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 3izj_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 AAIAALSAQD 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 0.000 176.090 176.094 -0.007 0.000 1.182 2566 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 2566 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 2567 L N 2.645 123.862 121.223 -0.010 0.000 2.375 2567 L HA 0.475 4.815 4.340 0.000 0.000 0.271 2567 L C -2.074 174.790 176.870 -0.011 0.000 1.107 2567 L CA -1.503 53.331 54.840 -0.010 0.000 0.806 2567 L CB 0.352 42.403 42.059 -0.015 0.000 1.146 2567 L HN 0.137 nan 8.230 nan 0.000 0.447 2568 P HA 0.027 nan 4.420 nan 0.000 0.265 2568 P C -0.944 176.349 177.300 -0.012 0.000 1.187 2568 P CA -0.197 62.899 63.100 -0.008 0.000 0.766 2568 P CB 0.368 32.066 31.700 -0.005 0.000 0.820 2569 E N 2.812 123.006 120.200 -0.011 0.000 2.417 2569 E HA 0.075 4.426 4.350 0.000 0.000 0.261 2569 E C 0.587 177.179 176.600 -0.013 0.000 1.000 2569 E CA 0.591 56.983 56.400 -0.014 0.000 0.919 2569 E CB -0.049 29.644 29.700 -0.012 0.000 0.955 2569 E HN 0.347 nan 8.360 nan 0.000 0.455 2570 N N 0.593 119.282 118.700 -0.019 0.000 2.990 2570 N HA -0.177 4.563 4.740 0.000 0.000 0.163 2570 N C -0.215 175.283 175.510 -0.020 0.000 1.452 2570 N CA 0.524 53.564 53.050 -0.017 0.000 1.624 2570 N CB -1.038 37.443 38.487 -0.009 0.000 1.088 2570 N HN 0.552 nan 8.380 nan 0.000 0.695 2571 M N 3.008 122.596 119.600 -0.020 0.000 2.248 2571 M HA 0.046 4.526 4.480 0.000 0.000 0.345 2571 M C 0.326 176.597 176.300 -0.048 0.000 1.243 2571 M CA 0.412 55.700 55.300 -0.021 0.000 1.090 2571 M CB 0.458 33.050 32.600 -0.015 0.000 1.683 2571 M HN 0.100 nan 8.290 nan 0.000 0.450 2572 K N 5.158 125.524 120.400 -0.056 0.000 2.164 2572 K HA 0.600 4.920 4.320 0.000 0.000 0.258 2572 K C -1.124 175.371 176.600 -0.174 0.000 0.951 2572 K CA -0.959 55.245 56.287 -0.140 0.000 0.844 2572 K CB 2.028 34.449 32.500 -0.132 0.000 1.099 2572 K HN 0.792 nan 8.250 nan 0.000 0.435 2573 R N 2.649 122.959 120.500 -0.316 0.000 2.673 2573 R HA 0.306 4.646 4.340 0.000 0.000 0.281 2573 R C -1.656 174.363 176.300 -0.467 0.000 0.991 2573 R CA -0.670 55.279 56.100 -0.251 0.000 0.896 2573 R CB 1.319 31.553 30.300 -0.111 0.000 1.201 2573 R HN 0.735 nan 8.270 nan 0.000 0.457 2574 Y N 4.269 124.554 120.300 -0.026 0.000 2.429 2574 Y HA 0.547 5.097 4.550 0.000 0.000 0.342 2574 Y C 0.376 176.258 175.900 -0.028 0.000 1.004 2574 Y CA -0.876 57.204 58.100 -0.033 0.000 1.075 2574 Y CB 2.128 40.559 38.460 -0.048 0.000 1.214 2574 Y HN 0.389 nan 8.280 nan 0.000 0.455 2575 M N 1.084 120.748 119.600 0.105 0.000 2.465 2575 M HA 0.772 5.252 4.480 0.000 0.000 0.284 2575 M C 0.043 176.362 176.300 0.031 0.000 1.212 2575 M CA -0.297 55.032 55.300 0.048 0.000 0.910 2575 M CB 1.274 33.883 32.600 0.015 0.000 1.725 2575 M HN 0.835 nan 8.290 nan 0.000 0.477 2576 G N 3.244 112.051 108.800 0.011 0.000 2.591 2576 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 2576 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 2576 G C 0.563 175.457 174.900 -0.010 0.000 1.195 2576 G CA 0.827 45.922 45.100 -0.009 0.000 0.989 2576 G HN 0.944 nan 8.290 nan 0.000 0.551 2577 R N 0.751 121.243 120.500 -0.013 0.000 2.237 2577 R HA 0.050 4.390 4.340 0.000 0.000 0.219 2577 R C 1.961 178.263 176.300 0.004 0.000 1.080 2577 R CA 1.259 57.351 56.100 -0.014 0.000 0.995 2577 R CB -0.197 30.092 30.300 -0.017 0.000 0.875 2577 R HN 0.500 nan 8.270 nan 0.000 0.462 2578 D N 0.588 121.007 120.400 0.030 0.000 2.162 2578 D HA -0.039 4.601 4.640 0.000 0.000 0.203 2578 D C 1.800 178.154 176.300 0.090 0.000 0.967 2578 D CA 1.206 55.253 54.000 0.078 0.000 0.840 2578 D CB -0.118 40.751 40.800 0.115 0.000 0.972 2578 D HN 0.182 nan 8.370 nan 0.000 0.482 2579 A N 0.923 123.791 122.820 0.081 0.000 1.933 2579 A HA -0.184 4.136 4.320 0.000 0.000 0.218 2579 A C 2.076 179.630 177.584 -0.051 0.000 1.175 2579 A CA 1.197 53.257 52.037 0.039 0.000 0.628 2579 A CB -0.317 18.712 19.000 0.049 0.000 0.814 2579 A HN 0.082 nan 8.150 nan 0.000 0.444 2580 Q N -0.804 118.975 119.800 -0.035 0.000 2.123 2580 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 2580 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 2580 Q CA 1.552 57.327 55.803 -0.047 0.000 0.845 2580 Q CB -0.384 28.332 28.738 -0.038 0.000 0.907 2580 Q HN 0.628 nan 8.270 nan 0.000 0.439 2581 R N 1.033 121.502 120.500 -0.051 0.000 2.083 2581 R HA -0.079 4.261 4.340 0.000 0.000 0.237 2581 R C 2.096 178.328 176.300 -0.113 0.000 1.137 2581 R CA 1.487 57.554 56.100 -0.055 0.000 0.951 2581 R CB -0.600 29.687 30.300 -0.023 0.000 0.851 2581 R HN 0.181 nan 8.270 nan 0.000 0.434 2582 M N 0.452 119.929 119.600 -0.206 0.000 2.132 2582 M HA -0.119 4.361 4.480 0.000 0.000 0.263 2582 M C 0.984 177.079 176.300 -0.340 0.000 1.065 2582 M CA 1.793 56.851 55.300 -0.402 0.000 1.122 2582 M CB -0.702 31.402 32.600 -0.827 0.000 1.365 2582 M HN 0.154 nan 8.290 nan 0.000 0.411 2583 N N 0.993 119.550 118.700 -0.239 0.000 2.166 2583 N HA -0.110 4.631 4.740 0.000 0.000 0.186 2583 N C 1.739 177.202 175.510 -0.078 0.000 1.019 2583 N CA 1.333 54.296 53.050 -0.145 0.000 0.856 2583 N CB -0.398 38.031 38.487 -0.096 0.000 0.993 2583 N HN 0.359 nan 8.380 nan 0.000 0.426 2584 I N 1.025 121.557 120.570 -0.065 0.000 2.252 2584 I HA -0.134 4.036 4.170 0.000 0.000 0.245 2584 I C 2.191 178.296 176.117 -0.020 0.000 1.102 2584 I CA 0.682 61.965 61.300 -0.027 0.000 1.385 2584 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 2584 I HN 0.101 nan 8.210 nan 0.000 0.414 2585 L N 0.583 121.784 121.223 -0.038 0.000 2.083 2585 L HA -0.180 4.160 4.340 0.000 0.000 0.209 2585 L C 2.805 179.705 176.870 0.050 0.000 1.083 2585 L CA 1.243 56.080 54.840 -0.005 0.000 0.752 2585 L CB -0.633 41.414 42.059 -0.021 0.000 0.899 2585 L HN 0.183 nan 8.230 nan 0.000 0.433 2586 A N 0.316 123.165 122.820 0.049 0.000 1.858 2586 A HA -0.139 4.181 4.320 0.000 0.000 0.216 2586 A C 2.396 180.029 177.584 0.082 0.000 1.190 2586 A CA 1.866 54.013 52.037 0.184 0.000 0.617 2586 A CB -1.322 17.740 19.000 0.104 0.000 0.827 2586 A HN 0.424 nan 8.150 nan 0.000 0.443 2587 G N -0.910 107.911 108.800 0.035 0.000 2.408 2587 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 2587 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 2587 G C 1.700 176.608 174.900 0.013 0.000 1.150 2587 G CA 1.174 46.286 45.100 0.020 0.000 0.776 2587 G HN 0.514 nan 8.290 nan 0.000 0.542 2588 R N 0.515 121.023 120.500 0.013 0.000 2.081 2588 R HA 0.094 4.434 4.340 0.000 0.000 0.235 2588 R C 2.433 178.736 176.300 0.006 0.000 1.131 2588 R CA 1.127 57.231 56.100 0.006 0.000 0.960 2588 R CB -0.591 29.712 30.300 0.006 0.000 0.856 2588 R HN 0.427 nan 8.270 nan 0.000 0.436 2589 I N 0.070 120.649 120.570 0.016 0.000 2.202 2589 I HA -0.249 3.921 4.170 0.000 0.000 0.242 2589 I C 1.785 177.899 176.117 -0.005 0.000 1.091 2589 I CA 0.765 62.069 61.300 0.008 0.000 1.368 2589 I CB -0.266 37.744 38.000 0.016 0.000 1.058 2589 I HN 0.144 nan 8.210 nan 0.000 0.410 2590 I N 1.197 121.766 120.570 -0.002 0.000 2.163 2590 I HA -0.303 3.867 4.170 0.000 0.000 0.243 2590 I C 2.818 178.927 176.117 -0.013 0.000 1.085 2590 I CA 1.916 63.210 61.300 -0.010 0.000 1.347 2590 I CB -1.490 36.507 38.000 -0.005 0.000 1.044 2590 I HN 0.204 nan 8.210 nan 0.000 0.408 2591 A N 0.192 123.006 122.820 -0.010 0.000 1.930 2591 A HA -0.214 4.106 4.320 0.000 0.000 0.217 2591 A C 2.261 179.833 177.584 -0.019 0.000 1.175 2591 A CA 1.682 53.709 52.037 -0.016 0.000 0.627 2591 A CB -0.502 18.488 19.000 -0.017 0.000 0.815 2591 A HN 0.407 nan 8.150 nan 0.000 0.443 2592 E N 0.328 120.519 120.200 -0.015 0.000 2.110 2592 E HA -0.146 4.204 4.350 0.000 0.000 0.193 2592 E C 2.040 178.629 176.600 -0.019 0.000 0.988 2592 E CA 2.222 58.612 56.400 -0.016 0.000 0.804 2592 E CB -0.439 29.254 29.700 -0.011 0.000 0.745 2592 E HN 0.663 nan 8.360 nan 0.000 0.458 2593 T N -2.650 111.893 114.554 -0.019 0.000 2.976 2593 T HA 0.026 4.376 4.350 0.000 0.000 0.257 2593 T C 1.957 176.644 174.700 -0.022 0.000 1.051 2593 T CA 0.806 62.893 62.100 -0.021 0.000 1.141 2593 T CB -0.408 68.447 68.868 -0.023 0.000 0.881 2593 T HN 0.034 nan 8.240 nan 0.000 0.461 2594 V N 2.852 122.753 119.914 -0.021 0.000 2.788 2594 V HA 0.032 4.152 4.120 0.000 0.000 0.251 2594 V C 2.885 178.964 176.094 -0.024 0.000 1.068 2594 V CA 1.415 63.702 62.300 -0.022 0.000 1.090 2594 V CB -0.583 31.228 31.823 -0.020 0.000 0.710 2594 V HN 0.647 nan 8.190 nan 0.000 0.467 2595 R N 0.986 121.470 120.500 -0.026 0.000 2.200 2595 R HA -0.115 4.225 4.340 0.000 0.000 0.234 2595 R C 1.912 178.193 176.300 -0.031 0.000 1.127 2595 R CA 1.771 57.853 56.100 -0.030 0.000 0.989 2595 R CB -1.028 29.253 30.300 -0.031 0.000 0.869 2595 R HN 0.628 nan 8.270 nan 0.000 0.459 2596 S N 0.241 115.924 115.700 -0.029 0.000 2.595 2596 S HA -0.084 4.386 4.470 0.000 0.000 0.235 2596 S C 1.653 176.234 174.600 -0.031 0.000 0.974 2596 S CA 0.874 59.055 58.200 -0.031 0.000 0.942 2596 S CB -0.067 63.117 63.200 -0.028 0.000 0.766 2596 S HN 0.610 nan 8.310 nan 0.000 0.536 2597 T N -1.167 113.370 114.554 -0.029 0.000 3.037 2597 T HA 0.311 4.661 4.350 0.000 0.000 0.251 2597 T C 0.421 175.103 174.700 -0.030 0.000 1.079 2597 T CA -0.476 61.608 62.100 -0.027 0.000 1.067 2597 T CB -0.468 68.386 68.868 -0.022 0.000 0.948 2597 T HN 0.276 nan 8.240 nan 0.000 0.496 2598 L N 2.897 124.100 121.223 -0.034 0.000 2.462 2598 L HA 0.515 4.856 4.340 0.000 0.000 0.272 2598 L C 0.704 177.546 176.870 -0.046 0.000 1.166 2598 L CA 1.618 56.436 54.840 -0.036 0.000 0.880 2598 L CB -0.670 41.367 42.059 -0.038 0.000 1.142 2598 L HN 0.735 nan 8.230 nan 0.000 0.473 2599 G N 4.037 112.812 108.800 -0.042 0.000 2.663 2599 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 2599 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 2599 G C -2.098 172.762 174.900 -0.068 0.000 1.288 2599 G CA -0.459 44.606 45.100 -0.058 0.000 0.836 2599 G HN 0.482 nan 8.290 nan 0.000 0.584 2600 P HA -0.016 nan 4.420 nan 0.000 0.218 2600 P C 1.408 178.614 177.300 -0.157 0.000 1.148 2600 P CA 1.494 64.524 63.100 -0.118 0.000 0.822 2600 P CB 0.047 31.577 31.700 -0.283 0.000 0.784 2601 K N -0.692 119.589 120.400 -0.198 0.000 2.446 2601 K HA 0.257 4.577 4.320 0.000 0.000 0.203 2601 K C 0.952 177.497 176.600 -0.090 0.000 1.027 2601 K CA -0.189 56.007 56.287 -0.152 0.000 1.166 2601 K CB -0.373 32.017 32.500 -0.183 0.000 0.869 2601 K HN 0.035 nan 8.250 nan 0.000 0.504 2602 G N 0.377 109.134 108.800 -0.072 0.000 2.569 2602 G HA2 0.222 4.182 3.960 0.000 0.000 0.249 2602 G HA3 0.222 4.182 3.960 0.000 0.000 0.249 2602 G C -0.018 174.860 174.900 -0.038 0.000 1.216 2602 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 2602 G HN -0.029 nan 8.290 nan 0.000 0.568 2603 M N -0.047 119.533 119.600 -0.033 0.000 2.705 2603 M HA 0.408 4.888 4.480 0.000 0.000 0.272 2603 M C -0.690 175.596 176.300 -0.024 0.000 1.172 2603 M CA -0.513 54.771 55.300 -0.027 0.000 0.901 2603 M CB 1.403 33.986 32.600 -0.028 0.000 1.516 2603 M HN 0.389 nan 8.290 nan 0.000 0.530 2604 D N -0.220 120.166 120.400 -0.024 0.000 2.269 2604 D HA 0.474 5.114 4.640 0.000 0.000 0.244 2604 D C -0.977 175.307 176.300 -0.026 0.000 0.992 2604 D CA -0.370 53.616 54.000 -0.024 0.000 0.894 2604 D CB 1.412 42.197 40.800 -0.025 0.000 1.248 2604 D HN 0.098 nan 8.370 nan 0.000 0.468 2605 K N 0.741 121.125 120.400 -0.025 0.000 2.123 2605 K HA 0.611 4.931 4.320 0.000 0.000 0.248 2605 K C -0.807 175.775 176.600 -0.030 0.000 0.969 2605 K CA -0.519 55.753 56.287 -0.026 0.000 0.882 2605 K CB 1.317 33.803 32.500 -0.023 0.000 1.080 2605 K HN 0.364 nan 8.250 nan 0.000 0.441 2606 M N 3.308 122.890 119.600 -0.031 0.000 2.022 2606 M HA 0.327 4.808 4.480 0.000 0.000 0.298 2606 M C -1.706 174.578 176.300 -0.028 0.000 0.909 2606 M CA -0.918 54.361 55.300 -0.036 0.000 0.914 2606 M CB 0.568 33.143 32.600 -0.042 0.000 1.486 2606 M HN 0.308 nan 8.290 nan 0.000 0.415 2607 L N 5.056 126.265 121.223 -0.023 0.000 2.275 2607 L HA 0.563 4.903 4.340 0.000 0.000 0.288 2607 L C -0.680 176.182 176.870 -0.013 0.000 1.046 2607 L CA -0.322 54.507 54.840 -0.017 0.000 0.805 2607 L CB 1.740 43.790 42.059 -0.014 0.000 1.193 2607 L HN 0.360 nan 8.230 nan 0.000 0.426 2608 V N 2.579 122.485 119.914 -0.012 0.000 2.409 2608 V HA 0.349 4.469 4.120 0.000 0.000 0.291 2608 V C -0.058 176.033 176.094 -0.005 0.000 1.020 2608 V CA -0.856 61.439 62.300 -0.008 0.000 0.848 2608 V CB 1.565 33.382 31.823 -0.009 0.000 0.990 2608 V HN 0.633 nan 8.190 nan 0.000 0.430 2609 D N 2.505 122.904 120.400 -0.001 0.000 2.384 2609 D HA 0.045 4.685 4.640 0.000 0.000 0.244 2609 D C 1.021 177.320 176.300 -0.001 0.000 1.251 2609 D CA -0.114 53.886 54.000 -0.001 0.000 0.961 2609 D CB 1.274 42.076 40.800 0.002 0.000 1.116 2609 D HN 0.704 nan 8.370 nan 0.000 0.484 2610 D N -0.478 119.921 120.400 -0.001 0.000 2.263 2610 D HA -0.116 4.524 4.640 0.000 0.000 0.208 2610 D C 1.530 177.830 176.300 0.001 0.000 0.971 2610 D CA 0.832 54.831 54.000 -0.001 0.000 0.867 2610 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 2610 D HN 0.118 nan 8.370 nan 0.000 0.492 2611 L N -1.169 120.055 121.223 0.002 0.000 2.509 2611 L HA 0.344 4.684 4.340 0.000 0.000 0.222 2611 L C 2.047 178.920 176.870 0.005 0.000 1.123 2611 L CA 0.997 55.839 54.840 0.003 0.000 0.856 2611 L CB 0.135 42.197 42.059 0.004 0.000 0.985 2611 L HN 0.268 nan 8.230 nan 0.000 0.456 2612 G N -1.539 107.264 108.800 0.004 0.000 2.201 2612 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 2612 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 2612 G C 0.281 175.187 174.900 0.009 0.000 0.994 2612 G CA 0.069 45.172 45.100 0.006 0.000 0.644 2612 G HN 0.317 nan 8.290 nan 0.000 0.508 2613 D N 1.195 121.602 120.400 0.011 0.000 2.487 2613 D HA 0.355 4.995 4.640 0.000 0.000 0.243 2613 D C 0.460 176.770 176.300 0.017 0.000 1.154 2613 D CA 0.390 54.401 54.000 0.018 0.000 0.876 2613 D CB 1.056 41.867 40.800 0.017 0.000 1.161 2613 D HN 0.257 nan 8.370 nan 0.000 0.478 2614 V N 4.940 124.870 119.914 0.027 0.000 2.398 2614 V HA 0.377 4.497 4.120 0.000 0.000 0.286 2614 V C 0.115 176.225 176.094 0.026 0.000 1.026 2614 V CA -0.827 61.482 62.300 0.014 0.000 0.868 2614 V CB 1.684 33.508 31.823 0.002 0.000 0.982 2614 V HN 0.401 nan 8.190 nan 0.000 0.443 2615 V N 6.415 126.331 119.914 0.004 0.000 2.656 2615 V HA 0.675 4.795 4.120 0.000 0.000 0.307 2615 V C -0.774 175.305 176.094 -0.025 0.000 1.051 2615 V CA -0.294 62.012 62.300 0.009 0.000 0.893 2615 V CB 2.341 34.173 31.823 0.016 0.000 0.999 2615 V HN 0.622 nan 8.190 nan 0.000 0.426 2616 V N 5.812 125.703 119.914 -0.038 0.000 2.409 2616 V HA 0.781 4.901 4.120 0.000 0.000 0.291 2616 V C 0.014 176.095 176.094 -0.021 0.000 1.020 2616 V CA -0.087 62.181 62.300 -0.054 0.000 0.848 2616 V CB 1.555 33.313 31.823 -0.108 0.000 0.990 2616 V HN 1.038 nan 8.190 nan 0.000 0.430 2617 T N 2.546 117.089 114.554 -0.018 0.000 2.802 2617 T HA 0.322 4.673 4.350 0.000 0.000 0.311 2617 T C 0.080 174.773 174.700 -0.012 0.000 1.405 2617 T CA -0.378 61.717 62.100 -0.008 0.000 1.016 2617 T CB 2.028 70.895 68.868 -0.002 0.000 1.352 2617 T HN 0.661 nan 8.240 nan 0.000 0.498 2618 N N 1.183 119.879 118.700 -0.008 0.000 2.210 2618 N HA 0.074 4.814 4.740 0.000 0.000 0.203 2618 N C -0.313 175.192 175.510 -0.008 0.000 1.175 2618 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 2618 N CB 0.475 38.958 38.487 -0.008 0.000 1.041 2618 N HN 0.691 nan 8.380 nan 0.000 0.506 2619 D N -0.059 120.338 120.400 -0.005 0.000 2.371 2619 D HA 0.202 4.842 4.640 0.000 0.000 0.256 2619 D C 1.484 177.780 176.300 -0.007 0.000 1.193 2619 D CA 0.207 54.204 54.000 -0.004 0.000 0.881 2619 D CB 1.038 41.838 40.800 -0.001 0.000 1.143 2619 D HN 0.263 nan 8.370 nan 0.000 0.473 2620 G N 2.652 111.447 108.800 -0.008 0.000 2.440 2620 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 2620 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 2620 G C 1.532 176.427 174.900 -0.008 0.000 1.154 2620 G CA 0.756 45.850 45.100 -0.010 0.000 0.767 2620 G HN 0.490 nan 8.290 nan 0.000 0.552 2621 V N 0.841 120.751 119.914 -0.005 0.000 2.261 2621 V HA -0.185 3.935 4.120 0.000 0.000 0.246 2621 V C 3.185 179.277 176.094 -0.004 0.000 1.047 2621 V CA 2.421 64.719 62.300 -0.004 0.000 1.015 2621 V CB -0.912 30.909 31.823 -0.002 0.000 0.642 2621 V HN 0.408 nan 8.190 nan 0.000 0.446 2622 T N 0.311 114.863 114.554 -0.003 0.000 2.684 2622 T HA -0.169 4.181 4.350 0.000 0.000 0.267 2622 T C 1.805 176.502 174.700 -0.005 0.000 1.036 2622 T CA 1.917 64.016 62.100 -0.002 0.000 1.148 2622 T CB -0.315 68.553 68.868 -0.000 0.000 0.863 2622 T HN 0.339 nan 8.240 nan 0.000 0.436 2623 I N 0.321 120.886 120.570 -0.007 0.000 2.179 2623 I HA -0.149 4.021 4.170 0.000 0.000 0.242 2623 I C 2.101 178.211 176.117 -0.012 0.000 1.088 2623 I CA 1.002 62.295 61.300 -0.011 0.000 1.357 2623 I CB -0.282 37.710 38.000 -0.013 0.000 1.051 2623 I HN 0.160 nan 8.210 nan 0.000 0.409 2624 L N 0.112 121.329 121.223 -0.010 0.000 2.109 2624 L HA -0.089 4.251 4.340 0.000 0.000 0.207 2624 L C 2.502 179.366 176.870 -0.008 0.000 1.086 2624 L CA 1.505 56.339 54.840 -0.011 0.000 0.760 2624 L CB -0.945 41.109 42.059 -0.008 0.000 0.910 2624 L HN 0.147 nan 8.230 nan 0.000 0.437 2625 R N -0.142 120.355 120.500 -0.006 0.000 2.075 2625 R HA -0.108 4.232 4.340 0.000 0.000 0.232 2625 R C 1.892 178.189 176.300 -0.005 0.000 1.126 2625 R CA 1.238 57.335 56.100 -0.004 0.000 0.963 2625 R CB 0.092 30.391 30.300 -0.002 0.000 0.858 2625 R HN 0.337 nan 8.270 nan 0.000 0.435 2626 E N 0.886 121.082 120.200 -0.006 0.000 2.086 2626 E HA -0.052 4.298 4.350 0.000 0.000 0.190 2626 E C 1.282 177.877 176.600 -0.009 0.000 0.975 2626 E CA 0.467 56.864 56.400 -0.006 0.000 0.813 2626 E CB -0.359 29.339 29.700 -0.004 0.000 0.768 2626 E HN 0.448 nan 8.360 nan 0.000 0.457 2627 M N -0.020 119.572 119.600 -0.013 0.000 2.240 2627 M HA 0.102 4.582 4.480 0.000 0.000 0.317 2627 M C 0.498 176.786 176.300 -0.020 0.000 1.087 2627 M CA 0.330 55.619 55.300 -0.018 0.000 1.176 2627 M CB 0.570 33.156 32.600 -0.024 0.000 1.439 2627 M HN -0.260 nan 8.290 nan 0.000 0.452 2628 S N 2.319 118.004 115.700 -0.025 0.000 2.473 2628 S HA 0.430 4.900 4.470 0.000 0.000 0.312 2628 S C -0.652 173.924 174.600 -0.041 0.000 1.087 2628 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 2628 S CB -0.236 62.951 63.200 -0.022 0.000 1.065 2628 S HN 0.521 nan 8.310 nan 0.000 0.510 2629 V N 5.071 124.964 119.914 -0.036 0.000 2.546 2629 V HA 0.332 4.452 4.120 0.000 0.000 0.284 2629 V C 1.118 177.188 176.094 -0.041 0.000 1.050 2629 V CA -0.229 62.041 62.300 -0.051 0.000 0.981 2629 V CB 1.513 33.317 31.823 -0.031 0.000 0.990 2629 V HN 0.913 nan 8.190 nan 0.000 0.474 2630 E N 2.478 122.633 120.200 -0.076 0.000 2.256 2630 E HA 0.075 4.426 4.350 0.000 0.000 0.198 2630 E C 0.579 177.227 176.600 0.080 0.000 0.908 2630 E CA 0.436 56.824 56.400 -0.019 0.000 0.915 2630 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 2630 E HN 0.821 nan 8.360 nan 0.000 0.484 2631 H N 1.018 120.074 119.070 -0.023 0.000 2.848 2631 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 2631 H C -1.752 173.554 175.328 -0.035 0.000 1.046 2631 H CA -1.631 54.389 56.048 -0.046 0.000 1.470 2631 H CB 1.368 31.089 29.762 -0.069 0.000 1.483 2631 H HN 0.155 nan 8.280 nan 0.000 0.548 2632 P HA -0.200 nan 4.420 nan 0.000 0.215 2632 P C 1.266 178.581 177.300 0.024 0.000 1.153 2632 P CA 1.503 64.625 63.100 0.036 0.000 0.853 2632 P CB 0.215 31.925 31.700 0.018 0.000 0.788 2633 A N -0.022 122.802 122.820 0.007 0.000 1.930 2633 A HA -0.074 4.246 4.320 0.000 0.000 0.217 2633 A C 2.316 179.914 177.584 0.024 0.000 1.175 2633 A CA 1.934 53.971 52.037 0.001 0.000 0.627 2633 A CB -1.566 17.415 19.000 -0.032 0.000 0.815 2633 A HN 0.188 nan 8.150 nan 0.000 0.443 2634 A N 0.073 122.924 122.820 0.052 0.000 1.933 2634 A HA -0.163 4.157 4.320 0.000 0.000 0.218 2634 A C 2.052 179.650 177.584 0.023 0.000 1.175 2634 A CA 1.753 53.815 52.037 0.041 0.000 0.628 2634 A CB -0.424 18.605 19.000 0.047 0.000 0.814 2634 A HN 0.553 nan 8.150 nan 0.000 0.444 2635 K N -0.954 119.462 120.400 0.026 0.000 2.209 2635 K HA -0.056 4.264 4.320 0.000 0.000 0.204 2635 K C 1.820 178.429 176.600 0.015 0.000 1.048 2635 K CA 1.209 57.507 56.287 0.017 0.000 0.940 2635 K CB -0.189 32.323 32.500 0.020 0.000 0.729 2635 K HN 0.387 nan 8.250 nan 0.000 0.451 2636 M N 0.378 119.987 119.600 0.016 0.000 2.236 2636 M HA -0.041 4.439 4.480 0.000 0.000 0.266 2636 M C 2.177 178.486 176.300 0.014 0.000 1.070 2636 M CA 1.137 56.446 55.300 0.015 0.000 1.137 2636 M CB -0.663 31.946 32.600 0.015 0.000 1.378 2636 M HN 0.176 nan 8.290 nan 0.000 0.426 2637 L N 0.328 121.559 121.223 0.014 0.000 2.131 2637 L HA -0.197 4.143 4.340 0.000 0.000 0.210 2637 L C 2.249 179.124 176.870 0.008 0.000 1.092 2637 L CA 0.888 55.735 54.840 0.012 0.000 0.759 2637 L CB -0.219 41.846 42.059 0.011 0.000 0.903 2637 L HN 0.187 nan 8.230 nan 0.000 0.435 2638 I N -0.241 120.333 120.570 0.007 0.000 2.248 2638 I HA -0.350 3.820 4.170 0.000 0.000 0.248 2638 I C 2.376 178.496 176.117 0.005 0.000 1.107 2638 I CA 1.329 62.632 61.300 0.004 0.000 1.373 2638 I CB -0.212 37.790 38.000 0.003 0.000 1.055 2638 I HN 0.305 nan 8.210 nan 0.000 0.418 2639 E N 0.599 120.803 120.200 0.007 0.000 2.153 2639 E HA -0.153 4.197 4.350 0.000 0.000 0.194 2639 E C 2.135 178.740 176.600 0.008 0.000 0.988 2639 E CA 0.963 57.368 56.400 0.008 0.000 0.811 2639 E CB 0.003 29.709 29.700 0.010 0.000 0.746 2639 E HN 0.265 nan 8.360 nan 0.000 0.466 2640 V N 0.558 120.478 119.914 0.009 0.000 2.295 2640 V HA -0.287 3.833 4.120 0.000 0.000 0.246 2640 V C 2.304 178.401 176.094 0.004 0.000 1.049 2640 V CA 1.891 64.197 62.300 0.009 0.000 1.024 2640 V CB -0.895 30.934 31.823 0.010 0.000 0.648 2640 V HN 0.444 nan 8.190 nan 0.000 0.447 2641 A N -0.492 122.330 122.820 0.002 0.000 1.972 2641 A HA -0.220 4.100 4.320 0.000 0.000 0.219 2641 A C 2.280 179.864 177.584 0.000 0.000 1.169 2641 A CA 1.845 53.882 52.037 -0.001 0.000 0.635 2641 A CB -0.403 18.596 19.000 -0.002 0.000 0.810 2641 A HN 0.557 nan 8.150 nan 0.000 0.446 2642 K N -0.534 119.867 120.400 0.002 0.000 2.097 2642 K HA -0.101 4.219 4.320 0.000 0.000 0.205 2642 K C 2.188 178.790 176.600 0.002 0.000 1.050 2642 K CA 1.727 58.015 56.287 0.002 0.000 0.938 2642 K CB -0.304 32.197 32.500 0.003 0.000 0.718 2642 K HN 0.729 nan 8.250 nan 0.000 0.442 2643 T N -1.302 113.254 114.554 0.004 0.000 2.951 2643 T HA -0.138 4.212 4.350 0.000 0.000 0.268 2643 T C 1.985 176.687 174.700 0.003 0.000 1.073 2643 T CA 0.817 62.919 62.100 0.004 0.000 1.134 2643 T CB -0.001 68.871 68.868 0.006 0.000 0.884 2643 T HN 0.034 nan 8.240 nan 0.000 0.479 2644 Q N 1.208 121.010 119.800 0.002 0.000 2.079 2644 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 2644 Q C 2.439 178.439 176.000 0.001 0.000 0.974 2644 Q CA 1.450 57.254 55.803 0.001 0.000 0.840 2644 Q CB -0.398 28.340 28.738 -0.000 0.000 0.898 2644 Q HN 0.523 nan 8.270 nan 0.000 0.430 2645 E N -0.084 120.116 120.200 0.000 0.000 2.085 2645 E HA -0.205 4.145 4.350 0.000 0.000 0.194 2645 E C 1.613 178.212 176.600 -0.000 0.000 0.994 2645 E CA 1.149 57.549 56.400 -0.000 0.000 0.801 2645 E CB 0.158 29.857 29.700 -0.001 0.000 0.743 2645 E HN 0.233 nan 8.360 nan 0.000 0.453 2646 K N 0.378 120.779 120.400 0.000 0.000 2.031 2646 K HA -0.133 4.187 4.320 0.000 0.000 0.205 2646 K C 2.129 178.729 176.600 0.000 0.000 1.049 2646 K CA 1.071 57.358 56.287 -0.000 0.000 0.939 2646 K CB -0.280 32.220 32.500 0.000 0.000 0.717 2646 K HN 0.051 nan 8.250 nan 0.000 0.438 2647 E N 0.839 121.039 120.200 0.001 0.000 2.076 2647 E HA -0.107 4.243 4.350 0.000 0.000 0.190 2647 E C 1.719 178.320 176.600 0.001 0.000 0.979 2647 E CA 1.299 57.700 56.400 0.001 0.000 0.807 2647 E CB 0.285 29.987 29.700 0.002 0.000 0.761 2647 E HN 0.088 nan 8.360 nan 0.000 0.454 2648 V N -4.932 114.983 119.914 0.001 0.000 3.473 2648 V HA 0.584 4.704 4.120 0.000 0.000 0.253 2648 V C 1.484 177.579 176.094 0.001 0.000 1.340 2648 V CA 0.850 63.151 62.300 0.001 0.000 1.103 2648 V CB 0.451 32.275 31.823 0.002 0.000 0.881 2648 V HN 0.340 nan 8.190 nan 0.000 0.451 2649 G N 0.686 109.486 108.800 0.000 0.000 3.586 2649 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 2649 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 2649 G C 0.166 175.066 174.900 0.001 0.000 1.411 2649 G CA 0.468 45.568 45.100 0.000 0.000 0.898 2649 G HN 0.654 nan 8.290 nan 0.000 0.575 2650 D N 1.167 121.568 120.400 0.002 0.000 2.478 2650 D HA 0.480 5.120 4.640 0.000 0.000 0.269 2650 D C 1.537 177.837 176.300 0.000 0.000 1.232 2650 D CA 1.219 55.220 54.000 0.002 0.000 1.059 2650 D CB 0.616 41.419 40.800 0.005 0.000 1.104 2650 D HN 1.611 nan 8.370 nan 0.000 0.566 2651 G N -0.343 108.456 108.800 -0.001 0.000 2.153 2651 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 2651 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 2651 G C 1.037 175.933 174.900 -0.008 0.000 0.994 2651 G CA 1.516 46.612 45.100 -0.005 0.000 0.698 2651 G HN 0.584 nan 8.290 nan 0.000 0.521 2652 T N -2.946 111.604 114.554 -0.006 0.000 2.746 2652 T HA -0.113 4.237 4.350 0.000 0.000 0.267 2652 T C 2.215 176.909 174.700 -0.010 0.000 1.039 2652 T CA 2.421 64.517 62.100 -0.007 0.000 1.142 2652 T CB -0.564 68.300 68.868 -0.005 0.000 0.866 2652 T HN 0.308 nan 8.240 nan 0.000 0.444 2653 T N 2.007 116.554 114.554 -0.013 0.000 2.737 2653 T HA -0.086 4.264 4.350 0.000 0.000 0.265 2653 T C 2.280 176.967 174.700 -0.022 0.000 1.038 2653 T CA 1.816 63.906 62.100 -0.017 0.000 1.144 2653 T CB -0.989 67.868 68.868 -0.019 0.000 0.866 2653 T HN 0.518 nan 8.240 nan 0.000 0.434 2654 T N 2.233 116.773 114.554 -0.022 0.000 2.665 2654 T HA -0.135 4.215 4.350 0.000 0.000 0.268 2654 T C 2.371 177.052 174.700 -0.032 0.000 1.035 2654 T CA 1.334 63.417 62.100 -0.029 0.000 1.151 2654 T CB -0.630 68.223 68.868 -0.025 0.000 0.862 2654 T HN 0.447 nan 8.240 nan 0.000 0.438 2655 A N 0.759 123.565 122.820 -0.023 0.000 1.940 2655 A HA -0.057 4.263 4.320 0.000 0.000 0.219 2655 A C 2.592 180.162 177.584 -0.023 0.000 1.176 2655 A CA 1.453 53.478 52.037 -0.021 0.000 0.631 2655 A CB -0.909 18.084 19.000 -0.011 0.000 0.814 2655 A HN 0.386 nan 8.150 nan 0.000 0.446 2656 V N -0.653 119.248 119.914 -0.020 0.000 2.379 2656 V HA -0.178 3.942 4.120 0.000 0.000 0.245 2656 V C 2.552 178.629 176.094 -0.028 0.000 1.044 2656 V CA 1.734 64.023 62.300 -0.019 0.000 1.036 2656 V CB -0.629 31.185 31.823 -0.015 0.000 0.664 2656 V HN 0.363 nan 8.190 nan 0.000 0.453 2657 V N -0.449 119.444 119.914 -0.034 0.000 2.295 2657 V HA -0.218 3.902 4.120 0.000 0.000 0.246 2657 V C 2.465 178.523 176.094 -0.059 0.000 1.049 2657 V CA 2.129 64.403 62.300 -0.043 0.000 1.024 2657 V CB -0.377 31.420 31.823 -0.044 0.000 0.648 2657 V HN 0.425 nan 8.190 nan 0.000 0.447 2658 V N -0.019 119.851 119.914 -0.072 0.000 2.515 2658 V HA -0.183 3.937 4.120 0.000 0.000 0.250 2658 V C 2.525 178.548 176.094 -0.118 0.000 1.058 2658 V CA 1.998 64.231 62.300 -0.112 0.000 1.064 2658 V CB -0.277 31.472 31.823 -0.124 0.000 0.675 2658 V HN 0.522 nan 8.190 nan 0.000 0.461 2659 A N -0.139 122.639 122.820 -0.071 0.000 1.898 2659 A HA 0.004 4.324 4.320 0.000 0.000 0.216 2659 A C 2.342 179.910 177.584 -0.027 0.000 1.181 2659 A CA 1.701 53.714 52.037 -0.041 0.000 0.620 2659 A CB -1.231 17.762 19.000 -0.012 0.000 0.819 2659 A HN 0.599 nan 8.150 nan 0.000 0.442 2660 G N -0.492 108.290 108.800 -0.029 0.000 2.408 2660 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 2660 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 2660 G C 1.461 176.347 174.900 -0.024 0.000 1.150 2660 G CA 1.285 46.375 45.100 -0.018 0.000 0.776 2660 G HN 0.583 nan 8.290 nan 0.000 0.542 2661 E N 0.252 120.421 120.200 -0.051 0.000 2.107 2661 E HA 0.040 4.390 4.350 0.000 0.000 0.191 2661 E C 2.454 179.014 176.600 -0.067 0.000 0.982 2661 E CA 0.435 56.797 56.400 -0.063 0.000 0.809 2661 E CB -0.351 29.293 29.700 -0.093 0.000 0.756 2661 E HN 0.416 nan 8.360 nan 0.000 0.459 2662 L N 0.032 121.195 121.223 -0.100 0.000 2.083 2662 L HA -0.160 4.180 4.340 0.000 0.000 0.209 2662 L C 2.373 179.305 176.870 0.104 0.000 1.083 2662 L CA 0.948 55.731 54.840 -0.096 0.000 0.752 2662 L CB -0.336 41.617 42.059 -0.176 0.000 0.899 2662 L HN 0.249 nan 8.230 nan 0.000 0.433 2663 L N -0.863 120.406 121.223 0.077 0.000 2.156 2663 L HA -0.166 4.174 4.340 0.000 0.000 0.208 2663 L C 2.732 179.638 176.870 0.061 0.000 1.095 2663 L CA 0.612 55.505 54.840 0.088 0.000 0.770 2663 L CB -0.387 41.702 42.059 0.049 0.000 0.914 2663 L HN 0.202 nan 8.230 nan 0.000 0.439 2664 R N 0.902 121.422 120.500 0.034 0.000 2.081 2664 R HA -0.169 4.171 4.340 0.000 0.000 0.235 2664 R C 2.116 178.440 176.300 0.040 0.000 1.131 2664 R CA 1.593 57.707 56.100 0.023 0.000 0.960 2664 R CB -0.098 30.203 30.300 0.003 0.000 0.856 2664 R HN 0.008 nan 8.270 nan 0.000 0.436 2665 K N -0.235 120.200 120.400 0.059 0.000 2.155 2665 K HA 0.144 4.464 4.320 0.000 0.000 0.203 2665 K C 1.817 178.501 176.600 0.141 0.000 1.052 2665 K CA 1.305 57.646 56.287 0.090 0.000 0.948 2665 K CB -0.283 32.270 32.500 0.088 0.000 0.728 2665 K HN 0.292 nan 8.250 nan 0.000 0.448 2666 A N 0.750 123.683 122.820 0.187 0.000 1.902 2666 A HA -0.218 4.102 4.320 0.000 0.000 0.217 2666 A C 2.122 179.732 177.584 0.042 0.000 1.181 2666 A CA 1.808 53.928 52.037 0.137 0.000 0.623 2666 A CB -0.480 18.609 19.000 0.148 0.000 0.818 2666 A HN 0.442 nan 8.150 nan 0.000 0.443 2667 E N -0.321 119.902 120.200 0.039 0.000 2.110 2667 E HA -0.215 4.135 4.350 0.000 0.000 0.193 2667 E C 1.723 178.330 176.600 0.012 0.000 0.988 2667 E CA 1.240 57.648 56.400 0.013 0.000 0.804 2667 E CB -0.056 29.650 29.700 0.010 0.000 0.745 2667 E HN 0.563 nan 8.360 nan 0.000 0.458 2668 E N 0.224 120.440 120.200 0.026 0.000 2.106 2668 E HA -0.160 4.190 4.350 0.000 0.000 0.192 2668 E C 2.088 178.702 176.600 0.022 0.000 0.984 2668 E CA 0.556 56.970 56.400 0.024 0.000 0.806 2668 E CB -0.073 29.646 29.700 0.031 0.000 0.750 2668 E HN 0.274 nan 8.360 nan 0.000 0.458 2669 L N 0.437 121.678 121.223 0.029 0.000 2.156 2669 L HA -0.086 4.254 4.340 0.000 0.000 0.208 2669 L C 2.383 179.249 176.870 -0.006 0.000 1.095 2669 L CA 1.049 55.901 54.840 0.020 0.000 0.770 2669 L CB -0.672 41.404 42.059 0.028 0.000 0.914 2669 L HN 0.084 nan 8.230 nan 0.000 0.439 2670 L N -0.963 120.249 121.223 -0.019 0.000 2.093 2670 L HA -0.187 4.153 4.340 0.000 0.000 0.208 2670 L C 1.981 178.837 176.870 -0.024 0.000 1.085 2670 L CA 0.910 55.729 54.840 -0.035 0.000 0.755 2670 L CB -0.525 41.509 42.059 -0.042 0.000 0.904 2670 L HN 0.232 nan 8.230 nan 0.000 0.435 2671 D N -0.567 119.826 120.400 -0.011 0.000 2.224 2671 D HA -0.133 4.507 4.640 0.000 0.000 0.205 2671 D C 2.017 178.316 176.300 -0.002 0.000 0.965 2671 D CA 0.804 54.801 54.000 -0.006 0.000 0.852 2671 D CB -0.030 40.770 40.800 -0.000 0.000 0.947 2671 D HN 0.262 nan 8.370 nan 0.000 0.494 2672 Q N 0.467 120.269 119.800 0.002 0.000 2.415 2672 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 2672 Q C 0.048 176.051 176.000 0.005 0.000 0.946 2672 Q CA 0.011 55.818 55.803 0.007 0.000 0.951 2672 Q CB -0.159 28.588 28.738 0.015 0.000 1.026 2672 Q HN 0.176 nan 8.270 nan 0.000 0.510 2673 N N -0.340 118.358 118.700 -0.002 0.000 2.754 2673 N HA -0.155 4.585 4.740 0.000 0.000 0.248 2673 N C -1.365 174.149 175.510 0.008 0.000 1.093 2673 N CA 0.301 53.350 53.050 -0.002 0.000 0.699 2673 N CB -1.298 37.192 38.487 0.005 0.000 1.016 2673 N HN -0.029 nan 8.380 nan 0.000 0.552 2674 V N 2.113 122.028 119.914 0.001 0.000 2.385 2674 V HA 0.129 4.249 4.120 0.000 0.000 0.269 2674 V C 1.002 177.098 176.094 0.004 0.000 1.043 2674 V CA -0.798 61.510 62.300 0.014 0.000 0.906 2674 V CB 1.030 32.856 31.823 0.005 0.000 0.995 2674 V HN 0.347 nan 8.190 nan 0.000 0.467 2675 H N 8.246 127.299 119.070 -0.028 0.000 3.094 2675 H HA 0.016 4.573 4.556 0.000 0.000 0.320 2675 H C -1.667 173.633 175.328 -0.046 0.000 1.000 2675 H CA -1.054 54.976 56.048 -0.030 0.000 1.413 2675 H CB 1.574 31.321 29.762 -0.025 0.000 1.405 2675 H HN 0.385 nan 8.280 nan 0.000 0.586 2676 P HA -0.187 nan 4.420 nan 0.000 0.217 2676 P C 1.428 178.749 177.300 0.035 0.000 1.148 2676 P CA 2.563 65.595 63.100 -0.113 0.000 0.834 2676 P CB 0.026 31.619 31.700 -0.178 0.000 0.783 2677 T N -4.236 110.480 114.554 0.270 0.000 2.995 2677 T HA -0.034 4.316 4.350 0.000 0.000 0.269 2677 T C 1.702 176.436 174.700 0.056 0.000 1.091 2677 T CA 0.653 62.841 62.100 0.146 0.000 1.128 2677 T CB -0.753 68.188 68.868 0.122 0.000 0.891 2677 T HN -0.082 nan 8.240 nan 0.000 0.492 2678 I N 1.194 121.807 120.570 0.072 0.000 2.333 2678 I HA 0.010 4.180 4.170 0.000 0.000 0.246 2678 I C 2.657 178.747 176.117 -0.044 0.000 1.106 2678 I CA 0.501 61.810 61.300 0.014 0.000 1.411 2678 I CB -1.104 36.916 38.000 0.033 0.000 1.082 2678 I HN 0.175 nan 8.210 nan 0.000 0.420 2679 V N 1.546 121.399 119.914 -0.102 0.000 2.295 2679 V HA -0.219 3.901 4.120 0.000 0.000 0.246 2679 V C 2.732 178.570 176.094 -0.426 0.000 1.049 2679 V CA 1.992 64.115 62.300 -0.295 0.000 1.024 2679 V CB -0.800 30.827 31.823 -0.326 0.000 0.648 2679 V HN 0.414 nan 8.190 nan 0.000 0.447 2680 V N -0.888 118.890 119.914 -0.226 0.000 2.667 2680 V HA -0.106 4.014 4.120 0.000 0.000 0.252 2680 V C 2.361 178.437 176.094 -0.030 0.000 1.065 2680 V CA 2.116 64.342 62.300 -0.123 0.000 1.083 2680 V CB -0.685 31.106 31.823 -0.053 0.000 0.692 2680 V HN 0.493 nan 8.190 nan 0.000 0.468 2681 K N 2.234 122.618 120.400 -0.027 0.000 2.025 2681 K HA 0.097 4.417 4.320 0.000 0.000 0.207 2681 K C 2.136 178.754 176.600 0.029 0.000 1.049 2681 K CA 2.082 58.371 56.287 0.004 0.000 0.933 2681 K CB -1.326 31.174 32.500 -0.001 0.000 0.714 2681 K HN 0.435 nan 8.250 nan 0.000 0.438 2682 G N -0.751 108.074 108.800 0.042 0.000 2.422 2682 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 2682 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 2682 G C 1.170 176.173 174.900 0.172 0.000 1.146 2682 G CA 0.827 45.997 45.100 0.117 0.000 0.769 2682 G HN 0.290 nan 8.290 nan 0.000 0.547 2683 Y N 0.312 120.562 120.300 -0.083 0.000 2.314 2683 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 2683 Y C 2.860 178.581 175.900 -0.298 0.000 1.129 2683 Y CA 0.897 58.875 58.100 -0.203 0.000 1.201 2683 Y CB -0.784 37.718 38.460 0.070 0.000 0.999 2683 Y HN 0.261 nan 8.280 nan 0.000 0.541 2684 Q N 0.383 120.204 119.800 0.035 0.000 2.079 2684 Q HA -0.056 4.285 4.340 0.000 0.000 0.200 2684 Q C 2.356 178.310 176.000 -0.077 0.000 0.974 2684 Q CA 1.753 57.547 55.803 -0.015 0.000 0.840 2684 Q CB -0.473 28.275 28.738 0.015 0.000 0.898 2684 Q HN 0.324 nan 8.270 nan 0.000 0.430 2685 A N 0.252 123.047 122.820 -0.041 0.000 1.873 2685 A HA -0.003 4.318 4.320 0.000 0.000 0.215 2685 A C 2.271 179.788 177.584 -0.112 0.000 1.186 2685 A CA 1.868 53.911 52.037 0.010 0.000 0.616 2685 A CB -1.143 17.942 19.000 0.141 0.000 0.823 2685 A HN 0.499 nan 8.150 nan 0.000 0.442 2686 A N -0.341 122.317 122.820 -0.270 0.000 1.930 2686 A HA 0.249 4.569 4.320 0.000 0.000 0.217 2686 A C 2.443 179.622 177.584 -0.676 0.000 1.175 2686 A CA 1.819 53.541 52.037 -0.526 0.000 0.627 2686 A CB -0.842 17.680 19.000 -0.796 0.000 0.815 2686 A HN 0.990 nan 8.150 nan 0.000 0.443 2687 A N -1.150 121.225 122.820 -0.742 0.000 1.930 2687 A HA -0.124 4.197 4.320 0.000 0.000 0.217 2687 A C 2.093 179.581 177.584 -0.160 0.000 1.175 2687 A CA 1.446 53.297 52.037 -0.309 0.000 0.627 2687 A CB -0.378 18.531 19.000 -0.152 0.000 0.815 2687 A HN 0.461 nan 8.150 nan 0.000 0.443 2688 Q N -0.294 119.401 119.800 -0.175 0.000 2.124 2688 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 2688 Q C 2.004 177.902 176.000 -0.170 0.000 0.977 2688 Q CA 1.819 57.546 55.803 -0.126 0.000 0.850 2688 Q CB -0.302 28.381 28.738 -0.091 0.000 0.901 2688 Q HN 0.619 nan 8.270 nan 0.000 0.429 2689 K N 0.886 121.107 120.400 -0.299 0.000 2.103 2689 K HA 0.028 4.348 4.320 0.000 0.000 0.204 2689 K C 1.844 178.317 176.600 -0.211 0.000 1.052 2689 K CA 1.175 57.237 56.287 -0.376 0.000 0.945 2689 K CB -0.414 31.592 32.500 -0.823 0.000 0.722 2689 K HN 0.111 nan 8.250 nan 0.000 0.443 2690 A N 0.355 123.085 122.820 -0.150 0.000 1.933 2690 A HA -0.207 4.113 4.320 0.000 0.000 0.218 2690 A C 2.150 179.719 177.584 -0.025 0.000 1.175 2690 A CA 1.846 53.863 52.037 -0.033 0.000 0.628 2690 A CB -0.653 18.399 19.000 0.086 0.000 0.814 2690 A HN 0.456 nan 8.150 nan 0.000 0.444 2691 Q N 0.095 119.871 119.800 -0.040 0.000 2.084 2691 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 2691 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 2691 Q CA 2.251 58.038 55.803 -0.027 0.000 0.844 2691 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 2691 Q HN 0.763 nan 8.270 nan 0.000 0.426 2692 E N -0.591 119.578 120.200 -0.053 0.000 2.077 2692 E HA -0.170 4.180 4.350 0.000 0.000 0.193 2692 E C 1.902 178.482 176.600 -0.034 0.000 0.989 2692 E CA 1.114 57.486 56.400 -0.045 0.000 0.800 2692 E CB -0.151 29.511 29.700 -0.064 0.000 0.746 2692 E HN 0.452 nan 8.360 nan 0.000 0.452 2693 L N 0.583 121.782 121.223 -0.041 0.000 2.083 2693 L HA -0.188 4.152 4.340 0.000 0.000 0.209 2693 L C 2.547 179.415 176.870 -0.003 0.000 1.083 2693 L CA 0.707 55.536 54.840 -0.020 0.000 0.752 2693 L CB -0.298 41.748 42.059 -0.021 0.000 0.899 2693 L HN 