REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3izj_1_J DATA FIRST_RESID 4618 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 4618 V HA 0.000 nan 4.120 nan 0.000 0.244 4618 V C 0.000 176.090 176.094 -0.007 0.000 1.182 4618 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 4618 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 4619 L N 2.642 123.859 121.223 -0.010 0.000 2.375 4619 L HA 0.475 4.815 4.340 0.000 0.000 0.271 4619 L C -2.075 174.789 176.870 -0.011 0.000 1.107 4619 L CA -1.503 53.330 54.840 -0.010 0.000 0.806 4619 L CB 0.354 42.404 42.059 -0.015 0.000 1.146 4619 L HN 0.136 nan 8.230 nan 0.000 0.447 4620 P HA 0.027 nan 4.420 nan 0.000 0.265 4620 P C -0.945 176.348 177.300 -0.012 0.000 1.187 4620 P CA -0.197 62.898 63.100 -0.008 0.000 0.766 4620 P CB 0.369 32.066 31.700 -0.005 0.000 0.820 4621 E N 2.814 123.007 120.200 -0.011 0.000 2.417 4621 E HA 0.076 4.426 4.350 0.000 0.000 0.261 4621 E C 0.587 177.179 176.600 -0.013 0.000 1.000 4621 E CA 0.590 56.982 56.400 -0.014 0.000 0.919 4621 E CB -0.049 29.644 29.700 -0.012 0.000 0.955 4621 E HN 0.347 nan 8.360 nan 0.000 0.455 4622 N N 0.595 119.283 118.700 -0.019 0.000 2.990 4622 N HA -0.177 4.563 4.740 0.000 0.000 0.163 4622 N C -0.215 175.283 175.510 -0.020 0.000 1.452 4622 N CA 0.523 53.563 53.050 -0.017 0.000 1.624 4622 N CB -1.038 37.444 38.487 -0.009 0.000 1.088 4622 N HN 0.552 nan 8.380 nan 0.000 0.695 4623 M N 3.011 122.599 119.600 -0.020 0.000 2.248 4623 M HA 0.046 4.526 4.480 0.000 0.000 0.345 4623 M C 0.326 176.597 176.300 -0.048 0.000 1.243 4623 M CA 0.412 55.699 55.300 -0.021 0.000 1.090 4623 M CB 0.458 33.049 32.600 -0.015 0.000 1.683 4623 M HN 0.100 nan 8.290 nan 0.000 0.450 4624 K N 5.162 125.529 120.400 -0.056 0.000 2.164 4624 K HA 0.599 4.919 4.320 0.000 0.000 0.258 4624 K C -1.123 175.372 176.600 -0.175 0.000 0.951 4624 K CA -0.958 55.245 56.287 -0.140 0.000 0.844 4624 K CB 2.026 34.447 32.500 -0.132 0.000 1.099 4624 K HN 0.792 nan 8.250 nan 0.000 0.435 4625 R N 2.653 122.963 120.500 -0.316 0.000 2.673 4625 R HA 0.306 4.646 4.340 0.000 0.000 0.281 4625 R C -1.656 174.364 176.300 -0.467 0.000 0.991 4625 R CA -0.671 55.279 56.100 -0.251 0.000 0.896 4625 R CB 1.318 31.552 30.300 -0.111 0.000 1.201 4625 R HN 0.735 nan 8.270 nan 0.000 0.457 4626 Y N 4.271 124.556 120.300 -0.026 0.000 2.429 4626 Y HA 0.546 5.096 4.550 0.000 0.000 0.342 4626 Y C 0.377 176.260 175.900 -0.028 0.000 1.004 4626 Y CA -0.875 57.205 58.100 -0.033 0.000 1.075 4626 Y CB 2.127 40.558 38.460 -0.048 0.000 1.214 4626 Y HN 0.389 nan 8.280 nan 0.000 0.455 4627 M N 1.085 120.748 119.600 0.105 0.000 2.465 4627 M HA 0.772 5.252 4.480 0.000 0.000 0.284 4627 M C 0.044 176.363 176.300 0.031 0.000 1.212 4627 M CA -0.297 55.032 55.300 0.048 0.000 0.910 4627 M CB 1.275 33.885 32.600 0.015 0.000 1.725 4627 M HN 0.834 nan 8.290 nan 0.000 0.477 4628 G N 3.243 112.049 108.800 0.011 0.000 2.591 4628 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 4628 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 4628 G C 0.563 175.457 174.900 -0.010 0.000 1.195 4628 G CA 0.828 45.922 45.100 -0.009 0.000 0.989 4628 G HN 0.944 nan 8.290 nan 0.000 0.551 4629 R N 0.750 121.242 120.500 -0.013 0.000 2.237 4629 R HA 0.050 4.390 4.340 0.000 0.000 0.219 4629 R C 1.963 178.265 176.300 0.004 0.000 1.080 4629 R CA 1.258 57.350 56.100 -0.014 0.000 0.995 4629 R CB -0.198 30.092 30.300 -0.017 0.000 0.875 4629 R HN 0.500 nan 8.270 nan 0.000 0.462 4630 D N 0.592 121.010 120.400 0.030 0.000 2.162 4630 D HA -0.040 4.600 4.640 0.000 0.000 0.203 4630 D C 1.801 178.155 176.300 0.090 0.000 0.967 4630 D CA 1.209 55.256 54.000 0.078 0.000 0.840 4630 D CB -0.120 40.749 40.800 0.115 0.000 0.972 4630 D HN 0.182 nan 8.370 nan 0.000 0.482 4631 A N 0.926 123.794 122.820 0.081 0.000 1.933 4631 A HA -0.184 4.136 4.320 0.000 0.000 0.218 4631 A C 2.077 179.630 177.584 -0.051 0.000 1.175 4631 A CA 1.200 53.261 52.037 0.039 0.000 0.628 4631 A CB -0.319 18.711 19.000 0.049 0.000 0.814 4631 A HN 0.083 nan 8.150 nan 0.000 0.444 4632 Q N -0.808 118.971 119.800 -0.035 0.000 2.123 4632 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 4632 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 4632 Q CA 1.551 57.326 55.803 -0.047 0.000 0.845 4632 Q CB -0.383 28.332 28.738 -0.038 0.000 0.907 4632 Q HN 0.628 nan 8.270 nan 0.000 0.439 4633 R N 1.034 121.503 120.500 -0.051 0.000 2.083 4633 R HA -0.079 4.261 4.340 0.000 0.000 0.237 4633 R C 2.097 178.329 176.300 -0.113 0.000 1.137 4633 R CA 1.489 57.556 56.100 -0.055 0.000 0.951 4633 R CB -0.600 29.686 30.300 -0.023 0.000 0.851 4633 R HN 0.181 nan 8.270 nan 0.000 0.434 4634 M N 0.454 119.930 119.600 -0.206 0.000 2.132 4634 M HA -0.119 4.361 4.480 0.000 0.000 0.263 4634 M C 0.986 177.082 176.300 -0.340 0.000 1.065 4634 M CA 1.794 56.853 55.300 -0.402 0.000 1.122 4634 M CB -0.703 31.401 32.600 -0.827 0.000 1.365 4634 M HN 0.154 nan 8.290 nan 0.000 0.411 4635 N N 0.994 119.551 118.700 -0.239 0.000 2.166 4635 N HA -0.110 4.630 4.740 0.000 0.000 0.186 4635 N C 1.739 177.202 175.510 -0.078 0.000 1.019 4635 N CA 1.333 54.296 53.050 -0.145 0.000 0.856 4635 N CB -0.399 38.031 38.487 -0.096 0.000 0.993 4635 N HN 0.359 nan 8.380 nan 0.000 0.426 4636 I N 1.024 121.555 120.570 -0.064 0.000 2.252 4636 I HA -0.134 4.036 4.170 0.000 0.000 0.245 4636 I C 2.191 178.296 176.117 -0.020 0.000 1.102 4636 I CA 0.682 61.965 61.300 -0.027 0.000 1.385 4636 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 4636 I HN 0.101 nan 8.210 nan 0.000 0.414 4637 L N 0.584 121.785 121.223 -0.038 0.000 2.083 4637 L HA -0.180 4.160 4.340 0.000 0.000 0.209 4637 L C 2.805 179.705 176.870 0.050 0.000 1.083 4637 L CA 1.243 56.080 54.840 -0.005 0.000 0.752 4637 L CB -0.633 41.413 42.059 -0.021 0.000 0.899 4637 L HN 0.183 nan 8.230 nan 0.000 0.433 4638 A N 0.315 123.165 122.820 0.049 0.000 1.858 4638 A HA -0.139 4.181 4.320 0.000 0.000 0.216 4638 A C 2.396 180.029 177.584 0.082 0.000 1.190 4638 A CA 1.865 54.012 52.037 0.184 0.000 0.617 4638 A CB -1.321 17.741 19.000 0.104 0.000 0.827 4638 A HN 0.424 nan 8.150 nan 0.000 0.443 4639 G N -0.909 107.912 108.800 0.035 0.000 2.408 4639 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 4639 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 4639 G C 1.700 176.608 174.900 0.013 0.000 1.150 4639 G CA 1.174 46.286 45.100 0.020 0.000 0.776 4639 G HN 0.514 nan 8.290 nan 0.000 0.542 4640 R N 0.515 121.023 120.500 0.013 0.000 2.081 4640 R HA 0.095 4.435 4.340 0.000 0.000 0.235 4640 R C 2.432 178.736 176.300 0.006 0.000 1.131 4640 R CA 1.126 57.230 56.100 0.006 0.000 0.960 4640 R CB -0.591 29.712 30.300 0.006 0.000 0.856 4640 R HN 0.427 nan 8.270 nan 0.000 0.436 4641 I N 0.071 120.651 120.570 0.016 0.000 2.202 4641 I HA -0.249 3.921 4.170 0.000 0.000 0.242 4641 I C 1.785 177.899 176.117 -0.005 0.000 1.091 4641 I CA 0.765 62.070 61.300 0.008 0.000 1.368 4641 I CB -0.266 37.744 38.000 0.016 0.000 1.058 4641 I HN 0.144 nan 8.210 nan 0.000 0.410 4642 I N 1.197 121.766 120.570 -0.002 0.000 2.163 4642 I HA -0.303 3.867 4.170 0.000 0.000 0.243 4642 I C 2.817 178.927 176.117 -0.013 0.000 1.085 4642 I CA 1.916 63.210 61.300 -0.010 0.000 1.347 4642 I CB -1.490 36.507 38.000 -0.005 0.000 1.044 4642 I HN 0.204 nan 8.210 nan 0.000 0.408 4643 A N 0.192 123.006 122.820 -0.010 0.000 1.930 4643 A HA -0.214 4.106 4.320 0.000 0.000 0.217 4643 A C 2.261 179.833 177.584 -0.019 0.000 1.175 4643 A CA 1.682 53.709 52.037 -0.016 0.000 0.627 4643 A CB -0.502 18.488 19.000 -0.017 0.000 0.815 4643 A HN 0.407 nan 8.150 nan 0.000 0.443 4644 E N 0.328 120.519 120.200 -0.015 0.000 2.106 4644 E HA -0.146 4.204 4.350 0.000 0.000 0.192 4644 E C 2.040 178.629 176.600 -0.019 0.000 0.984 4644 E CA 2.222 58.612 56.400 -0.016 0.000 0.806 4644 E CB -0.439 29.254 29.700 -0.011 0.000 0.750 4644 E HN 0.663 nan 8.360 nan 0.000 0.458 4645 T N -2.645 111.898 114.554 -0.019 0.000 2.976 4645 T HA 0.025 4.375 4.350 0.000 0.000 0.257 4645 T C 1.958 176.645 174.700 -0.022 0.000 1.051 4645 T CA 0.807 62.895 62.100 -0.021 0.000 1.141 4645 T CB -0.412 68.442 68.868 -0.023 0.000 0.881 4645 T HN 0.034 nan 8.240 nan 0.000 0.461 4646 V N 2.857 122.758 119.914 -0.021 0.000 2.788 4646 V HA 0.031 4.151 4.120 0.000 0.000 0.251 4646 V C 2.887 178.966 176.094 -0.024 0.000 1.068 4646 V CA 1.422 63.709 62.300 -0.022 0.000 1.090 4646 V CB -0.585 31.226 31.823 -0.020 0.000 0.710 4646 V HN 0.648 nan 8.190 nan 0.000 0.467 4647 R N 0.987 121.472 120.500 -0.026 0.000 2.200 4647 R HA -0.115 4.225 4.340 0.000 0.000 0.234 4647 R C 1.912 178.193 176.300 -0.031 0.000 1.127 4647 R CA 1.773 57.855 56.100 -0.030 0.000 0.989 4647 R CB -1.029 29.252 30.300 -0.031 0.000 0.869 4647 R HN 0.628 nan 8.270 nan 0.000 0.459 4648 S N 0.239 115.921 115.700 -0.029 0.000 2.595 4648 S HA -0.084 4.386 4.470 0.000 0.000 0.235 4648 S C 1.653 176.234 174.600 -0.031 0.000 0.974 4648 S CA 0.873 59.055 58.200 -0.031 0.000 0.942 4648 S CB -0.066 63.117 63.200 -0.028 0.000 0.766 4648 S HN 0.610 nan 8.310 nan 0.000 0.536 4649 T N -1.167 113.369 114.554 -0.029 0.000 3.037 4649 T HA 0.311 4.661 4.350 0.000 0.000 0.251 4649 T C 0.421 175.103 174.700 -0.030 0.000 1.079 4649 T CA -0.476 61.608 62.100 -0.027 0.000 1.067 4649 T CB -0.468 68.387 68.868 -0.022 0.000 0.948 4649 T HN 0.276 nan 8.240 nan 0.000 0.496 4650 L N 2.896 124.099 121.223 -0.034 0.000 2.462 4650 L HA 0.516 4.856 4.340 0.000 0.000 0.272 4650 L C 0.703 177.546 176.870 -0.046 0.000 1.166 4650 L CA 1.618 56.436 54.840 -0.036 0.000 0.880 4650 L CB -0.669 41.367 42.059 -0.038 0.000 1.142 4650 L HN 0.735 nan 8.230 nan 0.000 0.473 4651 G N 4.037 112.812 108.800 -0.042 0.000 2.663 4651 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 4651 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 4651 G C -2.099 172.760 174.900 -0.068 0.000 1.288 4651 G CA -0.459 44.606 45.100 -0.058 0.000 0.836 4651 G HN 0.482 nan 8.290 nan 0.000 0.584 4652 P HA -0.015 nan 4.420 nan 0.000 0.218 4652 P C 1.408 178.614 177.300 -0.157 0.000 1.148 4652 P CA 1.492 64.522 63.100 -0.118 0.000 0.822 4652 P CB 0.047 31.577 31.700 -0.283 0.000 0.784 4653 K N -0.693 119.589 120.400 -0.198 0.000 2.446 4653 K HA 0.258 4.578 4.320 0.000 0.000 0.203 4653 K C 0.950 177.496 176.600 -0.090 0.000 1.027 4653 K CA -0.189 56.006 56.287 -0.152 0.000 1.166 4653 K CB -0.372 32.018 32.500 -0.183 0.000 0.869 4653 K HN 0.035 nan 8.250 nan 0.000 0.504 4654 G N 0.376 109.133 108.800 -0.072 0.000 2.569 4654 G HA2 0.223 4.183 3.960 0.000 0.000 0.249 4654 G HA3 0.223 4.183 3.960 0.000 0.000 0.249 4654 G C -0.018 174.860 174.900 -0.038 0.000 1.216 4654 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 4654 G HN -0.029 nan 8.290 nan 0.000 0.568 4655 M N -0.048 119.532 119.600 -0.033 0.000 2.705 4655 M HA 0.409 4.889 4.480 0.000 0.000 0.272 4655 M C -0.690 175.595 176.300 -0.024 0.000 1.172 4655 M CA -0.513 54.771 55.300 -0.027 0.000 0.901 4655 M CB 1.402 33.986 32.600 -0.028 0.000 1.516 4655 M HN 0.389 nan 8.290 nan 0.000 0.530 4656 D N -0.221 120.165 120.400 -0.024 0.000 2.269 4656 D HA 0.474 5.114 4.640 0.000 0.000 0.244 4656 D C -0.978 175.306 176.300 -0.026 0.000 0.992 4656 D CA -0.370 53.616 54.000 -0.024 0.000 0.894 4656 D CB 1.413 42.198 40.800 -0.025 0.000 1.248 4656 D HN 0.098 nan 8.370 nan 0.000 0.468 4657 K N 0.739 121.124 120.400 -0.025 0.000 2.123 4657 K HA 0.611 4.932 4.320 0.000 0.000 0.248 4657 K C -0.809 175.773 176.600 -0.030 0.000 0.969 4657 K CA -0.520 55.752 56.287 -0.026 0.000 0.882 4657 K CB 1.321 33.807 32.500 -0.023 0.000 1.080 4657 K HN 0.364 nan 8.250 nan 0.000 0.441 4658 M N 3.311 122.892 119.600 -0.031 0.000 2.022 4658 M HA 0.328 4.808 4.480 0.000 0.000 0.298 4658 M C -1.705 174.578 176.300 -0.028 0.000 0.909 4658 M CA -0.918 54.361 55.300 -0.036 0.000 0.914 4658 M CB 0.567 33.142 32.600 -0.042 0.000 1.486 4658 M HN 0.308 nan 8.290 nan 0.000 0.415 4659 L N 5.057 126.266 121.223 -0.024 0.000 2.275 4659 L HA 0.562 4.902 4.340 0.000 0.000 0.288 4659 L C -0.680 176.182 176.870 -0.013 0.000 1.046 4659 L CA -0.322 54.508 54.840 -0.017 0.000 0.805 4659 L CB 1.739 43.790 42.059 -0.014 0.000 1.193 4659 L HN 0.360 nan 8.230 nan 0.000 0.426 4660 V N 2.579 122.486 119.914 -0.012 0.000 2.409 4660 V HA 0.349 4.469 4.120 0.000 0.000 0.291 4660 V C -0.057 176.033 176.094 -0.005 0.000 1.020 4660 V CA -0.857 61.439 62.300 -0.008 0.000 0.848 4660 V CB 1.564 33.381 31.823 -0.009 0.000 0.990 4660 V HN 0.633 nan 8.190 nan 0.000 0.430 4661 D N 2.505 122.905 120.400 -0.001 0.000 2.384 4661 D HA 0.045 4.685 4.640 0.000 0.000 0.244 4661 D C 1.021 177.321 176.300 -0.001 0.000 1.251 4661 D CA -0.114 53.886 54.000 -0.001 0.000 0.961 4661 D CB 1.273 42.074 40.800 0.002 0.000 1.116 4661 D HN 0.704 nan 8.370 nan 0.000 0.484 4662 D N -0.480 119.919 120.400 -0.001 0.000 2.263 4662 D HA -0.115 4.525 4.640 0.000 0.000 0.208 4662 D C 1.530 177.830 176.300 0.001 0.000 0.971 4662 D CA 0.830 54.830 54.000 -0.001 0.000 0.867 4662 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 4662 D HN 0.118 nan 8.370 nan 0.000 0.492 4663 L N -1.169 120.055 121.223 0.002 0.000 2.509 4663 L HA 0.344 4.684 4.340 0.000 0.000 0.222 4663 L C 2.047 178.920 176.870 0.005 0.000 1.123 4663 L CA 0.996 55.839 54.840 0.003 0.000 0.856 4663 L CB 0.136 42.197 42.059 0.004 0.000 0.985 4663 L HN 0.267 nan 8.230 nan 0.000 0.456 4664 G N -1.540 107.263 108.800 0.004 0.000 2.201 4664 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 4664 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 4664 G C 0.282 175.187 174.900 0.009 0.000 0.994 4664 G CA 0.069 45.172 45.100 0.006 0.000 0.644 4664 G HN 0.317 nan 8.290 nan 0.000 0.508 4665 D N 1.195 121.602 120.400 0.011 0.000 2.487 4665 D HA 0.355 4.995 4.640 0.000 0.000 0.243 4665 D C 0.460 176.770 176.300 0.017 0.000 1.154 4665 D CA 0.390 54.401 54.000 0.018 0.000 0.876 4665 D CB 1.056 41.866 40.800 0.017 0.000 1.161 4665 D HN 0.257 nan 8.370 nan 0.000 0.478 4666 V N 4.938 124.868 119.914 0.027 0.000 2.398 4666 V HA 0.377 4.497 4.120 0.000 0.000 0.286 4666 V C 0.115 176.225 176.094 0.026 0.000 1.026 4666 V CA -0.827 61.482 62.300 0.014 0.000 0.868 4666 V CB 1.685 33.509 31.823 0.001 0.000 0.982 4666 V HN 0.401 nan 8.190 nan 0.000 0.443 4667 V N 6.414 126.330 119.914 0.004 0.000 2.656 4667 V HA 0.675 4.795 4.120 0.000 0.000 0.307 4667 V C -0.774 175.306 176.094 -0.025 0.000 1.051 4667 V CA -0.294 62.011 62.300 0.009 0.000 0.893 4667 V CB 2.340 34.173 31.823 0.016 0.000 0.999 4667 V HN 0.622 nan 8.190 nan 0.000 0.426 4668 V N 5.813 125.704 119.914 -0.039 0.000 2.409 4668 V HA 0.781 4.901 4.120 0.000 0.000 0.291 4668 V C 0.015 176.096 176.094 -0.021 0.000 1.020 4668 V CA -0.087 62.181 62.300 -0.054 0.000 0.848 4668 V CB 1.551 33.309 31.823 -0.109 0.000 0.990 4668 V HN 1.038 nan 8.190 nan 0.000 0.430 4669 T N 2.547 117.090 114.554 -0.018 0.000 2.802 4669 T HA 0.323 4.673 4.350 0.000 0.000 0.311 4669 T C 0.081 174.774 174.700 -0.012 0.000 1.405 4669 T CA -0.379 61.717 62.100 -0.008 0.000 1.016 4669 T CB 2.029 70.896 68.868 -0.002 0.000 1.352 4669 T HN 0.661 nan 8.240 nan 0.000 0.498 4670 N N 1.183 119.878 118.700 -0.008 0.000 2.210 4670 N HA 0.074 4.814 4.740 0.000 0.000 0.203 4670 N C -0.315 175.190 175.510 -0.008 0.000 1.175 4670 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 4670 N CB 0.476 38.959 38.487 -0.008 0.000 1.041 4670 N HN 0.691 nan 8.380 nan 0.000 0.506 4671 D N -0.058 120.339 120.400 -0.005 0.000 2.371 4671 D HA 0.202 4.842 4.640 0.000 0.000 0.256 4671 D C 1.485 177.781 176.300 -0.007 0.000 1.193 4671 D CA 0.206 54.203 54.000 -0.004 0.000 0.881 4671 D CB 1.038 41.838 40.800 -0.001 0.000 1.143 4671 D HN 0.263 nan 8.370 nan 0.000 0.473 4672 G N 2.653 111.448 108.800 -0.008 0.000 2.440 4672 G HA2 -0.246 3.715 3.960 0.000 0.000 0.218 4672 G HA3 -0.246 3.715 3.960 0.000 0.000 0.218 4672 G C 1.532 176.427 174.900 -0.008 0.000 1.154 4672 G CA 0.757 45.851 45.100 -0.010 0.000 0.767 4672 G HN 0.490 nan 8.290 nan 0.000 0.552 4673 V N 0.838 120.749 119.914 -0.005 0.000 2.261 4673 V HA -0.185 3.936 4.120 0.000 0.000 0.246 4673 V C 3.185 179.277 176.094 -0.004 0.000 1.047 4673 V CA 2.422 64.719 62.300 -0.004 0.000 1.015 4673 V CB -0.912 30.910 31.823 -0.002 0.000 0.642 4673 V HN 0.408 nan 8.190 nan 0.000 0.446 4674 T N 0.309 114.861 114.554 -0.003 0.000 2.684 4674 T HA -0.168 4.182 4.350 0.000 0.000 0.267 4674 T C 1.805 176.502 174.700 -0.005 0.000 1.036 4674 T CA 1.914 64.013 62.100 -0.002 0.000 1.148 4674 T CB -0.314 68.553 68.868 -0.000 0.000 0.863 4674 T HN 0.339 nan 8.240 nan 0.000 0.436 4675 I N 0.321 120.886 120.570 -0.007 0.000 2.179 4675 I HA -0.149 4.021 4.170 0.000 0.000 0.242 4675 I C 2.100 178.210 176.117 -0.012 0.000 1.088 4675 I CA 1.001 62.295 61.300 -0.011 0.000 1.357 4675 I CB -0.282 37.710 38.000 -0.013 0.000 1.051 4675 I HN 0.160 nan 8.210 nan 0.000 0.409 4676 L N 0.113 121.330 121.223 -0.010 0.000 2.109 4676 L HA -0.089 4.251 4.340 0.000 0.000 0.207 4676 L C 2.502 179.366 176.870 -0.009 0.000 1.086 4676 L CA 1.505 56.339 54.840 -0.011 0.000 0.760 4676 L CB -0.945 41.109 42.059 -0.008 0.000 0.910 4676 L HN 0.147 nan 8.230 nan 0.000 0.437 4677 R N -0.143 120.354 120.500 -0.006 0.000 2.075 4677 R HA -0.108 4.232 4.340 0.000 0.000 0.232 4677 R C 1.891 178.188 176.300 -0.005 0.000 1.126 4677 R CA 1.237 57.335 56.100 -0.004 0.000 0.963 4677 R CB 0.093 30.391 30.300 -0.002 0.000 0.858 4677 R HN 0.337 nan 8.270 nan 0.000 0.435 4678 E N 0.884 121.080 120.200 -0.006 0.000 2.086 4678 E HA -0.051 4.299 4.350 0.000 0.000 0.190 4678 E C 1.282 177.876 176.600 -0.009 0.000 0.975 4678 E CA 0.466 56.862 56.400 -0.006 0.000 0.813 4678 E CB -0.358 29.340 29.700 -0.004 0.000 0.768 4678 E HN 0.448 nan 8.360 nan 0.000 0.457 4679 M N -0.022 119.571 119.600 -0.013 0.000 2.240 4679 M HA 0.102 4.582 4.480 0.000 0.000 0.317 4679 M C 0.499 176.787 176.300 -0.020 0.000 1.087 4679 M CA 0.330 55.619 55.300 -0.019 0.000 1.176 4679 M CB 0.570 33.156 32.600 -0.024 0.000 1.439 4679 M HN -0.260 nan 8.290 nan 0.000 0.452 4680 S N 2.319 118.004 115.700 -0.025 0.000 2.473 4680 S HA 0.430 4.900 4.470 0.000 0.000 0.312 4680 S C -0.651 173.924 174.600 -0.041 0.000 1.087 4680 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 4680 S CB -0.237 62.949 63.200 -0.022 0.000 1.065 4680 S HN 0.521 nan 8.310 nan 0.000 0.510 4681 V N 5.069 124.961 119.914 -0.036 0.000 2.546 4681 V HA 0.332 4.452 4.120 0.000 0.000 0.284 4681 V C 1.118 177.188 176.094 -0.041 0.000 1.050 4681 V CA -0.229 62.041 62.300 -0.051 0.000 0.981 4681 V CB 1.513 33.317 31.823 -0.031 0.000 0.990 4681 V HN 0.913 nan 8.190 nan 0.000 0.474 4682 E N 2.475 122.629 120.200 -0.076 0.000 2.256 4682 E HA 0.076 4.426 4.350 0.000 0.000 0.198 4682 E C 0.580 177.228 176.600 0.080 0.000 0.908 4682 E CA 0.435 56.824 56.400 -0.019 0.000 0.915 4682 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 4682 E HN 0.821 nan 8.360 nan 0.000 0.484 4683 H N 1.019 120.076 119.070 -0.023 0.000 2.848 4683 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 4683 H C -1.752 173.554 175.328 -0.035 0.000 1.046 4683 H CA -1.629 54.391 56.048 -0.046 0.000 1.470 4683 H CB 1.368 31.089 29.762 -0.069 0.000 1.483 4683 H HN 0.156 nan 8.280 nan 0.000 0.548 4684 P HA -0.200 nan 4.420 nan 0.000 0.215 4684 P C 1.266 178.580 177.300 0.024 0.000 1.153 4684 P CA 1.503 64.625 63.100 0.036 0.000 0.853 4684 P CB 0.215 31.925 31.700 0.018 0.000 0.788 4685 A N -0.023 122.801 122.820 0.007 0.000 1.930 4685 A HA -0.073 4.247 4.320 0.000 0.000 0.217 4685 A C 2.316 179.914 177.584 0.024 0.000 1.175 4685 A CA 1.931 53.968 52.037 0.001 0.000 0.627 4685 A CB -1.566 17.415 19.000 -0.032 0.000 0.815 4685 A HN 0.188 nan 8.150 nan 0.000 0.443 4686 A N 0.077 122.928 122.820 0.052 0.000 1.933 4686 A HA -0.163 4.157 4.320 0.000 0.000 0.218 4686 A C 2.052 179.650 177.584 0.023 0.000 1.175 4686 A CA 1.755 53.816 52.037 0.041 0.000 0.628 4686 A CB -0.424 18.604 19.000 0.047 0.000 0.814 4686 A HN 0.553 nan 8.150 nan 0.000 0.444 4687 K N -0.955 119.460 120.400 0.026 0.000 2.209 4687 K HA -0.055 4.265 4.320 0.000 0.000 0.204 4687 K C 1.821 178.430 176.600 0.015 0.000 1.048 4687 K CA 1.208 57.505 56.287 0.017 0.000 0.940 4687 K CB -0.189 32.323 32.500 0.020 0.000 0.729 4687 K HN 0.387 nan 8.250 nan 0.000 0.451 4688 M N 0.379 119.989 119.600 0.016 0.000 2.236 4688 M HA -0.042 4.439 4.480 0.000 0.000 0.266 4688 M C 2.177 178.486 176.300 0.014 0.000 1.070 4688 M CA 1.139 56.448 55.300 0.015 0.000 1.137 4688 M CB -0.664 31.945 32.600 0.015 0.000 1.378 4688 M HN 0.176 nan 8.290 nan 0.000 0.426 4689 L N 0.328 121.560 121.223 0.014 0.000 2.131 4689 L HA -0.197 4.143 4.340 0.000 0.000 0.210 4689 L C 2.250 179.124 176.870 0.008 0.000 1.092 4689 L CA 0.889 55.736 54.840 0.012 0.000 0.759 4689 L CB -0.220 41.846 42.059 0.011 0.000 0.903 4689 L HN 0.187 nan 8.230 nan 0.000 0.435 4690 I N -0.241 120.333 120.570 0.007 0.000 2.248 4690 I HA -0.350 3.820 4.170 0.000 0.000 0.248 4690 I C 2.376 178.496 176.117 0.005 0.000 1.107 4690 I CA 1.330 62.633 61.300 0.004 0.000 1.373 4690 I CB -0.213 37.789 38.000 0.003 0.000 1.055 4690 I HN 0.305 nan 8.210 nan 0.000 0.418 4691 E N 0.599 120.803 120.200 0.007 0.000 2.153 4691 E HA -0.153 4.197 4.350 0.000 0.000 0.194 4691 E C 2.135 178.740 176.600 0.008 0.000 0.988 4691 E CA 0.963 57.368 56.400 0.008 0.000 0.811 4691 E CB 0.003 29.709 29.700 0.010 0.000 0.746 4691 E HN 0.265 nan 8.360 nan 0.000 0.466 4692 V N 0.559 120.478 119.914 0.009 0.000 2.295 4692 V HA -0.287 3.833 4.120 0.000 0.000 0.246 4692 V C 2.304 178.401 176.094 0.004 0.000 1.049 4692 V CA 1.892 64.198 62.300 0.009 0.000 1.024 4692 V CB -0.895 30.933 31.823 0.010 0.000 0.648 4692 V HN 0.444 nan 8.190 nan 0.000 0.447 4693 A N -0.492 122.329 122.820 0.002 0.000 1.972 4693 A HA -0.220 4.100 4.320 0.000 0.000 0.219 4693 A C 2.280 179.864 177.584 0.000 0.000 1.169 4693 A CA 1.846 53.883 52.037 -0.001 0.000 0.635 4693 A CB -0.403 18.595 19.000 -0.002 0.000 0.810 4693 A HN 0.557 nan 8.150 nan 0.000 0.446 4694 K N -0.534 119.867 120.400 0.002 0.000 2.097 4694 K HA -0.102 4.219 4.320 0.000 0.000 0.205 4694 K C 2.188 178.790 176.600 0.002 0.000 1.050 4694 K CA 1.727 58.016 56.287 0.002 0.000 0.938 4694 K CB -0.305 32.197 32.500 0.003 0.000 0.718 4694 K HN 0.729 nan 8.250 nan 0.000 0.442 4695 T N -1.302 113.254 114.554 0.004 0.000 2.951 4695 T HA -0.138 4.212 4.350 0.000 0.000 0.268 4695 T C 1.985 176.687 174.700 0.003 0.000 1.073 4695 T CA 0.817 62.919 62.100 0.004 0.000 1.134 4695 T CB -0.002 68.870 68.868 0.006 0.000 0.884 4695 T HN 0.034 nan 8.240 nan 0.000 0.479 4696 Q N 1.209 121.010 119.800 0.002 0.000 2.079 4696 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 4696 Q C 2.439 178.439 176.000 0.001 0.000 0.974 4696 Q CA 1.452 57.255 55.803 0.001 0.000 0.840 4696 Q CB -0.398 28.340 28.738 -0.000 0.000 0.898 4696 Q HN 0.523 nan 8.270 nan 0.000 0.430 4697 E N -0.085 120.115 120.200 0.000 0.000 2.085 4697 E HA -0.205 4.145 4.350 0.000 0.000 0.194 4697 E C 1.613 178.213 176.600 -0.000 0.000 0.994 4697 E CA 1.150 57.550 56.400 -0.000 0.000 0.801 4697 E CB 0.157 29.857 29.700 -0.001 0.000 0.743 4697 E HN 0.233 nan 8.360 nan 0.000 0.453 4698 K N 0.379 120.779 120.400 0.000 0.000 2.031 4698 K HA -0.133 4.187 4.320 0.000 0.000 0.205 4698 K C 2.129 178.729 176.600 0.000 0.000 1.049 4698 K CA 1.071 57.358 56.287 -0.000 0.000 0.939 4698 K CB -0.281 32.220 32.500 0.000 0.000 0.717 4698 K HN 0.051 nan 8.250 nan 0.000 0.438 4699 E N 0.839 121.040 120.200 0.001 0.000 2.076 4699 E HA -0.107 4.243 4.350 0.000 0.000 0.190 4699 E C 1.720 178.320 176.600 0.001 0.000 0.979 4699 E CA 1.300 57.700 56.400 0.001 0.000 0.807 4699 E CB 0.285 29.986 29.700 0.002 0.000 0.761 4699 E HN 0.089 nan 8.360 nan 0.000 0.454 4700 V N -4.931 114.984 119.914 0.001 0.000 3.473 4700 V HA 0.584 4.704 4.120 0.000 0.000 0.253 4700 V C 1.484 177.579 176.094 0.001 0.000 1.340 4700 V CA 0.851 63.151 62.300 0.001 0.000 1.103 4700 V CB 0.451 32.275 31.823 0.002 0.000 0.881 4700 V HN 0.340 nan 8.190 nan 0.000 0.451 4701 G N 0.686 109.487 108.800 0.000 0.000 3.586 4701 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 4701 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 4701 G C 0.166 175.067 174.900 0.001 0.000 1.411 4701 G CA 0.468 45.569 45.100 0.000 0.000 0.898 4701 G HN 0.654 nan 8.290 nan 0.000 0.575 4702 D N 1.166 121.568 120.400 0.002 0.000 2.478 4702 D HA 0.480 5.120 4.640 0.000 0.000 0.269 4702 D C 1.537 177.837 176.300 0.000 0.000 1.232 4702 D CA 1.219 55.220 54.000 0.002 0.000 1.059 4702 D CB 0.616 41.419 40.800 0.005 0.000 1.104 4702 D HN 1.611 nan 8.370 nan 0.000 0.566 4703 G N -0.344 108.456 108.800 -0.001 0.000 2.153 4703 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 4703 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 4703 G C 1.037 175.932 174.900 -0.008 0.000 0.994 4703 G CA 1.515 46.612 45.100 -0.005 0.000 0.698 4703 G HN 0.584 nan 8.290 nan 0.000 0.521 4704 T N -2.948 111.603 114.554 -0.006 0.000 2.746 4704 T HA -0.113 4.237 4.350 0.000 0.000 0.267 4704 T C 2.215 176.909 174.700 -0.010 0.000 1.039 4704 T CA 2.419 64.515 62.100 -0.007 0.000 1.142 4704 T CB -0.564 68.301 68.868 -0.005 0.000 0.866 4704 T HN 0.308 nan 8.240 nan 0.000 0.444 4705 T N 2.009 116.555 114.554 -0.013 0.000 2.737 4705 T HA -0.087 4.263 4.350 0.000 0.000 0.265 4705 T C 2.280 176.967 174.700 -0.022 0.000 1.038 4705 T CA 1.816 63.906 62.100 -0.017 0.000 1.144 4705 T CB -0.989 67.868 68.868 -0.019 0.000 0.866 4705 T HN 0.518 nan 8.240 nan 0.000 0.434 4706 T N 2.231 116.772 114.554 -0.022 0.000 2.665 4706 T HA -0.135 4.215 4.350 0.000 0.000 0.268 4706 T C 2.371 177.052 174.700 -0.032 0.000 1.035 4706 T CA 1.335 63.417 62.100 -0.029 0.000 1.151 4706 T CB -0.630 68.222 68.868 -0.025 0.000 0.862 4706 T HN 0.447 nan 8.240 nan 0.000 0.438 4707 A N 0.759 123.565 122.820 -0.023 0.000 1.940 4707 A HA -0.057 4.263 4.320 0.000 0.000 0.219 4707 A C 2.592 180.162 177.584 -0.023 0.000 1.176 4707 A CA 1.456 53.480 52.037 -0.021 0.000 0.631 4707 A CB -0.910 18.084 19.000 -0.011 0.000 0.814 4707 A HN 0.385 nan 8.150 nan 0.000 0.446 4708 V N -0.653 119.249 119.914 -0.020 0.000 2.379 4708 V HA -0.178 3.942 4.120 0.000 0.000 0.245 4708 V C 2.552 178.629 176.094 -0.028 0.000 1.044 4708 V CA 1.733 64.022 62.300 -0.019 0.000 1.036 4708 V CB -0.628 31.186 31.823 -0.015 0.000 0.664 4708 V HN 0.363 nan 8.190 nan 0.000 0.453 4709 V N -0.449 119.445 119.914 -0.034 0.000 2.295 4709 V HA -0.218 3.902 4.120 0.000 0.000 0.246 4709 V C 2.465 178.523 176.094 -0.059 0.000 1.049 4709 V CA 2.130 64.404 62.300 -0.043 0.000 1.024 4709 V CB -0.376 31.421 31.823 -0.044 0.000 0.648 4709 V HN 0.425 nan 8.190 nan 0.000 0.447 4710 V N -0.021 119.850 119.914 -0.072 0.000 2.515 4710 V HA -0.182 3.938 4.120 0.000 0.000 0.250 4710 V C 2.525 178.548 176.094 -0.118 0.000 1.058 4710 V CA 1.995 64.228 62.300 -0.112 0.000 1.064 4710 V CB -0.275 31.474 31.823 -0.124 0.000 0.675 4710 V HN 0.522 nan 8.190 nan 0.000 0.461 4711 A N -0.135 122.642 122.820 -0.071 0.000 1.898 4711 A HA 0.004 4.324 4.320 0.000 0.000 0.216 4711 A C 2.342 179.910 177.584 -0.027 0.000 1.181 4711 A CA 1.702 53.715 52.037 -0.041 0.000 0.620 4711 A CB -1.233 17.761 19.000 -0.012 0.000 0.819 4711 A HN 0.599 nan 8.150 nan 0.000 0.442 4712 G N -0.494 108.289 108.800 -0.029 0.000 2.408 4712 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 4712 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 4712 G C 1.461 176.347 174.900 -0.024 0.000 1.150 4712 G CA 1.286 46.376 45.100 -0.018 0.000 0.776 4712 G HN 0.583 nan 8.290 nan 0.000 0.542 4713 E N 0.249 120.418 120.200 -0.051 0.000 2.107 4713 E HA 0.041 4.391 4.350 0.000 0.000 0.191 4713 E C 2.454 179.013 176.600 -0.067 0.000 0.982 4713 E CA 0.432 56.795 56.400 -0.063 0.000 0.809 4713 E CB -0.350 29.294 29.700 -0.093 0.000 0.756 4713 E HN 0.416 nan 8.360 nan 0.000 0.459 4714 L N 0.032 121.195 121.223 -0.100 0.000 2.083 4714 L HA -0.159 4.181 4.340 0.000 0.000 0.209 4714 L C 2.371 179.303 176.870 0.104 0.000 1.083 4714 L CA 0.946 55.728 54.840 -0.096 0.000 0.752 4714 L CB -0.335 41.618 42.059 -0.176 0.000 0.899 4714 L HN 0.249 nan 8.230 nan 0.000 0.433 4715 L N -0.864 120.405 121.223 0.077 0.000 2.156 4715 L HA -0.166 4.174 4.340 0.000 0.000 0.208 4715 L C 2.731 179.638 176.870 0.061 0.000 1.095 4715 L CA 0.609 55.502 54.840 0.088 0.000 0.770 4715 L CB -0.386 41.703 42.059 0.049 0.000 0.914 4715 L HN 0.202 nan 8.230 nan 0.000 0.439 4716 R N 0.903 121.423 120.500 0.034 0.000 2.081 4716 R HA -0.169 4.171 4.340 0.000 0.000 0.235 4716 R C 2.116 178.440 176.300 0.040 0.000 1.131 4716 R CA 1.594 57.708 56.100 0.023 0.000 0.960 4716 R CB -0.098 30.204 30.300 0.003 0.000 0.856 4716 R HN 0.008 nan 8.270 nan 0.000 0.436 4717 K N -0.237 120.198 120.400 0.059 0.000 2.155 4717 K HA 0.144 4.464 4.320 0.000 0.000 0.203 4717 K C 1.816 178.501 176.600 0.141 0.000 1.052 4717 K CA 1.303 57.644 56.287 0.090 0.000 0.948 4717 K CB -0.282 32.271 32.500 0.088 0.000 0.728 4717 K HN 0.291 nan 8.250 nan 0.000 0.448 4718 A N 0.753 123.685 122.820 0.187 0.000 1.902 4718 A HA -0.218 4.102 4.320 0.000 0.000 0.217 4718 A C 2.123 179.732 177.584 0.042 0.000 1.181 4718 A CA 1.810 53.929 52.037 0.137 0.000 0.623 4718 A CB -0.481 18.608 19.000 0.148 0.000 0.818 4718 A HN 0.442 nan 8.150 nan 0.000 0.443 4719 E N -0.323 119.900 120.200 0.039 0.000 2.110 4719 E HA -0.216 4.135 4.350 0.000 0.000 0.193 4719 E C 1.723 178.331 176.600 0.012 0.000 0.988 4719 E CA 1.241 57.649 56.400 0.013 0.000 0.804 4719 E CB -0.056 29.649 29.700 0.010 0.000 0.745 4719 E HN 0.563 nan 8.360 nan 0.000 0.458 4720 E N 0.224 120.440 120.200 0.026 0.000 2.106 4720 E HA -0.160 4.190 4.350 0.000 0.000 0.192 4720 E C 2.088 178.701 176.600 0.022 0.000 0.984 4720 E CA 0.555 56.969 56.400 0.024 0.000 0.806 4720 E CB -0.073 29.646 29.700 0.031 0.000 0.750 4720 E HN 0.274 nan 8.360 nan 0.000 0.458 4721 L N 0.437 121.677 121.223 0.029 0.000 2.156 4721 L HA -0.086 4.254 4.340 0.000 0.000 0.208 4721 L C 2.383 179.250 176.870 -0.006 0.000 1.095 4721 L CA 1.050 55.903 54.840 0.020 0.000 0.770 4721 L CB -0.674 41.402 42.059 0.028 0.000 0.914 4721 L HN 0.084 nan 8.230 nan 0.000 0.439 4722 L N -0.963 120.249 121.223 -0.019 0.000 2.093 4722 L HA -0.187 4.153 4.340 0.000 0.000 0.208 4722 L C 1.980 178.836 176.870 -0.024 0.000 1.085 4722 L CA 0.909 55.728 54.840 -0.035 0.000 0.755 4722 L CB -0.524 41.509 42.059 -0.042 0.000 0.904 4722 L HN 0.232 nan 8.230 nan 0.000 0.435 4723 D N -0.569 119.825 120.400 -0.011 0.000 2.224 4723 D HA -0.133 4.507 4.640 0.000 0.000 0.205 4723 D C 2.016 178.315 176.300 -0.002 0.000 0.965 4723 D CA 0.804 54.800 54.000 -0.006 0.000 0.852 4723 D CB -0.029 40.771 40.800 -0.000 0.000 0.947 4723 D HN 0.262 nan 8.370 nan 0.000 0.494 4724 Q N 0.470 120.271 119.800 0.002 0.000 2.415 4724 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 4724 Q C 0.046 176.050 176.000 0.005 0.000 0.946 4724 Q CA 0.010 55.817 55.803 0.007 0.000 0.951 4724 Q CB -0.159 28.588 28.738 0.015 0.000 1.026 4724 Q HN 0.176 nan 8.270 nan 0.000 0.510 4725 N N -0.337 118.361 118.700 -0.002 0.000 2.754 4725 N HA -0.155 4.585 4.740 0.000 0.000 0.248 4725 N C -1.365 174.149 175.510 0.007 0.000 1.093 4725 N CA 0.301 53.349 53.050 -0.002 0.000 0.699 4725 N CB -1.298 37.193 38.487 0.005 0.000 1.016 4725 N HN -0.029 nan 8.380 nan 0.000 0.552 4726 V N 2.115 122.030 119.914 0.001 0.000 2.385 4726 V HA 0.129 4.249 4.120 0.000 0.000 0.269 4726 V C 1.001 177.098 176.094 0.004 0.000 1.043 4726 V CA -0.799 61.510 62.300 0.014 0.000 0.906 4726 V CB 1.029 32.855 31.823 0.005 0.000 0.995 4726 V HN 0.348 nan 8.190 nan 0.000 0.467 4727 H N 8.247 127.300 119.070 -0.028 0.000 3.094 4727 H HA 0.016 4.573 4.556 0.000 0.000 0.320 4727 H C -1.667 173.633 175.328 -0.046 0.000 1.000 4727 H CA -1.054 54.976 56.048 -0.030 0.000 1.413 4727 H CB 1.574 31.321 29.762 -0.025 0.000 1.405 4727 H HN 0.385 nan 8.280 nan 0.000 0.586 4728 P HA -0.187 nan 4.420 nan 0.000 0.217 4728 P C 1.429 178.750 177.300 0.035 0.000 1.148 4728 P CA 2.567 65.599 63.100 -0.113 0.000 0.834 4728 P CB 0.025 31.619 31.700 -0.178 0.000 0.783 4729 T N -4.236 110.480 114.554 0.269 0.000 2.995 4729 T HA -0.034 4.316 4.350 0.000 0.000 0.269 4729 T C 1.703 176.436 174.700 0.056 0.000 1.091 4729 T CA 0.654 62.842 62.100 0.146 0.000 1.128 4729 T CB -0.754 68.187 68.868 0.122 0.000 0.891 4729 T HN -0.082 nan 8.240 nan 0.000 0.492 4730 I N 1.194 121.808 120.570 0.072 0.000 2.333 4730 I HA 0.010 4.180 4.170 0.000 0.000 0.246 4730 I C 2.657 178.748 176.117 -0.044 0.000 1.106 4730 I CA 0.501 61.810 61.300 0.014 0.000 1.411 4730 I CB -1.106 36.914 38.000 0.033 0.000 1.082 4730 I HN 0.175 nan 8.210 nan 0.000 0.420 4731 V N 1.548 121.400 119.914 -0.102 0.000 2.295 4731 V HA -0.219 3.901 4.120 0.000 0.000 0.246 4731 V C 2.731 178.569 176.094 -0.426 0.000 1.049 4731 V CA 1.994 64.117 62.300 -0.295 0.000 1.024 4731 V CB -0.801 30.826 31.823 -0.326 0.000 0.648 4731 V HN 0.415 nan 8.190 nan 0.000 0.447 4732 V N -0.894 118.885 119.914 -0.225 0.000 2.667 4732 V HA -0.105 4.015 4.120 0.000 0.000 0.252 4732 V C 2.359 178.435 176.094 -0.030 0.000 1.065 4732 V CA 2.112 64.338 62.300 -0.123 0.000 1.083 4732 V CB -0.683 31.109 31.823 -0.053 0.000 0.692 4732 V HN 0.493 nan 8.190 nan 0.000 0.468 4733 K N 2.234 122.618 120.400 -0.027 0.000 2.025 4733 K HA 0.098 4.418 4.320 0.000 0.000 0.207 4733 K C 2.136 178.754 176.600 0.029 0.000 1.049 4733 K CA 2.081 58.370 56.287 0.004 0.000 0.933 4733 K CB -1.325 31.175 32.500 -0.001 0.000 0.714 4733 K HN 0.434 nan 8.250 nan 0.000 0.438 4734 G N -0.750 108.075 108.800 0.042 0.000 2.422 4734 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 4734 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 4734 G C 1.169 176.173 174.900 0.172 0.000 1.146 4734 G CA 0.826 45.997 45.100 0.117 0.000 0.769 4734 G HN 0.290 nan 8.290 nan 0.000 0.547 4735 Y N 0.311 120.561 120.300 -0.083 0.000 2.314 4735 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 4735 Y C 2.860 178.581 175.900 -0.298 0.000 1.129 4735 Y CA 0.895 58.873 58.100 -0.203 0.000 1.201 4735 Y CB -0.785 37.717 38.460 0.070 0.000 0.999 4735 Y HN 0.260 nan 8.280 nan 0.000 0.541 4736 Q N 0.386 120.207 119.800 0.035 0.000 2.079 4736 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 4736 Q C 2.357 178.311 176.000 -0.077 0.000 0.974 4736 Q CA 1.756 57.550 55.803 -0.015 0.000 0.840 4736 Q CB -0.474 28.273 28.738 0.015 0.000 0.898 4736 Q HN 0.325 nan 8.270 nan 0.000 0.430 4737 A N 0.252 123.048 122.820 -0.041 0.000 1.873 4737 A HA -0.004 4.316 4.320 0.000 0.000 0.215 4737 A C 2.271 179.788 177.584 -0.111 0.000 1.186 4737 A CA 1.872 53.915 52.037 0.010 0.000 0.616 4737 A CB -1.144 17.941 19.000 0.141 0.000 0.823 4737 A HN 0.499 nan 8.150 nan 0.000 0.442 4738 A N -0.343 122.315 122.820 -0.270 0.000 1.930 4738 A HA 0.249 4.569 4.320 0.000 0.000 0.217 4738 A C 2.444 179.622 177.584 -0.676 0.000 1.175 4738 A CA 1.819 53.541 52.037 -0.526 0.000 0.627 4738 A CB -0.843 17.680 19.000 -0.795 0.000 0.815 4738 A HN 0.990 nan 8.150 nan 0.000 0.443 4739 A N -1.149 121.226 122.820 -0.741 0.000 1.930 4739 A HA -0.124 4.196 4.320 0.000 0.000 0.217 4739 A C 2.093 179.581 177.584 -0.160 0.000 1.175 4739 A CA 1.446 53.298 52.037 -0.309 0.000 0.627 4739 A CB -0.378 18.531 19.000 -0.152 0.000 0.815 4739 A HN 0.462 nan 8.150 nan 0.000 0.443 4740 Q N -0.295 119.400 119.800 -0.175 0.000 2.124 4740 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 4740 Q C 2.004 177.902 176.000 -0.170 0.000 0.977 4740 Q CA 1.818 57.545 55.803 -0.126 0.000 0.850 4740 Q CB -0.302 28.381 28.738 -0.091 0.000 0.901 4740 Q HN 0.619 nan 8.270 nan 0.000 0.429 4741 K N 0.888 121.109 120.400 -0.298 0.000 2.103 4741 K HA 0.028 4.348 4.320 0.000 0.000 0.204 4741 K C 1.843 178.317 176.600 -0.211 0.000 1.052 4741 K CA 1.175 57.237 56.287 -0.376 0.000 0.945 4741 K CB -0.414 31.592 32.500 -0.823 0.000 0.722 4741 K HN 0.111 nan 8.250 nan 0.000 0.443 4742 A N 0.353 123.083 122.820 -0.150 0.000 1.933 4742 A HA -0.206 4.114 4.320 0.000 0.000 0.218 4742 A C 2.150 179.719 177.584 -0.025 0.000 1.175 4742 A CA 1.844 53.861 52.037 -0.033 0.000 0.628 4742 A CB -0.653 18.399 19.000 0.086 0.000 0.814 4742 A HN 0.456 nan 8.150 nan 0.000 0.444 4743 Q N 0.096 119.872 119.800 -0.040 0.000 2.084 4743 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 4743 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 4743 Q CA 2.251 58.038 55.803 -0.027 0.000 0.844 4743 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 4743 Q HN 0.763 nan 8.270 nan 0.000 0.426 4744 E N -0.591 119.578 120.200 -0.053 0.000 2.077 4744 E HA -0.170 4.180 4.350 0.000 0.000 0.193 4744 E C 1.902 178.482 176.600 -0.034 0.000 0.989 4744 E CA 1.113 57.486 56.400 -0.045 0.000 0.800 4744 E CB -0.150 29.511 29.700 -0.064 0.000 0.746 4744 E HN 0.452 nan 8.360 nan 0.000 0.452 4745 L N 0.583 121.782 121.223 -0.041 0.000 2.083 4745 L HA -0.188 4.152 4.340 0.000 0.000 0.209 4745 L C 2.546 179.414 176.870 -0.003 0.000 1.083 4745 L CA 0.707 55.535 54.840 -0.020 0.000 0.752 4745 L CB -0.298 41.748 42.059 -0.021 