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 3izi_1_L DATA FIRST_RESID 5644 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 5644 V HA 0.000 nan 4.120 nan 0.000 0.244 5644 V C 0.000 176.094 176.094 0.000 0.000 1.182 5644 V CA 0.000 62.300 62.300 0.000 0.000 1.235 5644 V CB 0.000 31.825 31.823 0.003 0.000 1.184 5645 L N 3.836 125.058 121.223 -0.002 0.000 2.334 5645 L HA 0.625 4.965 4.340 -0.001 0.000 0.277 5645 L C -2.016 174.850 176.870 -0.006 0.000 1.075 5645 L CA -1.444 53.394 54.840 -0.003 0.000 0.804 5645 L CB 0.254 42.309 42.059 -0.007 0.000 1.174 5645 L HN 0.169 nan 8.230 nan 0.000 0.438 5646 P HA 0.067 nan 4.420 nan 0.000 0.272 5646 P C -0.636 176.659 177.300 -0.010 0.000 1.223 5646 P CA -0.571 62.526 63.100 -0.006 0.000 0.784 5646 P CB 0.579 32.276 31.700 -0.004 0.000 0.923 5647 E N 1.882 122.077 120.200 -0.010 0.000 2.415 5647 E HA -0.042 4.308 4.350 -0.001 0.000 0.260 5647 E C 0.627 177.220 176.600 -0.013 0.000 1.016 5647 E CA 0.811 57.203 56.400 -0.012 0.000 0.924 5647 E CB -0.438 29.256 29.700 -0.010 0.000 0.961 5647 E HN 0.610 nan 8.360 nan 0.000 0.459 5648 N N 2.356 121.046 118.700 -0.017 0.000 2.990 5648 N HA -0.200 4.540 4.740 -0.001 0.000 0.163 5648 N C -0.634 174.865 175.510 -0.019 0.000 1.452 5648 N CA 0.872 53.912 53.050 -0.017 0.000 1.624 5648 N CB -1.140 37.341 38.487 -0.011 0.000 1.088 5648 N HN 0.483 nan 8.380 nan 0.000 0.695 5649 M N 2.608 122.197 119.600 -0.017 0.000 2.238 5649 M HA 0.259 4.739 4.480 -0.001 0.000 0.350 5649 M C -0.419 175.859 176.300 -0.037 0.000 1.321 5649 M CA 0.494 55.785 55.300 -0.015 0.000 1.097 5649 M CB 0.557 33.153 32.600 -0.007 0.000 1.713 5649 M HN 0.055 nan 8.290 nan 0.000 0.455 5650 K N 4.211 124.587 120.400 -0.040 0.000 2.143 5650 K HA 0.512 4.832 4.320 -0.001 0.000 0.272 5650 K C -0.640 175.871 176.600 -0.150 0.000 1.001 5650 K CA -0.664 55.545 56.287 -0.130 0.000 0.915 5650 K CB 1.422 33.841 32.500 -0.135 0.000 1.047 5650 K HN 0.635 nan 8.250 nan 0.000 0.458 5651 R N 2.450 122.778 120.500 -0.287 0.000 2.628 5651 R HA 0.320 4.660 4.340 -0.001 0.000 0.288 5651 R C -1.601 174.484 176.300 -0.360 0.000 0.980 5651 R CA -0.587 55.399 56.100 -0.191 0.000 0.891 5651 R CB 0.949 31.200 30.300 -0.083 0.000 1.188 5651 R HN 0.534 nan 8.270 nan 0.000 0.450 5652 Y N 4.574 124.885 120.300 0.018 0.000 2.446 5652 Y HA 0.547 5.096 4.550 -0.001 0.000 0.345 5652 Y C 0.262 176.168 175.900 0.010 0.000 0.984 5652 Y CA -0.893 57.217 58.100 0.016 0.000 1.058 5652 Y CB 2.209 40.684 38.460 0.024 0.000 1.220 5652 Y HN 0.404 nan 8.280 nan 0.000 0.455 5653 M N 1.103 120.787 119.600 0.140 0.000 2.534 5653 M HA 0.754 5.234 4.480 -0.001 0.000 0.280 5653 M C 0.041 176.375 176.300 0.057 0.000 1.217 5653 M CA -0.203 55.144 55.300 0.078 0.000 0.893 5653 M CB 1.311 33.936 32.600 0.042 0.000 1.730 5653 M HN 0.846 nan 8.290 nan 0.000 0.483 5654 G N 3.038 111.858 108.800 0.034 0.000 2.629 5654 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.313 5654 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.313 5654 G C 0.510 175.416 174.900 0.010 0.000 1.217 5654 G CA 1.522 46.628 45.100 0.010 0.000 0.994 5654 G HN 1.172 nan 8.290 nan 0.000 0.549 5655 R N 1.028 121.531 120.500 0.005 0.000 2.159 5655 R HA -0.004 4.335 4.340 -0.001 0.000 0.237 5655 R C 2.130 178.448 176.300 0.031 0.000 1.131 5655 R CA 2.631 58.734 56.100 0.005 0.000 0.982 5655 R CB -0.622 29.678 30.300 0.001 0.000 0.868 5655 R HN 0.603 nan 8.270 nan 0.000 0.453 5656 D N -0.422 120.018 120.400 0.067 0.000 2.162 5656 D HA -0.012 4.628 4.640 -0.001 0.000 0.203 5656 D C 1.620 178.016 176.300 0.161 0.000 0.967 5656 D CA 1.380 55.464 54.000 0.141 0.000 0.840 5656 D CB -0.140 40.773 40.800 0.187 0.000 0.972 5656 D HN 0.354 nan 8.370 nan 0.000 0.482 5657 A N 1.095 123.995 122.820 0.133 0.000 1.930 5657 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 5657 A C 2.146 179.723 177.584 -0.012 0.000 1.175 5657 A CA 1.154 53.242 52.037 0.085 0.000 0.627 5657 A CB -0.235 18.817 19.000 0.086 0.000 0.815 5657 A HN 0.064 nan 8.150 nan 0.000 0.443 5658 Q N -0.704 119.093 119.800 -0.006 0.000 2.062 5658 Q HA -0.098 4.241 4.340 -0.001 0.000 0.196 5658 Q C 2.276 178.250 176.000 -0.043 0.000 0.967 5658 Q CA 1.375 57.162 55.803 -0.026 0.000 0.832 5658 Q CB -0.412 28.312 28.738 -0.022 0.000 0.899 5658 Q HN 0.750 nan 8.270 nan 0.000 0.442 5659 R N 0.297 120.778 120.500 -0.032 0.000 2.083 5659 R HA -0.109 4.230 4.340 -0.001 0.000 0.237 5659 R C 2.285 178.522 176.300 -0.104 0.000 1.137 5659 R CA 1.368 57.442 56.100 -0.044 0.000 0.951 5659 R CB -0.175 30.119 30.300 -0.010 0.000 0.851 5659 R HN 0.184 nan 8.270 nan 0.000 0.434 5660 M N 1.033 120.539 119.600 -0.157 0.000 2.086 5660 M HA -0.162 4.317 4.480 -0.001 0.000 0.261 5660 M C 1.156 177.250 176.300 -0.343 0.000 1.067 5660 M CA 1.813 56.910 55.300 -0.338 0.000 1.116 5660 M CB -0.769 31.399 32.600 -0.720 0.000 1.348 5660 M HN 0.135 nan 8.290 nan 0.000 0.407 5661 N N 0.863 119.425 118.700 -0.230 0.000 2.166 5661 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 5661 N C 1.809 177.235 175.510 -0.141 0.000 1.019 5661 N CA 1.439 54.389 53.050 -0.166 0.000 0.856 5661 N CB -0.463 37.971 38.487 -0.088 0.000 0.993 5661 N HN 0.482 nan 8.380 nan 0.000 0.426 5662 I N 0.131 120.632 120.570 -0.115 0.000 2.315 5662 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 5662 I C 1.609 177.656 176.117 -0.117 0.000 1.117 5662 I CA 0.542 61.791 61.300 -0.084 0.000 1.404 5662 I CB -0.035 37.935 38.000 -0.051 0.000 1.071 5662 I HN 0.019 nan 8.210 nan 0.000 0.419 5663 L N 0.659 121.782 121.223 -0.167 0.000 2.093 5663 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 5663 L C 2.662 179.377 176.870 -0.259 0.000 1.085 5663 L CA 1.969 56.695 54.840 -0.189 0.000 0.755 5663 L CB -1.265 40.673 42.059 -0.201 0.000 0.904 5663 L HN 0.183 nan 8.230 nan 0.000 0.435 5664 A N -0.626 121.956 122.820 -0.397 0.000 1.858 5664 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 5664 A C 2.409 179.899 177.584 -0.157 0.000 1.190 5664 A CA 1.721 53.515 52.037 -0.405 0.000 0.617 5664 A CB -1.341 17.406 19.000 -0.422 0.000 0.827 5664 A HN 0.419 nan 8.150 nan 0.000 0.443 5665 G N -0.927 107.801 108.800 -0.120 0.000 2.408 5665 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 5665 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 5665 G C 1.745 176.609 174.900 -0.060 0.000 1.150 5665 G CA 0.985 46.045 45.100 -0.066 0.000 0.776 5665 G HN 0.551 nan 8.290 nan 0.000 0.542 5666 R N 0.003 120.459 120.500 -0.072 0.000 2.075 5666 R HA 0.065 4.405 4.340 -0.001 0.000 0.232 5666 R C 2.506 178.775 176.300 -0.052 0.000 1.126 5666 R CA 1.040 57.105 56.100 -0.059 0.000 0.963 5666 R CB -0.311 29.954 30.300 -0.058 0.000 0.858 5666 R HN 0.406 nan 8.270 nan 0.000 0.435 5667 I N 0.779 121.313 120.570 -0.060 0.000 2.226 5667 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 5667 I C 2.071 178.172 176.117 -0.026 0.000 1.100 5667 I CA 0.821 62.098 61.300 -0.039 0.000 1.374 5667 I CB -0.189 37.789 38.000 -0.036 0.000 1.057 5667 I HN 0.212 nan 8.210 nan 0.000 0.413 5668 I N 1.065 121.619 120.570 -0.026 0.000 2.179 5668 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 5668 I C 2.831 178.934 176.117 -0.023 0.000 1.088 5668 I CA 1.778 63.067 61.300 -0.017 0.000 1.357 5668 I CB -1.506 36.486 38.000 -0.013 0.000 1.051 5668 I HN 0.186 nan 8.210 nan 0.000 0.409 5669 A N 0.157 122.957 122.820 -0.032 0.000 1.969 5669 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 5669 A C 2.170 179.733 177.584 -0.035 0.000 1.169 5669 A CA 1.175 53.190 52.037 -0.037 0.000 0.635 5669 A CB -0.374 18.600 19.000 -0.045 0.000 0.810 5669 A HN 0.338 nan 8.150 nan 0.000 0.445 5670 E N -0.298 119.882 120.200 -0.033 0.000 2.110 5670 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 5670 E C 2.085 178.670 176.600 -0.025 0.000 0.988 5670 E CA 1.699 58.081 56.400 -0.030 0.000 0.804 5670 E CB -0.610 29.073 29.700 -0.028 0.000 0.745 5670 E HN 0.600 nan 8.360 nan 0.000 0.458 5671 T N 0.742 115.283 114.554 -0.022 0.000 2.770 5671 T HA -0.048 4.302 4.350 -0.001 0.000 0.263 5671 T C 2.121 176.809 174.700 -0.020 0.000 1.039 5671 T CA 0.974 63.063 62.100 -0.018 0.000 1.142 5671 T CB -0.099 68.762 68.868 -0.012 0.000 0.868 5671 T HN -0.036 nan 8.240 nan 0.000 0.435 5672 V N 2.757 122.658 119.914 -0.022 0.000 2.591 5672 V HA -0.112 4.008 4.120 -0.001 0.000 0.249 5672 V C 2.630 178.707 176.094 -0.028 0.000 1.053 5672 V CA 1.501 63.787 62.300 -0.023 0.000 1.068 5672 V CB -0.679 31.131 31.823 -0.023 0.000 0.689 5672 V HN 0.522 nan 8.190 nan 0.000 0.462 5673 R N 1.662 122.142 120.500 -0.033 0.000 2.200 5673 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 5673 R C 2.065 178.343 176.300 -0.037 0.000 1.127 5673 R CA 1.730 57.807 56.100 -0.038 0.000 0.989 5673 R CB -0.884 29.391 30.300 -0.042 0.000 0.869 5673 R HN 0.598 nan 8.270 nan 0.000 0.459 5674 S N 0.288 115.968 115.700 -0.033 0.000 2.555 5674 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 5674 S C 1.699 176.280 174.600 -0.033 0.000 0.978 5674 S CA 0.825 59.006 58.200 -0.033 0.000 0.934 5674 S CB -0.064 63.119 63.200 -0.028 0.000 0.766 5674 S HN 0.588 nan 8.310 nan 0.000 0.533 5675 T N -1.036 113.500 114.554 -0.030 0.000 3.060 5675 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 5675 T C 0.376 175.058 174.700 -0.031 0.000 1.079 5675 T CA -0.496 61.588 62.100 -0.028 0.000 1.013 5675 T CB -0.447 68.408 68.868 -0.021 0.000 0.975 5675 T HN 0.279 nan 8.240 nan 0.000 0.518 5676 L N 2.851 124.052 121.223 -0.036 0.000 2.462 5676 L HA 0.522 4.862 4.340 -0.001 0.000 0.272 5676 L C 0.702 177.544 176.870 -0.048 0.000 1.166 5676 L CA 1.597 56.413 54.840 -0.039 0.000 0.880 5676 L CB -0.669 41.364 42.059 -0.044 0.000 1.142 5676 L HN 0.703 nan 8.230 nan 0.000 0.473 5677 G N 4.045 112.820 108.800 -0.042 0.000 2.663 5677 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.686 5677 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.686 5677 G C -2.115 172.747 174.900 -0.064 0.000 1.288 5677 G CA -0.456 44.612 45.100 -0.055 0.000 0.836 5677 G HN 0.482 nan 8.290 nan 0.000 0.584 5678 P HA -0.009 nan 4.420 nan 0.000 0.219 5678 P C 1.370 178.554 177.300 -0.192 0.000 1.146 5678 P CA 1.479 64.511 63.100 -0.115 0.000 0.808 5678 P CB 0.053 31.605 31.700 -0.247 0.000 0.779 5679 K N -0.781 119.481 120.400 -0.230 0.000 2.437 5679 K HA 0.266 4.586 4.320 -0.001 0.000 0.205 5679 K C 0.931 177.470 176.600 -0.103 0.000 1.026 5679 K CA -0.204 55.974 56.287 -0.181 0.000 1.153 5679 K CB -0.301 32.070 32.500 -0.214 0.000 0.863 5679 K HN 0.016 nan 8.250 nan 0.000 0.502 5680 G N 0.525 109.277 108.800 -0.079 0.000 2.594 5680 G HA2 0.167 4.127 3.960 -0.001 0.000 0.243 5680 G HA3 0.167 4.127 3.960 -0.001 0.000 0.243 5680 G C 0.037 174.913 174.900 -0.040 0.000 1.229 5680 G CA -0.385 44.684 45.100 -0.053 0.000 0.843 5680 G HN -0.020 nan 8.290 nan 0.000 0.578 5681 M N 0.073 119.653 119.600 -0.033 0.000 2.705 5681 M HA 0.401 4.880 4.480 -0.001 0.000 0.272 5681 M C -0.482 175.806 176.300 -0.021 0.000 1.172 5681 M CA -0.576 54.708 55.300 -0.026 0.000 0.901 5681 M CB 1.234 33.818 32.600 -0.027 0.000 1.516 5681 M HN 0.344 nan 8.290 nan 0.000 0.530 5682 D N 0.556 120.945 120.400 -0.019 0.000 2.326 5682 D HA 0.473 5.112 4.640 -0.001 0.000 0.248 5682 D C -0.532 175.757 176.300 -0.019 0.000 1.001 5682 D CA -0.334 53.655 54.000 -0.017 0.000 0.961 5682 D CB 1.269 42.059 40.800 -0.017 0.000 1.183 5682 D HN 0.089 nan 8.370 nan 0.000 0.502 5683 K N 0.776 121.165 120.400 -0.019 0.000 2.259 5683 K HA 0.433 4.752 4.320 -0.001 0.000 0.252 5683 K C -0.579 176.006 176.600 -0.024 0.000 0.936 5683 K CA -0.651 55.625 56.287 -0.019 0.000 0.810 5683 K CB 2.309 34.799 32.500 -0.015 0.000 1.143 5683 K HN 0.427 nan 8.250 nan 0.000 0.427 5684 M N 4.056 123.640 119.600 -0.026 0.000 2.036 5684 M HA 0.262 4.742 4.480 -0.001 0.000 0.337 5684 M C -1.544 174.740 176.300 -0.026 0.000 1.012 5684 M CA -0.923 54.357 55.300 -0.033 0.000 0.962 5684 M CB 0.314 32.893 32.600 -0.036 0.000 1.423 5684 M HN 0.333 nan 8.290 nan 0.000 0.405 5685 L N 5.963 127.171 121.223 -0.025 0.000 2.265 5685 L HA 0.493 4.833 4.340 -0.001 0.000 0.289 5685 L C -0.819 176.041 176.870 -0.016 0.000 1.033 5685 L CA -0.236 54.594 54.840 -0.016 0.000 0.814 5685 L CB 1.666 43.719 42.059 -0.010 0.000 1.203 5685 L HN 0.415 nan 8.230 nan 0.000 0.423 5686 V N 2.955 122.862 119.914 -0.012 0.000 2.384 5686 V HA 0.363 4.483 4.120 -0.001 0.000 0.287 5686 V C -0.199 175.893 176.094 -0.004 0.000 1.020 5686 V CA -0.947 61.347 62.300 -0.010 0.000 0.850 5686 V CB 1.524 33.340 31.823 -0.011 0.000 0.987 5686 V HN 0.790 nan 8.190 nan 0.000 0.436 5687 D N 2.372 122.773 120.400 0.000 0.000 2.447 5687 D HA 0.055 4.695 4.640 -0.001 0.000 0.265 5687 D C 0.888 177.190 176.300 0.002 0.000 1.250 5687 D CA -0.474 53.527 54.000 0.002 0.000 1.046 5687 D CB 0.645 41.448 40.800 0.006 0.000 1.095 5687 D HN 0.428 nan 8.370 nan 0.000 0.555 5688 D N -1.691 118.710 120.400 0.002 0.000 2.219 5688 D HA -0.100 4.540 4.640 -0.001 0.000 0.205 5688 D C 1.494 177.796 176.300 0.003 0.000 0.970 5688 D CA 0.687 54.688 54.000 0.002 0.000 0.851 5688 D CB 0.005 40.806 40.800 0.001 0.000 0.943 5688 D HN 0.193 nan 8.370 nan 0.000 0.488 5689 L N -1.099 120.127 121.223 0.005 0.000 2.558 5689 L HA 0.346 4.686 4.340 -0.001 0.000 0.225 5689 L C 2.043 178.918 176.870 0.008 0.000 1.128 5689 L CA 0.973 55.817 54.840 0.007 0.000 0.868 5689 L CB 0.131 42.195 42.059 0.008 0.000 1.006 5689 L HN 0.276 nan 8.230 nan 0.000 0.454 5690 G N -1.499 107.306 108.800 0.007 0.000 2.213 5690 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 5690 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 5690 G C 0.321 175.227 174.900 0.011 0.000 0.992 5690 G CA 0.113 45.218 45.100 0.007 0.000 0.632 5690 G HN 0.333 nan 8.290 nan 0.000 0.511 5691 D N 0.950 121.360 120.400 0.017 0.000 2.401 5691 D HA 0.415 5.054 4.640 -0.001 0.000 0.254 5691 D C 0.257 176.568 176.300 0.019 0.000 1.192 5691 D CA 0.502 54.519 54.000 0.029 0.000 0.885 5691 D CB 1.317 42.138 40.800 0.034 0.000 1.147 5691 D HN 0.586 nan 8.370 nan 0.000 0.478 5692 V N 4.887 124.808 119.914 0.012 0.000 2.555 5692 V HA 0.607 4.727 4.120 -0.001 0.000 0.302 5692 V C -1.055 175.013 176.094 -0.044 0.000 1.038 5692 V CA -0.638 61.647 62.300 -0.025 0.000 0.887 5692 V CB 1.905 33.695 31.823 -0.055 0.000 0.991 5692 V HN 0.344 nan 8.190 nan 0.000 0.434 5693 V N 6.930 126.821 119.914 -0.038 0.000 2.604 5693 V HA 0.711 4.830 4.120 -0.001 0.000 0.305 5693 V C -0.895 175.167 176.094 -0.053 0.000 1.043 5693 V CA -0.232 62.049 62.300 -0.032 0.000 0.888 5693 V CB 2.272 34.105 31.823 0.016 0.000 0.995 5693 V HN 0.786 nan 8.190 nan 0.000 0.429 5694 V N 5.853 125.727 119.914 -0.067 0.000 2.417 5694 V HA 0.789 4.908 4.120 -0.001 0.000 0.291 5694 V C 0.089 176.172 176.094 -0.018 0.000 1.024 5694 V CA 0.020 62.289 62.300 -0.052 0.000 0.861 5694 V CB 1.595 33.373 31.823 -0.075 0.000 0.985 5694 V HN 1.075 nan 8.190 nan 0.000 0.436 5695 T N 2.594 117.140 114.554 -0.013 0.000 2.769 5695 T HA 0.312 4.662 4.350 -0.001 0.000 0.306 5695 T C 0.071 174.768 174.700 -0.006 0.000 1.400 5695 T CA -0.359 61.740 62.100 -0.003 0.000 1.007 5695 T CB 1.997 70.867 68.868 0.003 0.000 1.392 5695 T HN 0.655 nan 8.240 nan 0.000 0.500 5696 N N 0.799 119.498 118.700 -0.002 0.000 2.210 5696 N HA 0.081 4.821 4.740 -0.001 0.000 0.203 5696 N C -0.314 175.193 175.510 -0.004 0.000 1.175 5696 N CA 0.015 53.062 53.050 -0.005 0.000 0.894 5696 N CB 0.471 38.956 38.487 -0.004 0.000 1.041 5696 N HN 0.693 nan 8.380 nan 0.000 0.506 5697 D N -0.099 120.301 120.400 -0.001 0.000 2.401 5697 D HA 0.186 4.825 4.640 -0.001 0.000 0.254 5697 D C 1.497 177.795 176.300 -0.003 0.000 1.192 5697 D CA 0.292 54.292 54.000 -0.000 0.000 0.885 5697 D CB 1.012 41.815 40.800 0.004 0.000 1.147 5697 D HN 0.269 nan 8.370 nan 0.000 0.478 5698 G N 2.611 111.408 108.800 -0.005 0.000 2.440 5698 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 5698 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 5698 G C 1.513 176.411 174.900 -0.004 0.000 1.154 5698 G CA 0.731 45.827 45.100 -0.007 0.000 0.767 5698 G HN 0.488 nan 8.290 nan 0.000 0.552 5699 V N 0.822 120.735 119.914 -0.002 0.000 2.270 5699 V HA -0.170 3.949 4.120 -0.001 0.000 0.245 5699 V C 3.179 179.274 176.094 0.001 0.000 1.043 5699 V CA 2.382 64.682 62.300 0.000 0.000 1.014 5699 V CB -0.903 30.920 31.823 0.001 0.000 0.645 5699 V HN 0.401 nan 8.190 nan 0.000 0.447 5700 T N 0.389 114.945 114.554 0.002 0.000 2.720 5700 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 5700 T C 1.795 176.496 174.700 0.002 0.000 1.037 5700 T CA 1.949 64.051 62.100 0.004 0.000 1.144 5700 T CB -0.312 68.560 68.868 0.006 0.000 0.864 5700 T HN 0.338 nan 8.240 nan 0.000 0.444 5701 I N 0.249 120.819 120.570 -0.000 0.000 2.179 5701 I HA -0.138 4.032 4.170 -0.001 0.000 0.242 5701 I C 2.114 178.230 176.117 -0.000 0.000 1.088 5701 I CA 1.007 62.306 61.300 -0.002 0.000 1.357 5701 I CB -0.282 37.715 38.000 -0.005 0.000 1.051 5701 I HN 0.156 nan 8.210 nan 0.000 0.409 5702 L N 0.170 121.393 121.223 0.000 0.000 2.156 5702 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 5702 L C 2.492 179.364 176.870 0.003 0.000 1.095 5702 L CA 1.495 56.336 54.840 0.002 0.000 0.770 5702 L CB -0.957 41.103 42.059 0.001 0.000 0.914 5702 L HN 0.151 nan 8.230 nan 0.000 0.439 5703 R N -0.106 120.396 120.500 0.003 0.000 2.066 5703 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 5703 R C 1.924 178.226 176.300 0.004 0.000 1.131 5703 R CA 1.239 57.341 56.100 0.004 0.000 0.955 5703 R CB 0.044 30.346 30.300 0.004 0.000 0.851 5703 R HN 0.320 nan 8.270 nan 0.000 0.432 5704 E N 1.038 121.240 120.200 0.003 0.000 2.112 5704 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 5704 E C 1.207 177.808 176.600 0.002 0.000 0.979 5704 E CA 0.535 56.937 56.400 0.004 0.000 0.814 5704 E CB -0.354 29.349 29.700 0.004 0.000 0.762 5704 E HN 0.462 nan 8.360 nan 0.000 0.460 5705 M N 0.713 120.314 119.600 0.002 0.000 2.252 5705 M HA 0.098 4.578 4.480 -0.001 0.000 0.333 5705 M C 0.208 176.510 176.300 0.002 0.000 1.111 5705 M CA 0.140 55.441 55.300 0.002 0.000 1.140 5705 M CB 0.433 33.035 32.600 0.002 0.000 1.538 5705 M HN -0.230 nan 8.290 nan 0.000 0.448 5706 S N 2.355 118.055 115.700 0.000 0.000 2.955 5706 S HA 0.468 4.938 4.470 -0.001 0.000 0.294 5706 S C -0.254 174.344 174.600 -0.003 0.000 1.198 5706 S CA -1.001 57.197 58.200 -0.002 0.000 1.008 5706 S CB -0.355 62.842 63.200 -0.005 0.000 1.279 5706 S HN 0.570 nan 8.310 nan 0.000 0.508 5707 V N 3.390 123.304 119.914 0.000 0.000 2.686 5707 V HA 0.215 4.334 4.120 -0.001 0.000 0.295 5707 V C 1.394 177.478 176.094 -0.016 0.000 1.055 5707 V CA -0.102 62.201 62.300 0.005 0.000 1.050 5707 V CB 1.270 33.104 31.823 0.018 0.000 0.984 5707 V HN 0.874 nan 8.190 nan 0.000 0.482 5708 E N 1.930 