0.258 nan 8.230 nan 0.000 0.433 2694 L N -0.391 120.829 121.223 -0.005 0.000 2.056 2694 L HA -0.202 4.138 4.340 0.000 0.000 0.207 2694 L C 2.527 179.398 176.870 0.002 0.000 1.078 2694 L CA 1.357 56.198 54.840 0.003 0.000 0.749 2694 L CB -0.388 41.672 42.059 0.002 0.000 0.901 2694 L HN 0.198 nan 8.230 nan 0.000 0.433 2695 K N -0.885 119.513 120.400 -0.003 0.000 2.362 2695 K HA -0.073 4.247 4.320 0.000 0.000 0.200 2695 K C 1.855 178.455 176.600 -0.001 0.000 1.046 2695 K CA 1.250 57.536 56.287 -0.002 0.000 0.952 2695 K CB -0.059 32.438 32.500 -0.006 0.000 0.753 2695 K HN 0.283 nan 8.250 nan 0.000 0.466 2696 T N 1.273 115.827 114.554 -0.000 0.000 3.035 2696 T HA 0.046 4.396 4.350 0.000 0.000 0.259 2696 T C 1.735 176.440 174.700 0.007 0.000 1.078 2696 T CA 0.568 62.670 62.100 0.002 0.000 1.132 2696 T CB 0.070 68.939 68.868 0.001 0.000 0.900 2696 T HN 0.347 nan 8.240 nan 0.000 0.480 2697 I N -0.862 119.715 120.570 0.012 0.000 3.968 2697 I HA 0.536 4.706 4.170 0.000 0.000 0.328 2697 I C 0.941 177.067 176.117 0.015 0.000 1.290 2697 I CA -0.673 60.638 61.300 0.018 0.000 1.163 2697 I CB -0.253 37.766 38.000 0.033 0.000 1.024 2697 I HN -0.095 nan 8.210 nan 0.000 0.413 2698 A N 1.596 124.422 122.820 0.011 0.000 2.546 2698 A HA 0.129 4.449 4.320 0.000 0.000 0.243 2698 A C 0.082 177.671 177.584 0.007 0.000 1.063 2698 A CA 0.031 52.073 52.037 0.009 0.000 0.757 2698 A CB -0.243 18.761 19.000 0.006 0.000 0.991 2698 A HN 0.640 nan 8.150 nan 0.000 0.503 2699 C N 3.665 122.970 119.300 0.008 0.000 2.255 2699 C HA 0.539 4.999 4.460 0.000 0.000 0.326 2699 C C 0.356 175.349 174.990 0.005 0.000 1.258 2699 C CA -0.641 58.381 59.018 0.006 0.000 1.676 2699 C CB -0.351 27.394 27.740 0.008 0.000 2.314 2699 C HN 0.941 nan 8.230 nan 0.000 0.509 2700 E N 3.679 123.882 120.200 0.004 0.000 2.351 2700 E HA 0.405 4.755 4.350 0.000 0.000 0.266 2700 E C -0.092 176.509 176.600 0.003 0.000 1.031 2700 E CA 0.230 56.631 56.400 0.003 0.000 0.911 2700 E CB 0.644 30.345 29.700 0.002 0.000 0.986 2700 E HN 0.712 nan 8.360 nan 0.000 0.446 2701 V N 1.473 121.388 119.914 0.003 0.000 3.102 2701 V HA 0.840 4.960 4.120 0.000 0.000 0.312 2701 V C 0.514 176.610 176.094 0.003 0.000 1.135 2701 V CA -0.793 61.508 62.300 0.003 0.000 1.022 2701 V CB 1.645 33.470 31.823 0.003 0.000 1.056 2701 V HN 0.672 nan 8.190 nan 0.000 0.436 2702 G N 0.417 109.218 108.800 0.002 0.000 2.343 2702 G HA2 0.464 4.424 3.960 0.000 0.000 0.254 2702 G HA3 0.464 4.424 3.960 0.000 0.000 0.254 2702 G C 0.994 175.896 174.900 0.003 0.000 1.277 2702 G CA 0.192 45.293 45.100 0.003 0.000 0.909 2702 G HN 1.670 nan 8.290 nan 0.000 0.502 2703 A N 2.139 124.961 122.820 0.003 0.000 1.940 2703 A HA -0.123 4.197 4.320 0.000 0.000 0.219 2703 A C 1.929 179.516 177.584 0.004 0.000 1.176 2703 A CA 1.856 53.895 52.037 0.004 0.000 0.631 2703 A CB -0.069 18.934 19.000 0.004 0.000 0.814 2703 A HN 0.641 nan 8.150 nan 0.000 0.446 2704 Q N -0.484 119.319 119.800 0.004 0.000 2.155 2704 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 2704 Q C -0.829 175.173 176.000 0.003 0.000 0.819 2704 Q CA -0.267 55.539 55.803 0.004 0.000 1.032 2704 Q CB 0.183 28.924 28.738 0.006 0.000 1.151 2704 Q HN 0.579 nan 8.270 nan 0.000 0.487 2705 D N 1.012 121.414 120.400 0.003 0.000 2.412 2705 D HA -0.073 4.567 4.640 0.000 0.000 0.257 2705 D C 1.262 177.563 176.300 0.001 0.000 1.217 2705 D CA 0.222 54.223 54.000 0.002 0.000 0.897 2705 D CB 0.907 41.708 40.800 0.002 0.000 1.132 2705 D HN -0.030 nan 8.370 nan 0.000 0.493 2706 K N 3.486 123.887 120.400 0.001 0.000 2.032 2706 K HA -0.266 4.055 4.320 0.000 0.000 0.218 2706 K C 1.237 177.837 176.600 -0.001 0.000 1.054 2706 K CA 1.546 57.833 56.287 -0.000 0.000 0.941 2706 K CB -0.019 32.481 32.500 -0.000 0.000 0.720 2706 K HN 0.584 nan 8.250 nan 0.000 0.449 2707 E N 0.570 120.769 120.200 -0.002 0.000 2.023 2707 E HA -0.203 4.147 4.350 0.000 0.000 0.196 2707 E C 2.135 178.733 176.600 -0.003 0.000 1.003 2707 E CA 1.182 57.581 56.400 -0.003 0.000 0.809 2707 E CB -0.458 29.240 29.700 -0.003 0.000 0.755 2707 E HN 0.324 nan 8.360 nan 0.000 0.449 2708 I N 0.727 121.297 120.570 -0.001 0.000 2.493 2708 I HA -0.212 3.958 4.170 0.000 0.000 0.254 2708 I C 2.087 178.205 176.117 0.000 0.000 1.160 2708 I CA 0.638 61.938 61.300 -0.000 0.000 1.445 2708 I CB -0.095 37.906 38.000 0.001 0.000 1.086 2708 I HN 0.014 nan 8.210 nan 0.000 0.433 2709 L N -0.154 121.069 121.223 0.000 0.000 2.093 2709 L HA -0.161 4.179 4.340 0.000 0.000 0.208 2709 L C 2.469 179.339 176.870 -0.001 0.000 1.085 2709 L CA 1.926 56.766 54.840 0.000 0.000 0.755 2709 L CB -1.360 40.699 42.059 0.000 0.000 0.904 2709 L HN 0.201 nan 8.230 nan 0.000 0.435 2710 T N -1.433 113.119 114.554 -0.002 0.000 2.867 2710 T HA -0.154 4.196 4.350 0.000 0.000 0.268 2710 T C 1.958 176.655 174.700 -0.005 0.000 1.057 2710 T CA 1.029 63.127 62.100 -0.004 0.000 1.136 2710 T CB 0.035 68.899 68.868 -0.006 0.000 0.874 2710 T HN 0.059 nan 8.240 nan 0.000 0.466 2711 K N 0.774 121.172 120.400 -0.004 0.000 2.103 2711 K HA 0.157 4.477 4.320 0.000 0.000 0.204 2711 K C 2.033 178.633 176.600 0.001 0.000 1.052 2711 K CA 0.533 56.818 56.287 -0.004 0.000 0.945 2711 K CB -0.335 32.163 32.500 -0.003 0.000 0.722 2711 K HN 0.201 nan 8.250 nan 0.000 0.443 2712 I N 0.741 121.313 120.570 0.003 0.000 2.142 2712 I HA -0.206 3.964 4.170 0.000 0.000 0.240 2712 I C 2.161 178.282 176.117 0.006 0.000 1.078 2712 I CA 1.502 62.806 61.300 0.006 0.000 1.343 2712 I CB -1.359 36.644 38.000 0.005 0.000 1.046 2712 I HN 0.082 nan 8.210 nan 0.000 0.405 2713 A N 0.637 123.459 122.820 0.003 0.000 1.908 2713 A HA -0.281 4.039 4.320 0.000 0.000 0.218 2713 A C 2.471 180.058 177.584 0.005 0.000 1.181 2713 A CA 2.202 54.241 52.037 0.003 0.000 0.627 2713 A CB -0.731 18.270 19.000 0.001 0.000 0.818 2713 A HN 0.480 nan 8.150 nan 0.000 0.445 2714 M N 0.308 119.909 119.600 0.002 0.000 2.086 2714 M HA -0.169 4.311 4.480 0.000 0.000 0.261 2714 M C 2.268 178.574 176.300 0.010 0.000 1.067 2714 M CA 2.554 57.853 55.300 -0.001 0.000 1.116 2714 M CB -0.504 32.088 32.600 -0.013 0.000 1.348 2714 M HN 0.600 nan 8.290 nan 0.000 0.407 2715 T N -2.456 112.107 114.554 0.015 0.000 2.867 2715 T HA -0.093 4.257 4.350 0.000 0.000 0.268 2715 T C 1.979 176.702 174.700 0.038 0.000 1.057 2715 T CA 1.590 63.711 62.100 0.033 0.000 1.136 2715 T CB -0.688 68.199 68.868 0.032 0.000 0.874 2715 T HN 0.486 nan 8.240 nan 0.000 0.466 2716 S N 1.164 116.879 115.700 0.025 0.000 2.355 2716 S HA -0.005 4.465 4.470 0.000 0.000 0.222 2716 S C 2.032 176.647 174.600 0.026 0.000 1.031 2716 S CA 0.936 59.150 58.200 0.022 0.000 0.993 2716 S CB -0.670 62.538 63.200 0.014 0.000 0.859 2716 S HN 0.585 nan 8.310 nan 0.000 0.453 2717 I N 1.715 122.299 120.570 0.024 0.000 2.264 2717 I HA -0.116 4.054 4.170 0.000 0.000 0.248 2717 I C 1.356 177.498 176.117 0.041 0.000 1.111 2717 I CA 1.018 62.334 61.300 0.026 0.000 1.382 2717 I CB -0.965 37.046 38.000 0.018 0.000 1.060 2717 I HN 0.452 nan 8.210 nan 0.000 0.418 2718 T N -0.765 113.825 114.554 0.059 0.000 2.900 2718 T HA 0.366 4.716 4.350 0.000 0.000 0.307 2718 T C 1.143 175.904 174.700 0.102 0.000 1.065 2718 T CA 0.056 62.219 62.100 0.106 0.000 1.105 2718 T CB 1.378 70.347 68.868 0.168 0.000 0.979 2718 T HN 0.599 nan 8.240 nan 0.000 0.544 2719 G N 1.400 110.271 108.800 0.117 0.000 2.176 2719 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 2719 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 2719 G C -0.039 174.883 174.900 0.036 0.000 0.979 2719 G CA 0.409 45.544 45.100 0.059 0.000 0.641 2719 G HN 0.935 nan 8.290 nan 0.000 0.530 2720 K N -0.908 119.518 120.400 0.044 0.000 2.352 2720 K HA 0.609 4.929 4.320 0.000 0.000 0.240 2720 K C 1.542 178.162 176.600 0.034 0.000 1.017 2720 K CA -0.539 55.767 56.287 0.030 0.000 0.851 2720 K CB 1.280 33.796 32.500 0.026 0.000 1.261 2720 K HN 0.169 nan 8.250 nan 0.000 0.451 2721 G N 0.391 109.207 108.800 0.027 0.000 2.448 2721 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 2721 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 2721 G C 1.265 176.182 174.900 0.028 0.000 1.127 2721 G CA 1.111 46.227 45.100 0.027 0.000 0.766 2721 G HN 0.613 nan 8.290 nan 0.000 0.552 2722 A N 1.532 124.368 122.820 0.026 0.000 2.121 2722 A HA 0.004 4.324 4.320 0.000 0.000 0.218 2722 A C 2.135 179.733 177.584 0.023 0.000 1.154 2722 A CA 1.670 53.721 52.037 0.023 0.000 0.679 2722 A CB -0.386 18.627 19.000 0.021 0.000 0.795 2722 A HN 0.656 nan 8.150 nan 0.000 0.458 2723 E N 0.527 120.745 120.200 0.031 0.000 2.401 2723 E HA -0.216 4.134 4.350 0.000 0.000 0.199 2723 E C 1.457 178.069 176.600 0.019 0.000 1.023 2723 E CA 1.228 57.646 56.400 0.031 0.000 0.859 2723 E CB -0.317 29.418 29.700 0.059 0.000 0.780 2723 E HN 0.612 nan 8.360 nan 0.000 0.523 2724 K N 0.493 120.905 120.400 0.021 0.000 2.147 2724 K HA -0.063 4.257 4.320 0.000 0.000 0.205 2724 K C 1.389 177.992 176.600 0.006 0.000 1.049 2724 K CA 1.291 57.586 56.287 0.014 0.000 0.936 2724 K CB 0.055 32.565 32.500 0.017 0.000 0.722 2724 K HN 0.229 nan 8.250 nan 0.000 0.446 2725 A N 1.269 124.093 122.820 0.006 0.000 2.631 2725 A HA 0.079 4.399 4.320 0.000 0.000 0.294 2725 A C 1.174 178.758 177.584 -0.000 0.000 1.156 2725 A CA -0.488 51.550 52.037 0.002 0.000 0.963 2725 A CB -0.097 18.906 19.000 0.006 0.000 1.202 2725 A HN 0.253 nan 8.150 nan 0.000 0.523 2726 K N 0.116 120.515 120.400 -0.002 0.000 2.286 2726 K HA -0.223 4.097 4.320 0.000 0.000 0.203 2726 K C 0.841 177.435 176.600 -0.009 0.000 1.045 2726 K CA 1.969 58.253 56.287 -0.004 0.000 0.935 2726 K CB -0.110 32.385 32.500 -0.009 0.000 0.737 2726 K HN 0.348 nan 8.250 nan 0.000 0.460 2727 E N 1.437 121.629 120.200 -0.013 0.000 2.046 2727 E HA -0.136 4.214 4.350 0.000 0.000 0.190 2727 E C 1.930 178.525 176.600 -0.007 0.000 0.982 2727 E CA 1.345 57.737 56.400 -0.013 0.000 0.800 2727 E CB -0.048 29.642 29.700 -0.016 0.000 0.756 2727 E HN 0.305 nan 8.360 nan 0.000 0.449 2728 K N 0.279 120.676 120.400 -0.004 0.000 2.057 2728 K HA -0.072 4.248 4.320 0.000 0.000 0.206 2728 K C 1.667 178.268 176.600 0.001 0.000 1.050 2728 K CA 0.794 57.081 56.287 -0.001 0.000 0.935 2728 K CB -0.229 32.272 32.500 0.002 0.000 0.715 2728 K HN -0.014 nan 8.250 nan 0.000 0.439 2729 L N 0.680 121.904 121.223 0.002 0.000 2.083 2729 L HA -0.002 4.338 4.340 0.000 0.000 0.209 2729 L C 2.301 179.172 176.870 0.002 0.000 1.083 2729 L CA 1.935 56.777 54.840 0.004 0.000 0.752 2729 L CB -1.150 40.912 42.059 0.006 0.000 0.899 2729 L HN 0.293 nan 8.230 nan 0.000 0.433 2730 A N -0.821 121.999 122.820 -0.000 0.000 1.902 2730 A HA -0.252 4.068 4.320 0.000 0.000 0.217 2730 A C 2.360 179.943 177.584 -0.002 0.000 1.181 2730 A CA 1.715 53.751 52.037 -0.002 0.000 0.623 2730 A CB -0.563 18.434 19.000 -0.005 0.000 0.818 2730 A HN 0.493 nan 8.150 nan 0.000 0.443 2731 E N -0.132 120.067 120.200 -0.002 0.000 2.077 2731 E HA -0.183 4.167 4.350 0.000 0.000 0.193 2731 E C 1.865 178.465 176.600 -0.000 0.000 0.989 2731 E CA 1.348 57.748 56.400 -0.001 0.000 0.800 2731 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 2731 E HN 0.666 nan 8.360 nan 0.000 0.452 2732 I N 0.951 121.522 120.570 0.001 0.000 2.226 2732 I HA -0.272 3.899 4.170 0.000 0.000 0.245 2732 I C 2.224 178.341 176.117 -0.000 0.000 1.100 2732 I CA 0.642 61.943 61.300 0.002 0.000 1.374 2732 I CB -0.173 37.830 38.000 0.005 0.000 1.057 2732 I HN 0.258 nan 8.210 nan 0.000 0.413 2733 I N 0.527 121.097 120.570 -0.001 0.000 2.353 2733 I HA -0.142 4.028 4.170 0.000 0.000 0.248 2733 I C 2.681 178.796 176.117 -0.004 0.000 1.119 2733 I CA 1.421 62.720 61.300 -0.003 0.000 1.417 2733 I CB -1.019 36.981 38.000 -0.001 0.000 1.078 2733 I HN 0.199 nan 8.210 nan 0.000 0.421 2734 V N -1.107 118.805 119.914 -0.003 0.000 2.809 2734 V HA -0.120 4.000 4.120 0.000 0.000 0.256 2734 V C 2.179 178.271 176.094 -0.004 0.000 1.080 2734 V CA 1.583 63.881 62.300 -0.003 0.000 1.102 2734 V CB -0.821 31.001 31.823 -0.002 0.000 0.705 2734 V HN 0.434 nan 8.190 nan 0.000 0.475 2735 E N 1.077 121.275 120.200 -0.004 0.000 2.076 2735 E HA -0.038 4.312 4.350 0.000 0.000 0.190 2735 E C 2.206 178.799 176.600 -0.011 0.000 0.979 2735 E CA 1.118 57.515 56.400 -0.005 0.000 0.807 2735 E CB -0.240 29.458 29.700 -0.003 0.000 0.761 2735 E HN 0.642 nan 8.360 nan 0.000 0.454 2736 A N 0.741 123.554 122.820 -0.012 0.000 1.858 2736 A HA -0.139 4.181 4.320 0.000 0.000 0.216 2736 A C 2.387 179.958 177.584 -0.022 0.000 1.190 2736 A CA 1.606 53.632 52.037 -0.018 0.000 0.617 2736 A CB -0.781 18.211 19.000 -0.015 0.000 0.827 2736 A HN 0.226 nan 8.150 nan 0.000 0.443 2737 V N -0.278 119.627 119.914 -0.015 0.000 2.515 2737 V HA -0.169 3.951 4.120 0.000 0.000 0.250 2737 V C 2.763 178.849 176.094 -0.013 0.000 1.058 2737 V CA 2.155 64.447 62.300 -0.014 0.000 1.064 2737 V CB -0.592 31.226 31.823 -0.009 0.000 0.675 2737 V HN 0.671 nan 8.190 nan 0.000 0.461 2738 S N -0.012 115.681 115.700 -0.011 0.000 2.383 2738 S HA -0.119 4.351 4.470 0.000 0.000 0.227 2738 S C 2.108 176.699 174.600 -0.015 0.000 1.026 2738 S CA 1.457 59.653 58.200 -0.008 0.000 0.981 2738 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 2738 S HN 0.597 nan 8.310 nan 0.000 0.472 2739 A N 1.068 123.870 122.820 -0.031 0.000 1.873 2739 A HA 0.025 4.345 4.320 0.000 0.000 0.215 2739 A C 2.375 179.904 177.584 -0.091 0.000 1.186 2739 A CA 1.760 53.759 52.037 -0.063 0.000 0.616 2739 A CB -0.985 17.974 19.000 -0.068 0.000 0.823 2739 A HN 0.942 nan 8.150 nan 0.000 0.442 2740 V N -3.062 116.813 119.914 -0.065 0.000 2.788 2740 V HA -0.008 4.112 4.120 0.000 0.000 0.251 2740 V C 2.094 178.167 176.094 -0.035 0.000 1.068 2740 V CA 1.486 63.748 62.300 -0.063 0.000 1.090 2740 V CB -0.549 31.245 31.823 -0.048 0.000 0.710 2740 V HN 0.205 nan 8.190 nan 0.000 0.467 2741 V N 0.497 120.400 119.914 -0.019 0.000 2.515 2741 V HA -0.093 4.027 4.120 0.000 0.000 0.250 2741 V C 1.610 177.713 176.094 0.015 0.000 1.058 2741 V CA 2.402 64.701 62.300 -0.002 0.000 1.064 2741 V CB -0.533 31.290 31.823 0.001 0.000 0.675 2741 V HN 0.869 nan 8.190 nan 0.000 0.461 2742 D N -0.758 119.656 120.400 0.024 0.000 4.344 2742 D HA -0.223 4.417 4.640 0.000 0.000 0.144 2742 D C 0.552 176.886 176.300 0.056 0.000 0.730 2742 D CA 1.934 55.978 54.000 0.073 0.000 1.156 2742 D CB -1.242 39.623 40.800 0.109 0.000 0.570 2742 D HN 0.565 nan 8.370 nan 0.000 0.533 2743 D N 1.634 122.062 120.400 0.047 0.000 2.398 2743 D HA 0.236 4.876 4.640 0.000 0.000 0.247 2743 D C -0.238 176.074 176.300 0.020 0.000 1.227 2743 D CA 0.168 54.186 54.000 0.030 0.000 0.980 2743 D CB 0.611 41.425 40.800 0.024 0.000 1.106 2743 D HN 0.261 nan 8.370 nan 0.000 0.493 2744 E N 0.027 120.236 120.200 0.015 0.000 2.079 2744 E HA 0.518 4.868 4.350 0.000 0.000 0.252 2744 E C -0.704 175.902 176.600 0.009 0.000 0.992 2744 E CA -0.509 55.897 56.400 0.011 0.000 0.829 2744 E CB -0.343 29.363 29.700 0.009 0.000 1.158 2744 E HN 0.515 nan 8.360 nan 0.000 0.435 2745 G N 2.746 111.551 108.800 0.008 0.000 2.358 2745 G HA2 0.173 4.133 3.960 0.000 0.000 0.303 2745 G HA3 0.173 4.133 3.960 0.000 0.000 0.303 2745 G C -1.867 173.037 174.900 0.007 0.000 1.537 2745 G CA -0.844 44.262 45.100 0.009 0.000 0.928 2745 G HN 0.194 nan 8.290 nan 0.000 0.656 2746 K N 0.435 120.839 120.400 0.006 0.000 2.561 2746 K HA 0.578 4.898 4.320 0.000 0.000 0.254 2746 K C -1.424 175.177 176.600 0.002 0.000 0.942 2746 K CA -0.538 55.751 56.287 0.004 0.000 0.818 2746 K CB 2.307 34.810 32.500 0.004 0.000 1.306 2746 K HN 0.600 nan 8.250 nan 0.000 0.435 2747 V N 2.929 122.843 119.914 -0.000 0.000 2.459 2747 V HA 0.346 4.466 4.120 0.000 0.000 0.295 2747 V C -0.539 175.553 176.094 -0.005 0.000 1.029 2747 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 2747 V CB 1.677 33.498 31.823 -0.004 0.000 0.985 2747 V HN 0.673 nan 8.190 nan 0.000 0.438 2748 D N 3.310 123.706 120.400 -0.008 0.000 2.471 2748 D HA 0.240 4.880 4.640 0.000 0.000 0.245 2748 D C 0.778 177.070 176.300 -0.013 0.000 1.116 2748 D CA -0.553 53.441 54.000 -0.009 0.000 0.853 2748 D CB 1.814 42.608 40.800 -0.009 0.000 1.123 2748 D HN 0.523 nan 8.370 nan 0.000 0.540 2749 K N 2.732 123.126 120.400 -0.012 0.000 2.218 2749 K HA -0.237 4.084 4.320 0.000 0.000 0.205 2749 K C 0.921 177.510 176.600 -0.018 0.000 1.046 2749 K CA 1.401 57.679 56.287 -0.014 0.000 0.933 2749 K CB 0.162 32.656 32.500 -0.011 0.000 0.728 2749 K HN 0.349 nan 8.250 nan 0.000 0.454 2750 D N 0.260 120.649 120.400 -0.018 0.000 2.309 2750 D HA -0.126 4.514 4.640 0.000 0.000 0.212 2750 D C 1.483 177.766 176.300 -0.029 0.000 0.968 2750 D CA 0.777 54.764 54.000 -0.023 0.000 0.882 2750 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 2750 D HN 0.282 nan 8.370 nan 0.000 0.503 2751 L N -0.355 120.851 121.223 -0.028 0.000 2.492 2751 L HA 0.172 4.512 4.340 0.000 0.000 0.223 2751 L C 0.410 177.256 176.870 -0.039 0.000 1.132 2751 L CA 0.204 55.023 54.840 -0.035 0.000 0.850 2751 L CB 0.153 42.192 42.059 -0.032 0.000 0.966 2751 L HN 0.015 nan 8.230 nan 0.000 0.454 2752 I N 0.630 121.179 120.570 -0.034 0.000 2.420 2752 I HA 0.180 4.350 4.170 0.000 0.000 0.282 2752 I C 0.022 176.118 176.117 -0.035 0.000 1.019 2752 I CA -0.394 60.886 61.300 -0.034 0.000 1.130 2752 I CB 1.629 39.613 38.000 -0.026 0.000 1.262 2752 I HN -0.040 nan 8.210 nan 0.000 0.454 2753 K N 6.764 127.138 120.400 -0.044 0.000 2.249 2753 K HA 0.405 4.725 4.320 0.000 0.000 0.280 2753 K C -0.634 175.942 176.600 -0.041 0.000 1.033 2753 K CA -0.479 55.780 56.287 -0.047 0.000 0.946 2753 K CB 0.904 33.365 32.500 -0.065 0.000 1.005 2753 K HN 0.459 nan 8.250 nan 0.000 0.469 2754 I N 4.257 124.806 120.570 -0.035 0.000 2.347 2754 I HA 0.184 4.354 4.170 0.000 0.000 0.283 2754 I C -0.216 175.882 176.117 -0.032 0.000 1.058 2754 I CA -0.550 60.734 61.300 -0.027 0.000 1.202 2754 I CB 0.424 38.413 38.000 -0.018 0.000 1.386 2754 I HN 0.668 nan 8.210 nan 0.000 0.475 2755 E N 6.777 126.954 120.200 -0.037 0.000 2.204 2755 E HA 0.590 4.940 4.350 0.000 0.000 0.276 2755 E C -0.784 175.801 176.600 -0.025 0.000 0.974 2755 E CA -0.633 55.741 56.400 -0.043 0.000 0.815 2755 E CB 1.397 31.053 29.700 -0.073 0.000 1.119 2755 E HN 0.544 nan 8.360 nan 0.000 0.393 2756 K N 1.922 122.309 120.400 -0.022 0.000 2.468 2756 K HA 0.697 5.018 4.320 0.000 0.000 0.252 2756 K C -1.251 175.344 176.600 -0.008 0.000 0.932 2756 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 2756 K CB 1.843 34.337 32.500 -0.009 0.000 1.241 2756 K HN 0.189 nan 8.250 nan 0.000 0.428 2757 K N 1.599 122.001 120.400 0.004 0.000 2.588 2757 K HA 0.191 4.511 4.320 0.000 0.000 0.250 2757 K C -1.000 175.607 176.600 0.012 0.000 0.972 2757 K CA -0.341 55.951 56.287 0.009 0.000 0.821 