 0.000 1.122 3045 N CA 0.898 53.960 53.050 0.021 0.000 0.866 3045 N CB 0.529 39.029 38.487 0.022 0.000 0.970 3045 N HN 0.287 nan 8.380 nan 0.000 0.462 3046 G N 0.540 109.349 108.800 0.014 0.000 2.283 3046 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 3046 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 3046 G C -0.090 174.816 174.900 0.010 0.000 1.029 3046 G CA 0.261 45.369 45.100 0.013 0.000 0.840 3046 G HN 0.200 nan 8.290 nan 0.000 0.505 3047 V N 1.063 120.979 119.914 0.002 0.000 2.222 3047 V HA 0.478 4.598 4.120 -0.000 0.000 0.253 3047 V C 0.792 176.877 176.094 -0.015 0.000 1.210 3047 V CA 0.067 62.360 62.300 -0.012 0.000 1.079 3047 V CB 0.540 32.343 31.823 -0.034 0.000 1.265 3047 V HN 0.961 nan 8.190 nan 0.000 0.494 3048 V N 1.912 121.821 119.914 -0.007 0.000 2.914 3048 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 3048 V C -0.574 175.516 176.094 -0.007 0.000 1.084 3048 V CA -0.850 61.446 62.300 -0.006 0.000 0.963 3048 V CB 2.296 34.119 31.823 0.000 0.000 1.025 3048 V HN 0.777 nan 8.190 nan 0.000 0.432 3049 E N 2.148 122.343 120.200 -0.008 0.000 2.336 3049 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 3049 E C -3.108 173.490 176.600 -0.002 0.000 0.906 3049 E CA -2.474 53.922 56.400 -0.006 0.000 0.781 3049 E CB 2.130 31.823 29.700 -0.012 0.000 1.261 3049 E HN 0.494 nan 8.360 nan 0.000 0.436 3050 P HA -0.032 nan 4.420 nan 0.000 0.269 3050 P C 0.336 177.637 177.300 0.001 0.000 1.209 3050 P CA -0.410 62.691 63.100 0.002 0.000 0.776 3050 P CB 0.524 32.225 31.700 0.002 0.000 0.876 3051 L N 3.407 124.632 121.223 0.004 0.000 2.093 3051 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 3051 L C 2.202 179.076 176.870 0.006 0.000 1.085 3051 L CA 1.715 56.558 54.840 0.005 0.000 0.755 3051 L CB -0.627 41.436 42.059 0.008 0.000 0.904 3051 L HN 0.268 nan 8.230 nan 0.000 0.435 3052 R N -1.442 119.062 120.500 0.005 0.000 2.127 3052 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 3052 R C 2.103 178.405 176.300 0.004 0.000 1.134 3052 R CA 1.415 57.519 56.100 0.005 0.000 0.975 3052 R CB -0.598 29.705 30.300 0.005 0.000 0.865 3052 R HN 0.293 nan 8.270 nan 0.000 0.447 3053 V N 1.362 121.278 119.914 0.002 0.000 2.255 3053 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 3053 V C 2.289 178.383 176.094 -0.001 0.000 1.051 3053 V CA 1.710 64.010 62.300 -0.001 0.000 1.018 3053 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 3053 V HN 0.221 nan 8.190 nan 0.000 0.445 3054 K N -0.264 120.135 120.400 -0.001 0.000 2.103 3054 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 3054 K C 2.233 178.838 176.600 0.008 0.000 1.052 3054 K CA 1.566 57.853 56.287 -0.001 0.000 0.945 3054 K CB -0.704 31.795 32.500 -0.002 0.000 0.722 3054 K HN 0.501 nan 8.250 nan 0.000 0.443 3055 T N 1.343 115.903 114.554 0.011 0.000 2.737 3055 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 3055 T C 1.927 176.638 174.700 0.017 0.000 1.038 3055 T CA 1.434 63.545 62.100 0.017 0.000 1.144 3055 T CB -0.074 68.803 68.868 0.015 0.000 0.866 3055 T HN 0.157 nan 8.240 nan 0.000 0.434 3056 Q N 1.316 121.123 119.800 0.012 0.000 2.079 3056 Q HA 0.118 4.458 4.340 -0.000 0.000 0.200 3056 Q C 2.312 178.319 176.000 0.012 0.000 0.974 3056 Q CA 1.667 57.477 55.803 0.012 0.000 0.840 3056 Q CB -0.741 28.002 28.738 0.008 0.000 0.898 