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 2d0o_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRYIAGIDIG NSSTEVALAT LDEAGALTIT HSALAETTGI KGTLRNVFGI DATA SEQUENCE QEALALVARG AGIAVSDISL IRINEATPVI GDVAMETITE TIITESTMIG DATA SEQUENCE HNPKTPGGAG LGTGITITPQ ELLTRPADAP YILVVSSAFD FADIASVINA DATA SEQUENCE SLRAGYQITG VILQRDDGVL VSNRLEKPLP IVDEVLYIDR IPLGMLAAIE DATA SEQUENCE VAVPGKVIET LSNPYGIATV FNLSPEETKN IVPMARALIG NRSAVVVKTP DATA SEQUENCE SGDVKARAIP AGNLELLAQG RSVRVDVAAG AEAIMKAVDG CGRLDNVTGE DATA SEQUENCE SGTNIGGMLE HVRQTMAELT NKPSSEIFIQ DLLAVDTSVP VSVTGGLAGE DATA SEQUENCE FSLEQAVGIA SMVKSDRLQM AMIAREIEQK LNIDVQIGGA EAEAAILGAL DATA SEQUENCE TTPGTTRPLA ILDLGAGSTD ASIINPKGDI IATHLAGAGD MVTMIIAREL DATA SEQUENCE GLEDRYLAEE IKKYPLAKVE SLFHLRHEDG SVQFFSTPLP PAVFARVCVV DATA SEQUENCE KADELVPLPG DLALEKVRAI RRSAKERVFV TNALRALRQV SPTGNIRDIP DATA SEQUENCE FVVLVGGSSL DFEVPQLVTD ALAHYRLVAG RGNIRGSEGP RNAVATGLIL DATA SEQUENCE SWHK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.223 176.300 -0.128 0.000 1.140 1 M CA 0.000 55.239 55.300 -0.102 0.000 0.988 1 M CB 0.000 32.517 32.600 -0.138 0.000 1.302 2 R N 2.619 123.036 120.500 -0.139 0.000 2.854 2 R HA 0.646 4.985 4.340 -0.001 0.000 0.271 2 R C -1.847 174.326 176.300 -0.211 0.000 0.994 2 R CA -0.720 55.309 56.100 -0.118 0.000 0.945 2 R CB 2.257 32.557 30.300 -0.000 0.000 1.194 2 R HN 0.577 nan 8.270 nan 0.000 0.476 3 Y N 1.511 121.810 120.300 -0.000 0.000 2.323 3 Y HA 0.395 4.945 4.550 -0.001 0.000 0.331 3 Y C 0.284 176.145 175.900 -0.065 0.000 1.092 3 Y CA -0.493 57.595 58.100 -0.020 0.000 1.150 3 Y CB 1.102 39.547 38.460 -0.025 0.000 1.200 3 Y HN 0.172 nan 8.280 nan 0.000 0.472 4 I N 2.633 123.246 120.570 0.073 0.000 2.545 4 I HA 0.637 4.806 4.170 -0.001 0.000 0.292 4 I C -0.379 175.694 176.117 -0.073 0.000 1.040 4 I CA -1.129 60.105 61.300 -0.109 0.000 1.068 4 I CB 1.481 39.298 38.000 -0.305 0.000 1.251 4 I HN 0.645 nan 8.210 nan 0.000 0.424 5 A N 3.750 126.498 122.820 -0.119 0.000 2.365 5 A HA 0.880 5.200 4.320 -0.001 0.000 0.318 5 A C -0.095 177.424 177.584 -0.109 0.000 1.091 5 A CA -0.536 51.452 52.037 -0.082 0.000 0.763 5 A CB 1.643 20.604 19.000 -0.065 0.000 1.248 5 A HN 0.848 nan 8.150 nan 0.000 0.442 6 G N 1.122 109.883 108.800 -0.065 0.000 2.415 6 G HA2 0.573 4.533 3.960 -0.001 0.000 0.327 6 G HA3 0.573 4.533 3.960 -0.001 0.000 0.327 6 G C -0.802 174.081 174.900 -0.028 0.000 1.182 6 G CA -0.346 44.723 45.100 -0.052 0.000 0.924 6 G HN 0.500 nan 8.290 nan 0.000 0.470 7 I N 2.119 122.675 120.570 -0.025 0.000 2.406 7 I HA 0.281 4.450 4.170 -0.001 0.000 0.290 7 I C -1.218 174.898 176.117 -0.001 0.000 0.999 7 I CA -0.756 60.536 61.300 -0.014 0.000 1.124 7 I CB 1.961 39.948 38.000 -0.021 0.000 1.289 7 I HN 0.490 nan 8.210 nan 0.000 0.441 8 D N 7.700 128.104 120.400 0.007 0.000 2.461 8 D HA 0.384 5.024 4.640 -0.001 0.000 0.240 8 D C -0.513 175.797 176.300 0.017 0.000 1.094 8 D CA -0.284 53.725 54.000 0.015 0.000 0.868 8 D CB 0.639 41.450 40.800 0.019 0.000 1.062 8 D HN 0.317 nan 8.370 nan 0.000 0.530 9 I N 3.519 124.099 120.570 0.017 0.000 2.322 9 I HA 0.441 4.611 4.170 -0.001 0.000 0.292 9 I C 1.246 177.378 176.117 0.026 0.000 1.060 9 I CA -0.354 60.959 61.300 0.020 0.000 1.309 9 I CB 1.242 39.251 38.000 0.016 0.000 1.415 9 I HN 0.369 nan 8.210 nan 0.000 0.492 10 G N 3.905 112.722 108.800 0.029 0.000 2.820 10 G HA2 0.224 4.184 3.960 -0.001 0.000 0.291 10 G HA3 0.224 4.184 3.960 -0.001 0.000 0.291 10 G C 0.246 175.166 174.900 0.033 0.000 1.323 10 G CA -0.596 44.524 45.100 0.033 0.000 1.055 10 G HN 0.627 nan 8.290 nan 0.000 0.520 11 N N -1.008 117.713 118.700 0.035 0.000 2.331 11 N HA -0.059 4.681 4.740 -0.001 0.000 0.180 11 N C 1.956 177.487 175.510 0.035 0.000 1.019 11 N CA 1.403 54.473 53.050 0.034 0.000 0.881 11 N CB 0.257 38.764 38.487 0.033 0.000 0.972 11 N HN 0.353 nan 8.380 nan 0.000 0.435 12 S N -0.708 115.014 115.700 0.036 0.000 2.731 12 S HA 0.150 4.620 4.470 -0.001 0.000 0.244 12 S C 0.296 174.919 174.600 0.039 0.000 1.084 12 S CA -0.223 58.000 58.200 0.037 0.000 0.877 12 S CB 0.001 63.222 63.200 0.035 0.000 0.798 12 S HN 0.243 nan 8.310 nan 0.000 0.496 13 S N 0.572 116.294 115.700 0.036 0.000 2.536 13 S HA 0.705 5.174 4.470 -0.001 0.000 0.298 13 S C -0.912 173.708 174.600 0.032 0.000 1.083 13 S CA -0.543 57.678 58.200 0.035 0.000 0.995 13 S CB 1.693 64.911 63.200 0.031 0.000 1.058 13 S HN 0.144 nan 8.310 nan 0.000 0.488 14 T N 2.717 117.291 114.554 0.032 0.000 2.788 14 T HA 0.430 4.779 4.350 -0.001 0.000 0.296 14 T C -0.677 174.036 174.700 0.022 0.000 1.009 14 T CA -0.477 61.639 62.100 0.027 0.000 0.949 14 T CB 0.569 69.455 68.868 0.029 0.000 0.946 14 T HN 0.699 nan 8.240 nan 0.000 0.453 15 E N 1.541 121.753 120.200 0.019 0.000 2.207 15 E HA 0.708 5.058 4.350 -0.001 0.000 0.270 15 E C -1.029 175.577 176.600 0.011 0.000 0.927 15 E CA -0.932 55.478 56.400 0.017 0.000 0.799 15 E CB 2.663 32.374 29.700 0.018 0.000 1.172 15 E HN 0.277 nan 8.360 nan 0.000 0.404 16 V N 0.849 120.770 119.914 0.011 0.000 2.876 16 V HA 0.807 4.927 4.120 -0.001 0.000 0.312 16 V C -1.570 174.532 176.094 0.014 0.000 1.085 16 V CA -0.442 61.861 62.300 0.005 0.000 0.945 16 V CB 1.795 33.616 31.823 -0.004 0.000 1.017 16 V HN 0.794 nan 8.190 nan 0.000 0.428 17 A N 5.362 128.189 122.820 0.012 0.000 2.386 17 A HA 0.895 5.215 4.320 -0.001 0.000 0.311 17 A C -1.521 176.080 177.584 0.028 0.000 1.068 17 A CA -0.593 51.459 52.037 0.027 0.000 0.743 17 A CB 1.650 20.664 19.000 0.024 0.000 1.258 17 A HN 1.156 nan 8.150 nan 0.000 0.429 18 L N 1.772 123.033 121.223 0.063 0.000 2.346 18 L HA 0.884 5.223 4.340 -0.001 0.000 0.276 18 L C -0.003 176.945 176.870 0.130 0.000 1.006 18 L CA 0.062 54.952 54.840 0.083 0.000 0.817 18 L CB 1.586 43.692 42.059 0.078 0.000 1.272 18 L HN 1.070 nan 8.230 nan 0.000 0.421 19 A N 1.957 124.858 122.820 0.136 0.000 2.469 19 A HA 0.841 5.161 4.320 -0.001 0.000 0.299 19 A C -0.658 177.014 177.584 0.147 0.000 1.098 19 A CA -0.118 51.993 52.037 0.124 0.000 0.737 19 A CB 1.565 20.606 19.000 0.068 0.000 1.312 19 A HN 0.731 nan 8.150 nan 0.000 0.414 20 T N -0.535 114.062 114.554 0.071 0.000 2.895 20 T HA 0.677 5.027 4.350 -0.001 0.000 0.283 20 T C -0.593 174.104 174.700 -0.004 0.000 1.014 20 T CA -0.586 61.480 62.100 -0.058 0.000 1.037 20 T CB 1.099 69.891 68.868 -0.126 0.000 1.006 20 T HN 0.699 nan 8.240 nan 0.000 0.468 21 L N 3.461 124.679 121.223 -0.009 0.000 2.372 21 L HA 0.424 4.763 4.340 -0.001 0.000 0.274 21 L C -0.677 176.209 176.870 0.026 0.000 0.988 21 L CA -0.821 54.067 54.840 0.079 0.000 0.833 21 L CB 1.393 43.573 42.059 0.201 0.000 1.236 21 L HN 0.939 nan 8.230 nan 0.000 0.410 22 D N 3.563 123.979 120.400 0.027 0.000 2.423 22 D HA 0.054 4.693 4.640 -0.001 0.000 0.255 22 D C 0.961 177.272 176.300 0.019 0.000 1.174 22 D CA -0.382 53.620 54.000 0.004 0.000 1.008 22 D CB 0.705 41.505 40.800 0.001 0.000 1.101 22 D HN 0.527 nan 8.370 nan 0.000 0.516 23 E N 0.523 120.727 120.200 0.007 0.000 2.097 23 E HA -0.284 4.065 4.350 -0.001 0.000 0.196 23 E C 1.892 178.500 176.600 0.013 0.000 1.000 23 E CA 1.771 58.176 56.400 0.009 0.000 0.804 23 E CB -1.138 28.564 29.700 0.003 0.000 0.740 23 E HN 0.567 nan 8.360 nan 0.000 0.454 24 A N 0.855 123.683 122.820 0.014 0.000 1.877 24 A HA 0.099 4.419 4.320 -0.001 0.000 0.216 24 A C 2.149 179.744 177.584 0.019 0.000 1.186 24 A CA 2.783 54.828 52.037 0.013 0.000 0.620 24 A CB -0.583 18.426 19.000 0.014 0.000 0.822 24 A HN 0.616 nan 8.150 nan 0.000 0.443 25 G N -3.379 105.448 108.800 0.044 0.000 2.321 25 G HA2 0.316 4.276 3.960 -0.001 0.000 0.174 25 G HA3 0.316 4.276 3.960 -0.001 0.000 0.174 25 G C 0.213 175.210 174.900 0.162 0.000 1.008 25 G CA 0.097 45.239 45.100 0.070 0.000 0.739 25 G HN 1.395 nan 8.290 nan 0.000 0.502 26 A N 1.324 124.210 122.820 0.110 0.000 2.409 26 A HA 0.670 4.989 4.320 -0.001 0.000 0.262 26 A C 0.309 177.933 177.584 0.066 0.000 1.113 26 A CA -0.098 51.992 52.037 0.088 0.000 0.790 26 A CB 0.693 19.716 19.000 0.038 0.000 1.046 26 A HN 1.020 nan 8.150 nan 0.000 0.496 27 L N 3.029 124.225 121.223 -0.045 0.000 2.295 27 L HA 0.661 5.001 4.340 -0.001 0.000 0.285 27 L C -0.781 176.041 176.870 -0.079 0.000 1.035 27 L CA 0.244 55.017 54.840 -0.112 0.000 0.806 27 L CB 1.434 43.208 42.059 -0.475 0.000 1.214 27 L HN 0.698 nan 8.230 nan 0.000 0.426 28 T N 6.415 120.955 114.554 -0.024 0.000 3.066 28 T HA 0.452 4.802 4.350 -0.001 0.000 0.318 28 T C -0.007 174.701 174.700 0.014 0.000 0.979 28 T CA -0.265 61.828 62.100 -0.012 0.000 1.025 28 T CB 0.826 69.692 68.868 -0.003 0.000 1.002 28 T HN 0.411 nan 8.240 nan 0.000 0.453 29 I N 3.523 124.096 120.570 0.004 0.000 2.396 29 I HA 0.213 4.383 4.170 -0.001 0.000 0.289 29 I C 1.670 177.789 176.117 0.004 0.000 1.056 29 I CA -0.127 61.186 61.300 0.022 0.000 1.365 29 I CB 1.197 39.204 38.000 0.011 0.000 1.407 29 I HN 0.757 nan 8.210 nan 0.000 0.509 30 T N 0.700 115.273 114.554 0.031 0.000 2.964 30 T HA 0.237 4.586 4.350 -0.001 0.000 0.249 30 T C 0.382 174.873 174.700 -0.348 0.000 1.000 30 T CA 0.068 62.112 62.100 -0.093 0.000 0.992 30 T CB 0.119 69.017 68.868 0.049 0.000 1.087 30 T HN 0.551 nan 8.240 nan 0.000 0.489 31 H N 0.752 119.837 119.070 0.026 0.000 2.980 31 H HA 0.749 5.305 4.556 -0.001 0.000 0.367 31 H C -0.883 174.447 175.328 0.004 0.000 1.206 31 H CA -0.460 55.595 56.048 0.011 0.000 1.126 31 H CB 2.259 32.022 29.762 0.001 0.000 1.838 31 H HN 0.368 nan 8.280 nan 0.000 0.552 32 S N 0.553 116.328 115.700 0.126 0.000 2.638 32 S HA 0.977 5.446 4.470 -0.001 0.000 0.274 32 S C -1.168 173.467 174.600 0.058 0.000 1.157 32 S CA -0.420 57.821 58.200 0.069 0.000 0.826 32 S CB 2.456 65.678 63.200 0.038 0.000 1.139 32 S HN 1.042 nan 8.310 nan 0.000 0.474 33 A N 0.082 122.924 122.820 0.036 0.000 2.566 33 A HA 0.811 5.130 4.320 -0.001 0.000 0.290 33 A C -1.991 175.606 177.584 0.022 0.000 1.071 33 A CA -0.677 51.377 52.037 0.028 0.000 0.658 33 A CB 0.875 19.887 19.000 0.020 0.000 1.285 33 A HN 2.088 nan 8.150 nan 0.000 0.427 34 L N -2.523 118.714 121.223 0.023 0.000 2.469 34 L HA 1.078 5.418 4.340 -0.001 0.000 0.256 34 L C -0.405 176.481 176.870 0.027 0.000 1.006 34 L CA -0.386 54.468 54.840 0.024 0.000 0.832 34 L CB 1.375 43.449 42.059 0.025 0.000 1.421 34 L HN 1.944 nan 8.230 nan 0.000 0.410 35 A N 0.467 123.305 122.820 0.030 0.000 2.479 35 A HA 0.718 5.038 4.320 -0.001 0.000 0.296 35 A C -0.864 176.745 177.584 0.042 0.000 1.121 35 A CA -0.605 51.454 52.037 0.037 0.000 0.743 35 A CB 1.252 20.275 19.000 0.038 0.000 1.323 35 A HN 0.902 nan 8.150 nan 0.000 0.415 36 E N 0.657 120.886 120.200 0.047 0.000 2.376 36 E HA 0.238 4.587 4.350 -0.001 0.000 0.266 36 E C -0.377 176.256 176.600 0.055 0.000 1.009 36 E CA 0.060 56.491 56.400 0.052 0.000 0.902 36 E CB 0.383 30.117 29.700 0.056 0.000 0.972 36 E HN 0.556 nan 8.360 nan 0.000 0.439 37 T N 3.742 118.327 114.554 0.053 0.000 2.902 37 T HA 0.028 4.378 4.350 -0.001 0.000 0.301 37 T C -0.099 174.641 174.700 0.066 0.000 1.012 37 T CA 0.114 62.248 62.100 0.056 0.000 1.151 37 T CB 0.344 69.240 68.868 0.048 0.000 0.946 37 T HN 0.537 nan 8.240 nan 0.000 0.542 38 T N 1.053 115.658 114.554 0.085 0.000 2.744 38 T HA 0.644 4.993 4.350 -0.001 0.000 0.291 38 T C 0.550 175.307 174.700 0.096 0.000 0.957 38 T CA -0.189 61.970 62.100 0.098 0.000 1.002 38 T CB 0.905 69.867 68.868 0.157 0.000 0.919 38 T HN 1.103 nan 8.240 nan 0.000 0.468 39 G N 3.053 111.897 108.800 0.073 0.000 2.756 39 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.678 39 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.678 39 G C -0.387 174.545 174.900 0.052 0.000 1.349 39 G CA -0.754 44.384 45.100 0.065 0.000 0.847 39 G HN 1.029 nan 8.290 nan 0.000 0.548 40 I N 0.694 121.290 120.570 0.043 0.000 2.752 40 I HA 0.100 4.269 4.170 -0.001 0.000 0.287 40 I C 1.378 177.512 176.117 0.029 0.000 1.188 40 I CA 0.109 61.429 61.300 0.033 0.000 1.427 40 I CB 0.712 38.727 38.000 0.024 0.000 1.365 40 I HN 0.620 nan 8.210 nan 0.000 0.585 41 K N 4.650 125.065 120.400 0.025 0.000 2.472 41 K HA 0.120 4.440 4.320 -0.001 0.000 0.280 41 K C 0.790 177.397 176.600 0.012 0.000 1.028 41 K CA 0.928 57.227 56.287 0.020 0.000 1.045 41 K CB 0.172 32.683 32.500 0.018 0.000 0.902 41 K HN 0.945 nan 8.250 nan 0.000 0.478 42 G N 2.478 111.285 108.800 0.011 0.000 2.134 42 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.209 42 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.209 42 G C -0.081 174.822 174.900 0.005 0.000 0.993 42 G CA 0.228 45.330 45.100 0.004 0.000 0.669 42 G HN 0.839 nan 8.290 nan 0.000 0.519 43 T N -2.140 112.422 114.554 0.013 0.000 2.940 43 T HA 0.709 5.058 4.350 -0.001 0.000 0.288 43 T C 1.539 176.250 174.700 0.019 0.000 1.033 43 T CA -0.382 61.728 62.100 0.017 0.000 1.033 43 T CB 1.969 70.854 68.868 0.029 