0.000 0.899 4745 L HN 0.258 nan 8.230 nan 0.000 0.433 4746 L N -0.391 120.830 121.223 -0.005 0.000 2.056 4746 L HA -0.202 4.138 4.340 0.000 0.000 0.207 4746 L C 2.527 179.398 176.870 0.002 0.000 1.078 4746 L CA 1.356 56.197 54.840 0.003 0.000 0.749 4746 L CB -0.388 41.672 42.059 0.002 0.000 0.901 4746 L HN 0.198 nan 8.230 nan 0.000 0.433 4747 K N -0.885 119.513 120.400 -0.003 0.000 2.362 4747 K HA -0.073 4.247 4.320 0.000 0.000 0.200 4747 K C 1.855 178.455 176.600 -0.001 0.000 1.046 4747 K CA 1.252 57.538 56.287 -0.002 0.000 0.952 4747 K CB -0.059 32.437 32.500 -0.006 0.000 0.753 4747 K HN 0.283 nan 8.250 nan 0.000 0.466 4748 T N 1.274 115.828 114.554 -0.000 0.000 3.035 4748 T HA 0.046 4.396 4.350 0.000 0.000 0.259 4748 T C 1.736 176.440 174.700 0.007 0.000 1.078 4748 T CA 0.570 62.671 62.100 0.002 0.000 1.132 4748 T CB 0.070 68.938 68.868 0.001 0.000 0.900 4748 T HN 0.348 nan 8.240 nan 0.000 0.480 4749 I N -0.859 119.718 120.570 0.012 0.000 3.968 4749 I HA 0.536 4.706 4.170 0.000 0.000 0.328 4749 I C 0.941 177.067 176.117 0.015 0.000 1.290 4749 I CA -0.672 60.639 61.300 0.018 0.000 1.163 4749 I CB -0.255 37.765 38.000 0.033 0.000 1.024 4749 I HN -0.095 nan 8.210 nan 0.000 0.413 4750 A N 1.597 124.423 122.820 0.011 0.000 2.546 4750 A HA 0.129 4.449 4.320 0.000 0.000 0.243 4750 A C 0.083 177.671 177.584 0.007 0.000 1.063 4750 A CA 0.032 52.075 52.037 0.009 0.000 0.757 4750 A CB -0.244 18.760 19.000 0.006 0.000 0.991 4750 A HN 0.640 nan 8.150 nan 0.000 0.503 4751 C N 3.664 122.968 119.300 0.008 0.000 2.255 4751 C HA 0.539 4.999 4.460 0.000 0.000 0.326 4751 C C 0.355 175.348 174.990 0.005 0.000 1.258 4751 C CA -0.641 58.381 59.018 0.006 0.000 1.676 4751 C CB -0.346 27.398 27.740 0.008 0.000 2.314 4751 C HN 0.941 nan 8.230 nan 0.000 0.509 4752 E N 3.679 123.881 120.200 0.004 0.000 2.351 4752 E HA 0.405 4.755 4.350 0.000 0.000 0.266 4752 E C -0.093 176.509 176.600 0.003 0.000 1.031 4752 E CA 0.229 56.631 56.400 0.003 0.000 0.911 4752 E CB 0.644 30.345 29.700 0.002 0.000 0.986 4752 E HN 0.712 nan 8.360 nan 0.000 0.446 4753 V N 1.474 121.390 119.914 0.003 0.000 3.102 4753 V HA 0.840 4.960 4.120 0.000 0.000 0.312 4753 V C 0.514 176.610 176.094 0.003 0.000 1.135 4753 V CA -0.793 61.509 62.300 0.003 0.000 1.022 4753 V CB 1.646 33.470 31.823 0.003 0.000 1.056 4753 V HN 0.672 nan 8.190 nan 0.000 0.436 4754 G N 0.423 109.224 108.800 0.002 0.000 2.343 4754 G HA2 0.463 4.424 3.960 0.000 0.000 0.254 4754 G HA3 0.463 4.424 3.960 0.000 0.000 0.254 4754 G C 0.994 175.896 174.900 0.003 0.000 1.277 4754 G CA 0.192 45.294 45.100 0.003 0.000 0.909 4754 G HN 1.671 nan 8.290 nan 0.000 0.502 4755 A N 2.138 124.960 122.820 0.003 0.000 1.940 4755 A HA -0.123 4.197 4.320 0.000 0.000 0.219 4755 A C 1.930 179.516 177.584 0.004 0.000 1.176 4755 A CA 1.855 53.894 52.037 0.004 0.000 0.631 4755 A CB -0.069 18.934 19.000 0.004 0.000 0.814 4755 A HN 0.641 nan 8.150 nan 0.000 0.446 4756 Q N -0.482 119.321 119.800 0.004 0.000 2.155 4756 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 4756 Q C -0.830 175.173 176.000 0.003 0.000 0.819 4756 Q CA -0.267 55.538 55.803 0.004 0.000 1.032 4756 Q CB 0.182 28.924 28.738 0.006 0.000 1.151 4756 Q HN 0.578 nan 8.270 nan 0.000 0.487 4757 D N 1.014 121.416 120.400 0.003 0.000 2.412 4757 D HA -0.073 4.567 4.640 0.000 0.000 0.257 4757 D C 1.262 177.563 176.300 0.001 0.000 1.217 4757 D CA 0.223 54.224 54.000 0.002 0.000 0.897 4757 D CB 0.906 41.707 40.800 0.002 0.000 1.132 4757 D HN -0.030 nan 8.370 nan 0.000 0.493 4758 K N 3.486 123.887 120.400 0.001 0.000 2.032 4758 K HA -0.266 4.054 4.320 0.000 0.000 0.218 4758 K C 1.238 177.837 176.600 -0.001 0.000 1.054 4758 K CA 1.547 57.834 56.287 -0.000 0.000 0.941 4758 K CB -0.020 32.480 32.500 -0.000 0.000 0.720 4758 K HN 0.584 nan 8.250 nan 0.000 0.449 4759 E N 0.568 120.767 120.200 -0.002 0.000 2.023 4759 E HA -0.203 4.147 4.350 0.000 0.000 0.196 4759 E C 2.134 178.733 176.600 -0.003 0.000 1.003 4759 E CA 1.182 57.581 56.400 -0.003 0.000 0.809 4759 E CB -0.457 29.241 29.700 -0.003 0.000 0.755 4759 E HN 0.324 nan 8.360 nan 0.000 0.449 4760 I N 0.725 121.295 120.570 -0.001 0.000 2.493 4760 I HA -0.211 3.959 4.170 0.000 0.000 0.254 4760 I C 2.087 178.204 176.117 0.000 0.000 1.160 4760 I CA 0.637 61.937 61.300 -0.000 0.000 1.445 4760 I CB -0.095 37.906 38.000 0.001 0.000 1.086 4760 I HN 0.014 nan 8.210 nan 0.000 0.433 4761 L N -0.153 121.070 121.223 0.000 0.000 2.093 4761 L HA -0.162 4.178 4.340 0.000 0.000 0.208 4761 L C 2.469 179.339 176.870 -0.001 0.000 1.085 4761 L CA 1.927 56.767 54.840 0.000 0.000 0.755 4761 L CB -1.360 40.699 42.059 0.000 0.000 0.904 4761 L HN 0.201 nan 8.230 nan 0.000 0.435 4762 T N -1.433 113.120 114.554 -0.002 0.000 2.867 4762 T HA -0.154 4.196 4.350 0.000 0.000 0.268 4762 T C 1.958 176.655 174.700 -0.005 0.000 1.057 4762 T CA 1.029 63.127 62.100 -0.004 0.000 1.136 4762 T CB 0.035 68.899 68.868 -0.006 0.000 0.874 4762 T HN 0.060 nan 8.240 nan 0.000 0.466 4763 K N 0.776 121.173 120.400 -0.004 0.000 2.103 4763 K HA 0.156 4.476 4.320 0.000 0.000 0.204 4763 K C 2.033 178.634 176.600 0.001 0.000 1.052 4763 K CA 0.535 56.820 56.287 -0.004 0.000 0.945 4763 K CB -0.336 32.162 32.500 -0.003 0.000 0.722 4763 K HN 0.201 nan 8.250 nan 0.000 0.443 4764 I N 0.741 121.313 120.570 0.003 0.000 2.142 4764 I HA -0.206 3.964 4.170 0.000 0.000 0.240 4764 I C 2.162 178.282 176.117 0.006 0.000 1.078 4764 I CA 1.503 62.806 61.300 0.006 0.000 1.343 4764 I CB -1.360 36.643 38.000 0.005 0.000 1.046 4764 I HN 0.082 nan 8.210 nan 0.000 0.405 4765 A N 0.639 123.461 122.820 0.004 0.000 1.908 4765 A HA -0.282 4.038 4.320 0.000 0.000 0.218 4765 A C 2.471 180.058 177.584 0.005 0.000 1.181 4765 A CA 2.206 54.245 52.037 0.003 0.000 0.627 4765 A CB -0.732 18.269 19.000 0.001 0.000 0.818 4765 A HN 0.481 nan 8.150 nan 0.000 0.445 4766 M N 0.306 119.907 119.600 0.002 0.000 2.086 4766 M HA -0.169 4.311 4.480 0.000 0.000 0.261 4766 M C 2.268 178.574 176.300 0.010 0.000 1.067 4766 M CA 2.554 57.854 55.300 -0.001 0.000 1.116 4766 M CB -0.504 32.088 32.600 -0.013 0.000 1.348 4766 M HN 0.600 nan 8.290 nan 0.000 0.407 4767 T N -2.458 112.105 114.554 0.015 0.000 2.867 4767 T HA -0.093 4.257 4.350 0.000 0.000 0.268 4767 T C 1.978 176.701 174.700 0.038 0.000 1.057 4767 T CA 1.589 63.709 62.100 0.033 0.000 1.136 4767 T CB -0.687 68.200 68.868 0.032 0.000 0.874 4767 T HN 0.486 nan 8.240 nan 0.000 0.466 4768 S N 1.162 116.877 115.700 0.025 0.000 2.355 4768 S HA -0.005 4.465 4.470 0.000 0.000 0.222 4768 S C 2.031 176.647 174.600 0.026 0.000 1.031 4768 S CA 0.933 59.147 58.200 0.022 0.000 0.993 4768 S CB -0.670 62.539 63.200 0.014 0.000 0.859 4768 S HN 0.585 nan 8.310 nan 0.000 0.453 4769 I N 1.716 122.300 120.570 0.024 0.000 2.264 4769 I HA -0.116 4.054 4.170 0.000 0.000 0.248 4769 I C 1.356 177.498 176.117 0.041 0.000 1.111 4769 I CA 1.017 62.333 61.300 0.026 0.000 1.382 4769 I CB -0.964 37.047 38.000 0.018 0.000 1.060 4769 I HN 0.452 nan 8.210 nan 0.000 0.418 4770 T N -0.765 113.824 114.554 0.059 0.000 2.900 4770 T HA 0.367 4.717 4.350 0.000 0.000 0.307 4770 T C 1.143 175.904 174.700 0.102 0.000 1.065 4770 T CA 0.056 62.219 62.100 0.106 0.000 1.105 4770 T CB 1.379 70.347 68.868 0.168 0.000 0.979 4770 T HN 0.599 nan 8.240 nan 0.000 0.544 4771 G N 1.402 110.272 108.800 0.117 0.000 2.176 4771 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 4771 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 4771 G C -0.039 174.882 174.900 0.036 0.000 0.979 4771 G CA 0.408 45.543 45.100 0.059 0.000 0.641 4771 G HN 0.935 nan 8.290 nan 0.000 0.530 4772 K N -0.905 119.521 120.400 0.044 0.000 2.352 4772 K HA 0.609 4.929 4.320 0.000 0.000 0.240 4772 K C 1.542 178.162 176.600 0.034 0.000 1.017 4772 K CA -0.539 55.766 56.287 0.030 0.000 0.851 4772 K CB 1.282 33.797 32.500 0.026 0.000 1.261 4772 K HN 0.169 nan 8.250 nan 0.000 0.451 4773 G N 0.395 109.211 108.800 0.027 0.000 2.448 4773 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 4773 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 4773 G C 1.266 176.183 174.900 0.028 0.000 1.127 4773 G CA 1.113 46.230 45.100 0.027 0.000 0.766 4773 G HN 0.614 nan 8.290 nan 0.000 0.552 4774 A N 1.531 124.367 122.820 0.026 0.000 2.121 4774 A HA 0.004 4.324 4.320 0.000 0.000 0.218 4774 A C 2.135 179.733 177.584 0.023 0.000 1.154 4774 A CA 1.671 53.722 52.037 0.023 0.000 0.679 4774 A CB -0.386 18.626 19.000 0.021 0.000 0.795 4774 A HN 0.656 nan 8.150 nan 0.000 0.458 4775 E N 0.526 120.745 120.200 0.031 0.000 2.401 4775 E HA -0.216 4.134 4.350 0.000 0.000 0.199 4775 E C 1.457 178.069 176.600 0.020 0.000 1.023 4775 E CA 1.228 57.647 56.400 0.031 0.000 0.859 4775 E CB -0.317 29.418 29.700 0.059 0.000 0.780 4775 E HN 0.612 nan 8.360 nan 0.000 0.523 4776 K N 0.492 120.904 120.400 0.021 0.000 2.147 4776 K HA -0.063 4.258 4.320 0.000 0.000 0.205 4776 K C 1.387 177.991 176.600 0.006 0.000 1.049 4776 K CA 1.289 57.585 56.287 0.014 0.000 0.936 4776 K CB 0.055 32.565 32.500 0.017 0.000 0.722 4776 K HN 0.229 nan 8.250 nan 0.000 0.446 4777 A N 1.269 124.093 122.820 0.006 0.000 2.676 4777 A HA 0.079 4.399 4.320 0.000 0.000 0.297 4777 A C 1.173 178.757 177.584 -0.000 0.000 1.132 4777 A CA -0.489 51.550 52.037 0.002 0.000 0.972 4777 A CB -0.097 18.906 19.000 0.006 0.000 1.197 4777 A HN 0.253 nan 8.150 nan 0.000 0.524 4778 K N 0.116 120.514 120.400 -0.002 0.000 2.286 4778 K HA -0.223 4.097 4.320 0.000 0.000 0.203 4778 K C 0.841 177.435 176.600 -0.009 0.000 1.045 4778 K CA 1.970 58.254 56.287 -0.004 0.000 0.935 4778 K CB -0.110 32.385 32.500 -0.009 0.000 0.737 4778 K HN 0.348 nan 8.250 nan 0.000 0.460 4779 E N 1.435 121.627 120.200 -0.013 0.000 2.046 4779 E HA -0.136 4.214 4.350 0.000 0.000 0.190 4779 E C 1.929 178.525 176.600 -0.007 0.000 0.982 4779 E CA 1.344 57.736 56.400 -0.013 0.000 0.800 4779 E CB -0.048 29.642 29.700 -0.016 0.000 0.756 4779 E HN 0.305 nan 8.360 nan 0.000 0.449 4780 K N 0.278 120.676 120.400 -0.004 0.000 2.057 4780 K HA -0.072 4.248 4.320 0.000 0.000 0.206 4780 K C 1.667 178.267 176.600 0.001 0.000 1.050 4780 K CA 0.793 57.080 56.287 -0.001 0.000 0.935 4780 K CB -0.228 32.273 32.500 0.002 0.000 0.715 4780 K HN -0.014 nan 8.250 nan 0.000 0.439 4781 L N 0.678 121.902 121.223 0.002 0.000 2.083 4781 L HA -0.000 4.340 4.340 0.000 0.000 0.209 4781 L C 2.301 179.172 176.870 0.002 0.000 1.083 4781 L CA 1.933 56.776 54.840 0.004 0.000 0.752 4781 L CB -1.149 40.914 42.059 0.006 0.000 0.899 4781 L HN 0.292 nan 8.230 nan 0.000 0.433 4782 A N -0.821 121.999 122.820 -0.000 0.000 1.902 4782 A HA -0.252 4.068 4.320 0.000 0.000 0.217 4782 A C 2.360 179.943 177.584 -0.002 0.000 1.181 4782 A CA 1.716 53.752 52.037 -0.002 0.000 0.623 4782 A CB -0.562 18.435 19.000 -0.004 0.000 0.818 4782 A HN 0.493 nan 8.150 nan 0.000 0.443 4783 E N -0.132 120.067 120.200 -0.002 0.000 2.077 4783 E HA -0.183 4.167 4.350 0.000 0.000 0.193 4783 E C 1.865 178.465 176.600 -0.000 0.000 0.989 4783 E CA 1.346 57.745 56.400 -0.001 0.000 0.800 4783 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 4783 E HN 0.665 nan 8.360 nan 0.000 0.452 4784 I N 0.953 121.524 120.570 0.001 0.000 2.226 4784 I HA -0.271 3.899 4.170 0.000 0.000 0.245 4784 I C 2.223 178.340 176.117 -0.000 0.000 1.100 4784 I CA 0.642 61.944 61.300 0.002 0.000 1.374 4784 I CB -0.173 37.830 38.000 0.005 0.000 1.057 4784 I HN 0.259 nan 8.210 nan 0.000 0.413 4785 I N 0.526 121.095 120.570 -0.001 0.000 2.353 4785 I HA -0.141 4.029 4.170 0.000 0.000 0.248 4785 I C 2.680 178.795 176.117 -0.004 0.000 1.119 4785 I CA 1.419 62.718 61.300 -0.003 0.000 1.417 4785 I CB -1.018 36.982 38.000 -0.001 0.000 1.078 4785 I HN 0.199 nan 8.210 nan 0.000 0.421 4786 V N -1.110 118.803 119.914 -0.003 0.000 2.809 4786 V HA -0.120 4.000 4.120 0.000 0.000 0.256 4786 V C 2.179 178.270 176.094 -0.004 0.000 1.080 4786 V CA 1.580 63.878 62.300 -0.003 0.000 1.102 4786 V CB -0.819 31.003 31.823 -0.002 0.000 0.705 4786 V HN 0.433 nan 8.190 nan 0.000 0.475 4787 E N 1.080 121.278 120.200 -0.004 0.000 2.076 4787 E HA -0.038 4.312 4.350 0.000 0.000 0.190 4787 E C 2.206 178.799 176.600 -0.011 0.000 0.979 4787 E CA 1.120 57.517 56.400 -0.005 0.000 0.807 4787 E CB -0.241 29.457 29.700 -0.003 0.000 0.761 4787 E HN 0.641 nan 8.360 nan 0.000 0.454 4788 A N 0.741 123.554 122.820 -0.012 0.000 1.858 4788 A HA -0.139 4.181 4.320 0.000 0.000 0.216 4788 A C 2.387 179.958 177.584 -0.022 0.000 1.190 4788 A CA 1.606 53.633 52.037 -0.018 0.000 0.617 4788 A CB -0.779 18.212 19.000 -0.015 0.000 0.827 4788 A HN 0.226 nan 8.150 nan 0.000 0.443 4789 V N -0.281 119.623 119.914 -0.015 0.000 2.515 4789 V HA -0.169 3.951 4.120 0.000 0.000 0.250 4789 V C 2.762 178.848 176.094 -0.014 0.000 1.058 4789 V CA 2.153 64.445 62.300 -0.014 0.000 1.064 4789 V CB -0.590 31.228 31.823 -0.009 0.000 0.675 4789 V HN 0.670 nan 8.190 nan 0.000 0.461 4790 S N -0.009 115.684 115.700 -0.011 0.000 2.383 4790 S HA -0.119 4.351 4.470 0.000 0.000 0.227 4790 S C 2.108 176.699 174.600 -0.015 0.000 1.026 4790 S CA 1.459 59.654 58.200 -0.008 0.000 0.981 4790 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 4790 S HN 0.597 nan 8.310 nan 0.000 0.472 4791 A N 1.065 123.866 122.820 -0.031 0.000 1.873 4791 A HA 0.026 4.346 4.320 0.000 0.000 0.215 4791 A C 2.374 179.903 177.584 -0.091 0.000 1.186 4791 A CA 1.756 53.755 52.037 -0.063 0.000 0.616 4791 A CB -0.982 17.977 19.000 -0.068 0.000 0.823 4791 A HN 0.941 nan 8.150 nan 0.000 0.442 4792 V N -3.066 116.809 119.914 -0.065 0.000 2.788 4792 V HA -0.008 4.113 4.120 0.000 0.000 0.251 4792 V C 2.093 178.166 176.094 -0.035 0.000 1.068 4792 V CA 1.484 63.746 62.300 -0.063 0.000 1.090 4792 V CB -0.548 31.247 31.823 -0.048 0.000 0.710 4792 V HN 0.205 nan 8.190 nan 0.000 0.467 4793 V N 0.498 120.400 119.914 -0.019 0.000 2.515 4793 V HA -0.093 4.027 4.120 0.000 0.000 0.250 4793 V C 1.610 177.713 176.094 0.015 0.000 1.058 4793 V CA 2.401 64.700 62.300 -0.002 0.000 1.064 4793 V CB -0.533 31.290 31.823 0.001 0.000 0.675 4793 V HN 0.869 nan 8.190 nan 0.000 0.461 4794 D N -0.757 119.658 120.400 0.024 0.000 4.344 4794 D HA -0.223 4.417 4.640 0.000 0.000 0.144 4794 D C 0.552 176.886 176.300 0.056 0.000 0.730 4794 D CA 1.935 55.978 54.000 0.073 0.000 1.156 4794 D CB -1.242 39.623 40.800 0.109 0.000 0.570 4794 D HN 0.565 nan 8.370 nan 0.000 0.533 4795 D N 1.634 122.062 120.400 0.047 0.000 2.398 4795 D HA 0.236 4.876 4.640 0.000 0.000 0.247 4795 D C -0.237 176.075 176.300 0.020 0.000 1.227 4795 D CA 0.168 54.186 54.000 0.030 0.000 0.980 4795 D CB 0.610 41.424 40.800 0.024 0.000 1.106 4795 D HN 0.262 nan 8.370 nan 0.000 0.493 4796 E N 0.027 120.236 120.200 0.015 0.000 2.079 4796 E HA 0.518 4.868 4.350 0.000 0.000 0.252 4796 E C -0.703 175.902 176.600 0.009 0.000 0.992 4796 E CA -0.509 55.898 56.400 0.011 0.000 0.829 4796 E CB -0.344 29.362 29.700 0.009 0.000 1.158 4796 E HN 0.515 nan 8.360 nan 0.000 0.435 4797 G N 2.744 111.549 108.800 0.008 0.000 2.358 4797 G HA2 0.173 4.134 3.960 0.000 0.000 0.303 4797 G HA3 0.173 4.134 3.960 0.000 0.000 0.303 4797 G C -1.867 173.037 174.900 0.007 0.000 1.537 4797 G CA -0.844 44.261 45.100 0.009 0.000 0.928 4797 G HN 0.194 nan 8.290 nan 0.000 0.656 4798 K N 0.435 120.839 120.400 0.006 0.000 2.561 4798 K HA 0.577 4.897 4.320 0.000 0.000 0.254 4798 K C -1.425 175.177 176.600 0.002 0.000 0.942 4798 K CA -0.538 55.751 56.287 0.004 0.000 0.818 4798 K CB 2.306 34.808 32.500 0.004 0.000 1.306 4798 K HN 0.601 nan 8.250 nan 0.000 0.435 4799 V N 2.931 122.845 119.914 -0.000 0.000 2.459 4799 V HA 0.346 4.467 4.120 0.000 0.000 0.295 4799 V C -0.537 175.554 176.094 -0.005 0.000 1.029 4799 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 4799 V CB 1.677 33.498 31.823 -0.004 0.000 0.985 4799 V HN 0.673 nan 8.190 nan 0.000 0.438 4800 D N 3.311 123.706 120.400 -0.008 0.000 2.471 4800 D HA 0.240 4.880 4.640 0.000 0.000 0.245 4800 D C 0.778 177.070 176.300 -0.013 0.000 1.116 4800 D CA -0.553 53.441 54.000 -0.009 0.000 0.853 4800 D CB 1.816 42.610 40.800 -0.009 0.000 1.123 4800 D HN 0.523 nan 8.370 nan 0.000 0.540 4801 K N 2.733 123.126 120.400 -0.012 0.000 2.218 4801 K HA -0.236 4.084 4.320 0.000 0.000 0.205 4801 K C 0.921 177.511 176.600 -0.018 0.000 1.046 4801 K CA 1.401 57.680 56.287 -0.014 0.000 0.933 4801 K CB 0.162 32.656 32.500 -0.011 0.000 0.728 4801 K HN 0.349 nan 8.250 nan 0.000 0.454 4802 D N 0.260 120.649 120.400 -0.018 0.000 2.309 4802 D HA -0.126 4.514 4.640 0.000 0.000 0.212 4802 D C 1.484 177.766 176.300 -0.029 0.000 0.968 4802 D CA 0.777 54.764 54.000 -0.023 0.000 0.882 4802 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 4802 D HN 0.282 nan 8.370 nan 0.000 0.503 4803 L N -0.355 120.851 121.223 -0.028 0.000 2.492 4803 L HA 0.171 4.512 4.340 0.000 0.000 0.223 4803 L C 0.410 177.257 176.870 -0.039 0.000 1.132 4803 L CA 0.204 55.023 54.840 -0.035 0.000 0.850 4803 L CB 0.152 42.192 42.059 -0.032 0.000 0.966 4803 L HN 0.015 nan 8.230 nan 0.000 0.454 4804 I N 0.630 121.179 120.570 -0.034 0.000 2.420 4804 I HA 0.180 4.350 4.170 0.000 0.000 0.282 4804 I C 0.023 176.119 176.117 -0.035 0.000 1.019 4804 I CA -0.394 60.886 61.300 -0.034 0.000 1.130 4804 I CB 1.629 39.613 38.000 -0.026 0.000 1.262 4804 I HN -0.040 nan 8.210 nan 0.000 0.454 4805 K N 6.765 127.139 120.400 -0.044 0.000 2.249 4805 K HA 0.405 4.725 4.320 0.000 0.000 0.280 4805 K C -0.634 175.942 176.600 -0.041 0.000 1.033 4805 K CA -0.479 55.780 56.287 -0.047 0.000 0.946 4805 K CB 0.904 33.365 32.500 -0.065 0.000 1.005 4805 K HN 0.460 nan 8.250 nan 0.000 0.469 4806 I N 4.258 124.807 120.570 -0.035 0.000 2.347 4806 I HA 0.184 4.354 4.170 0.000 0.000 0.283 4806 I C -0.217 175.881 176.117 -0.032 0.000 1.058 4806 I CA -0.550 60.734 61.300 -0.027 0.000 1.202 4806 I CB 0.424 38.413 38.000 -0.018 0.000 1.386 4806 I HN 0.668 nan 8.210 nan 0.000 0.475 4807 E N 6.775 126.952 120.200 -0.037 0.000 2.204 4807 E HA 0.589 4.939 4.350 0.000 0.000 0.276 4807 E C -0.783 175.802 176.600 -0.025 0.000 0.974 4807 E CA -0.633 55.741 56.400 -0.043 0.000 0.815 4807 E CB 1.396 31.052 29.700 -0.073 0.000 1.119 4807 E HN 0.544 nan 8.360 nan 0.000 0.393 4808 K N 1.924 122.311 120.400 -0.022 0.000 2.468 4808 K HA 0.697 5.018 4.320 0.000 0.000 0.252 4808 K C -1.250 175.345 176.600 -0.008 0.000 0.932 4808 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 4808 K CB 1.843 34.337 32.500 -0.009 0.000 1.241 4808 K HN 0.189 nan 8.250 nan 0.000 0.428 4809 K N 1.599 122.002 120.400 0.004 0.000 2.588 4809 K HA 0.191 4.511 4.320 0.000 0.000 0.250 4809 K C -1.000 175.608 176.600 0.012 0.000 0.972 4809 K CA -0.341 55.951 