3056 Q HN 0.471 nan 8.270 nan 0.000 0.430 3057 A N 0.401 123.226 122.820 0.008 0.000 1.892 3057 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 3057 A C 2.145 179.735 177.584 0.010 0.000 1.188 3057 A CA 1.780 53.819 52.037 0.003 0.000 0.631 3057 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 3057 A HN 0.489 nan 8.150 nan 0.000 0.447 3058 I N -1.087 119.495 120.570 0.020 0.000 2.202 3058 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 3058 I C 2.783 178.932 176.117 0.052 0.000 1.091 3058 I CA 1.776 63.102 61.300 0.043 0.000 1.368 3058 I CB -0.347 37.693 38.000 0.067 0.000 1.058 3058 I HN 0.439 nan 8.210 nan 0.000 0.410 3059 Q N 1.101 120.925 119.800 0.039 0.000 1.975 3059 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 3059 Q C 2.295 178.315 176.000 0.034 0.000 0.990 3059 Q CA 2.631 58.455 55.803 0.036 0.000 0.845 3059 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 3059 Q HN 0.327 nan 8.270 nan 0.000 0.420 3060 S N 0.192 115.907 115.700 0.025 0.000 2.383 3060 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 3060 S C 1.897 176.512 174.600 0.024 0.000 1.030 3060 S CA 0.986 59.199 58.200 0.021 0.000 1.002 3060 S CB -0.666 62.543 63.200 0.014 0.000 0.829 3060 S HN 0.587 nan 8.310 nan 0.000 0.467 3061 A N 1.549 124.383 122.820 0.024 0.000 1.877 3061 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 3061 A C 2.363 179.971 177.584 0.041 0.000 1.186 3061 A CA 1.726 53.776 52.037 0.021 0.000 0.620 3061 A CB -1.080 17.924 19.000 0.005 0.000 0.822 3061 A HN 0.524 nan 8.150 nan 0.000 0.443 3062 A N -0.319 122.539 122.820 0.065 0.000 1.930 3062 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 3062 A C 1.885 179.518 177.584 0.081 0.000 1.175 3062 A CA 1.512 53.608 52.037 0.099 0.000 0.627 3062 A CB -0.503 18.571 19.000 0.123 0.000 0.815 3062 A HN 0.625 nan 8.150 nan 0.000 0.443 3063 E N 0.056 120.290 120.200 0.058 0.000 2.153 3063 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 3063 E C 2.165 178.792 176.600 0.044 0.000 0.988 3063 E CA 1.242 57.670 56.400 0.047 0.000 0.811 3063 E CB -0.094 29.626 29.700 0.034 0.000 0.746 3063 E HN 0.605 nan 8.360 nan 0.000 0.466 3064 S N 0.182 115.907 115.700 0.041 0.000 2.377 3064 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 3064 S C 2.107 176.735 174.600 0.047 0.000 1.030 3064 S CA 1.148 59.370 58.200 0.036 0.000 0.970 3064 S CB -0.159 63.057 63.200 0.027 0.000 0.830 3064 S HN 0.255 nan 8.310 nan 0.000 0.473 3065 T N 1.975 116.567 114.554 0.063 0.000 2.788 3065 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 3065 T C 1.786 176.545 174.700 0.098 0.000 1.044 3065 T CA 1.048 63.200 62.100 0.087 0.000 1.139 3065 T CB -0.236 68.705 68.868 0.121 0.000 0.867 3065 T HN 0.329 nan 8.240 nan 0.000 0.454 3066 E N 1.017 121.272 120.200 0.093 0.000 2.150 3066 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 3066 E C 2.155 178.788 176.600 0.055 0.000 0.985 3066 E CA 0.709 57.157 56.400 0.080 0.000 0.814 3066 E CB -0.258 29.483 29.700 0.070 0.000 0.752 3066 E HN 0.341 nan 8.360 nan 0.000 0.466 3067 M N 0.653 120.282 119.600 0.047 0.000 2.117 3067 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 3067 M C 2.144 178.465 176.300 0.035 0.000 1.065 3067 M CA 1.180 56.502 55.300 0.036 0.000 1.114 3067 M CB -0.492 32.126 32.600 0.031 0.000 