0.000 1.079 43 T HN 0.158 nan 8.240 nan 0.000 0.496 44 L N 0.207 121.440 121.223 0.015 0.000 2.129 44 L HA -0.084 4.256 4.340 -0.001 0.000 0.212 44 L C 3.014 179.896 176.870 0.020 0.000 1.087 44 L CA 1.357 56.198 54.840 0.002 0.000 0.757 44 L CB -0.439 41.621 42.059 0.002 0.000 0.896 44 L HN 0.760 nan 8.230 nan 0.000 0.434 45 R N 0.600 121.154 120.500 0.089 0.000 2.193 45 R HA -0.158 4.181 4.340 -0.001 0.000 0.229 45 R C 1.773 178.188 176.300 0.192 0.000 1.110 45 R CA 1.274 57.501 56.100 0.211 0.000 0.988 45 R CB -0.276 30.139 30.300 0.192 0.000 0.871 45 R HN 0.494 nan 8.270 nan 0.000 0.458 46 N N -0.243 118.506 118.700 0.083 0.000 2.258 46 N HA -0.175 4.565 4.740 -0.001 0.000 0.187 46 N C 1.675 177.197 175.510 0.020 0.000 1.012 46 N CA 1.248 54.333 53.050 0.058 0.000 0.870 46 N CB -0.087 38.415 38.487 0.024 0.000 0.977 46 N HN 0.201 nan 8.380 nan 0.000 0.434 47 V N -1.655 118.213 119.914 -0.078 0.000 2.490 47 V HA -0.198 3.922 4.120 -0.001 0.000 0.250 47 V C 1.644 177.610 176.094 -0.213 0.000 1.061 47 V CA 1.452 63.634 62.300 -0.197 0.000 1.064 47 V CB -1.073 30.546 31.823 -0.341 0.000 0.670 47 V HN 0.115 nan 8.190 nan 0.000 0.461 48 F N 2.440 122.390 119.950 -0.000 0.000 2.113 48 F HA 0.160 4.686 4.527 -0.001 0.000 0.297 48 F C 2.759 178.559 175.800 0.001 0.000 1.103 48 F CA 1.768 59.768 58.000 -0.000 0.000 1.248 48 F CB -1.189 37.812 39.000 0.002 0.000 0.999 48 F HN 0.273 nan 8.300 nan 0.000 0.475 49 G N 0.372 109.286 108.800 0.190 0.000 2.422 49 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 49 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 49 G C 1.719 176.653 174.900 0.056 0.000 1.146 49 G CA 0.996 46.159 45.100 0.105 0.000 0.769 49 G HN 0.337 nan 8.290 nan 0.000 0.547 50 I N 0.181 120.768 120.570 0.028 0.000 2.179 50 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 50 I C 3.025 179.137 176.117 -0.009 0.000 1.088 50 I CA 1.305 62.604 61.300 -0.002 0.000 1.357 50 I CB -0.291 37.692 38.000 -0.028 0.000 1.051 50 I HN 0.228 nan 8.210 nan 0.000 0.409 51 Q N 0.134 119.926 119.800 -0.014 0.000 2.124 51 Q HA -0.273 4.066 4.340 -0.001 0.000 0.202 51 Q C 2.088 178.093 176.000 0.009 0.000 0.977 51 Q CA 1.673 57.468 55.803 -0.014 0.000 0.850 51 Q CB -0.114 28.612 28.738 -0.021 0.000 0.901 51 Q HN 0.387 nan 8.270 nan 0.000 0.429 52 E N 0.873 121.095 120.200 0.036 0.000 2.072 52 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 52 E C 1.775 178.384 176.600 0.016 0.000 0.985 52 E CA 1.433 57.854 56.400 0.035 0.000 0.801 52 E CB -0.236 29.497 29.700 0.054 0.000 0.750 52 E HN 0.310 nan 8.360 nan 0.000 0.452 53 A N 0.532 123.361 122.820 0.014 0.000 1.902 53 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 53 A C 2.339 179.916 177.584 -0.011 0.000 1.181 53 A CA 1.499 53.539 52.037 0.005 0.000 0.623 53 A CB -0.794 18.210 19.000 0.008 0.000 0.818 53 A HN 0.354 nan 8.150 nan 0.000 0.443 54 L N -0.831 120.380 121.223 -0.020 0.000 2.046 54 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 54 L C 3.088 179.929 176.870 -0.048 0.000 1.077 54 L CA 1.044 55.861 54.840 -0.039 0.000 0.747 54 L CB -0.478 41.555 42.059 -0.044 0.000 0.896 54 L HN 0.437 nan 8.230 nan 0.000 0.432 55 A N -0.073 122.727 122.820 -0.033 0.000 1.933 55 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 55 A C 2.247 179.807 177.584 -0.040 0.000 1.175 55 A CA 1.377 53.392 52.037 -0.036 0.000 0.628 55 A CB -0.615 18.375 19.000 -0.016 0.000 0.814 55 A HN 0.349 nan 8.150 nan 0.000 0.444 56 L N -1.163 120.044 121.223 -0.026 0.000 2.027 56 L HA -0.120 4.220 4.340 -0.001 0.000 0.206 56 L C 2.534 179.380 176.870 -0.040 0.000 1.074 56 L CA 1.240 56.067 54.840 -0.022 0.000 0.745 56 L CB -0.507 41.550 42.059 -0.003 0.000 0.898 56 L HN 0.308 nan 8.230 nan 0.000 0.433 57 V N -0.202 119.685 119.914 -0.045 0.000 2.548 57 V HA -0.209 3.911 4.120 -0.001 0.000 0.249 57 V C 2.584 178.589 176.094 -0.147 0.000 1.055 57 V CA 1.667 63.929 62.300 -0.062 0.000 1.065 57 V CB 0.017 31.819 31.823 -0.035 0.000 0.681 57 V HN 0.427 nan 8.190 nan 0.000 0.462 58 A N 0.057 122.790 122.820 -0.145 0.000 1.877 58 A HA -0.252 4.068 4.320 -0.001 0.000 0.216 58 A C 2.384 179.856 177.584 -0.186 0.000 1.186 58 A CA 2.038 53.956 52.037 -0.198 0.000 0.620 58 A CB -0.681 18.225 19.000 -0.156 0.000 0.822 58 A HN 0.557 nan 8.150 nan 0.000 0.443 59 R N -0.626 119.800 120.500 -0.123 0.000 2.096 59 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 59 R C 2.219 178.455 176.300 -0.107 0.000 1.127 59 R CA 1.502 57.545 56.100 -0.095 0.000 0.968 59 R CB -0.634 29.632 30.300 -0.056 0.000 0.861 59 R HN 0.473 nan 8.270 nan 0.000 0.440 60 G N -0.415 108.316 108.800 -0.115 0.000 2.422 60 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 60 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 60 G C 1.239 175.990 174.900 -0.248 0.000 1.146 60 G CA 0.646 45.687 45.100 -0.098 0.000 0.769 60 G HN 0.452 nan 8.290 nan 0.000 0.547 61 A N -0.301 122.219 122.820 -0.500 0.000 2.275 61 A HA 0.492 4.812 4.320 -0.001 0.000 0.212 61 A C 1.898 179.293 177.584 -0.315 0.000 1.201 61 A CA 1.135 52.715 52.037 -0.761 0.000 0.843 61 A CB -0.417 18.018 19.000 -0.940 0.000 0.873 61 A HN 1.545 nan 8.150 nan 0.000 0.492 62 G N 0.083 108.760 108.800 -0.205 0.000 2.198 62 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.260 62 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.260 62 G C 0.169 174.993 174.900 -0.127 0.000 1.025 62 G CA 0.753 45.782 45.100 -0.119 0.000 0.769 62 G HN 1.429 nan 8.290 nan 0.000 0.507 63 I N -3.455 116.999 120.570 -0.195 0.000 3.108 63 I HA 0.944 5.113 4.170 -0.001 0.000 0.312 63 I C 0.304 176.322 176.117 -0.166 0.000 1.095 63 I CA -1.267 59.913 61.300 -0.199 0.000 1.000 63 I CB 2.006 39.775 38.000 -0.384 0.000 1.229 63 I HN 0.405 nan 8.210 nan 0.000 0.454 64 A N 2.306 125.049 122.820 -0.129 0.000 2.302 64 A HA 0.523 4.843 4.320 -0.001 0.000 0.285 64 A C 0.946 178.459 177.584 -0.118 0.000 1.105 64 A CA -0.538 51.440 52.037 -0.098 0.000 0.816 64 A CB 1.148 20.113 19.000 -0.058 0.000 1.067 64 A HN 0.715 nan 8.150 nan 0.000 0.489 65 V N 1.804 121.662 119.914 -0.093 0.000 2.332 65 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 65 V C 2.678 178.730 176.094 -0.069 0.000 1.055 65 V CA 2.777 65.024 62.300 -0.089 0.000 1.038 65 V CB -0.997 30.788 31.823 -0.064 0.000 0.651 65 V HN 1.082 nan 8.190 nan 0.000 0.450 66 S N -0.472 115.199 115.700 -0.049 0.000 2.500 66 S HA -0.184 4.286 4.470 -0.001 0.000 0.239 66 S C 1.367 175.960 174.600 -0.012 0.000 0.989 66 S CA 1.213 59.397 58.200 -0.027 0.000 0.951 66 S CB -0.471 62.718 63.200 -0.019 0.000 0.759 66 S HN 0.591 nan 8.310 nan 0.000 0.523 67 D N 1.400 121.784 120.400 -0.026 0.000 2.348 67 D HA 0.178 4.818 4.640 -0.001 0.000 0.216 67 D C 0.416 176.766 176.300 0.084 0.000 0.970 67 D CA 0.328 54.344 54.000 0.027 0.000 0.889 67 D CB -0.145 40.642 40.800 -0.022 0.000 0.912 67 D HN 0.500 nan 8.370 nan 0.000 0.524 68 I N 1.276 121.852 120.570 0.009 0.000 2.416 68 I HA -0.028 4.142 4.170 -0.001 0.000 0.288 68 I C 1.539 177.674 176.117 0.030 0.000 1.051 68 I CA -0.120 61.202 61.300 0.036 0.000 1.375 68 I CB 1.483 39.463 38.000 -0.033 0.000 1.407 68 I HN -0.157 nan 8.210 nan 0.000 0.516 69 S N 6.295 122.021 115.700 0.043 0.000 2.492 69 S HA 0.198 4.668 4.470 -0.001 0.000 0.218 69 S C 0.072 174.659 174.600 -0.022 0.000 1.016 69 S CA -0.161 58.049 58.200 0.017 0.000 0.916 69 S CB 0.254 63.474 63.200 0.033 0.000 0.791 69 S HN 0.494 nan 8.310 nan 0.000 0.513 70 L N 0.453 121.636 121.223 -0.067 0.000 2.482 70 L HA 0.660 4.999 4.340 -0.001 0.000 0.263 70 L C -1.997 174.774 176.870 -0.165 0.000 0.957 70 L CA -0.758 54.007 54.840 -0.125 0.000 0.836 70 L CB 1.949 43.889 42.059 -0.198 0.000 1.324 70 L HN 0.197 nan 8.230 nan 0.000 0.406 71 I N 4.538 125.023 120.570 -0.141 0.000 2.436 71 I HA 0.544 4.714 4.170 -0.001 0.000 0.289 71 I C -0.376 175.655 176.117 -0.143 0.000 1.010 71 I CA -0.762 60.457 61.300 -0.135 0.000 1.098 71 I CB 1.631 39.580 38.000 -0.085 0.000 1.266 71 I HN 0.460 nan 8.210 nan 0.000 0.434 72 R N 6.768 127.171 120.500 -0.162 0.000 2.310 72 R HA 0.587 4.926 4.340 -0.001 0.000 0.324 72 R C -0.828 175.437 176.300 -0.058 0.000 0.955 72 R CA -0.690 55.339 56.100 -0.118 0.000 0.830 72 R CB 1.644 31.845 30.300 -0.165 0.000 1.154 72 R HN 0.585 nan 8.270 nan 0.000 0.458 73 I N 2.397 122.949 120.570 -0.031 0.000 2.385 73 I HA 0.140 4.309 4.170 -0.001 0.000 0.294 73 I C 1.043 177.163 176.117 0.005 0.000 0.988 73 I CA -0.482 60.810 61.300 -0.014 0.000 1.265 73 I CB 1.254 39.246 38.000 -0.014 0.000 1.388 73 I HN 0.393 nan 8.210 nan 0.000 0.480 74 N N 3.939 122.647 118.700 0.012 0.000 2.482 74 N HA -0.046 4.694 4.740 -0.001 0.000 0.260 74 N C -0.100 175.424 175.510 0.024 0.000 1.236 74 N CA -0.355 52.710 53.050 0.025 0.000 0.938 74 N CB 0.831 39.335 38.487 0.029 0.000 1.128 74 N HN 0.505 nan 8.380 nan 0.000 0.448 75 E N 2.171 122.389 120.200 0.031 0.000 1.795 75 E HA 0.171 4.521 4.350 -0.001 0.000 0.261 75 E C -0.634 175.983 176.600 0.028 0.000 1.238 75 E CA -0.364 56.053 56.400 0.027 0.000 1.001 75 E CB -0.409 29.310 29.700 0.032 0.000 1.065 75 E HN 0.505 nan 8.360 nan 0.000 0.418 76 A N 4.161 126.994 122.820 0.022 0.000 2.546 76 A HA 0.078 4.398 4.320 -0.001 0.000 0.243 76 A C 0.437 178.033 177.584 0.020 0.000 1.063 76 A CA 0.071 52.123 52.037 0.024 0.000 0.757 76 A CB -0.045 18.965 19.000 0.017 0.000 0.991 76 A HN 0.604 nan 8.150 nan 0.000 0.503 77 T N 5.515 120.089 114.554 0.032 0.000 2.905 77 T HA 0.245 4.594 4.350 -0.001 0.000 0.299 77 T C -1.959 172.719 174.700 -0.036 0.000 1.024 77 T CA 0.127 62.236 62.100 0.015 0.000 1.151 77 T CB 0.194 69.099 68.868 0.062 0.000 0.987 77 T HN 0.561 nan 8.240 nan 0.000 0.535 78 P HA 0.280 nan 4.420 nan 0.000 0.226 78 P C -0.960 176.274 177.300 -0.111 0.000 1.783 78 P CA -0.059 62.999 63.100 -0.070 0.000 0.980 78 P CB -0.186 31.481 31.700 -0.055 0.000 1.967 79 V N 3.661 123.511 119.914 -0.107 0.000 2.612 79 V HA 0.433 4.553 4.120 -0.001 0.000 0.301 79 V C 0.354 176.420 176.094 -0.047 0.000 1.059 79 V CA -0.766 61.463 62.300 -0.118 0.000 0.886 79 V CB 2.380 34.071 31.823 -0.221 0.000 1.007 79 V HN 0.222 nan 8.190 nan 0.000 0.426 80 I N 1.618 122.170 120.570 -0.031 0.000 3.002 80 I HA 1.093 5.263 4.170 -0.001 0.000 0.310 80 I C 0.141 176.261 176.117 0.004 0.000 1.087 80 I CA -0.654 60.643 61.300 -0.006 0.000 1.017 80 I CB 2.566 40.564 38.000 -0.004 0.000 1.226 80 I HN 0.651 nan 8.210 nan 0.000 0.443 81 G N 1.015 109.824 108.800 0.015 0.000 2.658 81 G HA2 0.635 4.594 3.960 -0.001 0.000 0.292 81 G HA3 0.635 4.594 3.960 -0.001 0.000 0.292 81 G C -2.183 172.729 174.900 0.020 0.000 1.320 81 G CA -0.221 44.889 45.100 0.016 0.000 0.933 81 G HN 0.758 nan 8.290 nan 0.000 0.476 82 D N -1.956 118.453 120.400 0.015 0.000 2.692 82 D HA 0.607 5.246 4.640 -0.001 0.000 0.290 82 D C -1.522 174.775 176.300 -0.004 0.000 1.281 82 D CA -0.205 53.803 54.000 0.014 0.000 0.804 82 D CB 2.282 43.109 40.800 0.044 0.000 1.331 82 D HN 0.676 nan 8.370 nan 0.000 0.432 83 V N 0.001 119.905 119.914 -0.017 0.000 3.120 83 V HA 0.956 5.075 4.120 -0.001 0.000 0.303 83 V C -1.590 174.486 176.094 -0.031 0.000 1.238 83 V CA 0.239 62.523 62.300 -0.027 0.000 1.008 83 V CB 1.552 33.352 31.823 -0.039 0.000 1.064 83 V HN 0.984 nan 8.190 nan 0.000 0.434 84 A N 5.788 128.591 122.820 -0.028 0.000 2.581 84 A HA 0.978 5.298 4.320 -0.001 0.000 0.290 84 A C -1.311 176.259 177.584 -0.023 0.000 1.119 84 A CA -0.428 51.593 52.037 -0.028 0.000 0.670 84 A CB 2.117 21.103 19.000 -0.023 0.000 1.280 84 A HN 1.443 nan 8.150 nan 0.000 0.425 85 M N 0.287 119.875 119.600 -0.021 0.000 2.470 85 M HA 0.666 5.146 4.480 -0.001 0.000 0.285 85 M C -1.834 174.459 176.300 -0.011 0.000 1.213 85 M CA -0.231 55.059 55.300 -0.016 0.000 0.901 85 M CB 2.269 34.858 32.600 -0.017 0.000 1.718 85 M HN 0.792 nan 8.290 nan 0.000 0.469 86 E N 1.176 121.372 120.200 -0.007 0.000 2.256 86 E HA 0.485 4.834 4.350 -0.001 0.000 0.268 86 E C -1.418 175.182 176.600 -0.001 0.000 0.877 86 E CA -0.316 56.082 56.400 -0.004 0.000 0.757 86 E CB 2.354 32.052 29.700 -0.003 0.000 1.183 86 E HN 0.622 nan 8.360 nan 0.000 0.418 87 T N 4.112 118.667 114.554 0.002 0.000 2.869 87 T HA 0.291 4.640 4.350 -0.001 0.000 0.295 87 T C 1.034 175.737 174.700 0.005 0.000 0.987 87 T CA -0.200 61.903 62.100 0.005 0.000 1.109 87 T CB 0.252 69.126 68.868 0.009 0.000 0.932 87 T HN 0.559 nan 8.240 nan 0.000 0.518 88 I N -0.296 120.277 120.570 0.006 0.000 4.240 88 I HA 0.326 4.495 4.170 -0.001 0.000 0.331 88 I C 0.464 176.584 176.117 0.005 0.000 1.381 88 I CA -0.604 60.699 61.300 0.004 0.000 1.136 88 I CB 0.477 38.479 38.000 0.003 0.000 1.137 88 I HN 0.586 nan 8.210 nan 0.000 0.411 89 T N -0.969 113.590 114.554 0.007 0.000 2.865 89 T HA 0.730 