56.287 0.009 0.000 0.821 4809 K CB 1.910 34.425 32.500 0.026 0.000 1.249 4809 K HN 0.853 nan 8.250 nan 0.000 0.442 4810 S N 2.002 117.703 115.700 0.001 0.000 2.576 4810 S HA 0.685 5.155 4.470 0.000 0.000 0.272 4810 S C 0.531 175.137 174.600 0.011 0.000 1.352 4810 S CA 0.501 58.702 58.200 0.001 0.000 1.021 4810 S CB 0.513 63.706 63.200 -0.011 0.000 0.887 4810 S HN 1.384 nan 8.310 nan 0.000 0.542 4811 G N -0.063 108.743 108.800 0.011 0.000 2.484 4811 G HA2 0.483 4.443 3.960 0.000 0.000 0.685 4811 G HA3 0.483 4.443 3.960 0.000 0.000 0.685 4811 G C -0.060 174.849 174.900 0.015 0.000 1.294 4811 G CA -0.008 45.100 45.100 0.013 0.000 0.879 4811 G HN 2.454 nan 8.290 nan 0.000 0.646 4812 A N -0.710 122.118 122.820 0.013 0.000 5.953 4812 A HA 0.384 4.704 4.320 0.000 0.000 0.267 4812 A C 1.164 178.755 177.584 0.012 0.000 2.116 4812 A CA 1.984 54.028 52.037 0.012 0.000 0.711 4812 A CB -1.623 17.385 19.000 0.014 0.000 1.100 4812 A HN 2.726 nan 8.150 nan 0.000 0.364 4813 S N -2.592 113.115 115.700 0.012 0.000 2.810 4813 S HA 0.750 5.220 4.470 0.000 0.000 0.315 4813 S C 1.302 175.911 174.600 0.014 0.000 1.138 4813 S CA 0.011 58.219 58.200 0.013 0.000 0.889 4813 S CB 0.920 64.127 63.200 0.011 0.000 1.236 4813 S HN 0.966 nan 8.310 nan 0.000 0.548 4814 I N 1.195 121.773 120.570 0.014 0.000 2.315 4814 I HA -0.091 4.079 4.170 0.000 0.000 0.248 4814 I C 1.931 178.056 176.117 0.013 0.000 1.117 4814 I CA 1.391 62.700 61.300 0.015 0.000 1.404 4814 I CB -0.302 37.707 38.000 0.015 0.000 1.071 4814 I HN 0.694 nan 8.210 nan 0.000 0.419 4815 D N 1.017 121.423 120.400 0.011 0.000 2.221 4815 D HA -0.211 4.429 4.640 0.000 0.000 0.204 4815 D C 1.593 177.898 176.300 0.010 0.000 0.982 4815 D CA 1.141 55.146 54.000 0.008 0.000 0.857 4815 D CB -0.016 40.788 40.800 0.005 0.000 0.934 4815 D HN 0.248 nan 8.370 nan 0.000 0.475 4816 D N -0.435 119.972 120.400 0.012 0.000 2.347 4816 D HA -0.037 4.603 4.640 0.000 0.000 0.215 4816 D C 0.239 176.552 176.300 0.022 0.000 0.976 4816 D CA 0.391 54.400 54.000 0.014 0.000 0.884 4816 D CB -0.188 40.620 40.800 0.014 0.000 0.915 4816 D HN 0.162 nan 8.370 nan 0.000 0.526 4817 T N 1.513 116.080 114.554 0.022 0.000 2.933 4817 T HA 0.085 4.435 4.350 0.000 0.000 0.306 4817 T C 0.303 175.019 174.700 0.027 0.000 1.045 4817 T CA 0.689 62.804 62.100 0.026 0.000 1.143 4817 T CB 0.966 69.846 68.868 0.019 0.000 1.003 4817 T HN 0.033 nan 8.240 nan 0.000 0.540 4818 E N 1.626 121.848 120.200 0.037 0.000 2.372 4818 E HA 0.527 4.877 4.350 0.000 0.000 0.279 4818 E C -1.890 174.737 176.600 0.045 0.000 0.946 4818 E CA -0.830 55.593 56.400 0.039 0.000 0.769 4818 E CB 1.087 30.815 29.700 0.046 0.000 1.230 4818 E HN 0.367 nan 8.360 nan 0.000 0.442 4819 L N 3.901 125.145 121.223 0.035 0.000 2.289 4819 L HA 0.622 4.962 4.340 0.000 0.000 0.285 4819 L C -1.248 175.648 176.870 0.043 0.000 1.049 4819 L CA -0.247 54.610 54.840 0.028 0.000 0.804 4819 L CB 0.841 42.908 42.059 0.012 0.000 1.195 4819 L HN 0.596 nan 8.230 nan 0.000 0.428 4820 I N 4.752 125.349 120.570 0.045 0.000 2.354 4820 I HA 0.300 4.470 4.170 0.000 0.000 0.286 4820 I C -0.106 176.027 176.117 0.026 0.000 1.007 4820 I CA -0.443 60.896 61.300 0.065 0.000 1.167 4820 I CB 1.197 39.266 38.000 0.114 0.000 1.320 4820 I HN 0.425 nan 8.210 nan 0.000 0.458 4821 K N 5.266 125.679 120.400 0.023 0.000 2.199 4821 K HA 0.551 4.871 4.320 0.000 0.000 0.226 4821 K C 0.513 177.112 176.600 -0.001 0.000 1.237 4821 K CA -0.077 56.209 56.287 -0.001 0.000 1.170 4821 K CB -0.286 32.213 32.500 -0.003 0.000 1.418 4821 K HN 0.869 nan 8.250 nan 0.000 0.255 4822 G N -1.375 107.418 108.800 -0.012 0.000 2.512 4822 G HA2 0.166 4.127 3.960 0.000 0.000 0.181 4822 G HA3 0.166 4.127 3.960 0.000 0.000 0.181 4822 G C -1.624 173.248 174.900 -0.048 0.000 1.173 4822 G CA -0.739 44.348 45.100 -0.021 0.000 0.988 4822 G HN 0.042 nan 8.290 nan 0.000 0.485 4823 V N 0.834 120.710 119.914 -0.064 0.000 2.487 4823 V HA 0.693 4.813 4.120 0.000 0.000 0.298 4823 V C -0.902 175.103 176.094 -0.149 0.000 1.028 4823 V CA -0.592 61.637 62.300 -0.119 0.000 0.860 4823 V CB 1.449 33.170 31.823 -0.171 0.000 0.991 4823 V HN 0.889 nan 8.190 nan 0.000 0.427 4824 L N 7.611 128.710 121.223 -0.207 0.000 2.298 4824 L HA 0.842 5.182 4.340 0.000 0.000 0.284 4824 L C -0.383 176.329 176.870 -0.264 0.000 1.013 4824 L CA -0.177 54.451 54.840 -0.354 0.000 0.824 4824 L CB 1.648 43.390 42.059 -0.528 0.000 1.221 4824 L HN 0.582 nan 8.230 nan 0.000 0.418 4825 V N 1.585 121.366 119.914 -0.222 0.000 2.715 4825 V HA 0.633 4.754 4.120 0.000 0.000 0.310 4825 V C -0.369 175.668 176.094 -0.097 0.000 1.054 4825 V CA -0.523 61.701 62.300 -0.128 0.000 0.928 4825 V CB 1.820 33.602 31.823 -0.068 0.000 1.007 4825 V HN 0.812 nan 8.190 nan 0.000 0.437 4826 D N 1.002 121.366 120.400 -0.061 0.000 3.134 4826 D HA 0.327 4.967 4.640 0.000 0.000 0.248 4826 D C -0.115 176.188 176.300 0.005 0.000 1.273 4826 D CA -0.218 53.762 54.000 -0.032 0.000 0.904 4826 D CB 0.215 40.997 40.800 -0.030 0.000 1.089 4826 D HN 0.547 nan 8.370 nan 0.000 0.478 4827 K N 0.238 120.655 120.400 0.029 0.000 2.352 4827 K HA 0.558 4.878 4.320 0.000 0.000 0.240 4827 K C 0.003 176.636 176.600 0.055 0.000 1.017 4827 K CA -0.865 55.455 56.287 0.055 0.000 0.851 4827 K CB 1.942 34.503 32.500 0.102 0.000 1.261 4827 K HN 0.294 nan 8.250 nan 0.000 0.451 4828 E N -0.156 120.069 120.200 0.042 0.000 2.416 4828 E HA 0.455 4.805 4.350 0.000 0.000 0.273 4828 E C -0.965 175.638 176.600 0.005 0.000 0.935 4828 E CA -1.092 55.326 56.400 0.029 0.000 0.784 4828 E CB 1.447 31.162 29.700 0.024 0.000 1.301 4828 E HN 0.281 nan 8.360 nan 0.000 0.454 4829 R N 0.922 121.419 120.500 -0.006 0.000 2.401 4829 R HA 0.075 4.415 4.340 0.000 0.000 0.299 4829 R C 1.339 177.625 176.300 -0.023 0.000 1.064 4829 R CA 0.252 56.333 56.100 -0.032 0.000 1.000 4829 R CB 0.876 31.158 30.300 -0.031 0.000 0.973 4829 R HN 0.577 nan 8.270 nan 0.000 0.438 4830 V N -0.136 119.759 119.914 -0.030 0.000 2.867 4830 V HA -0.115 4.005 4.120 0.000 0.000 0.260 4830 V C 0.773 176.859 176.094 -0.012 0.000 1.099 4830 V CA 1.228 63.517 62.300 -0.017 0.000 1.122 4830 V CB -0.152 31.660 31.823 -0.018 0.000 0.708 4830 V HN 0.561 nan 8.190 nan 0.000 0.490 4831 S N -1.013 114.677 115.700 -0.018 0.000 2.521 4831 S HA 0.774 5.244 4.470 0.000 0.000 0.295 4831 S C 0.875 175.466 174.600 -0.014 0.000 1.098 4831 S CA -0.128 58.065 58.200 -0.013 0.000 0.999 4831 S CB 1.858 65.047 63.200 -0.017 0.000 1.034 4831 S HN 0.724 nan 8.310 nan 0.000 0.483 4832 A N 3.019 125.835 122.820 -0.007 0.000 2.070 4832 A HA -0.077 4.243 4.320 0.000 0.000 0.220 4832 A C 1.874 179.451 177.584 -0.011 0.000 1.159 4832 A CA 1.887 53.920 52.037 -0.006 0.000 0.656 4832 A CB -0.675 18.324 19.000 -0.001 0.000 0.800 4832 A HN 0.809 nan 8.150 nan 0.000 0.453 4833 Q N -0.528 119.261 119.800 -0.017 0.000 2.378 4833 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 4833 Q C 0.712 176.690 176.000 -0.037 0.000 0.954 4833 Q CA 0.415 56.201 55.803 -0.028 0.000 0.901 4833 Q CB -0.457 28.254 28.738 -0.045 0.000 0.981 4833 Q HN 0.679 nan 8.270 nan 0.000 0.483 4834 M N 2.252 121.829 119.600 -0.037 0.000 2.245 4834 M HA 0.193 4.673 4.480 0.000 0.000 0.344 4834 M C -1.920 174.363 176.300 -0.029 0.000 1.170 4834 M CA -1.736 53.540 55.300 -0.040 0.000 1.135 4834 M CB 0.388 32.961 32.600 -0.044 0.000 1.574 4834 M HN -0.054 nan 8.290 nan 0.000 0.452 4835 P HA -0.022 nan 4.420 nan 0.000 0.265 4835 P C -0.237 177.055 177.300 -0.013 0.000 1.187 4835 P CA 0.247 63.336 63.100 -0.018 0.000 0.766 4835 P CB 0.467 32.156 31.700 -0.017 0.000 0.820 4836 K N 2.255 122.651 120.400 -0.006 0.000 2.426 4836 K HA 0.008 4.328 4.320 0.000 0.000 0.193 4836 K C 0.147 176.753 176.600 0.010 0.000 1.028 4836 K CA 0.478 56.766 56.287 0.002 0.000 1.047 4836 K CB 0.094 32.595 32.500 0.002 0.000 0.821 4836 K HN 0.448 nan 8.250 nan 0.000 0.513 4837 K N -0.716 119.688 120.400 0.006 0.000 2.561 4837 K HA 0.263 4.583 4.320 0.000 0.000 0.254 4837 K C -1.541 175.065 176.600 0.009 0.000 0.942 4837 K CA -0.942 55.353 56.287 0.012 0.000 0.818 4837 K CB 2.045 34.549 32.500 0.007 0.000 1.306 4837 K HN -0.218 nan 8.250 nan 0.000 0.435 4838 V N 2.206 122.130 119.914 0.017 0.000 2.531 4838 V HA 0.438 4.558 4.120 0.000 0.000 0.301 4838 V C -0.156 175.952 176.094 0.023 0.000 1.034 4838 V CA -0.528 61.781 62.300 0.014 0.000 0.865 4838 V CB 1.811 33.639 31.823 0.009 0.000 0.995 4838 V HN 0.996 nan 8.190 nan 0.000 0.424 4839 T N 0.016 114.580 114.554 0.017 0.000 2.929 4839 T HA 0.534 4.884 4.350 0.000 0.000 0.284 4839 T C 0.178 174.891 174.700 0.021 0.000 1.014 4839 T CA -0.218 61.894 62.100 0.020 0.000 1.051 4839 T CB 1.277 70.153 68.868 0.014 0.000 1.028 4839 T HN 0.777 nan 8.240 nan 0.000 0.485 4840 D N 0.147 120.562 120.400 0.024 0.000 2.689 4840 D HA -0.156 4.484 4.640 0.000 0.000 0.237 4840 D C 0.303 176.619 176.300 0.028 0.000 1.148 4840 D CA 0.825 54.839 54.000 0.024 0.000 0.656 4840 D CB -1.279 39.532 40.800 0.018 0.000 1.050 4840 D HN 1.100 nan 8.370 nan 0.000 0.426 4841 A N 1.347 124.189 122.820 0.036 0.000 2.511 4841 A HA 0.355 4.675 4.320 0.000 0.000 0.242 4841 A C 0.509 178.121 177.584 0.046 0.000 1.069 4841 A CA 0.199 52.261 52.037 0.042 0.000 0.763 4841 A CB 0.546 19.582 19.000 0.060 0.000 1.001 4841 A HN 0.157 nan 8.150 nan 0.000 0.498 4842 K N 3.025 123.449 120.400 0.040 0.000 2.404 4842 K HA 0.383 4.703 4.320 0.000 0.000 0.257 4842 K C -1.213 175.420 176.600 0.055 0.000 1.026 4842 K CA -0.247 56.064 56.287 0.041 0.000 0.951 4842 K CB 0.935 33.452 32.500 0.027 0.000 1.203 4842 K HN 0.524 nan 8.250 nan 0.000 0.446 4843 I N 2.141 122.760 120.570 0.082 0.000 2.371 4843 I HA 0.201 4.371 4.170 0.000 0.000 0.290 4843 I C 0.371 176.556 176.117 0.112 0.000 1.028 4843 I CA -0.145 61.235 61.300 0.133 0.000 1.345 4843 I CB 1.360 39.475 38.000 0.193 0.000 1.407 4843 I HN 0.517 nan 8.210 nan 0.000 0.501 4844 A N 7.501 130.391 122.820 0.117 0.000 2.330 4844 A HA 0.856 5.176 4.320 0.000 0.000 0.327 4844 A C -0.793 176.876 177.584 0.142 0.000 1.155 4844 A CA -0.569 51.524 52.037 0.094 0.000 0.803 4844 A CB 0.706 19.739 19.000 0.054 0.000 1.208 4844 A HN 0.653 nan 8.150 nan 0.000 0.477 4845 L N 3.410 124.696 121.223 0.105 0.000 2.318 4845 L HA 0.420 4.760 4.340 0.000 0.000 0.277 4845 L C -0.919 175.993 176.870 0.070 0.000 1.008 4845 L CA -0.081 54.822 54.840 0.105 0.000 0.846 4845 L CB 0.960 43.060 42.059 0.068 0.000 1.220 4845 L HN 0.572 nan 8.230 nan 0.000 0.423 4846 L N 2.759 124.027 121.223 0.075 0.000 2.325 4846 L HA 0.432 4.772 4.340 0.000 0.000 0.278 4846 L C 0.785 177.684 176.870 0.049 0.000 1.023 4846 L CA -0.341 54.531 54.840 0.052 0.000 0.811 4846 L CB 1.903 43.990 42.059 0.046 0.000 1.249 4846 L HN 0.518 nan 8.230 nan 0.000 0.431 4847 N N 0.823 119.544 118.700 0.036 0.000 2.454 4847 N HA -0.016 4.724 4.740 0.000 0.000 0.177 4847 N C 0.500 176.027 175.510 0.027 0.000 1.049 4847 N CA -0.025 53.043 53.050 0.030 0.000 0.887 4847 N CB 0.331 38.831 38.487 0.022 0.000 1.095 4847 N HN 0.743 nan 8.380 nan 0.000 0.446 4848 C N 1.347 120.662 119.300 0.025 0.000 2.700 4848 C HA 0.779 5.239 4.460 0.000 0.000 0.397 4848 C C 0.984 175.990 174.990 0.025 0.000 1.301 4848 C CA -1.341 57.691 59.018 0.023 0.000 2.219 4848 C CB -0.448 27.305 27.740 0.021 0.000 2.699 4848 C HN 0.426 nan 8.230 nan 0.000 0.669 4849 A N 2.774 125.608 122.820 0.023 0.000 2.388 4849 A HA 0.580 4.900 4.320 0.000 0.000 0.257 4849 A C 0.183 177.782 177.584 0.026 0.000 1.095 4849 A CA -0.598 51.454 52.037 0.024 0.000 0.791 4849 A CB -0.059 18.954 19.000 0.022 0.000 1.029 4849 A HN 0.901 nan 8.150 nan 0.000 0.489 4850 I N 2.759 123.345 120.570 0.027 0.000 2.206 4850 I HA 0.182 4.352 4.170 0.000 0.000 0.292 4850 I C 0.441 176.579 176.117 0.035 0.000 1.156 4850 I CA 0.246 61.565 61.300 0.031 0.000 1.356 4850 I CB -0.694 37.325 38.000 0.032 0.000 1.494 4850 I HN 0.870 nan 8.210 nan 0.000 0.601 4851 E N 3.926 124.146 120.200 0.033 0.000 2.456 4851 E HA 0.469 4.819 4.350 0.000 0.000 0.276 4851 E C -0.752 175.868 176.600 0.034 0.000 0.981 4851 E CA -1.179 55.241 56.400 0.034 0.000 0.814 4851 E CB 1.513 31.230 29.700 0.028 0.000 1.382 4851 E HN 0.020 nan 8.360 nan 0.000 0.459 4852 I N 2.249 122.841 120.570 0.036 0.000 2.705 4852 I HA -0.029 4.141 4.170 0.000 0.000 0.291 4852 I C 0.654 176.790 176.117 0.031 0.000 1.146 4852 I CA 0.463 61.785 61.300 0.037 0.000 1.383 4852 I CB -0.378 37.647 38.000 0.042 0.000 1.454 4852 I HN 0.328 nan 8.210 nan 0.000 0.581 4853 K N 5.192 125.609 120.400 0.028 0.000 2.511 4853 K HA -0.058 4.262 4.320 0.000 0.000 0.280 4853 K C 0.039 176.654 176.600 0.024 0.000 1.008 4853 K CA 0.219 56.520 56.287 0.024 0.000 1.050 4853 K CB 0.389 32.903 32.500 0.022 0.000 0.889 4853 K HN 0.466 nan 8.250 nan 0.000 0.484 4854 E N 2.239 122.451 120.200 0.020 0.000 2.179 4854 E HA 0.151 4.501 4.350 0.000 0.000 0.275 4854 E C -0.835 175.775 176.600 0.015 0.000 0.945 4854 E CA -0.553 55.858 56.400 0.018 0.000 0.792 4854 E CB 0.987 30.695 29.700 0.014 0.000 1.125 4854 E HN 0.578 nan 8.360 nan 0.000 0.397 4855 T N 1.933 116.496 114.554 0.015 0.000 2.903 4855 T HA 0.095 4.445 4.350 0.000 0.000 0.314 4855 T C 0.886 175.592 174.700 0.010 0.000 1.078 4855 T CA -0.490 61.619 62.100 0.014 0.000 1.114 4855 T CB 0.752 69.629 68.868 0.015 0.000 0.987 4855 T HN 0.448 nan 8.240 nan 0.000 0.548 4856 E N 0.723 120.929 120.200 0.010 0.000 2.046 4856 E HA -0.026 4.324 4.350 0.000 0.000 0.190 4856 E C 1.302 177.906 176.600 0.006 0.000 0.982 4856 E CA 0.901 57.306 56.400 0.008 0.000 0.800 4856 E CB -0.580 29.124 29.700 0.008 0.000 0.756 4856 E HN 0.795 nan 8.360 nan 0.000 0.449 4857 T N 1.852 116.409 114.554 0.006 0.000 2.930 4857 T HA -0.005 4.345 4.350 0.000 0.000 0.306 4857 T C -0.327 174.375 174.700 0.004 0.000 1.045 4857 T CA -0.610 61.493 62.100 0.005 0.000 1.134 4857 T CB 0.356 69.228 68.868 0.006 0.000 0.961 4857 T HN -0.178 nan 8.240 nan 0.000 0.545 4858 D N 2.734 123.135 120.400 0.002 0.000 2.450 4858 D HA 0.471 5.111 4.640 0.000 0.000 0.247 4858 D C -0.247 176.052 176.300 -0.002 0.000 1.162 4858 D CA 0.516 54.515 54.000 -0.001 0.000 0.879 4858 D CB 0.705 41.504 40.800 -0.002 0.000 1.163 4858 D HN 0.743 nan 8.370 nan 0.000 0.472 4859 A N 2.803 125.621 122.820 -0.004 0.000 2.547 4859 A HA 0.601 4.921 4.320 0.000 0.000 0.297 4859 A C -0.785 176.789 177.584 -0.017 0.000 1.056 4859 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 4859 A CB 1.656 20.657 19.000 0.002 0.000 1.282 4859 A HN 0.459 nan 8.150 nan 0.000 0.400 4860 E N 0.858 121.041 120.200 -0.029 0.000 2.356 4860 E HA 0.503 4.853 4.350 0.000 0.000 0.275 4860 E C -1.465 175.085 176.600 -0.083 0.000 0.904 4860 E CA -0.836 55.533 56.400 -0.053 0.000 0.757 4860 E CB 2.300 31.970 29.700 -0.049 0.000 1.232 4860 E HN 0.494 nan 8.360 nan 0.000 0.442 4861 I N 2.054 122.536 120.570 -0.147 0.000 2.472 4861 I HA 0.183 4.353 4.170 0.000 0.000 0.290 4861 I C -0.011 175.959 176.117 -0.246 0.000 1.016 4861 I CA -0.253 60.884 61.300 -0.271 0.000 1.348 4861 I CB 0.483 38.152 38.000 -0.552 0.000 1.417 4861 I HN 0.195 nan 8.210 nan 0.000 0.521 4862 R N 6.975 127.346 120.500 -0.216 0.000 2.363 4862 R HA 0.478 4.818 4.340 0.000 0.000 0.297 4862 R C -0.926 175.300 176.300 -0.123 0.000 1.208 4862 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 4862 R CB 0.679 30.939 30.300 -0.068 0.000 1.124 4862 R HN 0.547 nan 8.270 nan 0.000 0.561 4863 I N 0.970 121.451 120.570 -0.147 0.000 2.395 4863 I HA 0.112 4.282 4.170 0.000 0.000 0.289 4863 I C 1.318 177.430 176.117 -0.009 0.000 1.023 4863 I CA 0.263 61.526 61.300 -0.062 0.000 1.350 4863 I CB 1.548 39.509 38.000 -0.066 0.000 1.409 4863 I HN 0.357 nan 8.210 nan 0.000 0.507 4864 T N 3.110 117.682 114.554 0.030 0.000 3.262 4864 T HA 0.113 4.463 4.350 0.000 0.000 0.300 4864 T C -0.502 174.219 174.700 0.035 0.000 0.959 4864 T CA -0.154 61.961 62.100 0.024 0.000 0.936 4864 T CB -0.212 68.668 68.868 0.019 0.000 1.169 4864 T HN 0.619 nan 8.240 nan 0.000 0.532 4865 D N 0.639 121.070 120.400 0.052 0.000 2.896 4865 D HA 0.356 4.996 4.640 0.000 0.000 0.241 4865 D C -2.188 174.144 176.300 0.052 0.000 1.188 4865 D CA -1.811 52.218 54.000 0.048 0.000 0.879 4865 D CB 2.851 43.682 40.800 0.051 0.000 1.553 4865 D HN -0.154 nan 8.370 nan 0.000 0.515 4866 P HA -0.134 nan 4.420 nan 0.000 0.217 4866 P C 0.962 178.285 177.300 0.039 0.000 1.148 4866 P CA 1.348 64.468 63.100 0.034 0.000 0.834 4866 P CB 0.335 32.049 31.700 0.023 0.000 0.783 4867 A N -0.299 122.543 122.820 0.036 0.000 1.898 4867 A HA -0.193 4.127 4.320 0.000 0.000 0.216 4867 A C 2.083 179.694 177.584 0.044 0.000 1.181 4867 A CA 1.580 53.635 52.037 0.030 0.000 0.620 4867 A CB -0.881 18.130 19.000 0.017 0.000 0.819 4867 A HN 0.151 nan 8.150 nan 0.000 0.442 4868 K N -0.812 119.636 120.400 0.081 0.000 2.148 4868 K HA -0.046 4.274 4.320 0.000 0.000 0.204 4868 K C 1.821 178.575 176.600 0.256 0.000 1.050 4868 K CA 1.043 57.429 56.287 0.166 0.000 0.942 4868 K CB -0.307 32.344 32.500 0.252 0.000 0.724 4868 K HN 0.376 nan 8.250 nan 0.000 0.446 4869 L N 0.999 122.317 121.223 0.159 0.000 2.042 4869 L HA -0.199 4.141 4.340 0.000 0.000 0.210 4869 L C 1.995 178.938 176.870 0.122 0.000 1.076 4869 L CA 1.771 56.689 54.840 0.130 0.000 0.749 4869 L CB -0.223 41.877 42.059 0.069 0.000 0.893 4869 L HN 0.178 nan 8.230 nan 0.000 0.432 4870 M N -1.267 118.383 119.600 0.084 0.000 2.193 4870 M HA -0.067 4.413 4.480 0.000 0.000 0.265 4870 M C 2.150 178.475 176.300 0.042 0.000 1.071 4870 M CA 1.135 56.467 55.300 0.054 0.000 1.140 4870 M CB -1.106 31.512 32.600 0.030 0.000 1.369 4870 M HN 0.247 nan 8.290 nan 0.000 0.423 4871 E N 0.013 120.224 120.200 0.019 0.000 2.051 4871 E HA -0.136 4.214 4.350 0.000 0.000 0.192 4871 E C 2.071 178.609 176.600 -0.103 0.000 0.991 4871 E CA 1.403 57.753 56.400 -0.082 0.000 0.799 4871 E CB -0.416 29.175 29.700 -0.182 0.000 0.748 4871 E HN 0.455 nan 8.360 nan 0.000 0.449 4872 F N 0.658 120.611 119.950 0.005 0.000 2.206 4872 F HA -0.051 4.476 4.527 0.000 0.000 0.298 4872 F C 2.400 178.205 175.800 0.008 0.000 1.090 4872 F CA 0.553 58.556 58.000 0.006 0.000 1.323 4872 F CB -0.166 38.837 39.000 0.005 0.000 1.028 4872 F HN -0.053 nan 8.300 nan 0.000 0.492 4873 I N -0.125 120.559 120.570 0.189 0.000 2.286 4873 I HA -0.263 3.907 4.170 0.000 0.000 0.248 4873 I C 2.015 178.176 176.117 0.074 0.000 1.115 4873 I CA 1.514 62.880 61.300 0.110 0.000 1.392 4873 I CB -0.398 37.649 38.000 0.078 0.000 1.065 4873 I HN 0.175 nan 8.210 nan 0.000 0.418 4874 E N -0.011 120.220 120.200 0.052 0.000 2.216 4874 E HA -0.232 4.118 4.350 0.000 0.000 0.192 4874 E C 2.030 178.640 176.600 0.017 