2757 K CB 1.910 34.426 32.500 0.025 0.000 1.249 2757 K HN 0.852 nan 8.250 nan 0.000 0.442 2758 S N 2.003 117.704 115.700 0.001 0.000 2.576 2758 S HA 0.684 5.154 4.470 0.000 0.000 0.272 2758 S C 0.531 175.138 174.600 0.011 0.000 1.352 2758 S CA 0.502 58.703 58.200 0.001 0.000 1.021 2758 S CB 0.512 63.705 63.200 -0.011 0.000 0.887 2758 S HN 1.385 nan 8.310 nan 0.000 0.542 2759 G N -0.060 108.746 108.800 0.011 0.000 2.484 2759 G HA2 0.483 4.444 3.960 0.000 0.000 0.685 2759 G HA3 0.483 4.444 3.960 0.000 0.000 0.685 2759 G C -0.061 174.848 174.900 0.015 0.000 1.294 2759 G CA -0.008 45.100 45.100 0.013 0.000 0.879 2759 G HN 2.455 nan 8.290 nan 0.000 0.646 2760 A N -0.710 122.117 122.820 0.013 0.000 5.953 2760 A HA 0.384 4.704 4.320 0.000 0.000 0.267 2760 A C 1.162 178.754 177.584 0.012 0.000 2.116 2760 A CA 1.980 54.025 52.037 0.012 0.000 0.711 2760 A CB -1.624 17.385 19.000 0.015 0.000 1.100 2760 A HN 2.726 nan 8.150 nan 0.000 0.364 2761 S N -2.590 113.117 115.700 0.013 0.000 2.810 2761 S HA 0.750 5.220 4.470 0.000 0.000 0.315 2761 S C 1.302 175.911 174.600 0.014 0.000 1.138 2761 S CA 0.011 58.218 58.200 0.013 0.000 0.889 2761 S CB 0.921 64.128 63.200 0.011 0.000 1.236 2761 S HN 0.967 nan 8.310 nan 0.000 0.548 2762 I N 1.195 121.773 120.570 0.015 0.000 2.315 2762 I HA -0.092 4.079 4.170 0.000 0.000 0.248 2762 I C 1.931 178.055 176.117 0.013 0.000 1.117 2762 I CA 1.391 62.700 61.300 0.015 0.000 1.404 2762 I CB -0.301 37.708 38.000 0.015 0.000 1.071 2762 I HN 0.694 nan 8.210 nan 0.000 0.419 2763 D N 1.016 121.422 120.400 0.011 0.000 2.221 2763 D HA -0.210 4.430 4.640 0.000 0.000 0.204 2763 D C 1.592 177.898 176.300 0.010 0.000 0.982 2763 D CA 1.140 55.145 54.000 0.008 0.000 0.857 2763 D CB -0.016 40.788 40.800 0.006 0.000 0.934 2763 D HN 0.248 nan 8.370 nan 0.000 0.475 2764 D N -0.435 119.972 120.400 0.012 0.000 2.347 2764 D HA -0.037 4.603 4.640 0.000 0.000 0.215 2764 D C 0.238 176.551 176.300 0.022 0.000 0.976 2764 D CA 0.390 54.399 54.000 0.014 0.000 0.884 2764 D CB -0.187 40.621 40.800 0.014 0.000 0.915 2764 D HN 0.162 nan 8.370 nan 0.000 0.526 2765 T N 1.513 116.080 114.554 0.022 0.000 2.933 2765 T HA 0.085 4.435 4.350 0.000 0.000 0.306 2765 T C 0.303 175.019 174.700 0.027 0.000 1.045 2765 T CA 0.688 62.804 62.100 0.026 0.000 1.143 2765 T CB 0.967 69.846 68.868 0.019 0.000 1.003 2765 T HN 0.033 nan 8.240 nan 0.000 0.540 2766 E N 1.625 121.847 120.200 0.037 0.000 2.372 2766 E HA 0.527 4.877 4.350 0.000 0.000 0.279 2766 E C -1.890 174.737 176.600 0.045 0.000 0.946 2766 E CA -0.830 55.593 56.400 0.039 0.000 0.769 2766 E CB 1.087 30.815 29.700 0.046 0.000 1.230 2766 E HN 0.367 nan 8.360 nan 0.000 0.442 2767 L N 3.899 125.143 121.223 0.035 0.000 2.289 2767 L HA 0.622 4.962 4.340 0.000 0.000 0.285 2767 L C -1.247 175.649 176.870 0.043 0.000 1.049 2767 L CA -0.247 54.610 54.840 0.028 0.000 0.804 2767 L CB 0.841 42.908 42.059 0.012 0.000 1.195 2767 L HN 0.596 nan 8.230 nan 0.000 0.428 2768 I N 4.751 125.348 120.570 0.045 0.000 2.354 2768 I HA 0.300 4.470 4.170 0.000 0.000 0.286 2768 I C -0.107 176.026 176.117 0.026 0.000 1.007 2768 I CA -0.443 60.896 61.300 0.065 0.000 1.167 2768 I CB 1.197 39.266 38.000 0.114 0.000 1.320 2768 I HN 0.425 nan 8.210 nan 0.000 0.458 2769 K N 5.266 125.680 120.400 0.023 0.000 2.199 2769 K HA 0.551 4.871 4.320 0.000 0.000 0.226 2769 K C 0.513 177.112 176.600 -0.001 0.000 1.237 2769 K CA -0.078 56.209 56.287 -0.001 0.000 1.170 2769 K CB -0.286 32.213 32.500 -0.003 0.000 1.418 2769 K HN 0.869 nan 8.250 nan 0.000 0.255 2770 G N -1.375 107.418 108.800 -0.012 0.000 2.512 2770 G HA2 0.167 4.127 3.960 0.000 0.000 0.181 2770 G HA3 0.167 4.127 3.960 0.000 0.000 0.181 2770 G C -1.624 173.248 174.900 -0.048 0.000 1.173 2770 G CA -0.739 44.348 45.100 -0.021 0.000 0.988 2770 G HN 0.043 nan 8.290 nan 0.000 0.485 2771 V N 0.833 120.709 119.914 -0.064 0.000 2.531 2771 V HA 0.693 4.814 4.120 0.000 0.000 0.301 2771 V C -0.903 175.102 176.094 -0.148 0.000 1.034 2771 V CA -0.592 61.637 62.300 -0.119 0.000 0.865 2771 V CB 1.450 33.171 31.823 -0.171 0.000 0.995 2771 V HN 0.889 nan 8.190 nan 0.000 0.424 2772 L N 7.607 128.706 121.223 -0.207 0.000 2.305 2772 L HA 0.842 5.182 4.340 0.000 0.000 0.284 2772 L C -0.384 176.328 176.870 -0.263 0.000 1.013 2772 L CA -0.177 54.451 54.840 -0.354 0.000 0.819 2772 L CB 1.648 43.390 42.059 -0.528 0.000 1.227 2772 L HN 0.582 nan 8.230 nan 0.000 0.417 2773 V N 1.585 121.366 119.914 -0.222 0.000 2.769 2773 V HA 0.633 4.753 4.120 0.000 0.000 0.312 2773 V C -0.369 175.668 176.094 -0.096 0.000 1.061 2773 V CA -0.523 61.701 62.300 -0.127 0.000 0.931 2773 V CB 1.820 33.602 31.823 -0.068 0.000 1.010 2773 V HN 0.812 nan 8.190 nan 0.000 0.433 2774 D N 1.001 121.365 120.400 -0.060 0.000 3.134 2774 D HA 0.326 4.966 4.640 0.000 0.000 0.248 2774 D C -0.115 176.188 176.300 0.006 0.000 1.273 2774 D CA -0.218 53.763 54.000 -0.032 0.000 0.904 2774 D CB 0.215 40.997 40.800 -0.030 0.000 1.089 2774 D HN 0.547 nan 8.370 nan 0.000 0.478 2775 K N 0.237 120.654 120.400 0.029 0.000 2.352 2775 K HA 0.558 4.878 4.320 0.000 0.000 0.240 2775 K C 0.002 176.635 176.600 0.055 0.000 1.017 2775 K CA -0.865 55.455 56.287 0.055 0.000 0.851 2775 K CB 1.942 34.503 32.500 0.102 0.000 1.261 2775 K HN 0.294 nan 8.250 nan 0.000 0.451 2776 E N -0.156 120.070 120.200 0.042 0.000 2.416 2776 E HA 0.455 4.805 4.350 0.000 0.000 0.273 2776 E C -0.965 175.638 176.600 0.005 0.000 0.935 2776 E CA -1.092 55.326 56.400 0.029 0.000 0.784 2776 E CB 1.448 31.162 29.700 0.024 0.000 1.301 2776 E HN 0.281 nan 8.360 nan 0.000 0.454 2777 R N 0.921 121.418 120.500 -0.006 0.000 2.401 2777 R HA 0.075 4.415 4.340 0.000 0.000 0.299 2777 R C 1.338 177.625 176.300 -0.023 0.000 1.064 2777 R CA 0.251 56.332 56.100 -0.032 0.000 1.000 2777 R CB 0.878 31.160 30.300 -0.031 0.000 0.973 2777 R HN 0.577 nan 8.270 nan 0.000 0.438 2778 V N -0.139 119.756 119.914 -0.030 0.000 2.867 2778 V HA -0.115 4.005 4.120 0.000 0.000 0.260 2778 V C 0.772 176.859 176.094 -0.012 0.000 1.099 2778 V CA 1.227 63.516 62.300 -0.017 0.000 1.122 2778 V CB -0.154 31.659 31.823 -0.018 0.000 0.708 2778 V HN 0.561 nan 8.190 nan 0.000 0.490 2779 S N -1.013 114.676 115.700 -0.018 0.000 2.521 2779 S HA 0.774 5.244 4.470 0.000 0.000 0.295 2779 S C 0.873 175.465 174.600 -0.014 0.000 1.098 2779 S CA -0.127 58.065 58.200 -0.013 0.000 0.999 2779 S CB 1.859 65.048 63.200 -0.017 0.000 1.034 2779 S HN 0.724 nan 8.310 nan 0.000 0.483 2780 A N 3.019 125.835 122.820 -0.007 0.000 2.070 2780 A HA -0.076 4.244 4.320 0.000 0.000 0.220 2780 A C 1.873 179.451 177.584 -0.011 0.000 1.159 2780 A CA 1.884 53.917 52.037 -0.006 0.000 0.656 2780 A CB -0.674 18.325 19.000 -0.001 0.000 0.800 2780 A HN 0.809 nan 8.150 nan 0.000 0.453 2781 Q N -0.529 119.261 119.800 -0.017 0.000 2.378 2781 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 2781 Q C 0.711 176.689 176.000 -0.037 0.000 0.954 2781 Q CA 0.414 56.200 55.803 -0.028 0.000 0.901 2781 Q CB -0.457 28.254 28.738 -0.045 0.000 0.981 2781 Q HN 0.679 nan 8.270 nan 0.000 0.483 2782 M N 2.251 121.829 119.600 -0.037 0.000 2.245 2782 M HA 0.194 4.674 4.480 0.000 0.000 0.344 2782 M C -1.920 174.363 176.300 -0.029 0.000 1.170 2782 M CA -1.738 53.538 55.300 -0.040 0.000 1.135 2782 M CB 0.389 32.962 32.600 -0.044 0.000 1.574 2782 M HN -0.054 nan 8.290 nan 0.000 0.452 2783 P HA -0.022 nan 4.420 nan 0.000 0.265 2783 P C -0.237 177.055 177.300 -0.013 0.000 1.187 2783 P CA 0.248 63.337 63.100 -0.018 0.000 0.766 2783 P CB 0.466 32.156 31.700 -0.017 0.000 0.820 2784 K N 2.260 122.657 120.400 -0.006 0.000 2.426 2784 K HA 0.008 4.328 4.320 0.000 0.000 0.193 2784 K C 0.149 176.755 176.600 0.010 0.000 1.028 2784 K CA 0.478 56.766 56.287 0.002 0.000 1.047 2784 K CB 0.094 32.594 32.500 0.002 0.000 0.821 2784 K HN 0.449 nan 8.250 nan 0.000 0.513 2785 K N -0.720 119.683 120.400 0.006 0.000 2.561 2785 K HA 0.263 4.584 4.320 0.000 0.000 0.254 2785 K C -1.541 175.064 176.600 0.009 0.000 0.942 2785 K CA -0.942 55.352 56.287 0.012 0.000 0.818 2785 K CB 2.047 34.551 32.500 0.007 0.000 1.306 2785 K HN -0.218 nan 8.250 nan 0.000 0.435 2786 V N 2.206 122.129 119.914 0.017 0.000 2.531 2786 V HA 0.437 4.557 4.120 0.000 0.000 0.301 2786 V C -0.159 175.948 176.094 0.023 0.000 1.034 2786 V CA -0.528 61.781 62.300 0.014 0.000 0.865 2786 V CB 1.815 33.643 31.823 0.009 0.000 0.995 2786 V HN 0.997 nan 8.190 nan 0.000 0.424 2787 T N 0.016 114.581 114.554 0.017 0.000 2.929 2787 T HA 0.534 4.884 4.350 0.000 0.000 0.284 2787 T C 0.179 174.891 174.700 0.021 0.000 1.014 2787 T CA -0.217 61.895 62.100 0.020 0.000 1.051 2787 T CB 1.277 70.153 68.868 0.014 0.000 1.028 2787 T HN 0.777 nan 8.240 nan 0.000 0.485 2788 D N 0.148 120.563 120.400 0.024 0.000 2.689 2788 D HA -0.156 4.484 4.640 0.000 0.000 0.237 2788 D C 0.303 176.620 176.300 0.028 0.000 1.148 2788 D CA 0.824 54.839 54.000 0.024 0.000 0.656 2788 D CB -1.279 39.532 40.800 0.018 0.000 1.050 2788 D HN 1.100 nan 8.370 nan 0.000 0.426 2789 A N 1.347 124.189 122.820 0.036 0.000 2.511 2789 A HA 0.354 4.674 4.320 0.000 0.000 0.242 2789 A C 0.510 178.121 177.584 0.046 0.000 1.069 2789 A CA 0.200 52.262 52.037 0.042 0.000 0.763 2789 A CB 0.545 19.581 19.000 0.060 0.000 1.001 2789 A HN 0.158 nan 8.150 nan 0.000 0.498 2790 K N 3.026 123.450 120.400 0.040 0.000 2.404 2790 K HA 0.383 4.703 4.320 0.000 0.000 0.257 2790 K C -1.214 175.419 176.600 0.055 0.000 1.026 2790 K CA -0.247 56.065 56.287 0.041 0.000 0.951 2790 K CB 0.936 33.452 32.500 0.027 0.000 1.203 2790 K HN 0.524 nan 8.250 nan 0.000 0.446 2791 I N 2.142 122.761 120.570 0.082 0.000 2.371 2791 I HA 0.201 4.371 4.170 0.000 0.000 0.290 2791 I C 0.370 176.555 176.117 0.113 0.000 1.028 2791 I CA -0.146 61.234 61.300 0.133 0.000 1.345 2791 I CB 1.362 39.477 38.000 0.193 0.000 1.407 2791 I HN 0.517 nan 8.210 nan 0.000 0.501 2792 A N 7.500 130.390 122.820 0.117 0.000 2.337 2792 A HA 0.856 5.176 4.320 0.000 0.000 0.329 2792 A C -0.793 176.876 177.584 0.142 0.000 1.146 2792 A CA -0.569 51.524 52.037 0.094 0.000 0.800 2792 A CB 0.707 19.739 19.000 0.054 0.000 1.220 2792 A HN 0.653 nan 8.150 nan 0.000 0.472 2793 L N 3.407 124.693 121.223 0.105 0.000 2.318 2793 L HA 0.420 4.760 4.340 0.000 0.000 0.277 2793 L C -0.919 175.993 176.870 0.070 0.000 1.008 2793 L CA -0.081 54.822 54.840 0.105 0.000 0.846 2793 L CB 0.959 43.059 42.059 0.068 0.000 1.220 2793 L HN 0.571 nan 8.230 nan 0.000 0.423 2794 L N 2.757 124.025 121.223 0.075 0.000 2.325 2794 L HA 0.432 4.772 4.340 0.000 0.000 0.278 2794 L C 0.785 177.685 176.870 0.049 0.000 1.023 2794 L CA -0.340 54.531 54.840 0.052 0.000 0.811 2794 L CB 1.901 43.988 42.059 0.046 0.000 1.249 2794 L HN 0.518 nan 8.230 nan 0.000 0.431 2795 N N 0.824 119.545 118.700 0.036 0.000 2.454 2795 N HA -0.016 4.724 4.740 0.000 0.000 0.177 2795 N C 0.501 176.027 175.510 0.027 0.000 1.049 2795 N CA -0.025 53.043 53.050 0.030 0.000 0.887 2795 N CB 0.331 38.831 38.487 0.022 0.000 1.095 2795 N HN 0.743 nan 8.380 nan 0.000 0.446 2796 C N 1.348 120.663 119.300 0.025 0.000 2.656 2796 C HA 0.779 5.239 4.460 0.000 0.000 0.391 2796 C C 0.984 175.989 174.990 0.025 0.000 1.300 2796 C CA -1.340 57.692 59.018 0.023 0.000 2.302 2796 C CB -0.448 27.305 27.740 0.021 0.000 2.655 2796 C HN 0.426 nan 8.230 nan 0.000 0.656 2797 A N 2.774 125.608 122.820 0.023 0.000 2.388 2797 A HA 0.580 4.900 4.320 0.000 0.000 0.257 2797 A C 0.182 177.782 177.584 0.026 0.000 1.095 2797 A CA -0.598 51.453 52.037 0.024 0.000 0.791 2797 A CB -0.059 18.954 19.000 0.022 0.000 1.029 2797 A HN 0.901 nan 8.150 nan 0.000 0.489 2798 I N 2.758 123.344 120.570 0.027 0.000 2.206 2798 I HA 0.182 4.352 4.170 0.000 0.000 0.292 2798 I C 0.441 176.579 176.117 0.035 0.000 1.156 2798 I CA 0.246 61.565 61.300 0.031 0.000 1.356 2798 I CB -0.693 37.326 38.000 0.032 0.000 1.494 2798 I HN 0.871 nan 8.210 nan 0.000 0.601 2799 E N 3.927 124.146 120.200 0.033 0.000 2.456 2799 E HA 0.469 4.819 4.350 0.000 0.000 0.276 2799 E C -0.753 175.868 176.600 0.034 0.000 0.981 2799 E CA -1.179 55.242 56.400 0.034 0.000 0.814 2799 E CB 1.513 31.230 29.700 0.028 0.000 1.382 2799 E HN 0.020 nan 8.360 nan 0.000 0.459 2800 I N 2.248 122.840 120.570 0.036 0.000 2.705 2800 I HA -0.028 4.142 4.170 0.000 0.000 0.291 2800 I C 0.653 176.788 176.117 0.031 0.000 1.146 2800 I CA 0.460 61.782 61.300 0.037 0.000 1.383 2800 I CB -0.374 37.651 38.000 0.042 0.000 1.454 2800 I HN 0.328 nan 8.210 nan 0.000 0.581 2801 K N 5.196 125.613 120.400 0.028 0.000 2.511 2801 K HA -0.058 4.262 4.320 0.000 0.000 0.280 2801 K C 0.038 176.652 176.600 0.024 0.000 1.008 2801 K CA 0.218 56.520 56.287 0.024 0.000 1.050 2801 K CB 0.390 32.903 32.500 0.022 0.000 0.889 2801 K HN 0.466 nan 8.250 nan 0.000 0.484 2802 E N 2.241 122.453 120.200 0.020 0.000 2.179 2802 E HA 0.151 4.501 4.350 0.000 0.000 0.275 2802 E C -0.836 175.774 176.600 0.015 0.000 0.945 2802 E CA -0.553 55.858 56.400 0.018 0.000 0.792 2802 E CB 0.987 30.695 29.700 0.014 0.000 1.125 2802 E HN 0.578 nan 8.360 nan 0.000 0.397 2803 T N 1.934 116.498 114.554 0.015 0.000 2.903 2803 T HA 0.095 4.445 4.350 0.000 0.000 0.314 2803 T C 0.886 175.592 174.700 0.010 0.000 1.078 2803 T CA -0.491 61.617 62.100 0.014 0.000 1.114 2803 T CB 0.753 69.630 68.868 0.015 0.000 0.987 2803 T HN 0.448 nan 8.240 nan 0.000 0.548 2804 E N 0.726 120.932 120.200 0.010 0.000 2.046 2804 E HA -0.027 4.324 4.350 0.000 0.000 0.190 2804 E C 1.302 177.906 176.600 0.006 0.000 0.982 2804 E CA 0.902 57.307 56.400 0.008 0.000 0.800 2804 E CB -0.580 29.124 29.700 0.008 0.000 0.756 2804 E HN 0.795 nan 8.360 nan 0.000 0.449 2805 T N 1.852 116.410 114.554 0.006 0.000 2.930 2805 T HA -0.005 4.345 4.350 0.000 0.000 0.306 2805 T C -0.327 174.375 174.700 0.004 0.000 1.045 2805 T CA -0.610 61.493 62.100 0.005 0.000 1.134 2805 T CB 0.356 69.227 68.868 0.006 0.000 0.961 2805 T HN -0.178 nan 8.240 nan 0.000 0.545 2806 D N 2.734 123.136 120.400 0.002 0.000 2.450 2806 D HA 0.471 5.111 4.640 0.000 0.000 0.247 2806 D C -0.247 176.052 176.300 -0.002 0.000 1.162 2806 D CA 0.515 54.515 54.000 -0.001 0.000 0.879 2806 D CB 0.705 41.503 40.800 -0.002 0.000 1.163 2806 D HN 0.743 nan 8.370 nan 0.000 0.472 2807 A N 2.802 125.620 122.820 -0.004 0.000 2.547 2807 A HA 0.601 4.921 4.320 0.000 0.000 0.297 2807 A C -0.785 176.789 177.584 -0.017 0.000 1.056 2807 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 2807 A CB 1.657 20.658 19.000 0.002 0.000 1.282 2807 A HN 0.459 nan 8.150 nan 0.000 0.400 2808 E N 0.857 121.039 120.200 -0.029 0.000 2.356 2808 E HA 0.503 4.853 4.350 0.000 0.000 0.275 2808 E C -1.465 175.085 176.600 -0.083 0.000 0.904 2808 E CA -0.836 55.532 56.400 -0.053 0.000 0.757 2808 E CB 2.299 31.970 29.700 -0.049 0.000 1.232 2808 E HN 0.494 nan 8.360 nan 0.000 0.442 2809 I N 2.053 122.535 120.570 -0.147 0.000 2.472 2809 I HA 0.183 4.353 4.170 0.000 0.000 0.290 2809 I C -0.011 175.959 176.117 -0.246 0.000 1.016 2809 I CA -0.253 60.884 61.300 -0.271 0.000 1.348 2809 I CB 0.483 38.152 38.000 -0.552 0.000 1.417 2809 I HN 0.195 nan 8.210 nan 0.000 0.521 2810 R N 6.974 127.345 120.500 -0.216 0.000 2.363 2810 R HA 0.478 4.818 4.340 0.000 0.000 0.297 2810 R C -0.927 175.299 176.300 -0.123 0.000 1.208 2810 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 2810 R CB 0.681 30.940 30.300 -0.068 0.000 1.124 2810 R HN 0.547 nan 8.270 nan 0.000 0.561 2811 I N 0.969 121.451 120.570 -0.147 0.000 2.395 2811 I HA 0.113 4.283 4.170 0.000 0.000 0.289 2811 I C 1.318 177.430 176.117 -0.009 0.000 1.023 2811 I CA 0.261 61.524 61.300 -0.062 0.000 1.350 2811 I CB 1.551 39.512 38.000 -0.066 0.000 1.409 2811 I HN 0.357 nan 8.210 nan 0.000 0.507 2812 T N 3.109 117.681 114.554 0.030 0.000 3.262 2812 T HA 0.113 4.463 4.350 0.000 0.000 0.300 2812 T C -0.502 174.218 174.700 0.035 0.000 0.959 2812 T CA -0.154 61.961 62.100 0.024 0.000 0.936 2812 T CB -0.212 68.668 68.868 0.019 0.000 1.169 2812 T HN 0.619 nan 8.240 nan 0.000 0.532 2813 D N 0.639 121.071 120.400 0.052 0.000 2.896 2813 D HA 0.355 4.995 4.640 0.000 0.000 0.241 2813 D C -2.187 174.145 176.300 0.052 0.000 1.188 2813 D CA -1.810 52.218 54.000 0.048 0.000 0.879 2813 D CB 2.850 43.681 40.800 0.051 0.000 1.553 2813 D HN -0.154 nan 8.370 nan 0.000 0.515 2814 P HA -0.135 nan 4.420 nan 0.000 0.217 2814 P C 0.963 178.286 177.300 0.039 0.000 1.148 2814 P CA 1.353 64.474 63.100 0.034 0.000 0.834 2814 P CB 0.335 32.049 31.700 0.023 0.000 0.783 2815 A N -0.303 122.539 122.820 0.036 0.000 1.898 2815 A HA -0.193 4.127 4.320 0.000 0.000 0.216 2815 A C 2.083 179.694 177.584 0.044 0.000 1.181 2815 A CA 1.580 53.635 52.037 0.030 0.000 0.620 2815 A CB -0.881 18.130 19.000 0.017 0.000 0.819 2815 A HN 0.151 nan 8.150 nan 0.000 0.442 2816 K N -0.812 119.637 120.400 0.081 0.000 2.148 2816 K HA -0.046 4.274 4.320 0.000 0.000 0.204 2816 K C 1.820 178.574 176.600 0.256 0.000 1.050 2816 K CA 1.040 57.426 56.287 0.166 0.000 0.942 2816 K CB -0.307 32.344 32.500 0.252 0.000 0.724 2816 K HN 0.376 nan 8.250 nan 0.000 0.446 2817 L N 1.000 122.318 121.223 0.159 0.000 2.042 2817 L HA -0.199 4.141 4.340 0.000 0.000 0.210 2817 L C 1.995 178.938 176.870 0.122 0.000 1.076 2817 L CA 1.772 56.689 54.840 0.129 0.000 0.749 2817 L CB -0.223 41.877 42.059 0.069 0.000 0.893 2817 L HN 0.178 nan 8.230 nan 0.000 0.432 2818 M N -1.270 118.381 119.600 0.084 0.000 2.193 2818 M HA -0.067 4.414 4.480 0.000 0.000 0.265 2818 M C 2.150 178.475 176.300 0.042 0.000 1.071 2818 M CA 1.134 56.467 55.300 0.054 0.000 1.140 2818 M CB -1.106 31.512 32.600 0.030 0.000 1.369 2818 M HN 0.247 nan 8.290 nan 0.000 0.423 2819 E N 0.013 120.224 120.200 0.019 0.000 2.051 2819 E HA -0.136 4.214 4.350 0.000 0.000 0.192 2819 E C 2.071 178.609 176.600 -0.103 0.000 0.991 2819 E CA 1.403 57.754 56.400 -0.082 0.000 0.799 2819 E CB -0.415 29.176 29.700 -0.182 0.000 0.748 2819 E HN 0.455 nan 8.360 nan 0.000 0.449 2820 F N 0.657 120.610 119.950 0.005 0.000 2.206 2820 F HA -0.051 4.477 4.527 0.000 0.000 0.298 2820 F C 2.400 178.205 175.800 0.008 0.000 1.090 2820 F CA 0.551 58.554 58.000 0.006 0.000 1.323 2820 F CB -0.165 38.837 39.000 0.005 0.000 1.028 2820 F HN -0.053 nan 8.300 nan 0.000 0.492 2821 I N -0.125 120.559 120.570 0.189 0.000 2.286 2821 I HA -0.263 3.907 4.170 0.000 0.000 0.248 2821 I C 2.015 178.176 176.117 0.074 0.000 1.115 2821 I CA 1.513 62.879 61.300 0.110 0.000 1.392 2821 I CB -0.397 37.650 38.000 0.078 0.000 1.065 2821 I HN 0.175 nan 8.210 nan 0.000 0.418 2822 E N -0.011 120.220 120.200 0.052 0.000 2.216 2822 E HA -0.233 4.117 4.350 0.000 0.000 0.192 2822 E C 2.030 178.640 176.600 0.017 0.000 0.988 2822 E CA 0.521 56.938 