122.103 120.200 -0.044 0.000 2.256 5708 E HA 0.034 4.384 4.350 -0.001 0.000 0.198 5708 E C 0.457 176.967 176.600 -0.150 0.000 0.908 5708 E CA 0.194 56.518 56.400 -0.127 0.000 0.915 5708 E CB 0.298 29.863 29.700 -0.224 0.000 0.890 5708 E HN 0.743 nan 8.360 nan 0.000 0.484 5709 H N 1.673 120.731 119.070 -0.019 0.000 2.848 5709 H HA 0.075 4.631 4.556 -0.000 0.000 0.317 5709 H C -1.676 173.637 175.328 -0.026 0.000 1.046 5709 H CA -1.219 54.807 56.048 -0.036 0.000 1.470 5709 H CB 1.140 30.866 29.762 -0.059 0.000 1.483 5709 H HN 0.082 nan 8.280 nan 0.000 0.548 5710 P HA -0.133 nan 4.420 nan 0.000 0.218 5710 P C 1.334 178.660 177.300 0.042 0.000 1.148 5710 P CA 1.493 64.621 63.100 0.048 0.000 0.822 5710 P CB 0.269 31.993 31.700 0.039 0.000 0.784 5711 A N 0.244 123.090 122.820 0.043 0.000 1.902 5711 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 5711 A C 2.331 179.923 177.584 0.013 0.000 1.181 5711 A CA 2.155 54.198 52.037 0.011 0.000 0.623 5711 A CB -1.602 17.379 19.000 -0.032 0.000 0.818 5711 A HN 0.203 nan 8.150 nan 0.000 0.443 5712 A N -0.281 122.559 122.820 0.033 0.000 1.933 5712 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 5712 A C 2.070 179.669 177.584 0.025 0.000 1.175 5712 A CA 1.731 53.785 52.037 0.028 0.000 0.628 5712 A CB -0.407 18.626 19.000 0.055 0.000 0.814 5712 A HN 0.554 nan 8.150 nan 0.000 0.444 5713 K N -0.994 119.424 120.400 0.031 0.000 2.147 5713 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 5713 K C 1.829 178.439 176.600 0.017 0.000 1.049 5713 K CA 1.326 57.626 56.287 0.021 0.000 0.936 5713 K CB -0.185 32.328 32.500 0.021 0.000 0.722 5713 K HN 0.376 nan 8.250 nan 0.000 0.446 5714 M N 0.344 119.954 119.600 0.017 0.000 2.334 5714 M HA -0.026 4.454 4.480 -0.001 0.000 0.266 5714 M C 2.135 178.443 176.300 0.013 0.000 1.082 5714 M CA 1.026 56.335 55.300 0.015 0.000 1.141 5714 M CB -0.606 32.004 32.600 0.017 0.000 1.380 5714 M HN 0.183 nan 8.290 nan 0.000 0.440 5715 L N 0.336 121.565 121.223 0.010 0.000 2.083 5715 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 5715 L C 2.218 179.090 176.870 0.005 0.000 1.083 5715 L CA 1.040 55.884 54.840 0.006 0.000 0.752 5715 L CB -0.198 41.860 42.059 -0.001 0.000 0.899 5715 L HN 0.181 nan 8.230 nan 0.000 0.433 5716 I N -0.317 120.257 120.570 0.006 0.000 2.335 5716 I HA -0.307 3.862 4.170 -0.001 0.000 0.251 5716 I C 2.368 178.488 176.117 0.005 0.000 1.129 5716 I CA 1.040 62.343 61.300 0.005 0.000 1.402 5716 I CB -0.341 37.663 38.000 0.007 0.000 1.069 5716 I HN 0.306 nan 8.210 nan 0.000 0.424 5717 E N 0.394 120.599 120.200 0.008 0.000 2.204 5717 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 5717 E C 2.401 179.006 176.600 0.007 0.000 0.990 5717 E CA 1.062 57.467 56.400 0.008 0.000 0.821 5717 E CB -0.208 29.498 29.700 0.010 0.000 0.750 5717 E HN 0.384 nan 8.360 nan 0.000 0.477 5718 V N 1.489 121.407 119.914 0.007 0.000 2.307 5718 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 5718 V C 2.480 178.575 176.094 0.002 0.000 1.045 5718 V CA 1.757 64.061 62.300 0.006 0.000 1.024 5718 V CB -0.854 30.972 31.823 0.005 0.000 0.651 5718 V HN 0.241 nan 8.190 nan 0.000 0.449 5719 A N -0.289 122.532 122.820 0.000 0.000 1.940 5719 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 5719 A C 2.295 179.879 177.584 0.001 0.000 1.176 5719 A CA 2.028 54.064 52.037 -0.001 0.000 0.631 5719 A CB -0.415 18.583 19.000 -0.002 0.000 0.814 5719 A HN 0.558 nan 8.150 nan 0.000 0.446 5720 K N -1.607 118.795 120.400 0.002 0.000 2.062 5720 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 5720 K C 2.137 178.739 176.600 0.003 0.000 1.051 5720 K CA 1.533 57.822 56.287 0.003 0.000 0.941 5720 K CB -0.367 32.135 32.500 0.004 0.000 0.719 5720 K HN 0.422 nan 8.250 nan 0.000 0.440 5721 T N 0.776 115.332 114.554 0.004 0.000 2.995 5721 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 5721 T C 1.775 176.477 174.700 0.004 0.000 1.091 5721 T CA 0.810 62.913 62.100 0.004 0.000 1.128 5721 T CB 0.066 68.938 68.868 0.006 0.000 0.891 5721 T HN 0.085 nan 8.240 nan 0.000 0.492 5722 Q N 0.957 120.758 119.800 0.003 0.000 2.020 5722 Q HA -0.046 4.293 4.340 -0.001 0.000 0.202 5722 Q C 2.301 178.302 176.000 0.001 0.000 0.982 5722 Q CA 1.237 57.041 55.803 0.001 0.000 0.838 5722 Q CB -0.485 28.253 28.738 -0.001 0.000 0.899 5722 Q HN 0.538 nan 8.270 nan 0.000 0.423 5723 E N 0.904 121.104 120.200 0.001 0.000 2.106 5723 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 5723 E C 1.720 178.321 176.600 0.002 0.000 0.984 5723 E CA 0.953 57.353 56.400 0.002 0.000 0.806 5723 E CB 0.230 29.930 29.700 0.002 0.000 0.750 5723 E HN 0.282 nan 8.360 nan 0.000 0.458 5724 K N 0.075 120.476 120.400 0.002 0.000 2.076 5724 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 5724 K C 2.155 178.756 176.600 0.002 0.000 1.051 5724 K CA 1.187 57.475 56.287 0.002 0.000 0.949 5724 K CB -0.013 32.488 32.500 0.002 0.000 0.726 5724 K HN -0.088 nan 8.250 nan 0.000 0.443 5725 E N 0.338 120.539 120.200 0.002 0.000 2.086 5725 E HA -0.097 4.253 4.350 -0.001 0.000 0.190 5725 E C 1.594 178.196 176.600 0.002 0.000 0.975 5725 E CA 1.104 57.505 56.400 0.003 0.000 0.813 5725 E CB 0.515 30.217 29.700 0.003 0.000 0.768 5725 E HN 0.161 nan 8.360 nan 0.000 0.457 5726 V N -4.947 114.969 119.914 0.002 0.000 3.497 5726 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 5726 V C 1.389 177.485 176.094 0.003 0.000 1.474 5726 V CA 0.741 63.043 62.300 0.003 0.000 1.025 5726 V CB 0.494 32.318 31.823 0.003 0.000 0.820 5726 V HN 0.304 nan 8.190 nan 0.000 0.437 5727 G N 0.693 109.494 108.800 0.002 0.000 3.586 5727 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.212 5727 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.212 5727 G C 0.203 175.104 174.900 0.002 0.000 1.411 5727 G CA 0.498 45.600 45.100 0.003 0.000 0.898 5727 G HN 0.628 nan 8.290 nan 0.000 0.575 5728 D N 0.803 121.204 120.400 0.003 0.000 2.511 5728 D HA 0.495 5.134 4.640 -0.001 0.000 0.276 5728 D C 1.519 177.818 176.300 -0.001 0.000 1.220 5728 D CA 1.158 55.159 54.000 0.002 0.000 1.077 5728 D CB 0.657 41.459 40.800 0.004 0.000 1.126 5728 D HN 1.595 nan 8.370 nan 0.000 0.583 5729 G N -0.628 108.170 108.800 -0.004 0.000 2.143 5729 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.249 5729 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.249 5729 G C 1.036 175.930 174.900 -0.011 0.000 0.981 5729 G CA 1.481 46.575 45.100 -0.008 0.000 0.665 5729 G HN 0.593 nan 8.290 nan 0.000 0.528 5730 T N -2.058 112.491 114.554 -0.009 0.000 2.588 5730 T HA -0.150 4.200 4.350 -0.001 0.000 0.261 5730 T C 2.202 176.893 174.700 -0.016 0.000 1.069 5730 T CA 2.621 64.715 62.100 -0.010 0.000 1.172 5730 T CB -1.010 67.854 68.868 -0.007 0.000 0.863 5730 T HN 0.342 nan 8.240 nan 0.000 0.408 5731 T N 1.849 116.393 114.554 -0.017 0.000 2.635 5731 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 5731 T C 2.275 176.956 174.700 -0.032 0.000 1.040 5731 T CA 2.090 64.176 62.100 -0.024 0.000 1.156 5731 T CB -1.242 67.612 68.868 -0.024 0.000 0.863 5731 T HN 0.567 nan 8.240 nan 0.000 0.430 5732 T N 2.000 116.535 114.554 -0.032 0.000 2.635 5732 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 5732 T C 2.345 177.015 174.700 -0.050 0.000 1.040 5732 T CA 1.530 63.605 62.100 -0.042 0.000 1.156 5732 T CB -0.699 68.147 68.868 -0.036 0.000 0.863 5732 T HN 0.473 nan 8.240 nan 0.000 0.430 5733 A N 0.660 123.457 122.820 -0.038 0.000 1.933 5733 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 5733 A C 2.600 180.159 177.584 -0.042 0.000 1.175 5733 A CA 1.439 53.453 52.037 -0.038 0.000 0.628 5733 A CB -0.904 18.084 19.000 -0.020 0.000 0.814 5733 A HN 0.378 nan 8.150 nan 0.000 0.444 5734 V N -0.509 119.384 119.914 -0.036 0.000 2.358 5734 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 5734 V C 2.547 178.612 176.094 -0.048 0.000 1.047 5734 V CA 1.833 64.112 62.300 -0.035 0.000 1.035 5734 V CB -0.734 31.073 31.823 -0.026 0.000 0.658 5734 V HN 0.362 nan 8.190 nan 0.000 0.452 5735 V N 0.851 120.732 119.914 -0.055 0.000 2.295 5735 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 5735 V C 2.581 178.622 176.094 -0.088 0.000 1.049 5735 V CA 2.186 64.447 62.300 -0.065 0.000 1.024 5735 V CB -0.540 31.245 31.823 -0.063 0.000 0.648 5735 V HN 0.564 nan 8.190 nan 0.000 0.447 5736 V N -0.958 118.890 119.914 -0.109 0.000 2.626 5736 V HA -0.063 4.057 4.120 -0.001 0.000 0.252 5736 V C 2.403 178.396 176.094 -0.170 0.000 1.067 5736 V CA 1.683 63.883 62.300 -0.165 0.000 1.081 5736 V CB -1.229 30.473 31.823 -0.203 0.000 0.686 5736 V HN 0.372 nan 8.190 nan 0.000 0.468 5737 A N 1.573 124.327 122.820 -0.111 0.000 1.873 5737 A HA 0.096 4.416 4.320 -0.001 0.000 0.215 5737 A C 2.396 179.942 177.584 -0.062 0.000 1.186 5737 A CA 1.854 53.846 52.037 -0.076 0.000 0.616 5737 A CB -1.481 17.495 19.000 -0.040 0.000 0.823 5737 A HN 0.670 nan 8.150 nan 0.000 0.442 5738 G N -0.740 108.023 108.800 -0.061 0.000 2.408 5738 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 5738 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 5738 G C 1.461 176.327 174.900 -0.057 0.000 1.150 5738 G CA 1.289 46.358 45.100 -0.052 0.000 0.776 5738 G HN 0.535 nan 8.290 nan 0.000 0.542 5739 E N 0.337 120.488 120.200 -0.082 0.000 2.072 5739 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 5739 E C 2.527 179.071 176.600 -0.094 0.000 0.985 5739 E CA 0.511 56.857 56.400 -0.091 0.000 0.801 5739 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 5739 E HN 0.419 nan 8.360 nan 0.000 0.452 5740 L N -0.081 121.058 121.223 -0.141 0.000 2.046 5740 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 5740 L C 2.424 179.328 176.870 0.056 0.000 1.077 5740 L CA 0.943 55.689 54.840 -0.158 0.000 0.747 5740 L CB -0.385 41.498 42.059 -0.293 0.000 0.896 5740 L HN 0.220 nan 8.230 nan 0.000 0.432 5741 L N -0.761 120.486 121.223 0.040 0.000 2.046 5741 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 5741 L C 2.825 179.720 176.870 0.041 0.000 1.077 5741 L CA 1.130 56.007 54.840 0.061 0.000 0.747 5741 L CB -0.518 41.549 42.059 0.013 0.000 0.896 5741 L HN 0.256 nan 8.230 nan 0.000 0.432 5742 R N 0.344 120.850 120.500 0.010 0.000 2.083 5742 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 5742 R C 2.286 178.603 176.300 0.029 0.000 1.137 5742 R CA 1.300 57.403 56.100 0.005 0.000 0.951 5742 R CB 0.053 30.344 30.300 -0.015 0.000 0.851 5742 R HN 0.148 nan 8.270 nan 0.000 0.434 5743 K N 0.223 120.653 120.400 0.050 0.000 2.148 5743 K HA -0.050 4.270 4.320 -0.001 0.000 0.204 5743 K C 1.944 178.624 176.600 0.134 0.000 1.050 5743 K CA 1.185 57.525 56.287 0.089 0.000 0.942 5743 K CB -0.328 32.234 32.500 0.102 0.000 0.724 5743 K HN 0.273 nan 8.250 nan 0.000 0.446 5744 A N 1.423 124.344 122.820 0.168 0.000 1.883 5744 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 5744 A C 2.198 179.806 177.584 0.040 0.000 1.186 5744 A CA 1.914 54.027 52.037 0.126 0.000 0.624 5744 A CB -0.465 18.616 19.000 0.135 0.000 0.822 5744 A HN 0.456 nan 8.150 nan 0.000 0.444 5745 E N -0.469 119.749 120.200 0.030 0.000 2.106 5745 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 5745 E C 2.003 178.608 176.600 0.008 0.000 0.984 5745 E CA 1.124 57.527 56.400 0.006 0.000 0.806 5745 E CB -0.149 29.552 29.700 0.001 0.000 0.750 5745 E HN 0.750 nan 8.360 nan 0.000 0.458 5746 E N -0.086 120.127 120.200 0.021 0.000 2.070 5746 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 5746 E C 1.910 178.522 176.600 0.019 0.000 1.004 5746 E CA 1.141 57.554 56.400 0.021 0.000 0.805 5746 E CB 0.050 29.768 29.700 0.030 0.000 0.744 5746 E HN 0.209 nan 8.360 nan 0.000 0.451 5747 L N 0.278 121.516 121.223 0.025 0.000 2.109 5747 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 5747 L C 2.262 179.127 176.870 -0.008 0.000 1.086 5747 L CA 0.963 55.812 54.840 0.015 0.000 0.760 5747 L CB -0.693 41.377 42.059 0.019 0.000 0.910 5747 L HN 0.233 nan 8.230 nan 0.000 0.437 5748 L N -0.653 120.557 121.223 -0.021 0.000 2.083 5748 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 5748 L C 2.120 178.972 176.870 -0.030 0.000 1.083 5748 L CA 1.649 56.463 54.840 -0.043 0.000 0.752 5748 L CB -0.825 41.203 42.059 -0.052 0.000 0.899 5748 L HN 0.280 nan 8.230 nan 0.000 0.433 5749 D N -1.813 118.578 120.400 -0.015 0.000 2.249 5749 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 5749 D C 1.778 178.076 176.300 -0.003 0.000 0.962 5749 D CA 0.470 54.465 54.000 -0.009 0.000 0.860 5749 D CB 0.218 41.016 40.800 -0.004 0.000 0.955 5749 D HN 0.192 nan 8.370 nan 0.000 0.505 5750 Q N 0.141 119.942 119.800 0.001 0.000 2.373 5750 Q HA 0.060 4.400 4.340 -0.001 0.000 0.206 5750 Q C 0.004 176.007 176.000 0.007 0.000 0.942 5750 Q CA 0.132 55.938 55.803 0.006 0.000 0.953 5750 Q CB 0.205 28.950 28.738 0.012 0.000 1.022 5750 Q HN 0.252 nan 8.270 nan 0.000 0.502 5751 N N -0.854 117.848 118.700 0.003 0.000 2.861 5751 N HA -0.139 4.601 4.740 -0.001 0.000 0.247 5751 N C -1.583 173.939 175.510 0.019 0.000 1.117 5751 N CA 0.262 53.318 53.050 0.010 0.000 0.703 5751 N CB -1.071 37.424 38.487 0.013 0.000 1.052 5751 N HN -0.046 nan 8.380 nan 0.000 0.555 5752 V N 1.823 121.743 119.914 0.010 0.000 2.334 5752 V HA 0.231 4.350 4.120 -0.001 0.000 0.281 5752 V C 0.622 176.727 176.094 0.019 0.000 1.016 5752 V CA -0.870 61.442 62.300 0.019 0.000 0.832 5752 V CB 1.247 33.072 31.823 0.004 0.000 0.999 5752 V HN 0.306 nan 8.190 nan 0.000 0.439 5753 H N 7.783 126.833 119.070 -0.033 0.000 2.928 5753 H HA 0.098 4.653 4.556 -0.000 0.000 0.338 5753 H C -1.732 173.565 175.328 -0.053 0.000 1.047 5753 H CA -1.270 54.757 56.048 -0.035 0.000 1.435 5753 H CB 1.947 31.691 29.762 -0.029 0.000 1.428 5753 H HN 0.351 nan 8.280 nan 0.000 0.590 5754 P HA -0.188 nan 4.420 nan 0.000 0.217 5754 P C 1.402 178.730 177.300 0.046 0.000 1.148 5754 P CA 2.460 65.499 63.100 -0.102 0.000 0.834 5754 P CB 0.018 31.609 31.700 -0.182 0.000 0.783 5755 T N -4.097 110.634 114.554 0.295 0.000 2.995 5755 T HA -0.064 4.286 4.350 -0.001 0.000 0.269 5755 T C 1.624 176.347 174.700 0.039 0.000 1.091 5755 T CA 0.809 62.994 62.100 0.141 0.000 1.128 5755 T CB -0.941 67.986 68.868 0.099 0.000 0.891 5755 T HN -0.048 nan 8.240 nan 0.000 0.492 5756 I N 0.879 121.477 120.570 0.046 0.000 2.480 5756 I HA 0.042 4.212 4.170 -0.001 0.000 0.251 5756 I C 2.577 178.641 176.117 -0.088 0.000 1.124 5756 I CA 0.385 61.675 61.300 -0.016 0.000 1.444 5756 I CB -0.284 37.719 38.000 0.004 0.000 1.098 5756 I HN 0.072 nan 8.210 nan 0.000 0.428 5757 V N 0.723 120.551 119.914 -0.144 0.000 2.295 5757 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 5757 V C 2.561 178.323 176.094 -0.554 0.000 1.049 5757 V CA 2.040 64.118 62.300 -0.371 0.000 1.024 5757 V CB -0.768 30.841 31.823 -0.356 0.000 0.648 5757 V HN 0.439 nan 8.190 nan 0.000 0.447 5758 V N -0.705 119.039 119.914 -0.283 0.000 2.667 5758 V HA -0.144 3.976 4.120 -0.001 0.000 0.252 5758 V C 2.361 178.414 176.094 -0.069 0.000 1.065 5758 V CA 2.189 64.397 62.300 -0.153 0.000 1.083 5758 V CB -0.798 30.993 31.823 -0.053 0.000 0.692 5758 V HN 0.514 nan 8.190 nan 0.000 0.468 5759 K N 2.305 122.664 120.400 -0.069 0.000 2.031 5759 K HA 0.107 4.426 4.320 -0.001 0.000 0.205 5759 K C 2.122 178.714 176.600 -0.013 0.000 1.049 5759 K CA 2.009 58.279 56.287 -0.029 0.000 0.939 5759 K CB -1.264 31.220 32.500 -0.026 0.000 0.717 5759 K HN 0.426 nan 8.250 nan 0.000 0.438 5760 G N -0.715 108.069 108.800 -0.027 0.000 2.408 5760 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 5760 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 5760 G C 1.135 176.109 174.900 0.124 0.000 1.150 5760 G CA 0.717 45.850 45.100 0.054 0.000 0.776 5760 G HN 0.271 nan 8.290 nan 0.000 0.542 5761 Y N 0.340 120.589 120.300 -0.086 0.000 2.263 5761 Y HA -0.021 4.529 4.550 -0.001 0.000 0.292 5761 Y C 2.853 178.537 175.900 -0.360 0.000 1.130 5761 Y CA 0.915 58.889 58.100 -0.211 0.000 1.179 5761 Y CB -0.929 37.601 38.460 0.117 0.000 0.998 5761 Y HN 0.264 nan 8.280 nan 0.000 0.532 5762 Q N 0.423 120.230 119.800 0.011 0.000 2.083 5762 Q HA -0.048 4.292 4.340 -0.001 0.000 0.198 5762 Q C 2.362 178.303 176.000 -0.098 0.000 0.969 5762 Q CA 1.744 57.528 55.803 -0.032 0.000 0.838 5762 Q CB -0.456 28.286 28.738 0.007 0.000 0.900 5762 Q HN 0.319 nan 8.270 nan 0.000 0.436 5763 A N 0.265 123.052 122.820 -0.054 0.000 1.873 5763 A HA -0.009 4.310 4.320 -0.001 0.000 0.215 5763 A C 2.276 179.817 177.584 -0.073 0.000 1.186 5763 A CA 1.851 53.903 52.037 0.024 0.000 0.616 5763 A CB -1.160 17.930 19.000 0.151 0.000 0.823 5763 A HN 0.500 nan 8.150 nan 0.000 0.442 5764 A N -0.297 122.391 122.820 -0.221 0.000 1.930 5764 A HA 0.224 4.544 4.320 -0.001 0.000 0.217 5764 A C 2.452 179.689 177.584 -0.579 0.000 1.175 5764 A CA 1.887 53.657 52.037 -0.445 0.000 0.627 5764 A CB -0.862 17.763 19.000 -0.625 0.000 0.815 5764 A HN 0.996 nan 8.150 nan 0.000 0.443 5765 A N -1.156 121.254 122.820 -0.684 0.000 1.930 5765 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 5765 A C 2.111 179.603 177.584 -0.153 0.000 1.175 5765 A CA 1.493 53.366 52.037 -0.272 0.000 0.627 5765 A CB -0.391 18.524 19.000 -0.140 0.000 0.815 5765 A HN 0.465 nan 8.150 nan 0.000 0.443 5766 Q N -0.309 119.388 119.800 -0.172 0.000 2.119 5766 Q HA -0.167 4.173 4.340 -0.001 0.000 0.201 5766 Q C 2.017 177.910 176.000 -0.178 0.000 0.972 5766 Q CA 1.846 57.573 55.803 -0.127 0.000 0.847 5766 Q CB -0.338 28.348 28.738 -0.087 0.000 0.903 5766 Q HN 0.632 nan 8.270 nan 0.000 0.433 5767 K N 0.911 121.113 120.400 -0.330 0.000 2.148 5767 K HA 0.009 4.329 4.320 -0.001 0.000 0.204 5767 K C 1.822 178.269 176.600 -0.255 0.000 1.050 5767 K CA 1.150 57.172 56.287 -0.441 0.000 0.942 5767 K CB -0.363 31.490 32.500 -1.079 0.000 0.724 5767 K HN 0.125 nan 8.250 nan 0.000 0.446 5768 A N 0.534 123.243 122.820 -0.184 0.000 1.933 5768 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 5768 A C 2.036 179.597 177.584 -0.039 0.000 1.175 5768 A CA 1.582 53.585 52.037 -0.058 0.000 0.628 5768 A CB -0.484 18.545 19.000 0.049 0.000 0.814 5768 A HN 0.497 nan 8.150 nan 0.000 0.444 5769 Q N -0.879 118.891 119.800 -0.051 0.000 2.084 5769 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 5769 Q C 2.140 178.119 176.000 -0.035 0.000 0.978 5769 Q CA 1.636 57.419 55.803 -0.033 0.000 0.844 5769 Q CB -0.159 28.559 28.738 -0.033 0.000 0.898 5769 Q HN 0.864 nan 8.270 nan 0.000 0.426 5770 E N 0.767 120.933 120.200 -0.056 0.000 2.072 5770 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 5770 E C 1.988 178.567 176.600 -0.035 0.000 0.985 5770 E CA 0.633 57.005 56.400 -0.047 0.000 0.801 5770 E CB 0.001 29.664 29.700 -0.063 0.000 0.750 5770 E HN 0.295 nan 8.360 nan 0.000 0.452 5771 L N 0.601 121.797 121.223 -0.045 0.000 2.042 5771 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 5771 L C 2.565 179.434 176.870 -0.002 0.000 1.076 5771 L CA 0.923 55.750 54.840 -0.021 0.000 0.749 5771 L CB -0.327 41.718 42.059 -0.024 0.000 0.893 5771 L HN 0.266 nan 8.230 nan 0.000 0.432 5772 L N -0.798 120.422 121.223 -0.005 0.000 2.109 5772 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 5772 L C 2.610 179.482 176.870 0.004 0.000 1.086 5772 L CA 0.782 55.625 54.840 0.004 0.000 0.760 5772 L CB -0.428 41.633 42.059 0.004 0.000 0.910 5772 L HN 0.164 nan 8.230 nan 0.000 0.437 5773 K N -0.150 120.249 120.400 -0.003 0.000 2.211 5773 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 5773 K C 2.071 178.672 176.600 0.001 0.000 1.050 5773 K CA 1.769 58.055 56.287 -0.002 0.000 0.945 5773 K CB -0.354 32.143 32.500 -0.006 0.000 0.732 5773 K HN 0.466 nan 8.250 nan 0.000 0.451 5774 T N -1.885 112.670 114.554 0.001 0.000 3.040 5774 T HA 0.062 4.411 4.350 -0.001 0.000 0.252 5774 T C 1.832 176.537 174.700 0.009 0.000 1.064 5774 T CA -0.014 62.088 62.100 0.004 0.000 1.110 5774 T CB -0.007 68.863 68.868 0.002 0.000 0.921 5774 T HN -0.063 nan 8.240 nan 0.000 0.480 5775 I N 2.134 122.713 120.570 0.015 0.000 2.876 5775 I HA 0.442 4.612 4.170 -0.001 0.000 0.264 5775 I C 1.403 177.533 176.117 0.022 0.000 1.204 5775 I CA -0.627 60.688 61.300 0.025 0.000 1.485 5775 I CB -0.617 37.409 38.000 0.043 0.000 1.103 5775 I HN 0.347 nan 8.210 nan 0.000 0.446 5776 A N 0.037 122.866 122.820 0.016 0.000 2.531 5776 A HA 0.097 4.417 4.320 -0.001 0.000 0.236 5776 A C 0.088 177.679 177.584 0.011 0.000 1.062 5776 A CA 0.044 52.089 52.037 0.013 0.000 0.760 5776 A CB -0.468 18.537 19.000 0.009 0.000 0.995 5776 A HN 0.432 nan 8.150 nan 0.000 0.501 5777 C N 3.127 122.434 119.300 0.011 0.000 2.264 5777 C HA 0.434 4.894 4.460 -0.001 0.000 0.324 5777 C C 0.366 175.360 174.990 0.006 0.000 1.267 5777 C CA -0.579 58.444 59.018 0.008 0.000 1.618 5777 C CB -0.509 27.237 27.740 0.010 0.000 2.278 5777 C HN 0.932 nan 8.230 nan 0.000 0.499 5778 E N 1.336 121.538 120.200 0.004 0.000 2.414 5778 E HA 0.358 4.708 4.350 -0.001 0.000 0.263 5778 E C -0.138 176.464 176.600 0.003 0.000 1.000 5778 E CA 0.404 56.806 56.400 0.003 0.000 0.914 5778 E CB 0.522 30.223 29.700 0.002 0.000 0.948 5778 E HN 0.497 nan 8.360 nan 0.000 0.444 5779 V N 2.148 122.063 119.914 0.003 0.000 3.087 5779 V HA 0.627 4.747 4.120 -0.001 0.000 0.306 5779 V C -0.186 175.909 176.094 0.002 0.000 1.187 5779 V CA -0.589 61.713 62.300 0.003 0.000 0.999 5779 V CB 2.254 34.079 31.823 0.003 0.000 1.049 5779 V HN 0.752 nan 8.190 nan 0.000 0.431 5780 G N 3.166 111.967 108.800 0.002 0.000 2.254 5780 G HA2 0.401 4.361 3.960 -0.001 0.000 0.253 5780 G HA3 0.401 4.361 3.960 -0.001 0.000 0.253 5780 G C 1.028 175.929 174.900 0.002 0.000 1.246 5780 G CA 0.383 45.484 45.100 0.002 0.000 0.946 5780 G HN 1.560 nan 8.290 nan 0.000 0.474 5781 A N 2.638 125.460 122.820 0.002 0.000 1.933 5781 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 5781 A C 2.053 179.639 177.584 0.003 0.000 1.175 5781 A CA 1.215 53.253 52.037 0.002 0.000 0.628 5781 A CB -0.023 18.978 19.000 0.002 0.000 0.814 5781 A HN 0.577 nan 8.150 nan 0.000 0.444 5782 Q N -0.206 119.596 119.800 0.003 0.000 2.198 5782 Q HA 0.058 4.398 4.340 -0.001 0.000 0.209 5782 Q C -0.744 175.257 176.000 0.003 0.000 0.848 5782 Q CA -0.123 55.681 55.803 0.003 0.000 0.974 5782 Q CB 0.061 28.801 28.738 0.003 0.000 1.115 5782 Q HN 0.745 nan 8.270 nan 0.000 0.494 5783 D N 1.073 121.474 120.400 0.002 0.000 2.412 5783 D HA -0.048 4.591 4.640 -0.001 0.000 0.257 5783 D C 1.234 177.534 176.300 0.001 0.000 1.217 5783 D CA 0.159 54.160 54.000 0.001 0.000 0.897 5783 D CB 0.917 41.717 40.800 0.001 0.000 1.132 5783 D HN -0.220 nan 8.370 nan 0.000 0.493 5784 K N 2.995 123.396 120.400 0.001 0.000 2.077 5784 K HA -0.257 4.063 4.320 -0.001 0.000 0.213 5784 K C 1.448 178.048 176.600 -0.001 0.000 1.051 5784 K CA 1.687 57.974 56.287 0.000 0.000 0.929 5784 K CB 0.018 32.518 32.500 -0.000 0.000 0.715 5784 K HN 0.492 nan 8.250 nan 0.000 0.451 5785 E N 0.050 120.249 120.200 -0.002 0.000 2.017 5785 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 5785 E C 2.113 178.711 176.600 -0.003 0.000 0.997 5785 E CA 1.398 57.795 56.400 -0.004 0.000 0.804 5785 E CB -0.468 29.230 29.700 -0.004 0.000 0.757 5785 E HN 0.343 nan 8.360 nan 0.000 0.448 5786 I N 1.215 121.784 120.570 -0.001 0.000 2.335 5786 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 5786 I C 2.247 178.364 176.117 0.001 0.000 1.129 5786 I CA 0.939 62.239 61.300 -0.000 0.000 1.402 5786 I CB -0.164 37.836 38.000 0.001 0.000 1.069 5786 I HN 0.035 nan 8.210 nan 0.000 0.424 5787 L N -0.417 120.806 121.223 0.001 0.000 2.056 5787 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 5787 L C 2.496 179.366 176.870 0.001 0.000 1.078 5787 L CA 1.859 56.700 54.840 0.002 0.000 0.749 5787 L CB -1.174 40.886 42.059 0.002 0.000 0.901 5787 L HN 0.405 nan 8.230 nan 0.000 0.433 5788 T N -3.743 110.810 114.554 -0.001 0.000 2.985 5788 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 5788 T C 1.862 176.559 174.700 -0.005 0.000 1.076 5788 T CA 0.574 62.672 62.100 -0.003 0.000 1.135 5788 T CB 0.006 68.871 68.868 -0.005 0.000 0.890 5788 T HN 0.005 nan 8.240 nan 0.000 0.480 5789 K N 0.795 121.192 120.400 -0.005 0.000 2.062 5789 K HA 0.249 4.569 4.320 -0.001 0.000 0.205 5789 K C 2.126 178.726 176.600 -0.001 0.000 1.051 5789 K CA 0.591 56.874 56.287 -0.007 0.000 0.941 5789 K CB -0.428 32.068 32.500 -0.006 0.000 0.719 5789 K HN 0.266 nan 8.250 nan 0.000 0.440 5790 I N 0.741 121.312 120.570 0.002 0.000 2.179 5790 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 5790 I C 2.162 178.284 176.117 0.007 0.000 1.088 5790 I CA 1.438 62.742 61.300 0.006 0.000 1.357 5790 I CB -1.336 36.667 38.000 0.006 0.000 1.051 5790 I HN 0.090 nan 8.210 nan 0.000 0.409 5791 A N 0.815 123.638 122.820 0.005 0.000 1.865 5791 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 5791 A C 2.410 179.998 177.584 0.007 0.000 1.191 5791 A CA 1.998 54.039 52.037 0.006 0.000 0.623 5791 A CB -0.637 18.366 19.000 0.004 0.000 0.826 5791 A HN 0.355 nan 8.150 nan 0.000 0.444 5792 M N -0.308 119.293 119.600 0.003 0.000 2.132 5792 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 5792 M C 2.428 178.735 176.300 0.012 0.000 1.065 5792 M CA 2.020 57.320 55.300 0.000 0.000 1.122 5792 M CB -0.747 31.844 32.600 -0.016 0.000 1.365 5792 M HN 0.725 nan 8.290 nan 0.000 0.411 5793 T N -2.715 111.848 114.554 0.015 0.000 2.867 5793 T HA -0.095 4.254 4.350 -0.001 0.000 0.268 5793 T C 1.888 176.613 174.700 0.042 0.000 1.057 5793 T CA 1.631 63.752 62.100 0.035 0.000 1.136 5793 T CB -0.457 68.429 68.868 0.031 0.000 0.874 5793 T HN 0.298 nan 8.240 nan 0.000 0.466 5794 S N 0.922 116.639 115.700 0.028 0.000 2.368 5794 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 5794 S C 2.001 176.619 174.600 0.029 0.000 1.029 5794 S CA 0.724 58.939 58.200 0.025 0.000 0.988 5794 S CB -0.617 62.593 63.200 0.017 0.000 0.838 5794 S HN 0.589 nan 8.310 nan 0.000 0.462 5795 I N 1.762 122.349 120.570 0.029 0.000 2.361 5795 I HA -0.101 4.069 4.170 -0.001 0.000 0.251 5795 I C 1.276 177.421 176.117 0.047 0.000 1.133 5795 I CA 0.896 62.214 61.300 0.031 0.000 1.413 5795 I CB -0.908 37.106 38.000 0.024 0.000 1.073 5795 I HN 0.429 nan 8.210 nan 0.000 0.424 5796 T N -0.584 114.011 114.554 0.069 0.000 2.932 5796 T HA 0.321 4.671 4.350 -0.001 0.000 0.312 5796 T C 1.160 175.918 174.700 0.097 0.000 1.071 5796 T CA 0.101 62.273 62.100 0.121 0.000 1.128 5796 T CB 1.287 70.281 68.868 0.209 0.000 0.984 5796 T HN 0.604 nan 8.240 nan 0.000 0.549 5797 G N 1.511 110.369 108.800 0.097 0.000 2.176 5797 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 5797 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 5797 G C -0.069 174.848 174.900 0.028 0.000 0.979 5797 G CA 0.392 45.514 45.100 0.037 0.000 0.641 5797 G HN 0.943 nan 8.290 nan 0.000 0.530 5798 K N -0.940 119.484 120.400 0.040 0.000 2.350 5798 K HA 0.621 4.940 4.320 -0.001 0.000 0.241 5798 K C 1.494 178.115 176.600 0.035 0.000 0.994 5798 K CA -0.521 55.784 56.287 0.030 0.000 0.839 5798 K CB 1.436 33.952 32.500 0.027 0.000 1.244 5798 K HN 0.160 nan 8.250 nan 0.000 0.443 5799 G N 0.377 109.194 108.800 0.028 0.000 2.422 5799 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 5799 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 5799 G C 1.290 176.208 174.900 0.030 0.000 1.140 5799 G CA 0.985 46.102 45.100 0.029 0.000 0.775 5799 G HN 0.616 nan 8.290 nan 0.000 0.545 5800 A N 1.690 124.527 122.820 0.028 0.000 2.125 5800 A HA -0.029 4.290 4.320 -0.001 0.000 0.219 5800 A C 2.131 179.730 177.584 0.025 0.000 1.156 5800 A CA 1.763 53.815 52.037 0.025 0.000 0.671 5800 A CB -0.438 18.576 19.000 0.023 0.000 0.794 5800 A HN 0.662 nan 8.150 nan 0.000 0.459 5801 E N 1.233 121.453 120.200 0.033 0.000 2.331 5801 E HA -0.293 4.056 4.350 -0.001 0.000 0.199 5801 E C 1.614 178.227 176.600 0.022 0.000 1.008 5801 E CA 1.366 57.786 56.400 0.033 0.000 0.843 5801 E CB -0.546 29.190 29.700 0.060 0.000 0.761 5801 E HN 0.820 nan 8.360 nan 0.000 0.507 5802 K N 0.860 121.274 120.400 0.024 0.000 2.211 5802 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 5802 K C 1.501 178.106 176.600 0.008 0.000 1.047 5802 K CA 1.491 57.788 56.287 0.016 0.000 0.935 5802 K CB -0.006 32.505 32.500 0.019 0.000 0.728 5802 K HN 0.160 nan 8.250 nan 0.000 0.452 5803 A N 1.769 124.594 122.820 0.009 0.000 2.616 5803 A HA 0.145 4.464 4.320 -0.001 0.000 0.294 5803 A C 1.303 178.889 177.584 0.003 0.000 1.091 5803 A CA -0.563 51.477 52.037 0.005 0.000 0.971 5803 A CB -0.054 18.951 19.000 0.008 0.000 1.222 5803 A HN 0.415 nan 8.150 nan 0.000 0.521 5804 K N 0.162 120.563 120.400 0.002 0.000 2.286 5804 K HA -0.210 4.109 4.320 -0.001 0.000 0.203 5804 K C 0.862 177.459 176.600 -0.005 0.000 1.045 5804 K CA 1.927 58.213 56.287 -0.000 0.000 0.935 5804 K CB -0.101 32.397 32.500 -0.004 0.000 0.737 5804 K HN 0.333 nan 8.250 nan 0.000 0.460 5805 E N 1.490 121.684 120.200 -0.009 0.000 2.046 5805 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 5805 E C 1.913 178.510 176.600 -0.004 0.000 0.982 5805 E CA 1.298 57.691 56.400 -0.010 0.000 0.800 5805 E CB -0.072 29.620 29.700 -0.013 0.000 0.756 5805 E HN 0.257 nan 8.360 nan 0.000 0.449 5806 K N 0.334 120.733 120.400 -0.001 0.000 2.097 5806 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 5806 K C 1.636 178.239 176.600 0.005 0.000 1.050 5806 K CA 0.808 57.096 56.287 0.002 0.000 0.938 5806 K CB -0.251 32.252 32.500 0.004 0.000 0.718 5806 K HN 0.004 nan 8.250 nan 0.000 0.442 5807 L N 0.412 121.638 121.223 0.005 0.000 2.093 5807 L HA 0.036 4.376 4.340 -0.001 0.000 0.208 5807 L C 2.277 179.150 176.870 0.006 0.000 1.085 5807 L CA 1.895 56.739 54.840 0.007 0.000 0.755 5807 L CB -1.152 40.912 42.059 0.009 0.000 0.904 5807 L HN 0.269 nan 8.230 nan 0.000 0.435 5808 A N -0.800 122.022 122.820 0.003 0.000 1.898 5808 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 5808 A C 2.314 179.900 177.584 0.002 0.000 1.181 5808 A CA 1.632 53.670 52.037 0.002 0.000 0.620 5808 A CB -0.496 18.502 19.000 -0.002 0.000 0.819 5808 A HN 0.380 nan 8.150 nan 0.000 0.442 5809 E N 0.331 120.532 120.200 0.002 0.000 2.058 5809 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 5809 E C 1.697 178.300 176.600 0.006 0.000 0.997 5809 E CA 1.593 57.995 56.400 0.003 0.000 0.801 5809 E CB -0.388 29.313 29.700 0.002 0.000 0.746 5809 E HN 0.639 nan 8.360 nan 0.000 0.450 5810 I N -0.328 120.247 120.570 0.007 0.000 2.179 5810 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 5810 I C 1.931 178.054 176.117 0.009 0.000 1.088 5810 I CA 0.760 62.066 61.300 0.010 0.000 1.357 5810 I CB -0.153 37.855 38.000 0.012 0.000 1.051 5810 I HN 0.161 nan 8.210 nan 0.000 0.409 5811 I N -0.364 120.211 120.570 0.008 0.000 2.406 5811 I HA -0.163 4.007 4.170 -0.001 0.000 0.249 5811 I C 2.295 178.415 176.117 0.006 0.000 1.122 5811 I CA 1.067 62.371 61.300 0.007 0.000 1.431 5811 I CB -0.286 37.718 38.000 0.006 0.000 1.087 5811 I HN -0.063 nan 8.210 nan 0.000 0.424 5812 V N 0.230 120.147 119.914 0.006 0.000 2.358 5812 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 5812 V C 2.511 178.609 176.094 0.006 0.000 1.047 5812 V CA 1.916 64.219 62.300 0.005 0.000 1.035 5812 V CB -0.546 31.279 31.823 0.004 0.000 0.658 5812 V HN 0.403 nan 8.190 nan 0.000 0.452 5813 E N 0.848 121.052 120.200 0.007 0.000 2.077 5813 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 5813 E C 2.133 178.740 176.600 0.010 0.000 0.989 5813 E CA 1.681 58.087 56.400 0.009 0.000 0.800 5813 E CB -0.493 29.213 29.700 0.010 0.000 0.746 5813 E HN 0.492 nan 8.360 nan 0.000 0.452 5814 A N 0.031 122.856 122.820 0.010 0.000 1.902 5814 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 5814 A C 2.505 180.094 177.584 0.008 0.000 1.181 5814 A CA 1.730 53.773 52.037 0.009 0.000 0.623 5814 A CB -0.784 18.220 19.000 0.008 0.000 0.818 5814 A HN 0.205 nan 8.150 nan 0.000 0.443 5815 V N -0.330 119.588 119.914 0.007 0.000 2.307 5815 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 5815 V C 2.764 178.862 176.094 0.007 0.000 1.045 5815 V CA 2.241 64.544 62.300 0.006 0.000 1.024 5815 V CB -0.853 30.973 31.823 0.005 0.000 0.651 5815 V HN 0.546 nan 8.190 nan 0.000 0.449 5816 S N 0.193 115.898 115.700 0.008 0.000 2.387 5816 S HA -0.220 4.250 4.470 -0.001 0.000 0.230 5816 S C 2.169 176.776 174.600 0.011 0.000 1.035 5816 S CA 1.513 59.718 58.200 0.009 0.000 1.014 5816 S CB -0.473 62.732 63.200 0.009 0.000 0.836 5816 S HN 0.659 nan 8.310 nan 0.000 0.466 5817 A N 1.113 123.941 122.820 0.013 0.000 1.855 5817 A HA -0.043 4.276 4.320 -0.001 0.000 0.215 5817 A C 2.402 179.996 177.584 0.016 0.000 1.191 5817 A CA 1.761 53.808 52.037 0.018 0.000 0.613 5817 A CB -0.822 18.189 19.000 0.019 0.000 0.829 5817 A HN 0.580 nan 8.150 nan 0.000 0.442 5818 V N -3.210 116.711 119.914 0.012 0.000 3.052 5818 V HA 0.040 4.160 4.120 -0.001 0.000 0.254 5818 V C 2.033 178.131 176.094 0.006 0.000 1.100 5818 V CA 1.365 63.670 62.300 0.009 0.000 1.112 5818 V CB -0.364 31.462 31.823 0.005 0.000 0.738 5818 V HN 0.194 nan 8.190 nan 0.000 0.469 5819 V N 0.552 120.469 119.914 0.006 0.000 2.809 5819 V HA -0.058 4.061 4.120 -0.001 0.000 0.256 5819 V C 1.571 177.666 176.094 0.003 0.000 1.080 5819 V CA 2.289 64.592 62.300 0.004 0.000 1.102 5819 V CB -0.538 31.288 31.823 0.004 0.000 0.705 5819 V HN 0.842 nan 8.190 nan 0.000 0.475 5820 D N -0.650 119.752 120.400 0.004 0.000 4.438 5820 D HA -0.218 4.421 4.640 -0.001 0.000 0.158 5820 D C 0.632 176.933 176.300 0.001 0.000 0.686 5820 D CA 1.927 55.928 54.000 0.002 0.000 1.183 5820 D CB -1.243 39.556 40.800 -0.002 0.000 0.623 5820 D HN 0.557 nan 8.370 nan 0.000 0.521 5821 D N 1.020 121.419 120.400 -0.001 0.000 2.393 5821 D HA 0.289 4.929 4.640 -0.001 0.000 0.246 5821 D C -0.157 176.143 176.300 0.000 0.000 1.275 5821 D CA 0.228 54.227 54.000 -0.001 0.000 0.979 5821 D CB 0.402 41.200 40.800 -0.003 0.000 1.101 5821 D HN 0.154 nan 8.370 nan 0.000 0.505 5822 E N -0.606 119.594 120.200 0.000 0.000 2.731 5822 E HA 0.596 4.946 4.350 -0.001 0.000 0.220 5822 E C -0.183 176.418 176.600 0.000 0.000 1.087 5822 E CA -0.503 55.897 56.400 0.001 0.000 1.020 5822 E CB 0.857 30.557 29.700 0.001 0.000 1.339 5822 E HN 0.502 nan 8.360 nan 0.000 0.444 5823 G N 0.589 109.389 108.800 0.000 0.000 2.328 5823 G HA2 0.353 4.313 3.960 -0.001 0.000 0.299 5823 G HA3 0.353 4.313 3.960 -0.001 0.000 0.299 5823 G C -1.738 173.162 174.900 0.000 0.000 1.435 5823 G CA -0.926 44.174 45.100 0.000 0.000 0.865 5823 G HN 0.025 nan 8.290 nan 0.000 0.601 5824 K N 0.300 120.701 120.400 0.000 0.000 2.581 5824 K HA 0.587 4.906 4.320 -0.001 0.000 0.249 5824 K C -1.663 174.938 176.600 0.000 0.000 0.966 5824 K CA -0.581 55.706 56.287 0.000 0.000 0.811 5824 K CB 2.059 34.559 32.500 -0.001 0.000 1.223 5824 K HN 0.880 nan 8.250 nan 0.000 0.438 5825 V N 3.030 122.945 119.914 0.001 0.000 2.547 5825 V HA 0.429 4.548 4.120 -0.001 0.000 0.299 5825 V C -1.123 174.971 176.094 -0.000 0.000 1.040 5825 V CA -0.516 61.784 62.300 0.001 0.000 0.913 5825 V CB 1.695 33.518 31.823 0.001 0.000 0.992 5825 V HN 0.779 nan 8.190 nan 0.000 0.449 5826 D N 4.538 124.938 120.400 -0.001 0.000 2.441 5826 D HA 0.332 4.972 4.640 -0.001 0.000 0.231 5826 D C 0.787 177.085 176.300 -0.003 0.000 1.073 5826 D CA -0.306 53.693 54.000 -0.002 0.000 0.850 5826 D CB 1.678 42.476 40.800 -0.003 0.000 1.062 5826 D HN 0.553 nan 8.370 nan 0.000 0.524 5827 K N 2.042 122.440 120.400 -0.003 0.000 2.280 5827 K HA -0.152 4.168 4.320 -0.001 0.000 0.202 5827 K C 0.883 177.479 176.600 -0.007 0.000 1.047 5827 K CA 0.823 57.108 56.287 -0.004 0.000 0.942 5827 K CB 0.248 32.747 32.500 -0.003 0.000 0.739 5827 K HN 0.355 nan 8.250 nan 0.000 0.457 5828 D N 0.765 121.160 120.400 -0.008 0.000 2.310 5828 D HA -0.072 4.567 4.640 -0.001 0.000 0.212 5828 D C 1.343 177.635 176.300 -0.015 0.000 0.965 5828 D CA 0.629 54.621 54.000 -0.012 0.000 0.879 5828 D CB 0.157 40.950 40.800 -0.012 0.000 0.921 5828 D HN 0.105 nan 8.370 nan 0.000 0.510 5829 L N -0.187 121.030 121.223 -0.011 0.000 2.492 5829 L HA 0.157 4.496 4.340 -0.001 0.000 0.223 5829 L C 0.355 177.218 176.870 -0.011 0.000 1.132 5829 L CA 0.248 55.081 54.840 -0.011 0.000 0.850 5829 L CB 0.133 42.188 42.059 -0.005 0.000 0.966 5829 L HN 0.019 nan 8.230 nan 0.000 0.454 5830 I N 0.568 121.131 120.570 -0.010 0.000 2.390 5830 I HA 0.180 4.350 4.170 -0.001 0.000 0.283 5830 I C -0.088 176.020 176.117 -0.015 0.000 1.016 5830 I CA -0.641 60.654 61.300 -0.009 0.000 1.151 5830 I CB 1.405 39.403 38.000 -0.004 0.000 1.293 5830 I HN -0.148 nan 8.210 nan 0.000 0.458 5831 K N 7.269 127.656 120.400 -0.021 0.000 2.172 5831 K HA 0.452 4.771 4.320 -0.001 0.000 0.276 5831 K C -0.785 175.801 176.600 -0.023 0.000 1.013 5831 K CA -0.239 56.031 56.287 -0.028 0.000 0.913 5831 K CB 0.775 33.248 32.500 -0.045 0.000 1.055 5831 K HN 0.396 nan 8.250 nan 0.000 0.461 5832 I N 3.932 124.489 120.570 -0.021 0.000 2.347 5832 I HA 0.239 4.409 4.170 -0.001 0.000 0.283 5832 I C -0.160 175.944 176.117 -0.022 0.000 1.058 5832 I CA -0.679 60.612 61.300 -0.015 0.000 1.202 5832 I CB 0.343 38.338 38.000 -0.009 0.000 1.386 5832 I HN 0.684 nan 8.210 nan 0.000 0.475 5833 E N 6.972 127.157 120.200 -0.026 0.000 2.214 5833 E HA 0.613 4.962 4.350 -0.001 0.000 0.274 5833 E C -0.784 175.805 176.600 -0.018 0.000 0.977 5833 E CA -0.595 55.784 56.400 -0.034 0.000 0.827 5833 E CB 1.407 31.072 29.700 -0.059 0.000 1.130 5833 E HN 0.563 nan 8.360 nan 0.000 0.394 5834 K N 1.623 122.011 120.400 -0.019 0.000 2.498 5834 K HA 0.688 5.008 4.320 -0.001 0.000 0.254 5834 K C -1.334 175.259 176.600 -0.012 0.000 0.933 5834 K CA -1.213 55.068 56.287 -0.010 0.000 0.806 5834 K CB 1.817 34.311 32.500 -0.011 0.000 1.301 5834 K HN 0.197 nan 8.250 nan 0.000 0.432 5835 K N 1.350 121.749 120.400 -0.001 0.000 2.581 5835 K HA 0.216 4.536 4.320 -0.001 0.000 0.249 5835 K C -1.282 175.320 176.600 0.003 0.000 0.966 5835 K CA -0.339 55.949 56.287 0.001 0.000 0.811 5835 K