0.000 0.988 4874 E CA 0.520 56.937 56.400 0.029 0.000 0.834 4874 E CB 0.035 29.741 29.700 0.009 0.000 0.772 4874 E HN 0.330 nan 8.360 nan 0.000 0.479 4875 Q N 1.021 120.824 119.800 0.005 0.000 2.172 4875 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 4875 Q C 1.768 177.788 176.000 0.034 0.000 0.964 4875 Q CA 1.136 56.931 55.803 -0.014 0.000 0.855 4875 Q CB 0.214 28.901 28.738 -0.084 0.000 0.918 4875 Q HN 0.147 nan 8.270 nan 0.000 0.444 4876 E N 0.287 120.529 120.200 0.071 0.000 2.051 4876 E HA -0.198 4.152 4.350 0.000 0.000 0.192 4876 E C 1.718 178.355 176.600 0.063 0.000 0.991 4876 E CA 1.123 57.567 56.400 0.073 0.000 0.799 4876 E CB -0.155 29.594 29.700 0.082 0.000 0.748 4876 E HN 0.481 nan 8.360 nan 0.000 0.449 4877 E N 1.388 121.627 120.200 0.066 0.000 2.150 4877 E HA -0.197 4.153 4.350 0.000 0.000 0.193 4877 E C 1.927 178.565 176.600 0.064 0.000 0.985 4877 E CA 1.034 57.487 56.400 0.089 0.000 0.814 4877 E CB 0.131 29.889 29.700 0.097 0.000 0.752 4877 E HN -0.055 nan 8.360 nan 0.000 0.466 4878 K N 0.843 121.257 120.400 0.024 0.000 2.057 4878 K HA -0.072 4.249 4.320 0.000 0.000 0.206 4878 K C 2.294 178.881 176.600 -0.022 0.000 1.050 4878 K CA 1.468 57.745 56.287 -0.016 0.000 0.935 4878 K CB -0.535 31.950 32.500 -0.025 0.000 0.715 4878 K HN 0.148 nan 8.250 nan 0.000 0.439 4879 M N -0.199 119.402 119.600 0.002 0.000 2.065 4879 M HA -0.180 4.300 4.480 0.000 0.000 0.259 4879 M C 1.858 178.163 176.300 0.009 0.000 1.069 4879 M CA 1.743 57.046 55.300 0.006 0.000 1.110 4879 M CB -0.268 32.347 32.600 0.024 0.000 1.328 4879 M HN 0.264 nan 8.290 nan 0.000 0.405 4880 L N 0.766 122.009 121.223 0.033 0.000 2.083 4880 L HA -0.196 4.144 4.340 0.000 0.000 0.209 4880 L C 2.366 179.261 176.870 0.043 0.000 1.083 4880 L CA 1.954 56.828 54.840 0.057 0.000 0.752 4880 L CB -0.779 41.339 42.059 0.098 0.000 0.899 4880 L HN 0.350 nan 8.230 nan 0.000 0.433 4881 K N -0.845 119.542 120.400 -0.021 0.000 2.097 4881 K HA -0.197 4.123 4.320 0.000 0.000 0.206 4881 K C 1.600 178.099 176.600 -0.169 0.000 1.049 4881 K CA 1.768 57.913 56.287 -0.237 0.000 0.933 4881 K CB -0.090 32.155 32.500 -0.425 0.000 0.717 4881 K HN 0.344 nan 8.250 nan 0.000 0.442 4882 D N 0.401 120.744 120.400 -0.095 0.000 2.183 4882 D HA -0.112 4.528 4.640 0.000 0.000 0.203 4882 D C 1.880 178.156 176.300 -0.040 0.000 0.969 4882 D CA 1.067 55.026 54.000 -0.068 0.000 0.842 4882 D CB -0.017 40.755 40.800 -0.046 0.000 0.957 4882 D HN 0.305 nan 8.370 nan 0.000 0.484 4883 M N -0.040 119.548 119.600 -0.021 0.000 2.117 4883 M HA -0.131 4.349 4.480 0.000 0.000 0.262 4883 M C 2.223 178.523 176.300 0.000 0.000 1.065 4883 M CA 0.903 56.203 55.300 -0.001 0.000 1.114 4883 M CB -0.068 32.541 32.600 0.016 0.000 1.361 4883 M HN -0.108 nan 8.290 nan 0.000 0.408 4884 V N 0.243 120.157 119.914 -0.000 0.000 2.358 4884 V HA -0.212 3.908 4.120 0.000 0.000 0.246 4884 V C 2.607 178.691 176.094 -0.016 0.000 1.047 4884 V CA 1.884 64.189 62.300 0.008 0.000 1.035 4884 V CB -1.145 30.703 31.823 0.043 0.000 0.658 4884 V HN 0.513 nan 8.190 nan 0.000 0.452 4885 A N -0.357 122.436 122.820 -0.045 0.000 1.933 4885 A HA -0.245 4.075 4.320 0.000 0.000 0.218 4885 A C 2.166 179.735 177.584 -0.026 0.000 1.175 4885 A CA 1.898 53.907 52.037 -0.046 0.000 0.628 4885 A CB -0.405 18.555 19.000 -0.066 0.000 0.814 4885 A HN 0.638 nan 8.150 nan 0.000 0.444 4886 E N -0.425 119.764 120.200 -0.020 0.000 2.107 4886 E HA -0.086 4.264 4.350 0.000 0.000 0.191 4886 E C 1.838 178.435 176.600 -0.004 0.000 0.982 4886 E CA 0.969 57.363 56.400 -0.010 0.000 0.809 4886 E CB -0.241 29.455 29.700 -0.007 0.000 0.756 4886 E HN 0.700 nan 8.360 nan 0.000 0.459 4887 I N 1.209 121.778 120.570 -0.002 0.000 2.226 4887 I HA -0.274 3.896 4.170 0.000 0.000 0.245 4887 I C 2.444 178.560 176.117 -0.001 0.000 1.100 4887 I CA 0.997 62.299 61.300 0.002 0.000 1.374 4887 I CB -0.117 37.886 38.000 0.005 0.000 1.057 4887 I HN -0.018 nan 8.210 nan 0.000 0.413 4888 K N 1.672 122.069 120.400 -0.005 0.000 2.097 4888 K HA -0.073 4.248 4.320 0.000 0.000 0.205 4888 K C 2.025 178.621 176.600 -0.006 0.000 1.050 4888 K CA 1.617 57.900 56.287 -0.007 0.000 0.938 4888 K CB -0.407 32.087 32.500 -0.011 0.000 0.718 4888 K HN 0.254 nan 8.250 nan 0.000 0.442 4889 A N 0.355 123.171 122.820 -0.007 0.000 1.978 4889 A HA -0.166 4.154 4.320 0.000 0.000 0.220 4889 A C 2.129 179.712 177.584 -0.002 0.000 1.170 4889 A CA 2.162 54.195 52.037 -0.006 0.000 0.636 4889 A CB -1.035 17.961 19.000 -0.008 0.000 0.810 4889 A HN 0.555 nan 8.150 nan 0.000 0.448 4890 S N -1.689 114.011 115.700 0.001 0.000 2.442 4890 S HA 0.232 4.702 4.470 0.000 0.000 0.236 4890 S C 1.642 176.246 174.600 0.007 0.000 1.007 4890 S CA 1.480 59.684 58.200 0.005 0.000 0.965 4890 S CB -0.539 62.666 63.200 0.009 0.000 0.773 4890 S HN 1.987 nan 8.310 nan 0.000 0.504 4891 G N 0.570 109.372 108.800 0.004 0.000 2.176 4891 G HA2 -0.060 3.900 3.960 0.000 0.000 0.232 4891 G HA3 -0.060 3.900 3.960 0.000 0.000 0.232 4891 G C 0.256 175.160 174.900 0.007 0.000 0.986 4891 G CA -0.001 45.102 45.100 0.005 0.000 0.643 4891 G HN 1.365 nan 8.290 nan 0.000 0.522 4892 A N 0.407 123.232 122.820 0.008 0.000 2.498 4892 A HA 0.570 4.890 4.320 0.000 0.000 0.239 4892 A C 1.000 178.583 177.584 -0.001 0.000 1.068 4892 A CA 1.288 53.331 52.037 0.010 0.000 0.766 4892 A CB 0.130 19.137 19.000 0.012 0.000 1.003 4892 A HN 1.356 nan 8.150 nan 0.000 0.497 4893 N N -0.355 118.343 118.700 -0.004 0.000 2.067 4893 N HA 0.176 4.916 4.740 0.000 0.000 0.227 4893 N C -0.902 174.587 175.510 -0.036 0.000 1.348 4893 N CA 0.125 53.165 53.050 -0.016 0.000 0.879 4893 N CB 0.523 39.005 38.487 -0.008 0.000 1.109 4893 N HN 0.269 nan 8.380 nan 0.000 0.501 4894 V N 1.516 121.409 119.914 -0.035 0.000 2.531 4894 V HA 0.600 4.720 4.120 0.000 0.000 0.301 4894 V C -1.355 174.667 176.094 -0.121 0.000 1.034 4894 V CA -0.815 61.428 62.300 -0.094 0.000 0.865 4894 V CB 1.811 33.620 31.823 -0.024 0.000 0.995 4894 V HN 0.219 nan 8.190 nan 0.000 0.424 4895 L N 5.539 126.591 121.223 -0.285 0.000 2.410 4895 L HA 0.736 5.076 4.340 0.000 0.000 0.270 4895 L C -1.573 175.035 176.870 -0.437 0.000 0.983 4895 L CA -0.068 54.647 54.840 -0.209 0.000 0.822 4895 L CB 1.742 43.736 42.059 -0.108 0.000 1.285 4895 L HN 0.476 nan 8.230 nan 0.000 0.409 4896 F N 4.631 124.585 119.950 0.006 0.000 2.427 4896 F HA 0.486 5.013 4.527 0.000 0.000 0.348 4896 F C -0.041 175.761 175.800 0.004 0.000 1.125 4896 F CA -0.438 57.564 58.000 0.003 0.000 0.989 4896 F CB 1.603 40.602 39.000 -0.001 0.000 1.165 4896 F HN 0.507 nan 8.300 nan 0.000 0.442 4897 C N 4.891 124.272 119.300 0.136 0.000 2.303 4897 C HA 0.244 4.704 4.460 0.000 0.000 0.326 4897 C C 1.641 176.683 174.990 0.087 0.000 1.285 4897 C CA -0.403 58.667 59.018 0.088 0.000 1.675 4897 C CB 0.757 28.525 27.740 0.046 0.000 2.289 4897 C HN 0.965 nan 8.230 nan 0.000 0.512 4898 Q N 3.396 123.238 119.800 0.070 0.000 2.124 4898 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 4898 Q C 0.790 176.814 176.000 0.039 0.000 0.977 4898 Q CA 1.631 57.464 55.803 0.051 0.000 0.850 4898 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 4898 Q HN 0.758 nan 8.270 nan 0.000 0.429 4899 K N -1.145 119.276 120.400 0.035 0.000 2.632 4899 K HA 0.433 4.753 4.320 0.000 0.000 0.267 4899 K C 0.329 176.946 176.600 0.028 0.000 1.028 4899 K CA -0.203 56.101 56.287 0.028 0.000 1.045 4899 K CB 0.147 32.661 32.500 0.024 0.000 1.400 4899 K HN 0.114 nan 8.250 nan 0.000 0.522 4900 G N 0.262 109.076 108.800 0.023 0.000 2.599 4900 G HA2 0.429 4.389 3.960 0.000 0.000 0.264 4900 G HA3 0.429 4.389 3.960 0.000 0.000 0.264 4900 G C -0.523 174.390 174.900 0.022 0.000 1.200 4900 G CA -0.514 44.599 45.100 0.021 0.000 0.896 4900 G HN 0.371 nan 8.290 nan 0.000 0.536 4901 I N 0.350 120.932 120.570 0.019 0.000 2.499 4901 I HA 0.169 4.339 4.170 0.000 0.000 0.288 4901 I C -0.586 175.544 176.117 0.021 0.000 1.048 4901 I CA -0.790 60.522 61.300 0.021 0.000 1.062 4901 I CB 2.151 40.161 38.000 0.016 0.000 1.238 4901 I HN 0.419 nan 8.210 nan 0.000 0.426 4902 D N 5.240 125.657 120.400 0.028 0.000 2.414 4902 D HA -0.037 4.603 4.640 0.000 0.000 0.242 4902 D C 0.631 176.946 176.300 0.024 0.000 1.129 4902 D CA 0.140 54.156 54.000 0.026 0.000 0.885 4902 D CB 1.321 42.142 40.800 0.035 0.000 1.198 4902 D HN 0.496 nan 8.370 nan 0.000 0.437 4903 D N 3.133 123.540 120.400 0.012 0.000 2.190 4903 D HA -0.169 4.471 4.640 0.000 0.000 0.200 4903 D C 1.912 178.209 176.300 -0.005 0.000 0.992 4903 D CA 0.766 54.767 54.000 0.001 0.000 0.854 4903 D CB 0.260 41.053 40.800 -0.012 0.000 0.936 4903 D HN 0.342 nan 8.370 nan 0.000 0.462 4904 L N 1.004 122.225 121.223 -0.003 0.000 2.056 4904 L HA -0.075 4.265 4.340 0.000 0.000 0.207 4904 L C 2.524 179.422 176.870 0.046 0.000 1.078 4904 L CA 1.223 56.050 54.840 -0.023 0.000 0.749 4904 L CB -1.068 41.008 42.059 0.028 0.000 0.901 4904 L HN -0.051 nan 8.230 nan 0.000 0.433 4905 A N -1.333 121.551 122.820 0.108 0.000 1.930 4905 A HA -0.225 4.095 4.320 0.000 0.000 0.217 4905 A C 2.213 179.861 177.584 0.107 0.000 1.175 4905 A CA 1.324 53.453 52.037 0.155 0.000 0.627 4905 A CB -0.432 18.631 19.000 0.105 0.000 0.815 4905 A HN 0.525 nan 8.150 nan 0.000 0.443 4906 Q N -1.279 118.555 119.800 0.056 0.000 2.084 4906 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 4906 Q C 2.156 178.169 176.000 0.022 0.000 0.978 4906 Q CA 1.532 57.352 55.803 0.029 0.000 0.844 4906 Q CB -0.392 28.356 28.738 0.017 0.000 0.898 4906 Q HN 0.910 nan 8.270 nan 0.000 0.426 4907 H N -0.251 118.765 119.070 -0.090 0.000 2.293 4907 H HA -0.164 4.393 4.556 0.000 0.000 0.300 4907 H C 1.549 176.817 175.328 -0.100 0.000 1.082 4907 H CA 1.590 57.547 56.048 -0.151 0.000 1.308 4907 H CB -0.057 29.529 29.762 -0.294 0.000 1.375 4907 H HN 0.266 nan 8.280 nan 0.000 0.495 4908 Y N 0.909 121.227 120.300 0.030 0.000 2.274 4908 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 4908 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 4908 Y CA 0.637 58.719 58.100 -0.029 0.000 1.203 4908 Y CB -0.522 37.975 38.460 0.063 0.000 0.984 4908 Y HN 0.155 nan 8.280 nan 0.000 0.533 4909 L N -1.115 120.161 121.223 0.089 0.000 2.046 4909 L HA -0.235 4.105 4.340 0.000 0.000 0.208 4909 L C 2.641 179.491 176.870 -0.034 0.000 1.077 4909 L CA 1.219 56.071 54.840 0.020 0.000 0.747 4909 L CB -0.813 41.252 42.059 0.009 0.000 0.896 4909 L HN 0.191 nan 8.230 nan 0.000 0.432 4910 A N -0.444 122.328 122.820 -0.080 0.000 1.933 4910 A HA -0.168 4.152 4.320 0.000 0.000 0.218 4910 A C 2.249 179.759 177.584 -0.124 0.000 1.175 4910 A CA 1.379 53.352 52.037 -0.108 0.000 0.628 4910 A CB -0.234 18.686 19.000 -0.135 0.000 0.814 4910 A HN 0.195 nan 8.150 nan 0.000 0.444 4911 K N -0.045 120.251 120.400 -0.173 0.000 2.296 4911 K HA -0.003 4.317 4.320 0.000 0.000 0.200 4911 K C 1.152 177.726 176.600 -0.043 0.000 1.048 4911 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 4911 K CB -0.056 32.354 32.500 -0.150 0.000 0.754 4911 K HN 0.475 nan 8.250 nan 0.000 0.466 4912 E N -0.107 120.078 120.200 -0.024 0.000 2.489 4912 E HA 0.023 4.373 4.350 0.000 0.000 0.193 4912 E C 0.742 177.331 176.600 -0.020 0.000 1.057 4912 E CA 0.353 56.746 56.400 -0.012 0.000 0.866 4912 E CB 0.209 29.908 29.700 -0.002 0.000 0.916 4912 E HN 0.433 nan 8.360 nan 0.000 0.500 4913 G N 1.875 110.656 108.800 -0.030 0.000 2.147 4913 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 4913 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 4913 G C 0.242 175.124 174.900 -0.031 0.000 1.005 4913 G CA 0.146 45.229 45.100 -0.029 0.000 0.713 4913 G HN 0.257 nan 8.290 nan 0.000 0.515 4914 I N 1.150 121.699 120.570 -0.034 0.000 2.315 4914 I HA 0.442 4.612 4.170 0.000 0.000 0.291 4914 I C 1.018 177.099 176.117 -0.059 0.000 1.006 4914 I CA -1.144 60.132 61.300 -0.041 0.000 1.265 4914 I CB 1.563 39.544 38.000 -0.033 0.000 1.387 4914 I HN 0.151 nan 8.210 nan 0.000 0.475 4915 V N 3.826 123.695 119.914 -0.076 0.000 2.644 4915 V HA 0.937 5.058 4.120 0.000 0.000 0.295 4915 V C 0.050 176.043 176.094 -0.167 0.000 1.053 4915 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 4915 V CB 1.265 33.030 31.823 -0.097 0.000 1.006 4915 V HN 0.855 nan 8.190 nan 0.000 0.472 4916 A N 3.234 125.950 122.820 -0.173 0.000 2.594 4916 A HA 1.004 5.324 4.320 0.000 0.000 0.295 4916 A C -0.468 177.000 177.584 -0.193 0.000 1.071 4916 A CA -0.330 51.577 52.037 -0.217 0.000 0.685 4916 A CB 1.741 20.668 19.000 -0.122 0.000 1.285 4916 A HN 2.449 nan 8.150 nan 0.000 0.405 4917 A N 1.436 124.121 122.820 -0.224 0.000 2.398 4917 A HA 0.764 5.084 4.320 0.000 0.000 0.301 4917 A C -0.153 177.428 177.584 -0.005 0.000 1.041 4917 A CA -0.550 51.434 52.037 -0.088 0.000 0.711 4917 A CB 0.944 19.916 19.000 -0.046 0.000 1.240 4917 A HN 1.353 nan 8.150 nan 0.000 0.420 4918 R N 1.691 122.201 120.500 0.016 0.000 2.608 4918 R HA 0.731 5.071 4.340 0.000 0.000 0.255 4918 R C -0.346 175.982 176.300 0.048 0.000 1.086 4918 R CA -0.741 55.378 56.100 0.033 0.000 1.125 4918 R CB 0.399 30.711 30.300 0.019 0.000 1.193 4918 R HN 0.504 nan 8.270 nan 0.000 0.553 4919 R N -0.943 119.583 120.500 0.043 0.000 3.516 4919 R HA -0.110 4.230 4.340 0.000 0.000 0.271 4919 R C -0.712 175.615 176.300 0.045 0.000 1.098 4919 R CA 0.571 56.693 56.100 0.037 0.000 0.732 4919 R CB -2.661 27.655 30.300 0.026 0.000 1.152 4919 R HN 0.527 nan 8.270 nan 0.000 0.455 4920 V N 1.508 121.462 119.914 0.067 0.000 2.572 4920 V HA 0.035 4.155 4.120 0.000 0.000 0.291 4920 V C 1.492 177.605 176.094 0.031 0.000 1.039 4920 V CA -0.128 62.216 62.300 0.073 0.000 1.055 4920 V CB 1.165 33.068 31.823 0.134 0.000 0.969 4920 V HN 0.148 nan 8.190 nan 0.000 0.482 4921 K N 4.135 124.541 120.400 0.010 0.000 2.489 4921 K HA -0.025 4.295 4.320 0.000 0.000 0.278 4921 K C 1.376 177.967 176.600 -0.015 0.000 1.000 4921 K CA 0.089 56.372 56.287 -0.006 0.000 1.012 4921 K CB 0.321 32.811 32.500 -0.017 0.000 0.903 4921 K HN 0.710 nan 8.250 nan 0.000 0.485 4922 K N 2.296 122.690 120.400 -0.010 0.000 2.113 4922 K HA -0.218 4.102 4.320 0.000 0.000 0.208 4922 K C 1.863 178.446 176.600 -0.028 0.000 1.047 4922 K CA 2.022 58.301 56.287 -0.014 0.000 0.928 4922 K CB -0.138 32.357 32.500 -0.008 0.000 0.716 4922 K HN 0.619 nan 8.250 nan 0.000 0.446 4923 S N 0.655 116.336 115.700 -0.031 0.000 2.368 4923 S HA -0.156 4.314 4.470 0.000 0.000 0.225 4923 S C 1.348 175.911 174.600 -0.062 0.000 1.030 4923 S CA 1.736 59.911 58.200 -0.040 0.000 0.999 4923 S CB -0.340 62.838 63.200 -0.036 0.000 0.844 4923 S HN 0.372 nan 8.310 nan 0.000 0.459 4924 D N 0.859 121.215 120.400 -0.074 0.000 2.144 4924 D HA -0.034 4.606 4.640 0.000 0.000 0.200 4924 D C 1.975 178.182 176.300 -0.155 0.000 0.978 4924 D CA 0.878 54.805 54.000 -0.120 0.000 0.833 4924 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 4924 D HN 0.375 nan 8.370 nan 0.000 0.470 4925 M N 0.475 120.012 119.600 -0.106 0.000 2.159 4925 M HA -0.089 4.391 4.480 0.000 0.000 0.263 4925 M C 1.881 178.131 176.300 -0.084 0.000 1.063 4925 M CA 1.196 56.440 55.300 -0.093 0.000 1.110 4925 M CB -0.735 31.845 32.600 -0.034 0.000 1.374 4925 M HN 0.111 nan 8.290 nan 0.000 0.411 4926 E N -0.005 120.155 120.200 -0.067 0.000 2.107 4926 E HA -0.134 4.216 4.350 0.000 0.000 0.191 4926 E C 2.011 178.571 176.600 -0.068 0.000 0.982 4926 E CA 0.821 57.188 56.400 -0.054 0.000 0.809 4926 E CB 0.022 29.698 29.700 -0.040 0.000 0.756 4926 E HN 0.499 nan 8.360 nan 0.000 0.459 4927 K N 0.535 120.882 120.400 -0.088 0.000 2.148 4927 K HA -0.059 4.261 4.320 0.000 0.000 0.204 4927 K C 2.108 178.638 176.600 -0.117 0.000 1.050 4927 K CA 0.639 56.868 56.287 -0.095 0.000 0.942 4927 K CB 0.030 32.468 32.500 -0.104 0.000 0.724 4927 K HN 0.088 nan 8.250 nan 0.000 0.446 4928 L N 0.370 121.496 121.223 -0.161 0.000 2.093 4928 L HA -0.149 4.191 4.340 0.000 0.000 0.208 4928 L C 2.546 179.355 176.870 -0.101 0.000 1.085 4928 L CA 0.999 55.726 54.840 -0.188 0.000 0.755 4928 L CB -0.492 41.370 42.059 -0.329 0.000 0.904 4928 L HN 0.183 nan 8.230 nan 0.000 0.435 4929 A N 0.223 122.999 122.820 -0.073 0.000 1.877 4929 A HA -0.212 4.108 4.320 0.000 0.000 0.216 4929 A C 2.323 179.891 177.584 -0.026 0.000 1.186 4929 A CA 1.687 53.703 52.037 -0.035 0.000 0.620 4929 A CB -0.300 18.684 19.000 -0.026 0.000 0.822 4929 A HN 0.316 nan 8.150 nan 0.000 0.443 4930 K N -0.438 119.941 120.400 -0.035 0.000 2.103 4930 K HA 0.069 4.389 4.320 0.000 0.000 0.204 4930 K C 2.339 178.922 176.600 -0.028 0.000 1.052 4930 K CA 0.936 57.207 56.287 -0.026 0.000 0.945 4930 K CB -0.255 32.225 32.500 -0.032 0.000 0.722 4930 K HN 0.426 nan 8.250 nan 0.000 0.443 4931 A N 1.345 124.138 122.820 -0.044 0.000 1.840 4931 A HA -0.146 4.175 4.320 0.000 0.000 0.214 4931 A C 2.329 179.900 177.584 -0.021 0.000 1.198 4931 A CA 2.210 54.220 52.037 -0.045 0.000 0.608 4931 A CB -1.097 17.867 19.000 -0.060 0.000 0.839 4931 A HN 0.436 nan 8.150 nan 0.000 0.443 4932 T N -4.153 110.392 114.554 -0.016 0.000 3.043 4932 T HA 0.356 4.706 4.350 0.000 0.000 0.263 4932 T C 1.425 176.137 174.700 0.021 0.000 1.094 4932 T CA 1.246 63.351 62.100 0.009 0.000 1.127 4932 T CB -0.157 68.722 68.868 0.017 0.000 0.905 4932 T HN 1.853 nan 8.240 nan 0.000 0.490 4933 G N 1.348 110.157 108.800 0.014 0.000 2.137 4933 G HA2 -0.000 3.960 3.960 0.000 0.000 0.237 4933 G HA3 -0.000 3.960 3.960 0.000 0.000 0.237 4933 G C 0.220 175.131 174.900 0.020 0.000 1.002 4933 G CA -0.039 45.074 45.100 0.022 0.000 0.702 4933 G HN 1.175 nan 8.290 nan 0.000 0.515 4934 A N -0.386 122.444 122.820 0.016 0.000 2.407 4934 A HA 0.623 4.943 4.320 0.000 0.000 0.248 4934 A C 0.418 178.012 177.584 0.016 0.000 1.082 4934 A CA 0.374 52.425 52.037 0.023 0.000 0.785 4934 A CB 0.475 19.494 19.000 0.032 0.000 1.020 4934 A HN 0.773 nan 8.150 nan 0.000 0.489 4935 N N 1.214 119.927 118.700 0.021 0.000 2.421 4935 N HA 0.371 5.111 4.740 0.000 0.000 0.285 4935 N C -0.879 174.643 175.510 0.019 0.000 1.027 4935 N CA -0.364 52.696 53.050 0.017 0.000 0.918 4935 N CB 1.307 39.804 38.487 0.016 0.000 1.152 4935 N HN 0.281 nan 8.380 nan 0.000 0.485 4936 V N 4.902 124.824 119.914 0.014 0.000 2.446 4936 V HA 0.180 4.300 4.120 0.000 0.000 0.276 4936 V C 0.257 176.362 176.094 0.018 0.000 1.030 4936 V CA -0.086 62.223 62.300 0.016 0.000 1.033 4936 V CB -0.270 31.558 31.823 0.008 0.000 0.993 4936 V HN 0.514 nan 8.190 nan 0.000 0.477 4937 I N 4.009 124.593 120.570 0.024 0.000 2.474 4937 I HA 0.455 4.625 4.170 0.000 0.000 0.294 4937 I C 0.976 177.106 176.117 0.022 0.000 1.005 4937 I CA -0.374 60.939 61.300 0.022 0.000 1.113 4937 I CB 1.479 39.493 38.000 0.023 0.000 1.289 4937 I HN 0.602 nan 8.210 nan 0.000 0.436 4938 A N 5.484 128.315 122.820 0.018 