56.400 0.029 0.000 0.834 2822 E CB 0.035 29.741 29.700 0.009 0.000 0.772 2822 E HN 0.330 nan 8.360 nan 0.000 0.479 2823 Q N 1.021 120.824 119.800 0.005 0.000 2.172 2823 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 2823 Q C 1.769 177.789 176.000 0.034 0.000 0.964 2823 Q CA 1.137 56.932 55.803 -0.014 0.000 0.855 2823 Q CB 0.213 28.900 28.738 -0.084 0.000 0.918 2823 Q HN 0.147 nan 8.270 nan 0.000 0.444 2824 E N 0.286 120.528 120.200 0.071 0.000 2.051 2824 E HA -0.198 4.152 4.350 0.000 0.000 0.192 2824 E C 1.718 178.355 176.600 0.063 0.000 0.991 2824 E CA 1.124 57.568 56.400 0.073 0.000 0.799 2824 E CB -0.155 29.595 29.700 0.082 0.000 0.748 2824 E HN 0.481 nan 8.360 nan 0.000 0.449 2825 E N 1.388 121.628 120.200 0.066 0.000 2.150 2825 E HA -0.197 4.153 4.350 0.000 0.000 0.193 2825 E C 1.927 178.565 176.600 0.064 0.000 0.985 2825 E CA 1.032 57.485 56.400 0.089 0.000 0.814 2825 E CB 0.132 29.890 29.700 0.097 0.000 0.752 2825 E HN -0.055 nan 8.360 nan 0.000 0.466 2826 K N 0.844 121.258 120.400 0.024 0.000 2.057 2826 K HA -0.072 4.249 4.320 0.000 0.000 0.206 2826 K C 2.294 178.881 176.600 -0.022 0.000 1.050 2826 K CA 1.468 57.745 56.287 -0.016 0.000 0.935 2826 K CB -0.535 31.951 32.500 -0.025 0.000 0.715 2826 K HN 0.148 nan 8.250 nan 0.000 0.439 2827 M N -0.199 119.402 119.600 0.002 0.000 2.065 2827 M HA -0.180 4.300 4.480 0.000 0.000 0.259 2827 M C 1.858 178.164 176.300 0.009 0.000 1.069 2827 M CA 1.744 57.047 55.300 0.006 0.000 1.110 2827 M CB -0.268 32.346 32.600 0.024 0.000 1.328 2827 M HN 0.264 nan 8.290 nan 0.000 0.405 2828 L N 0.765 122.008 121.223 0.033 0.000 2.083 2828 L HA -0.197 4.144 4.340 0.000 0.000 0.209 2828 L C 2.366 179.262 176.870 0.043 0.000 1.083 2828 L CA 1.954 56.829 54.840 0.057 0.000 0.752 2828 L CB -0.779 41.339 42.059 0.098 0.000 0.899 2828 L HN 0.350 nan 8.230 nan 0.000 0.433 2829 K N -0.845 119.543 120.400 -0.021 0.000 2.057 2829 K HA -0.197 4.123 4.320 0.000 0.000 0.207 2829 K C 1.601 178.099 176.600 -0.169 0.000 1.049 2829 K CA 1.770 57.914 56.287 -0.238 0.000 0.931 2829 K CB -0.091 32.154 32.500 -0.425 0.000 0.714 2829 K HN 0.344 nan 8.250 nan 0.000 0.440 2830 D N 0.400 120.743 120.400 -0.095 0.000 2.183 2830 D HA -0.112 4.528 4.640 0.000 0.000 0.203 2830 D C 1.880 178.156 176.300 -0.040 0.000 0.969 2830 D CA 1.067 55.026 54.000 -0.068 0.000 0.842 2830 D CB -0.017 40.755 40.800 -0.046 0.000 0.957 2830 D HN 0.305 nan 8.370 nan 0.000 0.484 2831 M N -0.041 119.547 119.600 -0.021 0.000 2.117 2831 M HA -0.131 4.349 4.480 0.000 0.000 0.262 2831 M C 2.223 178.523 176.300 0.000 0.000 1.065 2831 M CA 0.903 56.203 55.300 -0.001 0.000 1.114 2831 M CB -0.069 32.541 32.600 0.016 0.000 1.361 2831 M HN -0.108 nan 8.290 nan 0.000 0.408 2832 V N 0.245 120.159 119.914 -0.000 0.000 2.358 2832 V HA -0.213 3.908 4.120 0.000 0.000 0.246 2832 V C 2.607 178.691 176.094 -0.016 0.000 1.047 2832 V CA 1.885 64.190 62.300 0.008 0.000 1.035 2832 V CB -1.147 30.701 31.823 0.043 0.000 0.658 2832 V HN 0.513 nan 8.190 nan 0.000 0.452 2833 A N -0.357 122.437 122.820 -0.045 0.000 1.933 2833 A HA -0.245 4.075 4.320 0.000 0.000 0.218 2833 A C 2.167 179.735 177.584 -0.026 0.000 1.175 2833 A CA 1.898 53.907 52.037 -0.046 0.000 0.628 2833 A CB -0.405 18.555 19.000 -0.066 0.000 0.814 2833 A HN 0.638 nan 8.150 nan 0.000 0.444 2834 E N -0.424 119.764 120.200 -0.020 0.000 2.107 2834 E HA -0.086 4.264 4.350 0.000 0.000 0.191 2834 E C 1.838 178.436 176.600 -0.004 0.000 0.982 2834 E CA 0.970 57.364 56.400 -0.010 0.000 0.809 2834 E CB -0.242 29.455 29.700 -0.007 0.000 0.756 2834 E HN 0.700 nan 8.360 nan 0.000 0.459 2835 I N 1.210 121.779 120.570 -0.002 0.000 2.226 2835 I HA -0.274 3.896 4.170 0.000 0.000 0.245 2835 I C 2.444 178.561 176.117 -0.001 0.000 1.100 2835 I CA 0.998 62.300 61.300 0.002 0.000 1.374 2835 I CB -0.118 37.885 38.000 0.005 0.000 1.057 2835 I HN -0.018 nan 8.210 nan 0.000 0.413 2836 K N 1.672 122.069 120.400 -0.005 0.000 2.097 2836 K HA -0.073 4.247 4.320 0.000 0.000 0.205 2836 K C 2.025 178.622 176.600 -0.006 0.000 1.050 2836 K CA 1.618 57.901 56.287 -0.007 0.000 0.938 2836 K CB -0.408 32.086 32.500 -0.011 0.000 0.718 2836 K HN 0.254 nan 8.250 nan 0.000 0.442 2837 A N 0.357 123.172 122.820 -0.007 0.000 1.978 2837 A HA -0.166 4.154 4.320 0.000 0.000 0.220 2837 A C 2.130 179.713 177.584 -0.002 0.000 1.170 2837 A CA 2.165 54.199 52.037 -0.006 0.000 0.636 2837 A CB -1.037 17.959 19.000 -0.008 0.000 0.810 2837 A HN 0.555 nan 8.150 nan 0.000 0.448 2838 S N -1.689 114.012 115.700 0.001 0.000 2.442 2838 S HA 0.231 4.701 4.470 0.000 0.000 0.236 2838 S C 1.643 176.247 174.600 0.007 0.000 1.007 2838 S CA 1.483 59.686 58.200 0.005 0.000 0.965 2838 S CB -0.540 62.665 63.200 0.009 0.000 0.773 2838 S HN 1.988 nan 8.310 nan 0.000 0.504 2839 G N 0.569 109.372 108.800 0.004 0.000 2.176 2839 G HA2 -0.059 3.901 3.960 0.000 0.000 0.232 2839 G HA3 -0.059 3.901 3.960 0.000 0.000 0.232 2839 G C 0.256 175.160 174.900 0.007 0.000 0.986 2839 G CA -0.001 45.103 45.100 0.005 0.000 0.643 2839 G HN 1.365 nan 8.290 nan 0.000 0.522 2840 A N 0.408 123.233 122.820 0.008 0.000 2.498 2840 A HA 0.570 4.890 4.320 0.000 0.000 0.239 2840 A C 1.000 178.583 177.584 -0.001 0.000 1.068 2840 A CA 1.288 53.331 52.037 0.010 0.000 0.766 2840 A CB 0.130 19.137 19.000 0.012 0.000 1.003 2840 A HN 1.356 nan 8.150 nan 0.000 0.497 2841 N N -0.355 118.343 118.700 -0.003 0.000 2.067 2841 N HA 0.175 4.915 4.740 0.000 0.000 0.227 2841 N C -0.902 174.587 175.510 -0.036 0.000 1.348 2841 N CA 0.125 53.166 53.050 -0.016 0.000 0.879 2841 N CB 0.522 39.004 38.487 -0.008 0.000 1.109 2841 N HN 0.269 nan 8.380 nan 0.000 0.501 2842 V N 1.518 121.411 119.914 -0.035 0.000 2.487 2842 V HA 0.600 4.720 4.120 0.000 0.000 0.298 2842 V C -1.353 174.669 176.094 -0.121 0.000 1.028 2842 V CA -0.815 61.428 62.300 -0.094 0.000 0.860 2842 V CB 1.808 33.617 31.823 -0.024 0.000 0.991 2842 V HN 0.219 nan 8.190 nan 0.000 0.427 2843 L N 5.541 126.593 121.223 -0.285 0.000 2.410 2843 L HA 0.736 5.076 4.340 0.000 0.000 0.270 2843 L C -1.572 175.036 176.870 -0.437 0.000 0.983 2843 L CA -0.067 54.647 54.840 -0.209 0.000 0.822 2843 L CB 1.742 43.736 42.059 -0.108 0.000 1.285 2843 L HN 0.476 nan 8.230 nan 0.000 0.409 2844 F N 4.630 124.584 119.950 0.006 0.000 2.427 2844 F HA 0.486 5.013 4.527 0.000 0.000 0.348 2844 F C -0.041 175.762 175.800 0.004 0.000 1.125 2844 F CA -0.438 57.564 58.000 0.003 0.000 0.989 2844 F CB 1.602 40.602 39.000 -0.001 0.000 1.165 2844 F HN 0.507 nan 8.300 nan 0.000 0.442 2845 C N 4.891 124.273 119.300 0.136 0.000 2.303 2845 C HA 0.244 4.704 4.460 0.000 0.000 0.326 2845 C C 1.642 176.684 174.990 0.087 0.000 1.285 2845 C CA -0.404 58.667 59.018 0.088 0.000 1.675 2845 C CB 0.757 28.525 27.740 0.046 0.000 2.289 2845 C HN 0.965 nan 8.230 nan 0.000 0.512 2846 Q N 3.396 123.238 119.800 0.070 0.000 2.124 2846 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 2846 Q C 0.791 176.814 176.000 0.039 0.000 0.977 2846 Q CA 1.632 57.466 55.803 0.051 0.000 0.850 2846 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 2846 Q HN 0.758 nan 8.270 nan 0.000 0.429 2847 K N -1.146 119.275 120.400 0.035 0.000 2.632 2847 K HA 0.433 4.753 4.320 0.000 0.000 0.267 2847 K C 0.329 176.946 176.600 0.028 0.000 1.028 2847 K CA -0.203 56.101 56.287 0.028 0.000 1.045 2847 K CB 0.145 32.660 32.500 0.024 0.000 1.400 2847 K HN 0.114 nan 8.250 nan 0.000 0.522 2848 G N 0.263 109.077 108.800 0.023 0.000 2.634 2848 G HA2 0.428 4.388 3.960 0.000 0.000 0.255 2848 G HA3 0.428 4.388 3.960 0.000 0.000 0.255 2848 G C -0.522 174.391 174.900 0.022 0.000 1.205 2848 G CA -0.513 44.600 45.100 0.021 0.000 0.884 2848 G HN 0.371 nan 8.290 nan 0.000 0.549 2849 I N 0.350 120.932 120.570 0.019 0.000 2.499 2849 I HA 0.169 4.339 4.170 0.000 0.000 0.288 2849 I C -0.584 175.546 176.117 0.021 0.000 1.048 2849 I CA -0.790 60.523 61.300 0.021 0.000 1.062 2849 I CB 2.151 40.160 38.000 0.016 0.000 1.238 2849 I HN 0.420 nan 8.210 nan 0.000 0.426 2850 D N 5.240 125.657 120.400 0.028 0.000 2.414 2850 D HA -0.037 4.603 4.640 0.000 0.000 0.242 2850 D C 0.631 176.945 176.300 0.024 0.000 1.129 2850 D CA 0.141 54.157 54.000 0.026 0.000 0.885 2850 D CB 1.320 42.141 40.800 0.035 0.000 1.198 2850 D HN 0.496 nan 8.370 nan 0.000 0.437 2851 D N 3.133 123.540 120.400 0.012 0.000 2.190 2851 D HA -0.169 4.471 4.640 0.000 0.000 0.200 2851 D C 1.911 178.208 176.300 -0.005 0.000 0.992 2851 D CA 0.764 54.764 54.000 0.001 0.000 0.854 2851 D CB 0.261 41.054 40.800 -0.012 0.000 0.936 2851 D HN 0.342 nan 8.370 nan 0.000 0.462 2852 L N 1.005 122.226 121.223 -0.003 0.000 2.056 2852 L HA -0.075 4.266 4.340 0.000 0.000 0.207 2852 L C 2.524 179.422 176.870 0.046 0.000 1.078 2852 L CA 1.223 56.049 54.840 -0.023 0.000 0.749 2852 L CB -1.067 41.009 42.059 0.028 0.000 0.901 2852 L HN -0.051 nan 8.230 nan 0.000 0.433 2853 A N -1.334 121.551 122.820 0.108 0.000 1.930 2853 A HA -0.225 4.095 4.320 0.000 0.000 0.217 2853 A C 2.213 179.862 177.584 0.107 0.000 1.175 2853 A CA 1.324 53.453 52.037 0.155 0.000 0.627 2853 A CB -0.432 18.630 19.000 0.105 0.000 0.815 2853 A HN 0.525 nan 8.150 nan 0.000 0.443 2854 Q N -1.280 118.554 119.800 0.056 0.000 2.084 2854 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 2854 Q C 2.156 178.169 176.000 0.022 0.000 0.978 2854 Q CA 1.532 57.352 55.803 0.029 0.000 0.844 2854 Q CB -0.391 28.357 28.738 0.017 0.000 0.898 2854 Q HN 0.910 nan 8.270 nan 0.000 0.426 2855 H N -0.253 118.763 119.070 -0.090 0.000 2.293 2855 H HA -0.163 4.393 4.556 0.000 0.000 0.300 2855 H C 1.547 176.815 175.328 -0.100 0.000 1.082 2855 H CA 1.588 57.545 56.048 -0.151 0.000 1.308 2855 H CB -0.056 29.530 29.762 -0.295 0.000 1.375 2855 H HN 0.266 nan 8.280 nan 0.000 0.495 2856 Y N 0.911 121.229 120.300 0.030 0.000 2.274 2856 Y HA -0.120 4.431 4.550 0.000 0.000 0.290 2856 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 2856 Y CA 0.636 58.718 58.100 -0.029 0.000 1.203 2856 Y CB -0.523 37.975 38.460 0.063 0.000 0.984 2856 Y HN 0.155 nan 8.280 nan 0.000 0.533 2857 L N -1.112 120.164 121.223 0.089 0.000 2.046 2857 L HA -0.236 4.104 4.340 0.000 0.000 0.208 2857 L C 2.641 179.491 176.870 -0.034 0.000 1.077 2857 L CA 1.223 56.075 54.840 0.020 0.000 0.747 2857 L CB -0.813 41.251 42.059 0.009 0.000 0.896 2857 L HN 0.192 nan 8.230 nan 0.000 0.432 2858 A N -0.447 122.325 122.820 -0.080 0.000 1.933 2858 A HA -0.168 4.152 4.320 0.000 0.000 0.218 2858 A C 2.249 179.759 177.584 -0.124 0.000 1.175 2858 A CA 1.377 53.349 52.037 -0.108 0.000 0.628 2858 A CB -0.233 18.686 19.000 -0.135 0.000 0.814 2858 A HN 0.195 nan 8.150 nan 0.000 0.444 2859 K N -0.044 120.252 120.400 -0.173 0.000 2.296 2859 K HA -0.003 4.317 4.320 0.000 0.000 0.200 2859 K C 1.150 177.725 176.600 -0.043 0.000 1.048 2859 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 2859 K CB -0.056 32.354 32.500 -0.150 0.000 0.754 2859 K HN 0.474 nan 8.250 nan 0.000 0.466 2860 E N -0.107 120.079 120.200 -0.024 0.000 2.489 2860 E HA 0.023 4.373 4.350 0.000 0.000 0.193 2860 E C 0.743 177.332 176.600 -0.020 0.000 1.057 2860 E CA 0.353 56.746 56.400 -0.012 0.000 0.866 2860 E CB 0.209 29.909 29.700 -0.002 0.000 0.916 2860 E HN 0.433 nan 8.360 nan 0.000 0.500 2861 G N 1.873 110.655 108.800 -0.030 0.000 2.147 2861 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 2861 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 2861 G C 0.243 175.124 174.900 -0.031 0.000 1.005 2861 G CA 0.146 45.228 45.100 -0.029 0.000 0.713 2861 G HN 0.257 nan 8.290 nan 0.000 0.515 2862 I N 1.153 121.703 120.570 -0.034 0.000 2.315 2862 I HA 0.442 4.612 4.170 0.000 0.000 0.291 2862 I C 1.019 177.101 176.117 -0.059 0.000 1.006 2862 I CA -1.143 60.133 61.300 -0.041 0.000 1.265 2862 I CB 1.562 39.542 38.000 -0.033 0.000 1.387 2862 I HN 0.151 nan 8.210 nan 0.000 0.475 2863 V N 3.827 123.695 119.914 -0.076 0.000 2.644 2863 V HA 0.937 5.057 4.120 0.000 0.000 0.295 2863 V C 0.051 176.044 176.094 -0.167 0.000 1.053 2863 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 2863 V CB 1.264 33.029 31.823 -0.097 0.000 1.006 2863 V HN 0.855 nan 8.190 nan 0.000 0.472 2864 A N 3.234 125.950 122.820 -0.173 0.000 2.594 2864 A HA 1.004 5.324 4.320 0.000 0.000 0.295 2864 A C -0.468 177.000 177.584 -0.193 0.000 1.071 2864 A CA -0.331 51.577 52.037 -0.217 0.000 0.685 2864 A CB 1.741 20.668 19.000 -0.122 0.000 1.285 2864 A HN 2.449 nan 8.150 nan 0.000 0.405 2865 A N 1.434 124.119 122.820 -0.224 0.000 2.398 2865 A HA 0.764 5.084 4.320 0.000 0.000 0.301 2865 A C -0.153 177.428 177.584 -0.005 0.000 1.041 2865 A CA -0.550 51.434 52.037 -0.088 0.000 0.711 2865 A CB 0.944 19.916 19.000 -0.047 0.000 1.240 2865 A HN 1.352 nan 8.150 nan 0.000 0.420 2866 R N 1.691 122.201 120.500 0.016 0.000 2.608 2866 R HA 0.731 5.071 4.340 0.000 0.000 0.255 2866 R C -0.346 175.982 176.300 0.048 0.000 1.086 2866 R CA -0.742 55.378 56.100 0.033 0.000 1.125 2866 R CB 0.399 30.710 30.300 0.019 0.000 1.193 2866 R HN 0.504 nan 8.270 nan 0.000 0.553 2867 R N -0.944 119.582 120.500 0.043 0.000 3.516 2867 R HA -0.110 4.230 4.340 0.000 0.000 0.271 2867 R C -0.712 175.615 176.300 0.045 0.000 1.098 2867 R CA 0.571 56.693 56.100 0.037 0.000 0.732 2867 R CB -2.661 27.655 30.300 0.026 0.000 1.152 2867 R HN 0.527 nan 8.270 nan 0.000 0.455 2868 V N 1.509 121.463 119.914 0.067 0.000 2.572 2868 V HA 0.035 4.155 4.120 0.000 0.000 0.291 2868 V C 1.492 177.604 176.094 0.031 0.000 1.039 2868 V CA -0.129 62.215 62.300 0.073 0.000 1.055 2868 V CB 1.166 33.069 31.823 0.134 0.000 0.969 2868 V HN 0.149 nan 8.190 nan 0.000 0.482 2869 K N 4.139 124.545 120.400 0.010 0.000 2.489 2869 K HA -0.025 4.295 4.320 0.000 0.000 0.278 2869 K C 1.377 177.968 176.600 -0.015 0.000 1.000 2869 K CA 0.089 56.373 56.287 -0.006 0.000 1.012 2869 K CB 0.321 32.811 32.500 -0.017 0.000 0.903 2869 K HN 0.710 nan 8.250 nan 0.000 0.485 2870 K N 2.298 122.692 120.400 -0.010 0.000 2.113 2870 K HA -0.218 4.102 4.320 0.000 0.000 0.208 2870 K C 1.863 178.446 176.600 -0.028 0.000 1.047 2870 K CA 2.024 58.302 56.287 -0.014 0.000 0.928 2870 K CB -0.139 32.357 32.500 -0.008 0.000 0.716 2870 K HN 0.619 nan 8.250 nan 0.000 0.446 2871 S N 0.654 116.335 115.700 -0.031 0.000 2.368 2871 S HA -0.156 4.314 4.470 0.000 0.000 0.225 2871 S C 1.349 175.912 174.600 -0.062 0.000 1.030 2871 S CA 1.737 59.912 58.200 -0.040 0.000 0.999 2871 S CB -0.340 62.838 63.200 -0.036 0.000 0.844 2871 S HN 0.372 nan 8.310 nan 0.000 0.459 2872 D N 0.857 121.213 120.400 -0.074 0.000 2.144 2872 D HA -0.034 4.606 4.640 0.000 0.000 0.200 2872 D C 1.976 178.183 176.300 -0.155 0.000 0.978 2872 D CA 0.877 54.804 54.000 -0.120 0.000 0.833 2872 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 2872 D HN 0.375 nan 8.370 nan 0.000 0.470 2873 M N 0.476 120.013 119.600 -0.106 0.000 2.159 2873 M HA -0.089 4.391 4.480 0.000 0.000 0.263 2873 M C 1.882 178.132 176.300 -0.084 0.000 1.063 2873 M CA 1.196 56.440 55.300 -0.093 0.000 1.110 2873 M CB -0.737 31.843 32.600 -0.034 0.000 1.374 2873 M HN 0.111 nan 8.290 nan 0.000 0.411 2874 E N -0.003 120.157 120.200 -0.067 0.000 2.107 2874 E HA -0.135 4.215 4.350 0.000 0.000 0.191 2874 E C 2.012 178.571 176.600 -0.068 0.000 0.982 2874 E CA 0.825 57.192 56.400 -0.054 0.000 0.809 2874 E CB 0.020 29.696 29.700 -0.040 0.000 0.756 2874 E HN 0.500 nan 8.360 nan 0.000 0.459 2875 K N 0.534 120.881 120.400 -0.088 0.000 2.148 2875 K HA -0.060 4.261 4.320 0.000 0.000 0.204 2875 K C 2.108 178.638 176.600 -0.117 0.000 1.050 2875 K CA 0.639 56.869 56.287 -0.095 0.000 0.942 2875 K CB 0.030 32.468 32.500 -0.104 0.000 0.724 2875 K HN 0.089 nan 8.250 nan 0.000 0.446 2876 L N 0.367 121.493 121.223 -0.161 0.000 2.093 2876 L HA -0.148 4.192 4.340 0.000 0.000 0.208 2876 L C 2.545 179.355 176.870 -0.101 0.000 1.085 2876 L CA 0.995 55.722 54.840 -0.188 0.000 0.755 2876 L CB -0.492 41.370 42.059 -0.329 0.000 0.904 2876 L HN 0.183 nan 8.230 nan 0.000 0.435 2877 A N 0.228 123.004 122.820 -0.073 0.000 1.877 2877 A HA -0.213 4.108 4.320 0.000 0.000 0.216 2877 A C 2.323 179.891 177.584 -0.026 0.000 1.186 2877 A CA 1.688 53.704 52.037 -0.035 0.000 0.620 2877 A CB -0.301 18.684 19.000 -0.026 0.000 0.822 2877 A HN 0.316 nan 8.150 nan 0.000 0.443 2878 K N -0.436 119.943 120.400 -0.035 0.000 2.103 2878 K HA 0.067 4.388 4.320 0.000 0.000 0.204 2878 K C 2.340 178.923 176.600 -0.028 0.000 1.052 2878 K CA 0.937 57.209 56.287 -0.026 0.000 0.945 2878 K CB -0.257 32.224 32.500 -0.032 0.000 0.722 2878 K HN 0.426 nan 8.250 nan 0.000 0.443 2879 A N 1.346 124.140 122.820 -0.044 0.000 1.840 2879 A HA -0.146 4.174 4.320 0.000 0.000 0.214 2879 A C 2.329 179.901 177.584 -0.021 0.000 1.198 2879 A CA 2.214 54.224 52.037 -0.045 0.000 0.608 2879 A CB -1.099 17.865 19.000 -0.060 0.000 0.839 2879 A HN 0.437 nan 8.150 nan 0.000 0.443 2880 T N -4.155 110.390 114.554 -0.016 0.000 3.043 2880 T HA 0.356 4.706 4.350 0.000 0.000 0.263 2880 T C 1.425 176.137 174.700 0.021 0.000 1.094 2880 T CA 1.245 63.351 62.100 0.009 0.000 1.127 2880 T CB -0.156 68.723 68.868 0.017 0.000 0.905 2880 T HN 1.853 nan 8.240 nan 0.000 0.490 2881 G N 1.349 110.157 108.800 0.014 0.000 2.137 2881 G HA2 -0.000 3.960 3.960 0.000 0.000 0.237 2881 G HA3 -0.000 3.960 3.960 0.000 0.000 0.237 2881 G C 0.220 175.131 174.900 0.020 0.000 1.002 2881 G CA -0.039 45.074 45.100 0.022 0.000 0.702 2881 G HN 1.175 nan 8.290 nan 0.000 0.515 2882 A N -0.385 122.445 122.820 0.016 0.000 2.407 2882 A HA 0.622 4.943 4.320 0.000 0.000 0.248 2882 A C 0.418 178.012 177.584 0.016 0.000 1.082 2882 A CA 0.375 52.426 52.037 0.023 0.000 0.785 2882 A CB 0.474 19.493 19.000 0.032 0.000 1.020 2882 A HN 0.774 nan 8.150 nan 0.000 0.489 2883 N N 1.218 119.930 118.700 0.021 0.000 2.421 2883 N HA 0.371 5.111 4.740 0.000 0.000 0.285 2883 N C -0.878 174.643 175.510 0.019 0.000 1.027 2883 N CA -0.364 52.696 53.050 0.017 0.000 0.918 2883 N CB 1.307 39.803 38.487 0.016 0.000 1.152 2883 N HN 0.281 nan 8.380 nan 0.000 0.485 2884 V N 4.901 124.824 119.914 0.014 0.000 2.446 2884 V HA 0.180 4.300 4.120 0.000 0.000 0.276 2884 V C 0.257 176.362 176.094 0.018 0.000 1.030 2884 V CA -0.086 62.224 62.300 0.016 0.000 1.033 2884 V CB -0.270 31.558 31.823 0.008 0.000 0.993 2884 V HN 0.514 nan 8.190 nan 0.000 0.477 2885 I N 4.007 124.592 120.570 0.024 0.000 2.474 2885 I HA 0.455 4.625 4.170 0.000 0.000 0.294 2885 I C 0.976 177.106 176.117 0.022 0.000 1.005 2885 I CA -0.375 60.938 61.300 0.022 0.000 1.113 2885 I CB 1.479 39.493 38.000 0.023 0.000 1.289 2885 I HN 0.602 nan 8.210 nan 0.000 0.436 2886 A N 5.481 128.312 122.820 0.018 0.000 1.840 2886 A HA 0.361 4.681 4.320 0.000 0.000 