1.361 3067 M HN 0.127 nan 8.290 nan 0.000 0.408 3068 L N -0.107 121.140 121.223 0.040 0.000 2.056 3068 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 3068 L C 2.463 179.356 176.870 0.037 0.000 1.078 3068 L CA 0.852 55.714 54.840 0.036 0.000 0.749 3068 L CB -0.747 41.336 42.059 0.039 0.000 0.901 3068 L HN 0.294 nan 8.230 nan 0.000 0.433 3069 L N -0.379 120.873 121.223 0.048 0.000 2.191 3069 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 3069 L C 2.770 179.658 176.870 0.031 0.000 1.103 3069 L CA 0.989 55.853 54.840 0.041 0.000 0.769 3069 L CB -0.426 41.665 42.059 0.052 0.000 0.908 3069 L HN 0.261 nan 8.230 nan 0.000 0.438 3070 R N 0.570 121.090 120.500 0.033 0.000 2.148 3070 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 3070 R C 0.768 177.084 176.300 0.026 0.000 1.088 3070 R CA 0.311 56.429 56.100 0.030 0.000 0.985 3070 R CB -0.009 30.308 30.300 0.028 0.000 0.880 3070 R HN 0.227 nan 8.270 nan 0.000 0.451 3071 I N 2.168 122.752 120.570 0.024 0.000 2.517 3071 I HA -0.054 4.116 4.170 -0.000 0.000 0.285 3071 I C -0.001 176.127 176.117 0.018 0.000 1.106 3071 I CA 0.477 61.790 61.300 0.021 0.000 1.402 3071 I CB 0.963 38.976 38.000 0.021 0.000 1.399 3071 I HN 0.100 nan 8.210 nan 0.000 0.535 3072 D N 4.169 124.579 120.400 0.017 0.000 2.535 3072 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 3072 D C -0.498 175.810 176.300 0.013 0.000 1.238 3072 D CA 0.244 54.251 54.000 0.011 0.000 0.824 3072 D CB 0.684 41.490 40.800 0.010 0.000 1.045 3072 D HN 0.466 nan 8.370 nan 0.000 0.500 3073 D N 0.473 120.884 120.400 0.018 0.000 2.931 3073 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 3073 D C -1.445 174.872 176.300 0.027 0.000 1.297 3073 D CA -0.421 53.592 54.000 0.023 0.000 0.892 3073 D CB 2.065 42.877 40.800 0.020 0.000 1.642 3073 D HN -0.322 nan 8.370 nan 0.000 0.560 3074 V N 5.010 124.946 119.914 0.036 0.000 2.443 3074 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 3074 V C 0.027 176.155 176.094 0.057 0.000 1.021 3074 V CA -0.568 61.758 62.300 0.042 0.000 0.848 3074 V CB 1.587 33.434 31.823 0.041 0.000 0.998 3074 V HN 0.519 nan 8.190 nan 0.000 0.424 3075 I N 4.539 125.139 120.570 0.049 0.000 2.437 3075 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 3075 I C 0.224 176.371 176.117 0.050 0.000 1.028 3075 I CA -0.403 60.929 61.300 0.052 0.000 1.142 3075 I CB 1.608 39.629 38.000 0.035 0.000 1.266 3075 I HN 0.660 nan 8.210 nan 0.000 0.461 3076 A N 5.143 128.005 122.820 0.070 0.000 2.287 3076 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 3076 A C 0.298 177.911 177.584 0.048 0.000 1.220 3076 A CA -0.436 51.633 52.037 0.053 0.000 0.835 3076 A CB 0.962 19.994 19.000 0.053 0.000 1.180 3076 A HN 0.744 nan 8.150 nan 0.000 0.500 3077 A N 1.983 124.817 122.820 0.023 0.000 2.429 3077 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 3077 A C 0.614 178.200 177.584 0.002 0.000 1.088 3077 A CA 0.175 52.219 52.037 0.012 0.000 0.784 3077 A CB -0.020 18.983 19.000 0.005 0.000 1.038 3077 A HN 0.946 nan 8.150 nan 0.000 0.501 3078 E N 0.000 120.198 120.200 -0.003 0.000 2.725 3078 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 3078 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 3078 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 3078 E HN 0.000 nan 8.360 nan 0.000 0.440