CB 2.180 34.689 32.500 0.015 0.000 1.223 5835 K HN 0.711 nan 8.250 nan 0.000 0.438 5836 S N 2.579 118.275 115.700 -0.007 0.000 2.568 5836 S HA 0.600 5.070 4.470 -0.001 0.000 0.282 5836 S C 0.136 174.738 174.600 0.004 0.000 1.338 5836 S CA 1.339 59.535 58.200 -0.006 0.000 1.045 5836 S CB -0.223 62.966 63.200 -0.018 0.000 0.873 5836 S HN 1.207 nan 8.310 nan 0.000 0.516 5837 G N 1.785 110.590 108.800 0.007 0.000 2.428 5837 G HA2 0.509 4.469 3.960 -0.001 0.000 0.681 5837 G HA3 0.509 4.469 3.960 -0.001 0.000 0.681 5837 G C -0.099 174.810 174.900 0.014 0.000 1.340 5837 G CA -0.039 45.068 45.100 0.011 0.000 0.915 5837 G HN 2.158 nan 8.290 nan 0.000 0.645 5838 A N -0.814 122.013 122.820 0.013 0.000 6.088 5838 A HA 0.395 4.715 4.320 -0.001 0.000 0.261 5838 A C 1.091 178.682 177.584 0.012 0.000 2.138 5838 A CA 1.912 53.956 52.037 0.012 0.000 0.708 5838 A CB -1.632 17.377 19.000 0.015 0.000 1.068 5838 A HN 2.717 nan 8.150 nan 0.000 0.364 5839 S N -2.556 113.151 115.700 0.012 0.000 2.745 5839 S HA 0.692 5.162 4.470 -0.001 0.000 0.306 5839 S C 1.124 175.732 174.600 0.014 0.000 1.137 5839 S CA 0.144 58.351 58.200 0.012 0.000 0.900 5839 S CB 1.369 64.575 63.200 0.010 0.000 1.176 5839 S HN 1.652 nan 8.310 nan 0.000 0.520 5840 I N 1.116 121.694 120.570 0.014 0.000 2.493 5840 I HA -0.086 4.084 4.170 -0.001 0.000 0.254 5840 I C 1.576 177.701 176.117 0.013 0.000 1.160 5840 I CA 1.599 62.907 61.300 0.014 0.000 1.445 5840 I CB -0.101 37.908 38.000 0.015 0.000 1.086 5840 I HN 0.794 nan 8.210 nan 0.000 0.433 5841 D N 0.756 121.162 120.400 0.011 0.000 2.264 5841 D HA -0.203 4.437 4.640 -0.001 0.000 0.208 5841 D C 1.594 177.899 176.300 0.009 0.000 0.966 5841 D CA 1.118 55.123 54.000 0.008 0.000 0.864 5841 D CB 0.023 40.826 40.800 0.006 0.000 0.933 5841 D HN 0.358 nan 8.370 nan 0.000 0.499 5842 D N -0.461 119.945 120.400 0.011 0.000 2.347 5842 D HA -0.032 4.608 4.640 -0.001 0.000 0.213 5842 D C 0.235 176.547 176.300 0.020 0.000 0.985 5842 D CA 0.384 54.392 54.000 0.013 0.000 0.879 5842 D CB -0.126 40.682 40.800 0.014 0.000 0.919 5842 D HN 0.148 nan 8.370 nan 0.000 0.526 5843 T N 1.563 116.130 114.554 0.021 0.000 2.933 5843 T HA 0.106 4.456 4.350 -0.001 0.000 0.306 5843 T C 0.291 175.007 174.700 0.027 0.000 1.045 5843 T CA 0.675 62.791 62.100 0.026 0.000 1.143 5843 T CB 1.038 69.919 68.868 0.021 0.000 1.003 5843 T HN 0.014 nan 8.240 nan 0.000 0.540 5844 E N 1.480 121.702 120.200 0.038 0.000 2.390 5844 E HA 0.530 4.880 4.350 -0.001 0.000 0.280 5844 E C -1.884 174.746 176.600 0.051 0.000 0.992 5844 E CA -0.813 55.610 56.400 0.038 0.000 0.790 5844 E CB 1.073 30.794 29.700 0.035 0.000 1.248 5844 E HN 0.356 nan 8.360 nan 0.000 0.447 5845 L N 3.339 124.587 121.223 0.042 0.000 2.312 5845 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 5845 L C -1.079 175.828 176.870 0.061 0.000 1.070 5845 L CA -0.182 54.684 54.840 0.043 0.000 0.805 5845 L CB 0.792 42.867 42.059 0.028 0.000 1.174 5845 L HN 0.570 nan 8.230 nan 0.000 0.434 5846 I N 5.456 126.071 120.570 0.076 0.000 2.382 5846 I HA 0.301 4.471 4.170 -0.001 0.000 0.285 5846 I C -0.057 176.099 176.117 0.064 0.000 1.007 5846 I CA -0.461 60.900 61.300 0.102 0.000 1.142 5846 I CB 1.153 39.269 38.000 0.192 0.000 1.289 5846 I HN 0.326 nan 8.210 nan 0.000 0.453 5847 K N 5.779 126.210 120.400 0.051 0.000 2.081 5847 K HA 0.484 4.803 4.320 -0.001 0.000 0.230 5847 K C 0.456 177.077 176.600 0.035 0.000 1.199 5847 K CA -0.004 56.303 56.287 0.034 0.000 1.130 5847 K CB -0.286 32.228 32.500 0.024 0.000 1.386 5847 K HN 0.979 nan 8.250 nan 0.000 0.280 5848 G N -0.662 108.156 108.800 0.029 0.000 2.398 5848 G HA2 0.023 3.983 3.960 -0.001 0.000 0.251 5848 G HA3 0.023 3.983 3.960 -0.001 0.000 0.251 5848 G C -1.606 173.289 174.900 -0.008 0.000 1.277 5848 G CA -0.805 44.305 45.100 0.016 0.000 0.927 5848 G HN 0.085 nan 8.290 nan 0.000 0.477 5849 V N 0.753 120.647 119.914 -0.034 0.000 2.495 5849 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 5849 V C -0.649 175.359 176.094 -0.142 0.000 1.031 5849 V CA -0.623 61.620 62.300 -0.094 0.000 0.871 5849 V CB 1.409 33.151 31.823 -0.136 0.000 0.988 5849 V HN 0.911 nan 8.190 nan 0.000 0.432 5850 L N 7.461 128.562 121.223 -0.204 0.000 2.305 5850 L HA 0.836 5.176 4.340 -0.001 0.000 0.284 5850 L C -0.383 176.316 176.870 -0.285 0.000 1.013 5850 L CA -0.153 54.464 54.840 -0.373 0.000 0.819 5850 L CB 1.692 43.435 42.059 -0.527 0.000 1.227 5850 L HN 0.577 nan 8.230 nan 0.000 0.417 5851 V N 1.573 121.326 119.914 -0.269 0.000 2.769 5851 V HA 0.636 4.755 4.120 -0.001 0.000 0.312 5851 V C -0.491 175.522 176.094 -0.136 0.000 1.061 5851 V CA -0.522 61.674 62.300 -0.174 0.000 0.931 5851 V CB 1.834 33.571 31.823 -0.143 0.000 1.010 5851 V HN 0.822 nan 8.190 nan 0.000 0.433 5852 D N 1.127 121.475 120.400 -0.088 0.000 3.134 5852 D HA 0.340 4.979 4.640 -0.001 0.000 0.248 5852 D C -0.103 176.192 176.300 -0.009 0.000 1.273 5852 D CA -0.264 53.703 54.000 -0.054 0.000 0.904 5852 D CB 0.342 41.114 40.800 -0.047 0.000 1.089 5852 D HN 0.521 nan 8.370 nan 0.000 0.478 5853 K N 0.278 120.688 120.400 0.016 0.000 2.313 5853 K HA 0.534 4.854 4.320 -0.001 0.000 0.235 5853 K C 0.185 176.819 176.600 0.057 0.000 1.035 5853 K CA -0.853 55.465 56.287 0.052 0.000 0.868 5853 K CB 1.726 34.290 32.500 0.106 0.000 1.232 5853 K HN 0.310 nan 8.250 nan 0.000 0.459 5854 E N -0.103 120.127 120.200 0.050 0.000 2.378 5854 E HA 0.480 4.830 4.350 -0.001 0.000 0.265 5854 E C -0.749 175.865 176.600 0.023 0.000 0.932 5854 E CA -1.141 55.282 56.400 0.039 0.000 0.795 5854 E CB 1.119 30.836 29.700 0.028 0.000 1.296 5854 E HN 0.100 nan 8.360 nan 0.000 0.438 5855 R N 1.406 121.912 120.500 0.011 0.000 2.296 5855 R HA 0.074 4.414 4.340 -0.001 0.000 0.323 5855 R C 1.247 177.541 176.300 -0.011 0.000 1.067 5855 R CA 0.160 56.252 56.100 -0.014 0.000 0.946 5855 R CB 0.957 31.248 30.300 -0.016 0.000 0.991 5855 R HN 0.649 nan 8.270 nan 0.000 0.448 5856 V N 0.008 119.911 119.914 -0.020 0.000 2.688 5856 V HA -0.101 4.019 4.120 -0.001 0.000 0.256 5856 V C 0.905 176.995 176.094 -0.006 0.000 1.084 5856 V CA 1.207 63.501 62.300 -0.010 0.000 1.103 5856 V CB -0.251 31.564 31.823 -0.013 0.000 0.688 5856 V HN 0.526 nan 8.190 nan 0.000 0.480 5857 S N -0.903 114.792 115.700 -0.009 0.000 2.521 5857 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 5857 S C 0.828 175.427 174.600 -0.001 0.000 1.098 5857 S CA -0.139 58.061 58.200 -0.000 0.000 0.999 5857 S CB 1.822 65.024 63.200 0.004 0.000 1.034 5857 S HN 0.734 nan 8.310 nan 0.000 0.483 5858 A N 3.475 126.299 122.820 0.005 0.000 2.121 5858 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 5858 A C 1.782 179.370 177.584 0.006 0.000 1.154 5858 A CA 1.115 53.155 52.037 0.006 0.000 0.679 5858 A CB -0.438 18.566 19.000 0.007 0.000 0.795 5858 A HN 0.904 nan 8.150 nan 0.000 0.458 5859 Q N -0.905 118.900 119.800 0.008 0.000 2.389 5859 Q HA 0.143 4.483 4.340 -0.001 0.000 0.204 5859 Q C 0.296 176.288 176.000 -0.013 0.000 0.944 5859 Q CA 0.074 55.879 55.803 0.003 0.000 0.908 5859 Q CB -0.060 28.686 28.738 0.014 0.000 1.002 5859 Q HN 0.665 nan 8.270 nan 0.000 0.493 5860 M N 1.681 121.271 119.600 -0.017 0.000 2.242 5860 M HA 0.178 4.657 4.480 -0.001 0.000 0.344 5860 M C -2.111 174.178 176.300 -0.018 0.000 1.140 5860 M CA -1.920 53.364 55.300 -0.026 0.000 1.160 5860 M CB 0.170 32.750 32.600 -0.034 0.000 1.491 5860 M HN -0.179 nan 8.290 nan 0.000 0.459 5861 P HA 0.005 nan 4.420 nan 0.000 0.266 5861 P C -0.455 176.841 177.300 -0.007 0.000 1.193 5861 P CA 0.279 63.372 63.100 -0.012 0.000 0.770 5861 P CB 0.459 32.151 31.700 -0.014 0.000 0.836 5862 K N 1.270 121.671 120.400 0.001 0.000 2.393 5862 K HA 0.053 4.372 4.320 -0.001 0.000 0.193 5862 K C 0.384 176.995 176.600 0.019 0.000 1.026 5862 K CA 0.472 56.766 56.287 0.011 0.000 1.064 5862 K CB 0.124 32.631 32.500 0.012 0.000 0.833 5862 K HN 0.496 nan 8.250 nan 0.000 0.521 5863 K N -0.384 120.023 120.400 0.012 0.000 2.571 5863 K HA 0.337 4.656 4.320 -0.001 0.000 0.252 5863 K C -1.330 175.277 176.600 0.011 0.000 0.956 5863 K CA -0.788 55.510 56.287 0.017 0.000 0.822 5863 K CB 2.023 34.530 32.500 0.012 0.000 1.286 5863 K HN -0.275 nan 8.250 nan 0.000 0.439 5864 V N 2.098 122.022 119.914 0.017 0.000 2.577 5864 V HA 0.462 4.582 4.120 -0.001 0.000 0.303 5864 V C -0.208 175.898 176.094 0.020 0.000 1.042 5864 V CA -0.538 61.769 62.300 0.012 0.000 0.872 5864 V CB 1.849 33.675 31.823 0.006 0.000 0.998 5864 V HN 1.006 nan 8.190 nan 0.000 0.423 5865 T N -0.166 114.395 114.554 0.013 0.000 2.945 5865 T HA 0.566 4.916 4.350 -0.001 0.000 0.286 5865 T C 0.104 174.811 174.700 0.011 0.000 1.025 5865 T CA -0.257 61.850 62.100 0.013 0.000 1.039 5865 T CB 1.370 70.242 68.868 0.006 0.000 1.068 5865 T HN 0.774 nan 8.240 nan 0.000 0.497 5866 D N 0.058 120.465 120.400 0.011 0.000 2.689 5866 D HA -0.149 4.491 4.640 -0.001 0.000 0.237 5866 D C 0.270 176.579 176.300 0.016 0.000 1.148 5866 D CA 0.845 54.851 54.000 0.010 0.000 0.656 5866 D CB -1.256 39.547 40.800 0.006 0.000 1.050 5866 D HN 1.086 nan 8.370 nan 0.000 0.426 5867 A N 1.309 124.144 122.820 0.024 0.000 2.425 5867 A HA 0.409 4.729 4.320 -0.001 0.000 0.249 5867 A C 0.533 178.137 177.584 0.035 0.000 1.084 5867 A CA 0.059 52.114 52.037 0.031 0.000 0.781 5867 A CB 0.635 19.665 19.000 0.050 0.000 1.019 5867 A HN 0.150 nan 8.150 nan 0.000 0.490 5868 K N 2.721 123.139 120.400 0.030 0.000 2.354 5868 K HA 0.360 4.680 4.320 -0.001 0.000 0.257 5868 K C -1.223 175.403 176.600 0.043 0.000 1.062 5868 K CA -0.194 56.112 56.287 0.032 0.000 0.971 5868 K CB 0.829 33.341 32.500 0.020 0.000 1.305 5868 K HN 0.541 nan 8.250 nan 0.000 0.449 5869 I N 2.195 122.807 120.570 0.070 0.000 2.352 5869 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 5869 I C 0.407 176.583 176.117 0.099 0.000 1.036 5869 I CA -0.130 61.238 61.300 0.115 0.000 1.336 5869 I CB 1.315 39.420 38.000 0.175 0.000 1.407 5869 I HN 0.453 nan 8.210 nan 0.000 0.497 5870 A N 7.635 130.512 122.820 0.095 0.000 2.330 5870 A HA 0.856 5.175 4.320 -0.001 0.000 0.327 5870 A C -0.764 176.895 177.584 0.124 0.000 1.155 5870 A CA -0.583 51.502 52.037 0.080 0.000 0.803 5870 A CB 0.694 19.719 19.000 0.042 0.000 1.208 5870 A HN 0.652 nan 8.150 nan 0.000 0.477 5871 L N 3.337 124.623 121.223 0.106 0.000 2.298 5871 L HA 0.488 4.828 4.340 -0.001 0.000 0.284 5871 L C -0.823 176.092 176.870 0.074 0.000 1.013 5871 L CA -0.189 54.719 54.840 0.114 0.000 0.824 5871 L CB 1.170 43.280 42.059 0.085 0.000 1.221 5871 L HN 0.576 nan 8.230 nan 0.000 0.418 5872 L N 3.099 124.369 121.223 0.078 0.000 2.334 5872 L HA 0.451 4.790 4.340 -0.001 0.000 0.276 5872 L C 0.733 177.634 176.870 0.052 0.000 1.014 5872 L CA -0.379 54.493 54.840 0.053 0.000 0.815 5872 L CB 2.119 44.205 42.059 0.045 0.000 1.268 5872 L HN 0.587 nan 8.230 nan 0.000 0.428 5873 N N 0.481 119.204 118.700 0.037 0.000 2.348 5873 N HA 0.017 4.757 4.740 -0.001 0.000 0.183 5873 N C 0.351 175.878 175.510 0.028 0.000 1.094 5873 N CA -0.049 53.020 53.050 0.032 0.000 0.885 5873 N CB 0.571 39.072 38.487 0.023 0.000 1.065 5873 N HN 0.753 nan 8.380 nan 0.000 0.472 5874 C N 0.801 120.117 119.300 0.026 0.000 2.470 5874 C HA 0.854 5.314 4.460 -0.001 0.000 0.350 5874 C C 1.038 176.044 174.990 0.026 0.000 1.341 5874 C CA -1.258 57.774 59.018 0.023 0.000 2.440 5874 C CB -0.004 27.748 27.740 0.021 0.000 2.295 5874 C HN 0.324 nan 8.230 nan 0.000 0.645 5875 A N 0.763 123.598 122.820 0.024 0.000 2.340 5875 A HA 0.631 4.950 4.320 -0.001 0.000 0.268 5875 A C -0.009 177.592 177.584 0.028 0.000 1.100 5875 A CA -0.641 51.412 52.037 0.026 0.000 0.803 5875 A CB -0.083 18.931 19.000 0.023 0.000 1.043 5875 A HN 0.859 nan 8.150 nan 0.000 0.488 5876 I N 2.244 122.833 120.570 0.030 0.000 2.243 5876 I HA 0.205 4.374 4.170 -0.001 0.000 0.289 5876 I C 0.115 176.258 176.117 0.043 0.000 1.140 5876 I CA 0.471 61.793 61.300 0.036 0.000 1.289 5876 I CB -0.555 37.468 38.000 0.038 0.000 1.498 5876 I HN 0.716 nan 8.210 nan 0.000 0.561 5877 E N 3.532 123.755 120.200 0.039 0.000 2.450 5877 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 5877 E C -0.794 175.831 176.600 0.040 0.000 0.967 5877 E CA -1.120 55.304 56.400 0.040 0.000 0.818 5877 E CB 2.333 32.051 29.700 0.031 0.000 1.401 5877 E HN 0.123 nan 8.360 nan 0.000 0.450 5878 I N 2.310 122.905 120.570 0.041 0.000 2.406 5878 I HA 0.079 4.249 4.170 -0.001 0.000 0.293 5878 I C 0.506 176.642 176.117 0.031 0.000 1.101 5878 I CA 0.173 61.498 61.300 0.041 0.000 1.334 5878 I CB -0.517 37.511 38.000 0.046 0.000 1.421 5878 I HN 0.398 nan 8.210 nan 0.000 0.513 5879 K N 4.903 125.321 120.400 0.029 0.000 2.319 5879 K HA 0.085 4.404 4.320 -0.001 0.000 0.265 5879 K C -0.066 176.547 176.600 0.022 0.000 1.000 5879 K CA -0.201 56.100 56.287 0.023 0.000 0.943 5879 K CB 0.847 33.360 32.500 0.021 0.000 0.950 5879 K HN 0.460 nan 8.250 nan 0.000 0.485 5880 E N 1.417 121.626 120.200 0.016 0.000 2.207 5880 E HA 0.171 4.521 4.350 -0.001 0.000 0.270 5880 E C -1.057 175.551 176.600 0.013 0.000 0.927 5880 E CA -0.591 55.817 56.400 0.013 0.000 0.799 5880 E CB 1.359 31.064 29.700 0.007 0.000 1.172 5880 E HN 0.637 nan 8.360 nan 0.000 0.404 5881 T N 1.100 115.662 114.554 0.013 0.000 2.813 5881 T HA 0.178 4.528 4.350 -0.001 0.000 0.297 5881 T C 0.746 175.451 174.700 0.008 0.000 1.036 5881 T CA -0.379 61.728 62.100 0.012 0.000 1.044 5881 T CB 0.762 69.638 68.868 0.014 0.000 0.993 5881 T HN 0.417 nan 8.240 nan 0.000 0.535 5882 E N 0.335 120.540 120.200 0.008 0.000 2.047 5882 E HA 0.045 4.394 4.350 -0.001 0.000 0.191 5882 E C 1.238 177.841 176.600 0.005 0.000 0.987 5882 E CA 1.033 57.436 56.400 0.006 0.000 0.799 5882 E CB -0.586 29.118 29.700 0.006 0.000 0.752 5882 E HN 0.780 nan 8.360 nan 0.000 0.449 5883 T N 1.316 115.874 114.554 0.006 0.000 2.930 5883 T HA -0.006 4.344 4.350 -0.001 0.000 0.306 5883 T C -0.424 174.278 174.700 0.004 0.000 1.045 5883 T CA -0.690 61.413 62.100 0.005 0.000 1.134 5883 T CB 0.207 69.079 68.868 0.006 0.000 0.961 5883 T HN -0.120 nan 8.240 nan 0.000 0.545 5884 D N 2.828 123.229 120.400 0.001 0.000 2.425 5884 D HA 0.493 5.133 4.640 -0.001 0.000 0.247 5884 D C -0.244 176.055 176.300 -0.002 0.000 1.147 5884 D CA 0.458 54.458 54.000 -0.001 0.000 0.879 5884 D CB 0.869 41.667 40.800 -0.003 0.000 1.179 5884 D HN 0.758 nan 8.370 nan 0.000 0.456 5885 A N 2.639 125.455 122.820 -0.006 0.000 2.547 5885 A HA 0.584 4.904 4.320 -0.001 0.000 0.297 5885 A C -0.850 176.721 177.584 -0.022 0.000 1.056 5885 A CA -0.774 51.258 52.037 -0.008 0.000 0.688 5885 A CB 1.603 20.604 19.000 0.002 0.000 1.282 5885 A HN 0.463 nan 8.150 nan 0.000 0.400 5886 E N 0.928 121.108 120.200 -0.032 0.000 2.314 5886 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 5886 E C -1.428 175.119 176.600 -0.089 0.000 0.884 5886 E CA -0.850 55.514 56.400 -0.061 0.000 0.753 5886 E CB 2.311 31.981 29.700 -0.051 0.000 1.213 5886 E HN 0.498 nan 8.360 nan 0.000 0.432 5887 I N 2.201 122.669 120.570 -0.169 0.000 2.428 5887 I HA 0.153 4.322 4.170 -0.001 0.000 0.289 5887 I C 0.042 176.038 176.117 -0.202 0.000 1.019 5887 I CA -0.184 60.945 61.300 -0.285 0.000 1.351 5887 I CB 0.419 38.009 38.000 -0.683 0.000 1.412 5887 I HN 0.188 nan 8.210 nan 0.000 0.513 5888 R N 6.730 127.152 120.500 -0.130 0.000 2.310 5888 R HA 0.431 4.771 4.340 -0.001 0.000 0.316 5888 R C -0.992 175.296 176.300 -0.021 0.000 1.004 5888 R CA -0.765 55.299 56.100 -0.061 0.000 0.900 5888 R CB 0.856 31.144 30.300 -0.020 0.000 1.152 5888 R HN 0.409 nan 8.270 nan 0.000 0.513 5889 I N 3.046 123.595 120.570 -0.036 0.000 2.416 5889 I HA 0.059 4.228 4.170 -0.001 0.000 0.288 5889 I C 1.642 177.780 176.117 0.035 0.000 1.051 5889 I CA 0.320 61.635 61.300 0.026 0.000 1.375 5889 I CB 1.104 39.109 38.000 0.008 0.000 1.407 5889 I HN 0.520 nan 8.210 nan 0.000 0.516 5890 T N 0.020 114.610 114.554 0.059 0.000 3.040 5890 T HA 0.221 4.571 4.350 -0.001 0.000 0.266 5890 T C 0.261 174.985 174.700 0.040 0.000 1.005 5890 T CA -0.227 61.898 62.100 0.042 0.000 0.906 5890 T CB 0.565 69.458 68.868 0.042 0.000 1.082 5890 T HN 0.576 nan 8.240 nan 0.000 0.531 5891 D N 0.842 121.273 120.400 0.052 0.000 2.886 5891 D HA 0.257 4.897 4.640 -0.001 0.000 0.216 5891 D C -2.301 174.029 176.300 0.050 0.000 1.256 5891 D CA -1.690 52.336 54.000 0.043 0.000 0.844 5891 D CB 2.912 43.735 40.800 0.039 0.000 1.669 5891 D HN -0.242 nan 8.370 nan 0.000 0.513 5892 P HA -0.096 nan 4.420 nan 0.000 0.219 5892 P C 1.042 178.366 177.300 0.041 0.000 1.146 5892 P CA 0.833 63.955 63.100 0.036 0.000 0.808 5892 P CB 0.300 32.015 31.700 0.024 0.000 0.779 5893 A N 0.528 123.369 122.820 0.035 0.000 1.930 5893 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 5893 A C 2.394 180.002 177.584 0.040 0.000 1.175 5893 A CA 1.709 53.764 52.037 0.030 0.000 0.627 5893 A CB -1.071 17.940 19.000 0.017 0.000 0.815 5893 A HN 0.159 nan 8.150 nan 0.000 0.443 5894 K N -0.683 119.755 120.400 0.062 0.000 2.103 5894 K HA -0.074 4.246 4.320 -0.001 0.000 0.204 5894 K C 1.843 178.580 176.600 0.229 0.000 1.052 5894 K CA 1.125 57.476 56.287 0.107 0.000 0.945 5894 K CB -0.258 32.323 32.500 0.135 0.000 0.722 5894 K HN 0.305 nan 8.250 nan 0.000 0.443 5895 L N 1.091 122.420 121.223 0.178 0.000 2.043 5895 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 5895 L C 2.028 179.002 176.870 0.173 0.000 1.075 5895 L CA 1.761 56.706 54.840 0.175 0.000 0.752 5895 L CB -0.304 41.806 42.059 0.085 0.000 0.891 5895 L HN 0.282 nan 8.230 nan 0.000 0.432 5896 M N -1.160 118.506 119.600 0.109 0.000 2.254 5896 M HA -0.118 4.362 4.480 -0.001 0.000 0.265 5896 M C 2.128 178.462 176.300 0.056 0.000 1.066 5896 M CA 1.198 56.542 55.300 0.074 0.000 1.123 5896 M CB -1.033 31.592 32.600 0.043 0.000 1.388 5896 M HN 0.352 nan 8.290 nan 0.000 0.425 5897 E N -0.145 120.071 120.200 0.026 0.000 2.097 5897 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 5897 E C 1.865 178.379 176.600 -0.143 0.000 1.000 5897 E CA 1.401 57.747 56.400 -0.090 0.000 0.804 5897 E CB -0.204 29.387 29.700 -0.182 0.000 0.740 5897 E HN 0.400 nan 8.360 nan 0.000 0.454 5898 F N 0.422 120.378 119.950 0.010 0.000 2.163 5898 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 5898 F C 2.217 178.028 175.800 0.017 0.000 1.094 5898 F CA 0.645 58.652 58.000 0.012 0.000 1.290 5898 F CB -0.177 38.829 39.000 0.010 0.000 1.017 5898 F HN -0.047 nan 8.300 nan 0.000 0.483 5899 I N 0.191 120.884 120.570 0.205 0.000 2.194 5899 I HA -0.321 3.848 4.170 -0.001 0.000 0.246 5899 I C 2.055 178.229 176.117 0.094 0.000 1.093 5899 I CA 1.673 63.047 61.300 0.124 0.000 1.355 5899 I CB -0.458 37.595 38.000 0.089 0.000 1.046 5899 I HN 0.220 nan 8.210 nan 0.000 0.413 5900 E N -0.161 120.080 120.200 0.068 0.000 2.274 5900 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 5900 E C 2.025 178.648 176.600 0.038 0.000 0.996 5900 E CA 0.546 56.975 56.400 0.049 0.000 0.840 5900 E CB 0.020 29.733 29.700 0.022 0.000 0.772 5900 E HN 