5.080 4.350 -0.001 0.000 0.294 89 T C -0.788 173.918 174.700 0.010 0.000 1.119 89 T CA -0.533 61.571 62.100 0.007 0.000 1.007 89 T CB 2.738 71.610 68.868 0.007 0.000 1.225 89 T HN 0.482 nan 8.240 nan 0.000 0.515 90 E N -0.330 119.875 120.200 0.008 0.000 2.413 90 E HA 0.627 4.977 4.350 -0.001 0.000 0.277 90 E C -1.656 174.949 176.600 0.008 0.000 0.958 90 E CA -1.065 55.341 56.400 0.011 0.000 0.779 90 E CB 1.975 31.680 29.700 0.008 0.000 1.278 90 E HN 0.555 nan 8.360 nan 0.000 0.456 91 T N 1.784 116.345 114.554 0.010 0.000 2.848 91 T HA 0.577 4.927 4.350 -0.001 0.000 0.285 91 T C -0.607 174.095 174.700 0.004 0.000 0.995 91 T CA -0.502 61.602 62.100 0.005 0.000 0.970 91 T CB 0.594 69.465 68.868 0.005 0.000 0.976 91 T HN 0.390 nan 8.240 nan 0.000 0.441 92 I N 3.229 123.797 120.570 -0.002 0.000 2.569 92 I HA 0.489 4.658 4.170 -0.001 0.000 0.290 92 I C -0.794 175.318 176.117 -0.009 0.000 1.088 92 I CA -0.884 60.413 61.300 -0.006 0.000 1.047 92 I CB 2.220 40.215 38.000 -0.008 0.000 1.237 92 I HN 0.462 nan 8.210 nan 0.000 0.421 93 I N 5.018 125.581 120.570 -0.012 0.000 2.339 93 I HA 0.322 4.492 4.170 -0.001 0.000 0.290 93 I C 0.270 176.374 176.117 -0.021 0.000 0.994 93 I CA -0.311 60.981 61.300 -0.014 0.000 1.191 93 I CB 1.812 39.805 38.000 -0.012 0.000 1.343 93 I HN 0.600 nan 8.210 nan 0.000 0.458 94 T N 1.270 115.811 114.554 -0.021 0.000 2.925 94 T HA 0.374 4.724 4.350 -0.001 0.000 0.285 94 T C 0.299 174.982 174.700 -0.027 0.000 1.021 94 T CA -0.537 61.547 62.100 -0.025 0.000 1.042 94 T CB 1.887 70.742 68.868 -0.023 0.000 1.037 94 T HN 0.715 nan 8.240 nan 0.000 0.481 95 E N 0.349 120.531 120.200 -0.030 0.000 2.971 95 E HA -0.231 4.119 4.350 -0.001 0.000 0.278 95 E C -0.113 176.470 176.600 -0.028 0.000 1.009 95 E CA 0.744 57.126 56.400 -0.030 0.000 0.862 95 E CB -1.896 27.785 29.700 -0.031 0.000 1.436 95 E HN 0.994 nan 8.360 nan 0.000 0.434 96 S N -1.220 114.463 115.700 -0.028 0.000 3.559 96 S HA -0.251 4.219 4.470 -0.001 0.000 0.369 96 S C 0.804 175.396 174.600 -0.013 0.000 0.987 96 S CA 1.227 59.414 58.200 -0.021 0.000 1.187 96 S CB -1.169 62.020 63.200 -0.018 0.000 0.914 96 S HN 0.516 nan 8.310 nan 0.000 0.480 97 T N -0.071 114.473 114.554 -0.016 0.000 3.129 97 T HA 0.426 4.775 4.350 -0.001 0.000 0.251 97 T C 0.279 174.982 174.700 0.004 0.000 1.117 97 T CA 0.428 62.517 62.100 -0.018 0.000 1.034 97 T CB -0.209 68.639 68.868 -0.032 0.000 0.968 97 T HN 0.572 nan 8.240 nan 0.000 0.526 98 M N 1.122 120.730 119.600 0.013 0.000 2.413 98 M HA 0.445 4.924 4.480 -0.001 0.000 0.287 98 M C -2.290 174.029 176.300 0.033 0.000 1.186 98 M CA -0.703 54.615 55.300 0.030 0.000 0.927 98 M CB 2.198 34.812 32.600 0.024 0.000 1.715 98 M HN -0.066 nan 8.290 nan 0.000 0.478 99 I N 2.351 122.953 120.570 0.053 0.000 2.466 99 I HA 0.577 4.747 4.170 -0.001 0.000 0.289 99 I C 0.450 176.635 176.117 0.113 0.000 1.026 99 I CA -0.467 60.874 61.300 0.067 0.000 1.078 99 I CB 2.295 40.337 38.000 0.071 0.000 1.249 99 I HN 0.936 nan 8.210 nan 0.000 0.429 100 G N 4.209 113.096 108.800 0.145 0.000 5.302 100 G HA2 0.042 4.002 3.960 -0.001 0.000 0.223 100 G HA3 0.042 4.002 3.960 -0.001 0.000 0.223 100 G C 0.562 175.552 174.900 0.150 0.000 0.832 100 G CA -0.271 44.904 45.100 0.124 0.000 0.714 100 G HN 0.783 nan 8.290 nan 0.000 0.444 101 H N -0.237 118.834 119.070 0.003 0.000 2.551 101 H HA 0.078 4.633 4.556 -0.001 0.000 0.266 101 H C 0.829 176.163 175.328 0.010 0.000 0.977 101 H CA -0.030 56.026 56.048 0.014 0.000 1.163 101 H CB -0.286 29.507 29.762 0.051 0.000 1.381 101 H HN 0.331 nan 8.280 nan 0.000 0.581 102 N N 1.969 120.506 118.700 -0.273 0.000 2.614 102 N HA -0.113 4.627 4.740 -0.001 0.000 0.276 102 N C -2.482 172.841 175.510 -0.312 0.000 1.119 102 N CA 0.448 53.341 53.050 -0.261 0.000 0.742 102 N CB -0.327 38.089 38.487 -0.118 0.000 0.900 102 N HN 0.392 nan 8.380 nan 0.000 0.549 103 P HA 0.084 nan 4.420 nan 0.000 0.274 103 P C 0.199 177.426 177.300 -0.123 0.000 1.237 103 P CA -0.280 62.660 63.100 -0.267 0.000 0.793 103 P CB 0.815 32.362 31.700 -0.255 0.000 0.977 104 K N 0.071 120.434 120.400 -0.061 0.000 2.243 104 K HA 0.031 4.351 4.320 -0.001 0.000 0.201 104 K C 0.882 177.465 176.600 -0.029 0.000 1.051 104 K CA 1.248 57.515 56.287 -0.034 0.000 0.970 104 K CB -0.468 32.025 32.500 -0.012 0.000 0.755 104 K HN 0.630 nan 8.250 nan 0.000 0.465 105 T N 0.703 115.240 114.554 -0.029 0.000 3.401 105 T HA 0.301 4.650 4.350 -0.001 0.000 0.341 105 T C -2.676 172.011 174.700 -0.022 0.000 1.674 105 T CA -1.884 60.202 62.100 -0.022 0.000 1.600 105 T CB 1.376 70.232 68.868 -0.019 0.000 0.974 105 T HN -0.142 nan 8.240 nan 0.000 0.672 106 P HA 0.426 nan 4.420 nan 0.000 0.276 106 P C 0.483 177.779 177.300 -0.007 0.000 1.252 106 P CA -0.032 63.058 63.100 -0.017 0.000 0.802 106 P CB 0.842 32.526 31.700 -0.027 0.000 1.035 107 G N -0.387 108.415 108.800 0.003 0.000 2.395 107 G HA2 0.497 4.456 3.960 -0.001 0.000 0.283 107 G HA3 0.497 4.456 3.960 -0.001 0.000 0.283 107 G C 0.451 175.355 174.900 0.008 0.000 1.178 107 G CA 0.155 45.259 45.100 0.007 0.000 0.837 107 G HN 0.807 nan 8.290 nan 0.000 0.518 108 G N 0.195 109.000 108.800 0.008 0.000 2.575 108 G HA2 0.383 4.343 3.960 -0.001 0.000 0.267 108 G HA3 0.383 4.343 3.960 -0.001 0.000 0.267 108 G C 0.217 175.119 174.900 0.005 0.000 1.264 108 G CA 0.486 45.592 45.100 0.009 0.000 0.935 108 G HN 2.393 nan 8.290 nan 0.000 0.568 109 A N -1.958 120.865 122.820 0.005 0.000 2.608 109 A HA 1.184 5.504 4.320 -0.001 0.000 0.292 109 A C 0.738 178.323 177.584 0.002 0.000 1.066 109 A CA 1.214 53.252 52.037 0.002 0.000 0.676 109 A CB 1.027 20.027 19.000 0.000 0.000 1.277 109 A HN 3.251 nan 8.150 nan 0.000 0.413 110 G N -1.394 107.405 108.800 -0.002 0.000 2.353 110 G HA2 0.514 4.473 3.960 -0.001 0.000 0.615 110 G HA3 0.514 4.473 3.960 -0.001 0.000 0.615 110 G C -1.710 173.186 174.900 -0.007 0.000 1.280 110 G CA -0.110 44.988 45.100 -0.004 0.000 1.000 110 G HN 2.137 nan 8.290 nan 0.000 0.516 111 L N 0.674 121.890 121.223 -0.012 0.000 2.341 111 L HA 0.905 5.244 4.340 -0.001 0.000 0.278 111 L C 0.459 177.318 176.870 -0.019 0.000 1.005 111 L CA 0.543 55.370 54.840 -0.021 0.000 0.818 111 L CB 1.695 43.733 42.059 -0.034 0.000 1.259 111 L HN 1.693 nan 8.230 nan 0.000 0.418 112 G N 2.079 110.869 108.800 -0.016 0.000 2.571 112 G HA2 0.693 4.652 3.960 -0.001 0.000 0.304 112 G HA3 0.693 4.652 3.960 -0.001 0.000 0.304 112 G C -1.408 173.484 174.900 -0.013 0.000 1.314 112 G CA -0.451 44.644 45.100 -0.009 0.000 0.975 112 G HN 0.556 nan 8.290 nan 0.000 0.485 113 T N -0.545 114.001 114.554 -0.013 0.000 2.893 113 T HA 0.891 5.241 4.350 -0.001 0.000 0.293 113 T C 0.077 174.789 174.700 0.021 0.000 1.027 113 T CA 0.042 62.141 62.100 -0.003 0.000 0.988 113 T CB 1.999 70.838 68.868 -0.049 0.000 1.043 113 T HN 1.574 nan 8.240 nan 0.000 0.461 114 G N 0.956 109.791 108.800 0.060 0.000 2.316 114 G HA2 0.460 4.420 3.960 -0.001 0.000 0.296 114 G HA3 0.460 4.420 3.960 -0.001 0.000 0.296 114 G C -1.728 173.228 174.900 0.094 0.000 1.399 114 G CA -0.982 44.142 45.100 0.040 0.000 0.833 114 G HN 0.778 nan 8.290 nan 0.000 0.565 115 I N 1.518 122.149 120.570 0.100 0.000 2.474 115 I HA 0.282 4.452 4.170 -0.001 0.000 0.287 115 I C 1.194 177.449 176.117 0.230 0.000 1.048 115 I CA -0.410 60.995 61.300 0.175 0.000 1.383 115 I CB 1.563 39.695 38.000 0.220 0.000 1.412 115 I HN 0.594 nan 8.210 nan 0.000 0.531 116 T N 5.985 120.624 114.554 0.142 0.000 2.814 116 T HA 0.599 4.948 4.350 -0.001 0.000 0.297 116 T C -0.345 174.394 174.700 0.064 0.000 0.956 116 T CA -0.531 61.626 62.100 0.096 0.000 1.123 116 T CB 0.342 69.246 68.868 0.059 0.000 0.902 116 T HN 0.517 nan 8.240 nan 0.000 0.528 117 I N -0.499 120.079 120.570 0.013 0.000 2.894 117 I HA 0.687 4.856 4.170 -0.001 0.000 0.302 117 I C -0.057 175.998 176.117 -0.103 0.000 1.188 117 I CA -1.304 59.954 61.300 -0.071 0.000 1.014 117 I CB 2.411 40.285 38.000 -0.211 0.000 1.242 117 I HN 0.686 nan 8.210 nan 0.000 0.430 118 T N -0.158 114.330 114.554 -0.111 0.000 2.874 118 T HA 0.459 4.809 4.350 -0.001 0.000 0.281 118 T C -1.701 172.884 174.700 -0.192 0.000 0.994 118 T CA -1.638 60.378 62.100 -0.139 0.000 1.015 118 T CB 1.089 69.915 68.868 -0.070 0.000 1.028 118 T HN 0.604 nan 8.240 nan 0.000 0.523 119 P HA -0.129 nan 4.420 nan 0.000 0.218 119 P C 1.256 178.477 177.300 -0.131 0.000 1.148 119 P CA 1.137 64.088 63.100 -0.248 0.000 0.822 119 P CB 0.086 31.551 31.700 -0.391 0.000 0.784 120 Q N 0.536 120.309 119.800 -0.045 0.000 2.135 120 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 120 Q C 2.123 178.078 176.000 -0.075 0.000 0.981 120 Q CA 1.573 57.368 55.803 -0.014 0.000 0.856 120 Q CB -0.811 27.945 28.738 0.030 0.000 0.902 120 Q HN 0.467 nan 8.270 nan 0.000 0.425 121 E N 0.018 120.147 120.200 -0.119 0.000 2.338 121 E HA -0.110 4.240 4.350 -0.001 0.000 0.197 121 E C 1.307 177.766 176.600 -0.235 0.000 1.007 121 E CA 0.352 56.659 56.400 -0.156 0.000 0.849 121 E CB -0.084 29.504 29.700 -0.186 0.000 0.774 121 E HN 0.374 nan 8.360 nan 0.000 0.506 122 L N 0.706 121.752 121.223 -0.296 0.000 2.633 122 L HA -0.090 4.250 4.340 -0.001 0.000 0.235 122 L C 1.815 178.486 176.870 -0.332 0.000 1.163 122 L CA 0.360 54.919 54.840 -0.468 0.000 0.859 122 L CB -0.043 41.736 42.059 -0.466 0.000 0.973 122 L HN 0.209 nan 8.230 nan 0.000 0.451 123 L N -1.496 119.639 121.223 -0.147 0.000 2.316 123 L HA -0.008 4.331 4.340 -0.001 0.000 0.207 123 L C 2.463 179.345 176.870 0.020 0.000 1.070 123 L CA 1.135 55.949 54.840 -0.043 0.000 0.820 123 L CB -0.247 41.796 42.059 -0.028 0.000 0.992 123 L HN 0.311 nan 8.230 nan 0.000 0.466 124 T N -3.184 111.369 114.554 -0.000 0.000 3.023 124 T HA 0.061 4.410 4.350 -0.001 0.000 0.249 124 T C 1.095 175.832 174.700 0.061 0.000 1.050 124 T CA -0.280 61.837 62.100 0.029 0.000 1.088 124 T CB 0.155 69.027 68.868 0.006 0.000 0.946 124 T HN -0.061 nan 8.240 nan 0.000 0.480 125 R N 3.348 123.876 120.500 0.047 0.000 2.539 125 R HA 0.394 4.734 4.340 -0.001 0.000 0.275 125 R C -2.494 173.970 176.300 0.272 0.000 1.077 125 R CA -1.921 54.232 56.100 0.089 0.000 1.097 125 R CB 0.309 30.540 30.300 -0.116 0.000 1.018 125 R HN 0.192 nan 8.270 nan 0.000 0.483 126 P HA 0.037 nan 4.420 nan 0.000 0.271 126 P C -0.893 176.531 177.300 0.206 0.000 1.216 126 P CA 0.027 63.235 63.100 0.180 0.000 0.776 126 P CB 1.249 33.023 31.700 0.123 0.000 0.881 127 A N 2.379 125.094 122.820 -0.175 0.000 2.359 127 A HA -0.007 4.313 4.320 -0.001 0.000 0.240 127 A C 1.260 178.734 177.584 -0.183 0.000 1.306 127 A CA 0.171 51.902 52.037 -0.510 0.000 0.898 127 A CB -0.889 17.490 19.000 -1.034 0.000 0.956 127 A HN 0.612 nan 8.150 nan 0.000 0.497 128 D N -0.414 119.947 120.400 -0.064 0.000 2.366 128 D HA 0.267 4.907 4.640 -0.001 0.000 0.205 128 D C 0.602 176.838 176.300 -0.108 0.000 1.022 128 D CA 0.863 54.820 54.000 -0.072 0.000 0.868 128 D CB 0.071 40.847 40.800 -0.040 0.000 0.953 128 D HN 0.277 nan 8.370 nan 0.000 0.514 129 A N 1.375 124.080 122.820 -0.192 0.000 2.365 129 A HA 0.608 4.928 4.320 -0.001 0.000 0.318 129 A C -2.738 174.436 177.584 -0.683 0.000 1.091 129 A CA -1.624 50.195 52.037 -0.365 0.000 0.763 129 A CB 1.612 20.410 19.000 -0.337 0.000 1.248 129 A HN -0.089 nan 8.150 nan 0.000 0.442 130 P HA 0.270 nan 4.420 nan 0.000 0.271 130 P C -1.386 175.648 177.300 -0.443 0.000 1.216 130 P CA 0.582 63.487 63.100 -0.326 0.000 0.776 130 P CB 0.213 31.831 31.700 -0.136 0.000 0.881 131 Y N 1.104 121.443 120.300 0.064 0.000 2.499 131 Y HA 0.516 5.066 4.550 -0.001 0.000 0.347 131 Y C 0.610 176.528 175.900 0.029 0.000 0.987 131 Y CA -1.110 57.019 58.100 0.048 0.000 1.044 131 Y CB 2.085 40.573 38.460 0.047 0.000 1.245 131 Y HN 0.123 nan 8.280 nan 0.000 0.461 132 I N 4.082 124.774 120.570 0.204 0.000 2.339 132 I HA 0.258 4.428 4.170 -0.001 0.000 0.290 132 I C -0.777 175.383 176.117 0.071 0.000 0.994 132 I CA -0.539 60.828 61.300 0.112 0.000 1.191 132 I CB 1.206 39.260 38.000 0.090 0.000 1.343 132 I HN 0.398 nan 8.210 nan 0.000 0.458 133 L N 7.076 128.312 121.223 0.022 0.000 2.319 133 L HA 0.330 4.670 4.340 -0.001 0.000 0.280 133 L C -0.445 176.390 176.870 -0.058 0.000 1.099 133 L CA -0.502 54.310 54.840 -0.047 0.000 0.828 133 L CB 1.312 43.319 42.059 -0.085 0.000 1.150 133 L HN 0.318 nan 8.230 nan 0.000 0.442 134 V N 5.379 125.245 119.914 -0.080 0.000 2.347 134 V HA 0.311 4.430 4.120 -0.001 0.000 0.280 134 V C -0.070 175.939 176.094 -0.141 0.000 1.021 134 V CA -0.525 61.733 62.300 -0.070 0.000 0.847 134 V CB 1.692 33.496 31.823 -0.032 0.000 0.990 134 V HN 0.399 nan 8.190 nan 0.000 0.444 135 V N 4.715 124.550 119.914 -0.132 0.000 2.376 135 V HA 0.434 4.554 4.120 -0.001 0.000 0.287 135 V C 0.425 176.504 176.094 -0.026 0.000 1.015 135 V CA -0.436 61.727 62.300 -0.228 0.000 0.834 135 V CB 1.821 33.501 31.823 -0.239 0.000 1.001 135 V HN 0.969 nan 8.190 nan 0.000 0.428 136 S N 3.270 119.036 115.700 0.109 0.000 2.634 136 S HA 0.189 4.659 4.470 -0.001 0.000 0.261 136 S C 1.498 176.254 174.600 0.260 0.000 1.271 136 S CA 0.164 58.481 58.200 0.195 0.000 0.985 136 S CB 1.207 64.541 63.200 0.223 0.000 0.968 136 S HN 1.022 nan 8.310 nan 0.000 0.568 137 S N 0.157 115.947 115.700 0.151 0.000 2.474 137 S HA -0.020 4.450 4.470 -0.001 0.000 0.235 137 S C 1.831 176.495 174.600 0.106 0.000 0.997 137 S CA 0.507 58.776 58.200 0.116 0.000 0.949 137 S CB -1.118 62.113 63.200 0.052 0.000 0.766 137 S HN 1.114 nan 8.310 nan 0.000 0.517 138 A N 0.572 123.446 122.820 0.089 0.000 2.178 138 A HA 0.241 4.561 4.320 -0.001 0.000 0.218 138 A C 0.425 177.841 177.584 -0.280 0.000 1.157 138 A CA 0.424 52.385 52.037 -0.127 0.000 0.689 138 A CB -0.645 18.201 19.000 -0.256 0.000 0.787 138 A HN 0.548 nan 8.150 nan 0.000 0.465 139 F N -0.367 119.587 119.950 0.006 0.000 2.420 139 F HA 0.403 4.929 4.527 -0.001 0.000 0.342 139 F C 0.230 176.044 175.800 0.023 0.000 1.113 139 F CA -1.162 56.840 58.000 0.003 0.000 1.059 139 F CB 1.026 40.026 39.000 0.000 0.000 1.128 139 F HN 0.045 nan 8.300 nan 0.000 0.475 140 D N 2.100 122.581 120.400 0.136 0.000 2.345 140 D HA 0.096 4.736 4.640 -0.001 0.000 0.247 140 D C 1.032 177.374 176.300 0.070 0.000 1.108 140 D CA -0.326 53.730 54.000 0.093 0.000 0.894 140 D CB 0.713 41.497 40.800 -0.028 0.000 1.203 140 D HN 0.380 nan 8.370 nan 0.000 0.430 141 F N 2.891 122.880 119.950 0.064 0.000 2.161 141 F HA -0.060 4.467 4.527 -0.001 0.000 0.300 141 F C 1.850 177.675 175.800 0.043 0.000 1.089 141 F CA 1.046 59.076 58.000 0.051 0.000 1.282 141 F CB -1.008 38.013 39.000 0.035 0.000 1.010 141 F HN 0.308 nan 8.300 nan 0.000 0.485 142 A N 0.351 122.429 122.820 -1.237 0.000 1.930 142 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 142 A C 2.024 179.423 177.584 -0.309 0.000 1.175 142 A CA 1.745 53.293 52.037 -0.814 0.000 0.627 142 A CB -1.203 17.277 19.000 -0.867 0.000 0.815 142 A HN 0.494 nan 8.150 nan 0.000 0.443 143 D N -0.067 120.201 120.400 -0.220 0.000 2.104 143 D HA -0.166 4.473 4.640 -0.001 0.000 0.194 143 D C 1.645 177.938 176.300 -0.012 0.000 0.994 143 D CA 1.571 55.531 54.000 -0.067 0.000 0.830 143 D CB -0.278 40.526 40.800 0.006 0.000 0.959 143 D HN 0.301 nan 8.370 nan 0.000 0.452 144 I N 0.410 120.987 120.570 0.013 0.000 2.439 144 I HA -0.031 4.139 4.170 -0.001 0.000 0.251 144 I C 2.118 178.229 176.117 -0.009 0.000 1.139 144 I CA 1.277 62.580 61.300 0.005 0.000 1.438 144 I CB -0.576 37.428 38.000 0.008 0.000 1.085 144 I HN 0.051 nan 8.210 nan 0.000 0.427 145 A N -1.014 121.806 122.820 -0.000 0.000 1.930 145 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 145 A C 2.492 180.072 177.584 -0.006 0.000 1.175 145 A CA 1.931 53.975 52.037 0.013 0.000 0.627 145 A CB -1.150 17.874 19.000 0.039 0.000 0.815 145 A HN 0.464 nan 8.150 nan 0.000 0.443 146 S N -0.597 115.086 115.700 -0.027 0.000 2.348 146 S HA -0.133 4.336 4.470 -0.001 0.000 0.221 146 S C 1.946 176.536 174.600 -0.016 0.000 1.033 146 S CA 1.617 59.803 58.200 -0.023 0.000 1.010 146 S CB -0.527 62.652 63.200 -0.036 0.000 0.891 146 S HN 0.305 nan 8.310 nan 0.000 0.442 147 V N 2.246 122.148 119.914 -0.021 0.000 2.282 147 V HA -0.215 3.904 4.120 -0.001 0.000 0.249 147 V C 2.268 178.339 176.094 -0.039 0.000 1.057 147 V CA 2.178 64.458 62.300 -0.033 0.000 1.032 147 V CB -0.674 31.122 31.823 -0.045 0.000 0.645 147 V HN 0.516 nan 8.190 nan 0.000 0.447 148 I N 0.157 120.708 120.570 -0.032 0.000 2.179 148 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 148 I C 2.426 178.547 176.117 0.006 0.000 1.088 148 I CA 1.541 62.830 61.300 -0.019 0.000 1.357 148 I CB -0.565 37.431 38.000 -0.007 0.000 1.051 148 I HN 0.364 nan 8.210 nan 0.000 0.409 149 N N 1.146 119.852 118.700 0.010 0.000 2.104 149 N HA -0.153 4.586 4.740 -0.001 0.000 0.190 149 N C 1.886 177.413 175.510 0.027 0.000 1.024 149 N CA 1.720 54.783 53.050 0.021 0.000 0.853 149 N CB -0.365 38.133 38.487 0.017 0.000 1.008 149 N HN 0.371 nan 8.380 nan 0.000 0.424 150 A N 0.515 123.346 122.820 0.018 0.000 1.898 150 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 150 A C 2.527 180.142 177.584 0.052 0.000 1.181 150 A CA 1.577 53.630 52.037 0.027 0.000 0.620 150 A CB -0.603 18.404 19.000 0.013 0.000 0.819 150 A HN 0.252 nan 8.150 nan 0.000 0.442 151 S N -0.145 115.577 115.700 0.037 0.000 2.356 151 S HA -0.120 4.349 4.470 -0.001 0.000 0.223 151 S C 1.719 176.429 174.600 0.183 0.000 1.032 151 S CA 1.511 59.763 58.200 0.085 0.000 1.005 151 S CB -0.426 62.735 63.200 -0.065 0.000 0.867 151 S HN 0.367 nan 8.310 nan 0.000 0.449 152 L N 1.162 122.455 121.223 0.117 0.000 2.187 152 L HA -0.042 4.298 4.340 -0.001 0.000 0.213 152 L C 2.393 179.319 176.870 0.092 0.000 1.100 152 L CA 1.422 56.328 54.840 0.111 0.000 0.765 152 L CB -0.546 41.556 42.059 0.072 0.000 0.904 152 L HN 0.065 nan 8.230 nan 0.000 0.437 153 R N -0.635 119.915 120.500 0.082 0.000 2.075 153 R HA 0.084 4.423 4.340 -0.001 0.000 0.226 153 R C 2.201 178.547 176.300 0.076 0.000 1.114 153 R CA 1.177 57.316 56.100 0.064 0.000 0.972 153 R CB -0.766 29.564 30.300 0.050 0.000 0.869 153 R HN 0.302 nan 8.270 nan 0.000 0.437 154 A N -1.334 121.558 122.820 0.120 0.000 2.168 154 A HA 0.200 4.519 4.320 -0.001 0.000 0.215 154 A C 1.420 179.055 177.584 0.085 0.000 1.152 154 A CA 1.315 53.432 52.037 0.133 0.000 0.716 154 A CB -0.325 18.818 19.000 0.239 0.000 0.794 154 A HN 0.452 nan 8.150 nan 0.000 0.465 155 G N -3.219 105.638 108.800 0.096 0.000 2.211 155 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.201 155 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.201 155 G C 0.090 174.992 174.900 0.003 0.000 0.997 155 G CA -0.067 45.040 45.100 0.013 0.000 0.652 155 G HN 0.361 nan 8.290 nan 0.000 0.500 156 Y N 1.779 122.115 120.300 0.059 0.000 2.511 156 Y HA 0.365 4.914 4.550 -0.001 0.000 0.347 156 Y C 1.413 177.357 175.900 0.074 0.000 1.257 156 Y CA 1.000 59.158 58.100 0.097 0.000 1.469 156 Y CB 0.505 39.043 38.460 0.130 0.000 1.353 156 Y HN 0.366 nan 8.280 nan 0.000 0.617 157 Q N 2.749 122.693 119.800 0.240 0.000 2.456 157 Q HA 0.480 4.820 4.340 -0.001 0.000 0.252 157 Q C -1.353 174.739 176.000 0.153 0.000 1.042 157 Q CA -0.246 55.636 55.803 0.132 0.000 0.766 157 Q CB 0.581 29.340 28.738 0.036 0.000 1.196 157 Q HN 0.582 nan 8.270 nan 0.000 0.504 158 I N 2.817 123.479 120.570 0.154 0.000 2.325 158 I HA 0.100 4.270 4.170 -0.001 0.000 0.291 158 I C 1.023 177.186 176.117 0.077 0.000 1.019 158 I CA -0.266 61.112 61.300 0.131 0.000 1.302 158 I CB 1.482 39.539 38.000 0.095 0.000 1.401 158 I HN 0.713 nan 8.210 nan 0.000 0.485 159 T N 0.866 115.460 114.554 0.067 0.000 3.023 159 T HA 0.401 4.750 4.350 -0.001 0.000 0.253 159 T C 0.542 175.264 174.700 0.036 0.000 1.038 159 T CA -0.115 62.009 62.100 0.039 0.000 0.962 159 T CB 0.536 69.419 68.868 0.024 0.000 1.018 159 T HN 0.718 nan 8.240 nan 0.000 0.521 160 G N 0.073 108.900 108.800 0.044 0.000 2.646 160 G HA2 0.554 4.514 3.960 -0.001 0.000 0.291 160 G HA3 0.554 4.514 3.960 -0.001 0.000 0.291 160 G C -2.139 172.781 174.900 0.034 0.000 1.445 160 G CA -0.594 44.528 45.100 0.037 0.000 0.814 160 G HN 0.274 nan 8.290 nan 0.000 0.495 161 V N 0.612 120.542 119.914 0.027 0.000 2.841 161 V HA 0.603 4.722 4.120 -0.001 0.000 0.310 161 V C -0.558 175.549 176.094 0.022 0.000 1.090 161 V CA -0.619 61.689 62.300 0.014 0.000 0.930 161 V CB 1.907 33.734 31.823 0.007 0.000 1.014 161 V HN 0.706 nan 8.190 nan 0.000 0.425 162 I N 4.741 125.318 120.570 0.013 0.000 2.465 162 I HA 0.536 4.705 4.170 -0.001 0.000 0.291 162 I C -1.327 174.798 176.117 0.014 0.000 1.014 162 I CA -0.718 60.599 61.300 0.027 0.000 1.093 162 I CB 1.924 39.943 38.000 0.032 0.000 1.267 162 I HN 0.284 nan 8.210 nan 0.000 0.431 163 L N 5.103 126.347 121.223 0.035 0.000 2.365 163 L HA 0.337 4.676 4.340 -0.001 0.000 0.273 163 L C 0.777 177.674 176.870 0.046 0.000 1.000 163 L CA 0.136 54.998 54.840 0.036 0.000 0.819 163 L CB 1.801 43.888 42.059 0.048 0.000 1.284 163 L HN 0.622 nan 8.230 nan 0.000 0.418 164 Q N 2.082 121.908 119.800 0.043 0.000 2.137 164 Q HA 0.096 4.435 4.340 -0.001 0.000 0.198 164 Q C 0.176 176.197 176.000 0.035 0.000 0.960 164 Q CA 0.890 56.712 55.803 0.031 0.000 0.847 164 Q CB 0.387 29.144 28.738 0.032 0.000 0.915 164 Q HN 0.541 nan 8.270 nan 0.000 0.448 165 R N 0.971 121.502 120.500 0.052 0.000 2.577 165 R HA 0.083 4.423 4.340 -0.001 0.000 0.269 165 R C -0.430 175.896 176.300 0.042 0.000 1.084 165 R CA -0.320 55.807 56.100 0.047 0.000 1.163 165 R CB 0.362 30.701 30.300 0.064 0.000 1.100 165 R HN 0.003 nan 8.270 nan 0.000 0.547 166 D N 0.892 121.308 120.400 0.026 0.000 2.671 166 D HA 0.013 4.653 4.640 -0.001 0.000 0.228 166 D C -0.588 175.703 176.300 -0.014 0.000 1.102 166 D CA 0.316 54.324 54.000 0.012 0.000 1.044 166 D CB -0.076 40.726 40.800 0.003 0.000 1.113 166 D HN 0.321 nan 8.370 nan 0.000 0.480 167 D N 0.145 120.546 120.400 0.001 0.000 2.540 167 D HA 0.137 4.777 4.640 -0.001 0.000 0.229 167 D C 1.939 178.237 176.300 -0.003 0.000 1.250 167 D CA -0.068 53.917 54.000 -0.023 0.000 0.817 167 D CB 0.561 41.393 40.800 0.053 0.000 1.060 167 D HN 0.425 nan 8.370 nan 0.000 0.508 168 G N 0.791 109.595 108.800 0.007 0.000 2.476 168 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 168 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 168 G C 1.657 176.560 174.900 0.006 0.000 1.164 168 G CA 0.806 45.916 45.100 0.016 0.000 0.768 168 G HN 0.260 nan 8.290 nan 0.000 0.560 169 V N 0.832 120.736 119.914 -0.018 0.000 2.453 169 V HA -0.060 4.059 4.120 -0.001 0.000 0.247 169 V C 2.915 178.991 176.094 -0.030 0.000 1.048 169 V CA 1.264 63.550 62.300 -0.022 0.000 1.049 169 V CB -0.343 31.460 31.823 -0.034 0.000 0.672 169 V HN 0.340 nan 8.190 nan 0.000 0.457 170 L N -0.518 120.653 121.223 -0.086 0.000 2.012 170 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 170 L C 2.474 179.395 176.870 0.085 0.000 1.073 170 L CA 1.251 56.004 54.840 -0.144 0.000 0.748 170 L CB -0.711 41.014 42.059 -0.556 0.000 0.891 170 L HN 0.193 nan 8.230 nan 0.000 0.431 171 V N -1.044 118.948 119.914 0.130 0.000 2.270 171 V HA -0.293 3.827 4.120 -0.001 0.000 0.245 171 V C 2.702 178.858 176.094 0.103 0.000 1.043 171 V CA 1.991 64.395 62.300 0.173 0.000 1.014 171 V CB -0.419 31.481 31.823 0.128 0.000 0.645 171 V HN 0.488 nan 8.190 nan 0.000 0.447 172 S N 0.656 116.393 115.700 0.062 0.000 2.374 172 S HA -0.267 4.203 4.470 -0.001 0.000 0.227 172 S C 1.864 176.492 174.600 0.046 0.000 1.037 172 S CA 2.068 60.294 58.200 0.044 0.000 1.024 172 S CB -0.550 62.666 63.200 0.027 0.000 0.861 172 S HN 0.647 nan 8.310 nan 0.000 0.456 173 N N 0.867 119.596 118.700 0.049 0.000 2.364 173 N HA 0.022 4.762 4.740 -0.001 0.000 0.183 173 N C 1.359 176.908 175.510 0.066 0.000 1.022 173 N CA 0.763 53.842 53.050 0.048 0.000 0.883 173 N CB -0.234 38.277 38.487 0.040 0.000 0.965 173 N HN 0.498 nan 8.380 nan 0.000 0.438 174 R N -0.402 120.151 120.500 0.089 0.000 2.432 174 R HA 0.312 4.651 4.340 -0.001 0.000 0.260 174 R C -0.156 176.179 176.300 0.059 0.000 0.935 174 R CA -0.139 56.013 56.100 0.086 0.000 1.080 174 R CB 0.505 30.880 30.300 0.125 0.000 1.155 174 R HN 0.049 nan 8.270 nan 0.000 0.531 175 L N 0.617 121.871 121.223 0.051 0.000 2.334 175 L HA 0.215 4.555 4.340 -0.001 0.000 0.277 175 L C 1.095 177.984 176.870 0.032 0.000 1.075 175 L CA -0.239 54.624 54.840 0.039 0.000 0.804 175 L CB 1.440 43.521 42.059 0.037 0.000 1.174 175 L HN 0.121 nan 8.230 nan 0.000 0.438 176 E N 0.789 121.006 120.200 0.028 0.000 2.152 176 E HA -0.083 4.267 4.350 -0.001 0.000 0.192 176 E C -0.102 176.512 176.600 0.024 0.000 0.983 176 E CA 1.007 57.422 56.400 0.025 0.000 0.818 176 E CB 0.264 29.978 29.700 0.024 0.000 0.758 176 E HN 0.229 nan 8.360 nan 0.000 0.467 177 K N 0.890 121.304 120.400 0.025 0.000 2.316 177 K HA 0.258 4.578 4.320 -0.001 0.000 0.251 177 K C -2.643 173.971 176.600 0.023 0.000 0.934 177 K CA -2.799 53.501 56.287 0.022 0.000 0.802 177 K CB 1.296 33.809 32.500 0.023 0.000 1.171 177 K HN -0.202 nan 8.250 nan 0.000 0.426 178 P HA 0.148 nan 4.420 nan 0.000 0.267 178 P C -1.093 176.218 177.300 0.019 0.000 1.200 178 P CA -0.392 62.719 63.100 0.018 0.000 0.772 178 P CB 0.625 32.334 31.700 0.014 0.000 0.855 179 L N 3.784 125.018 121.223 0.019 0.000 2.513 179 L HA 0.443 4.783 4.340 -0.001 0.000 0.261 179 L C -2.604 174.277 176.870 0.018 0.000 0.945 179 L CA -1.985 52.867 54.840 0.020 0.000 0.848 179 L CB 2.505 44.579 42.059 0.024 0.000 1.334 179 L HN 0.262 nan 8.230 nan 0.000 0.407 180 P HA 0.368 nan 4.420 nan 0.000 0.276 180 P C -1.012 176.300 177.300 0.020 0.000 1.230 180 P CA 0.054 63.163 63.100 0.015 0.000 0.776 180 P CB 0.786 32.493 31.700 0.012 0.000 0.888 181 I