0.214 2886 A C 1.109 178.704 177.584 0.018 0.000 1.198 2886 A CA 1.111 53.158 52.037 0.017 0.000 0.608 2886 A CB -0.154 18.854 19.000 0.014 0.000 0.839 2886 A HN 0.732 nan 8.150 nan 0.000 0.443 2887 A N -1.101 121.729 122.820 0.017 0.000 2.312 2887 A HA 0.651 4.972 4.320 0.000 0.000 0.328 2887 A C 0.823 178.417 177.584 0.016 0.000 1.158 2887 A CA -0.571 51.476 52.037 0.016 0.000 0.821 2887 A CB 0.401 19.409 19.000 0.013 0.000 1.170 2887 A HN 0.347 nan 8.150 nan 0.000 0.490 2888 I N 1.482 122.062 120.570 0.016 0.000 2.226 2888 I HA -0.287 3.883 4.170 0.000 0.000 0.245 2888 I C 2.779 178.903 176.117 0.012 0.000 1.100 2888 I CA 1.750 63.059 61.300 0.015 0.000 1.374 2888 I CB -0.270 37.739 38.000 0.015 0.000 1.057 2888 I HN 0.760 nan 8.210 nan 0.000 0.413 2889 A N 0.727 123.553 122.820 0.010 0.000 1.978 2889 A HA -0.182 4.138 4.320 0.000 0.000 0.220 2889 A C 2.447 180.035 177.584 0.008 0.000 1.170 2889 A CA 1.866 53.907 52.037 0.007 0.000 0.636 2889 A CB -0.714 18.289 19.000 0.006 0.000 0.810 2889 A HN 0.457 nan 8.150 nan 0.000 0.448 2890 A N -0.743 122.083 122.820 0.010 0.000 2.168 2890 A HA 0.308 4.628 4.320 0.000 0.000 0.215 2890 A C 0.991 178.582 177.584 0.011 0.000 1.152 2890 A CA -0.024 52.019 52.037 0.010 0.000 0.716 2890 A CB -0.466 18.541 19.000 0.011 0.000 0.794 2890 A HN 0.460 nan 8.150 nan 0.000 0.465 2891 L N 1.457 122.688 121.223 0.013 0.000 2.490 2891 L HA 0.213 4.554 4.340 0.000 0.000 0.274 2891 L C 0.667 177.544 176.870 0.011 0.000 1.201 2891 L CA 0.252 55.100 54.840 0.014 0.000 0.869 2891 L CB 0.569 42.637 42.059 0.015 0.000 1.123 2891 L HN 0.491 nan 8.230 nan 0.000 0.484 2892 S N 1.209 116.916 115.700 0.013 0.000 2.625 2892 S HA 0.569 5.040 4.470 0.000 0.000 0.271 2892 S C 0.357 174.965 174.600 0.013 0.000 1.161 2892 S CA -0.291 57.915 58.200 0.011 0.000 0.820 2892 S CB 1.520 64.726 63.200 0.009 0.000 1.137 2892 S HN 0.601 nan 8.310 nan 0.000 0.470 2893 A N 0.571 123.397 122.820 0.011 0.000 1.978 2893 A HA -0.134 4.186 4.320 0.000 0.000 0.220 2893 A C 2.057 179.650 177.584 0.014 0.000 1.170 2893 A CA 2.024 54.069 52.037 0.013 0.000 0.636 2893 A CB -1.111 17.895 19.000 0.010 0.000 0.810 2893 A HN 0.901 nan 8.150 nan 0.000 0.448 2894 Q N -0.795 119.012 119.800 0.012 0.000 2.369 2894 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 2894 Q C 0.533 176.542 176.000 0.015 0.000 0.963 2894 Q CA 1.292 57.102 55.803 0.013 0.000 0.894 2894 Q CB 0.007 28.751 28.738 0.010 0.000 0.965 2894 Q HN 0.610 nan 8.270 nan 0.000 0.475 2895 D N -0.147 120.263 120.400 0.017 0.000 2.354 2895 D HA 0.079 4.719 4.640 0.000 0.000 0.209 2895 D C 0.122 176.437 176.300 0.025 0.000 1.015 2895 D CA 0.212 54.223 54.000 0.019 0.000 0.867 2895 D CB 0.392 41.203 40.800 0.019 0.000 0.933 2895 D HN 0.272 nan 8.370 nan 0.000 0.520 2896 L N 0.705 121.944 121.223 0.027 0.000 2.395 2896 L HA 0.397 4.738 4.340 0.000 0.000 0.269 2896 L C 1.193 178.084 176.870 0.034 0.000 1.133 2896 L CA -0.503 54.358 54.840 0.034 0.000 0.812 2896 L CB 1.206 43.284 42.059 0.032 0.000 1.125 2896 L HN -0.138 nan 8.230 nan 0.000 0.452 2897 G N 0.530 109.356 108.800 0.043 0.000 2.491 2897 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 2897 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 2897 G C -1.341 173.586 174.900 0.046 0.000 1.189 2897 G CA -0.424 44.701 45.100 0.041 0.000 0.956 2897 G HN 0.519 nan 8.290 nan 0.000 0.491 2898 D N -0.327 120.098 120.400 0.042 0.000 2.362 2898 D HA 0.657 5.297 4.640 0.000 0.000 0.247 2898 D C -0.269 176.058 176.300 0.046 0.000 1.050 2898 D CA 0.058 54.084 54.000 0.043 0.000 0.839 2898 D CB 1.978 42.801 40.800 0.037 0.000 1.283 2898 D HN 0.590 nan 8.370 nan 0.000 0.477 2899 A N 0.425 123.276 122.820 0.051 0.000 2.486 2899 A HA 0.649 4.969 4.320 0.000 0.000 0.300 2899 A C 1.001 178.615 177.584 0.049 0.000 1.048 2899 A CA -0.407 51.662 52.037 0.053 0.000 0.696 2899 A CB 1.669 20.712 19.000 0.071 0.000 1.278 2899 A HN 0.487 nan 8.150 nan 0.000 0.405 2900 G N 0.180 109.007 108.800 0.044 0.000 2.402 2900 G HA2 0.311 4.271 3.960 0.000 0.000 0.216 2900 G HA3 0.311 4.271 3.960 0.000 0.000 0.216 2900 G C 0.279 175.203 174.900 0.040 0.000 1.162 2900 G CA 1.660 46.783 45.100 0.038 0.000 0.777 2900 G HN 1.178 nan 8.290 nan 0.000 0.539 2901 L N -0.155 121.099 121.223 0.051 0.000 2.493 2901 L HA 0.639 4.979 4.340 0.000 0.000 0.265 2901 L C -1.412 175.508 176.870 0.083 0.000 0.954 2901 L CA -0.800 54.073 54.840 0.055 0.000 0.844 2901 L CB 2.545 44.630 42.059 0.043 0.000 1.302 2901 L HN -0.133 nan 8.230 nan 0.000 0.405 2902 V N 4.219 124.183 119.914 0.084 0.000 2.407 2902 V HA 0.638 4.758 4.120 0.000 0.000 0.291 2902 V C -0.534 175.618 176.094 0.096 0.000 1.018 2902 V CA -0.440 61.929 62.300 0.114 0.000 0.842 2902 V CB 1.456 33.347 31.823 0.114 0.000 0.996 2902 V HN 0.827 nan 8.190 nan 0.000 0.426 2903 E N 3.187 123.467 120.200 0.133 0.000 2.292 2903 E HA 0.412 4.762 4.350 0.000 0.000 0.272 2903 E C -1.039 175.657 176.600 0.160 0.000 0.881 2903 E CA -0.656 55.805 56.400 0.101 0.000 0.754 2903 E CB 2.193 31.921 29.700 0.047 0.000 1.201 2903 E HN 0.751 nan 8.360 nan 0.000 0.425 2904 E N 4.315 124.579 120.200 0.108 0.000 2.130 2904 E HA 0.261 4.611 4.350 0.000 0.000 0.284 2904 E C -0.898 175.761 176.600 0.097 0.000 1.018 2904 E CA -0.286 56.189 56.400 0.125 0.000 0.817 2904 E CB 0.698 30.441 29.700 0.072 0.000 1.078 2904 E HN 0.354 nan 8.360 nan 0.000 0.396 2905 R N 3.428 124.023 120.500 0.158 0.000 2.807 2905 R HA 0.380 4.721 4.340 0.000 0.000 0.276 2905 R C -0.740 175.630 176.300 0.118 0.000 0.979 2905 R CA -0.964 55.177 56.100 0.070 0.000 0.928 2905 R CB 1.880 32.116 30.300 -0.106 0.000 1.191 2905 R HN 0.321 nan 8.270 nan 0.000 0.471 2906 K N 2.490 122.924 120.400 0.056 0.000 2.262 2906 K HA 0.335 4.655 4.320 0.000 0.000 0.282 2906 K C -0.482 176.158 176.600 0.066 0.000 1.066 2906 K CA -0.328 55.996 56.287 0.061 0.000 0.901 2906 K CB 0.792 33.311 32.500 0.031 0.000 1.089 2906 K HN 0.255 nan 8.250 nan 0.000 0.476 2907 I N 2.524 123.155 120.570 0.100 0.000 2.359 2907 I HA 0.051 4.221 4.170 0.000 0.000 0.284 2907 I C 0.699 176.853 176.117 0.061 0.000 1.018 2907 I CA -0.178 61.182 61.300 0.101 0.000 1.173 2907 I CB 0.655 38.760 38.000 0.175 0.000 1.326 2907 I HN 0.727 nan 8.210 nan 0.000 0.462 2908 S N 4.550 120.274 115.700 0.041 0.000 3.635 2908 S HA -0.212 4.258 4.470 0.000 0.000 0.328 2908 S C 1.389 176.002 174.600 0.022 0.000 1.135 2908 S CA 1.543 59.758 58.200 0.025 0.000 0.942 2908 S CB -1.046 62.167 63.200 0.022 0.000 0.930 2908 S HN 1.472 nan 8.310 nan 0.000 0.512 2909 G N -0.048 108.767 108.800 0.025 0.000 2.363 2909 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 2909 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 2909 G C -0.295 174.622 174.900 0.028 0.000 1.062 2909 G CA 0.306 45.419 45.100 0.022 0.000 0.629 2909 G HN 0.686 nan 8.290 nan 0.000 0.514 2910 D N 1.893 122.313 120.400 0.032 0.000 2.425 2910 D HA 0.460 5.100 4.640 0.000 0.000 0.247 2910 D C 1.020 177.352 176.300 0.053 0.000 1.147 2910 D CA 0.823 54.844 54.000 0.034 0.000 0.879 2910 D CB 1.275 42.091 40.800 0.027 0.000 1.179 2910 D HN 0.652 nan 8.370 nan 0.000 0.456 2911 S N 2.390 118.119 115.700 0.048 0.000 2.488 2911 S HA 0.461 4.931 4.470 0.000 0.000 0.278 2911 S C 0.129 174.771 174.600 0.070 0.000 1.259 2911 S CA -0.610 57.628 58.200 0.063 0.000 1.061 2911 S CB 0.502 63.730 63.200 0.046 0.000 0.910 2911 S HN 0.365 nan 8.310 nan 0.000 0.491 2912 M N 2.901 122.570 119.600 0.115 0.000 2.550 2912 M HA 0.517 4.997 4.480 0.000 0.000 0.292 2912 M C -1.094 175.297 176.300 0.150 0.000 1.221 2912 M CA -0.576 54.775 55.300 0.084 0.000 0.873 2912 M CB 2.283 34.907 32.600 0.040 0.000 1.727 2912 M HN 0.548 nan 8.290 nan 0.000 0.459 2913 I N 1.783 122.386 120.570 0.056 0.000 2.362 2913 I HA 0.367 4.537 4.170 0.000 0.000 0.289 2913 I C -1.332 174.795 176.117 0.017 0.000 0.994 2913 I CA -0.388 60.995 61.300 0.140 0.000 1.158 2913 I CB 1.064 39.170 38.000 0.177 0.000 1.315 2913 I HN 0.467 nan 8.210 nan 0.000 0.451 2914 F N 6.115 126.102 119.950 0.062 0.000 2.334 2914 F HA 0.333 4.860 4.527 0.000 0.000 0.367 2914 F C 0.130 175.965 175.800 0.060 0.000 1.115 2914 F CA -0.677 57.351 58.000 0.046 0.000 1.116 2914 F CB 1.226 40.243 39.000 0.028 0.000 1.230 2914 F HN 0.037 nan 8.300 nan 0.000 0.484 2915 V N 4.651 124.655 119.914 0.149 0.000 2.304 2915 V HA 0.315 4.435 4.120 0.000 0.000 0.269 2915 V C -0.136 176.013 176.094 0.092 0.000 1.036 2915 V CA -0.516 61.858 62.300 0.124 0.000 0.840 2915 V CB 0.344 32.217 31.823 0.084 0.000 1.036 2915 V HN 0.793 nan 8.190 nan 0.000 0.466 2916 E N 3.160 123.424 120.200 0.107 0.000 2.423 2916 E HA 0.608 4.959 4.350 0.000 0.000 0.269 2916 E C -0.727 175.909 176.600 0.060 0.000 0.948 2916 E CA -0.856 55.596 56.400 0.086 0.000 0.802 2916 E CB 1.568 31.338 29.700 0.117 0.000 1.339 2916 E HN 0.206 nan 8.360 nan 0.000 0.445 2917 E N -0.792 119.434 120.200 0.045 0.000 2.416 2917 E HA -0.150 4.200 4.350 0.000 0.000 0.249 2917 E C -0.726 175.894 176.600 0.032 0.000 1.124 2917 E CA 0.569 56.989 56.400 0.034 0.000 0.732 2917 E CB -2.289 27.431 29.700 0.034 0.000 1.286 2917 E HN 0.567 nan 8.360 nan 0.000 0.394 2918 C N 0.637 119.952 119.300 0.026 0.000 2.676 2918 C HA 0.068 4.528 4.460 0.000 0.000 0.416 2918 C C 2.282 177.291 174.990 0.031 0.000 1.299 2918 C CA -0.158 58.875 59.018 0.024 0.000 2.048 2918 C CB 0.452 28.195 27.740 0.006 0.000 2.713 2918 C HN 0.410 nan 8.230 nan 0.000 0.624 2919 K N 0.627 121.055 120.400 0.047 0.000 1.969 2919 K HA -0.145 4.175 4.320 0.000 0.000 0.216 2919 K C 0.601 177.270 176.600 0.115 0.000 1.048 2919 K CA 1.712 58.041 56.287 0.070 0.000 0.948 2919 K CB -0.124 32.418 32.500 0.070 0.000 0.726 2919 K HN 0.749 nan 8.250 nan 0.000 0.442 2920 H N 0.623 119.697 119.070 0.006 0.000 2.569 2920 H HA 0.217 4.773 4.556 0.000 0.000 0.247 2920 H C -2.675 172.653 175.328 0.001 0.000 1.346 2920 H CA -2.320 53.731 56.048 0.004 0.000 1.502 2920 H CB 0.539 30.302 29.762 0.003 0.000 1.512 2920 H HN -0.020 nan 8.280 nan 0.000 0.502 2921 P HA 0.075 nan 4.420 nan 0.000 0.271 2921 P C 0.317 177.478 177.300 -0.232 0.000 1.220 2921 P CA -0.265 62.747 63.100 -0.148 0.000 0.768 2921 P CB 1.669 33.310 31.700 -0.099 0.000 0.848 2922 K N 1.617 121.938 120.400 -0.131 0.000 2.374 2922 K HA 0.316 4.636 4.320 0.000 0.000 0.196 2922 K C -0.040 176.515 176.600 -0.075 0.000 1.023 2922 K CA -0.080 56.146 56.287 -0.102 0.000 1.103 2922 K CB 0.362 32.839 32.500 -0.037 0.000 0.848 2922 K HN 0.576 nan 8.250 nan 0.000 0.528 2923 A N 0.956 123.731 122.820 -0.075 0.000 2.427 2923 A HA 0.528 4.848 4.320 0.000 0.000 0.298 2923 A C -0.941 176.604 177.584 -0.065 0.000 1.036 2923 A CA -0.740 51.259 52.037 -0.063 0.000 0.701 2923 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 2923 A HN 0.042 nan 8.150 nan 0.000 0.412 2924 V N -0.796 119.084 119.914 -0.057 0.000 3.074 2924 V HA 0.969 5.089 4.120 0.000 0.000 0.314 2924 V C -0.428 175.637 176.094 -0.049 0.000 1.117 2924 V CA -0.612 61.659 62.300 -0.049 0.000 1.014 2924 V CB 1.722 33.520 31.823 -0.041 0.000 1.057 2924 V HN 0.826 nan 8.190 nan 0.000 0.438 2925 T N 3.974 118.501 114.554 -0.045 0.000 2.841 2925 T HA 0.552 4.902 4.350 0.000 0.000 0.285 2925 T C -0.572 174.109 174.700 -0.032 0.000 0.991 2925 T CA -0.207 61.861 62.100 -0.053 0.000 0.966 2925 T CB 1.358 70.173 68.868 -0.089 0.000 0.962 2925 T HN 0.956 nan 8.240 nan 0.000 0.438 2926 M N 4.625 124.209 119.600 -0.028 0.000 2.101 2926 M HA 0.544 5.024 4.480 0.000 0.000 0.340 2926 M C -1.419 174.875 176.300 -0.010 0.000 1.057 2926 M CA -1.087 54.208 55.300 -0.009 0.000 0.984 2926 M CB 0.562 33.157 32.600 -0.008 0.000 1.560 2926 M HN 0.484 nan 8.290 nan 0.000 0.435 2927 L N 7.060 128.290 121.223 0.013 0.000 2.257 2927 L HA 0.518 4.858 4.340 0.000 0.000 0.290 2927 L C -1.386 175.502 176.870 0.030 0.000 1.044 2927 L CA -0.034 54.819 54.840 0.022 0.000 0.810 2927 L CB 0.807 42.908 42.059 0.071 0.000 1.193 2927 L HN 0.674 nan 8.230 nan 0.000 0.425 2928 I N 5.965 126.545 120.570 0.017 0.000 2.331 2928 I HA 0.481 4.651 4.170 0.000 0.000 0.292 2928 I C 0.162 176.293 176.117 0.022 0.000 0.998 2928 I CA -0.074 61.236 61.300 0.017 0.000 1.267 2928 I CB 0.687 38.692 38.000 0.009 0.000 1.386 2928 I HN 0.522 nan 8.210 nan 0.000 0.476 2929 R N 3.995 124.509 120.500 0.024 0.000 2.873 2929 R HA 0.944 5.284 4.340 0.000 0.000 0.264 2929 R C -0.232 176.079 176.300 0.019 0.000 1.026 2929 R CA -1.153 54.961 56.100 0.024 0.000 1.002 2929 R CB 1.798 32.114 30.300 0.028 0.000 1.174 2929 R HN 0.821 nan 8.270 nan 0.000 0.488 2930 G N -0.871 107.939 108.800 0.017 0.000 2.340 2930 G HA2 0.062 4.022 3.960 0.000 0.000 0.298 2930 G HA3 0.062 4.022 3.960 0.000 0.000 0.298 2930 G C -0.009 174.900 174.900 0.015 0.000 1.498 2930 G CA -0.560 44.550 45.100 0.017 0.000 0.847 2930 G HN 0.303 nan 8.290 nan 0.000 0.594 2931 T N 0.372 114.936 114.554 0.017 0.000 2.915 2931 T HA 0.200 4.550 4.350 0.000 0.000 0.269 2931 T C 0.865 175.574 174.700 0.015 0.000 1.071 2931 T CA 2.027 64.136 62.100 0.016 0.000 1.132 2931 T CB -0.162 68.717 68.868 0.019 0.000 0.878 2931 T HN 0.666 nan 8.240 nan 0.000 0.479 2932 T N -0.172 114.392 114.554 0.017 0.000 2.853 2932 T HA 0.280 4.630 4.350 0.000 0.000 0.311 2932 T C 0.604 175.297 174.700 -0.012 0.000 1.307 2932 T CA -0.746 61.359 62.100 0.009 0.000 1.019 2932 T CB 2.550 71.441 68.868 0.038 0.000 1.264 2932 T HN -0.081 nan 8.240 nan 0.000 0.497 2933 E N 0.799 120.955 120.200 -0.073 0.000 2.086 2933 E HA -0.256 4.094 4.350 0.000 0.000 0.200 2933 E C 1.543 178.061 176.600 -0.136 0.000 1.012 2933 E CA 2.053 58.367 56.400 -0.144 0.000 0.812 2933 E CB -0.127 29.418 29.700 -0.258 0.000 0.743 2933 E HN 0.626 nan 8.360 nan 0.000 0.453 2934 H N -0.936 118.137 119.070 0.004 0.000 2.495 2934 H HA 0.014 4.570 4.556 0.000 0.000 0.287 2934 H C 2.122 177.452 175.328 0.004 0.000 1.033 2934 H CA 1.212 57.261 56.048 0.003 0.000 1.307 2934 H CB -0.009 29.754 29.762 0.002 0.000 1.401 2934 H HN 0.120 nan 8.280 nan 0.000 0.555 2935 V N 2.033 122.013 119.914 0.109 0.000 2.283 2935 V HA -0.211 3.909 4.120 0.000 0.000 0.243 2935 V C 2.673 178.793 176.094 0.043 0.000 1.039 2935 V CA 1.744 64.083 62.300 0.064 0.000 1.016 2935 V CB -0.570 31.280 31.823 0.046 0.000 0.650 2935 V HN 0.408 nan 8.190 nan 0.000 0.449 2936 I N -1.017 119.568 120.570 0.026 0.000 2.614 2936 I HA -0.161 4.009 4.170 0.000 0.000 0.258 2936 I C 2.256 178.382 176.117 0.016 0.000 1.189 2936 I CA 1.904 63.213 61.300 0.015 0.000 1.462 2936 I CB -0.519 37.483 38.000 0.003 0.000 1.092 2936 I HN 0.427 nan 8.210 nan 0.000 0.442 2937 E N 1.863 122.078 120.200 0.025 0.000 2.047 2937 E HA -0.293 4.057 4.350 0.000 0.000 0.191 2937 E C 2.210 178.834 176.600 0.040 0.000 0.987 2937 E CA 1.386 57.807 56.400 0.035 0.000 0.799 2937 E CB -0.100 29.642 29.700 0.069 0.000 0.752 2937 E HN 0.681 nan 8.360 nan 0.000 0.449 2938 E N -0.173 120.056 120.200 0.049 0.000 2.106 2938 E HA -0.146 4.204 4.350 0.000 0.000 0.192 2938 E C 2.069 178.684 176.600 0.025 0.000 0.984 2938 E CA 1.092 57.514 56.400 0.036 0.000 0.806 2938 E CB 0.245 29.968 29.700 0.037 0.000 0.750 2938 E HN 0.168 nan 8.360 nan 0.000 0.458 2939 V N 1.037 120.965 119.914 0.024 0.000 2.379 2939 V HA -0.209 3.912 4.120 0.000 0.000 0.245 2939 V C 2.427 178.529 176.094 0.013 0.000 1.044 2939 V CA 1.629 63.941 62.300 0.018 0.000 1.036 2939 V CB -0.652 31.182 31.823 0.018 0.000 0.664 2939 V HN 0.408 nan 8.190 nan 0.000 0.453 2940 A N 0.549 123.376 122.820 0.011 0.000 1.908 2940 A HA -0.292 4.028 4.320 0.000 0.000 0.218 2940 A C 2.304 179.891 177.584 0.005 0.000 1.181 2940 A CA 2.370 54.410 52.037 0.005 0.000 0.627 2940 A CB -0.537 18.464 19.000 0.002 0.000 0.818 2940 A HN 0.481 nan 8.150 nan 0.000 0.445 2941 R N 0.083 120.589 120.500 0.010 0.000 2.075 2941 R HA 0.009 4.350 4.340 0.000 0.000 0.232 2941 R C 2.152 178.457 176.300 0.008 0.000 1.126 2941 R CA 1.921 58.026 56.100 0.009 0.000 0.963 2941 R CB -0.842 29.465 30.300 0.012 0.000 0.858 2941 R HN 0.377 nan 8.270 nan 0.000 0.435 2942 A N 0.200 123.026 122.820 0.011 0.000 1.877 2942 A HA -0.122 4.198 4.320 0.000 0.000 0.216 2942 A C 2.240 179.829 177.584 0.008 0.000 1.186 2942 A CA 1.982 54.026 52.037 0.011 0.000 0.620 2942 A CB -0.952 18.057 19.000 0.015 0.000 0.822 2942 A HN 0.332 nan 8.150 nan 0.000 0.443 2943 V N -2.322 117.596 119.914 0.007 0.000 2.871 2943 V HA -0.130 3.990 4.120 0.000 0.000 0.256 2943 V C 1.926 178.021 176.094 0.001 0.000 1.082 2943 V CA 2.059 64.361 62.300 0.004 0.000 1.105 2943 V CB -0.709 31.116 31.823 0.003 0.000 0.713 2943 V HN 0.543 nan 8.190 nan 0.000 0.473 2944 D N 1.525 121.925 120.400 0.000 0.000 2.123 2944 D HA -0.258 4.382 4.640 0.000 0.000 0.196 2944 D C 1.602 177.901 176.300 -0.001 0.000 0.992 2944 D CA 2.261 56.260 54.000 -0.002 0.000 0.833 2944 D CB -0.068 40.731 40.800 -0.002 0.000 0.954 2944 D HN 0.612 nan 8.370 nan 0.000 0.455 2945 D N -0.034 120.367 120.400 0.002 0.000 2.149 2945 D HA -0.017 4.624 4.640 0.000 0.000 0.201 2945 D C 2.013 178.314 176.300 0.003 0.000 0.972 2945 D CA 1.202 55.204 54.000 0.003 0.000 0.835 2945 D CB -0.239 40.563 40.800 0.005 0.000 0.966 2945 D HN 0.239 nan 8.370 nan 0.000 0.476 2946 A N 0.408 123.230 122.820 0.004 0.000 1.933 2946 A HA -0.144 4.176 4.320 0.000 0.000 0.218 2946 A C 2.335 179.919 177.584 0.001 0.000 1.175 2946 A CA 1.065 53.104 52.037 0.004 0.000 0.628 2946 A CB -0.789 18.214 19.000 0.004 0.000 0.814 2946 A HN 0.149 nan 8.150 nan 0.000 0.444 2947 V N -0.074 119.839 119.914 -0.001 0.000 2.343 2947 V HA -0.183 3.937 4.120 0.000 0.000 0.247 2947 V C 2.806 178.898 176.094 -0.003 0.000 1.051 2947 V CA 1.889 64.187 62.300 -0.004 0.000 1.036 2947 V CB -1.437 30.382 31.823 -0.007 0.000 0.654 2947 V HN 0.618 nan 8.190 nan 0.000 0.451 2948 G N 0.548 109.347 108.800 -0.002 0.000 2.446 2948 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 2948 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 2948 G C 1.694 176.594 174.900 0.000 0.000 1.168 2948 G CA 1.672 46.772 45.100 -0.001 0.000 0.771 2948 G HN 0.604 nan 8.290 nan 0.000 0.551 2949 V N -1.723 118.192 119.914 0.001 0.000 2.788 2949 V HA 0.069 4.189 4.120 0.000 0.000 0.251 2949 V C 2.566 178.662 176.094 0.002 0.000 1.068 2949 V CA 1.170 63.471 62.300 0.003 0.000 1.090 2949 V CB -0.181 31.644 31.823 0.004 0.000 0.710 2949 V HN 0.123 nan 8.190 nan 0.000 0.467 2950 V N 1.846 121.761 119.914 0.001 0.000 2.719 2950 V HA 0.077 4.197 4.120 0.000 0.000 0.252 2950 V C 2.783 178.877 176.094 -0.000 0.000 1.065 2950 V CA 1.857 64.158 62.300 0.001 0.000 1.086 2950 V CB -0.818 31.004 31.823 -0.001 0.000 0.700 2950 V HN 0.616 nan 8.190 nan 0.000 0.467 2951 G N -1.236 107.564 108.800 -0.001 0.000 2.421 2951 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 2951 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 2951 G C 1.682 176.582 174.900 0.000 0.000 1.143 2951 G CA 1.156 46.255 45.100 -0.001 0.000 0.784 2951 G HN 0.527 nan 8.290 nan 0.000 0.541 2952 C N 0.620 119.920 119.300 0.001 0.000 2.429 2952 C HA -0.013 4.447 4.460 0.000 0.000 0.277 2952 C C 3.184 178.175 174.990 0.002 0.000 1.262 2952 C CA 1.514 60.533 59.018 0.002 0.000 1.733 2952 C CB -0.922 26.820 27.740 0.002 0.000 2.010 2952 C HN 0.414 nan 8.230 nan 0.000 0.483 2953 T N 1.031 115.586 114.554 0.003 0.000 2.915 2953 T HA -0.004 4.346 4.350 0.000 0.000 0.269 2953 T C 1.574 176.276 174.700 0.003 0.000 1.071 2953 T CA 1.060 63.162 62.100 0.003 0.000 1.132 2953 T CB -0.191 68.678 68.868 0.003 0.000 0.878 2953 T HN 0.504 nan 8.240 nan 0.000 0.479 2954 I N 0.526 121.097 120.570 0.003 0.000 2.333 2954 I HA -0.039 4.131 4.170 0.000 0.000 0.246 2954 I C 2.548 178.667 176.117 0.003 0.000 1.106 2954 I CA 1.115 62.417 61.300 0.003 0.000 1.411 2954 I CB -0.161 37.840 38.000 0.003 0.000 1.082 2954 I HN 0.244 nan 8.210 nan 0.000 0.420 2955 E N -0.078 120.123 120.200 0.003 0.000 2.072 2955 E HA -0.142 4.208 4.350 0.000 0.000 0.190 2955 E C 0.508 177.110 176.600 0.003 0.000 0.982 2955 E CA 0.720 57.122 56.400 0.003 0.000 0.803 2955 E CB 0.244 29.946 29.700 0.003 0.000 0.755 2955 E HN 0.191 nan 8.360 nan 0.000 0.453 2956 D N -0.583 119.818 120.400 0.003 0.000 2.454 2956 D HA 0.126 4.766 4.640 0.000 0.000 0.247 2956 D C -0.077 176.225 176.300 0.003 0.000 1.129 2956 D CA -0.301 53.701 54.000 0.003 0.000 0.877 2956 D CB 1.347 42.149 40.800 0.003 0.000 1.082 2956 D HN 0.088 nan 8.370 nan 0.000 0.537 2957 G N 3.210 112.012 108.800 0.003 0.000 3.332 2957 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 2957 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 2957 G C 0.476 175.378 174.900 0.004 0.000 1.276 2957 G CA -0.179 44.923 45.100 0.003 0.000 0.988 2957 G HN 0.204 nan 8.290 nan 0.000 0.517 2958 R N -0.342 120.160 120.500 0.004 0.000 2.562 2958 R HA 0.658 4.998 4.340 0.000 0.000 0.298 2958 R C -0.319 175.984 176.300 0.005 0.000 0.961 2958 R CA -0.639 55.464 56.100 0.005 0.000 0.881 2958 R CB 1.659 31.962 30.300 0.004 0.000 1.159 2958 R HN 0.294 nan 8.270 nan 0.000 0.450 2959 I N -0.918 119.656 120.570 0.007 0.000 3.145 2959 I HA 0.859 5.029 4.170 0.000 0.000 0.313 2959 I C -0.668 175.455 176.117 0.010 0.000 1.122 2959 I CA -1.254 60.050 61.300 0.008 0.000 0.987 2959 I CB 2.249 40.254 38.000 0.008 0.000 1.236 2959 I HN 0.336 nan 8.210 nan 0.000 0.453 2960 V N -0.255 119.666 119.914 0.013 0.000 3.049 2960 V HA 0.826 4.946 4.120 0.000 0.000 0.309 2960 V C 0.018 176.124 176.094 0.021 0.000 1.148 2960 V CA -0.380 61.931 62.300 0.017 0.000 0.990 2960 V CB 1.023 32.857 31.823 0.018 0.000 1.039 2960 V HN 1.178 nan 8.190 nan 0.000 0.430 2961 S N 1.952 117.669 115.700 0.028 0.000 2.576 2961 S HA 0.705 5.175 4.470 0.000 0.000 0.276 2961 S C 0.573 175.192 174.600 0.031 0.000 1.339 2961 S CA 0.177 58.397 58.200 0.032 0.000 1.039 2961 S CB 1.014 64.239 63.200 0.041 0.000 0.902 2961 S HN 1.826 nan 8.310 nan 0.000 0.516 2962 G N 0.146 108.965 108.800 0.031 0.000 2.630 2962 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 2962 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 2962 G C 0.925 175.842 174.900 0.028 0.000 1.434 2962 G CA -0.513 44.603 45.100 0.027 0.000 1.057 2962 G HN 2.055 nan 8.290 nan 0.000 0.570 2963 G N -2.050 106.765 108.800 0.025 0.000 2.153 2963 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 2963 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 2963 G C 1.525 176.423 174.900 -0.003 0.000 0.994 2963 G CA 1.156 46.268 45.100 0.020 0.000 0.698 2963 G HN 2.470 nan 8.290 nan 0.000 0.521 2964 G N -1.158 107.632 108.800 -0.017 0.000 2.168 2964 G HA2 -0.142 3.818 3.960 0.000 0.000 0.263 2964 G HA3 -0.142 3.818 3.960 0.000 0.000 0.263 2964 G C 1.500 176.357 174.900 -0.073 0.000 0.977 2964 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 2964 G HN 1.982 nan 8.290 nan 0.000 0.533 2965 S N 0.087 115.763 115.700 -0.040 0.000 2.382 2965 S HA -0.160 4.310 4.470 0.000 0.000 0.228 2965 S C 2.799 177.336 174.600 -0.105 0.000 1.027 2965 S CA 2.657 60.822 58.200 -0.059 0.000 0.991 2965 S CB -0.593 62.679 63.200 0.120 0.000 0.823 2965 S HN 1.378 nan 8.310 nan 0.000 0.469 2966 T N 0.136 114.674 114.554 -0.027 0.000 2.569 2966 T HA -0.125 4.225 4.350 0.000 0.000 0.263 2966 T C 1.569 176.230 174.700 -0.066 0.000 1.074 2966 T CA 1.678 63.770 62.100 -0.014 0.000 1.176 2966 T CB -1.071 67.794 68.868 -0.004 0.000 0.863 2966 T HN 0.375 nan 8.240 nan 0.000 0.410 2967 E N 0.860 121.012 120.200 -0.080 0.000 2.219 2967 E HA -0.052 4.298 4.350 0.000 0.000 0.198 2967 E C 2.215 178.738 176.600 -0.128 0.000 0.998 2967 E CA 0.739 57.084 56.400 -0.092 0.000 0.818 2967 E CB -0.728 28.915 29.700 -0.096 0.000 0.741 2967 E HN 0.457 nan 8.360 nan 0.000 0.477 2968 V N 0.378 120.162 119.914 -0.216 0.000 2.453 2968 V HA -0.218 3.902 4.120 0.000 0.000 0.247 2968 V C 2.259 178.181 176.094 -0.286 0.000 1.048 2968 V CA 1.824 63.938 62.300 -0.309 0.000 1.049 2968 V CB -0.364 31.144 31.823 -0.524 0.000 0.672 2968 V HN 0.223 nan 8.190 nan 0.000 0.457 2969 E N 0.517 120.555 120.200 -0.270 0.000 2.051 2969 E HA -0.204 4.146 4.350 0.000 0.000 0.192 2969 E C 1.881 178.500 176.600 0.032 0.000 0.991 2969 E CA 1.448 57.883 56.400 0.059 0.000 0.799 2969 E CB -0.324 29.496 29.700 0.201 0.000 0.748 2969 E HN 0.368 nan 8.360 nan 0.000 0.449 2970 L N 0.356 121.577 121.223 -0.003 0.000 2.093 2970 L HA -0.051 4.289 4.340 0.000 0.000 0.208 2970 L C 2.409 179.292 176.870 0.022 0.000 1.085 2970 L CA 1.511 56.359 54.840 0.013 0.000 0.755 2970 L CB -0.876 41.189 42.059 0.010 0.000 0.904 2970 L HN 0.062 nan 8.230 nan 0.000 0.435 2971 S N -1.096 114.599 115.700 -0.009 0.000 2.356 2971 S HA -0.169 4.301 4.470 0.000 0.000 0.223 2971 S C 1.983 176.601 174.600 0.029 0.000 1.032 2971 S CA 1.226 59.427 58.200 0.001 0.000 1.005 2971 S CB -0.182 62.995 63.200 -0.037 0.000 0.867 2971 S HN 0.292 nan 8.310 nan 0.000 0.449 2972 M N 0.993 120.609 119.600 0.027 0.000 2.099 2972 M HA 0.008 4.488 4.480 0.000 0.000 0.262 2972 M C 1.996 178.335 176.300 0.064 0.000 1.067 2972 M CA 1.502 56.831 55.300 0.048 0.000 1.124 2972 M CB -1.166 31.472 32.600 0.064 0.000 1.353 2972 M HN 0.054 nan 8.290 nan 0.000 0.410 2973 K N 0.392 120.831 120.400 0.064 0.000 2.155 2973 K HA 0.073 4.393 4.320 0.000 0.000 0.203 2973 K C 1.960 178.621 176.600 0.101 0.000 1.052 2973 K CA 0.750 57.079 56.287 0.071 0.000 0.948 2973 K CB -0.429 32.100 32.500 0.048 0.000 0.728 2973 K HN 0.268 nan 8.250 nan 0.000 0.448 2974 L N -0.138 121.144 121.223 0.098 0.000 2.240 2974 L HA -0.057 4.283 4.340 0.000 0.000 0.211 2974 L C 2.114 179.095 176.870 0.185 0.000 1.106 2974 L CA 0.851 55.783 54.840 0.153 0.000 0.793 2974 L CB -0.171 41.978 42.059 0.150 0.000 0.927 2974 L HN 0.113 nan 8.230 nan 0.000 0.446 2975 R N 0.140 120.715 120.500 0.125 0.000 2.092 2975 R HA -0.148 4.192 4.340 0.000 0.000 0.231 2975 R C 2.046 178.402 176.300 0.093 0.000 1.119 2975 R CA 1.238 57.398 56.100 0.099 0.000 0.970 2975 R CB -0.171 30.170 30.300 0.068 0.000 0.864 2975 R HN 0.449 nan 8.270 nan 0.000 0.440 2976 E N -0.368 119.893 120.200 0.102 0.000 2.107 2976 E HA -0.200 4.150 4.350 0.000 0.000 0.191 2976 E C 1.581 178.249 176.600 0.113 0.000 0.982 2976 E CA 0.861 57.315 56.400 0.091 0.000 0.809 2976 E CB -0.100 29.651 29.700 0.086 0.000 0.756 2976 E HN 0.299 nan 8.360 nan 0.000 0.459 2977 Y N 1.382 121.694 120.300 0.021 0.000 2.181 2977 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 2977 Y C 2.210 178.119 175.900 0.014 0.000 1.146 2977 Y CA 1.303 59.411 58.100 0.014 0.000 1.164 2977 Y CB -0.395 38.071 38.460 0.010 0.000 0.982 2977 Y HN -0.010 nan 8.280 nan 0.000 0.515 2978 A N -0.138 122.704 122.820 0.037 0.000 1.902 2978 A HA -0.226 4.095 4.320 0.000 0.000 0.217 2978 A C 2.103 179.647 177.584 -0.067 0.000 1.181 2978 A CA 1.887 53.908 52.037 -0.026 0.000 0.623 2978 A CB -0.791 18.245 19.000 0.061 0.000 0.818 2978 A HN 0.502 nan 8.150 nan 0.000 0.443 2979 E N -0.051 120.129 120.200 -0.033 0.000 2.110 2979 E HA -0.076 4.274 4.350 0.000 0.000 0.193 2979 E C 1.932 178.491 176.600 -0.068 0.000 0.988 2979 E CA 1.497 57.877 56.400 -0.032 0.000 0.804 2979 E CB -0.655 29.041 29.700 -0.005 0.000 0.745 2979 E HN 0.444 nan 8.360 nan 0.000 0.458 2980 G N 0.320 109.052 108.800 -0.113 0.000 2.421 2980 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 2980 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 2980 G C 1.432 176.220 174.900 -0.187 0.000 1.143 2980 G CA 0.614 45.630 45.100 -0.140 0.000 0.784 2980 G HN 0.201 nan 8.290 nan 0.000 0.541 2981 I N 0.368 120.779 120.570 -0.265 0.000 2.193 2981 I HA 0.005 4.175 4.170 0.000 0.000 0.240 2981 I C 1.704 177.748 176.117 -0.121 0.000 1.084 2981 I CA 1.085 62.244 61.300 -0.234 0.000 1.365 2981 I CB -1.091 36.744 38.000 -0.275 0.000 1.064 2981 I HN 0.298 nan 8.210 nan 0.000 0.410 2982 S N -1.237 114.409 115.700 -0.090 0.000 3.443 2982 S HA -0.116 4.354 4.470 0.000 0.000 0.635 2982 S C 0.765 175.343 174.600 -0.037 0.000 2.555 2982 S CA 1.444 59.613 58.200 -0.051 0.000 2.778 2982 S CB -1.357 61.816 63.200 -0.046 0.000 0.331 2982 S HN 1.428 nan 8.310 nan 0.000 1.765 2983 G N 1.143 109.928 108.800 -0.025 0.000 2.566 2983 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 2983 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 2983 G C 0.349 175.245 174.900 -0.007 0.000 1.225 2983 G CA 1.672 46.762 45.100 -0.017 0.000 0.966 2983 G HN 1.869 nan 8.290 nan 0.000 0.560 2984 R N 0.422 120.921 120.500 -0.003 0.000 2.223 2984 R HA 0.321 4.662 4.340 0.000 0.000 0.198 2984 R C 2.043 178.351 176.300 0.013 0.000 0.984 2984 R CA 1.361 57.465 56.100 0.008 0.000 1.018 2984 R CB -0.209 30.099 30.300 0.012 0.000 0.945 2984 R HN 0.640 nan 8.270 nan 0.000 0.479 2985 E N 2.086 122.288 120.200 0.003 0.000 2.204 2985 E HA -0.258 4.093 4.350 0.000 0.000 0.195 2985 E C 1.984 178.597 176.600 0.022 0.000 0.990 2985 E CA 1.616 58.021 56.400 0.008 0.000 0.821 2985 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 2985 E HN 0.654 nan 8.360 nan 0.000 0.477 2986 Q N 0.841 120.645 119.800 0.007 0.000 2.124 2986 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 2986 Q C 2.246 178.280 176.000 0.056 0.000 0.977 2986 Q CA 1.090 56.901 55.803 0.013 0.000 0.850 2986 Q CB -0.318 28.416 28.738 -0.006 0.000 0.901 2986 Q HN 0.223 nan 8.270 nan 0.000 0.429 2987 L N 1.211 122.467 121.223 0.056 0.000 2.083 2987 L HA -0.051 4.289 4.340 0.000 0.000 0.209 2987 L C 2.428 179.376 176.870 0.129 0.000 1.083 2987 L CA 2.027 56.913 54.840 0.076 0.000 0.752 2987 L CB -0.859 41.234 42.059 0.056 0.000 0.899 2987 L HN 0.338 nan 8.230 nan 0.000 0.433 2988 A N -1.346 121.558 122.820 0.141 0.000 1.902 2988 A HA -0.134 4.186 4.320 0.000 0.000 0.217 2988 A C 2.228 180.039 177.584 0.378 0.000 1.181 2988 A CA 1.928 54.119 52.037 0.256 0.000 0.623 2988 A CB -0.975 18.110 19.000 0.141 0.000 0.818 2988 A HN 0.290 nan 8.150 nan 0.000 0.443 2989 V N -0.124 119.934 119.914 0.238 0.000 2.453 2989 V HA -0.213 3.907 4.120 0.000 0.000 0.247 2989 V C 2.582 178.811 176.094 0.224 0.000 1.048 2989 V CA 1.999 64.435 62.300 0.227 0.000 1.049 2989 V CB -0.813 31.118 31.823 0.180 0.000 0.672 2989 V HN 0.508 nan 8.190 nan 0.000 0.457 2990 R N 0.385 120.985 120.500 0.168 0.000 2.081 2990 R HA -0.087 4.253 4.340 0.000 0.000 0.235 2990 R C 2.444 178.821 176.300 0.128 0.000 1.131 2990 R CA 1.492 57.669 56.100 0.128 0.000 0.960 2990 R CB -0.566 29.788 30.300 0.089 0.000 0.856 2990 R HN 0.520 nan 8.270 nan 0.000 0.436 2991 A N 0.564 123.481 122.820 0.163 0.000 1.930 2991 A HA -0.161 4.159 4.320 0.000 0.000 0.217 2991 A C 1.941 179.578 177.584 0.088 0.000 1.175 2991 A CA 0.888 53.011 52.037 0.144 0.000 0.627 2991 A CB -0.557 18.573 19.000 0.216 0.000 0.815 2991 A HN 0.341 nan 8.150 nan 0.000 0.443 2992 F N 0.916 120.836 119.950 -0.051 0.000 2.102 2992 F HA -0.087 4.440 4.527 0.000 0.000 0.298 2992 F C 2.537 178.253 175.800 -0.141 0.000 1.105 2992 F CA 1.334 59.176 58.000 -0.264 0.000 1.239 2992 F CB -0.264 38.550 39.000 -0.311 0.000 0.991 2992 F HN 0.255 nan 8.300 nan 0.000 0.474 2993 A N -0.159 122.754 122.820 0.155 0.000 1.877 2993 A HA -0.198 4.122 4.320 0.000 0.000 0.216 2993 A C 1.933 179.498 177.584 -0.031 0.000 1.186 2993 A CA 2.028 54.112 52.037 0.077 0.000 0.620 2993 A CB -0.981 18.088 19.000 0.116 0.000 0.822 2993 A HN 0.419 nan 8.150 nan 0.000 0.443 2994 D N -0.112 120.275 120.400 -0.021 0.000 2.178 2994 D HA 0.025 4.665 4.640 0.000 0.000 0.202 2994 D C 2.155 178.402 176.300 -0.089 0.000 0.974 2994 D CA 1.262 55.239 54.000 -0.039 0.000 0.841 2994 D CB -0.328 40.467 40.800 -0.008 0.000 0.953 2994 D HN 0.418 nan 8.370 nan 0.000 0.478 2995 A N 0.427 123.158 122.820 -0.148 0.000 1.972 2995 A HA -0.126 4.194 4.320 0.000 0.000 0.219 2995 A C 1.994 179.440 177.584 -0.230 0.000 1.169 2995 A CA 0.772 52.687 52.037 -0.204 0.000 0.635 2995 A CB -0.499 18.316 19.000 -0.308 0.000 0.810 2995 A HN 0.151 nan 8.150 nan 0.000 0.446 2996 L N 0.364 121.428 121.223 -0.265 0.000 2.353 2996 L HA -0.110 4.230 4.340 0.000 0.000 0.220 2996 L C 2.001 178.786 176.870 -0.143 0.000 1.133 2996 L CA 1.338 56.045 54.840 -0.222 0.000 0.798 2996 L CB -0.583 41.354 42.059 -0.204 0.000 0.922 2996 L HN 0.393 nan 8.230 nan 0.000 0.445 2997 E N -1.013 119.117 120.200 -0.117 0.000 2.409 2997 E HA -0.136 4.214 4.350 0.000 0.000 0.198 2997 E C 2.337 178.889 176.600 -0.081 0.000 1.024 2997 E CA 0.664 57.011 56.400 -0.088 0.000 0.861 2997 E CB -0.402 29.257 29.700 -0.068 0.000 0.788 2997 E HN 0.352 nan 8.360 nan 0.000 0.521 2998 V N 1.284 121.143 119.914 -0.092 0.000 2.568 2998 V HA -0.231 3.889 4.120 0.000 0.000 0.253 2998 V C 1.890 177.941 176.094 -0.070 0.000 1.072 2998 V CA 1.024 63.277 62.300 -0.077 0.000 1.084 2998 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 2998 V HN 0.127 nan 8.190 nan 0.000 0.469 2999 I N 1.363 121.887 120.570 -0.077 0.000 2.133 2999 I HA -0.051 4.119 4.170 0.000 0.000 0.238 2999 I C 0.228 176.310 176.117 -0.058 0.000 1.074 2999 I CA 1.789 63.049 61.300 -0.067 0.000 1.342 2999 I CB -2.911 35.048 38.000 -0.070 0.000 1.053 2999 I HN 0.348 nan 8.210 nan 0.000 0.404 3000 P HA -0.145 nan 4.420 nan 0.000 0.221 3000 P C 1.750 179.022 177.300 -0.047 0.000 1.150 3000 P CA 1.389 64.459 63.100 -0.051 0.000 0.800 3000 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 3001 R N -0.054 120.417 120.500 -0.049 0.000 2.066 3001 R HA -0.050 4.290 4.340 0.000 0.000 0.232 3001 R C 1.979 178.253 176.300 -0.043 0.000 1.131 3001 R CA 1.916 57.990 56.100 -0.043 0.000 0.955 3001 R CB -0.691 29.583 30.300 -0.043 0.000 0.851 3001 R HN 0.052 nan 8.270 nan 0.000 0.432 3002 T N 1.330 115.856 114.554 -0.047 0.000 2.942 3002 T HA 0.016 4.366 4.350 0.000 0.000 0.265 3002 T C 1.774 176.444 174.700 -0.050 0.000 1.062 3002 T CA 0.760 62.833 62.100 -0.046 0.000 1.139 3002 T CB -0.015 68.825 68.868 -0.046 0.000 0.883 3002 T HN 0.142 nan 8.240 nan 0.000 0.468 3003 L N 0.919 122.110 121.223 -0.054 0.000 2.042 3003 L HA -0.136 4.204 4.340 0.000 0.000 0.210 3003 L C 3.003 179.832 176.870 -0.067 0.000 1.076 3003 L CA 1.385 56.187 54.840 -0.063 0.000 0.749 3003 L CB -0.614 41.409 42.059 -0.060 0.000 0.893 3003 L HN 0.250 nan 8.230 nan 0.000 0.432 3004 A N -0.510 122.277 122.820 -0.055 0.000 1.929 3004 A HA -0.184 4.136 4.320 0.000 0.000 0.216 3004 A C 2.169 179.724 177.584 -0.049 0.000 1.176 3004 A CA 1.333 53.339 52.037 -0.051 0.000 0.628 3004 A CB -0.358 18.618 19.000 -0.040 0.000 0.816 3004 A HN 0.415 nan 8.150 nan 0.000 0.444 3005 E N 0.037 120.210 120.200 -0.044 0.000 2.058 3005 E HA -0.194 4.157 4.350 0.000 0.000 0.194 3005 E C 1.644 178.218 176.600 -0.044 0.000 0.997 3005 E CA 1.297 57.674 56.400 -0.040 0.000 0.801 3005 E CB -0.173 29.506 29.700 -0.036 0.000 0.746 3005 E HN 0.530 nan 8.360 nan 0.000 0.450 3006 N N 0.287 118.956 118.700 -0.052 0.000 2.244 3006 N HA -0.085 4.655 4.740 0.000 0.000 0.183 3006 N C 1.451 176.918 175.510 -0.071 0.000 1.016 3006 N CA 1.059 54.075 53.050 -0.058 0.000 0.866 3006 N CB -0.134 38.316 38.487 -0.062 0.000 0.980 3006 N HN 0.109 nan 8.380 nan 0.000 0.430 3007 A N -0.022 122.749 122.820 -0.082 0.000 2.067 3007 A HA 0.320 4.640 4.320 0.000 0.000 0.217 3007 A C 1.464 179.008 177.584 -0.066 0.000 1.156 3007 A CA 1.060 53.040 52.037 -0.096 0.000 0.683 3007 A CB -0.413 18.519 19.000 -0.114 0.000 0.808 3007 A HN 0.310 nan 8.150 nan 0.000 0.455 3008 G N -1.148 107.621 108.800 -0.051 0.000 2.171 3008 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 3008 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 3008 G C -0.060 174.821 174.900 -0.031 0.000 1.039 3008 G CA 0.318 45.396 45.100 -0.037 0.000 0.759 3008 G HN 0.447 nan 8.290 nan 0.000 0.501 3009 L N -0.092 121.110 121.223 -0.034 0.000 2.375 3009 L HA 0.484 4.824 4.340 0.000 0.000 0.268 3009 L C 0.477 177.334 176.870 -0.023 0.000 1.058 3009 L CA -1.075 53.749 54.840 -0.027 0.000 0.803 3009 L CB 0.931 42.972 42.059 -0.031 0.000 1.212 3009 L HN 0.112 nan 8.230 nan 0.000 0.451 3010 D N 1.054 121.444 120.400 -0.017 0.000 2.342 3010 D HA 0.118 4.758 4.640 0.000 0.000 0.260 3010 D C 0.739 177.030 176.300 -0.016 0.000 1.278 3010 D CA 0.118 54.109 54.000 -0.014 0.000 0.910 3010 D CB 1.732 42.526 40.800 -0.010 0.000 1.079 3010 D HN 0.632 nan 8.370 nan 0.000 0.496 3011 A N 5.460 128.269 122.820 -0.018 0.000 1.908 3011 A HA -0.196 4.124 4.320 0.000 0.000 0.218 3011 A C 2.158 179.732 177.584 -0.016 0.000 1.181 3011 A CA 0.864 52.889 52.037 -0.020 0.000 0.627 3011 A CB -0.269 18.717 19.000 -0.022 0.000 0.818 3011 A HN 0.704 nan 8.150 nan 0.000 0.445 3012 I N -0.164 120.398 120.570 -0.013 0.000 2.179 3012 I HA -0.212 3.958 4.170 0.000 0.000 0.242 3012 I C 2.452 178.564 176.117 -0.007 0.000 1.088 3012 I CA 1.867 63.161 61.300 -0.010 0.000 1.357 3012 I CB -1.462 36.533 38.000 -0.007 0.000 1.051 3012 I HN 0.601 nan 8.210 nan 0.000 0.409 3013 E N 1.485 121.681 120.200 -0.006 0.000 2.051 3013 E HA -0.229 4.121 4.350 0.000 0.000 0.192 3013 E C 2.342 178.941 176.600 -0.002 0.000 0.991 3013 E CA 1.801 58.199 56.400 -0.003 0.000 0.799 3013 E CB -0.110 29.588 29.700 -0.003 0.000 0.748 3013 E HN 0.610 nan 8.360 nan 0.000 0.449 3014 I N -1.415 119.152 120.570 -0.005 0.000 2.439 3014 I HA -0.163 4.007 4.170 0.000 0.000 0.251 3014 I C 2.226 178.339 