0.370 nan 8.360 nan 0.000 0.491 5901 Q N 1.150 120.968 119.800 0.030 0.000 2.137 5901 Q HA -0.147 4.193 4.340 -0.001 0.000 0.198 5901 Q C 1.432 177.465 176.000 0.054 0.000 0.960 5901 Q CA 1.329 57.142 55.803 0.017 0.000 0.847 5901 Q CB 0.203 28.933 28.738 -0.015 0.000 0.915 5901 Q HN 0.084 nan 8.270 nan 0.000 0.448 5902 E N 0.174 120.429 120.200 0.091 0.000 2.150 5902 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 5902 E C 1.670 178.339 176.600 0.114 0.000 0.985 5902 E CA 1.146 57.605 56.400 0.097 0.000 0.814 5902 E CB 0.066 29.828 29.700 0.103 0.000 0.752 5902 E HN 0.473 nan 8.360 nan 0.000 0.466 5903 E N 0.424 120.701 120.200 0.128 0.000 2.051 5903 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 5903 E C 1.963 178.622 176.600 0.098 0.000 0.991 5903 E CA 1.046 57.572 56.400 0.210 0.000 0.799 5903 E CB -0.058 29.761 29.700 0.198 0.000 0.748 5903 E HN 0.078 nan 8.360 nan 0.000 0.449 5904 K N 0.833 121.244 120.400 0.017 0.000 2.057 5904 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 5904 K C 2.234 178.789 176.600 -0.075 0.000 1.049 5904 K CA 1.189 57.437 56.287 -0.065 0.000 0.931 5904 K CB -0.062 32.415 32.500 -0.039 0.000 0.714 5904 K HN 0.078 nan 8.250 nan 0.000 0.440 5905 M N 0.767 120.359 119.600 -0.012 0.000 2.067 5905 M HA -0.187 4.293 4.480 -0.001 0.000 0.260 5905 M C 1.876 178.172 176.300 -0.007 0.000 1.069 5905 M CA 1.621 56.921 55.300 -0.001 0.000 1.117 5905 M CB -0.070 32.550 32.600 0.034 0.000 1.334 5905 M HN 0.182 nan 8.290 nan 0.000 0.407 5906 L N -0.010 121.237 121.223 0.041 0.000 2.083 5906 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 5906 L C 2.690 179.546 176.870 -0.022 0.000 1.083 5906 L CA 1.055 55.951 54.840 0.093 0.000 0.752 5906 L CB -0.920 41.289 42.059 0.251 0.000 0.899 5906 L HN 0.379 nan 8.230 nan 0.000 0.433 5907 K N 0.401 120.588 120.400 -0.355 0.000 2.097 5907 K HA -0.208 4.112 4.320 -0.001 0.000 0.206 5907 K C 1.401 177.826 176.600 -0.290 0.000 1.049 5907 K CA 1.732 57.597 56.287 -0.704 0.000 0.933 5907 K CB -0.091 31.849 32.500 -0.933 0.000 0.717 5907 K HN 0.277 nan 8.250 nan 0.000 0.442 5908 D N 0.289 120.585 120.400 -0.173 0.000 2.183 5908 D HA -0.093 4.546 4.640 -0.001 0.000 0.203 5908 D C 1.959 178.223 176.300 -0.060 0.000 0.969 5908 D CA 0.686 54.627 54.000 -0.098 0.000 0.842 5908 D CB 0.051 40.811 40.800 -0.067 0.000 0.957 5908 D HN 0.175 nan 8.370 nan 0.000 0.484 5909 M N 0.211 119.786 119.600 -0.043 0.000 2.132 5909 M HA -0.079 4.401 4.480 -0.001 0.000 0.263 5909 M C 2.250 178.545 176.300 -0.010 0.000 1.065 5909 M CA 0.708 56.001 55.300 -0.012 0.000 1.122 5909 M CB -0.733 31.875 32.600 0.013 0.000 1.365 5909 M HN -0.084 nan 8.290 nan 0.000 0.411 5910 V N 0.299 120.202 119.914 -0.017 0.000 2.453 5910 V HA -0.137 3.983 4.120 -0.001 0.000 0.247 5910 V C 2.669 178.744 176.094 -0.031 0.000 1.048 5910 V CA 1.544 63.839 62.300 -0.009 0.000 1.049 5910 V CB -1.233 30.602 31.823 0.020 0.000 0.672 5910 V HN 0.458 nan 8.190 nan 0.000 0.457 5911 A N -0.012 122.773 122.820 -0.059 0.000 1.972 5911 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 5911 A C 2.168 179.732 177.584 -0.034 0.000 1.169 5911 A CA 1.978 53.982 52.037 -0.054 0.000 0.635 5911 A CB -0.394 18.561 19.000 -0.075 0.000 0.810 5911 A HN 0.550 nan 8.150 nan 0.000 0.446 5912 E N 0.292 120.475 120.200 -0.028 0.000 2.072 5912 E HA -0.088 4.261 4.350 -0.001 0.000 0.190 5912 E C 1.684 178.278 176.600 -0.010 0.000 0.982 5912 E CA 1.198 57.588 56.400 -0.016 0.000 0.803 5912 E CB -0.359 29.334 29.700 -0.012 0.000 0.755 5912 E HN 0.635 nan 8.360 nan 0.000 0.453 5913 I N 0.295 120.860 120.570 -0.008 0.000 2.226 5913 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 5913 I C 2.299 178.412 176.117 -0.007 0.000 1.100 5913 I CA 1.268 62.565 61.300 -0.004 0.000 1.374 5913 I CB -0.250 37.747 38.000 -0.004 0.000 1.057 5913 I HN 0.068 nan 8.210 nan 0.000 0.413 5914 K N 1.579 121.971 120.400 -0.013 0.000 2.097 5914 K HA -0.107 4.213 4.320 -0.001 0.000 0.206 5914 K C 2.035 178.628 176.600 -0.012 0.000 1.049 5914 K CA 1.626 57.904 56.287 -0.014 0.000 0.933 5914 K CB -0.355 32.133 32.500 -0.020 0.000 0.717 5914 K HN 0.276 nan 8.250 nan 0.000 0.442 5915 A N -0.166 122.646 122.820 -0.013 0.000 1.933 5915 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 5915 A C 2.183 179.764 177.584 -0.005 0.000 1.175 5915 A CA 2.063 54.093 52.037 -0.010 0.000 0.628 5915 A CB -0.718 18.274 19.000 -0.012 0.000 0.814 5915 A HN 0.354 nan 8.150 nan 0.000 0.444 5916 S N -1.793 113.905 115.700 -0.003 0.000 2.423 5916 S HA 0.233 4.703 4.470 -0.001 0.000 0.231 5916 S C 1.533 176.135 174.600 0.004 0.000 1.014 5916 S CA 1.256 59.458 58.200 0.002 0.000 0.965 5916 S CB -0.122 63.082 63.200 0.006 0.000 0.785 5916 S HN 1.683 nan 8.310 nan 0.000 0.495 5917 G N 0.580 109.381 108.800 0.001 0.000 2.168 5917 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.197 5917 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.197 5917 G C 0.085 174.987 174.900 0.003 0.000 0.997 5917 G CA -0.179 44.922 45.100 0.002 0.000 0.658 5917 G HN 0.804 nan 8.290 nan 0.000 0.513 5918 A N 0.259 123.080 122.820 0.003 0.000 2.407 5918 A HA 0.639 4.959 4.320 -0.001 0.000 0.248 5918 A C 0.937 178.517 177.584 -0.007 0.000 1.082 5918 A CA 0.940 52.978 52.037 0.003 0.000 0.785 5918 A CB 0.252 19.255 19.000 0.005 0.000 1.020 5918 A HN 1.295 nan 8.150 nan 0.000 0.489 5919 N N -0.633 118.061 118.700 -0.011 0.000 2.036 5919 N HA 0.202 4.941 4.740 -0.001 0.000 0.228 5919 N C -0.958 174.525 175.510 -0.045 0.000 1.368 5919 N CA 0.054 53.089 53.050 -0.024 0.000 0.846 5919 N CB 0.483 38.962 38.487 -0.015 0.000 1.145 5919 N HN 0.268 nan 8.380 nan 0.000 0.502 5920 V N 1.519 121.403 119.914 -0.050 0.000 2.656 5920 V HA 0.561 4.680 4.120 -0.001 0.000 0.307 5920 V C -1.145 174.860 176.094 -0.148 0.000 1.051 5920 V CA -0.770 61.456 62.300 -0.122 0.000 0.893 5920 V CB 2.402 34.196 31.823 -0.048 0.000 0.999 5920 V HN 0.230 nan 8.190 nan 0.000 0.426 5921 L N 5.462 126.497 121.223 -0.312 0.000 2.441 5921 L HA 0.614 4.954 4.340 -0.001 0.000 0.270 5921 L C -1.926 174.707 176.870 -0.394 0.000 0.973 5921 L CA -0.104 54.604 54.840 -0.220 0.000 0.842 5921 L CB 1.599 43.589 42.059 -0.115 0.000 1.239 5921 L HN 0.598 nan 8.230 nan 0.000 0.406 5922 F N 4.392 124.346 119.950 0.006 0.000 2.402 5922 F HA 0.360 4.887 4.527 -0.001 0.000 0.355 5922 F C 0.398 176.200 175.800 0.005 0.000 1.123 5922 F CA -0.479 57.524 58.000 0.004 0.000 1.021 5922 F CB 1.490 40.490 39.000 -0.001 0.000 1.160 5922 F HN 0.437 nan 8.300 nan 0.000 0.451 5923 C N 5.190 124.577 119.300 0.145 0.000 2.281 5923 C HA 0.220 4.680 4.460 -0.001 0.000 0.325 5923 C C 1.626 176.669 174.990 0.088 0.000 1.282 5923 C CA -0.473 58.599 59.018 0.091 0.000 1.640 5923 C CB 0.648 28.417 27.740 0.050 0.000 2.288 5923 C HN 0.960 nan 8.230 nan 0.000 0.507 5924 Q N 3.532 123.374 119.800 0.070 0.000 2.170 5924 Q HA -0.063 4.277 4.340 -0.001 0.000 0.203 5924 Q C 0.752 176.775 176.000 0.038 0.000 0.976 5924 Q CA 1.632 57.465 55.803 0.049 0.000 0.858 5924 Q CB 0.188 28.946 28.738 0.034 0.000 0.907 5924 Q HN 0.761 nan 8.270 nan 0.000 0.433 5925 K N -1.161 119.261 120.400 0.036 0.000 2.632 5925 K HA 0.446 4.765 4.320 -0.001 0.000 0.267 5925 K C 0.319 176.937 176.600 0.030 0.000 1.028 5925 K CA -0.202 56.102 56.287 0.028 0.000 1.045 5925 K CB 0.188 32.703 32.500 0.024 0.000 1.400 5925 K HN 0.112 nan 8.250 nan 0.000 0.522 5926 G N 0.261 109.076 108.800 0.024 0.000 2.599 5926 G HA2 0.436 4.396 3.960 -0.001 0.000 0.264 5926 G HA3 0.436 4.396 3.960 -0.001 0.000 0.264 5926 G C -0.529 174.385 174.900 0.023 0.000 1.200 5926 G CA -0.527 44.586 45.100 0.022 0.000 0.896 5926 G HN 0.367 nan 8.290 nan 0.000 0.536 5927 I N 0.245 120.828 120.570 0.021 0.000 2.499 5927 I HA 0.169 4.339 4.170 -0.001 0.000 0.288 5927 I C -0.493 175.637 176.117 0.022 0.000 1.048 5927 I CA -0.789 60.525 61.300 0.023 0.000 1.062 5927 I CB 2.157 40.168 38.000 0.017 0.000 1.238 5927 I HN 0.429 nan 8.210 nan 0.000 0.426 5928 D N 5.314 125.733 120.400 0.031 0.000 2.443 5928 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 5928 D C 0.756 177.066 176.300 0.018 0.000 1.136 5928 D CA 0.062 54.079 54.000 0.028 0.000 0.879 5928 D CB 1.330 42.156 40.800 0.043 0.000 1.195 5928 D HN 0.639 nan 8.370 nan 0.000 0.443 5929 D N 3.566 123.967 120.400 0.002 0.000 2.158 5929 D HA -0.257 4.383 4.640 -0.001 0.000 0.197 5929 D C 1.955 178.234 176.300 -0.036 0.000 0.995 5929 D CA 0.777 54.768 54.000 -0.015 0.000 0.846 5929 D CB -0.372 40.413 40.800 -0.024 0.000 0.941 5929 D HN 0.362 nan 8.370 nan 0.000 0.456 5930 L N 0.559 121.754 121.223 -0.048 0.000 2.072 5930 L HA 0.148 4.488 4.340 -0.001 0.000 0.205 5930 L C 2.377 179.161 176.870 -0.144 0.000 1.079 5930 L CA 1.859 56.618 54.840 -0.135 0.000 0.752 5930 L CB -0.990 41.019 42.059 -0.085 0.000 0.906 5930 L HN 0.103 nan 8.230 nan 0.000 0.436 5931 A N -1.130 121.719 122.820 0.048 0.000 1.972 5931 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 5931 A C 2.165 179.805 177.584 0.093 0.000 1.169 5931 A CA 1.729 53.865 52.037 0.166 0.000 0.635 5931 A CB -0.520 18.562 19.000 0.136 0.000 0.810 5931 A HN 0.666 nan 8.150 nan 0.000 0.446 5932 Q N -1.653 118.168 119.800 0.035 0.000 2.124 5932 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 5932 Q C 2.045 178.055 176.000 0.016 0.000 0.977 5932 Q CA 1.681 57.495 55.803 0.020 0.000 0.850 5932 Q CB -0.317 28.427 28.738 0.011 0.000 0.901 5932 Q HN 0.933 nan 8.270 nan 0.000 0.429 5933 H N -0.392 118.609 119.070 -0.115 0.000 2.353 5933 H HA -0.172 4.384 4.556 -0.001 0.000 0.300 5933 H C 1.355 176.631 175.328 -0.087 0.000 1.090 5933 H CA 1.715 57.672 56.048 -0.151 0.000 1.327 5933 H CB -0.078 29.519 29.762 -0.275 0.000 1.383 5933 H HN 0.224 nan 8.280 nan 0.000 0.508 5934 Y N 0.176 120.453 120.300 -0.039 0.000 2.224 5934 Y HA -0.132 4.417 4.550 -0.001 0.000 0.289 5934 Y C 2.565 178.402 175.900 -0.104 0.000 1.146 5934 Y CA 1.037 59.083 58.100 -0.089 0.000 1.182 5934 Y CB -0.642 37.815 38.460 -0.004 0.000 0.983 5934 Y HN 0.219 nan 8.280 nan 0.000 0.524 5935 L N -1.036 120.235 121.223 0.079 0.000 2.046 5935 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 5935 L C 2.641 179.490 176.870 -0.035 0.000 1.077 5935 L CA 1.237 56.086 54.840 0.014 0.000 0.747 5935 L CB -0.831 41.230 42.059 0.003 0.000 0.896 5935 L HN 0.183 nan 8.230 nan 0.000 0.432 5936 A N -0.122 122.657 122.820 -0.069 0.000 1.930 5936 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 5936 A C 2.368 179.880 177.584 -0.119 0.000 1.175 5936 A CA 1.823 53.805 52.037 -0.092 0.000 0.627 5936 A CB -0.425 18.517 19.000 -0.096 0.000 0.815 5936 A HN 0.328 nan 8.150 nan 0.000 0.443 5937 K N -0.425 119.867 120.400 -0.180 0.000 2.147 5937 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 5937 K C 1.032 177.596 176.600 -0.059 0.000 1.049 5937 K CA 1.485 57.686 56.287 -0.143 0.000 0.936 5937 K CB 0.004 32.420 32.500 -0.140 0.000 0.722 5937 K HN 0.335 nan 8.250 nan 0.000 0.446 5938 E N -0.718 119.459 120.200 -0.039 0.000 2.479 5938 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 5938 E C 0.688 177.271 176.600 -0.028 0.000 1.049 5938 E CA 0.665 57.050 56.400 -0.026 0.000 0.870 5938 E CB 0.827 30.516 29.700 -0.018 0.000 0.944 5938 E HN 0.538 nan 8.360 nan 0.000 0.492 5939 G N 1.925 110.703 108.800 -0.036 0.000 2.147 5939 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 5939 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 5939 G C 0.228 175.108 174.900 -0.034 0.000 1.005 5939 G CA 0.100 45.180 45.100 -0.032 0.000 0.713 5939 G HN 0.271 nan 8.290 nan 0.000 0.515 5940 I N 1.136 121.683 120.570 -0.040 0.000 2.325 5940 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 5940 I C 1.073 177.151 176.117 -0.066 0.000 1.019 5940 I CA -1.053 60.217 61.300 -0.049 0.000 1.302 5940 I CB 1.491 39.465 38.000 -0.043 0.000 1.401 5940 I HN 0.153 nan 8.210 nan 0.000 0.485 5941 V N 3.910 123.773 119.914 -0.085 0.000 2.546 5941 V HA 0.905 5.025 4.120 -0.001 0.000 0.284 5941 V C 0.094 176.071 176.094 -0.195 0.000 1.050 5941 V CA -0.253 61.980 62.300 -0.113 0.000 0.981 5941 V CB 1.100 32.864 31.823 -0.098 0.000 0.990 5941 V HN 0.833 nan 8.190 nan 0.000 0.474 5942 A N 3.536 126.242 122.820 -0.191 0.000 2.549 5942 A HA 1.015 5.335 4.320 -0.001 0.000 0.297 5942 A C -0.399 177.067 177.584 -0.196 0.000 1.061 5942 A CA -0.288 51.606 52.037 -0.238 0.000 0.690 5942 A CB 1.819 20.739 19.000 -0.133 0.000 1.287 5942 A HN 2.381 nan 8.150 nan 0.000 0.402 5943 A N 1.390 124.078 122.820 -0.220 0.000 2.449 5943 A HA 0.847 5.167 4.320 -0.001 0.000 0.302 5943 A C -0.302 177.295 177.584 0.022 0.000 1.048 5943 A CA -0.607 51.398 52.037 -0.052 0.000 0.708 5943 A CB 1.157 20.183 19.000 0.045 0.000 1.274 5943 A HN 1.403 nan 8.150 nan 0.000 0.410 5944 R N 1.389 121.911 120.500 0.037 0.000 2.832 5944 R HA 0.795 5.134 4.340 -0.001 0.000 0.271 5944 R C -0.471 175.860 176.300 0.052 0.000 0.996 5944 R CA -0.768 55.359 56.100 0.044 0.000 0.977 5944 R CB 0.801 31.116 30.300 0.025 0.000 1.168 5944 R HN 0.577 nan 8.270 nan 0.000 0.482 5945 R N -0.135 120.394 120.500 0.048 0.000 3.532 5945 R HA -0.097 4.243 4.340 -0.001 0.000 0.284 5945 R C -0.773 175.553 176.300 0.043 0.000 1.140 5945 R CA 0.602 56.724 56.100 0.038 0.000 0.768 5945 R CB -2.349 27.967 30.300 0.027 0.000 1.252 5945 R HN 0.548 nan 8.270 nan 0.000 0.454 5946 V N 1.495 121.447 119.914 0.064 0.000 2.637 5946 V HA 0.063 4.183 4.120 -0.001 0.000 0.296 5946 V C 1.426 177.531 176.094 0.018 0.000 1.046 5946 V CA -0.113 62.221 62.300 0.057 0.000 1.066 5946 V CB 1.334 33.218 31.823 0.101 0.000 0.968 5946 V HN 0.137 nan 8.190 nan 0.000 0.483 5947 K N 4.150 124.548 120.400 -0.004 0.000 2.448 5947 K HA 0.029 4.349 4.320 -0.001 0.000 0.278 5947 K C 1.387 177.974 176.600 -0.022 0.000 1.009 5947 K CA -0.242 56.036 56.287 -0.014 0.000 0.995 5947 K CB 0.356 32.841 32.500 -0.025 0.000 0.917 5947 K HN 0.609 nan 8.250 nan 0.000 0.481 5948 K N 2.139 122.530 120.400 -0.014 0.000 2.074 5948 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 5948 K C 1.767 178.350 176.600 -0.028 0.000 1.048 5948 K CA 1.953 58.231 56.287 -0.016 0.000 0.926 5948 K CB -0.229 32.266 32.500 -0.009 0.000 0.713 5948 K HN 0.683 nan 8.250 nan 0.000 0.444 5949 S N 1.040 116.721 115.700 -0.031 0.000 2.370 5949 S HA -0.163 4.306 4.470 -0.001 0.000 0.226 5949 S C 1.378 175.941 174.600 -0.061 0.000 1.033 5949 S CA 1.794 59.970 58.200 -0.040 0.000 1.011 5949 S CB -0.216 62.962 63.200 -0.036 0.000 0.852 5949 S HN 0.303 nan 8.310 nan 0.000 0.457 5950 D N 0.836 121.191 120.400 -0.076 0.000 2.144 5950 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 5950 D C 2.000 178.207 176.300 -0.155 0.000 0.984 5950 D CA 0.922 54.849 54.000 -0.123 0.000 0.834 5950 D CB -0.252 40.471 40.800 -0.130 0.000 0.955 5950 D HN 0.384 nan 8.370 nan 0.000 0.465 5951 M N 0.450 119.986 119.600 -0.107 0.000 2.175 5951 M HA -0.081 4.398 4.480 -0.001 0.000 0.264 5951 M C 1.902 178.156 176.300 -0.077 0.000 1.063 5951 M CA 1.191 56.437 55.300 -0.091 0.000 1.119 5951 M CB -0.775 31.805 32.600 -0.033 0.000 1.377 5951 M HN 0.111 nan 8.290 nan 0.000 0.415 5952 E N 0.090 120.253 120.200 -0.061 0.000 2.072 5952 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 5952 E C 2.061 178.628 176.600 -0.056 0.000 0.982 5952 E CA 0.838 57.211 56.400 -0.046 0.000 0.803 5952 E CB -0.007 29.672 29.700 -0.034 0.000 0.755 5952 E HN 0.500 nan 8.360 nan 0.000 0.453 5953 K N 0.648 121.004 120.400 -0.075 0.000 2.097 5953 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 5953 K C 2.200 178.745 176.600 -0.091 0.000 1.049 5953 K CA 0.809 57.050 56.287 -0.077 0.000 0.933 5953 K CB -0.088 32.358 32.500 -0.090 0.000 0.717 5953 K HN 0.111 nan 8.250 nan 0.000 0.442 5954 L N 0.506 121.648 121.223 -0.135 0.000 2.083 5954 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 5954 L C 2.585 179.412 176.870 -0.072 0.000 1.083 5954 L CA 1.084 55.834 54.840 -0.149 0.000 0.752 5954 L CB -0.547 41.347 42.059 -0.273 0.000 0.899 5954 L HN 0.198 nan 8.230 nan 0.000 0.433 5955 A N -0.270 122.519 122.820 -0.052 0.000 1.898 5955 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 5955 A C 2.340 179.917 177.584 -0.012 0.000 1.181 5955 A CA 1.319 53.344 52.037 -0.020 0.000 0.620 5955 A CB -0.241 18.750 19.000 -0.015 0.000 0.819 5955 A HN 0.187 nan 8.150 nan 0.000 0.442 5956 K N -0.007 120.381 120.400 -0.020 0.000 2.002 5956 K HA -0.063 4.257 4.320 -0.001 0.000 0.209 5956 K C 2.342 178.941 176.600 -0.002 0.000 1.048 5956 K CA 1.442 57.722 56.287 -0.011 0.000 0.930 5956 K CB -0.876 31.614 32.500 -0.016 0.000 0.714 5956 K HN 0.435 nan 8.250 nan 0.000 0.438 5957 A N 1.271 124.085 122.820 -0.011 0.000 1.841 5957 A HA -0.147 4.173 4.320 -0.001 0.000 0.214 5957 A C 2.380 179.972 177.584 0.014 0.000 1.195 5957 A CA 2.729 54.766 52.037 -0.001 0.000 0.611 5957 A CB -1.075 17.916 19.000 -0.016 0.000 0.835 5957 A HN 0.517 nan 8.150 nan 0.000 0.443 5958 T N -4.479 110.081 114.554 0.010 0.000 3.043 5958 T HA 0.369 4.718 4.350 -0.001 0.000 0.263 5958 T C 1.490 176.209 174.700 0.032 0.000 1.094 5958 T CA 1.251 63.366 62.100 0.025 0.000 1.127 5958 T CB -0.068 68.819 68.868 0.032 0.000 0.905 5958 T HN 1.833 nan 8.240 nan 0.000 0.490 5959 G N 1.468 110.282 108.800 0.025 0.000 2.143 5959 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.249 5959 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.249 5959 G C 0.280 175.195 174.900 0.025 0.000 0.981 5959 G CA -0.004 45.112 45.100 0.026 0.000 0.665 5959 G HN 1.184 nan 8.290 nan 0.000 0.528 5960 A N -0.285 122.551 122.820 0.027 0.000 2.445 5960 A HA 0.561 4.880 4.320 -0.001 0.000 0.242 5960 A C 0.428 178.028 177.584 0.026 0.000 1.075 5960 A CA 0.670 52.729 52.037 0.035 0.000 0.777 5960 A CB 0.391 19.423 19.000 0.052 0.000 1.013 5960 A HN 0.884 nan 8.150 nan 0.000 0.493 5961 N N 1.488 120.206 118.700 0.030 0.000 2.417 5961 N HA 0.375 5.114 4.740 -0.001 0.000 0.274 5961 N C -1.008 174.518 175.510 0.027 0.000 0.987 5961 N CA -0.420 52.644 53.050 0.023 0.000 0.912 5961 N CB 1.374 39.873 38.487 0.020 0.000 1.177 5961 N HN 0.283 nan 8.380 nan 0.000 0.490 5962 V N 4.816 124.743 119.914 0.022 0.000 2.485 5962 V HA 0.177 4.297 4.120 -0.001 0.000 0.287 5962 V C 0.335 176.443 176.094 0.022 0.000 1.022 5962 V CA -0.071 62.244 62.300 0.025 0.000 1.067 5962 V CB -0.114 31.718 31.823 0.016 0.000 0.967 5962 V HN 0.516 nan 8.190 nan 0.000 0.479 5963 I N 4.126 124.712 120.570 0.027 0.000 2.404 5963 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 5963 I C 1.026 177.156 176.117 0.022 0.000 0.992 5963 I CA -0.369 60.944 61.300 0.022 0.000 1.149 5963 I CB 1.407 39.420 38.000 0.022 0.000 1.315 5963 I HN 0.626 nan 8.210 nan 0.000 0.446 5964 A N 5.382 128.212 122.820 0.017 0.000 1.872 5964 A HA 0.312 4.632 4.320 -0.001 0.000 0.214 5964 A C 1.111 178.706 