N 2.915 123.497 120.570 0.020 0.000 2.468 181 I HA 0.221 4.391 4.170 -0.001 0.000 0.285 181 I C -0.299 175.836 176.117 0.030 0.000 1.039 181 I CA -1.125 60.191 61.300 0.026 0.000 1.074 181 I CB 2.383 40.399 38.000 0.027 0.000 1.228 181 I HN -0.035 nan 8.210 nan 0.000 0.436 182 V N 5.883 125.824 119.914 0.045 0.000 2.383 182 V HA 0.273 4.392 4.120 -0.001 0.000 0.275 182 V C -0.199 175.950 176.094 0.092 0.000 1.036 182 V CA -0.282 62.058 62.300 0.067 0.000 0.889 182 V CB 1.285 33.168 31.823 0.099 0.000 0.985 182 V HN 0.797 nan 8.190 nan 0.000 0.459 183 D N 2.766 123.224 120.400 0.096 0.000 2.650 183 D HA 0.323 4.963 4.640 -0.001 0.000 0.255 183 D C 0.101 176.516 176.300 0.192 0.000 1.135 183 D CA -0.973 53.090 54.000 0.105 0.000 1.099 183 D CB 0.702 41.538 40.800 0.059 0.000 1.273 183 D HN 0.526 nan 8.370 nan 0.000 0.628 184 E N -1.575 118.708 120.200 0.139 0.000 2.476 184 E HA -0.115 4.235 4.350 -0.001 0.000 0.251 184 E C -0.704 175.984 176.600 0.146 0.000 1.130 184 E CA 0.168 56.661 56.400 0.155 0.000 0.736 184 E CB -1.476 28.334 29.700 0.182 0.000 1.298 184 E HN 0.243 nan 8.360 nan 0.000 0.400 185 V N 1.865 121.806 119.914 0.045 0.000 2.353 185 V HA 0.021 4.141 4.120 -0.001 0.000 0.264 185 V C 1.266 177.307 176.094 -0.088 0.000 1.049 185 V CA 0.038 62.275 62.300 -0.105 0.000 0.896 185 V CB 1.133 32.924 31.823 -0.053 0.000 1.025 185 V HN 0.263 nan 8.190 nan 0.000 0.475 186 L N 5.762 126.902 121.223 -0.139 0.000 1.994 186 L HA -0.030 4.310 4.340 -0.001 0.000 0.208 186 L C 1.134 177.811 176.870 -0.322 0.000 1.071 186 L CA 2.003 56.700 54.840 -0.238 0.000 0.745 186 L CB -0.396 41.466 42.059 -0.329 0.000 0.892 186 L HN 0.603 nan 8.230 nan 0.000 0.431 187 Y N -0.422 119.856 120.300 -0.037 0.000 2.903 187 Y HA 0.153 4.703 4.550 -0.001 0.000 0.387 187 Y C 1.520 177.409 175.900 -0.018 0.000 1.189 187 Y CA -0.242 57.845 58.100 -0.021 0.000 1.856 187 Y CB -0.426 38.021 38.460 -0.022 0.000 1.917 187 Y HN 0.169 nan 8.280 nan 0.000 0.448 188 I N 1.497 122.102 120.570 0.057 0.000 2.315 188 I HA -0.356 3.813 4.170 -0.001 0.000 0.251 188 I C 2.232 178.387 176.117 0.063 0.000 1.125 188 I CA 1.892 63.220 61.300 0.047 0.000 1.392 188 I CB -0.136 37.883 38.000 0.031 0.000 1.065 188 I HN 0.518 nan 8.210 nan 0.000 0.424 189 D N -0.203 120.246 120.400 0.082 0.000 2.350 189 D HA -0.220 4.420 4.640 -0.001 0.000 0.216 189 D C 1.821 178.160 176.300 0.066 0.000 0.968 189 D CA 0.794 54.838 54.000 0.073 0.000 0.894 189 D CB -0.360 40.489 40.800 0.080 0.000 0.909 189 D HN 0.432 nan 8.370 nan 0.000 0.520 190 R N 0.016 120.564 120.500 0.080 0.000 2.334 190 R HA 0.305 4.645 4.340 -0.001 0.000 0.216 190 R C 0.598 176.915 176.300 0.029 0.000 0.905 190 R CA -0.287 55.841 56.100 0.047 0.000 1.064 190 R CB 0.565 30.886 30.300 0.035 0.000 1.046 190 R HN 0.177 nan 8.270 nan 0.000 0.508 191 I N 4.384 124.975 120.570 0.035 0.000 2.587 191 I HA 0.031 4.200 4.170 -0.001 0.000 0.284 191 I C -1.814 174.313 176.117 0.017 0.000 1.134 191 I CA -1.699 59.616 61.300 0.024 0.000 1.410 191 I CB 0.385 38.401 38.000 0.027 0.000 1.392 191 I HN -0.199 nan 8.210 nan 0.000 0.545 192 P HA 0.118 nan 4.420 nan 0.000 0.265 192 P C -0.747 176.559 177.300 0.011 0.000 1.193 192 P CA 0.153 63.256 63.100 0.005 0.000 0.765 192 P CB 0.679 32.375 31.700 -0.007 0.000 0.823 193 L N 1.654 122.885 121.223 0.012 0.000 2.344 193 L HA 0.561 4.900 4.340 -0.001 0.000 0.272 193 L C 1.523 178.406 176.870 0.022 0.000 1.035 193 L CA -0.163 54.687 54.840 0.017 0.000 0.807 193 L CB 1.186 43.252 42.059 0.011 0.000 1.237 193 L HN 0.721 nan 8.230 nan 0.000 0.442 194 G N 1.793 110.616 108.800 0.039 0.000 2.179 194 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.260 194 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.260 194 G C 0.057 174.985 174.900 0.047 0.000 0.977 194 G CA -0.162 44.969 45.100 0.051 0.000 0.641 194 G HN 0.376 nan 8.290 nan 0.000 0.533 195 M N 0.151 119.773 119.600 0.036 0.000 2.528 195 M HA 0.523 5.002 4.480 -0.001 0.000 0.318 195 M C 0.656 176.979 176.300 0.038 0.000 1.195 195 M CA -0.850 54.458 55.300 0.014 0.000 1.000 195 M CB 1.746 34.335 32.600 -0.019 0.000 1.615 195 M HN 0.074 nan 8.290 nan 0.000 0.469 196 L N 1.858 123.093 121.223 0.019 0.000 2.416 196 L HA 0.491 4.831 4.340 -0.001 0.000 0.272 196 L C -0.300 176.654 176.870 0.140 0.000 1.161 196 L CA -0.059 54.837 54.840 0.093 0.000 0.845 196 L CB 0.765 42.891 42.059 0.112 0.000 1.119 196 L HN 0.931 nan 8.230 nan 0.000 0.464 197 A N 4.117 127.092 122.820 0.258 0.000 2.527 197 A HA 0.904 5.223 4.320 -0.001 0.000 0.293 197 A C -1.367 176.402 177.584 0.310 0.000 1.117 197 A CA -0.308 51.914 52.037 0.308 0.000 0.723 197 A CB 1.825 20.921 19.000 0.161 0.000 1.313 197 A HN 0.820 nan 8.150 nan 0.000 0.411 198 A N 0.575 123.561 122.820 0.275 0.000 2.374 198 A HA 0.738 5.057 4.320 -0.001 0.000 0.305 198 A C -0.979 176.644 177.584 0.063 0.000 1.053 198 A CA -0.301 51.773 52.037 0.062 0.000 0.726 198 A CB 0.831 19.734 19.000 -0.162 0.000 1.229 198 A HN 1.531 nan 8.150 nan 0.000 0.431 199 I N 1.184 121.773 120.570 0.031 0.000 2.509 199 I HA 0.641 4.810 4.170 -0.001 0.000 0.293 199 I C -0.768 175.355 176.117 0.010 0.000 1.020 199 I CA -0.327 60.993 61.300 0.034 0.000 1.088 199 I CB 1.605 39.630 38.000 0.041 0.000 1.267 199 I HN 0.811 nan 8.210 nan 0.000 0.430 200 E N 6.369 126.575 120.200 0.010 0.000 2.263 200 E HA 0.554 4.904 4.350 -0.001 0.000 0.268 200 E C -1.991 174.609 176.600 0.000 0.000 0.884 200 E CA -0.674 55.725 56.400 -0.002 0.000 0.766 200 E CB 2.389 32.082 29.700 -0.012 0.000 1.196 200 E HN 0.452 nan 8.360 nan 0.000 0.416 201 V N 3.043 122.955 119.914 -0.003 0.000 2.443 201 V HA 0.585 4.705 4.120 -0.001 0.000 0.293 201 V C 0.078 176.167 176.094 -0.008 0.000 1.021 201 V CA -0.696 61.601 62.300 -0.006 0.000 0.848 201 V CB 1.229 33.050 31.823 -0.003 0.000 0.998 201 V HN 0.817 nan 8.190 nan 0.000 0.424 202 A N 4.267 127.080 122.820 -0.012 0.000 2.304 202 A HA 0.784 5.104 4.320 -0.001 0.000 0.271 202 A C 0.354 177.932 177.584 -0.009 0.000 1.091 202 A CA -0.279 51.751 52.037 -0.011 0.000 0.812 202 A CB 1.010 20.002 19.000 -0.012 0.000 1.056 202 A HN 1.461 nan 8.150 nan 0.000 0.489 203 V N -1.155 118.755 119.914 -0.007 0.000 3.237 203 V HA 0.356 4.475 4.120 -0.001 0.000 0.305 203 V C -2.255 173.835 176.094 -0.006 0.000 1.096 203 V CA -1.676 60.621 62.300 -0.005 0.000 1.130 203 V CB -0.338 31.483 31.823 -0.003 0.000 1.048 203 V HN 0.782 nan 8.190 nan 0.000 0.484 204 P HA 0.206 nan 4.420 nan 0.000 0.265 204 P C 0.917 178.214 177.300 -0.004 0.000 1.193 204 P CA 1.499 64.595 63.100 -0.006 0.000 0.765 204 P CB 0.661 32.359 31.700 -0.003 0.000 0.823 205 G N 1.905 110.702 108.800 -0.006 0.000 2.199 205 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.254 205 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.254 205 G C 0.183 175.080 174.900 -0.005 0.000 0.982 205 G CA 0.181 45.279 45.100 -0.004 0.000 0.632 205 G HN 0.592 nan 8.290 nan 0.000 0.529 206 K N -0.397 119.999 120.400 -0.007 0.000 2.280 206 K HA 0.784 5.103 4.320 -0.001 0.000 0.234 206 K C 0.301 176.894 176.600 -0.011 0.000 1.028 206 K CA -0.340 55.943 56.287 -0.007 0.000 0.882 206 K CB 2.529 35.026 32.500 -0.006 0.000 1.194 206 K HN 0.606 nan 8.250 nan 0.000 0.458 207 V N -1.620 118.287 119.914 -0.011 0.000 3.019 207 V HA 0.550 4.670 4.120 -0.001 0.000 0.317 207 V C 0.147 176.234 176.094 -0.013 0.000 1.094 207 V CA -1.224 61.068 62.300 -0.014 0.000 1.000 207 V CB 1.105 32.919 31.823 -0.014 0.000 1.060 207 V HN 0.785 nan 8.190 nan 0.000 0.443 208 I N -0.731 119.830 120.570 -0.015 0.000 2.938 208 I HA 0.438 4.608 4.170 -0.001 0.000 0.285 208 I C 0.512 176.622 176.117 -0.012 0.000 1.182 208 I CA 0.169 61.461 61.300 -0.013 0.000 1.388 208 I CB 0.544 38.536 38.000 -0.014 0.000 1.390 208 I HN 0.840 nan 8.210 nan 0.000 0.600 209 E N 1.685 121.879 120.200 -0.011 0.000 2.500 209 E HA 0.035 4.385 4.350 -0.001 0.000 0.217 209 E C 1.275 177.870 176.600 -0.008 0.000 0.848 209 E CA 0.287 56.683 56.400 -0.007 0.000 1.217 209 E CB 0.789 30.486 29.700 -0.005 0.000 1.217 209 E HN 0.827 nan 8.360 nan 0.000 0.573 210 T N 1.377 115.921 114.554 -0.017 0.000 2.925 210 T HA 0.104 4.453 4.350 -0.001 0.000 0.245 210 T C 1.808 176.491 174.700 -0.028 0.000 1.025 210 T CA 0.476 62.561 62.100 -0.025 0.000 1.149 210 T CB 0.067 68.909 68.868 -0.044 0.000 0.866 210 T HN 0.006 nan 8.240 nan 0.000 0.437 211 L N 2.125 123.332 121.223 -0.027 0.000 2.552 211 L HA 0.091 4.431 4.340 -0.001 0.000 0.227 211 L C 2.195 179.060 176.870 -0.009 0.000 1.146 211 L CA 0.629 55.458 54.840 -0.017 0.000 0.858 211 L CB -0.508 41.548 42.059 -0.004 0.000 0.969 211 L HN 0.331 nan 8.230 nan 0.000 0.451 212 S N -1.843 113.848 115.700 -0.015 0.000 2.575 212 S HA 0.049 4.518 4.470 -0.001 0.000 0.215 212 S C 0.586 175.169 174.600 -0.028 0.000 0.966 212 S CA -0.423 57.765 58.200 -0.019 0.000 0.911 212 S CB -0.300 62.889 63.200 -0.018 0.000 0.780 212 S HN 0.339 nan 8.310 nan 0.000 0.514 213 N N 2.110 120.793 118.700 -0.028 0.000 2.407 213 N HA 0.408 5.148 4.740 -0.001 0.000 0.277 213 N C -2.085 173.376 175.510 -0.082 0.000 0.995 213 N CA -2.441 50.584 53.050 -0.042 0.000 0.903 213 N CB 2.110 40.603 38.487 0.009 0.000 1.218 213 N HN -0.131 nan 8.380 nan 0.000 0.487 214 P HA -0.146 nan 4.420 nan 0.000 0.216 214 P C 0.712 177.889 177.300 -0.203 0.000 1.150 214 P CA 1.484 64.440 63.100 -0.241 0.000 0.837 214 P CB 0.060 31.527 31.700 -0.389 0.000 0.786 215 Y N -0.336 119.968 120.300 0.005 0.000 2.516 215 Y HA 0.058 4.607 4.550 -0.001 0.000 0.291 215 Y C 2.822 178.715 175.900 -0.012 0.000 1.131 215 Y CA 0.514 58.614 58.100 0.001 0.000 1.281 215 Y CB -0.957 37.502 38.460 -0.003 0.000 1.013 215 Y HN -0.006 nan 8.280 nan 0.000 0.554 216 G N 0.469 109.322 108.800 0.088 0.000 2.394 216 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.215 216 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.215 216 G C 1.571 176.454 174.900 -0.027 0.000 1.165 216 G CA 0.764 45.878 45.100 0.023 0.000 0.784 216 G HN 0.348 nan 8.290 nan 0.000 0.535 217 I N 1.494 122.055 120.570 -0.015 0.000 2.226 217 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 217 I C 3.306 179.450 176.117 0.044 0.000 1.100 217 I CA 0.923 62.220 61.300 -0.004 0.000 1.374 217 I CB -0.256 37.797 38.000 0.089 0.000 1.057 217 I HN 0.238 nan 8.210 nan 0.000 0.413 218 A N 0.550 123.417 122.820 0.078 0.000 1.908 218 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 218 A C 2.385 180.010 177.584 0.068 0.000 1.181 218 A CA 2.608 54.710 52.037 0.109 0.000 0.627 218 A CB -1.116 17.976 19.000 0.152 0.000 0.818 218 A HN 0.400 nan 8.150 nan 0.000 0.445 219 T N -0.105 114.466 114.554 0.029 0.000 2.708 219 T HA -0.132 4.218 4.350 -0.001 0.000 0.266 219 T C 2.009 176.667 174.700 -0.069 0.000 1.037 219 T CA 2.170 64.265 62.100 -0.009 0.000 1.146 219 T CB -0.745 68.114 68.868 -0.015 0.000 0.865 219 T HN 0.630 nan 8.240 nan 0.000 0.435 220 V N -1.209 118.592 119.914 -0.187 0.000 2.548 220 V HA 0.085 4.204 4.120 -0.001 0.000 0.249 220 V C 1.769 177.661 176.094 -0.336 0.000 1.055 220 V CA 1.431 63.519 62.300 -0.354 0.000 1.065 220 V CB -1.047 30.393 31.823 -0.638 0.000 0.681 220 V HN 0.496 nan 8.190 nan 0.000 0.462 221 F N 0.846 120.804 119.950 0.013 0.000 2.678 221 F HA 0.387 4.914 4.527 -0.001 0.000 0.305 221 F C 1.190 176.997 175.800 0.011 0.000 1.090 221 F CA 0.239 58.245 58.000 0.010 0.000 1.272 221 F CB -0.133 38.872 39.000 0.009 0.000 1.060 221 F HN 0.280 nan 8.300 nan 0.000 0.576 222 N N 2.189 120.976 118.700 0.145 0.000 2.727 222 N HA -0.196 4.543 4.740 -0.001 0.000 0.251 222 N C -0.716 174.857 175.510 0.105 0.000 1.040 222 N CA -0.328 52.780 53.050 0.098 0.000 0.712 222 N CB -0.814 37.720 38.487 0.078 0.000 0.912 222 N HN 0.265 nan 8.380 nan 0.000 0.545 223 L N 1.430 122.725 121.223 0.120 0.000 2.395 223 L HA 0.242 4.581 4.340 -0.001 0.000 0.269 223 L C 1.324 178.240 176.870 0.076 0.000 1.133 223 L CA -0.470 54.431 54.840 0.102 0.000 0.812 223 L CB 1.253 43.382 42.059 0.117 0.000 1.125 223 L HN 0.331 nan 8.230 nan 0.000 0.452 224 S N 2.284 118.019 115.700 0.058 0.000 2.603 224 S HA 0.247 4.717 4.470 -0.001 0.000 0.268 224 S C -1.666 172.968 174.600 0.056 0.000 1.317 224 S CA -1.138 57.092 58.200 0.049 0.000 1.012 224 S CB 0.938 64.158 63.200 0.034 0.000 0.926 224 S HN 0.477 nan 8.310 nan 0.000 0.539 225 P HA -0.127 nan 4.420 nan 0.000 0.216 225 P C 1.171 178.500 177.300 0.048 0.000 1.150 225 P CA 1.308 64.448 63.100 0.067 0.000 0.837 225 P CB 0.068 31.805 31.700 0.061 0.000 0.786 226 E N 0.381 120.602 120.200 0.034 0.000 2.106 226 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 226 E C 2.023 178.635 176.600 0.019 0.000 0.984 226 E CA 1.182 57.596 56.400 0.023 0.000 0.806 226 E CB -0.516 