0.000 1.840 4938 A HA 0.361 4.681 4.320 0.000 0.000 0.214 4938 A C 1.109 178.704 177.584 0.018 0.000 1.198 4938 A CA 1.111 53.158 52.037 0.017 0.000 0.608 4938 A CB -0.156 18.853 19.000 0.014 0.000 0.839 4938 A HN 0.732 nan 8.150 nan 0.000 0.443 4939 A N -1.102 121.728 122.820 0.017 0.000 2.312 4939 A HA 0.651 4.971 4.320 0.000 0.000 0.328 4939 A C 0.824 178.417 177.584 0.016 0.000 1.158 4939 A CA -0.570 51.476 52.037 0.016 0.000 0.821 4939 A CB 0.400 19.408 19.000 0.013 0.000 1.170 4939 A HN 0.347 nan 8.150 nan 0.000 0.490 4940 I N 1.480 122.060 120.570 0.016 0.000 2.226 4940 I HA -0.287 3.883 4.170 0.000 0.000 0.245 4940 I C 2.779 178.903 176.117 0.012 0.000 1.100 4940 I CA 1.750 63.059 61.300 0.015 0.000 1.374 4940 I CB -0.270 37.739 38.000 0.015 0.000 1.057 4940 I HN 0.760 nan 8.210 nan 0.000 0.413 4941 A N 0.726 123.552 122.820 0.010 0.000 1.978 4941 A HA -0.181 4.139 4.320 0.000 0.000 0.220 4941 A C 2.447 180.035 177.584 0.008 0.000 1.170 4941 A CA 1.863 53.905 52.037 0.007 0.000 0.636 4941 A CB -0.714 18.290 19.000 0.006 0.000 0.810 4941 A HN 0.457 nan 8.150 nan 0.000 0.448 4942 A N -0.743 122.083 122.820 0.010 0.000 2.168 4942 A HA 0.308 4.628 4.320 0.000 0.000 0.215 4942 A C 0.991 178.582 177.584 0.011 0.000 1.152 4942 A CA -0.024 52.019 52.037 0.010 0.000 0.716 4942 A CB -0.466 18.541 19.000 0.011 0.000 0.794 4942 A HN 0.460 nan 8.150 nan 0.000 0.465 4943 L N 1.454 122.684 121.223 0.013 0.000 2.490 4943 L HA 0.214 4.554 4.340 0.000 0.000 0.274 4943 L C 0.667 177.544 176.870 0.011 0.000 1.201 4943 L CA 0.252 55.100 54.840 0.014 0.000 0.869 4943 L CB 0.572 42.640 42.059 0.015 0.000 1.123 4943 L HN 0.491 nan 8.230 nan 0.000 0.484 4944 S N 1.206 116.913 115.700 0.013 0.000 2.625 4944 S HA 0.569 5.039 4.470 0.000 0.000 0.271 4944 S C 0.356 174.964 174.600 0.013 0.000 1.161 4944 S CA -0.291 57.915 58.200 0.011 0.000 0.820 4944 S CB 1.520 64.725 63.200 0.009 0.000 1.137 4944 S HN 0.602 nan 8.310 nan 0.000 0.470 4945 A N 0.571 123.398 122.820 0.011 0.000 1.978 4945 A HA -0.134 4.187 4.320 0.000 0.000 0.220 4945 A C 2.058 179.650 177.584 0.014 0.000 1.170 4945 A CA 2.024 54.069 52.037 0.013 0.000 0.636 4945 A CB -1.110 17.896 19.000 0.010 0.000 0.810 4945 A HN 0.901 nan 8.150 nan 0.000 0.448 4946 Q N -0.794 119.014 119.800 0.012 0.000 2.369 4946 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 4946 Q C 0.534 176.543 176.000 0.015 0.000 0.963 4946 Q CA 1.293 57.103 55.803 0.013 0.000 0.894 4946 Q CB 0.007 28.751 28.738 0.010 0.000 0.965 4946 Q HN 0.610 nan 8.270 nan 0.000 0.475 4947 D N -0.145 120.265 120.400 0.017 0.000 2.354 4947 D HA 0.079 4.719 4.640 0.000 0.000 0.209 4947 D C 0.122 176.437 176.300 0.025 0.000 1.015 4947 D CA 0.212 54.224 54.000 0.019 0.000 0.867 4947 D CB 0.391 41.203 40.800 0.019 0.000 0.933 4947 D HN 0.272 nan 8.370 nan 0.000 0.520 4948 L N 0.705 121.944 121.223 0.027 0.000 2.395 4948 L HA 0.397 4.737 4.340 0.000 0.000 0.269 4948 L C 1.194 178.084 176.870 0.034 0.000 1.133 4948 L CA -0.503 54.357 54.840 0.034 0.000 0.812 4948 L CB 1.207 43.285 42.059 0.032 0.000 1.125 4948 L HN -0.138 nan 8.230 nan 0.000 0.452 4949 G N 0.531 109.357 108.800 0.043 0.000 2.491 4949 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 4949 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 4949 G C -1.340 173.587 174.900 0.046 0.000 1.189 4949 G CA -0.424 44.701 45.100 0.041 0.000 0.956 4949 G HN 0.519 nan 8.290 nan 0.000 0.491 4950 D N -0.327 120.099 120.400 0.042 0.000 2.362 4950 D HA 0.657 5.297 4.640 0.000 0.000 0.247 4950 D C -0.269 176.059 176.300 0.046 0.000 1.050 4950 D CA 0.058 54.084 54.000 0.043 0.000 0.839 4950 D CB 1.978 42.800 40.800 0.037 0.000 1.283 4950 D HN 0.590 nan 8.370 nan 0.000 0.477 4951 A N 0.425 123.276 122.820 0.051 0.000 2.486 4951 A HA 0.649 4.969 4.320 0.000 0.000 0.300 4951 A C 1.001 178.614 177.584 0.049 0.000 1.048 4951 A CA -0.407 51.661 52.037 0.053 0.000 0.696 4951 A CB 1.669 20.712 19.000 0.071 0.000 1.278 4951 A HN 0.487 nan 8.150 nan 0.000 0.405 4952 G N 0.179 109.005 108.800 0.044 0.000 2.402 4952 G HA2 0.312 4.272 3.960 0.000 0.000 0.216 4952 G HA3 0.312 4.272 3.960 0.000 0.000 0.216 4952 G C 0.279 175.203 174.900 0.040 0.000 1.162 4952 G CA 1.658 46.781 45.100 0.038 0.000 0.777 4952 G HN 1.177 nan 8.290 nan 0.000 0.539 4953 L N -0.153 121.101 121.223 0.051 0.000 2.493 4953 L HA 0.639 4.979 4.340 0.000 0.000 0.265 4953 L C -1.413 175.507 176.870 0.083 0.000 0.954 4953 L CA -0.800 54.073 54.840 0.055 0.000 0.844 4953 L CB 2.545 44.630 42.059 0.043 0.000 1.302 4953 L HN -0.133 nan 8.230 nan 0.000 0.405 4954 V N 4.219 124.183 119.914 0.084 0.000 2.407 4954 V HA 0.638 4.758 4.120 0.000 0.000 0.291 4954 V C -0.535 175.617 176.094 0.096 0.000 1.018 4954 V CA -0.440 61.929 62.300 0.114 0.000 0.842 4954 V CB 1.456 33.348 31.823 0.114 0.000 0.996 4954 V HN 0.827 nan 8.190 nan 0.000 0.426 4955 E N 3.187 123.467 120.200 0.133 0.000 2.292 4955 E HA 0.412 4.762 4.350 0.000 0.000 0.272 4955 E C -1.038 175.658 176.600 0.160 0.000 0.881 4955 E CA -0.656 55.805 56.400 0.102 0.000 0.754 4955 E CB 2.193 31.921 29.700 0.047 0.000 1.201 4955 E HN 0.751 nan 8.360 nan 0.000 0.425 4956 E N 4.315 124.579 120.200 0.108 0.000 2.130 4956 E HA 0.261 4.611 4.350 0.000 0.000 0.284 4956 E C -0.897 175.761 176.600 0.097 0.000 1.018 4956 E CA -0.286 56.189 56.400 0.125 0.000 0.817 4956 E CB 0.698 30.441 29.700 0.072 0.000 1.078 4956 E HN 0.354 nan 8.360 nan 0.000 0.396 4957 R N 3.427 124.022 120.500 0.158 0.000 2.807 4957 R HA 0.381 4.721 4.340 0.000 0.000 0.276 4957 R C -0.739 175.632 176.300 0.118 0.000 0.979 4957 R CA -0.964 55.178 56.100 0.070 0.000 0.928 4957 R CB 1.879 32.116 30.300 -0.106 0.000 1.191 4957 R HN 0.321 nan 8.270 nan 0.000 0.471 4958 K N 2.487 122.921 120.400 0.057 0.000 2.262 4958 K HA 0.335 4.655 4.320 0.000 0.000 0.282 4958 K C -0.483 176.156 176.600 0.066 0.000 1.066 4958 K CA -0.329 55.995 56.287 0.061 0.000 0.901 4958 K CB 0.793 33.312 32.500 0.031 0.000 1.089 4958 K HN 0.254 nan 8.250 nan 0.000 0.476 4959 I N 2.524 123.154 120.570 0.100 0.000 2.359 4959 I HA 0.051 4.221 4.170 0.000 0.000 0.284 4959 I C 0.700 176.853 176.117 0.061 0.000 1.018 4959 I CA -0.178 61.182 61.300 0.101 0.000 1.173 4959 I CB 0.657 38.762 38.000 0.175 0.000 1.326 4959 I HN 0.727 nan 8.210 nan 0.000 0.462 4960 S N 4.550 120.274 115.700 0.041 0.000 3.635 4960 S HA -0.212 4.258 4.470 0.000 0.000 0.328 4960 S C 1.389 176.002 174.600 0.022 0.000 1.135 4960 S CA 1.544 59.759 58.200 0.025 0.000 0.942 4960 S CB -1.046 62.167 63.200 0.022 0.000 0.930 4960 S HN 1.472 nan 8.310 nan 0.000 0.512 4961 G N -0.049 108.766 108.800 0.025 0.000 2.363 4961 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 4961 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 4961 G C -0.296 174.621 174.900 0.028 0.000 1.062 4961 G CA 0.305 45.418 45.100 0.022 0.000 0.629 4961 G HN 0.685 nan 8.290 nan 0.000 0.514 4962 D N 1.893 122.312 120.400 0.032 0.000 2.425 4962 D HA 0.460 5.100 4.640 0.000 0.000 0.247 4962 D C 1.020 177.352 176.300 0.053 0.000 1.147 4962 D CA 0.823 54.844 54.000 0.034 0.000 0.879 4962 D CB 1.276 42.092 40.800 0.027 0.000 1.179 4962 D HN 0.652 nan 8.370 nan 0.000 0.456 4963 S N 2.390 118.119 115.700 0.048 0.000 2.488 4963 S HA 0.460 4.930 4.470 0.000 0.000 0.278 4963 S C 0.129 174.771 174.600 0.070 0.000 1.259 4963 S CA -0.609 57.628 58.200 0.063 0.000 1.061 4963 S CB 0.501 63.729 63.200 0.046 0.000 0.910 4963 S HN 0.365 nan 8.310 nan 0.000 0.491 4964 M N 2.902 122.571 119.600 0.115 0.000 2.550 4964 M HA 0.517 4.997 4.480 0.000 0.000 0.292 4964 M C -1.094 175.297 176.300 0.150 0.000 1.221 4964 M CA -0.576 54.775 55.300 0.084 0.000 0.873 4964 M CB 2.284 34.908 32.600 0.040 0.000 1.727 4964 M HN 0.549 nan 8.290 nan 0.000 0.459 4965 I N 1.784 122.387 120.570 0.056 0.000 2.362 4965 I HA 0.367 4.537 4.170 0.000 0.000 0.289 4965 I C -1.332 174.795 176.117 0.016 0.000 0.994 4965 I CA -0.388 60.996 61.300 0.139 0.000 1.158 4965 I CB 1.063 39.169 38.000 0.177 0.000 1.315 4965 I HN 0.467 nan 8.210 nan 0.000 0.451 4966 F N 6.115 126.102 119.950 0.062 0.000 2.334 4966 F HA 0.333 4.860 4.527 0.000 0.000 0.367 4966 F C 0.130 175.966 175.800 0.060 0.000 1.115 4966 F CA -0.677 57.351 58.000 0.046 0.000 1.116 4966 F CB 1.227 40.244 39.000 0.028 0.000 1.230 4966 F HN 0.037 nan 8.300 nan 0.000 0.484 4967 V N 4.652 124.656 119.914 0.149 0.000 2.304 4967 V HA 0.315 4.435 4.120 0.000 0.000 0.269 4967 V C -0.137 176.013 176.094 0.092 0.000 1.036 4967 V CA -0.516 61.858 62.300 0.124 0.000 0.840 4967 V CB 0.342 32.215 31.823 0.084 0.000 1.036 4967 V HN 0.793 nan 8.190 nan 0.000 0.466 4968 E N 3.158 123.422 120.200 0.107 0.000 2.423 4968 E HA 0.608 4.959 4.350 0.000 0.000 0.269 4968 E C -0.727 175.909 176.600 0.060 0.000 0.948 4968 E CA -0.856 55.595 56.400 0.086 0.000 0.802 4968 E CB 1.568 31.338 29.700 0.117 0.000 1.339 4968 E HN 0.206 nan 8.360 nan 0.000 0.445 4969 E N -0.792 119.434 120.200 0.045 0.000 2.416 4969 E HA -0.150 4.200 4.350 0.000 0.000 0.249 4969 E C -0.726 175.894 176.600 0.032 0.000 1.124 4969 E CA 0.569 56.990 56.400 0.034 0.000 0.732 4969 E CB -2.290 27.431 29.700 0.034 0.000 1.286 4969 E HN 0.567 nan 8.360 nan 0.000 0.394 4970 C N 0.639 119.954 119.300 0.026 0.000 2.676 4970 C HA 0.068 4.528 4.460 0.000 0.000 0.416 4970 C C 2.282 177.290 174.990 0.031 0.000 1.299 4970 C CA -0.158 58.874 59.018 0.024 0.000 2.048 4970 C CB 0.451 28.195 27.740 0.006 0.000 2.713 4970 C HN 0.410 nan 8.230 nan 0.000 0.624 4971 K N 0.630 121.059 120.400 0.047 0.000 1.969 4971 K HA -0.145 4.175 4.320 0.000 0.000 0.216 4971 K C 0.601 177.270 176.600 0.115 0.000 1.048 4971 K CA 1.714 58.043 56.287 0.070 0.000 0.948 4971 K CB -0.124 32.418 32.500 0.070 0.000 0.726 4971 K HN 0.749 nan 8.250 nan 0.000 0.442 4972 H N 0.623 119.697 119.070 0.006 0.000 2.569 4972 H HA 0.216 4.773 4.556 0.000 0.000 0.247 4972 H C -2.675 172.654 175.328 0.001 0.000 1.346 4972 H CA -2.319 53.731 56.048 0.004 0.000 1.502 4972 H CB 0.537 30.301 29.762 0.003 0.000 1.512 4972 H HN -0.020 nan 8.280 nan 0.000 0.502 4973 P HA 0.074 nan 4.420 nan 0.000 0.271 4973 P C 0.318 177.479 177.300 -0.232 0.000 1.220 4973 P CA -0.263 62.749 63.100 -0.148 0.000 0.768 4973 P CB 1.667 33.307 31.700 -0.099 0.000 0.848 4974 K N 1.621 121.942 120.400 -0.131 0.000 2.374 4974 K HA 0.316 4.636 4.320 0.000 0.000 0.196 4974 K C -0.038 176.517 176.600 -0.075 0.000 1.023 4974 K CA -0.080 56.146 56.287 -0.102 0.000 1.103 4974 K CB 0.361 32.839 32.500 -0.037 0.000 0.848 4974 K HN 0.576 nan 8.250 nan 0.000 0.528 4975 A N 0.956 123.732 122.820 -0.075 0.000 2.427 4975 A HA 0.528 4.848 4.320 0.000 0.000 0.298 4975 A C -0.940 176.605 177.584 -0.065 0.000 1.036 4975 A CA -0.740 51.258 52.037 -0.063 0.000 0.701 4975 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 4975 A HN 0.042 nan 8.150 nan 0.000 0.412 4976 V N -0.796 119.084 119.914 -0.057 0.000 3.074 4976 V HA 0.969 5.089 4.120 0.000 0.000 0.314 4976 V C -0.428 175.637 176.094 -0.049 0.000 1.117 4976 V CA -0.612 61.658 62.300 -0.049 0.000 1.014 4976 V CB 1.722 33.520 31.823 -0.041 0.000 1.057 4976 V HN 0.826 nan 8.190 nan 0.000 0.438 4977 T N 3.966 118.494 114.554 -0.045 0.000 2.841 4977 T HA 0.552 4.902 4.350 0.000 0.000 0.285 4977 T C -0.572 174.109 174.700 -0.031 0.000 0.991 4977 T CA -0.207 61.861 62.100 -0.053 0.000 0.966 4977 T CB 1.358 70.173 68.868 -0.089 0.000 0.962 4977 T HN 0.956 nan 8.240 nan 0.000 0.438 4978 M N 4.624 124.207 119.600 -0.028 0.000 2.101 4978 M HA 0.544 5.024 4.480 0.000 0.000 0.340 4978 M C -1.421 174.874 176.300 -0.010 0.000 1.057 4978 M CA -1.087 54.207 55.300 -0.009 0.000 0.984 4978 M CB 0.563 33.159 32.600 -0.008 0.000 1.560 4978 M HN 0.484 nan 8.290 nan 0.000 0.435 4979 L N 7.060 128.290 121.223 0.013 0.000 2.257 4979 L HA 0.518 4.858 4.340 0.000 0.000 0.290 4979 L C -1.386 175.502 176.870 0.030 0.000 1.044 4979 L CA -0.035 54.818 54.840 0.022 0.000 0.810 4979 L CB 0.807 42.908 42.059 0.071 0.000 1.193 4979 L HN 0.674 nan 8.230 nan 0.000 0.425 4980 I N 5.965 126.545 120.570 0.017 0.000 2.331 4980 I HA 0.480 4.650 4.170 0.000 0.000 0.292 4980 I C 0.164 176.294 176.117 0.022 0.000 0.998 4980 I CA -0.073 61.237 61.300 0.017 0.000 1.267 4980 I CB 0.685 38.691 38.000 0.009 0.000 1.386 4980 I HN 0.522 nan 8.210 nan 0.000 0.476 4981 R N 3.995 124.509 120.500 0.024 0.000 2.873 4981 R HA 0.944 5.284 4.340 0.000 0.000 0.264 4981 R C -0.232 176.079 176.300 0.019 0.000 1.026 4981 R CA -1.153 54.961 56.100 0.024 0.000 1.002 4981 R CB 1.799 32.115 30.300 0.028 0.000 1.174 4981 R HN 0.821 nan 8.270 nan 0.000 0.488 4982 G N -0.871 107.939 108.800 0.017 0.000 2.340 4982 G HA2 0.062 4.022 3.960 0.000 0.000 0.298 4982 G HA3 0.062 4.022 3.960 0.000 0.000 0.298 4982 G C -0.008 174.901 174.900 0.015 0.000 1.498 4982 G CA -0.560 44.550 45.100 0.017 0.000 0.847 4982 G HN 0.303 nan 8.290 nan 0.000 0.594 4983 T N 0.372 114.936 114.554 0.017 0.000 2.915 4983 T HA 0.200 4.550 4.350 0.000 0.000 0.269 4983 T C 0.865 175.574 174.700 0.015 0.000 1.071 4983 T CA 2.028 64.138 62.100 0.016 0.000 1.132 4983 T CB -0.163 68.717 68.868 0.019 0.000 0.878 4983 T HN 0.666 nan 8.240 nan 0.000 0.479 4984 T N -0.175 114.389 114.554 0.017 0.000 2.853 4984 T HA 0.279 4.629 4.350 0.000 0.000 0.311 4984 T C 0.604 175.296 174.700 -0.012 0.000 1.307 4984 T CA -0.746 61.359 62.100 0.009 0.000 1.019 4984 T CB 2.549 71.440 68.868 0.038 0.000 1.264 4984 T HN -0.081 nan 8.240 nan 0.000 0.497 4985 E N 0.796 120.953 120.200 -0.073 0.000 2.086 4985 E HA -0.256 4.094 4.350 0.000 0.000 0.200 4985 E C 1.543 178.061 176.600 -0.137 0.000 1.012 4985 E CA 2.053 58.366 56.400 -0.144 0.000 0.812 4985 E CB -0.126 29.419 29.700 -0.258 0.000 0.743 4985 E HN 0.626 nan 8.360 nan 0.000 0.453 4986 H N -0.935 118.137 119.070 0.004 0.000 2.495 4986 H HA 0.014 4.570 4.556 0.000 0.000 0.287 4986 H C 2.122 177.452 175.328 0.004 0.000 1.033 4986 H CA 1.211 57.261 56.048 0.003 0.000 1.307 4986 H CB -0.010 29.754 29.762 0.002 0.000 1.401 4986 H HN 0.120 nan 8.280 nan 0.000 0.555 4987 V N 2.036 122.016 119.914 0.109 0.000 2.283 4987 V HA -0.212 3.908 4.120 0.000 0.000 0.243 4987 V C 2.674 178.793 176.094 0.043 0.000 1.039 4987 V CA 1.747 64.086 62.300 0.064 0.000 1.016 4987 V CB -0.572 31.279 31.823 0.046 0.000 0.650 4987 V HN 0.408 nan 8.190 nan 0.000 0.449 4988 I N -1.017 119.569 120.570 0.026 0.000 2.614 4988 I HA -0.162 4.008 4.170 0.000 0.000 0.258 4988 I C 2.256 178.382 176.117 0.016 0.000 1.189 4988 I CA 1.905 63.214 61.300 0.015 0.000 1.462 4988 I CB -0.520 37.482 38.000 0.003 0.000 1.092 4988 I HN 0.427 nan 8.210 nan 0.000 0.442 4989 E N 1.862 122.077 120.200 0.025 0.000 2.047 4989 E HA -0.293 4.057 4.350 0.000 0.000 0.191 4989 E C 2.210 178.834 176.600 0.040 0.000 0.987 4989 E CA 1.386 57.807 56.400 0.035 0.000 0.799 4989 E CB -0.100 29.642 29.700 0.069 0.000 0.752 4989 E HN 0.681 nan 8.360 nan 0.000 0.449 4990 E N -0.173 120.056 120.200 0.049 0.000 2.106 4990 E HA -0.146 4.204 4.350 0.000 0.000 0.192 4990 E C 2.068 178.684 176.600 0.025 0.000 0.984 4990 E CA 1.091 57.512 56.400 0.036 0.000 0.806 4990 E CB 0.246 29.968 29.700 0.037 0.000 0.750 4990 E HN 0.168 nan 8.360 nan 0.000 0.458 4991 V N 1.040 120.969 119.914 0.024 0.000 2.379 4991 V HA -0.209 3.911 4.120 0.000 0.000 0.245 4991 V C 2.428 178.530 176.094 0.013 0.000 1.044 4991 V CA 1.632 63.943 62.300 0.018 0.000 1.036 4991 V CB -0.655 31.179 31.823 0.018 0.000 0.664 4991 V HN 0.408 nan 8.190 nan 0.000 0.453 4992 A N 0.548 123.375 122.820 0.011 0.000 1.908 4992 A HA -0.292 4.028 4.320 0.000 0.000 0.218 4992 A C 2.304 179.892 177.584 0.005 0.000 1.181 4992 A CA 2.372 54.413 52.037 0.005 0.000 0.627 4992 A CB -0.538 18.464 19.000 0.002 0.000 0.818 4992 A HN 0.482 nan 8.150 nan 0.000 0.445 4993 R N 0.082 120.588 120.500 0.010 0.000 2.075 4993 R HA 0.010 4.350 4.340 0.000 0.000 0.232 4993 R C 2.152 178.457 176.300 0.008 0.000 1.126 4993 R CA 1.920 58.025 56.100 0.009 0.000 0.963 4993 R CB -0.843 29.464 30.300 0.012 0.000 0.858 4993 R HN 0.377 nan 8.270 nan 0.000 0.435 4994 A N 0.200 123.027 122.820 0.011 0.000 1.877 4994 A HA -0.122 4.198 4.320 0.000 0.000 0.216 4994 A C 2.240 179.829 177.584 0.008 0.000 1.186 4994 A CA 1.984 54.028 52.037 0.011 0.000 0.620 4994 A CB -0.952 18.057 19.000 0.015 0.000 0.822 4994 A HN 0.332 nan 8.150 nan 0.000 0.443 4995 V N -2.324 117.594 119.914 0.007 0.000 2.871 4995 V HA -0.130 3.990 4.120 0.000 0.000 0.256 4995 V C 1.927 178.021 176.094 0.001 0.000 1.082 4995 V CA 2.058 64.360 62.300 0.004 0.000 1.105 4995 V CB -0.709 31.116 31.823 0.003 0.000 0.713 4995 V HN 0.543 nan 8.190 nan 0.000 0.473 4996 D N 1.527 121.927 120.400 0.000 0.000 2.123 4996 D HA -0.258 4.382 4.640 0.000 0.000 0.196 4996 D C 1.602 177.902 176.300 -0.001 0.000 0.992 4996 D CA 2.262 56.261 54.000 -0.002 0.000 0.833 4996 D CB -0.069 40.730 40.800 -0.002 0.000 0.954 4996 D HN 0.612 nan 8.370 nan 0.000 0.455 4997 D N -0.032 120.368 120.400 0.002 0.000 2.149 4997 D HA -0.017 4.623 4.640 0.000 0.000 0.201 4997 D C 2.013 178.314 176.300 0.003 0.000 0.972 4997 D CA 1.204 55.205 54.000 0.003 0.000 0.835 4997 D CB -0.240 40.563 40.800 0.005 0.000 0.966 4997 D HN 0.240 nan 8.370 nan 0.000 0.476 4998 A N 0.408 123.230 122.820 0.004 0.000 1.902 4998 A HA -0.144 4.176 4.320 0.000 0.000 0.217 4998 A C 2.335 179.919 177.584 0.001 0.000 1.181 4998 A CA 1.065 53.104 52.037 0.004 0.000 0.623 4998 A CB -0.789 18.213 19.000 0.004 0.000 0.818 4998 A HN 0.149 nan 8.150 nan 0.000 0.443 4999 V N -0.074 119.839 119.914 -0.001 0.000 2.343 4999 V HA -0.183 3.937 4.120 0.000 0.000 0.247 4999 V C 2.805 178.897 176.094 -0.003 0.000 1.051 4999 V CA 1.889 64.186 62.300 -0.004 0.000 1.036 4999 V CB -1.436 30.383 31.823 -0.007 0.000 0.654 4999 V HN 0.618 nan 8.190 nan 0.000 0.451 5000 G N 0.548 109.347 108.800 -0.002 0.000 2.446 5000 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 5000 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 5000 G C 1.694 176.595 174.900 0.000 0.000 1.168 5000 G CA 1.671 46.770 45.100 -0.001 0.000 0.771 5000 G HN 0.603 nan 8.290 nan 0.000 0.551 5001 V N -1.720 118.195 119.914 0.001 0.000 2.788 5001 V HA 0.068 4.188 4.120 0.000 0.000 0.251 5001 V C 2.566 178.662 176.094 0.002 0.000 1.068 5001 V CA 1.172 63.473 62.300 0.003 0.000 1.090 5001 V CB -0.183 31.643 31.823 0.005 0.000 0.710 5001 V HN 0.123 nan 8.190 nan 0.000 0.467 5002 V N 1.845 121.760 119.914 0.001 0.000 2.719 5002 V HA 0.077 4.197 4.120 0.000 0.000 0.252 5002 V C 2.783 178.877 176.094 -0.000 0.000 1.065 5002 V CA 1.857 