177.584 0.017 0.000 1.187 5964 A CA 1.118 53.165 52.037 0.016 0.000 0.614 5964 A CB -0.038 18.970 19.000 0.013 0.000 0.826 5964 A HN 0.734 nan 8.150 nan 0.000 0.442 5965 A N -0.905 121.924 122.820 0.015 0.000 2.317 5965 A HA 0.654 4.974 4.320 -0.001 0.000 0.327 5965 A C 0.768 178.361 177.584 0.015 0.000 1.178 5965 A CA -0.599 51.446 52.037 0.015 0.000 0.817 5965 A CB 0.422 19.429 19.000 0.012 0.000 1.189 5965 A HN 0.306 nan 8.150 nan 0.000 0.489 5966 I N 1.900 122.479 120.570 0.015 0.000 2.264 5966 I HA -0.311 3.859 4.170 -0.001 0.000 0.248 5966 I C 2.754 178.877 176.117 0.010 0.000 1.111 5966 I CA 1.796 63.104 61.300 0.014 0.000 1.382 5966 I CB -0.207 37.802 38.000 0.014 0.000 1.060 5966 I HN 0.760 nan 8.210 nan 0.000 0.418 5967 A N 0.660 123.485 122.820 0.009 0.000 1.972 5967 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 5967 A C 2.422 180.010 177.584 0.006 0.000 1.169 5967 A CA 1.726 53.766 52.037 0.006 0.000 0.635 5967 A CB -0.657 18.346 19.000 0.006 0.000 0.810 5967 A HN 0.448 nan 8.150 nan 0.000 0.446 5968 A N -0.703 122.122 122.820 0.009 0.000 2.206 5968 A HA 0.341 4.660 4.320 -0.001 0.000 0.211 5968 A C 0.916 178.506 177.584 0.010 0.000 1.158 5968 A CA -0.123 51.919 52.037 0.009 0.000 0.761 5968 A CB -0.494 18.512 19.000 0.010 0.000 0.801 5968 A HN 0.457 nan 8.150 nan 0.000 0.473 5969 L N 1.525 122.754 121.223 0.010 0.000 2.490 5969 L HA 0.194 4.534 4.340 -0.001 0.000 0.274 5969 L C 0.719 177.594 176.870 0.009 0.000 1.201 5969 L CA 0.166 55.012 54.840 0.011 0.000 0.869 5969 L CB 0.563 42.629 42.059 0.011 0.000 1.123 5969 L HN 0.470 nan 8.230 nan 0.000 0.484 5970 S N 1.316 117.022 115.700 0.010 0.000 2.651 5970 S HA 0.612 5.081 4.470 -0.001 0.000 0.279 5970 S C 0.438 175.044 174.600 0.011 0.000 1.148 5970 S CA -0.283 57.922 58.200 0.009 0.000 0.837 5970 S CB 1.652 64.856 63.200 0.008 0.000 1.138 5970 S HN 0.598 nan 8.310 nan 0.000 0.478 5971 A N 0.589 123.414 122.820 0.009 0.000 1.978 5971 A HA -0.067 4.252 4.320 -0.001 0.000 0.220 5971 A C 1.947 179.539 177.584 0.014 0.000 1.170 5971 A CA 1.331 53.374 52.037 0.011 0.000 0.636 5971 A CB -0.844 18.161 19.000 0.009 0.000 0.810 5971 A HN 0.730 nan 8.150 nan 0.000 0.448 5972 Q N 0.122 119.929 119.800 0.013 0.000 2.436 5972 Q HA -0.091 4.249 4.340 -0.001 0.000 0.209 5972 Q C 0.389 176.399 176.000 0.017 0.000 0.965 5972 Q CA 0.938 56.750 55.803 0.014 0.000 0.910 5972 Q CB -0.190 28.555 28.738 0.011 0.000 0.980 5972 Q HN 0.658 nan 8.270 nan 0.000 0.491 5973 D N -0.182 120.229 120.400 0.018 0.000 2.339 5973 D HA 0.083 4.723 4.640 -0.001 0.000 0.217 5973 D C 0.407 176.724 176.300 0.028 0.000 1.050 5973 D CA 0.104 54.117 54.000 0.022 0.000 0.856 5973 D CB 0.605 41.418 40.800 0.021 0.000 0.922 5973 D HN 0.197 nan 8.370 nan 0.000 0.518 5974 L N 0.777 122.016 121.223 0.028 0.000 2.371 5974 L HA 0.430 4.769 4.340 -0.001 0.000 0.272 5974 L C 1.121 178.013 176.870 0.036 0.000 1.124 5974 L CA -0.530 54.330 54.840 0.034 0.000 0.816 5974 L CB 1.392 43.468 42.059 0.029 0.000 1.129 5974 L HN -0.137 nan 8.230 nan 0.000 0.448 5975 G N 1.119 109.946 108.800 0.045 0.000 2.471 5975 G HA2 0.481 4.440 3.960 -0.001 0.000 0.332 5975 G HA3 0.481 4.440 3.960 -0.001 0.000 0.332 5975 G C -1.247 173.680 174.900 0.046 0.000 1.176 5975 G CA -0.459 44.667 45.100 0.044 0.000 0.949 5975 G HN 0.520 nan 8.290 nan 0.000 0.488 5976 D N -0.178 120.247 120.400 0.040 0.000 2.248 5976 D HA 0.620 5.260 4.640 -0.001 0.000 0.246 5976 D C -0.286 176.033 176.300 0.033 0.000 1.027 5976 D CA 0.042 54.063 54.000 0.034 0.000 0.853 5976 D CB 2.137 42.952 40.800 0.026 0.000 1.243 5976 D HN 0.580 nan 8.370 nan 0.000 0.462 5977 A N 0.428 123.269 122.820 0.035 0.000 2.486 5977 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 5977 A C 0.928 178.528 177.584 0.026 0.000 1.048 5977 A CA -0.420 51.638 52.037 0.035 0.000 0.696 5977 A CB 1.718 20.755 19.000 0.062 0.000 1.278 5977 A HN 0.500 nan 8.150 nan 0.000 0.405 5978 G N 0.222 109.032 108.800 0.016 0.000 2.404 5978 G HA2 0.291 4.250 3.960 -0.001 0.000 0.215 5978 G HA3 0.291 4.250 3.960 -0.001 0.000 0.215 5978 G C 0.305 175.217 174.900 0.021 0.000 1.174 5978 G CA 1.681 46.786 45.100 0.009 0.000 0.780 5978 G HN 1.158 nan 8.290 nan 0.000 0.537 5979 L N -0.047 121.197 121.223 0.036 0.000 2.493 5979 L HA 0.647 4.986 4.340 -0.001 0.000 0.265 5979 L C -1.355 175.563 176.870 0.079 0.000 0.954 5979 L CA -0.806 54.061 54.840 0.046 0.000 0.844 5979 L CB 2.577 44.656 42.059 0.033 0.000 1.302 5979 L HN -0.121 nan 8.230 nan 0.000 0.405 5980 V N 4.428 124.392 119.914 0.084 0.000 2.376 5980 V HA 0.639 4.758 4.120 -0.001 0.000 0.287 5980 V C -0.538 175.620 176.094 0.106 0.000 1.015 5980 V CA -0.441 61.932 62.300 0.122 0.000 0.834 5980 V CB 1.422 33.321 31.823 0.128 0.000 1.001 5980 V HN 0.829 nan 8.190 nan 0.000 0.428 5981 E N 3.154 123.441 120.200 0.145 0.000 2.308 5981 E HA 0.388 4.738 4.350 -0.001 0.000 0.275 5981 E C -1.020 175.686 176.600 0.177 0.000 0.890 5981 E CA -0.655 55.817 56.400 0.119 0.000 0.754 5981 E CB 2.194 31.938 29.700 0.073 0.000 1.207 5981 E HN 0.751 nan 8.360 nan 0.000 0.426 5982 E N 4.330 124.604 120.200 0.123 0.000 2.152 5982 E HA 0.237 4.587 4.350 -0.001 0.000 0.285 5982 E C -0.907 175.769 176.600 0.127 0.000 1.043 5982 E CA -0.207 56.273 56.400 0.133 0.000 0.839 5982 E CB 0.679 30.425 29.700 0.078 0.000 1.069 5982 E HN 0.351 nan 8.360 nan 0.000 0.399 5983 R N 3.702 124.322 120.500 0.199 0.000 2.686 5983 R HA 0.396 4.735 4.340 -0.001 0.000 0.283 5983 R C -0.819 175.578 176.300 0.162 0.000 0.978 5983 R CA -0.908 55.281 56.100 0.148 0.000 0.897 5983 R CB 2.021 32.382 30.300 0.101 0.000 1.192 5983 R HN 0.333 nan 8.270 nan 0.000 0.457 5984 K N 2.684 123.141 120.400 0.094 0.000 2.367 5984 K HA 0.406 4.725 4.320 -0.001 0.000 0.263 5984 K C -0.884 175.759 176.600 0.071 0.000 1.000 5984 K CA -0.489 55.846 56.287 0.080 0.000 0.891 5984 K CB 1.213 33.742 32.500 0.049 0.000 1.117 5984 K HN 0.290 nan 8.250 nan 0.000 0.443 5985 I N 1.687 122.312 120.570 0.092 0.000 2.382 5985 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 5985 I C 0.574 176.723 176.117 0.054 0.000 1.002 5985 I CA -0.054 61.292 61.300 0.076 0.000 1.135 5985 I CB 1.907 39.978 38.000 0.118 0.000 1.288 5985 I HN 0.666 nan 8.210 nan 0.000 0.448 5986 S N 4.432 120.154 115.700 0.036 0.000 3.672 5986 S HA -0.181 4.288 4.470 -0.001 0.000 0.319 5986 S C 1.263 175.877 174.600 0.022 0.000 1.151 5986 S CA 1.370 59.584 58.200 0.025 0.000 0.911 5986 S CB -1.248 61.966 63.200 0.023 0.000 0.939 5986 S HN 1.697 nan 8.310 nan 0.000 0.524 5987 G N -0.019 108.796 108.800 0.024 0.000 2.383 5987 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.229 5987 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.229 5987 G C -0.294 174.621 174.900 0.026 0.000 1.089 5987 G CA 0.290 45.403 45.100 0.021 0.000 0.640 5987 G HN 0.688 nan 8.290 nan 0.000 0.510 5988 D N 1.269 121.686 120.400 0.029 0.000 2.345 5988 D HA 0.471 5.110 4.640 -0.001 0.000 0.247 5988 D C 0.446 176.773 176.300 0.045 0.000 1.108 5988 D CA 0.646 54.664 54.000 0.029 0.000 0.894 5988 D CB 1.573 42.386 40.800 0.021 0.000 1.203 5988 D HN 0.259 nan 8.370 nan 0.000 0.430 5989 S N 2.050 117.774 115.700 0.041 0.000 2.523 5989 S HA 0.482 4.951 4.470 -0.001 0.000 0.275 5989 S C -0.132 174.499 174.600 0.050 0.000 1.281 5989 S CA -0.729 57.505 58.200 0.056 0.000 1.050 5989 S CB 0.047 63.275 63.200 0.046 0.000 0.937 5989 S HN 0.406 nan 8.310 nan 0.000 0.492 5990 M N 4.537 124.184 119.600 0.078 0.000 2.421 5990 M HA 0.524 5.003 4.480 -0.001 0.000 0.287 5990 M C -1.867 174.471 176.300 0.064 0.000 1.183 5990 M CA -0.642 54.666 55.300 0.013 0.000 0.916 5990 M CB 1.085 33.638 32.600 -0.080 0.000 1.701 5990 M HN 0.419 nan 8.290 nan 0.000 0.470 5991 I N 2.921 123.495 120.570 0.006 0.000 2.336 5991 I HA 0.421 4.591 4.170 -0.001 0.000 0.292 5991 I C -1.169 174.929 176.117 -0.033 0.000 0.991 5991 I CA -0.392 60.974 61.300 0.110 0.000 1.227 5991 I CB 1.112 39.231 38.000 0.199 0.000 1.366 5991 I HN 0.503 nan 8.210 nan 0.000 0.466 5992 F N 5.827 125.814 119.950 0.063 0.000 2.391 5992 F HA 0.352 4.879 4.527 -0.001 0.000 0.359 5992 F C 0.137 175.971 175.800 0.056 0.000 1.122 5992 F CA -0.648 57.378 58.000 0.042 0.000 1.120 5992 F CB 1.290 40.306 39.000 0.027 0.000 1.142 5992 F HN 0.031 nan 8.300 nan 0.000 0.483 5993 V N 4.381 124.386 119.914 0.152 0.000 2.293 5993 V HA 0.352 4.471 4.120 -0.001 0.000 0.275 5993 V C -0.307 175.846 176.094 0.098 0.000 1.021 5993 V CA -0.559 61.812 62.300 0.118 0.000 0.815 5993 V CB 0.486 32.348 31.823 0.066 0.000 1.025 5993 V HN 0.824 nan 8.190 nan 0.000 0.448 5994 E N 3.046 123.310 120.200 0.107 0.000 2.433 5994 E HA 0.644 4.994 4.350 -0.001 0.000 0.273 5994 E C -0.690 175.938 176.600 0.048 0.000 0.950 5994 E CA -0.871 55.578 56.400 0.083 0.000 0.796 5994 E CB 1.619 31.385 29.700 0.110 0.000 1.330 5994 E HN 0.194 nan 8.360 nan 0.000 0.455 5995 E N -0.956 119.261 120.200 0.028 0.000 2.553 5995 E HA -0.161 4.189 4.350 -0.001 0.000 0.264 5995 E C -0.491 176.103 176.600 -0.010 0.000 1.068 5995 E CA 0.677 57.080 56.400 0.005 0.000 0.774 5995 E CB -2.478 27.224 29.700 0.004 0.000 1.349 5995 E HN 0.593 nan 8.360 nan 0.000 0.404 5996 C N 0.470 119.766 119.300 -0.007 0.000 2.705 5996 C HA 0.072 4.531 4.460 -0.001 0.000 0.382 5996 C C 2.362 177.308 174.990 -0.073 0.000 1.322 5996 C CA -0.067 58.940 59.018 -0.018 0.000 2.290 5996 C CB 0.424 28.165 27.740 0.002 0.000 2.650 5996 C HN 0.408 nan 8.230 nan 0.000 0.695 5997 K N 0.300 120.638 120.400 -0.103 0.000 1.969 5997 K HA -0.106 4.214 4.320 -0.001 0.000 0.216 5997 K C 0.416 176.717 176.600 -0.497 0.000 1.048 5997 K CA 1.468 57.590 56.287 -0.275 0.000 0.948 5997 K CB -0.113 32.276 32.500 -0.185 0.000 0.726 5997 K HN 0.670 nan 8.250 nan 0.000 0.442 5998 H N 0.248 119.324 119.070 0.010 0.000 2.448 5998 H HA 0.225 4.781 4.556 -0.001 0.000 0.237 5998 H C -2.506 172.826 175.328 0.006 0.000 1.391 5998 H CA -2.014 54.038 56.048 0.007 0.000 1.477 5998 H CB 0.614 30.380 29.762 0.006 0.000 1.520 5998 H HN 0.189 nan 8.280 nan 0.000 0.502 5999 P HA 0.069 nan 4.420 nan 0.000 0.271 5999 P C 0.681 178.010 177.300 0.047 0.000 1.226 5999 P CA -0.406 62.721 63.100 0.045 0.000 0.765 5999 P CB 1.673 33.387 31.700 0.023 0.000 0.835 6000 K N 0.938 121.359 120.400 0.034 0.000 2.358 6000 K HA 0.375 4.695 4.320 -0.001 0.000 0.197 6000 K C 0.597 177.203 176.600 0.010 0.000 1.025 6000 K CA 0.003 56.304 56.287 0.023 0.000 1.104 6000 K CB 0.739 33.250 32.500 0.019 0.000 0.855 6000 K HN 0.551 nan 8.250 nan 0.000 0.531 6001 A N 0.898 123.721 122.820 0.005 0.000 2.486 6001 A HA 0.620 4.940 4.320 -0.001 0.000 0.300 6001 A C -0.558 177.023 177.584 -0.005 0.000 1.048 6001 A CA -0.714 51.319 52.037 -0.006 0.000 0.696 6001 A CB 1.515 20.504 19.000 -0.019 0.000 1.278 6001 A HN -0.063 nan 8.150 nan 0.000 0.405 6002 V N -1.215 118.696 119.914 -0.006 0.000 3.102 6002 V HA 0.979 5.099 4.120 -0.001 0.000 0.312 6002 V C -0.433 175.655 176.094 -0.011 0.000 1.135 6002 V CA -0.622 61.677 62.300 -0.002 0.000 1.022 6002 V CB 1.639 33.467 31.823 0.008 0.000 1.056 6002 V HN 0.900 nan 8.190 nan 0.000 0.436 6003 T N 3.329 117.880 114.554 -0.005 0.000 2.861 6003 T HA 0.580 4.930 4.350 -0.001 0.000 0.287 6003 T C -0.631 174.072 174.700 0.006 0.000 1.003 6003 T CA -0.259 61.831 62.100 -0.017 0.000 0.977 6003 T CB 1.515 70.353 68.868 -0.051 0.000 0.996 6003 T HN 0.981 nan 8.240 nan 0.000 0.448 6004 M N 4.257 123.858 119.600 0.001 0.000 2.066 6004 M HA 0.540 5.020 4.480 -0.001 0.000 0.340 6004 M C -1.501 174.807 176.300 0.014 0.000 1.053 6004 M CA -1.102 54.206 55.300 0.015 0.000 0.983 6004 M CB 0.571 33.177 32.600 0.010 0.000 1.520 6004 M HN 0.476 nan 8.290 nan 0.000 0.428 6005 L N 7.577 128.824 121.223 0.039 0.000 2.255 6005 L HA 0.524 4.864 4.340 -0.001 0.000 0.289 6005 L C -1.231 175.664 176.870 0.041 0.000 1.046 6005 L CA 0.064 54.932 54.840 0.047 0.000 0.816 6005 L CB 0.513 42.638 42.059 0.110 0.000 1.197 6005 L HN 0.672 nan 8.230 nan 0.000 0.427 6006 I N 5.883 126.467 120.570 0.025 0.000 2.331 6006 I HA 0.438 4.607 4.170 -0.001 0.000 0.292 6006 I C 0.137 176.267 176.117 0.022 0.000 0.998 6006 I CA -0.586 60.727 61.300 0.021 0.000 1.267 6006 I CB 0.582 38.589 38.000 0.013 0.000 1.386 6006 I HN 0.526 nan 8.210 nan 0.000 0.476 6007 R N 4.121 124.634 120.500 0.023 0.000 2.873 6007 R HA 0.899 5.239 4.340 -0.001 0.000 0.264 6007 R C -0.273 176.037 176.300 0.017 0.000 1.026 6007 R CA -1.042 55.071 56.100 0.021 0.000 1.002 6007 R CB 1.944 32.259 30.300 0.025 0.000 1.174 6007 R HN 0.864 nan 8.270 nan 0.000 0.488 6008 G N -1.034 107.775 108.800 0.015 0.000 2.340 6008 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 6008 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 6008 G C -0.074 174.834 174.900 0.013 0.000 1.498 6008 G CA -0.249 44.860 45.100 0.014 0.000 0.847 6008 G HN 0.377 nan 8.290 nan 0.000 0.594 6009 T N -0.552 114.011 114.554 0.015 0.000 3.035 6009 T HA 0.316 4.665 4.350 -0.001 0.000 0.268 6009 T C 0.777 175.485 174.700 0.014 0.000 1.109 6009 T CA 2.113 64.222 62.100 0.014 0.000 1.119 6009 T CB -0.235 68.642 68.868 0.016 0.000 0.900 6009 T HN 0.699 nan 8.240 nan 0.000 0.503 6010 T N 0.192 114.756 114.554 0.016 0.000 2.894 6010 T HA 0.298 4.647 4.350 -0.001 0.000 0.309 6010 T C 0.284 174.980 174.700 -0.007 0.000 1.208 6010 T CA -0.682 61.426 62.100 0.013 0.000 1.016 6010 T CB 2.160 71.054 68.868 0.043 0.000 1.192 6010 T HN -0.078 nan 8.240 nan 0.000 0.491 6011 E N 0.706 120.870 120.200 -0.061 0.000 2.085 6011 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 6011 E C 1.566 178.084 176.600 -0.137 0.000 0.994 6011 E CA 1.836 58.157 56.400 -0.133 0.000 0.801 6011 E CB -0.059 29.500 29.700 -0.234 0.000 0.743 6011 E HN 0.608 nan 8.360 nan 0.000 0.453 6012 H N -0.885 118.188 119.070 0.005 0.000 2.495 6012 H HA 0.018 4.574 4.556 -0.001 0.000 0.287 6012 H C 2.036 177.366 175.328 0.005 0.000 1.033 6012 H CA 1.148 57.198 56.048 0.004 0.000 1.307 6012 H CB 0.111 29.875 29.762 0.004 0.000 1.401 6012 H HN 0.113 nan 8.280 nan 0.000 0.555 6013 V N 1.970 121.950 119.914 0.109 0.000 2.283 6013 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 6013 V C 2.656 178.776 176.094 0.043 0.000 1.039 6013 V CA 1.670 64.009 62.300 0.065 0.000 1.016 6013 V CB -0.520 31.331 31.823 0.046 0.000 0.650 6013 V HN 0.401 nan 8.190 nan 0.000 0.449 6014 I N -1.077 119.508 120.570 0.026 0.000 2.756 6014 I HA -0.150 4.019 4.170 -0.001 0.000 0.262 6014 I C 2.239 178.365 176.117 0.015 0.000 1.225 6014 I CA 1.859 63.168 61.300 0.015 0.000 1.472 6014 I CB -0.499 37.503 38.000 0.003 0.000 1.094 6014 I HN 0.422 nan 8.210 nan 0.000 0.454 6015 E N 1.798 122.011 120.200 0.022 0.000 2.046 6015 E HA -0.272 4.078 4.350 -0.001 0.000 0.190 6015 E C 2.232 178.857 176.600 0.042 0.000 0.982 6015 E CA 1.062 57.482 56.400 0.033 0.000 0.800 6015 E CB -0.144 29.593 29.700 0.061 0.000 0.756 6015 E HN 0.542 nan 8.360 nan 0.000 0.449 6016 E N 0.597 120.829 120.200 0.054 0.000 2.153 6016 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 6016 E C 2.093 178.710 176.600 0.029 0.000 0.988 6016 E CA 1.036 57.460 56.400 0.041 0.000 0.811 6016 E CB 0.103 29.829 29.700 0.043 0.000 0.746 6016 E HN 0.215 nan 8.360 nan 0.000 0.466 6017 V N 1.376 121.307 119.914 0.027 0.000 2.358 6017 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 6017 V C 2.667 178.771 176.094 0.017 0.000 1.047 6017 V CA 1.631 63.944 62.300 0.021 0.000 1.035 6017 V CB -0.930 30.905 31.823 0.020 0.000 0.658 6017 V HN 0.359 nan 8.190 nan 0.000 0.452 6018 A N 0.507 123.336 122.820 0.015 0.000 1.908 6018 A HA -0.303 4.017 4.320 -0.001 0.000 0.218 6018 A C 2.310 179.900 177.584 0.011 0.000 1.181 6018 A CA 2.437 54.480 52.037 0.010 0.000 0.627 6018 A CB -0.553 18.451 19.000 0.007 0.000 0.818 6018 A HN 0.469 nan 8.150 nan 0.000 0.445 6019 R N 0.034 120.542 120.500 0.014 0.000 2.075 6019 R HA 0.011 4.351 4.340 -0.001 0.000 0.232 6019 R C 2.175 178.482 176.300 0.012 0.000 1.126 6019 R CA 1.885 57.993 56.100 0.013 0.000 0.963 6019 R CB -0.893 29.417 30.300 0.016 0.000 0.858 6019 R HN 0.393 nan 8.270 nan 0.000 0.435 6020 A N 0.134 122.963 122.820 0.015 0.000 1.883 6020 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 6020 A C 2.225 179.817 177.584 0.013 0.000 1.186 6020 A CA 2.073 54.119 52.037 0.016 0.000 0.624 6020 A CB -0.969 18.043 19.000 0.019 0.000 0.822 6020 A HN 0.329 nan 8.150 nan 0.000 0.444 6021 V N -2.436 117.485 119.914 0.012 0.000 2.871 6021 V HA -0.118 4.002 4.120 -0.001 0.000 0.256 6021 V C 1.913 178.011 176.094 0.007 0.000 1.082 6021 V CA 2.017 64.323 62.300 0.010 0.000 1.105 6021 V CB -0.661 31.168 31.823 0.009 0.000 0.713 6021 V HN 0.549 nan 8.190 nan 0.000 0.473 6022 D N 1.520 121.924 120.400 0.007 0.000 2.104 6022 D HA -0.263 4.377 4.640 -0.001 0.000 0.194 6022 D C 1.625 177.928 176.300 0.005 0.000 0.994 6022 D CA 2.299 56.301 54.000 0.004 0.000 0.830 6022 D CB -0.069 40.734 40.800 0.004 0.000 0.959 6022 D HN 0.601 nan 8.370 nan 0.000 0.452 6023 D N 0.109 120.513 120.400 0.007 0.000 2.144 6023 D HA -0.061 4.579 4.640 -0.001 0.000 0.200 6023 D C 2.039 178.343 176.300 0.007 0.000 0.978 6023 D CA 1.368 55.372 54.000 0.007 0.000 0.833 6023 D CB -0.262 40.543 40.800 0.008 0.000 0.961 6023 D HN 0.254 nan 8.370 nan 0.000 0.470 6024 A N 0.385 123.210 122.820 0.008 0.000 1.908 6024 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 6024 A C 2.365 179.952 177.584 0.006 0.000 1.181 6024 A CA 1.181 53.222 52.037 0.008 0.000 0.627 6024 A CB -0.840 18.166 19.000 0.009 0.000 0.818 6024 A HN 0.152 nan 8.150 nan 0.000 0.445 6025 V N -0.113 119.804 119.914 0.005 0.000 2.295 6025 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 6025 V C 2.830 178.926 176.094 0.004 0.000 1.049 6025 V CA 2.012 64.315 62.300 0.004 0.000 1.024 6025 V CB -1.494 30.330 31.823 0.003 0.000 0.648 6025 V HN 0.618 nan 8.190 nan 0.000 0.447 6026 G N 0.455 109.257 108.800 0.004 0.000 2.446 6026 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 6026 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 6026 G C 1.724 176.626 174.900 0.004 0.000 1.168 6026 G CA 1.663 46.765 45.100 0.003 0.000 0.771 6026 G HN 0.594 nan 8.290 nan 0.000 0.551 6027 V N -1.443 118.474 119.914 0.005 0.000 2.591 6027 V HA -0.009 4.111 4.120 -0.001 0.000 0.249 6027 V C 2.652 178.749 176.094 0.005 0.000 1.053 6027 V CA 1.366 63.669 62.300 0.005 0.000 1.068 6027 V CB -0.483 31.344 31.823 0.007 0.000 0.689 6027 V HN 0.132 nan 8.190 nan 0.000 0.462 6028 V N 1.991 121.908 119.914 0.005 0.000 2.453 6028 V HA -0.024 4.096 4.120 -0.001 0.000 0.247 6028 V C 2.903 179.000 176.094 0.004 0.000 1.048 6028 V CA 2.137 64.440 62.300 0.005 0.000 1.049 6028 V CB -1.296 30.530 31.823 0.005 0.000 0.672 6028 V HN 0.625 nan 8.190 nan 0.000 0.457 6029 G N -1.117 107.686 108.800 0.004 0.000 2.422 6029 