29.194 29.700 0.017 0.000 0.750 226 E HN 0.320 nan 8.360 nan 0.000 0.458 227 E N -0.896 119.318 120.200 0.023 0.000 2.150 227 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 227 E C 1.889 178.503 176.600 0.024 0.000 0.985 227 E CA 1.394 57.806 56.400 0.020 0.000 0.814 227 E CB -0.007 29.708 29.700 0.025 0.000 0.752 227 E HN 0.205 nan 8.360 nan 0.000 0.466 228 T N 1.111 115.686 114.554 0.035 0.000 2.746 228 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 228 T C 1.773 176.465 174.700 -0.014 0.000 1.039 228 T CA 1.056 63.169 62.100 0.021 0.000 1.142 228 T CB -0.069 68.830 68.868 0.051 0.000 0.866 228 T HN 0.064 nan 8.240 nan 0.000 0.444 229 K N 0.886 121.285 120.400 -0.002 0.000 2.103 229 K HA -0.084 4.235 4.320 -0.001 0.000 0.207 229 K C 1.936 178.526 176.600 -0.017 0.000 1.048 229 K CA 1.053 57.333 56.287 -0.012 0.000 0.930 229 K CB -0.008 32.494 32.500 0.002 0.000 0.716 229 K HN 0.161 nan 8.250 nan 0.000 0.444 230 N N 0.800 119.494 118.700 -0.009 0.000 2.409 230 N HA -0.089 4.650 4.740 -0.001 0.000 0.179 230 N C 1.354 176.856 175.510 -0.014 0.000 1.032 230 N CA 0.873 53.917 53.050 -0.011 0.000 0.898 230 N CB 0.050 38.532 38.487 -0.008 0.000 0.971 230 N HN 0.336 nan 8.380 nan 0.000 0.441 231 I N -3.002 117.560 120.570 -0.013 0.000 3.883 231 I HA 0.159 4.329 4.170 -0.001 0.000 0.326 231 I C 1.533 177.633 176.117 -0.028 0.000 1.283 231 I CA 0.013 61.307 61.300 -0.010 0.000 1.161 231 I CB -0.483 37.527 38.000 0.016 0.000 1.012 231 I HN -0.312 nan 8.210 nan 0.000 0.421 232 V N 2.432 122.319 119.914 -0.046 0.000 2.282 232 V HA -0.167 3.953 4.120 -0.001 0.000 0.249 232 V C 0.121 176.188 176.094 -0.045 0.000 1.057 232 V CA 2.552 64.814 62.300 -0.063 0.000 1.032 232 V CB -1.706 30.078 31.823 -0.065 0.000 0.645 232 V HN 0.392 nan 8.190 nan 0.000 0.447 233 P HA -0.139 nan 4.420 nan 0.000 0.219 233 P C 1.839 179.127 177.300 -0.021 0.000 1.150 233 P CA 1.428 64.513 63.100 -0.024 0.000 0.814 233 P CB -0.081 31.608 31.700 -0.019 0.000 0.787 234 M N -0.431 119.159 119.600 -0.016 0.000 2.099 234 M HA -0.120 4.360 4.480 -0.001 0.000 0.262 234 M C 1.965 178.259 176.300 -0.009 0.000 1.067 234 M CA 2.130 57.426 55.300 -0.007 0.000 1.124 234 M CB -0.529 32.075 32.600 0.006 0.000 1.353 234 M HN -0.114 nan 8.290 nan 0.000 0.410 235 A N 0.386 123.195 122.820 -0.017 0.000 1.908 235 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 235 A C 2.187 179.752 177.584 -0.031 0.000 1.181 235 A CA 2.094 54.115 52.037 -0.026 0.000 0.627 235 A CB -0.819 18.151 19.000 -0.050 0.000 0.818 235 A HN 0.646 nan 8.150 nan 0.000 0.445 236 R N -0.523 119.956 120.500 -0.035 0.000 2.115 236 R HA 0.001 4.341 4.340 -0.001 0.000 0.230 236 R C 2.155 178.436 176.300 -0.032 0.000 1.111 236 R CA 1.188 57.267 56.100 -0.034 0.000 0.976 236 R CB -0.354 29.926 30.300 -0.033 0.000 0.870 236 R HN 0.431 nan 8.270 nan 0.000 0.445 237 A N 0.425 123.227 122.820 -0.029 0.000 2.070 237 A HA -0.058 4.261 4.320 -0.001 0.000 0.220 237 A C 1.838 179.398 177.584 -0.040 0.000 1.159 237 A CA 0.931 52.947 52.037 -0.035 0.000 0.656 237 A CB -0.197 18.787 19.000 -0.027 0.000 0.800 237 A HN 0.350 nan 8.150 nan 0.000 0.453 238 L N -0.367 120.838 121.223 -0.029 0.000 2.607 238 L HA 0.254 4.594 4.340 -0.001 0.000 0.228 238 L C 0.125 176.977 176.870 -0.031 0.000 1.123 238 L CA -0.371 54.453 54.840 -0.026 0.000 0.890 238 L CB -0.106 41.947 42.059 -0.010 0.000 1.103 238 L HN 0.245 nan 8.230 nan 0.000 0.468 239 I N 1.349 121.900 120.570 -0.032 0.000 2.741 239 I HA -0.071 4.099 4.170 -0.001 0.000 0.288 239 I C 1.422 177.518 176.117 -0.034 0.000 1.192 239 I CA 1.079 62.361 61.300 -0.029 0.000 1.426 239 I CB 0.197 38.181 38.000 -0.027 0.000 1.367 239 I HN 0.407 nan 8.210 nan 0.000 0.563 240 G N 3.874 112.657 108.800 -0.028 0.000 2.143 240 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.249 240 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.249 240 G C 0.081 174.960 174.900 -0.036 0.000 0.981 240 G CA -0.333 44.750 45.100 -0.029 0.000 0.665 240 G HN 0.614 nan 8.290 nan 0.000 0.528 241 N N -0.626 118.051 118.700 -0.037 0.000 2.513 241 N HA 0.522 5.261 4.740 -0.001 0.000 0.274 241 N C 1.261 176.751 175.510 -0.034 0.000 1.189 241 N CA -0.416 52.609 53.050 -0.041 0.000 0.975 241 N CB 0.772 39.237 38.487 -0.037 0.000 1.157 241 N HN 0.274 nan 8.380 nan 0.000 0.465 242 R N 0.000 120.477 120.500 -0.040 0.000 2.210 242 R HA 0.111 4.450 4.340 -0.001 0.000 0.203 242 R C -0.386 175.895 176.300 -0.032 0.000 1.010 242 R CA 0.381 56.461 56.100 -0.034 0.000 1.008 242 R CB 0.153 30.431 30.300 -0.037 0.000 0.923 242 R HN 0.698 nan 8.270 nan 0.000 0.469 243 S N -1.235 114.442 115.700 -0.038 0.000 2.579 243 S HA 0.821 5.290 4.470 -0.001 0.000 0.272 243 S C -1.138 173.460 174.600 -0.004 0.000 1.141 243 S CA -0.552 57.634 58.200 -0.023 0.000 0.843 243 S CB 2.360 65.540 63.200 -0.034 0.000 1.122 243 S HN 0.188 nan 8.310 nan 0.000 0.468 244 A N 0.716 123.549 122.820 0.021 0.000 2.608 244 A HA 0.798 5.117 4.320 -0.001 0.000 0.292 244 A C -1.662 175.958 177.584 0.059 0.000 1.066 244 A CA -0.750 51.314 52.037 0.046 0.000 0.676 244 A CB 1.271 20.289 19.000 0.029 0.000 1.277 244 A HN 1.426 nan 8.150 nan 0.000 0.413 245 V N 0.496 120.457 119.914 0.077 0.000 2.709 245 V HA 0.667 4.787 4.120 -0.001 0.000 0.308 245 V C -0.694 175.459 176.094 0.099 0.000 1.062 245 V CA -0.573 61.779 62.300 0.085 0.000 0.901 245 V CB 1.753 33.627 31.823 0.085 0.000 1.003 245 V HN 0.834 nan 8.190 nan 0.000 0.425 246 V N 4.544 124.546 119.914 0.146 0.000 2.604 246 V HA 0.622 4.742 4.120 -0.001 0.000 0.305 246 V C -0.528 175.707 176.094 0.234 0.000 1.043 246 V CA -0.631 61.785 62.300 0.193 0.000 0.888 246 V CB 2.250 34.250 31.823 0.294 0.000 0.995 246 V HN 0.615 nan 8.190 nan 0.000 0.429 247 V N 3.589 123.550 119.914 0.077 0.000 2.495 247 V HA 0.422 4.542 4.120 -0.001 0.000 0.298 247 V C 0.150 176.084 176.094 -0.267 0.000 1.031 247 V CA -0.997 61.284 62.300 -0.032 0.000 0.871 247 V CB 1.863 33.676 31.823 -0.017 0.000 0.988 247 V HN 0.844 nan 8.190 nan 0.000 0.432 248 K N 3.759 123.836 120.400 -0.538 0.000 2.155 248 K HA 0.197 4.517 4.320 -0.001 0.000 0.240 248 K C 0.546 176.966 176.600 -0.300 0.000 1.193 248 K CA -0.196 55.691 56.287 -0.665 0.000 1.104 248 K CB -0.123 31.804 32.500 -0.955 0.000 1.558 248 K HN 0.958 nan 8.250 nan 0.000 0.313 249 T N -0.061 114.373 114.554 -0.200 0.000 2.828 249 T HA 0.204 4.553 4.350 -0.001 0.000 0.290 249 T C -1.089 173.548 174.700 -0.104 0.000 1.019 249 T CA -1.444 60.586 62.100 -0.117 0.000 1.031 249 T CB 0.972 69.792 68.868 -0.080 0.000 1.001 249 T HN 0.260 nan 8.240 nan 0.000 0.531 250 P HA -0.001 nan 4.420 nan 0.000 0.215 250 P C 0.749 178.019 177.300 -0.049 0.000 1.157 250 P CA 0.951 64.018 63.100 -0.055 0.000 0.859 250 P CB 0.011 31.688 31.700 -0.038 0.000 0.786 251 S N -1.365 114.309 115.700 -0.044 0.000 2.665 251 S HA 0.544 5.013 4.470 -0.001 0.000 0.235 251 S C 0.413 174.991 174.600 -0.036 0.000 1.084 251 S CA -0.620 57.559 58.200 -0.036 0.000 1.151 251 S CB 0.041 63.225 63.200 -0.027 0.000 1.151 251 S HN 0.223 nan 8.310 nan 0.000 0.461 252 G N 0.400 109.172 108.800 -0.046 0.000 2.389 252 G HA2 0.622 4.582 3.960 -0.001 0.000 0.317 252 G HA3 0.622 4.582 3.960 -0.001 0.000 0.317 252 G C -1.363 173.515 174.900 -0.036 0.000 1.137 252 G CA -0.329 44.746 45.100 -0.041 0.000 0.870 252 G HN 0.343 nan 8.290 nan 0.000 0.496 253 D N -0.434 119.950 120.400 -0.027 0.000 2.655 253 D HA 0.472 5.112 4.640 -0.001 0.000 0.229 253 D C -1.105 175.186 176.300 -0.016 0.000 1.229 253 D CA -0.311 53.677 54.000 -0.021 0.000 0.807 253 D CB 2.434 43.222 40.800 -0.019 0.000 1.514 253 D HN 0.254 nan 8.370 nan 0.000 0.444 254 V N 2.877 122.783 119.914 -0.013 0.000 2.417 254 V HA 0.486 4.606 4.120 -0.001 0.000 0.291 254 V C -0.218 175.869 176.094 -0.012 0.000 1.024 254 V CA -0.601 61.692 62.300 -0.011 0.000 0.861 254 V CB 1.628 33.445 31.823 -0.009 0.000 0.985 254 V HN 0.386 nan 8.190 nan 0.000 0.436 255 K N 3.393 123.787 120.400 -0.010 0.000 2.270 255 K HA 0.849 5.169 4.320 -0.001 0.000 0.255 255 K C -0.715 175.880 176.600 -0.008 0.000 0.936 255 K CA -0.574 55.707 56.287 -0.010 0.000 0.809 255 K CB 2.460 34.955 32.500 -0.009 0.000 1.131 255 K HN 0.731 nan 8.250 nan 0.000 0.427 256 A N 3.885 126.700 122.820 -0.008 0.000 2.375 256 A HA 0.521 4.840 4.320 -0.001 0.000 0.291 256 A C -0.756 176.825 177.584 -0.005 0.000 1.160 256 A CA -0.821 51.213 52.037 -0.006 0.000 0.747 256 A CB 0.745 19.740 19.000 -0.008 0.000 1.170 256 A HN 0.821 nan 8.150 nan 0.000 0.458 257 R N 1.502 122.000 120.500 -0.003 0.000 2.734 257 R HA 0.821 5.160 4.340 -0.001 0.000 0.271 257 R C -0.366 175.934 176.300 -0.000 0.000 1.021 257 R CA -0.083 56.016 56.100 -0.002 0.000 0.893 257 R CB 1.051 31.349 30.300 -0.003 0.000 1.244 257 R HN 1.058 nan 8.270 nan 0.000 0.464 258 A N 1.850 124.670 122.820 -0.000 0.000 2.466 258 A HA 0.456 4.775 4.320 -0.001 0.000 0.238 258 A C 0.664 178.248 177.584 0.001 0.000 1.074 258 A CA -0.245 51.792 52.037 0.001 0.000 0.774 258 A CB -0.049 18.952 19.000 0.001 0.000 1.015 258 A HN 0.696 nan 8.150 nan 0.000 0.498 259 I N -1.149 119.422 120.570 0.002 0.000 2.934 259 I HA 0.665 4.835 4.170 -0.001 0.000 0.306 259 I C -2.630 173.488 176.117 0.002 0.000 1.110 259 I CA -2.822 58.479 61.300 0.002 0.000 1.019 259 I CB 2.332 40.334 38.000 0.002 0.000 1.227 259 I HN 0.393 nan 8.210 nan 0.000 0.434 260 P HA 0.171 nan 4.420 nan 0.000 0.268 260 P C -0.237 177.064 177.300 0.002 0.000 1.204 260 P CA -0.140 62.961 63.100 0.001 0.000 0.768 260 P CB 1.415 33.116 31.700 0.001 0.000 0.842 261 A N 1.989 124.810 122.820 0.002 0.000 2.592 261 A HA 0.589 4.908 4.320 -0.001 0.000 0.290 261 A C 0.714 178.299 177.584 0.002 0.000 0.998 261 A CA 0.260 52.298 52.037 0.002 0.000 0.983 261 A CB -0.396 18.605 19.000 0.001 0.000 1.240 261 A HN 0.886 nan 8.150 nan 0.000 0.535 262 G N 0.229 109.031 108.800 0.003 0.000 2.796 262 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.571 262 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.571 262 G C -0.941 173.962 174.900 0.004 0.000 1.370 262 G CA -0.281 44.821 45.100 0.004 0.000 0.856 262 G HN 0.590 nan 8.290 nan 0.000 0.538 263 N N -1.166 117.537 118.700 0.005 0.000 2.321 263 N HA 0.686 5.426 4.740 -0.001 0.000 0.290 263 N C -0.752 174.763 175.510 0.007 0.000 1.212 263 N CA -0.666 52.387 53.050 0.005 0.000 0.767 263 N CB 2.027 40.517 38.487 0.005 0.000 1.494 263 N HN 0.536 nan 8.380 nan 0.000 0.479 264 L N 0.923 122.151 121.223 0.007 0.000 2.329 264 L HA 0.410 4.750 4.340 -0.001 0.000 0.279 264 L C 0.085 176.961 176.870 0.009 0.000 1.014 264 L CA -0.626 54.219 54.840 0.009 0.000 0.814 264 L CB 1.709 43.773 42.059 0.009 0.000 1.257 264 L HN 0.251 nan 8.230 nan 0.000 0.424 265 E N 4.701 124.908 120.200 0.012 0.000 2.109 265 E HA 0.400 4.750 4.350 -0.001 0.000 0.278 265 E C -1.080 175.527 176.600 0.010 0.000 0.954 265 E CA -0.466 55.940 56.400 0.010 0.000 0.779 265 E CB 2.064 31.771 29.700 0.012 0.000 1.093 265 E HN 0.431 nan 8.360 nan 0.000 0.401 266 L N 4.459 125.685 121.223 0.005 0.000 2.272 266 L HA 0.341 4.680 4.340 -0.001 0.000 0.289 266 L C -0.584 176.282 176.870 -0.006 0.000 1.032 266 L CA -0.895 53.946 54.840 0.002 0.000 0.810 266 L CB 0.450 42.510 42.059 0.002 0.000 1.205 266 L HN 0.256 nan 8.230 nan 0.000 0.422 267 L N 4.066 125.281 121.223 -0.013 0.000 2.282 267 L HA 0.810 5.150 4.340 -0.001 0.000 0.288 267 L C 0.055 176.900 176.870 -0.042 0.000 1.033 267 L CA 0.004 54.825 54.840 -0.032 0.000 0.807 267 L CB 1.575 43.604 42.059 -0.049 0.000 1.209 267 L HN 0.717 nan 8.230 nan 0.000 0.423 268 A N 2.510 125.306 122.820 -0.040 0.000 2.547 268 A HA 0.581 4.901 4.320 -0.001 0.000 0.298 268 A C -0.425 177.138 177.584 -0.035 0.000 1.062 268 A CA -0.484 51.529 52.037 -0.039 0.000 0.748 268 A CB 1.014 19.999 19.000 -0.024 0.000 1.288 268 A HN 0.691 nan 8.150 nan 0.000 0.396 269 Q N 0.861 120.637 119.800 -0.040 0.000 2.487 269 Q HA -0.246 4.093 4.340 -0.001 0.000 0.279 269 Q C 1.196 177.177 176.000 -0.033 0.000 1.228 269 Q CA 1.699 57.483 55.803 -0.032 0.000 0.873 269 Q CB -1.825 26.900 28.738 -0.022 0.000 1.260 269 Q HN 2.733 nan 8.270 nan 0.000 0.471 270 G N -0.481 108.293 108.800 -0.043 0.000 2.328 270 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.256 270 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.256 270 G C 0.137 175.019 174.900 -0.032 0.000 1.014 270 G CA 0.849 45.926 45.100 -0.039 0.000 0.620 270 G HN 0.534 nan 8.290 nan 0.000 0.530 271 R N 0.411 120.894 120.500 -0.027 0.000 2.828 271 R HA 0.813 5.153 4.340 -0.001 0.000 0.264 271 R C -0.008 176.280 176.300 -0.020 0.000 1.022 271 R CA -0.180 55.908 56.100 -0.020 0.000 1.021 271 R CB 1.266 31.557 30.300 -0.015 0.000 1.163 271 R HN 0.725 nan 