176.117 -0.006 0.000 1.139 3014 I CA 0.874 62.171 61.300 -0.005 0.000 1.438 3014 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 3014 I HN 0.073 nan 8.210 nan 0.000 0.427 3015 L N 0.779 121.996 121.223 -0.010 0.000 2.093 3015 L HA -0.110 4.230 4.340 0.000 0.000 0.208 3015 L C 2.681 179.548 176.870 -0.005 0.000 1.085 3015 L CA 0.809 55.641 54.840 -0.013 0.000 0.755 3015 L CB -0.404 41.645 42.059 -0.017 0.000 0.904 3015 L HN 0.168 nan 8.230 nan 0.000 0.435 3016 V N -0.267 119.647 119.914 -0.001 0.000 2.323 3016 V HA -0.231 3.889 4.120 0.000 0.000 0.244 3016 V C 2.377 178.478 176.094 0.012 0.000 1.041 3016 V CA 1.650 63.953 62.300 0.005 0.000 1.025 3016 V CB -0.381 31.445 31.823 0.005 0.000 0.656 3016 V HN 0.384 nan 8.190 nan 0.000 0.451 3017 K N -0.369 120.038 120.400 0.011 0.000 2.103 3017 K HA -0.047 4.273 4.320 0.000 0.000 0.204 3017 K C 2.046 178.662 176.600 0.027 0.000 1.052 3017 K CA 1.004 57.301 56.287 0.017 0.000 0.945 3017 K CB -0.186 32.322 32.500 0.013 0.000 0.722 3017 K HN 0.292 nan 8.250 nan 0.000 0.443 3018 V N 1.185 121.113 119.914 0.023 0.000 2.323 3018 V HA -0.175 3.945 4.120 0.000 0.000 0.244 3018 V C 2.356 178.484 176.094 0.057 0.000 1.041 3018 V CA 1.460 63.781 62.300 0.035 0.000 1.025 3018 V CB -0.394 31.436 31.823 0.012 0.000 0.656 3018 V HN 0.270 nan 8.190 nan 0.000 0.451 3019 R N 0.093 120.611 120.500 0.030 0.000 2.081 3019 R HA -0.164 4.176 4.340 0.000 0.000 0.235 3019 R C 2.292 178.640 176.300 0.080 0.000 1.131 3019 R CA 1.720 57.842 56.100 0.037 0.000 0.960 3019 R CB -0.411 29.894 30.300 0.009 0.000 0.856 3019 R HN 0.500 nan 8.270 nan 0.000 0.436 3020 A N 0.495 123.348 122.820 0.055 0.000 1.873 3020 A HA -0.050 4.270 4.320 0.000 0.000 0.215 3020 A C 2.316 179.933 177.584 0.054 0.000 1.186 3020 A CA 1.538 53.605 52.037 0.049 0.000 0.616 3020 A CB -0.755 18.264 19.000 0.031 0.000 0.823 3020 A HN 0.506 nan 8.150 nan 0.000 0.442 3021 A N -0.984 121.870 122.820 0.056 0.000 1.933 3021 A HA -0.149 4.171 4.320 0.000 0.000 0.218 3021 A C 1.984 179.600 177.584 0.053 0.000 1.175 3021 A CA 2.073 54.137 52.037 0.046 0.000 0.628 3021 A CB -0.848 18.177 19.000 0.042 0.000 0.814 3021 A HN 0.806 nan 8.150 nan 0.000 0.444 3022 H N -0.113 118.960 119.070 0.005 0.000 2.293 3022 H HA 0.049 4.605 4.556 0.000 0.000 0.300 3022 H C 2.180 177.511 175.328 0.005 0.000 1.082 3022 H CA 2.063 58.114 56.048 0.005 0.000 1.308 3022 H CB -0.246 29.518 29.762 0.004 0.000 1.375 3022 H HN 0.367 nan 8.280 nan 0.000 0.495 3023 A N -0.541 122.335 122.820 0.094 0.000 1.940 3023 A HA -0.187 4.133 4.320 0.000 0.000 0.219 3023 A C 2.582 180.147 177.584 -0.032 0.000 1.176 3023 A CA 2.009 54.073 52.037 0.045 0.000 0.631 3023 A CB -1.065 17.987 19.000 0.088 0.000 0.814 3023 A HN 0.529 nan 8.150 nan 0.000 0.446 3024 S N -0.492 115.194 115.700 -0.024 0.000 2.341 3024 S HA -0.087 4.383 4.470 0.000 0.000 0.216 3024 S C 1.859 176.428 174.600 -0.051 0.000 1.034 3024 S CA 1.062 59.246 58.200 -0.027 0.000 0.964 3024 S CB -0.405 62.790 63.200 -0.008 0.000 0.882 3024 S HN 0.598 nan 8.310 nan 0.000 0.469 3025 N N 1.160 119.825 118.700 -0.058 0.000 2.396 3025 N HA 0.215 4.955 4.740 0.000 0.000 0.180 3025 N C 1.074 176.522 175.510 -0.103 0.000 1.028 3025 N CA 1.000 54.013 53.050 -0.062 0.000 0.893 3025 N CB -0.072 38.392 38.487 -0.038 0.000 0.967 3025 N HN 0.623 nan 8.380 nan 0.000 0.440 3026 G N 0.362 109.042 108.800 -0.200 0.000 2.396 3026 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 3026 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 3026 G C 0.013 174.670 174.900 -0.406 0.000 1.248 3026 G CA 0.041 44.981 45.100 -0.268 0.000 1.033 3026 G HN 0.252 nan 8.290 nan 0.000 0.502 3027 N N -0.479 118.080 118.700 -0.234 0.000 2.414 3027 N HA 0.028 4.768 4.740 0.000 0.000 0.177 3027 N C 1.503 177.018 175.510 0.008 0.000 1.062 3027 N CA 0.753 53.767 53.050 -0.060 0.000 0.890 3027 N CB 0.037 38.555 38.487 0.052 0.000 1.070 3027 N HN 0.296 nan 8.380 nan 0.000 0.454 3028 K N 0.004 120.392 120.400 -0.019 0.000 2.404 3028 K HA 0.156 4.476 4.320 0.000 0.000 0.194 3028 K C -0.249 176.348 176.600 -0.005 0.000 1.023 3028 K CA 0.064 56.349 56.287 -0.003 0.000 1.094 3028 K CB 0.034 32.530 32.500 -0.007 0.000 0.841 3028 K HN 0.093 nan 8.250 nan 0.000 0.523 3029 C N 0.159 119.450 119.300 -0.015 0.000 3.517 3029 C HA 0.820 5.280 4.460 0.000 0.000 0.202 3029 C C -0.263 174.727 174.990 0.000 0.000 1.370 3029 C CA -0.168 58.845 59.018 -0.009 0.000 1.308 3029 C CB -1.398 26.327 27.740 -0.024 0.000 1.840 3029 C HN 0.450 nan 8.230 nan 0.000 0.525 3030 A N 1.291 124.134 122.820 0.037 0.000 5.650 3030 A HA 0.955 5.275 4.320 0.000 0.000 0.194 3030 A C 0.426 178.058 177.584 0.080 0.000 0.895 3030 A CA 0.472 52.554 52.037 0.075 0.000 0.804 3030 A CB -0.379 18.711 19.000 0.151 0.000 2.103 3030 A HN 2.341 nan 8.150 nan 0.000 1.022 3031 G N -1.865 106.997 108.800 0.104 0.000 2.846 3031 G HA2 0.342 4.302 3.960 0.000 0.000 0.660 3031 G HA3 0.342 4.302 3.960 0.000 0.000 0.660 3031 G C -0.625 174.303 174.900 0.045 0.000 1.464 3031 G CA 0.043 45.181 45.100 0.064 0.000 0.891 3031 G HN 2.104 nan 8.290 nan 0.000 0.552 3032 L N 0.920 122.160 121.223 0.029 0.000 2.289 3032 L HA 0.620 4.960 4.340 0.000 0.000 0.285 3032 L C 0.522 177.414 176.870 0.037 0.000 1.049 3032 L CA -0.771 54.083 54.840 0.023 0.000 0.804 3032 L CB 1.402 43.462 42.059 0.001 0.000 1.195 3032 L HN 0.731 nan 8.230 nan 0.000 0.428 3033 N N 4.065 122.796 118.700 0.051 0.000 2.485 3033 N HA 0.125 4.865 4.740 0.000 0.000 0.243 3033 N C 0.907 176.452 175.510 0.058 0.000 0.987 3033 N CA -0.154 52.952 53.050 0.094 0.000 0.940 3033 N CB 1.403 39.960 38.487 0.117 0.000 1.122 3033 N HN 0.713 nan 8.380 nan 0.000 0.509 3034 V N 2.083 121.991 119.914 -0.010 0.000 2.970 3034 V HA -0.041 4.079 4.120 0.000 0.000 0.260 3034 V C 1.411 177.401 176.094 -0.173 0.000 1.100 3034 V CA 1.013 63.232 62.300 -0.135 0.000 1.122 3034 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 3034 V HN 0.475 nan 8.190 nan 0.000 0.483 3035 F N 2.473 122.422 119.950 -0.002 0.000 2.259 3035 F HA -0.021 4.506 4.527 0.000 0.000 0.298 3035 F C 2.660 178.459 175.800 -0.001 0.000 1.088 3035 F CA 1.780 59.779 58.000 -0.002 0.000 1.358 3035 F CB -0.335 38.664 39.000 -0.001 0.000 1.040 3035 F HN 0.377 nan 8.300 nan 0.000 0.505 3036 T N -4.102 110.554 114.554 0.170 0.000 3.001 3036 T HA 0.375 4.725 4.350 0.000 0.000 0.251 3036 T C 1.483 176.211 174.700 0.048 0.000 1.040 3036 T CA 0.415 62.570 62.100 0.092 0.000 0.985 3036 T CB 0.325 69.239 68.868 0.076 0.000 1.011 3036 T HN 0.343 nan 8.240 nan 0.000 0.509 3037 G N 1.099 109.919 108.800 0.033 0.000 2.248 3037 G HA2 0.273 4.234 3.960 0.000 0.000 0.263 3037 G HA3 0.273 4.234 3.960 0.000 0.000 0.263 3037 G C 0.060 174.966 174.900 0.010 0.000 1.082 3037 G CA -0.226 44.877 45.100 0.005 0.000 0.863 3037 G HN 1.424 nan 8.290 nan 0.000 0.495 3038 A N -1.661 121.171 122.820 0.020 0.000 2.608 3038 A HA 0.880 5.201 4.320 0.000 0.000 0.292 3038 A C 0.034 177.634 177.584 0.026 0.000 1.066 3038 A CA 0.129 52.178 52.037 0.019 0.000 0.676 3038 A CB 1.389 20.401 19.000 0.021 0.000 1.277 3038 A HN 1.802 nan 8.150 nan 0.000 0.413 3039 V N 1.669 121.597 119.914 0.023 0.000 2.673 3039 V HA 0.407 4.527 4.120 0.000 0.000 0.303 3039 V C 0.020 176.133 176.094 0.032 0.000 1.046 3039 V CA 1.024 63.342 62.300 0.029 0.000 1.126 3039 V CB 0.444 32.285 31.823 0.029 0.000 0.934 3039 V HN 0.914 nan 8.190 nan 0.000 0.487 3040 E N 3.825 124.048 120.200 0.038 0.000 2.359 3040 E HA 0.372 4.722 4.350 0.000 0.000 0.223 3040 E C -1.476 175.145 176.600 0.035 0.000 0.877 3040 E CA -0.654 55.767 56.400 0.035 0.000 0.887 3040 E CB 0.828 30.553 29.700 0.041 0.000 1.890 3040 E HN 0.707 nan 8.360 nan 0.000 0.419 3041 D N 1.235 121.653 120.400 0.029 0.000 2.472 3041 D HA 0.193 4.833 4.640 0.000 0.000 0.234 3041 D C 0.832 177.149 176.300 0.028 0.000 1.088 3041 D CA -0.274 53.742 54.000 0.025 0.000 0.882 3041 D CB 0.580 41.389 40.800 0.015 0.000 1.037 3041 D HN 0.186 nan 8.370 nan 0.000 0.520 3042 M N 1.749 121.371 119.600 0.037 0.000 2.117 3042 M HA -0.142 4.338 4.480 0.000 0.000 0.262 3042 M C 2.310 178.626 176.300 0.027 0.000 1.065 3042 M CA 0.818 56.142 55.300 0.039 0.000 1.114 3042 M CB -1.158 31.470 32.600 0.047 0.000 1.361 3042 M HN 0.549 nan 8.290 nan 0.000 0.408 3043 C N 0.603 119.917 119.300 0.023 0.000 2.432 3043 C HA -0.185 4.275 4.460 0.000 0.000 0.277 3043 C C 2.732 177.726 174.990 0.008 0.000 1.249 3043 C CA 1.621 60.648 59.018 0.015 0.000 1.725 3043 C CB -0.871 26.877 27.740 0.013 0.000 2.028 3043 C HN 0.600 nan 8.230 nan 0.000 0.477 3044 E N 1.120 121.324 120.200 0.007 0.000 2.110 3044 E HA -0.139 4.211 4.350 0.000 0.000 0.193 3044 E C 1.609 178.207 176.600 -0.002 0.000 0.988 3044 E CA 1.567 57.968 56.400 0.001 0.000 0.804 3044 E CB -0.420 29.281 29.700 0.002 0.000 0.745 3044 E HN 0.624 nan 8.360 nan 0.000 0.458 3045 N N -0.335 118.365 118.700 0.000 0.000 2.461 3045 N HA 0.055 4.795 4.740 0.000 0.000 0.188 3045 N C 0.623 176.124 175.510 -0.015 0.000 1.134 3045 N CA 0.944 53.989 53.050 -0.009 0.000 0.878 3045 N CB 0.553 39.039 38.487 -0.002 0.000 0.972 3045 N HN 0.319 nan 8.380 nan 0.000 0.456 3046 G N -0.083 108.713 108.800 -0.006 0.000 2.153 3046 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 3046 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 3046 G C -0.050 174.851 174.900 0.001 0.000 0.994 3046 G CA 0.183 45.279 45.100 -0.006 0.000 0.698 3046 G HN 0.207 nan 8.290 nan 0.000 0.521 3047 V N 1.464 121.386 119.914 0.013 0.000 2.222 3047 V HA 0.487 4.607 4.120 0.000 0.000 0.253 3047 V C 0.787 176.898 176.094 0.028 0.000 1.210 3047 V CA 0.121 62.438 62.300 0.030 0.000 1.079 3047 V CB 0.461 32.315 31.823 0.052 0.000 1.265 3047 V HN 1.046 nan 8.190 nan 0.000 0.494 3048 V N 1.563 121.490 119.914 0.021 0.000 2.876 3048 V HA 0.900 5.020 4.120 0.000 0.000 0.312 3048 V C -0.631 175.473 176.094 0.017 0.000 1.085 3048 V CA -0.712 61.600 62.300 0.019 0.000 0.945 3048 V CB 2.490 34.321 31.823 0.014 0.000 1.017 3048 V HN 0.657 nan 8.190 nan 0.000 0.428 3049 E N 2.366 122.575 120.200 0.015 0.000 2.336 3049 E HA 0.654 5.004 4.350 0.000 0.000 0.267 3049 E C -3.233 173.372 176.600 0.010 0.000 0.906 3049 E CA -2.432 53.975 56.400 0.012 0.000 0.781 3049 E CB 2.090 31.797 29.700 0.012 0.000 1.261 3049 E HN 0.464 nan 8.360 nan 0.000 0.436 3050 P HA -0.027 nan 4.420 nan 0.000 0.266 3050 P C 0.892 178.196 177.300 0.006 0.000 1.195 3050 P CA -0.303 62.801 63.100 0.006 0.000 0.768 3050 P CB 0.444 32.147 31.700 0.005 0.000 0.838 3051 L N 4.029 125.255 121.223 0.006 0.000 2.079 3051 L HA -0.205 4.135 4.340 0.000 0.000 0.210 3051 L C 2.088 178.961 176.870 0.004 0.000 1.081 3051 L CA 1.947 56.790 54.840 0.006 0.000 0.752 3051 L CB -0.617 41.445 42.059 0.005 0.000 0.896 3051 L HN 0.242 nan 8.230 nan 0.000 0.433 3052 R N -0.531 119.971 120.500 0.004 0.000 2.117 3052 R HA -0.130 4.210 4.340 0.000 0.000 0.243 3052 R C 2.231 178.533 176.300 0.003 0.000 1.143 3052 R CA 1.560 57.662 56.100 0.004 0.000 0.968 3052 R CB -1.367 28.935 30.300 0.003 0.000 0.863 3052 R HN 0.389 nan 8.270 nan 0.000 0.444 3053 V N 1.653 121.569 119.914 0.003 0.000 2.287 3053 V HA -0.239 3.881 4.120 0.000 0.000 0.248 3053 V C 2.393 178.487 176.094 -0.001 0.000 1.053 3053 V CA 1.754 64.055 62.300 0.001 0.000 1.027 3053 V CB -0.300 31.524 31.823 0.002 0.000 0.646 3053 V HN 0.212 nan 8.190 nan 0.000 0.447 3054 K N -0.716 119.684 120.400 -0.000 0.000 2.137 3054 K HA -0.038 4.282 4.320 0.000 0.000 0.202 3054 K C 2.291 178.892 176.600 0.001 0.000 1.052 3054 K CA 1.500 57.786 56.287 -0.002 0.000 0.961 3054 K CB -0.665 31.834 32.500 -0.002 0.000 0.741 3054 K HN 0.458 nan 8.250 nan 0.000 0.452 3055 T N 0.715 115.272 114.554 0.004 0.000 2.942 3055 T HA -0.119 4.231 4.350 0.000 0.000 0.265 3055 T C 1.824 176.529 174.700 0.009 0.000 1.062 3055 T CA 1.207 63.312 62.100 0.007 0.000 1.139 3055 T CB 0.174 69.045 68.868 0.006 0.000 0.883 3055 T HN 0.071 nan 8.240 nan 0.000 0.468 3056 Q N 0.638 120.442 119.800 0.007 0.000 2.137 3056 Q HA 0.317 4.657 4.340 0.000 0.000 0.198 3056 Q C 2.210 178.214 176.000 0.008 0.000 0.960 3056 Q CA 1.534 57.341 55.803 0.008 0.000 0.847 3056 Q CB -0.687 28.054 28.738 0.005 0.000 0.915 3056 Q HN 0.514 nan 8.270 nan 0.000 0.448 3057 A N 0.747 123.568 122.820 0.003 0.000 1.865 3057 A HA -0.160 4.160 4.320 0.000 0.000 0.217 3057 A C 1.932 179.518 177.584 0.004 0.000 1.191 3057 A CA 1.626 53.662 52.037 -0.002 0.000 0.623 3057 A CB -0.761 18.232 19.000 -0.011 0.000 0.826 3057 A HN 0.450 nan 8.150 nan 0.000 0.444 3058 I N -0.243 120.334 120.570 0.011 0.000 2.315 3058 I HA -0.190 3.980 4.170 0.000 0.000 0.248 3058 I C 2.658 178.807 176.117 0.053 0.000 1.117 3058 I CA 1.196 62.518 61.300 0.037 0.000 1.404 3058 I CB -1.355 36.674 38.000 0.048 0.000 1.071 3058 I HN 0.396 nan 8.210 nan 0.000 0.419 3059 Q N 0.537 120.358 119.800 0.035 0.000 1.965 3059 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 3059 Q C 2.485 178.507 176.000 0.037 0.000 0.981 3059 Q CA 1.764 57.587 55.803 0.033 0.000 0.834 3059 Q CB -0.426 28.325 28.738 0.021 0.000 0.900 3059 Q HN 0.372 nan 8.270 nan 0.000 0.426 3060 S N 0.986 116.702 115.700 0.027 0.000 2.368 3060 S HA -0.117 4.354 4.470 0.000 0.000 0.225 3060 S C 1.951 176.571 174.600 0.033 0.000 1.030 3060 S CA 1.050 59.266 58.200 0.026 0.000 0.999 3060 S CB -0.235 62.975 63.200 0.017 0.000 0.844 3060 S HN 0.492 nan 8.310 nan 0.000 0.459 3061 A N 1.566 124.404 122.820 0.031 0.000 1.873 3061 A HA 0.136 4.456 4.320 0.000 0.000 0.215 3061 A C 2.362 179.986 177.584 0.066 0.000 1.186 3061 A CA 1.678 53.734 52.037 0.032 0.000 0.616 3061 A CB -1.118 17.886 19.000 0.006 0.000 0.823 3061 A HN 0.509 nan 8.150 nan 0.000 0.442 3062 A N -0.617 122.260 122.820 0.096 0.000 1.902 3062 A HA -0.131 4.189 4.320 0.000 0.000 0.217 3062 A C 1.991 179.657 177.584 0.137 0.000 1.181 3062 A CA 1.707 53.842 52.037 0.163 0.000 0.623 3062 A CB -0.375 18.736 19.000 0.186 0.000 0.818 3062 A HN 0.449 nan 8.150 nan 0.000 0.443 3063 E N -0.501 119.753 120.200 0.089 0.000 2.072 3063 E HA -0.088 4.262 4.350 0.000 0.000 0.190 3063 E C 2.310 178.949 176.600 0.065 0.000 0.982 3063 E CA 1.235 57.677 56.400 0.070 0.000 0.803 3063 E CB -0.489 29.240 29.700 0.047 0.000 0.755 3063 E HN 0.519 nan 8.360 nan 0.000 0.453 3064 S N -0.115 115.619 115.700 0.058 0.000 2.387 3064 S HA -0.083 4.387 4.470 0.000 0.000 0.226 3064 S C 1.998 176.633 174.600 0.059 0.000 1.026 3064 S CA 1.432 59.661 58.200 0.048 0.000 0.972 3064 S CB -0.107 63.115 63.200 0.036 0.000 0.814 3064 S HN 0.194 nan 8.310 nan 0.000 0.477 3065 T N 1.506 116.109 114.554 0.082 0.000 2.708 3065 T HA -0.094 4.256 4.350 0.000 0.000 0.266 3065 T C 1.750 176.533 174.700 0.137 0.000 1.037 3065 T CA 1.581 63.747 62.100 0.111 0.000 1.146 3065 T CB -0.371 68.581 68.868 0.141 0.000 0.865 3065 T HN 0.578 nan 8.240 nan 0.000 0.435 3066 E N 0.519 120.815 120.200 0.159 0.000 2.106 3066 E HA -0.113 4.237 4.350 0.000 0.000 0.192 3066 E C 2.216 178.854 176.600 0.064 0.000 0.984 3066 E CA 0.783 57.261 56.400 0.131 0.000 0.806 3066 E CB -0.183 29.600 29.700 0.139 0.000 0.750 3066 E HN 0.471 nan 8.360 nan 0.000 0.458 3067 M N 0.192 119.826 119.600 0.057 0.000 2.086 3067 M HA -0.196 4.284 4.480 0.000 0.000 0.261 3067 M C 1.791 178.106 176.300 0.025 0.000 1.067 3067 M CA 1.236 56.557 55.300 0.035 0.000 1.116 3067 M CB -0.005 32.615 32.600 0.033 0.000 1.348 3067 M HN 0.186 nan 8.290 nan 0.000 0.407 3068 L N 0.792 122.032 121.223 0.029 0.000 2.042 3068 L HA -0.173 4.167 4.340 0.000 0.000 0.210 3068 L C 2.239 179.113 176.870 0.006 0.000 1.076 3068 L CA 1.750 56.599 54.840 0.016 0.000 0.749 3068 L CB -1.071 41.000 42.059 0.020 0.000 0.893 3068 L HN 0.401 nan 8.230 nan 0.000 0.432 3069 L N -1.468 119.763 121.223 0.013 0.000 2.201 3069 L HA -0.153 4.187 4.340 0.000 0.000 0.212 3069 L C 2.481 179.337 176.870 -0.023 0.000 1.105 3069 L CA 0.743 55.575 54.840 -0.014 0.000 0.775 3069 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 3069 L HN 0.214 nan 8.230 nan 0.000 0.440 3070 R N -0.075 120.421 120.500 -0.006 0.000 2.193 3070 R HA 0.102 4.442 4.340 0.000 0.000 0.213 3070 R C 0.536 176.835 176.300 -0.003 0.000 1.055 3070 R CA 0.317 56.415 56.100 -0.003 0.000 0.995 3070 R CB -0.042 30.263 30.300 0.008 0.000 0.893 3070 R HN 0.254 nan 8.270 nan 0.000 0.459 3071 I N 2.578 123.146 120.570 -0.003 0.000 2.471 3071 I HA -0.047 4.123 4.170 0.000 0.000 0.286 3071 I C 0.408 176.520 176.117 -0.009 0.000 1.079 3071 I CA 0.050 61.349 61.300 -0.003 0.000 1.398 3071 I CB 0.992 38.990 38.000 -0.003 0.000 1.403 3071 I HN 0.135 nan 8.210 nan 0.000 0.530 3072 D N 2.998 123.396 120.400 -0.003 0.000 2.503 3072 D HA 0.128 4.768 4.640 0.000 0.000 0.218 3072 D C -0.287 176.019 176.300 0.011 0.000 1.183 3072 D CA -0.040 53.956 54.000 -0.005 0.000 0.827 3072 D CB 0.387 41.180 40.800 -0.012 0.000 1.034 3072 D HN 0.354 nan 8.370 nan 0.000 0.510 3073 D N 0.058 120.471 120.400 0.022 0.000 2.688 3073 D HA 0.248 4.888 4.640 0.000 0.000 0.210 3073 D C -1.711 174.620 176.300 0.051 0.000 1.333 3073 D CA -0.471 53.552 54.000 0.039 0.000 0.920 3073 D CB 1.932 42.747 40.800 0.025 0.000 1.554 3073 D HN -0.170 nan 8.370 nan 0.000 0.579 3074 V N 4.266 124.238 119.914 0.096 0.000 2.444 3074 V HA 0.556 4.677 4.120 0.000 0.000 0.294 3074 V C -0.122 176.058 176.094 0.143 0.000 1.022 3074 V CA -0.668 61.703 62.300 0.118 0.000 0.850 3074 V CB 1.481 33.381 31.823 0.130 0.000 0.992 3074 V HN 0.431 nan 8.190 nan 0.000 0.426 3075 I N 4.574 125.198 120.570 0.089 0.000 2.390 3075 I HA 0.772 4.942 4.170 0.000 0.000 0.283 3075 I C 0.291 176.448 176.117 0.066 0.000 1.016 3075 I CA -0.054 61.282 61.300 0.060 0.000 1.151 3075 I CB 1.632 39.650 38.000 0.031 0.000 1.293 3075 I HN 0.684 nan 8.210 nan 0.000 0.458 3076 A N 4.343 127.210 122.820 0.079 0.000 2.401 3076 A HA 0.949 5.269 4.320 0.000 0.000 0.310 3076 A C -0.060 177.555 177.584 0.052 0.000 1.075 3076 A CA -0.683 51.403 52.037 0.082 0.000 0.746 3076 A CB 1.244 20.327 19.000 0.138 0.000 1.277 3076 A HN 0.748 nan 8.150 nan 0.000 0.425 3077 A N 0.744 123.591 122.820 0.044 0.000 2.448 3077 A HA 0.428 4.748 4.320 0.000 0.000 0.239 3077 A C 0.844 178.448 177.584 0.032 0.000 1.080 3077 A CA 0.014 52.068 52.037 0.029 0.000 0.779 3077 A CB -0.016 19.000 19.000 0.026 0.000 1.026 3077 A HN 0.923 nan 8.150 nan 0.000 0.499 3078 E N 0.000 120.211 120.200 0.019 0.000 2.725 3078 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3078 E CA 0.000 56.411 56.400 0.018 0.000 0.976 3078 E CB 0.000 29.705 29.700 0.008 0.000 0.812 3078 E HN 0.000 nan 8.360 nan 0.000 0.440