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 6029 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 6029 G C 1.722 176.624 174.900 0.003 0.000 1.146 6029 G CA 1.291 46.393 45.100 0.003 0.000 0.769 6029 G HN 0.536 nan 8.290 nan 0.000 0.547 6030 C N 0.541 119.843 119.300 0.003 0.000 2.429 6030 C HA -0.024 4.436 4.460 -0.001 0.000 0.277 6030 C C 3.208 178.200 174.990 0.004 0.000 1.262 6030 C CA 1.505 60.525 59.018 0.003 0.000 1.733 6030 C CB -1.037 26.706 27.740 0.004 0.000 2.010 6030 C HN 0.427 nan 8.230 nan 0.000 0.483 6031 T N 1.103 115.659 114.554 0.004 0.000 2.833 6031 T HA -0.043 4.306 4.350 -0.001 0.000 0.269 6031 T C 1.567 176.269 174.700 0.003 0.000 1.054 6031 T CA 1.207 63.309 62.100 0.004 0.000 1.135 6031 T CB -0.212 68.658 68.868 0.004 0.000 0.869 6031 T HN 0.514 nan 8.240 nan 0.000 0.466 6032 I N 0.462 121.034 120.570 0.003 0.000 2.480 6032 I HA -0.017 4.153 4.170 -0.001 0.000 0.251 6032 I C 2.519 178.637 176.117 0.002 0.000 1.124 6032 I CA 0.941 62.243 61.300 0.003 0.000 1.444 6032 I CB -0.212 37.789 38.000 0.003 0.000 1.098 6032 I HN 0.227 nan 8.210 nan 0.000 0.428 6033 E N 0.132 120.333 120.200 0.002 0.000 2.110 6033 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 6033 E C 0.532 177.133 176.600 0.002 0.000 0.988 6033 E CA 0.828 57.229 56.400 0.002 0.000 0.804 6033 E CB 0.166 29.867 29.700 0.002 0.000 0.745 6033 E HN 0.257 nan 8.360 nan 0.000 0.458 6034 D N -1.047 119.355 120.400 0.002 0.000 2.620 6034 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 6034 D C -0.195 176.106 176.300 0.003 0.000 1.207 6034 D CA -0.363 53.638 54.000 0.002 0.000 0.884 6034 D CB 1.597 42.399 40.800 0.002 0.000 1.262 6034 D HN 0.055 nan 8.370 nan 0.000 0.552 6035 G N 3.396 112.198 108.800 0.002 0.000 3.374 6035 G HA2 0.085 4.044 3.960 -0.001 0.000 0.252 6035 G HA3 0.085 4.044 3.960 -0.001 0.000 0.252 6035 G C 0.405 175.307 174.900 0.003 0.000 1.326 6035 G CA -0.140 44.961 45.100 0.003 0.000 1.133 6035 G HN 0.293 nan 8.290 nan 0.000 0.528 6036 R N -0.459 120.043 120.500 0.004 0.000 2.621 6036 R HA 0.621 4.961 4.340 -0.001 0.000 0.292 6036 R C -0.761 175.543 176.300 0.006 0.000 0.969 6036 R CA -0.789 55.314 56.100 0.005 0.000 0.887 6036 R CB 2.044 32.347 30.300 0.005 0.000 1.180 6036 R HN 0.265 nan 8.270 nan 0.000 0.450 6037 I N -1.050 119.524 120.570 0.007 0.000 3.002 6037 I HA 0.775 4.944 4.170 -0.001 0.000 0.310 6037 I C -0.537 175.587 176.117 0.012 0.000 1.087 6037 I CA -1.188 60.118 61.300 0.009 0.000 1.017 6037 I CB 2.084 40.089 38.000 0.009 0.000 1.226 6037 I HN 0.359 nan 8.210 nan 0.000 0.443 6038 V N -0.139 119.784 119.914 0.015 0.000 2.962 6038 V HA 0.820 4.940 4.120 -0.001 0.000 0.313 6038 V C 0.060 176.168 176.094 0.024 0.000 1.099 6038 V CA -0.466 61.846 62.300 0.021 0.000 0.971 6038 V CB 1.125 32.960 31.823 0.020 0.000 1.028 6038 V HN 1.139 nan 8.190 nan 0.000 0.430 6039 S N 2.183 117.903 115.700 0.033 0.000 2.562 6039 S HA 0.650 5.120 4.470 -0.001 0.000 0.281 6039 S C 0.589 175.209 174.600 0.033 0.000 1.333 6039 S CA 0.160 58.383 58.200 0.037 0.000 1.052 6039 S CB 0.868 64.100 63.200 0.052 0.000 0.884 6039 S HN 1.772 nan 8.310 nan 0.000 0.506 6040 G N 0.573 109.392 108.800 0.032 0.000 2.630 6040 G HA2 0.532 4.492 3.960 -0.001 0.000 0.223 6040 G HA3 0.532 4.492 3.960 -0.001 0.000 0.223 6040 G C 0.930 175.847 174.900 0.027 0.000 1.434 6040 G CA -0.541 44.575 45.100 0.027 0.000 1.057 6040 G HN 2.040 nan 8.290 nan 0.000 0.570 6041 G N -1.914 106.901 108.800 0.026 0.000 2.225 6041 G HA2 0.232 4.191 3.960 -0.001 0.000 0.267 6041 G HA3 0.232 4.191 3.960 -0.001 0.000 0.267 6041 G C 1.478 176.375 174.900 -0.006 0.000 1.024 6041 G CA 1.214 46.326 45.100 0.020 0.000 0.784 6041 G HN 2.457 nan 8.290 nan 0.000 0.507 6042 G N -1.400 107.387 108.800 -0.021 0.000 2.162 6042 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.260 6042 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.260 6042 G C 1.510 176.358 174.900 -0.086 0.000 0.976 6042 G CA 1.693 46.761 45.100 -0.053 0.000 0.655 6042 G HN 1.957 nan 8.290 nan 0.000 0.533 6043 S N 0.118 115.786 115.700 -0.053 0.000 2.370 6043 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 6043 S C 2.800 177.315 174.600 -0.141 0.000 1.033 6043 S CA 2.846 61.000 58.200 -0.076 0.000 1.011 6043 S CB -0.591 62.660 63.200 0.086 0.000 0.852 6043 S HN 1.398 nan 8.310 nan 0.000 0.457 6044 T N 0.023 114.544 114.554 -0.054 0.000 2.614 6044 T HA -0.095 4.255 4.350 -0.001 0.000 0.263 6044 T C 1.568 176.215 174.700 -0.089 0.000 1.055 6044 T CA 1.623 63.699 62.100 -0.041 0.000 1.162 6044 T CB -1.064 67.794 68.868 -0.017 0.000 0.863 6044 T HN 0.417 nan 8.240 nan 0.000 0.414 6045 E N 0.936 121.080 120.200 -0.092 0.000 2.187 6045 E HA -0.077 4.273 4.350 -0.001 0.000 0.199 6045 E C 2.240 178.759 176.600 -0.135 0.000 1.004 6045 E CA 0.969 57.308 56.400 -0.102 0.000 0.813 6045 E CB -0.704 28.936 29.700 -0.099 0.000 0.736 6045 E HN 0.435 nan 8.360 nan 0.000 0.468 6046 V N 0.435 120.215 119.914 -0.223 0.000 2.453 6046 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 6046 V C 2.262 178.170 176.094 -0.311 0.000 1.048 6046 V CA 1.760 63.877 62.300 -0.304 0.000 1.049 6046 V CB -0.366 31.175 31.823 -0.471 0.000 0.672 6046 V HN 0.217 nan 8.190 nan 0.000 0.457 6047 E N 0.783 120.771 120.200 -0.354 0.000 2.077 6047 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 6047 E C 2.017 178.628 176.600 0.019 0.000 0.989 6047 E CA 1.572 57.972 56.400 0.000 0.000 0.800 6047 E CB -0.419 29.366 29.700 0.142 0.000 0.746 6047 E HN 0.553 nan 8.360 nan 0.000 0.452 6048 L N -0.009 121.204 121.223 -0.017 0.000 2.046 6048 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 6048 L C 2.666 179.554 176.870 0.031 0.000 1.077 6048 L CA 1.354 56.203 54.840 0.015 0.000 0.747 6048 L CB -0.670 41.393 42.059 0.006 0.000 0.896 6048 L HN 0.195 nan 8.230 nan 0.000 0.432 6049 S N -0.312 115.384 115.700 -0.006 0.000 2.356 6049 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 6049 S C 2.126 176.749 174.600 0.038 0.000 1.032 6049 S CA 1.259 59.465 58.200 0.008 0.000 1.005 6049 S CB -0.017 63.167 63.200 -0.027 0.000 0.867 6049 S HN 0.212 nan 8.310 nan 0.000 0.449 6050 M N 0.887 120.510 119.600 0.037 0.000 2.117 6050 M HA 0.032 4.512 4.480 -0.001 0.000 0.262 6050 M C 1.997 178.343 176.300 0.076 0.000 1.065 6050 M CA 1.466 56.805 55.300 0.064 0.000 1.114 6050 M CB -0.996 31.661 32.600 0.096 0.000 1.361 6050 M HN 0.239 nan 8.290 nan 0.000 0.408 6051 K N -0.009 120.438 120.400 0.079 0.000 2.211 6051 K HA 0.194 4.513 4.320 -0.001 0.000 0.201 6051 K C 2.066 178.737 176.600 0.118 0.000 1.052 6051 K CA 0.568 56.906 56.287 0.085 0.000 0.973 6051 K CB -0.225 32.313 32.500 0.064 0.000 0.766 6051 K HN 0.351 nan 8.250 nan 0.000 0.466 6052 L N 0.349 121.644 121.223 0.120 0.000 2.240 6052 L HA -0.011 4.329 4.340 -0.001 0.000 0.211 6052 L C 2.299 179.294 176.870 0.208 0.000 1.106 6052 L CA 0.748 55.702 54.840 0.189 0.000 0.793 6052 L CB -0.195 41.979 42.059 0.192 0.000 0.927 6052 L HN 0.076 nan 8.230 nan 0.000 0.446 6053 R N 0.038 120.622 120.500 0.140 0.000 2.148 6053 R HA -0.116 4.223 4.340 -0.001 0.000 0.223 6053 R C 1.977 178.334 176.300 0.095 0.000 1.088 6053 R CA 0.982 57.146 56.100 0.107 0.000 0.985 6053 R CB -0.053 30.293 30.300 0.075 0.000 0.880 6053 R HN 0.446 nan 8.270 nan 0.000 0.451 6054 E N -0.499 119.766 120.200 0.109 0.000 2.112 6054 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 6054 E C 1.438 178.107 176.600 0.116 0.000 0.979 6054 E CA 0.675 57.132 56.400 0.094 0.000 0.814 6054 E CB -0.052 29.702 29.700 0.090 0.000 0.762 6054 E HN 0.280 nan 8.360 nan 0.000 0.460 6055 Y N 1.593 121.909 120.300 0.027 0.000 2.224 6055 Y HA -0.207 4.342 4.550 -0.001 0.000 0.289 6055 Y C 2.179 178.090 175.900 0.019 0.000 1.146 6055 Y CA 1.255 59.367 58.100 0.020 0.000 1.182 6055 Y CB -0.382 38.089 38.460 0.017 0.000 0.983 6055 Y HN -0.013 nan 8.280 nan 0.000 0.524 6056 A N 0.240 123.064 122.820 0.006 0.000 1.940 6056 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 6056 A C 2.119 179.649 177.584 -0.090 0.000 1.176 6056 A CA 1.859 53.863 52.037 -0.055 0.000 0.631 6056 A CB -0.532 18.496 19.000 0.047 0.000 0.814 6056 A HN 0.523 nan 8.150 nan 0.000 0.446 6057 E N -0.497 119.673 120.200 -0.051 0.000 2.072 6057 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 6057 E C 2.186 178.740 176.600 -0.077 0.000 0.985 6057 E CA 1.171 57.546 56.400 -0.043 0.000 0.801 6057 E CB -0.696 28.998 29.700 -0.010 0.000 0.750 6057 E HN 0.590 nan 8.360 nan 0.000 0.452 6058 G N 1.299 110.029 108.800 -0.117 0.000 2.422 6058 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.218 6058 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.218 6058 G C 1.584 176.375 174.900 -0.182 0.000 1.140 6058 G CA 0.249 45.268 45.100 -0.135 0.000 0.775 6058 G HN 0.110 nan 8.290 nan 0.000 0.545 6059 I N 0.209 120.617 120.570 -0.270 0.000 2.233 6059 I HA 0.025 4.195 4.170 -0.001 0.000 0.243 6059 I C 1.677 177.716 176.117 -0.129 0.000 1.093 6059 I CA 1.028 62.182 61.300 -0.243 0.000 1.380 6059 I CB -1.119 36.695 38.000 -0.311 0.000 1.067 6059 I HN 0.300 nan 8.210 nan 0.000 0.413 6060 S N -1.116 114.523 115.700 -0.101 0.000 3.513 6060 S HA -0.106 4.363 4.470 -0.001 0.000 0.636 6060 S C 0.748 175.321 174.600 -0.046 0.000 2.452 6060 S CA 1.346 59.510 58.200 -0.059 0.000 2.644 6060 S CB -1.364 61.806 63.200 -0.050 0.000 0.331 6060 S HN 1.422 nan 8.310 nan 0.000 1.787 6061 G N 1.121 109.903 108.800 -0.031 0.000 2.578 6061 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.275 6061 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.275 6061 G C 0.341 175.233 174.900 -0.014 0.000 1.271 6061 G CA 1.637 46.724 45.100 -0.022 0.000 0.941 6061 G HN 1.880 nan 8.290 nan 0.000 0.564 6062 R N 0.401 120.895 120.500 -0.009 0.000 2.236 6062 R HA 0.227 4.567 4.340 -0.001 0.000 0.208 6062 R C 2.003 178.303 176.300 -0.001 0.000 1.036 6062 R CA 1.648 57.748 56.100 0.000 0.000 1.001 6062 R CB -0.202 30.102 30.300 0.006 0.000 0.896 6062 R HN 0.665 nan 8.270 nan 0.000 0.464 6063 E N 1.568 121.760 120.200 -0.013 0.000 2.204 6063 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 6063 E C 1.810 178.405 176.600 -0.008 0.000 0.989 6063 E CA 1.436 57.825 56.400 -0.017 0.000 0.824 6063 E CB 0.063 29.741 29.700 -0.037 0.000 0.756 6063 E HN 0.596 nan 8.360 nan 0.000 0.477 6064 Q N 0.684 120.474 119.800 -0.017 0.000 2.230 6064 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 6064 Q C 1.985 178.008 176.000 0.038 0.000 0.963 6064 Q CA 0.949 56.747 55.803 -0.009 0.000 0.866 6064 Q CB -0.306 28.417 28.738 -0.024 0.000 0.931 6064 Q HN 0.207 nan 8.270 nan 0.000 0.452 6065 L N 0.348 121.596 121.223 0.041 0.000 2.109 6065 L HA 0.177 4.517 4.340 -0.001 0.000 0.207 6065 L C 2.246 179.184 176.870 0.114 0.000 1.086 6065 L CA 1.797 56.676 54.840 0.065 0.000 0.760 6065 L CB -0.987 41.099 42.059 0.045 0.000 0.910 6065 L HN 0.302 nan 8.230 nan 0.000 0.437 6066 A N -1.152 121.732 122.820 0.107 0.000 1.898 6066 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 6066 A C 2.232 180.026 177.584 0.349 0.000 1.181 6066 A CA 1.944 54.087 52.037 0.177 0.000 0.620 6066 A CB -1.004 18.012 19.000 0.027 0.000 0.819 6066 A HN 0.266 nan 8.150 nan 0.000 0.442 6067 V N -0.176 119.875 119.914 0.228 0.000 2.358 6067 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 6067 V C 2.619 178.872 176.094 0.265 0.000 1.047 6067 V CA 2.152 64.605 62.300 0.254 0.000 1.035 6067 V CB -0.775 31.156 31.823 0.181 0.000 0.658 6067 V HN 0.620 nan 8.190 nan 0.000 0.452 6068 R N 0.081 120.692 120.500 0.184 0.000 2.096 6068 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 6068 R C 2.258 178.644 176.300 0.144 0.000 1.127 6068 R CA 1.544 57.729 56.100 0.142 0.000 0.968 6068 R CB -0.345 30.011 30.300 0.093 0.000 0.861 6068 R HN 0.503 nan 8.270 nan 0.000 0.440 6069 A N 0.031 122.961 122.820 0.183 0.000 1.929 6069 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 6069 A C 1.895 179.549 177.584 0.117 0.000 1.176 6069 A CA 0.820 52.955 52.037 0.163 0.000 0.628 6069 A CB -0.633 18.505 19.000 0.231 0.000 0.816 6069 A HN 0.479 nan 8.150 nan 0.000 0.444 6070 F N 1.151 121.115 119.950 0.023 0.000 2.095 6070 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 6070 F C 2.528 178.259 175.800 -0.116 0.000 1.104 6070 F CA 1.488 59.371 58.000 -0.195 0.000 1.232 6070 F CB -0.362 38.572 39.000 -0.109 0.000 0.987 6070 F HN 0.249 nan 8.300 nan 0.000 0.475 6071 A N -0.435 122.470 122.820 0.142 0.000 1.902 6071 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 6071 A C 1.983 179.533 177.584 -0.056 0.000 1.181 6071 A CA 1.951 54.016 52.037 0.046 0.000 0.623 6071 A CB -1.175 17.896 19.000 0.118 0.000 0.818 6071 A HN 0.498 nan 8.150 nan 0.000 0.443 6072 D N 0.020 120.401 120.400 -0.032 0.000 2.123 6072 D HA -0.073 4.567 4.640 -0.001 0.000 0.196 6072 D C 2.044 178.280 176.300 -0.107 0.000 0.992 6072 D CA 1.621 55.592 54.000 -0.049 0.000 0.833 6072 D CB -0.248 40.545 40.800 -0.012 0.000 0.954 6072 D HN 0.334 nan 8.370 nan 0.000 0.455 6073 A N -0.118 122.594 122.820 -0.179 0.000 1.898 6073 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 6073 A C 2.146 179.572 177.584 -0.263 0.000 1.181 6073 A CA 0.900 52.795 52.037 -0.237 0.000 0.620 6073 A CB -0.669 18.121 19.000 -0.349 0.000 0.819 6073 A HN 0.300 nan 8.150 nan 0.000 0.442 6074 L N 0.218 121.242 121.223 -0.330 0.000 2.191 6074 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 6074 L C 2.140 178.910 176.870 -0.166 0.000 1.103 6074 L CA 1.723 56.398 54.840 -0.275 0.000 0.769 6074 L CB -0.799 41.087 42.059 -0.290 0.000 0.908 6074 L HN 0.482 nan 8.230 nan 0.000 0.438 6075 E N -1.374 118.745 120.200 -0.135 0.000 2.333 6075 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 6075 E C 2.263 178.809 176.600 -0.090 0.000 1.007 6075 E CA 0.727 57.069 56.400 -0.098 0.000 0.845 6075 E CB -0.158 29.498 29.700 -0.074 0.000 0.766 6075 E HN 0.291 nan 8.360 nan 0.000 0.507 6076 V N 1.133 120.987 119.914 -0.101 0.000 2.720 6076 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 6076 V C 1.718 177.765 176.094 -0.078 0.000 1.082 6076 V CA 1.091 63.340 62.300 -0.085 0.000 1.101 6076 V CB -0.205 31.563 31.823 -0.091 0.000 0.693 6076 V HN 0.258 nan 8.190 nan 0.000 0.479 6077 I N 0.600 121.118 120.570 -0.086 0.000 2.162 6077 I HA -0.035 4.135 4.170 -0.001 0.000 0.238 6077 I C 0.222 176.300 176.117 -0.065 0.000 1.076 6077 I CA 1.469 62.724 61.300 -0.074 0.000 1.353 6077 I CB -2.839 35.114 38.000 -0.078 0.000 1.063 6077 I HN 0.311 nan 8.210 nan 0.000 0.408 6078 P HA -0.171 nan 4.420 nan 0.000 0.216 6078 P C 1.797 179.066 177.300 -0.053 0.000 1.154 6078 P CA 1.755 64.819 63.100 -0.060 0.000 0.865 6078 P CB -0.159 31.500 31.700 -0.068 0.000 0.789 6079 R N -1.467 119.000 120.500 -0.054 0.000 2.075 6079 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 6079 R C 2.033 178.305 176.300 -0.048 0.000 1.126 6079 R CA 1.718 57.789 56.100 -0.048 0.000 0.963 6079 R CB -1.005 29.267 30.300 -0.048 0.000 0.858 6079 R HN 0.200 nan 8.270 nan 0.000 0.435 6080 T N 1.082 115.604 114.554 -0.052 0.000 3.051 6080 T HA 0.131 4.481 4.350 -0.001 0.000 0.255 6080 T C 1.808 176.474 174.700 -0.055 0.000 1.085 6080 T CA 0.139 62.208 62.100 -0.052 0.000 1.109 6080 T CB 0.142 68.979 68.868 -0.052 0.000 0.921 6080 T HN 0.063 nan 8.240 nan 0.000 0.488 6081 L N 0.954 122.143 121.223 -0.057 0.000 2.043 6081 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 6081 L C 2.823 179.649 176.870 -0.074 0.000 1.075 6081 L CA 1.642 56.444 54.840 -0.064 0.000 0.752 6081 L CB -0.443 41.582 42.059 -0.056 0.000 0.891 6081 L HN 0.258 nan 8.230 nan 0.000 0.432 6082 A N -1.254 121.528 122.820 -0.063 0.000 2.030 6082 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 6082 A C 2.186 179.735 177.584 -0.058 0.000 1.164 6082 A CA 0.702 52.701 52.037 -0.063 0.000 0.697 6082 A CB -0.260 18.710 19.000 -0.049 0.000 0.827 6082 A HN 0.416 nan 8.150 nan 0.000 0.457 6083 E N 0.627 120.796 120.200 -0.051 0.000 2.070 6083 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 6083 E C 1.372 177.942 176.600 -0.050 0.000 1.004 6083 E CA 1.624 57.997 56.400 -0.046 0.000 0.805 6083 E CB -0.130 29.545 29.700 -0.042 0.000 0.744 6083 E HN 0.540 nan 8.360 nan 0.000 0.451 6084 N N -0.040 118.625 118.700 -0.058 0.000 2.396 6084 N HA -0.073 4.667 4.740 -0.001 0.000 0.180 6084 N C 1.360 176.826 175.510 -0.074 0.000 1.028 6084 N CA 1.019 54.032 53.050 -0.061 0.000 0.893 6084 N CB -0.141 38.307 38.487 -0.064 0.000 0.967 6084 N HN 0.227 nan 8.380 nan 0.000 0.440 6085 A N 0.063 122.831 122.820 -0.088 0.000 2.119 6085 A HA 0.299 4.618 4.320 -0.001 0.000 0.216 6085 A C 1.467 179.009 177.584 -0.069 0.000 1.152 6085 A CA 1.054 53.030 52.037 -0.101 0.000 0.708 6085 A CB -0.384 18.540 19.000 -0.127 0.000 0.805 6085 A HN 0.306 nan 8.150 nan 0.000 0.460 6086 G N -1.332 107.436 108.800 -0.054 0.000 2.142 6086 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.225 6086 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.225 6086 G C -0.051 174.829 174.900 -0.034 0.000 1.015 6086 G CA 0.279 45.356 45.100 -0.039 0.000 0.716 6086 G HN 0.438 nan 8.290 nan 0.000 0.508 6087 L N -0.150 121.050 121.223 -0.038 0.000 2.387 6087 L HA 0.548 4.887 4.340 -0.001 0.000 0.266 6087 L C 0.356 177.210 176.870 -0.026 0.000 1.059 6087 L CA -1.096 53.725 54.840 -0.031 0.000 0.801 6087 L CB 0.914 42.952 42.059 -0.035 0.000 1.223 6087 L HN 0.099 nan 8.230 nan 0.000 0.456 6088 D N 0.721 121.109 120.400 -0.020 0.000 2.338 6088 D HA 0.199 4.839 4.640 -0.001 0.000 0.255 6088 D C 0.740 177.029 176.300 -0.019 0.000 1.237 6088 D CA -0.007 53.983 54.000 -0.017 0.000 0.883 6088 D CB 1.849 42.642 40.800 -0.012 0.000 1.087 6088 D HN 0.588 nan 8.370 nan 0.000 0.485 6089 A N 5.216 128.023 122.820 -0.021 0.000 1.978 6089 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 6089 A C 2.064 179.637 177.584 -0.018 0.000 1.170 6089 A CA 0.891 52.914 52.037 -0.023 0.000 0.636 6089 A CB -0.328 18.657 19.000 -0.025 0.000 0.810 6089 A HN 0.700 nan 8.150 nan 0.000 0.448 6090 I N -0.533 120.028 120.570 -0.014 0.000 2.235 6090 I HA -0.153 4.017 4.170 -0.001 0.000 0.241 6090 I C 2.434 178.547 176.117 -0.008 0.000 1.085 6090 I CA 1.681 62.974 61.300 -0.011 0.000 1.378 6090 I CB -1.464 36.531 38.000 -0.008 0.000 1.076 6090 I HN 0.572 nan 8.210 nan 0.000 0.415 6091 E N 1.555 121.751 120.200 -0.007 0.000 2.051 6091 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 6091 E C 2.336 178.934 176.600 -0.003 0.000 0.991 6091 E CA 1.639 58.036 56.400 -0.004 0.000 0.799 6091 E CB -0.095 29.603 29.700 -0.004 0.000 0.748 6091 E HN 0.591 nan 8.360 nan 0.000 0.449 6092 I N -0.890 119.676 120.570 -0.007 0.000 2.439 6092 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 6092 I C 2.388 178.501 176.117 -0.007 0.000 1.139 6092 I CA 0.593 61.889 