64.157 62.300 0.001 0.000 1.086 5002 V CB -0.818 31.005 31.823 -0.001 0.000 0.700 5002 V HN 0.617 nan 8.190 nan 0.000 0.467 5003 G N -1.234 107.565 108.800 -0.001 0.000 2.421 5003 G HA2 -0.208 3.753 3.960 0.000 0.000 0.217 5003 G HA3 -0.208 3.753 3.960 0.000 0.000 0.217 5003 G C 1.682 176.582 174.900 0.000 0.000 1.143 5003 G CA 1.156 46.255 45.100 -0.001 0.000 0.784 5003 G HN 0.527 nan 8.290 nan 0.000 0.541 5004 C N 0.620 119.921 119.300 0.001 0.000 2.429 5004 C HA -0.013 4.447 4.460 0.000 0.000 0.277 5004 C C 3.184 178.175 174.990 0.002 0.000 1.262 5004 C CA 1.514 60.533 59.018 0.002 0.000 1.733 5004 C CB -0.922 26.819 27.740 0.002 0.000 2.010 5004 C HN 0.414 nan 8.230 nan 0.000 0.483 5005 T N 1.029 115.585 114.554 0.003 0.000 2.915 5005 T HA -0.004 4.346 4.350 0.000 0.000 0.269 5005 T C 1.574 176.276 174.700 0.003 0.000 1.071 5005 T CA 1.060 63.162 62.100 0.003 0.000 1.132 5005 T CB -0.191 68.678 68.868 0.003 0.000 0.878 5005 T HN 0.504 nan 8.240 nan 0.000 0.479 5006 I N 0.524 121.095 120.570 0.003 0.000 2.333 5006 I HA -0.039 4.131 4.170 0.000 0.000 0.246 5006 I C 2.548 178.667 176.117 0.003 0.000 1.106 5006 I CA 1.115 62.416 61.300 0.003 0.000 1.411 5006 I CB -0.161 37.841 38.000 0.003 0.000 1.082 5006 I HN 0.244 nan 8.210 nan 0.000 0.420 5007 E N -0.079 120.122 120.200 0.003 0.000 2.072 5007 E HA -0.142 4.209 4.350 0.000 0.000 0.190 5007 E C 0.508 177.110 176.600 0.003 0.000 0.982 5007 E CA 0.719 57.121 56.400 0.003 0.000 0.803 5007 E CB 0.245 29.947 29.700 0.003 0.000 0.755 5007 E HN 0.191 nan 8.360 nan 0.000 0.453 5008 D N -0.582 119.820 120.400 0.003 0.000 2.454 5008 D HA 0.126 4.766 4.640 0.000 0.000 0.247 5008 D C -0.077 176.225 176.300 0.003 0.000 1.129 5008 D CA -0.301 53.701 54.000 0.003 0.000 0.877 5008 D CB 1.346 42.148 40.800 0.003 0.000 1.082 5008 D HN 0.088 nan 8.370 nan 0.000 0.537 5009 G N 3.210 112.012 108.800 0.003 0.000 3.332 5009 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 5009 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 5009 G C 0.476 175.378 174.900 0.004 0.000 1.276 5009 G CA -0.179 44.923 45.100 0.003 0.000 0.988 5009 G HN 0.204 nan 8.290 nan 0.000 0.517 5010 R N -0.343 120.160 120.500 0.004 0.000 2.562 5010 R HA 0.658 4.998 4.340 0.000 0.000 0.298 5010 R C -0.319 175.984 176.300 0.005 0.000 0.961 5010 R CA -0.639 55.463 56.100 0.005 0.000 0.881 5010 R CB 1.660 31.962 30.300 0.004 0.000 1.159 5010 R HN 0.295 nan 8.270 nan 0.000 0.450 5011 I N -0.917 119.657 120.570 0.007 0.000 3.145 5011 I HA 0.859 5.029 4.170 0.000 0.000 0.313 5011 I C -0.668 175.455 176.117 0.010 0.000 1.122 5011 I CA -1.254 60.051 61.300 0.008 0.000 0.987 5011 I CB 2.250 40.255 38.000 0.008 0.000 1.236 5011 I HN 0.336 nan 8.210 nan 0.000 0.453 5012 V N -0.254 119.668 119.914 0.013 0.000 3.049 5012 V HA 0.826 4.946 4.120 0.000 0.000 0.309 5012 V C 0.018 176.124 176.094 0.021 0.000 1.148 5012 V CA -0.380 61.930 62.300 0.017 0.000 0.990 5012 V CB 1.022 32.856 31.823 0.018 0.000 1.039 5012 V HN 1.178 nan 8.190 nan 0.000 0.430 5013 S N 1.950 117.667 115.700 0.028 0.000 2.576 5013 S HA 0.705 5.175 4.470 0.000 0.000 0.276 5013 S C 0.573 175.192 174.600 0.031 0.000 1.339 5013 S CA 0.178 58.397 58.200 0.032 0.000 1.039 5013 S CB 1.014 64.239 63.200 0.041 0.000 0.902 5013 S HN 1.826 nan 8.310 nan 0.000 0.516 5014 G N 0.144 108.963 108.800 0.031 0.000 2.630 5014 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 5014 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 5014 G C 0.925 175.842 174.900 0.028 0.000 1.434 5014 G CA -0.513 44.604 45.100 0.027 0.000 1.057 5014 G HN 2.055 nan 8.290 nan 0.000 0.570 5015 G N -2.050 106.765 108.800 0.025 0.000 2.153 5015 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 5015 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 5015 G C 1.525 176.423 174.900 -0.003 0.000 0.994 5015 G CA 1.157 46.269 45.100 0.020 0.000 0.698 5015 G HN 2.470 nan 8.290 nan 0.000 0.521 5016 G N -1.158 107.632 108.800 -0.017 0.000 2.168 5016 G HA2 -0.142 3.818 3.960 0.000 0.000 0.263 5016 G HA3 -0.142 3.818 3.960 0.000 0.000 0.263 5016 G C 1.500 176.356 174.900 -0.073 0.000 0.977 5016 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 5016 G HN 1.981 nan 8.290 nan 0.000 0.533 5017 S N 0.087 115.763 115.700 -0.040 0.000 2.382 5017 S HA -0.160 4.311 4.470 0.000 0.000 0.228 5017 S C 2.799 177.336 174.600 -0.105 0.000 1.027 5017 S CA 2.657 60.821 58.200 -0.059 0.000 0.991 5017 S CB -0.593 62.679 63.200 0.120 0.000 0.823 5017 S HN 1.378 nan 8.310 nan 0.000 0.469 5018 T N 0.139 114.677 114.554 -0.027 0.000 2.569 5018 T HA -0.125 4.225 4.350 0.000 0.000 0.263 5018 T C 1.569 176.229 174.700 -0.066 0.000 1.074 5018 T CA 1.679 63.770 62.100 -0.014 0.000 1.176 5018 T CB -1.072 67.793 68.868 -0.004 0.000 0.863 5018 T HN 0.376 nan 8.240 nan 0.000 0.410 5019 E N 0.860 121.012 120.200 -0.080 0.000 2.219 5019 E HA -0.052 4.298 4.350 0.000 0.000 0.198 5019 E C 2.215 178.738 176.600 -0.128 0.000 0.998 5019 E CA 0.741 57.085 56.400 -0.092 0.000 0.818 5019 E CB -0.728 28.915 29.700 -0.096 0.000 0.741 5019 E HN 0.457 nan 8.360 nan 0.000 0.477 5020 V N 0.376 120.160 119.914 -0.216 0.000 2.453 5020 V HA -0.217 3.903 4.120 0.000 0.000 0.247 5020 V C 2.258 178.181 176.094 -0.285 0.000 1.048 5020 V CA 1.822 63.937 62.300 -0.309 0.000 1.049 5020 V CB -0.364 31.145 31.823 -0.524 0.000 0.672 5020 V HN 0.223 nan 8.190 nan 0.000 0.457 5021 E N 0.518 120.556 120.200 -0.269 0.000 2.051 5021 E HA -0.204 4.146 4.350 0.000 0.000 0.192 5021 E C 1.881 178.500 176.600 0.032 0.000 0.991 5021 E CA 1.447 57.882 56.400 0.059 0.000 0.799 5021 E CB -0.324 29.496 29.700 0.201 0.000 0.748 5021 E HN 0.368 nan 8.360 nan 0.000 0.449 5022 L N 0.356 121.577 121.223 -0.003 0.000 2.093 5022 L HA -0.052 4.288 4.340 0.000 0.000 0.208 5022 L C 2.409 179.293 176.870 0.022 0.000 1.085 5022 L CA 1.513 56.361 54.840 0.013 0.000 0.755 5022 L CB -0.877 41.188 42.059 0.010 0.000 0.904 5022 L HN 0.062 nan 8.230 nan 0.000 0.435 5023 S N -1.097 114.597 115.700 -0.009 0.000 2.356 5023 S HA -0.169 4.301 4.470 0.000 0.000 0.223 5023 S C 1.983 176.601 174.600 0.029 0.000 1.032 5023 S CA 1.225 59.426 58.200 0.001 0.000 1.005 5023 S CB -0.182 62.995 63.200 -0.037 0.000 0.867 5023 S HN 0.292 nan 8.310 nan 0.000 0.449 5024 M N 0.994 120.610 119.600 0.027 0.000 2.099 5024 M HA 0.007 4.487 4.480 0.000 0.000 0.262 5024 M C 1.997 178.335 176.300 0.064 0.000 1.067 5024 M CA 1.503 56.832 55.300 0.048 0.000 1.124 5024 M CB -1.167 31.472 32.600 0.064 0.000 1.353 5024 M HN 0.054 nan 8.290 nan 0.000 0.410 5025 K N 0.392 120.830 120.400 0.064 0.000 2.155 5025 K HA 0.073 4.393 4.320 0.000 0.000 0.203 5025 K C 1.960 178.621 176.600 0.101 0.000 1.052 5025 K CA 0.749 57.079 56.287 0.071 0.000 0.948 5025 K CB -0.428 32.101 32.500 0.048 0.000 0.728 5025 K HN 0.268 nan 8.250 nan 0.000 0.448 5026 L N -0.138 121.144 121.223 0.098 0.000 2.240 5026 L HA -0.057 4.283 4.340 0.000 0.000 0.211 5026 L C 2.113 179.094 176.870 0.185 0.000 1.106 5026 L CA 0.850 55.782 54.840 0.153 0.000 0.793 5026 L CB -0.171 41.978 42.059 0.150 0.000 0.927 5026 L HN 0.113 nan 8.230 nan 0.000 0.446 5027 R N 0.140 120.714 120.500 0.125 0.000 2.092 5027 R HA -0.148 4.193 4.340 0.000 0.000 0.231 5027 R C 2.045 178.401 176.300 0.093 0.000 1.119 5027 R CA 1.238 57.397 56.100 0.099 0.000 0.970 5027 R CB -0.170 30.171 30.300 0.068 0.000 0.864 5027 R HN 0.449 nan 8.270 nan 0.000 0.440 5028 E N -0.370 119.891 120.200 0.102 0.000 2.107 5028 E HA -0.200 4.150 4.350 0.000 0.000 0.191 5028 E C 1.580 178.248 176.600 0.113 0.000 0.982 5028 E CA 0.858 57.312 56.400 0.091 0.000 0.809 5028 E CB -0.099 29.652 29.700 0.086 0.000 0.756 5028 E HN 0.298 nan 8.360 nan 0.000 0.459 5029 Y N 1.383 121.696 120.300 0.021 0.000 2.181 5029 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 5029 Y C 2.211 178.120 175.900 0.014 0.000 1.146 5029 Y CA 1.306 59.414 58.100 0.014 0.000 1.164 5029 Y CB -0.396 38.070 38.460 0.010 0.000 0.982 5029 Y HN -0.010 nan 8.280 nan 0.000 0.515 5030 A N -0.140 122.702 122.820 0.037 0.000 1.933 5030 A HA -0.225 4.095 4.320 0.000 0.000 0.218 5030 A C 2.103 179.647 177.584 -0.066 0.000 1.175 5030 A CA 1.886 53.908 52.037 -0.026 0.000 0.628 5030 A CB -0.790 18.246 19.000 0.061 0.000 0.814 5030 A HN 0.502 nan 8.150 nan 0.000 0.444 5031 E N -0.050 120.130 120.200 -0.033 0.000 2.110 5031 E HA -0.075 4.275 4.350 0.000 0.000 0.193 5031 E C 1.932 178.492 176.600 -0.068 0.000 0.988 5031 E CA 1.496 57.876 56.400 -0.032 0.000 0.804 5031 E CB -0.656 29.041 29.700 -0.005 0.000 0.745 5031 E HN 0.444 nan 8.360 nan 0.000 0.458 5032 G N 0.324 109.056 108.800 -0.113 0.000 2.421 5032 G HA2 -0.134 3.826 3.960 0.000 0.000 0.217 5032 G HA3 -0.134 3.826 3.960 0.000 0.000 0.217 5032 G C 1.433 176.221 174.900 -0.187 0.000 1.143 5032 G CA 0.615 45.632 45.100 -0.140 0.000 0.784 5032 G HN 0.201 nan 8.290 nan 0.000 0.541 5033 I N 0.367 120.778 120.570 -0.265 0.000 2.193 5033 I HA 0.005 4.175 4.170 0.000 0.000 0.240 5033 I C 1.705 177.749 176.117 -0.121 0.000 1.084 5033 I CA 1.086 62.245 61.300 -0.234 0.000 1.365 5033 I CB -1.092 36.743 38.000 -0.275 0.000 1.064 5033 I HN 0.298 nan 8.210 nan 0.000 0.410 5034 S N -1.235 114.411 115.700 -0.090 0.000 3.443 5034 S HA -0.117 4.353 4.470 0.000 0.000 0.635 5034 S C 0.766 175.344 174.600 -0.037 0.000 2.555 5034 S CA 1.446 59.616 58.200 -0.051 0.000 2.778 5034 S CB -1.357 61.815 63.200 -0.046 0.000 0.331 5034 S HN 1.428 nan 8.310 nan 0.000 1.765 5035 G N 1.142 109.927 108.800 -0.025 0.000 2.566 5035 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 5035 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 5035 G C 0.350 175.245 174.900 -0.008 0.000 1.225 5035 G CA 1.673 46.763 45.100 -0.017 0.000 0.966 5035 G HN 1.869 nan 8.290 nan 0.000 0.560 5036 R N 0.422 120.920 120.500 -0.003 0.000 2.223 5036 R HA 0.322 4.662 4.340 0.000 0.000 0.198 5036 R C 2.043 178.351 176.300 0.013 0.000 0.984 5036 R CA 1.360 57.465 56.100 0.008 0.000 1.018 5036 R CB -0.208 30.099 30.300 0.012 0.000 0.945 5036 R HN 0.640 nan 8.270 nan 0.000 0.479 5037 E N 2.086 122.288 120.200 0.003 0.000 2.204 5037 E HA -0.257 4.093 4.350 0.000 0.000 0.195 5037 E C 1.984 178.597 176.600 0.021 0.000 0.990 5037 E CA 1.615 58.020 56.400 0.008 0.000 0.821 5037 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 5037 E HN 0.653 nan 8.360 nan 0.000 0.477 5038 Q N 0.842 120.646 119.800 0.007 0.000 2.124 5038 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 5038 Q C 2.247 178.280 176.000 0.056 0.000 0.977 5038 Q CA 1.092 56.903 55.803 0.013 0.000 0.850 5038 Q CB -0.319 28.415 28.738 -0.006 0.000 0.901 5038 Q HN 0.223 nan 8.270 nan 0.000 0.429 5039 L N 1.211 122.468 121.223 0.056 0.000 2.083 5039 L HA -0.052 4.288 4.340 0.000 0.000 0.209 5039 L C 2.429 179.376 176.870 0.129 0.000 1.083 5039 L CA 2.028 56.913 54.840 0.076 0.000 0.752 5039 L CB -0.860 41.233 42.059 0.056 0.000 0.899 5039 L HN 0.338 nan 8.230 nan 0.000 0.433 5040 A N -1.349 121.556 122.820 0.141 0.000 1.902 5040 A HA -0.134 4.186 4.320 0.000 0.000 0.217 5040 A C 2.229 180.039 177.584 0.378 0.000 1.181 5040 A CA 1.928 54.118 52.037 0.256 0.000 0.623 5040 A CB -0.974 18.111 19.000 0.141 0.000 0.818 5040 A HN 0.290 nan 8.150 nan 0.000 0.443 5041 V N -0.124 119.933 119.914 0.238 0.000 2.453 5041 V HA -0.213 3.907 4.120 0.000 0.000 0.247 5041 V C 2.582 178.811 176.094 0.224 0.000 1.048 5041 V CA 1.999 64.435 62.300 0.227 0.000 1.049 5041 V CB -0.812 31.119 31.823 0.180 0.000 0.672 5041 V HN 0.508 nan 8.190 nan 0.000 0.457 5042 R N 0.385 120.986 120.500 0.168 0.000 2.081 5042 R HA -0.088 4.252 4.340 0.000 0.000 0.235 5042 R C 2.444 178.821 176.300 0.128 0.000 1.131 5042 R CA 1.494 57.671 56.100 0.128 0.000 0.960 5042 R CB -0.567 29.787 30.300 0.089 0.000 0.856 5042 R HN 0.520 nan 8.270 nan 0.000 0.436 5043 A N 0.564 123.481 122.820 0.163 0.000 1.930 5043 A HA -0.161 4.159 4.320 0.000 0.000 0.217 5043 A C 1.942 179.578 177.584 0.088 0.000 1.175 5043 A CA 0.889 53.012 52.037 0.144 0.000 0.627 5043 A CB -0.557 18.573 19.000 0.216 0.000 0.815 5043 A HN 0.341 nan 8.150 nan 0.000 0.443 5044 F N 0.917 120.836 119.950 -0.051 0.000 2.102 5044 F HA -0.088 4.439 4.527 0.000 0.000 0.298 5044 F C 2.538 178.253 175.800 -0.141 0.000 1.105 5044 F CA 1.335 59.177 58.000 -0.264 0.000 1.239 5044 F CB -0.264 38.549 39.000 -0.311 0.000 0.991 5044 F HN 0.255 nan 8.300 nan 0.000 0.474 5045 A N -0.159 122.754 122.820 0.155 0.000 1.902 5045 A HA -0.198 4.122 4.320 0.000 0.000 0.217 5045 A C 1.933 179.498 177.584 -0.031 0.000 1.181 5045 A CA 2.028 54.111 52.037 0.077 0.000 0.623 5045 A CB -0.981 18.088 19.000 0.116 0.000 0.818 5045 A HN 0.419 nan 8.150 nan 0.000 0.443 5046 D N -0.110 120.277 120.400 -0.021 0.000 2.178 5046 D HA 0.024 4.664 4.640 0.000 0.000 0.202 5046 D C 2.156 178.403 176.300 -0.089 0.000 0.974 5046 D CA 1.265 55.242 54.000 -0.039 0.000 0.841 5046 D CB -0.330 40.466 40.800 -0.008 0.000 0.953 5046 D HN 0.418 nan 8.370 nan 0.000 0.478 5047 A N 0.428 123.159 122.820 -0.148 0.000 1.972 5047 A HA -0.127 4.194 4.320 0.000 0.000 0.219 5047 A C 1.994 179.441 177.584 -0.230 0.000 1.169 5047 A CA 0.773 52.688 52.037 -0.203 0.000 0.635 5047 A CB -0.500 18.315 19.000 -0.308 0.000 0.810 5047 A HN 0.152 nan 8.150 nan 0.000 0.446 5048 L N 0.364 121.428 121.223 -0.265 0.000 2.353 5048 L HA -0.110 4.230 4.340 0.000 0.000 0.220 5048 L C 2.002 178.786 176.870 -0.143 0.000 1.133 5048 L CA 1.339 56.046 54.840 -0.222 0.000 0.798 5048 L CB -0.583 41.354 42.059 -0.203 0.000 0.922 5048 L HN 0.393 nan 8.230 nan 0.000 0.445 5049 E N -1.014 119.116 120.200 -0.117 0.000 2.409 5049 E HA -0.135 4.215 4.350 0.000 0.000 0.198 5049 E C 2.337 178.889 176.600 -0.081 0.000 1.024 5049 E CA 0.663 57.010 56.400 -0.088 0.000 0.861 5049 E CB -0.402 29.258 29.700 -0.068 0.000 0.788 5049 E HN 0.352 nan 8.360 nan 0.000 0.521 5050 V N 1.282 121.141 119.914 -0.092 0.000 2.568 5050 V HA -0.231 3.889 4.120 0.000 0.000 0.253 5050 V C 1.889 177.941 176.094 -0.070 0.000 1.072 5050 V CA 1.023 63.277 62.300 -0.077 0.000 1.084 5050 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 5050 V HN 0.127 nan 8.190 nan 0.000 0.469 5051 I N 1.362 121.886 120.570 -0.077 0.000 2.133 5051 I HA -0.051 4.119 4.170 0.000 0.000 0.238 5051 I C 0.227 176.309 176.117 -0.058 0.000 1.074 5051 I CA 1.786 63.046 61.300 -0.067 0.000 1.342 5051 I CB -2.909 35.049 38.000 -0.070 0.000 1.053 5051 I HN 0.348 nan 8.210 nan 0.000 0.404 5052 P HA -0.145 nan 4.420 nan 0.000 0.221 5052 P C 1.750 179.022 177.300 -0.047 0.000 1.150 5052 P CA 1.388 64.458 63.100 -0.051 0.000 0.800 5052 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 5053 R N -0.054 120.417 120.500 -0.049 0.000 2.066 5053 R HA -0.050 4.290 4.340 0.000 0.000 0.232 5053 R C 1.978 178.252 176.300 -0.043 0.000 1.131 5053 R CA 1.915 57.989 56.100 -0.043 0.000 0.955 5053 R CB -0.691 29.584 30.300 -0.043 0.000 0.851 5053 R HN 0.052 nan 8.270 nan 0.000 0.432 5054 T N 1.329 115.855 114.554 -0.047 0.000 2.942 5054 T HA 0.016 4.366 4.350 0.000 0.000 0.265 5054 T C 1.774 176.444 174.700 -0.050 0.000 1.062 5054 T CA 0.760 62.833 62.100 -0.046 0.000 1.139 5054 T CB -0.015 68.825 68.868 -0.046 0.000 0.883 5054 T HN 0.142 nan 8.240 nan 0.000 0.468 5055 L N 0.921 122.111 121.223 -0.054 0.000 2.042 5055 L HA -0.136 4.204 4.340 0.000 0.000 0.210 5055 L C 3.003 179.833 176.870 -0.067 0.000 1.076 5055 L CA 1.387 56.189 54.840 -0.063 0.000 0.749 5055 L CB -0.615 41.408 42.059 -0.060 0.000 0.893 5055 L HN 0.250 nan 8.230 nan 0.000 0.432 5056 A N -0.510 122.277 122.820 -0.055 0.000 1.929 5056 A HA -0.185 4.135 4.320 0.000 0.000 0.216 5056 A C 2.170 179.724 177.584 -0.049 0.000 1.176 5056 A CA 1.337 53.343 52.037 -0.051 0.000 0.628 5056 A CB -0.359 18.617 19.000 -0.040 0.000 0.816 5056 A HN 0.416 nan 8.150 nan 0.000 0.444 5057 E N 0.035 120.208 120.200 -0.044 0.000 2.058 5057 E HA -0.193 4.157 4.350 0.000 0.000 0.194 5057 E C 1.643 178.216 176.600 -0.044 0.000 0.997 5057 E CA 1.296 57.672 56.400 -0.040 0.000 0.801 5057 E CB -0.172 29.506 29.700 -0.036 0.000 0.746 5057 E HN 0.530 nan 8.360 nan 0.000 0.450 5058 N N 0.286 118.955 118.700 -0.052 0.000 2.309 5058 N HA -0.084 4.656 4.740 0.000 0.000 0.182 5058 N C 1.450 176.917 175.510 -0.071 0.000 1.018 5058 N CA 1.057 54.072 53.050 -0.058 0.000 0.876 5058 N CB -0.132 38.318 38.487 -0.062 0.000 0.972 5058 N HN 0.109 nan 8.380 nan 0.000 0.434 5059 A N -0.021 122.750 122.820 -0.082 0.000 2.067 5059 A HA 0.320 4.640 4.320 0.000 0.000 0.217 5059 A C 1.463 179.008 177.584 -0.066 0.000 1.156 5059 A CA 1.060 53.040 52.037 -0.096 0.000 0.683 5059 A CB -0.412 18.519 19.000 -0.114 0.000 0.808 5059 A HN 0.310 nan 8.150 nan 0.000 0.455 5060 G N -1.148 107.621 108.800 -0.051 0.000 2.171 5060 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 5060 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 5060 G C -0.061 174.821 174.900 -0.031 0.000 1.039 5060 G CA 0.318 45.395 45.100 -0.037 0.000 0.759 5060 G HN 0.446 nan 8.290 nan 0.000 0.501 5061 L N -0.091 121.111 121.223 -0.034 0.000 2.375 5061 L HA 0.484 4.825 4.340 0.000 0.000 0.268 5061 L C 0.477 177.333 176.870 -0.023 0.000 1.058 5061 L CA -1.075 53.748 54.840 -0.027 0.000 0.803 5061 L CB 0.933 42.973 42.059 -0.031 0.000 1.212 5061 L HN 0.113 nan 8.230 nan 0.000 0.451 5062 D N 1.055 121.445 120.400 -0.017 0.000 2.342 5062 D HA 0.118 4.759 4.640 0.000 0.000 0.260 5062 D C 0.739 177.029 176.300 -0.016 0.000 1.278 5062 D CA 0.117 54.109 54.000 -0.014 0.000 0.910 5062 D CB 1.733 42.528 40.800 -0.010 0.000 1.079 5062 D HN 0.632 nan 8.370 nan 0.000 0.496 5063 A N 5.462 128.271 122.820 -0.018 0.000 1.908 5063 A HA -0.196 4.125 4.320 0.000 0.000 0.218 5063 A C 2.159 179.733 177.584 -0.016 0.000 1.181 5063 A CA 0.863 52.888 52.037 -0.020 0.000 0.627 5063 A CB -0.270 18.717 19.000 -0.022 0.000 0.818 5063 A HN 0.705 nan 8.150 nan 0.000 0.445 5064 I N -0.162 120.400 120.570 -0.013 0.000 2.179 5064 I HA -0.213 3.957 4.170 0.000 0.000 0.242 5064 I C 2.452 178.565 176.117 -0.007 0.000 1.088 5064 I CA 1.870 63.164 61.300 -0.010 0.000 1.357 5064 I CB -1.462 36.533 38.000 -0.007 0.000 1.051 5064 I HN 0.601 nan 8.210 nan 0.000 0.409 5065 E N 1.485 121.681 120.200 -0.006 0.000 2.051 5065 E HA -0.228 4.122 4.350 0.000 0.000 0.192 5065 E C 2.343 178.941 176.600 -0.002 0.000 0.991 5065 E CA 1.798 58.196 56.400 -0.003 0.000 0.799 5065 E CB -0.110 29.588 29.700 -0.003 0.000 0.748 5065 E HN 0.610 nan 8.360 nan 0.000 0.449 5066 I N -1.414 119.153 120.570 -0.005 0.000 2.439 5066 I HA -0.163 4.007 4.170 0.000 0.000 0.251 