61.300 -0.006 0.000 1.438 6092 I CB -0.272 37.721 38.000 -0.013 0.000 1.085 6092 I HN 0.121 nan 8.210 nan 0.000 0.427 6093 L N 1.230 122.447 121.223 -0.011 0.000 2.046 6093 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 6093 L C 2.342 179.210 176.870 -0.004 0.000 1.077 6093 L CA 1.772 56.605 54.840 -0.012 0.000 0.747 6093 L CB -0.478 41.572 42.059 -0.015 0.000 0.896 6093 L HN 0.119 nan 8.230 nan 0.000 0.432 6094 V N -0.522 119.393 119.914 0.000 0.000 2.302 6094 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 6094 V C 2.521 178.622 176.094 0.012 0.000 1.036 6094 V CA 1.885 64.189 62.300 0.006 0.000 1.020 6094 V CB -0.568 31.258 31.823 0.005 0.000 0.657 6094 V HN 0.401 nan 8.190 nan 0.000 0.453 6095 K N -0.256 120.151 120.400 0.011 0.000 2.103 6095 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 6095 K C 2.045 178.660 176.600 0.025 0.000 1.052 6095 K CA 1.104 57.401 56.287 0.016 0.000 0.945 6095 K CB -0.224 32.284 32.500 0.012 0.000 0.722 6095 K HN 0.300 nan 8.250 nan 0.000 0.443 6096 V N 1.308 121.235 119.914 0.022 0.000 2.379 6096 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 6096 V C 2.381 178.508 176.094 0.054 0.000 1.044 6096 V CA 1.431 63.752 62.300 0.034 0.000 1.036 6096 V CB -0.445 31.387 31.823 0.015 0.000 0.664 6096 V HN 0.296 nan 8.190 nan 0.000 0.453 6097 R N 0.545 121.065 120.500 0.034 0.000 2.083 6097 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 6097 R C 2.265 178.612 176.300 0.077 0.000 1.137 6097 R CA 1.970 58.098 56.100 0.046 0.000 0.951 6097 R CB -0.471 29.841 30.300 0.021 0.000 0.851 6097 R HN 0.474 nan 8.270 nan 0.000 0.434 6098 A N 0.538 123.389 122.820 0.052 0.000 1.898 6098 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 6098 A C 2.361 179.974 177.584 0.048 0.000 1.181 6098 A CA 1.575 53.639 52.037 0.044 0.000 0.620 6098 A CB -0.743 18.274 19.000 0.028 0.000 0.819 6098 A HN 0.561 nan 8.150 nan 0.000 0.442 6099 A N -0.939 121.913 122.820 0.053 0.000 1.902 6099 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 6099 A C 2.025 179.642 177.584 0.055 0.000 1.181 6099 A CA 2.115 54.180 52.037 0.047 0.000 0.623 6099 A CB -0.851 18.178 19.000 0.048 0.000 0.818 6099 A HN 0.781 nan 8.150 nan 0.000 0.443 6100 H N -0.267 118.807 119.070 0.006 0.000 2.299 6100 H HA 0.091 4.646 4.556 -0.000 0.000 0.302 6100 H C 2.211 177.543 175.328 0.007 0.000 1.078 6100 H CA 1.987 58.038 56.048 0.006 0.000 1.323 6100 H CB -0.263 29.502 29.762 0.005 0.000 1.381 6100 H HN 0.371 nan 8.280 nan 0.000 0.498 6101 A N -0.593 122.280 122.820 0.088 0.000 1.940 6101 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 6101 A C 2.578 180.145 177.584 -0.028 0.000 1.176 6101 A CA 2.080 54.140 52.037 0.038 0.000 0.631 6101 A CB -1.063 17.983 19.000 0.076 0.000 0.814 6101 A HN 0.521 nan 8.150 nan 0.000 0.446 6102 S N -0.616 115.072 115.700 -0.021 0.000 2.371 6102 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 6102 S C 1.834 176.407 174.600 -0.046 0.000 1.040 6102 S CA 1.038 59.224 58.200 -0.023 0.000 0.958 6102 S CB -0.379 62.817 63.200 -0.006 0.000 0.860 6102 S HN 0.602 nan 8.310 nan 0.000 0.487 6103 N N 1.054 119.722 118.700 -0.055 0.000 2.409 6103 N HA 0.241 4.981 4.740 -0.001 0.000 0.179 6103 N C 1.053 176.505 175.510 -0.097 0.000 1.032 6103 N CA 0.975 53.990 53.050 -0.058 0.000 0.898 6103 N CB 0.160 38.626 38.487 -0.034 0.000 0.971 6103 N HN 0.609 nan 8.380 nan 0.000 0.441 6104 G N 0.604 109.290 108.800 -0.189 0.000 2.342 6104 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.220 6104 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.220 6104 G C 0.150 174.799 174.900 -0.418 0.000 1.243 6104 G CA 0.140 45.088 45.100 -0.253 0.000 1.083 6104 G HN 0.271 nan 8.290 nan 0.000 0.500 6105 N N 0.140 118.701 118.700 -0.231 0.000 2.436 6105 N HA -0.008 4.732 4.740 -0.001 0.000 0.178 6105 N C 1.621 177.148 175.510 0.028 0.000 1.026 6105 N CA 1.425 54.434 53.050 -0.070 0.000 0.880 6105 N CB -0.139 38.365 38.487 0.027 0.000 1.061 6105 N HN 0.837 nan 8.380 nan 0.000 0.434 6106 K N -0.221 120.177 120.400 -0.003 0.000 2.387 6106 K HA 0.325 4.644 4.320 -0.001 0.000 0.198 6106 K C -0.152 176.451 176.600 0.005 0.000 1.022 6106 K CA -0.158 56.136 56.287 0.012 0.000 1.128 6106 K CB 0.039 32.542 32.500 0.005 0.000 0.853 6106 K HN 0.034 nan 8.250 nan 0.000 0.523 6107 C N 1.212 120.508 119.300 -0.008 0.000 2.955 6107 C HA 0.690 5.150 4.460 -0.001 0.000 0.229 6107 C C 0.382 175.374 174.990 0.003 0.000 1.842 6107 C CA -0.489 58.524 59.018 -0.008 0.000 1.539 6107 C CB -0.683 27.041 27.740 -0.027 0.000 2.869 6107 C HN 0.654 nan 8.230 nan 0.000 0.503 6108 A N 0.042 122.885 122.820 0.039 0.000 5.519 6108 A HA 0.946 5.266 4.320 -0.001 0.000 0.158 6108 A C 0.148 177.780 177.584 0.079 0.000 0.860 6108 A CA 0.404 52.483 52.037 0.070 0.000 1.134 6108 A CB -0.378 18.683 19.000 0.102 0.000 2.248 6108 A HN 1.963 nan 8.150 nan 0.000 1.056 6109 G N -1.856 107.006 108.800 0.103 0.000 2.787 6109 G HA2 0.367 4.326 3.960 -0.001 0.000 0.685 6109 G HA3 0.367 4.326 3.960 -0.001 0.000 0.685 6109 G C -0.755 174.173 174.900 0.047 0.000 1.437 6109 G CA -0.011 45.129 45.100 0.066 0.000 0.872 6109 G HN 2.036 nan 8.290 nan 0.000 0.566 6110 L N 0.696 121.937 121.223 0.030 0.000 2.289 6110 L HA 0.743 5.083 4.340 -0.001 0.000 0.285 6110 L C 0.199 177.092 176.870 0.037 0.000 1.049 6110 L CA -0.997 53.857 54.840 0.024 0.000 0.804 6110 L CB 1.538 43.599 42.059 0.003 0.000 1.195 6110 L HN 0.748 nan 8.230 nan 0.000 0.428 6111 N N 3.000 121.731 118.700 0.051 0.000 2.501 6111 N HA 0.222 4.962 4.740 -0.001 0.000 0.245 6111 N C 0.807 176.355 175.510 0.064 0.000 0.974 6111 N CA -0.271 52.835 53.050 0.094 0.000 0.941 6111 N CB 1.199 39.756 38.487 0.117 0.000 1.122 6111 N HN 0.510 nan 8.380 nan 0.000 0.507 6112 V N 1.622 121.537 119.914 0.002 0.000 2.913 6112 V HA -0.012 4.108 4.120 -0.001 0.000 0.260 6112 V C 1.404 177.406 176.094 -0.154 0.000 1.098 6112 V CA 1.233 63.464 62.300 -0.116 0.000 1.121 6112 V CB -1.200 30.487 31.823 -0.227 0.000 0.714 6112 V HN 0.473 nan 8.190 nan 0.000 0.487 6113 F N 2.525 122.474 119.950 -0.003 0.000 2.259 6113 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 6113 F C 2.675 178.475 175.800 -0.001 0.000 1.088 6113 F CA 1.850 59.849 58.000 -0.002 0.000 1.358 6113 F CB -0.368 38.631 39.000 -0.001 0.000 1.040 6113 F HN 0.380 nan 8.300 nan 0.000 0.505 6114 T N -4.041 110.615 114.554 0.171 0.000 3.022 6114 T HA 0.361 4.711 4.350 -0.001 0.000 0.250 6114 T C 1.548 176.277 174.700 0.049 0.000 1.060 6114 T CA 0.423 62.578 62.100 0.093 0.000 1.013 6114 T CB 0.268 69.182 68.868 0.077 0.000 0.982 6114 T HN 0.355 nan 8.240 nan 0.000 0.508 6115 G N 1.085 109.905 108.800 0.033 0.000 2.225 6115 G HA2 0.230 4.190 3.960 -0.001 0.000 0.264 6115 G HA3 0.230 4.190 3.960 -0.001 0.000 0.264 6115 G C 0.099 175.005 174.900 0.010 0.000 1.060 6115 G CA -0.182 44.922 45.100 0.006 0.000 0.833 6115 G HN 1.435 nan 8.290 nan 0.000 0.498 6116 A N -1.840 120.992 122.820 0.021 0.000 2.608 6116 A HA 0.870 5.189 4.320 -0.001 0.000 0.292 6116 A C 0.032 177.632 177.584 0.027 0.000 1.066 6116 A CA 0.149 52.198 52.037 0.020 0.000 0.676 6116 A CB 1.350 20.363 19.000 0.022 0.000 1.277 6116 A HN 1.779 nan 8.150 nan 0.000 0.413 6117 V N 1.616 121.544 119.914 0.024 0.000 2.673 6117 V HA 0.394 4.514 4.120 -0.001 0.000 0.303 6117 V C 0.010 176.123 176.094 0.032 0.000 1.046 6117 V CA 0.965 63.282 62.300 0.029 0.000 1.126 6117 V CB 0.478 32.319 31.823 0.029 0.000 0.934 6117 V HN 0.917 nan 8.190 nan 0.000 0.487 6118 E N 3.805 124.028 120.200 0.038 0.000 2.359 6118 E HA 0.388 4.738 4.350 -0.001 0.000 0.223 6118 E C -1.406 175.215 176.600 0.034 0.000 0.877 6118 E CA -0.679 55.742 56.400 0.035 0.000 0.887 6118 E CB 0.726 30.451 29.700 0.041 0.000 1.890 6118 E HN 0.703 nan 8.360 nan 0.000 0.419 6119 D N 1.262 121.679 120.400 0.028 0.000 2.472 6119 D HA 0.181 4.820 4.640 -0.001 0.000 0.234 6119 D C 0.840 177.156 176.300 0.027 0.000 1.088 6119 D CA -0.279 53.736 54.000 0.025 0.000 0.882 6119 D CB 0.647 41.456 40.800 0.015 0.000 1.037 6119 D HN 0.188 nan 8.370 nan 0.000 0.520 6120 M N 1.660 121.281 119.600 0.036 0.000 2.159 6120 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 6120 M C 2.321 178.637 176.300 0.025 0.000 1.063 6120 M CA 0.784 56.106 55.300 0.037 0.000 1.110 6120 M CB -1.143 31.484 32.600 0.045 0.000 1.374 6120 M HN 0.530 nan 8.290 nan 0.000 0.411 6121 C N 0.641 119.955 119.300 0.022 0.000 2.432 6121 C HA -0.170 4.290 4.460 -0.001 0.000 0.277 6121 C C 2.705 177.700 174.990 0.007 0.000 1.249 6121 C CA 1.408 60.435 59.018 0.014 0.000 1.725 6121 C CB -0.922 26.826 27.740 0.014 0.000 2.028 6121 C HN 0.636 nan 8.230 nan 0.000 0.477 6122 E N 0.030 120.234 120.200 0.007 0.000 2.110 6122 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 6122 E C 1.377 177.975 176.600 -0.003 0.000 0.988 6122 E CA 1.165 57.566 56.400 0.001 0.000 0.804 6122 E CB -0.182 29.519 29.700 0.002 0.000 0.745 6122 E HN 0.654 nan 8.360 nan 0.000 0.458 6123 N N -0.372 118.327 118.700 -0.001 0.000 2.398 6123 N HA 0.004 4.744 4.740 -0.001 0.000 0.188 6123 N C 0.757 176.256 175.510 -0.019 0.000 1.122 6123 N CA 0.905 53.948 53.050 -0.012 0.000 0.866 6123 N CB 0.979 39.463 38.487 -0.005 0.000 0.970 6123 N HN 0.332 nan 8.380 nan 0.000 0.462 6124 G N 0.469 109.264 108.800 -0.009 0.000 2.153 6124 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 6124 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 6124 G C 0.048 174.947 174.900 -0.002 0.000 0.994 6124 G CA 0.097 45.192 45.100 -0.009 0.000 0.698 6124 G HN 0.205 nan 8.290 nan 0.000 0.521 6125 V N 1.492 121.412 119.914 0.010 0.000 2.222 6125 V HA 0.496 4.615 4.120 -0.001 0.000 0.253 6125 V C 0.766 176.877 176.094 0.029 0.000 1.210 6125 V CA 0.161 62.477 62.300 0.028 0.000 1.079 6125 V CB 0.414 32.268 31.823 0.052 0.000 1.265 6125 V HN 1.065 nan 8.190 nan 0.000 0.494 6126 V N 1.484 121.411 119.914 0.021 0.000 3.007 6126 V HA 0.894 5.013 4.120 -0.001 0.000 0.311 6126 V C -0.716 175.388 176.094 0.017 0.000 1.120 6126 V CA -0.759 61.553 62.300 0.019 0.000 0.980 6126 V CB 2.560 34.392 31.823 0.015 0.000 1.033 6126 V HN 0.637 nan 8.190 nan 0.000 0.429 6127 E N 1.913 122.123 120.200 0.016 0.000 2.369 6127 E HA 0.660 5.009 4.350 -0.001 0.000 0.270 6127 E C -3.241 173.365 176.600 0.010 0.000 0.909 6127 E CA -2.406 54.002 56.400 0.013 0.000 0.775 6127 E CB 2.154 31.861 29.700 0.012 0.000 1.270 6127 E HN 0.467 nan 8.360 nan 0.000 0.445 6128 P HA -0.007 nan 4.420 nan 0.000 0.268 6128 P C 0.865 178.169 177.300 0.006 0.000 1.205 6128 P CA -0.349 62.755 63.100 0.007 0.000 0.771 6128 P CB 0.478 32.181 31.700 0.006 0.000 0.858 6129 L N 4.531 125.758 121.223 0.006 0.000 2.042 6129 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 6129 L C 2.200 179.073 176.870 0.005 0.000 1.076 6129 L CA 1.895 56.738 54.840 0.006 0.000 0.749 6129 L CB -0.698 41.365 42.059 0.006 0.000 0.893 6129 L HN 0.272 nan 8.230 nan 0.000 0.432 6130 R N -1.198 119.305 120.500 0.004 0.000 2.117 6130 R HA -0.164 4.175 4.340 -0.001 0.000 0.243 6130 R C 2.117 178.419 176.300 0.003 0.000 1.143 6130 R CA 1.616 57.718 56.100 0.004 0.000 0.968 6130 R CB -0.726 29.576 30.300 0.003 0.000 0.863 6130 R HN 0.346 nan 8.270 nan 0.000 0.444 6131 V N 1.324 121.240 119.914 0.003 0.000 2.261 6131 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 6131 V C 2.225 178.319 176.094 -0.000 0.000 1.047 6131 V CA 1.685 63.986 62.300 0.002 0.000 1.015 6131 V CB -0.299 31.526 31.823 0.002 0.000 0.642 6131 V HN 0.217 nan 8.190 nan 0.000 0.446 6132 K N -0.343 120.057 120.400 0.000 0.000 2.167 6132 K HA -0.010 4.310 4.320 -0.001 0.000 0.203 6132 K C 2.175 178.775 176.600 0.001 0.000 1.052 6132 K CA 1.265 57.551 56.287 -0.003 0.000 0.956 6132 K CB -0.562 31.936 32.500 -0.003 0.000 0.735 6132 K HN 0.481 nan 8.250 nan 0.000 0.451 6133 T N 1.257 115.813 114.554 0.004 0.000 2.812 6133 T HA -0.128 4.222 4.350 -0.001 0.000 0.264 6133 T C 1.900 176.606 174.700 0.010 0.000 1.042 6133 T CA 1.213 63.318 62.100 0.007 0.000 1.140 6133 T CB -0.005 68.866 68.868 0.005 0.000 0.870 6133 T HN 0.129 nan 8.240 nan 0.000 0.445 6134 Q N 1.253 121.057 119.800 0.007 0.000 2.123 6134 Q HA 0.158 4.498 4.340 -0.001 0.000 0.199 6134 Q C 2.269 178.274 176.000 0.009 0.000 0.966 6134 Q CA 1.503 57.311 55.803 0.008 0.000 0.845 6134 Q CB -0.619 28.122 28.738 0.006 0.000 0.907 6134 Q HN 0.476 nan 8.270 nan 0.000 0.439 6135 A N 0.505 123.327 122.820 0.003 0.000 1.858 6135 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 6135 A C 1.934 179.517 177.584 -0.000 0.000 1.190 6135 A CA 1.613 53.648 52.037 -0.003 0.000 0.617 6135 A CB -0.711 18.282 19.000 -0.011 0.000 0.827 6135 A HN 0.443 nan 8.150 nan 0.000 0.443 6136 I N -0.120 120.455 120.570 0.008 0.000 2.252 6136 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 6136 I C 2.649 178.807 176.117 0.068 0.000 1.102 6136 I CA 1.770 63.088 61.300 0.030 0.000 1.385 6136 I CB -1.482 36.548 38.000 0.050 0.000 1.064 6136 I HN 0.594 nan 8.210 nan 0.000 0.414 6137 Q N 0.879 120.710 119.800 0.051 0.000 2.002 6137 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 6137 Q C 2.385 178.414 176.000 0.048 0.000 0.988 6137 Q CA 2.725 58.557 55.803 0.049 0.000 0.843 6137 Q CB 0.091 28.846 28.738 0.027 0.000 0.908 6137 Q HN 0.360 nan 8.270 nan 0.000 0.420 6138 S N 0.287 116.006 115.700 0.032 0.000 2.368 6138 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 6138 S C 1.937 176.556 174.600 0.032 0.000 1.029 6138 S CA 0.884 59.101 58.200 0.028 0.000 0.988 6138 S CB -0.340 62.871 63.200 0.017 0.000 0.838 6138 S HN 0.571 nan 8.310 nan 0.000 0.462 6139 A N 1.670 124.505 122.820 0.025 0.000 1.877 6139 A HA 0.078 4.398 4.320 -0.001 0.000 0.216 6139 A C 2.359 179.967 177.584 0.040 0.000 1.186 6139 A CA 1.755 53.800 52.037 0.013 0.000 0.620 6139 A CB -1.126 17.863 19.000 -0.018 0.000 0.822 6139 A HN 0.516 nan 8.150 nan 0.000 0.443 6140 A N -0.588 122.285 122.820 0.089 0.000 1.930 6140 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 6140 A C 1.976 179.652 177.584 0.153 0.000 1.175 6140 A CA 2.109 54.256 52.037 0.183 0.000 0.627 6140 A CB -0.419 18.775 19.000 0.323 0.000 0.815 6140 A HN 0.543 nan 8.150 nan 0.000 0.443 6141 E N -0.153 120.108 120.200 0.101 0.000 2.072 6141 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 6141 E C 2.220 178.862 176.600 0.070 0.000 0.982 6141 E CA 1.448 57.895 56.400 0.079 0.000 0.803 6141 E CB -0.340 29.391 29.700 0.053 0.000 0.755 6141 E HN 0.461 nan 8.360 nan 0.000 0.453 6142 S N -1.279 114.455 115.700 0.057 0.000 2.383 6142 S HA -0.111 4.358 4.470 -0.001 0.000 0.227 6142 S C 1.885 176.517 174.600 0.054 0.000 1.026 6142 S CA 1.655 59.882 58.200 0.044 0.000 0.981 6142 S CB -0.542 62.676 63.200 0.029 0.000 0.818 6142 S HN 0.407 nan 8.310 nan 0.000 0.472 6143 T N 1.732 116.329 114.554 0.071 0.000 2.652 6143 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 6143 T C 1.761 176.540 174.700 0.133 0.000 1.039 6143 T CA 1.649 63.806 62.100 0.094 0.000 1.153 6143 T CB -0.481 68.451 68.868 0.107 0.000 0.863 6143 T HN 0.587 nan 8.240 nan 0.000 0.428 6144 E N 0.583 120.882 120.200 0.166 0.000 2.085 6144 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 6144 E C 2.253 178.899 176.600 0.077 0.000 0.994 6144 E CA 1.067 57.552 56.400 0.142 0.000 0.801 6144 E CB -0.234 29.551 29.700 0.141 0.000 0.743 6144 E HN 0.458 nan 8.360 nan 0.000 0.453 6145 M N 0.240 119.879 119.600 0.064 0.000 2.082 6145 M HA -0.243 4.237 4.480 -0.001 0.000 0.258 6145 M C 1.952 178.272 176.300 0.035 0.000 1.069 6145 M CA 1.424 56.750 55.300 0.043 0.000 1.102 6145 M CB -0.051 32.572 32.600 0.037 0.000 1.336 6145 M HN 0.178 nan 8.290 nan 0.000 0.404 6146 L N 0.390 121.635 121.223 0.036 0.000 2.083 6146 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 6146 L C 2.143 179.025 176.870 0.019 0.000 1.083 6146 L CA 1.657 56.510 54.840 0.022 0.000 0.752 6146 L CB -0.919 41.151 42.059 0.017 0.000 0.899 6146 L HN 0.402 nan 8.230 nan 0.000 0.433 6147 L N -1.585 119.658 121.223 0.034 0.000 2.395 6147 L HA -0.099 4.241 4.340 -0.001 0.000 0.218 6147 L C 2.489 179.364 176.870 0.008 0.000 1.130 6147 L CA 0.428 55.280 54.840 0.019 0.000 0.826 6147 L CB -0.361 41.714 42.059 0.028 0.000 0.941 6147 L HN 0.206 nan 8.230 nan 0.000 0.451 6148 R N 0.016 120.527 120.500 0.018 0.000 2.115 6148 R HA -0.026 4.314 4.340 -0.001 0.000 0.230 6148 R C 0.273 176.583 176.300 0.016 0.000 1.111 6148 R CA 0.618 56.729 56.100 0.018 0.000 0.976 6148 R CB -0.150 30.163 30.300 0.023 0.000 0.870 6148 R HN 0.140 nan 8.270 nan 0.000 0.445 6149 I N 2.168 122.747 120.570 0.015 0.000 2.496 6149 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 6149 I C 0.656 176.782 176.117 0.015 0.000 1.080 6149 I CA 0.239 61.550 61.300 0.018 0.000 1.404 6149 I CB 1.157 39.168 38.000 0.019 0.000 1.403 6149 I HN 0.140 nan 8.210 nan 0.000 0.539 6150 D N 2.275 122.688 120.400 0.020 0.000 2.469 6150 D HA 0.176 4.815 4.640 -0.001 0.000 0.213 6150 D C -0.312 176.009 176.300 0.035 0.000 1.135 6150 D CA -0.007 54.005 54.000 0.019 0.000 0.834 6150 D CB 0.319 41.127 40.800 0.013 0.000 1.009 6150 D HN 0.358 nan 8.370 nan 0.000 0.507 6151 D N -0.284 120.143 120.400 0.044 0.000 2.812 6151 D HA 0.217 4.857 4.640 -0.001 0.000 0.210 6151 D C -1.672 174.666 176.300 0.064 0.000 1.260 6151 D CA -0.512 53.522 54.000 0.056 0.000 0.817 6151 D CB 2.191 43.014 40.800 0.040 0.000 1.694 6151 D HN -0.183 nan 8.370 nan 0.000 0.530 6152 V N 4.071 124.041 119.914 0.094 0.000 2.384 6152 V HA 0.544 4.664 4.120 -0.001 0.000 0.287 6152 V C 0.045 176.187 176.094 0.079 0.000 1.020 6152 V CA -0.588 61.772 62.300 0.100 0.000 0.850 6152 V CB 1.216 33.138 31.823 0.166 0.000 0.987 6152 V HN 0.415 nan 8.190 nan 0.000 0.436 6153 I N 4.509 125.113 120.570 0.056 0.000 2.355 6153 I HA 0.671 4.841 4.170 -0.001 0.000 0.288 6153 I C 0.431 176.571 176.117 0.038 0.000 0.999 6153 I CA -0.107 61.217 61.300 0.040 0.000 1.163 6153 I CB 1.747 39.764 38.000 0.028 0.000 1.316 6153 I HN 0.652 nan 8.210 nan 0.000 0.454 6154 A N 5.115 127.956 122.820 0.035 0.000 2.276 6154 A HA 0.884 5.203 4.320 -0.001 0.000 0.316 6154 A C 0.166 177.761 177.584 0.018 0.000 1.229 6154 A CA -0.568 51.487 52.037 0.029 0.000 0.851 6154 A CB 0.694 19.714 19.000 0.034 0.000 1.165 6154 A HN 0.780 nan 8.150 nan 0.000 0.513 6155 A N 1.971 124.800 122.820 0.015 0.000 2.371 6155 A HA 0.475 4.795 4.320 -0.001 0.000 0.257 6155 A C 0.593 178.181 177.584 0.008 0.000 1.089 6155 A CA -0.158 51.885 52.037 0.010 0.000 0.794 6155 A CB 0.087 19.093 19.000 0.010 0.000 1.029 6155 A HN 0.951 nan 8.150 nan 0.000 0.488 6156 E N 0.000 120.203 120.200 0.005 0.000 2.725 6156 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 6156 E CA 0.000 56.402 56.400 0.003 0.000 0.976 6156 E CB 0.000 29.701 29.700 0.002 0.000 0.812 6156 E HN 0.000 nan 8.360 nan 0.000 0.440