5066 I C 2.225 178.339 176.117 -0.006 0.000 1.139 5066 I CA 0.874 62.171 61.300 -0.005 0.000 1.438 5066 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 5066 I HN 0.073 nan 8.210 nan 0.000 0.427 5067 L N 0.779 121.995 121.223 -0.010 0.000 2.093 5067 L HA -0.110 4.230 4.340 0.000 0.000 0.208 5067 L C 2.681 179.548 176.870 -0.005 0.000 1.085 5067 L CA 0.808 55.640 54.840 -0.013 0.000 0.755 5067 L CB -0.405 41.644 42.059 -0.017 0.000 0.904 5067 L HN 0.168 nan 8.230 nan 0.000 0.435 5068 V N -0.267 119.647 119.914 -0.001 0.000 2.323 5068 V HA -0.231 3.889 4.120 0.000 0.000 0.244 5068 V C 2.377 178.478 176.094 0.012 0.000 1.041 5068 V CA 1.650 63.953 62.300 0.005 0.000 1.025 5068 V CB -0.381 31.445 31.823 0.005 0.000 0.656 5068 V HN 0.384 nan 8.190 nan 0.000 0.451 5069 K N -0.370 120.036 120.400 0.011 0.000 2.103 5069 K HA -0.046 4.274 4.320 0.000 0.000 0.204 5069 K C 2.045 178.661 176.600 0.026 0.000 1.052 5069 K CA 1.003 57.300 56.287 0.017 0.000 0.945 5069 K CB -0.185 32.323 32.500 0.013 0.000 0.722 5069 K HN 0.292 nan 8.250 nan 0.000 0.443 5070 V N 1.183 121.111 119.914 0.023 0.000 2.323 5070 V HA -0.175 3.945 4.120 0.000 0.000 0.244 5070 V C 2.356 178.484 176.094 0.057 0.000 1.041 5070 V CA 1.458 63.779 62.300 0.035 0.000 1.025 5070 V CB -0.393 31.437 31.823 0.012 0.000 0.656 5070 V HN 0.269 nan 8.190 nan 0.000 0.451 5071 R N 0.095 120.613 120.500 0.030 0.000 2.081 5071 R HA -0.165 4.175 4.340 0.000 0.000 0.235 5071 R C 2.292 178.640 176.300 0.080 0.000 1.131 5071 R CA 1.722 57.845 56.100 0.037 0.000 0.960 5071 R CB -0.412 29.894 30.300 0.009 0.000 0.856 5071 R HN 0.500 nan 8.270 nan 0.000 0.436 5072 A N 0.492 123.345 122.820 0.055 0.000 1.873 5072 A HA -0.050 4.270 4.320 0.000 0.000 0.215 5072 A C 2.316 179.932 177.584 0.054 0.000 1.186 5072 A CA 1.539 53.605 52.037 0.049 0.000 0.616 5072 A CB -0.753 18.265 19.000 0.031 0.000 0.823 5072 A HN 0.506 nan 8.150 nan 0.000 0.442 5073 A N -0.986 121.868 122.820 0.056 0.000 1.933 5073 A HA -0.148 4.172 4.320 0.000 0.000 0.218 5073 A C 1.983 179.599 177.584 0.053 0.000 1.175 5073 A CA 2.070 54.135 52.037 0.046 0.000 0.628 5073 A CB -0.847 18.178 19.000 0.042 0.000 0.814 5073 A HN 0.805 nan 8.150 nan 0.000 0.444 5074 H N -0.112 118.961 119.070 0.005 0.000 2.293 5074 H HA 0.049 4.605 4.556 0.000 0.000 0.300 5074 H C 2.180 177.511 175.328 0.005 0.000 1.082 5074 H CA 2.063 58.114 56.048 0.005 0.000 1.308 5074 H CB -0.246 29.518 29.762 0.004 0.000 1.375 5074 H HN 0.367 nan 8.280 nan 0.000 0.495 5075 A N -0.540 122.336 122.820 0.094 0.000 1.940 5075 A HA -0.188 4.132 4.320 0.000 0.000 0.219 5075 A C 2.582 180.147 177.584 -0.032 0.000 1.176 5075 A CA 2.012 54.076 52.037 0.045 0.000 0.631 5075 A CB -1.067 17.986 19.000 0.088 0.000 0.814 5075 A HN 0.530 nan 8.150 nan 0.000 0.446 5076 S N -0.495 115.191 115.700 -0.024 0.000 2.341 5076 S HA -0.087 4.383 4.470 0.000 0.000 0.216 5076 S C 1.859 176.428 174.600 -0.051 0.000 1.034 5076 S CA 1.062 59.246 58.200 -0.027 0.000 0.964 5076 S CB -0.405 62.790 63.200 -0.008 0.000 0.882 5076 S HN 0.598 nan 8.310 nan 0.000 0.469 5077 N N 1.159 119.824 118.700 -0.058 0.000 2.396 5077 N HA 0.216 4.956 4.740 0.000 0.000 0.180 5077 N C 1.074 176.522 175.510 -0.104 0.000 1.028 5077 N CA 1.000 54.013 53.050 -0.062 0.000 0.893 5077 N CB -0.072 38.392 38.487 -0.038 0.000 0.967 5077 N HN 0.623 nan 8.380 nan 0.000 0.440 5078 G N 0.362 109.042 108.800 -0.200 0.000 2.396 5078 G HA2 -0.227 3.733 3.960 0.000 0.000 0.254 5078 G HA3 -0.227 3.733 3.960 0.000 0.000 0.254 5078 G C 0.014 174.670 174.900 -0.406 0.000 1.248 5078 G CA 0.042 44.981 45.100 -0.268 0.000 1.033 5078 G HN 0.253 nan 8.290 nan 0.000 0.502 5079 N N -0.479 118.081 118.700 -0.234 0.000 2.414 5079 N HA 0.028 4.768 4.740 0.000 0.000 0.177 5079 N C 1.502 177.017 175.510 0.008 0.000 1.062 5079 N CA 0.754 53.767 53.050 -0.060 0.000 0.890 5079 N CB 0.037 38.555 38.487 0.052 0.000 1.070 5079 N HN 0.296 nan 8.380 nan 0.000 0.454 5080 K N 0.004 120.392 120.400 -0.019 0.000 2.404 5080 K HA 0.156 4.476 4.320 0.000 0.000 0.194 5080 K C -0.251 176.346 176.600 -0.005 0.000 1.023 5080 K CA 0.063 56.349 56.287 -0.003 0.000 1.094 5080 K CB 0.035 32.530 32.500 -0.007 0.000 0.841 5080 K HN 0.093 nan 8.250 nan 0.000 0.523 5081 C N 0.157 119.448 119.300 -0.015 0.000 3.517 5081 C HA 0.820 5.280 4.460 0.000 0.000 0.202 5081 C C -0.264 174.726 174.990 0.000 0.000 1.370 5081 C CA -0.167 58.845 59.018 -0.009 0.000 1.308 5081 C CB -1.397 26.328 27.740 -0.024 0.000 1.840 5081 C HN 0.450 nan 8.230 nan 0.000 0.525 5082 A N 1.289 124.131 122.820 0.037 0.000 5.650 5082 A HA 0.955 5.275 4.320 0.000 0.000 0.194 5082 A C 0.427 178.059 177.584 0.080 0.000 0.895 5082 A CA 0.472 52.554 52.037 0.075 0.000 0.804 5082 A CB -0.379 18.712 19.000 0.151 0.000 2.103 5082 A HN 2.342 nan 8.150 nan 0.000 1.022 5083 G N -1.866 106.997 108.800 0.104 0.000 2.846 5083 G HA2 0.341 4.302 3.960 0.000 0.000 0.660 5083 G HA3 0.341 4.302 3.960 0.000 0.000 0.660 5083 G C -0.624 174.303 174.900 0.045 0.000 1.464 5083 G CA 0.043 45.181 45.100 0.064 0.000 0.891 5083 G HN 2.104 nan 8.290 nan 0.000 0.552 5084 L N 0.917 122.157 121.223 0.029 0.000 2.289 5084 L HA 0.620 4.960 4.340 0.000 0.000 0.285 5084 L C 0.522 177.414 176.870 0.037 0.000 1.049 5084 L CA -0.770 54.084 54.840 0.023 0.000 0.804 5084 L CB 1.402 43.462 42.059 0.001 0.000 1.195 5084 L HN 0.731 nan 8.230 nan 0.000 0.428 5085 N N 4.067 122.797 118.700 0.051 0.000 2.485 5085 N HA 0.125 4.865 4.740 0.000 0.000 0.243 5085 N C 0.905 176.451 175.510 0.059 0.000 0.987 5085 N CA -0.155 52.952 53.050 0.094 0.000 0.940 5085 N CB 1.401 39.959 38.487 0.117 0.000 1.122 5085 N HN 0.713 nan 8.380 nan 0.000 0.509 5086 V N 2.078 121.986 119.914 -0.010 0.000 2.970 5086 V HA -0.040 4.080 4.120 0.000 0.000 0.260 5086 V C 1.409 177.399 176.094 -0.173 0.000 1.100 5086 V CA 1.011 63.231 62.300 -0.135 0.000 1.122 5086 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 5086 V HN 0.475 nan 8.190 nan 0.000 0.483 5087 F N 2.471 122.419 119.950 -0.002 0.000 2.293 5087 F HA -0.021 4.506 4.527 0.000 0.000 0.297 5087 F C 2.659 178.458 175.800 -0.001 0.000 1.089 5087 F CA 1.777 59.776 58.000 -0.002 0.000 1.377 5087 F CB -0.331 38.669 39.000 -0.001 0.000 1.051 5087 F HN 0.377 nan 8.300 nan 0.000 0.511 5088 T N -4.106 110.550 114.554 0.170 0.000 3.001 5088 T HA 0.375 4.725 4.350 0.000 0.000 0.251 5088 T C 1.483 176.211 174.700 0.048 0.000 1.040 5088 T CA 0.415 62.570 62.100 0.092 0.000 0.985 5088 T CB 0.327 69.241 68.868 0.076 0.000 1.011 5088 T HN 0.342 nan 8.240 nan 0.000 0.509 5089 G N 1.099 109.919 108.800 0.033 0.000 2.248 5089 G HA2 0.273 4.233 3.960 0.000 0.000 0.263 5089 G HA3 0.273 4.233 3.960 0.000 0.000 0.263 5089 G C 0.060 174.966 174.900 0.010 0.000 1.082 5089 G CA -0.226 44.877 45.100 0.005 0.000 0.863 5089 G HN 1.424 nan 8.290 nan 0.000 0.495 5090 A N -1.663 121.169 122.820 0.020 0.000 2.608 5090 A HA 0.881 5.201 4.320 0.000 0.000 0.292 5090 A C 0.034 177.634 177.584 0.026 0.000 1.066 5090 A CA 0.129 52.178 52.037 0.019 0.000 0.676 5090 A CB 1.390 20.403 19.000 0.021 0.000 1.277 5090 A HN 1.802 nan 8.150 nan 0.000 0.413 5091 V N 1.669 121.597 119.914 0.023 0.000 2.673 5091 V HA 0.407 4.527 4.120 0.000 0.000 0.303 5091 V C 0.020 176.133 176.094 0.032 0.000 1.046 5091 V CA 1.024 63.341 62.300 0.029 0.000 1.126 5091 V CB 0.443 32.284 31.823 0.029 0.000 0.934 5091 V HN 0.914 nan 8.190 nan 0.000 0.487 5092 E N 3.827 124.050 120.200 0.038 0.000 2.359 5092 E HA 0.372 4.723 4.350 0.000 0.000 0.223 5092 E C -1.476 175.145 176.600 0.035 0.000 0.877 5092 E CA -0.654 55.767 56.400 0.035 0.000 0.887 5092 E CB 0.829 30.553 29.700 0.041 0.000 1.890 5092 E HN 0.707 nan 8.360 nan 0.000 0.419 5093 D N 1.235 121.653 120.400 0.029 0.000 2.472 5093 D HA 0.192 4.833 4.640 0.000 0.000 0.234 5093 D C 0.832 177.149 176.300 0.028 0.000 1.088 5093 D CA -0.274 53.742 54.000 0.025 0.000 0.882 5093 D CB 0.579 41.388 40.800 0.015 0.000 1.037 5093 D HN 0.186 nan 8.370 nan 0.000 0.520 5094 M N 1.747 121.369 119.600 0.037 0.000 2.117 5094 M HA -0.142 4.338 4.480 0.000 0.000 0.262 5094 M C 2.310 178.626 176.300 0.027 0.000 1.065 5094 M CA 0.818 56.141 55.300 0.039 0.000 1.114 5094 M CB -1.157 31.471 32.600 0.047 0.000 1.361 5094 M HN 0.549 nan 8.290 nan 0.000 0.408 5095 C N 0.601 119.914 119.300 0.023 0.000 2.432 5095 C HA -0.184 4.276 4.460 0.000 0.000 0.277 5095 C C 2.731 177.726 174.990 0.008 0.000 1.249 5095 C CA 1.618 60.645 59.018 0.015 0.000 1.725 5095 C CB -0.871 26.877 27.740 0.013 0.000 2.028 5095 C HN 0.600 nan 8.230 nan 0.000 0.477 5096 E N 1.123 121.326 120.200 0.007 0.000 2.110 5096 E HA -0.139 4.211 4.350 0.000 0.000 0.193 5096 E C 1.609 178.208 176.600 -0.002 0.000 0.988 5096 E CA 1.569 57.969 56.400 0.001 0.000 0.804 5096 E CB -0.420 29.281 29.700 0.002 0.000 0.745 5096 E HN 0.624 nan 8.360 nan 0.000 0.458 5097 N N -0.337 118.363 118.700 0.000 0.000 2.461 5097 N HA 0.055 4.795 4.740 0.000 0.000 0.188 5097 N C 0.624 176.125 175.510 -0.015 0.000 1.134 5097 N CA 0.944 53.989 53.050 -0.009 0.000 0.878 5097 N CB 0.554 39.040 38.487 -0.002 0.000 0.972 5097 N HN 0.319 nan 8.380 nan 0.000 0.456 5098 G N -0.082 108.714 108.800 -0.006 0.000 2.153 5098 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 5098 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 5098 G C -0.051 174.850 174.900 0.001 0.000 0.994 5098 G CA 0.183 45.279 45.100 -0.006 0.000 0.698 5098 G HN 0.207 nan 8.290 nan 0.000 0.521 5099 V N 1.466 121.388 119.914 0.013 0.000 2.222 5099 V HA 0.486 4.607 4.120 0.000 0.000 0.253 5099 V C 0.788 176.898 176.094 0.028 0.000 1.210 5099 V CA 0.120 62.438 62.300 0.030 0.000 1.079 5099 V CB 0.462 32.316 31.823 0.052 0.000 1.265 5099 V HN 1.046 nan 8.190 nan 0.000 0.494 5100 V N 1.565 121.492 119.914 0.021 0.000 2.876 5100 V HA 0.900 5.020 4.120 0.000 0.000 0.312 5100 V C -0.630 175.474 176.094 0.017 0.000 1.085 5100 V CA -0.711 61.600 62.300 0.019 0.000 0.945 5100 V CB 2.489 34.320 31.823 0.014 0.000 1.017 5100 V HN 0.657 nan 8.190 nan 0.000 0.428 5101 E N 2.371 122.581 120.200 0.015 0.000 2.336 5101 E HA 0.653 5.004 4.350 0.000 0.000 0.267 5101 E C -3.234 173.372 176.600 0.010 0.000 0.906 5101 E CA -2.433 53.975 56.400 0.012 0.000 0.781 5101 E CB 2.091 31.799 29.700 0.012 0.000 1.261 5101 E HN 0.464 nan 8.360 nan 0.000 0.436 5102 P HA -0.026 nan 4.420 nan 0.000 0.266 5102 P C 0.892 178.196 177.300 0.006 0.000 1.195 5102 P CA -0.303 62.800 63.100 0.006 0.000 0.768 5102 P CB 0.444 32.147 31.700 0.005 0.000 0.838 5103 L N 4.032 125.258 121.223 0.006 0.000 2.079 5103 L HA -0.206 4.134 4.340 0.000 0.000 0.210 5103 L C 2.087 178.960 176.870 0.004 0.000 1.081 5103 L CA 1.947 56.791 54.840 0.006 0.000 0.752 5103 L CB -0.617 41.445 42.059 0.005 0.000 0.896 5103 L HN 0.242 nan 8.230 nan 0.000 0.433 5104 R N -0.531 119.971 120.500 0.004 0.000 2.117 5104 R HA -0.130 4.211 4.340 0.000 0.000 0.243 5104 R C 2.231 178.533 176.300 0.003 0.000 1.143 5104 R CA 1.558 57.660 56.100 0.004 0.000 0.968 5104 R CB -1.366 28.936 30.300 0.003 0.000 0.863 5104 R HN 0.389 nan 8.270 nan 0.000 0.444 5105 V N 1.652 121.568 119.914 0.003 0.000 2.287 5105 V HA -0.239 3.881 4.120 0.000 0.000 0.248 5105 V C 2.393 178.486 176.094 -0.001 0.000 1.053 5105 V CA 1.754 64.055 62.300 0.001 0.000 1.027 5105 V CB -0.300 31.524 31.823 0.002 0.000 0.646 5105 V HN 0.212 nan 8.190 nan 0.000 0.447 5106 K N -0.716 119.684 120.400 -0.000 0.000 2.137 5106 K HA -0.038 4.282 4.320 0.000 0.000 0.202 5106 K C 2.291 178.891 176.600 0.001 0.000 1.052 5106 K CA 1.499 57.785 56.287 -0.002 0.000 0.961 5106 K CB -0.663 31.836 32.500 -0.002 0.000 0.741 5106 K HN 0.458 nan 8.250 nan 0.000 0.452 5107 T N 0.712 115.268 114.554 0.004 0.000 2.942 5107 T HA -0.119 4.232 4.350 0.000 0.000 0.265 5107 T C 1.823 176.528 174.700 0.009 0.000 1.062 5107 T CA 1.204 63.308 62.100 0.007 0.000 1.139 5107 T CB 0.174 69.046 68.868 0.006 0.000 0.883 5107 T HN 0.071 nan 8.240 nan 0.000 0.468 5108 Q N 0.637 120.441 119.800 0.007 0.000 2.137 5108 Q HA 0.317 4.657 4.340 0.000 0.000 0.198 5108 Q C 2.208 178.213 176.000 0.008 0.000 0.960 5108 Q CA 1.532 57.339 55.803 0.007 0.000 0.847 5108 Q CB -0.685 28.056 28.738 0.005 0.000 0.915 5108 Q HN 0.514 nan 8.270 nan 0.000 0.448 5109 A N 0.748 123.570 122.820 0.003 0.000 1.865 5109 A HA -0.160 4.160 4.320 0.000 0.000 0.217 5109 A C 1.931 179.518 177.584 0.004 0.000 1.191 5109 A CA 1.626 53.662 52.037 -0.002 0.000 0.623 5109 A CB -0.762 18.232 19.000 -0.011 0.000 0.826 5109 A HN 0.450 nan 8.150 nan 0.000 0.444 5110 I N -0.239 120.337 120.570 0.011 0.000 2.286 5110 I HA -0.191 3.979 4.170 0.000 0.000 0.248 5110 I C 2.659 178.808 176.117 0.053 0.000 1.115 5110 I CA 1.199 62.521 61.300 0.037 0.000 1.392 5110 I CB -1.357 36.672 38.000 0.048 0.000 1.065 5110 I HN 0.396 nan 8.210 nan 0.000 0.418 5111 Q N 0.536 120.357 119.800 0.035 0.000 1.965 5111 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 5111 Q C 2.485 178.507 176.000 0.037 0.000 0.981 5111 Q CA 1.765 57.588 55.803 0.033 0.000 0.834 5111 Q CB -0.426 28.324 28.738 0.021 0.000 0.900 5111 Q HN 0.372 nan 8.270 nan 0.000 0.426 5112 S N 0.986 116.702 115.700 0.027 0.000 2.368 5112 S HA -0.117 4.354 4.470 0.000 0.000 0.225 5112 S C 1.951 176.571 174.600 0.033 0.000 1.030 5112 S CA 1.050 59.266 58.200 0.026 0.000 0.999 5112 S CB -0.235 62.975 63.200 0.017 0.000 0.844 5112 S HN 0.492 nan 8.310 nan 0.000 0.459 5113 A N 1.566 124.404 122.820 0.031 0.000 1.873 5113 A HA 0.136 4.456 4.320 0.000 0.000 0.215 5113 A C 2.362 179.986 177.584 0.066 0.000 1.186 5113 A CA 1.678 53.734 52.037 0.032 0.000 0.616 5113 A CB -1.118 17.886 19.000 0.006 0.000 0.823 5113 A HN 0.509 nan 8.150 nan 0.000 0.442 5114 A N -0.617 122.260 122.820 0.096 0.000 1.902 5114 A HA -0.131 4.189 4.320 0.000 0.000 0.217 5114 A C 1.991 179.656 177.584 0.136 0.000 1.181 5114 A CA 1.707 53.842 52.037 0.163 0.000 0.623 5114 A CB -0.375 18.736 19.000 0.186 0.000 0.818 5114 A HN 0.449 nan 8.150 nan 0.000 0.443 5115 E N -0.501 119.752 120.200 0.089 0.000 2.072 5115 E HA -0.088 4.262 4.350 0.000 0.000 0.190 5115 E C 2.310 178.949 176.600 0.065 0.000 0.982 5115 E CA 1.234 57.676 56.400 0.070 0.000 0.803 5115 E CB -0.488 29.240 29.700 0.047 0.000 0.755 5115 E HN 0.519 nan 8.360 nan 0.000 0.453 5116 S N -0.114 115.620 115.700 0.058 0.000 2.387 5116 S HA -0.083 4.387 4.470 0.000 0.000 0.226 5116 S C 1.998 176.633 174.600 0.059 0.000 1.026 5116 S CA 1.432 59.661 58.200 0.048 0.000 0.972 5116 S CB -0.106 63.115 63.200 0.036 0.000 0.814 5116 S HN 0.194 nan 8.310 nan 0.000 0.477 5117 T N 1.506 116.109 114.554 0.082 0.000 2.708 5117 T HA -0.094 4.256 4.350 0.000 0.000 0.266 5117 T C 1.750 176.533 174.700 0.137 0.000 1.037 5117 T CA 1.581 63.747 62.100 0.111 0.000 1.146 5117 T CB -0.372 68.581 68.868 0.140 0.000 0.865 5117 T HN 0.578 nan 8.240 nan 0.000 0.435 5118 E N 0.520 120.815 120.200 0.159 0.000 2.106 5118 E HA -0.113 4.237 4.350 0.000 0.000 0.192 5118 E C 2.215 178.854 176.600 0.064 0.000 0.984 5118 E CA 0.782 57.261 56.400 0.131 0.000 0.806 5118 E CB -0.184 29.600 29.700 0.139 0.000 0.750 5118 E HN 0.471 nan 8.360 nan 0.000 0.458 5119 M N 0.191 119.825 119.600 0.057 0.000 2.086 5119 M HA -0.196 4.284 4.480 0.000 0.000 0.261 5119 M C 1.791 178.106 176.300 0.025 0.000 1.067 5119 M CA 1.236 56.557 55.300 0.035 0.000 1.116 5119 M CB -0.004 32.615 32.600 0.033 0.000 1.348 5119 M HN 0.186 nan 8.290 nan 0.000 0.407 5120 L N 0.791 122.031 121.223 0.029 0.000 2.042 5120 L HA -0.173 4.167 4.340 0.000 0.000 0.210 5120 L C 2.239 179.112 176.870 0.006 0.000 1.076 5120 L CA 1.749 56.598 54.840 0.016 0.000 0.749 5120 L CB -1.070 41.002 42.059 0.020 0.000 0.893 5120 L HN 0.401 nan 8.230 nan 0.000 0.432 5121 L N -1.467 119.764 121.223 0.013 0.000 2.201 5121 L HA -0.153 4.187 4.340 0.000 0.000 0.212 5121 L C 2.480 179.336 176.870 -0.023 0.000 1.105 5121 L CA 0.745 55.577 54.840 -0.014 0.000 0.775 5121 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 5121 L HN 0.214 nan 8.230 nan 0.000 0.440 5122 R N -0.075 120.421 120.500 -0.006 0.000 2.236 5122 R HA 0.102 4.442 4.340 0.000 0.000 0.208 5122 R C 0.536 176.834 176.300 -0.003 0.000 1.036 5122 R CA 0.315 56.413 56.100 -0.003 0.000 1.001 5122 R CB -0.041 30.263 30.300 0.008 0.000 0.896 5122 R HN 0.254 nan 8.270 nan 0.000 0.464 5123 I N 2.581 123.150 120.570 -0.003 0.000 2.471 5123 I HA -0.047 4.123 4.170 0.000 0.000 0.286 5123 I C 0.409 176.521 176.117 -0.009 0.000 1.079 5123 I CA 0.051 61.349 61.300 -0.003 0.000 1.398 5123 I CB 0.990 38.988 38.000 -0.003 0.000 1.403 5123 I HN 0.135 nan 8.210 nan 0.000 0.530 5124 D N 3.000 123.398 120.400 -0.003 0.000 2.503 5124 D HA 0.127 4.767 4.640 0.000 0.000 0.218 5124 D C -0.286 176.021 176.300 0.011 0.000 1.183 5124 D CA -0.040 53.957 54.000 -0.005 0.000 0.827 5124 D CB 0.387 41.180 40.800 -0.012 0.000 1.034 5124 D HN 0.354 nan 8.370 nan 0.000 0.510 5125 D N 0.059 120.472 120.400 0.022 0.000 2.688 5125 D HA 0.248 4.888 4.640 0.000 0.000 0.210 5125 D C -1.711 174.620 176.300 0.051 0.000 1.333 5125 D CA -0.472 53.551 54.000 0.038 0.000 0.920 5125 D CB 1.932 42.746 40.800 0.025 0.000 1.554 5125 D HN -0.170 nan 8.370 nan 0.000 0.579 5126 V N 4.267 124.239 119.914 0.096 0.000 2.444 5126 V HA 0.556 4.676 4.120 0.000 0.000 0.294 5126 V C -0.122 176.058 176.094 0.143 0.000 1.022 5126 V CA -0.668 61.703 62.300 0.118 0.000 0.850 5126 V CB 1.479 33.380 31.823 0.130 0.000 0.992 5126 V HN 0.431 nan 8.190 nan 0.000 0.426 5127 I N 4.574 125.197 120.570 0.089 0.000 2.390 5127 I HA 0.772 4.942 4.170 0.000 0.000 0.283 5127 I C 0.292 176.448 176.117 0.066 0.000 1.016 5127 I CA -0.054 61.282 61.300 0.060 0.000 1.151 5127 I CB 1.632 39.651 38.000 0.031 0.000 1.293 5127 I HN 0.684 nan 8.210 nan 0.000 0.458 5128 A N 4.344 127.211 122.820 0.079 0.000 2.401 5128 A HA 0.949 5.269 4.320 0.000 0.000 0.310 5128 A C -0.061 177.554 177.584 0.052 0.000 1.075 5128 A CA -0.684 51.402 52.037 0.082 0.000 0.746 5128 A CB 1.244 20.327 19.000 0.138 0.000 1.277 5128 A HN 0.749 nan 8.150 nan 0.000 0.425 5129 A N 0.744 123.591 122.820 0.044 0.000 2.448 5129 A HA 0.428 4.748 4.320 0.000 0.000 0.239 5129 A C 0.844 178.448 177.584 0.032 0.000 1.080 5129 A CA 0.014 52.068 52.037 0.029 0.000 0.779 5129 A CB -0.016 19.000 19.000 0.026 0.000 1.026 5129 A HN 0.923 nan 8.150 nan 0.000 0.499 5130 E N 0.000 120.211 120.200 0.019 0.000 2.725 5130 E HA 0.000 4.350 4.350 0.000 0.000 0.291 5130 E CA 0.000 56.411 56.400 0.018 0.000 0.976 5130 E CB 0.000 29.705 29.700 0.008 0.000 0.812 5130 E HN 0.000 nan 8.360 nan 0.000 0.440