8.270 nan 0.000 0.494 272 S N -0.219 115.473 115.700 -0.014 0.000 2.513 272 S HA 0.724 5.193 4.470 -0.001 0.000 0.299 272 S C -0.585 174.011 174.600 -0.006 0.000 1.087 272 S CA -0.835 57.358 58.200 -0.011 0.000 1.012 272 S CB 1.714 64.908 63.200 -0.009 0.000 1.044 272 S HN 0.373 nan 8.310 nan 0.000 0.485 273 V N 2.667 122.578 119.914 -0.005 0.000 2.555 273 V HA 0.640 4.759 4.120 -0.001 0.000 0.302 273 V C 0.110 176.204 176.094 0.000 0.000 1.038 273 V CA -0.895 61.404 62.300 -0.002 0.000 0.887 273 V CB 1.683 33.505 31.823 -0.002 0.000 0.991 273 V HN 1.024 nan 8.190 nan 0.000 0.434 274 R N 3.122 123.623 120.500 0.001 0.000 2.445 274 R HA 0.834 5.174 4.340 -0.001 0.000 0.308 274 R C -1.878 174.424 176.300 0.002 0.000 0.961 274 R CA -0.382 55.720 56.100 0.003 0.000 0.862 274 R CB 1.968 32.270 30.300 0.003 0.000 1.144 274 R HN 0.552 nan 8.270 nan 0.000 0.447 275 V N 3.409 123.325 119.914 0.003 0.000 2.709 275 V HA 0.278 4.398 4.120 -0.001 0.000 0.308 275 V C -1.242 174.854 176.094 0.003 0.000 1.062 275 V CA -0.857 61.445 62.300 0.003 0.000 0.901 275 V CB 2.016 33.840 31.823 0.003 0.000 1.003 275 V HN 0.941 nan 8.190 nan 0.000 0.425 276 D N 4.143 124.544 120.400 0.002 0.000 2.348 276 D HA 0.185 4.825 4.640 -0.001 0.000 0.253 276 D C 1.025 177.326 176.300 0.002 0.000 1.161 276 D CA 0.170 54.171 54.000 0.002 0.000 0.876 276 D CB 2.078 42.879 40.800 0.002 0.000 1.160 276 D HN 0.331 nan 8.370 nan 0.000 0.459 277 V N 4.223 124.138 119.914 0.002 0.000 2.392 277 V HA -0.228 3.891 4.120 -0.001 0.000 0.249 277 V C 2.270 178.365 176.094 0.001 0.000 1.059 277 V CA 2.147 64.448 62.300 0.001 0.000 1.051 277 V CB -0.713 31.111 31.823 0.001 0.000 0.658 277 V HN 0.736 nan 8.190 nan 0.000 0.455 278 A N -0.322 122.499 122.820 0.001 0.000 2.239 278 A HA 0.230 4.550 4.320 -0.001 0.000 0.209 278 A C 2.160 179.745 177.584 0.001 0.000 1.171 278 A CA 1.133 53.171 52.037 0.001 0.000 0.768 278 A CB -0.461 18.539 19.000 0.001 0.000 0.790 278 A HN 0.543 nan 8.150 nan 0.000 0.478 279 A N -1.053 121.768 122.820 0.001 0.000 2.169 279 A HA 0.463 4.783 4.320 -0.001 0.000 0.212 279 A C 1.430 179.014 177.584 0.001 0.000 1.153 279 A CA 1.173 53.210 52.037 0.001 0.000 0.756 279 A CB -0.779 18.222 19.000 0.001 0.000 0.813 279 A HN 2.049 nan 8.150 nan 0.000 0.471 280 G N -2.849 105.951 108.800 0.000 0.000 2.663 280 G HA2 0.258 4.218 3.960 -0.001 0.000 0.686 280 G HA3 0.258 4.218 3.960 -0.001 0.000 0.686 280 G C 0.714 175.613 174.900 -0.001 0.000 1.288 280 G CA -0.169 44.931 45.100 -0.001 0.000 0.836 280 G HN 1.261 nan 8.290 nan 0.000 0.584 281 A N -0.557 122.261 122.820 -0.003 0.000 1.968 281 A HA 0.148 4.467 4.320 -0.001 0.000 0.217 281 A C 2.054 179.637 177.584 -0.002 0.000 1.169 281 A CA 2.281 54.316 52.037 -0.004 0.000 0.638 281 A CB -0.373 18.623 19.000 -0.007 0.000 0.812 281 A HN 1.031 nan 8.150 nan 0.000 0.446 282 E N 0.046 120.246 120.200 -0.000 0.000 2.077 282 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 282 E C 2.135 178.736 176.600 0.002 0.000 0.989 282 E CA 1.003 57.404 56.400 0.001 0.000 0.800 282 E CB -0.236 29.466 29.700 0.002 0.000 0.746 282 E HN 0.533 nan 8.360 nan 0.000 0.452 283 A N 1.129 123.950 122.820 0.001 0.000 1.877 283 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 283 A C 2.166 179.751 177.584 0.002 0.000 1.186 283 A CA 1.409 53.447 52.037 0.002 0.000 0.620 283 A CB -0.678 18.323 19.000 0.001 0.000 0.822 283 A HN 0.325 nan 8.150 nan 0.000 0.443 284 I N -0.706 119.865 120.570 0.001 0.000 2.163 284 I HA -0.301 3.869 4.170 -0.001 0.000 0.243 284 I C 2.538 178.656 176.117 0.001 0.000 1.085 284 I CA 1.347 62.648 61.300 0.001 0.000 1.347 284 I CB -0.341 37.659 38.000 -0.001 0.000 1.044 284 I HN 0.258 nan 8.210 nan 0.000 0.408 285 M N 0.139 119.740 119.600 0.001 0.000 2.296 285 M HA -0.160 4.319 4.480 -0.001 0.000 0.265 285 M C 2.221 178.523 176.300 0.004 0.000 1.064 285 M CA 1.510 56.811 55.300 0.002 0.000 1.109 285 M CB -1.061 31.540 32.600 0.002 0.000 1.396 285 M HN 0.131 nan 8.290 nan 0.000 0.430 286 K N 0.369 120.772 120.400 0.004 0.000 2.057 286 K HA -0.052 4.267 4.320 -0.001 0.000 0.207 286 K C 1.989 178.591 176.600 0.004 0.000 1.049 286 K CA 1.510 57.800 56.287 0.005 0.000 0.931 286 K CB -0.053 32.450 32.500 0.004 0.000 0.714 286 K HN 0.232 nan 8.250 nan 0.000 0.440 287 A N 0.177 122.999 122.820 0.003 0.000 1.902 287 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 287 A C 2.227 179.813 177.584 0.003 0.000 1.181 287 A CA 1.634 53.673 52.037 0.002 0.000 0.623 287 A CB -0.612 18.389 19.000 0.002 0.000 0.818 287 A HN 0.151 nan 8.150 nan 0.000 0.443 288 V N 0.491 120.407 119.914 0.004 0.000 2.270 288 V HA -0.185 3.934 4.120 -0.001 0.000 0.245 288 V C 1.872 177.969 176.094 0.005 0.000 1.043 288 V CA 2.228 64.531 62.300 0.004 0.000 1.014 288 V CB -0.659 31.167 31.823 0.005 0.000 0.645 288 V HN 0.485 nan 8.190 nan 0.000 0.447 289 D N 0.179 120.583 120.400 0.006 0.000 2.363 289 D HA 0.009 4.649 4.640 -0.001 0.000 0.220 289 D C 1.916 178.219 176.300 0.006 0.000 0.994 289 D CA 1.142 55.146 54.000 0.007 0.000 0.890 289 D CB 0.182 40.987 40.800 0.008 0.000 0.906 289 D HN 0.507 nan 8.370 nan 0.000 0.530 290 G N 0.132 108.934 108.800 0.004 0.000 2.986 290 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.213 290 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.213 290 G C 1.442 176.342 174.900 0.001 0.000 1.156 290 G CA 0.441 45.543 45.100 0.003 0.000 0.763 290 G HN 0.437 nan 8.290 nan 0.000 0.547 291 C N -0.527 118.774 119.300 0.000 0.000 3.183 291 C HA 0.591 5.050 4.460 -0.001 0.000 0.285 291 C C 1.563 176.550 174.990 -0.004 0.000 1.313 291 C CA -0.576 58.441 59.018 -0.002 0.000 1.711 291 C CB -0.698 27.040 27.740 -0.004 0.000 2.135 291 C HN 0.362 nan 8.230 nan 0.000 0.651 292 G N 1.893 110.692 108.800 -0.001 0.000 2.614 292 G HA2 0.302 4.262 3.960 -0.001 0.000 0.229 292 G HA3 0.302 4.262 3.960 -0.001 0.000 0.229 292 G C -0.107 174.791 174.900 -0.004 0.000 1.232 292 G CA 0.065 45.165 45.100 -0.000 0.000 0.857 292 G HN 0.552 nan 8.290 nan 0.000 0.560 293 R N 0.343 120.840 120.500 -0.005 0.000 2.486 293 R HA 0.295 4.635 4.340 -0.001 0.000 0.286 293 R C 0.388 176.684 176.300 -0.007 0.000 0.999 293 R CA -0.958 55.141 56.100 -0.001 0.000 0.993 293 R CB 1.307 31.610 30.300 0.005 0.000 1.084 293 R HN 0.455 nan 8.270 nan 0.000 0.487 294 L N 2.808 124.031 121.223 -0.000 0.000 2.462 294 L HA -0.032 4.308 4.340 -0.001 0.000 0.272 294 L C 0.859 177.721 176.870 -0.014 0.000 1.166 294 L CA 0.398 55.236 54.840 -0.004 0.000 0.880 294 L CB 0.459 42.525 42.059 0.010 0.000 1.142 294 L HN 0.483 nan 8.230 nan 0.000 0.473 295 D N 1.599 121.971 120.400 -0.046 0.000 2.338 295 D HA 0.074 4.714 4.640 -0.001 0.000 0.208 295 D C 0.217 176.459 176.300 -0.098 0.000 0.997 295 D CA 0.673 54.612 54.000 -0.101 0.000 0.880 295 D CB 0.403 41.099 40.800 -0.172 0.000 0.980 295 D HN 0.439 nan 8.370 nan 0.000 0.509 296 N N -1.069 117.608 118.700 -0.038 0.000 3.185 296 N HA 0.274 5.014 4.740 -0.001 0.000 0.238 296 N C -2.096 173.441 175.510 0.044 0.000 1.451 296 N CA -0.486 52.592 53.050 0.047 0.000 0.888 296 N CB 1.615 40.136 38.487 0.057 0.000 1.413 296 N HN -0.321 nan 8.380 nan 0.000 0.511 297 V N 0.359 120.315 119.914 0.070 0.000 2.888 297 V HA 0.762 4.882 4.120 -0.001 0.000 0.309 297 V C -0.637 175.489 176.094 0.054 0.000 1.114 297 V CA -0.614 61.715 62.300 0.048 0.000 0.940 297 V CB 1.774 33.620 31.823 0.039 0.000 1.021 297 V HN 0.914 nan 8.190 nan 0.000 0.426 298 T N 0.441 115.019 114.554 0.040 0.000 2.903 298 T HA 0.899 5.248 4.350 -0.001 0.000 0.299 298 T C -0.110 174.606 174.700 0.026 0.000 1.093 298 T CA -0.165 61.958 62.100 0.037 0.000 1.002 298 T CB 2.147 71.038 68.868 0.039 0.000 1.127 298 T HN 1.080 nan 8.240 nan 0.000 0.488 299 G N -0.102 108.712 108.800 0.024 0.000 3.175 299 G HA2 0.627 4.587 3.960 -0.001 0.000 0.255 299 G HA3 0.627 4.587 3.960 -0.001 0.000 0.255 299 G C -1.332 173.577 174.900 0.016 0.000 1.352 299 G CA -0.881 44.230 45.100 0.018 0.000 1.037 299 G HN 0.966 nan 8.290 nan 0.000 0.556 300 E N 0.014 120.222 120.200 0.013 0.000 2.197 300 E HA 0.418 4.768 4.350 -0.001 0.000 0.281 300 E C 0.063 176.669 176.600 0.011 0.000 0.995 300 E CA -0.383 56.023 56.400 0.011 0.000 0.808 300 E CB 1.078 30.783 29.700 0.008 0.000 1.093 300 E HN 0.333 nan 8.360 nan 0.000 0.394 301 S N 2.978 118.685 115.700 0.011 0.000 2.537 301 S HA 0.293 4.762 4.470 -0.001 0.000 0.286 301 S C 1.001 175.607 174.600 0.009 0.000 1.299 301 S CA 1.037 59.243 58.200 0.011 0.000 1.067 301 S CB 0.148 63.354 63.200 0.011 0.000 0.864 301 S HN 0.924 nan 8.310 nan 0.000 0.494 302 G N 2.993 111.798 108.800 0.009 0.000 2.195 302 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.246 302 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.246 302 G C 0.256 175.159 174.900 0.004 0.000 0.984 302 G CA 0.456 45.559 45.100 0.006 0.000 0.633 302 G HN 1.444 nan 8.290 nan 0.000 0.525 303 T N -1.986 112.571 114.554 0.005 0.000 2.927 303 T HA 0.595 4.945 4.350 -0.001 0.000 0.281 303 T C 1.342 176.042 174.700 0.000 0.000 0.998 303 T CA 0.121 62.223 62.100 0.002 0.000 1.019 303 T CB 1.410 70.280 68.868 0.003 0.000 1.061 303 T HN -0.044 nan 8.240 nan 0.000 0.518 304 N N 0.667 119.365 118.700 -0.004 0.000 2.084 304 N HA -0.048 4.691 4.740 -0.001 0.000 0.190 304 N C 1.903 177.409 175.510 -0.007 0.000 1.030 304 N CA 1.274 54.318 53.050 -0.010 0.000 0.849 304 N CB -0.489 37.990 38.487 -0.013 0.000 1.012 304 N HN 0.649 nan 8.380 nan 0.000 0.423 305 I N 0.681 121.249 120.570 -0.003 0.000 2.252 305 I HA -0.138 4.032 4.170 -0.001 0.000 0.245 305 I C 2.469 178.591 176.117 0.009 0.000 1.102 305 I CA 1.207 62.508 61.300 0.001 0.000 1.385 305 I CB -0.659 37.342 38.000 0.001 0.000 1.064 305 I HN 0.135 nan 8.210 nan 0.000 0.414 306 G N 0.572 109.378 108.800 0.011 0.000 2.422 306 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 306 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 306 G C 1.727 176.641 174.900 0.023 0.000 1.146 306 G CA 0.801 45.911 45.100 0.017 0.000 0.769 306 G HN 0.492 nan 8.290 nan 0.000 0.547 307 G N 0.564 109.376 108.800 0.019 0.000 2.418 307 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 307 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 307 G C 1.744 176.672 174.900 0.046 0.000 1.158 307 G CA 1.190 46.307 45.100 0.028 0.000 0.771 307 G HN 0.332 nan 8.290 nan 0.000 0.545 308 M N 0.405 120.021 119.600 0.026 0.000 2.117 308 M HA 0.055 4.535 4.480 -0.001 0.000 0.262 308 M C 2.520 178.863 176.300 0.071 0.000 1.065 308 M CA 1.309 56.631 55.300 0.036 0.000 1.114 308 M CB -0.653 31.950 32.600 0.004 0.000 1.361 308 M HN 0.243 nan 8.290 nan 0.000 0.408 309 L N 0.248 121.499 121.223 0.047 0.000 2.042 309 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 309 L C 2.435 179.334 176.870 0.047 0.000 1.076 309 L CA 1.239 56.105 54.840 0.044 0.000 0.749 309 L CB -0.806 41.274 42.059 0.034 0.000 0.893 309 L HN 0.271 nan 8.230 nan 0.000 0.432 310 E N -1.096 119.135 120.200 0.052 0.000 2.158 310 E HA -0.198 4.152 4.350 -0.001 0.000 0.191 310 E C 1.941 178.566 176.600 0.043 0.000 0.982 310 E CA 0.915 57.337 56.400 0.037 0.000 0.823 310 E CB -0.288 29.433 29.700 0.034 0.000 0.766 310 E HN 0.553 nan 8.360 nan 0.000 0.468 311 H N 0.356 119.421 119.070 -0.008 0.000 2.357 311 H HA -0.015 4.540 4.556 -0.001 0.000 0.301 311 H C 1.983 177.304 175.328 -0.013 0.000 1.082 311 H CA 1.573 57.615 56.048 -0.010 0.000 1.342 311 H CB 0.110 29.868 29.762 -0.007 0.000 1.389 311 H HN -0.000 nan 8.280 nan 0.000 0.511 312 V N 0.400 120.372 119.914 0.097 0.000 2.591 312 V HA -0.106 4.013 4.120 -0.001 0.000 0.249 312 V C 2.523 178.598 176.094 -0.032 0.000 1.053 312 V CA 1.769 64.091 62.300 0.037 0.000 1.068 312 V CB -0.504 31.355 31.823 0.059 0.000 0.689 312 V HN 0.415 nan 8.190 nan 0.000 0.462 313 R N -0.794 119.687 120.500 -0.031 0.000 2.083 313 R HA -0.193 4.147 4.340 -0.001 0.000 0.237 313 R C 2.444 178.686 176.300 -0.098 0.000 1.137 313 R CA 1.921 57.983 56.100 -0.063 0.000 0.951 313 R CB -0.288 29.982 30.300 -0.051 0.000 0.851 313 R HN 0.441 nan 8.270 nan 0.000 0.434 314 Q N -0.172 119.558 119.800 -0.116 0.000 2.124 314 Q HA -0.106 4.233 4.340 -0.001 0.000 0.202 314 Q C 1.943 177.852 176.000 -0.152 0.000 0.977 314 Q CA 2.054 57.774 55.803 -0.140 0.000 0.850 314 Q CB -0.338 28.298 28.738 -0.170 0.000 0.901 314 Q HN 0.376 nan 8.270 nan 0.000 0.429 315 T N 0.914 115.357 114.554 -0.184 0.000 2.684 315 T HA -0.194 4.156 4.350 -0.001 0.000 0.267 315 T C 1.740 176.386 174.700 -0.090 0.000 1.036 315 T CA 1.741 63.755 62.100 -0.144 0.000 1.148 315 T CB -0.208 68.588 68.868 -0.119 0.000 0.863 315 T HN 0.191 nan 8.240 nan 0.000 0.436 316 M N 1.622 121.173 119.600 -0.081 0.000 2.175 316 M HA 0.196 4.676 4.480 -0.001 0.000 0.264 316 M C 2.301 178.553 176.300 -0.079 0.000 1.063 316 M CA 1.142 56.400 55.300 -0.070 0.000 1.119 316 M CB -0.849 31.709 32.600 -0.070 0.000 1.377 316 M HN 0.200 nan 8.290 nan 0.000 0.415 317 A N 0.023 122.786 122.820 -0.095 0.000 1.873 317 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 317 A C 2.054 179.595 177.584 -0.072 0.000 1.193 317 A CA 2.307 54.288 52.037 -0.094 0.000 0.629 317 A CB -1.025 17.915 19.000 -0.100 0.000 0.826 317 A HN 0.687 nan 8.150 nan 0.000 0.447 318 E N -0.398 119.760 120.200 -0.070 0.000 2.150 318 E HA -0.070 4.280 4.350 -0.001 0.000 0.193 318 E C 1.905 178.480 176.600 -0.042 0.000 0.985 318 E CA 0.816 57.183 56.400 -0.054 0.000 0.814 318 E CB -0.234 29.433 29.700 -0.057 0.000 0.752 318 E HN 0.633 nan 8.360 nan 0.000 0.466 319 L N 0.522 121.719 121.223 -0.044 0.000 2.141 319 L HA -0.098 4.242 4.340 -0.001 0.000 0.209 319 L C 2.464 179.315 176.870 -0.031 0.000 1.094 319 L CA 1.476 56.297 54.840 -0.032 0.000 0.763 319 L CB -0.315 41.725 42.059 -0.031 0.000 0.908 319 L HN 0.279 nan 8.230 nan 0.000 0.437 320 T N -5.425 109.106 114.554 -0.039 0.000 3.069 320 T HA 0.092 4.441 4.350 -0.001 0.000 0.252 320 T C 0.784 175.463 174.700 -0.035 0.000 1.053 320 T CA -0.017 62.062 62.100 -0.037 0.000 0.964 320 T CB -0.287 68.554 68.868 -0.045 0.000 1.005 320 T HN 0.341 nan 8.240 nan 0.000 0.532 321 N N 0.729 119.407 118.700 -0.037 0.000 2.740 321 N HA -0.160 4.580 4.740 -0.001 0.000 0.248 321 N C -0.765 174.722 175.510 -0.038 0.000 1.062 321 N CA 0.576 53.606 53.050 -0.033 0.000 0.704 321 N CB -0.703 37.769 38.487 -0.024 0.000 0.968 321 N HN 0.599 nan 8.380 nan 0.000 0.547 322 K N -0.124 120.245 120.400 -0.051 0.000 2.295 322 K HA 0.568 4.888 4.320 -0.001 0.000 0.239 322 K C -2.563 173.994 176.600 -0.071 0.000 0.991 322 K CA -1.747 54.504 56.287 -0.060 0.000 0.845 322 K CB 1.544 33.999 32.500 -0.075 0.000 1.197 322 K HN -0.057 nan 8.250 nan 0.000 0.441 323 P HA 0.129 nan 4.420 nan 0.000 0.281 323 P C -0.043 177.191 177.300 -0.110 0.000 1.249 323 P CA -0.266 62.790 63.100 -0.074 0.000 0.810 323 P CB 1.310 32.977 31.700 -0.055 0.000 1.008 324 S N 1.309 116.947 115.700 -0.102 0.000 2.407 324 S HA -0.187 4.282 4.470 -0.001 0.000 0.235 324 S C 1.885 176.379 174.600 -0.177 0.000 1.036 324 S CA 2.164 60.287 58.200 -0.128 0.000 1.013 324 S CB -0.913 62.235 63.200 -0.086 0.000 0.820 324 S HN 0.763 nan 8.310 nan 0.000 0.476 325 S N 1.261 116.884 115.700 -0.129 0.000 2.442 325 S HA -0.061 4.409 4.470 -0.001 0.000 0.236 325 S C 1.196 175.657 174.600 -0.233 0.000 1.007 325 S CA 0.803 58.938 58.200 -0.107 0.000 0.965 325 S CB -0.305 62.877 63.200 -0.030 0.000 0.773 325 S HN 0.622 nan 8.310 nan 0.000 0.504 326 E N 0.270 120.276 120.200 -0.322 0.000 2.476 326 E HA 0.260 4.610 4.350 -0.001 0.000 0.196 326 E C -0.557 175.527 176.600 -0.860 0.000 1.029 326 E CA -0.218 55.912 56.400 -0.449 0.000 0.896 326 E CB 0.341 29.936 29.700 -0.175 0.000 1.012 326 E HN 0.463 nan 8.360 nan 0.000 0.475 327 I N 1.299 121.350 120.570 -0.865 0.000 2.354 327 I HA 0.318 4.487 4.170 -0.001 0.000 0.292 327 I C -0.337 175.292 176.117 -0.813 0.000 0.989 327 I CA -0.518 60.368 61.300 -0.689 0.000 1.188 327 I CB 0.216 38.027 38.000 -0.315 0.000 1.342 327 I HN -0.146 nan 8.210 nan 0.000 0.457 328 F N 5.569 125.513 119.950 -0.011 0.000 2.593 328 F HA 0.584 5.110 4.527 -0.001 0.000 0.320 328 F C 0.219 176.015 175.800 -0.007 0.000 1.060 328 F CA -0.939 57.057 58.000 -0.007 0.000 0.940 328 F CB 1.415 40.412 39.000 -0.005 0.000 1.268 328 F HN 0.133 nan 8.300 nan 0.000 0.475 329 I N 1.580 122.269 120.570 0.200 0.000 2.321 329 I HA 0.290 4.459 4.170 -0.001 0.000 0.291 329 I C -0.076 176.097 176.117 0.093 0.000 0.998 329 I CA -0.218 61.146 61.300 0.105 0.000 1.227 329 I CB 1.695 39.739 38.000 0.074 0.000 1.368 329 I HN 0.661 nan 8.210 nan 0.000 0.466 330 Q N 2.429 122.271 119.800 0.071 0.000 2.246 330 Q HA 0.211 4.551 4.340 -0.001 0.000 0.222 330 Q C -0.686 175.340 176.000 0.044 0.000 0.851 330 Q CA 0.100 55.937 55.803 0.056 0.000 0.945 330 Q CB 0.766 29.540 28.738 0.060 0.000 1.122 330 Q HN 0.583 nan 8.270 nan 0.000 0.508 331 D N -0.877 119.547 120.400 0.041 0.000 2.661 331 D HA 0.535 5.175 4.640 -0.001 0.000 0.228 331 D C -1.617 174.698 176.300 0.024 0.000 1.210 331 D CA -0.467 53.552 54.000 0.033 0.000 0.826 331 D CB 1.488 42.312 40.800 0.039 0.000 1.542 331 D HN -0.074 nan 8.370 nan 0.000 0.447 332 L N 1.538 122.771 121.223 0.016 0.000 2.388 332 L HA 0.628 4.968 4.340 -0.001 0.000 0.264 332 L C -1.299 175.570 176.870 -0.002 0.000 0.998 332 L CA -1.204 53.641 54.840 0.007 0.000 0.817 332 L CB 2.119 44.182 42.059 0.007 0.000 1.338 332 L HN 0.333 nan 8.230 nan 0.000 0.414 333 L N 2.166 123.382 121.223 -0.013 0.000 2.356 333 L HA 0.854 5.194 4.340 -0.001 0.000 0.277 333 L C -0.535 176.319 176.870 -0.026 0.000 0.996 333 L CA -0.133 54.693 54.840 -0.023 0.000 0.822 333 L CB 1.655 43.688 42.059 -0.043 0.000 1.256 333 L HN 0.662 nan 8.230 nan 0.000 0.413 334 A N 4.767 127.574 122.820 -0.020 0.000 2.317 334 A HA 0.855 5.174 4.320 -0.001 0.000 0.327 334 A C -1.275 176.295 177.584 -0.024 0.000 1.178 334 A CA -0.514 51.512 52.037 -0.019 0.000 0.817 334 A CB 1.406 20.399 19.000 -0.011 0.000 1.189 334 A HN 0.546 nan 8.150 nan 0.000 0.489 335 V N 2.423 122.322 119.914 -0.026 0.000 2.709 335 V HA 0.300 4.420 4.120 -0.001 0.000 0.308 335 V C -1.001 175.082 176.094 -0.018 0.000 1.062 335 V CA -0.926 61.358 62.300 -0.026 0.000 0.901 335 V CB 2.133 33.932 31.823 -0.040 0.000 1.003 335 V HN 0.922 nan 8.190 nan 0.000 0.425 336 D N 3.115 123.507 120.400 -0.012 0.000 2.308 336 D HA 0.484 5.123 4.640 -0.001 0.000 0.251 336 D C 0.302 176.598 176.300 -0.007 0.000 1.127 336 D CA 0.272 54.268 54.000 -0.007 0.000 0.876 336 D CB 1.864 42.662 40.800 -0.003 0.000 1.176 336 D HN 0.792 nan 8.370 nan 0.000 0.446 337 T N -1.616 112.936 114.554 -0.004 0.000 2.907 337 T HA 0.607 4.957 4.350 -0.001 0.000 0.290 337 T C -0.350 174.354 174.700 0.007 0.000 1.066 337 T CA -0.962 61.137 62.100 -0.001 0.000 1.012 337 T CB 1.890 70.755 68.868 -0.004 0.000 1.184 337 T HN 0.099 nan 8.240 nan 0.000 0.522 338 S N 0.644 116.352 115.700 0.013 0.000 2.756 338 S HA 0.630 5.099 4.470 -0.001 0.000 0.303 338 S C -0.754 173.865 174.600 0.031 0.000 1.135 338 S CA -0.582 57.631 58.200 0.022 0.000 1.066 338 S CB 0.097 63.312 63.200 0.024 0.000 1.008 338 S HN 1.335 nan 8.310 nan 0.000 0.482 339 V N 2.922 122.858 119.914 0.037 0.000 2.735 339 V HA 0.847 4.967 4.120 -0.001 0.000 0.310 339 V C -2.828 173.308 176.094 0.071 0.000 1.061 339 V CA -2.702 59.622 62.300 0.041 0.000 0.913 339 V CB 1.744 33.581 31.823 0.022 0.000 1.005 339 V HN 0.671 nan 8.190 nan 0.000 0.428 340 P HA 0.359 nan 4.420 nan 0.000 0.276 340 P C -0.818 176.547 177.300 0.108 0.000 1.235 340 P CA 0.019 63.214 63.100 0.159 0.000 0.772 340 P CB 1.493 33.229 31.700 0.060 0.000 0.871 341 V N 2.614 122.631 119.914 0.171 0.000 2.686 341 V HA 0.197 4.316 4.120 -0.001 0.000 0.306 341 V C 0.353 176.549 176.094 0.169 0.000 1.065 341 V CA -0.692 61.677 62.300 0.115 0.000 0.894 341 V CB 1.980 33.849 31.823 0.076 0.000 1.004 341 V HN 0.455 nan 8.190 nan 0.000 0.424 342 S N 2.644 118.421 115.700 0.128 0.000 2.546 342 S HA 0.207 4.676 4.470 -0.001 0.000 0.290 342 S C 0.104 174.766 174.600 0.103 0.000 1.290 342 S CA -0.307 57.979 58.200 0.144 0.000 1.069 342 S CB 0.850 64.106 63.200 0.093 0.000 0.846 342 S HN 0.507 nan 8.310 nan 0.000 0.495 343 V N 4.505 124.480 119.914 0.101 0.000 2.508 343 V HA 0.088 4.208 4.120 -0.001 0.000 0.281 343 V C 0.841 176.953 176.094 0.031 0.000 1.041 343 V CA -0.349 61.983 62.300 0.054 0.000 1.016 343 V CB 0.650 32.496 31.823 0.039 0.000 0.984 343 V HN 0.892 nan 8.190 nan 0.000 0.478 344 T N 4.655 119.218 114.554 0.015 0.000 2.867 344 T HA 0.395 4.745 4.350 -0.001 0.000 0.297 344 T C 1.222 175.911 174.700 -0.018 0.000 0.989 344 T CA 1.037 63.135 62.100 -0.004 0.000 1.159 344 T CB 0.589 69.453 68.868 -0.007 0.000 0.928 344 T HN 1.362 nan 8.240 nan 0.000 0.538 345 G N 2.741 111.516 108.800 -0.041 0.000 2.175 345 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.244 345 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.244 345 G C 0.481 175.349 174.900 -0.053 0.000 0.982 345 G CA -0.262 44.803 45.100 -0.058 0.000 0.641 345 G HN 1.128 nan 8.290 nan 0.000 0.527 346 G N -0.468 108.316 108.800 -0.027 0.000 2.441 346 G HA2 0.520 4.479 3.960 -0.001 0.000 0.243 346 G HA3 0.520 4.479 3.960 -0.001 0.000 0.243 346 G C 0.797 175.697 174.900 0.001 0.000 1.281 346 G CA -0.159 44.941 45.100 -0.000 0.000 0.854 346 G HN 0.420 nan 8.290 nan 0.000 0.560 347 L N 1.747 122.983 121.223 0.022 0.000 2.529 347 L HA 0.315 4.654 4.340 -0.001 0.000 0.223 347 L C 2.208 179.162 176.870 0.140 0.000 1.113 347 L CA 1.279 56.178 54.840 0.097 0.000 0.861 347 L CB 0.422 42.512 42.059 0.052 0.000 1.012 347 L HN 0.670 nan 8.230 nan 0.000 0.461 348 A N -1.498 121.320 122.820 -0.003 0.000 2.592 348 A HA 0.594 4.914 4.320 -0.001 0.000 0.290 348 A C 1.231 178.812 177.584 -0.006 0.000 0.998 348 A CA 0.332 52.267 52.037 -0.171 0.000 0.983 348 A CB -0.186 18.320 19.000 -0.823 0.000 1.240 348 A HN 0.299 nan 8.150 nan 0.000 0.535 349 G N 0.035 108.897 108.800 0.104 0.000 2.132 349 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.234 349 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.234 349 G C -0.202 174.824 174.900 0.209 0.000 0.989 349 G CA 0.187 45.380 45.100 0.155 0.000 0.676 349 G HN 0.565 nan 8.290 nan 0.000 0.522 350 E N -0.212 120.085 120.200 0.163 0.000 2.502 350 E HA 0.458 4.808 4.350 -0.001 0.000 0.261 350 E C 0.546 177.270 176.600 0.207 0.000 0.974 350 E CA 0.667 57.153 56.400 0.142 0.000 0.936 350 E CB 0.133 29.871 29.700 0.063 0.000 0.926 350 E HN 0.720 nan 8.360 nan 0.000 0.459 351 F N -0.395 119.583 119.950 0.048 0.000 2.611 351 F HA 0.814 5.340 4.527 -0.001 0.000 0.324 351 F C -0.329 175.487 175.800 0.027 0.000 1.061 351 F CA -1.085 56.934 58.000 0.032 0.000 0.954 351 F CB 1.806 40.824 39.000 0.030 0.000 1.301 351 F HN 0.257 nan 8.300 nan 0.000 0.482 352 S N 1.194 116.956 115.700 0.103 0.000 2.541 352 S HA 0.603 5.073 4.470 -0.001 0.000 0.271 352 S C -1.322 173.348 174.600 0.117 0.000 1.133 352 S CA -0.849 57.341 58.200 -0.017 0.000 0.876 352 S CB 1.209 64.392 63.200 -0.028 0.000 1.105 352 S HN 0.814 nan 8.310 nan 0.000 0.470 353 L N 3.854 125.123 121.223 0.076 0.000 2.410 353 L HA 0.420 4.759 4.340 -0.001 0.000 0.273 353 L C 0.178 177.080 176.870 0.052 0.000 1.144 353 L CA -0.070 54.824 54.840 0.089 0.000 0.863 353 L CB 0.337 42.436 42.059 0.067 0.000 1.140 353 L HN 0.583 nan 8.230 nan 0.000 0.463 354 E N 3.242 123.474 120.200 0.053 0.000 2.244 354 E HA 0.341 4.691 4.350 -0.001 0.000 0.266 354 E C -0.861 175.754 176.600 0.025 0.000 0.914 354 E CA -0.819 55.601 56.400 0.034 0.000 0.794 354 E CB 1.796 31.517 29.700 0.035 0.000 1.210 354 E HN 0.458 nan 8.360 nan 0.000 0.414 355 Q N 0.347 120.157 119.800 0.017 0.000 2.373 355 Q HA 0.518 4.858 4.340 -0.001 0.000 0.255 355 Q C -0.575 175.431 176.000 0.010 0.000 0.980 355 Q CA -0.050 55.760 55.803 0.012 0.000 0.882 355 Q CB 1.066 29.809 28.738 0.008 0.000 1.249 355 Q HN 0.556 nan 8.270 nan 0.000 0.438 356 A N 1.535 124.359 122.820 0.007 0.000 2.593 356 A HA 0.728 5.048 4.320 -0.001 0.000 0.290 356 A C -1.509 176.074 177.584 -0.001 0.000 1.126 356 A CA -0.607 51.432 52.037 0.003 0.000 0.695 356 A CB 1.636 20.638 19.000 0.004 0.000 1.290 356 A HN 0.412 nan 8.150 nan 0.000 0.414 357 V N 0.702 120.614 119.914 -0.004 0.000 2.483 357 V HA 0.647 4.766 4.120 -0.001 0.000 0.297 357 V C 0.645 176.732 176.094 -0.012 0.000 1.027 357 V CA -0.107 62.188 62.300 -0.007 0.000 0.855 357 V CB 1.569 33.389 31.823 -0.006 0.000 0.995 357 V HN 1.347 nan 8.190 nan 0.000 0.424 358 G N 5.233 114.023 108.800 -0.017 0.000 2.356 358 G HA2 0.670 4.629 3.960 -0.001 0.000 0.298 358 G HA3 0.670 4.629 3.960 -0.001 0.000 0.298 358 G C -0.767 174.118 174.900 -0.025 0.000 1.145 358 G CA -0.343 44.743 45.100 -0.024 0.000 0.850 358 G HN 0.448 nan 8.290 nan 0.000 0.487 359 I N 1.247 121.803 120.570 -0.023 0.000 2.498 359 I HA 0.519 4.689 4.170 -0.001 0.000 0.290 359 I C 0.212 176.315 176.117 -0.024 0.000 1.032 359 I CA -0.972 60.316 61.300 -0.020 0.000 1.073 359 I CB 1.450 39.444 38.000 -0.011 0.000 1.251 359 I HN 0.566 nan 8.210 nan 0.000 0.426 360 A N 4.875 127.678 122.820 -0.027 0.000 2.340 360 A HA 0.837 5.157 4.320 -0.001 0.000 0.331 360 A C -0.060 177.518 177.584 -0.010 0.000 1.140 360 A CA -0.414 51.608 52.037 -0.026 0.000 0.801 360 A CB 1.272 20.245 19.000 -0.045 0.000 1.234 360 A HN 0.766 nan 8.150 nan 0.000 0.469 361 S N 1.846 117.545 115.700 -0.000 0.000 2.607 361 S HA 0.818 5.288 4.470 -0.001 0.000 0.303 361 S C -0.471 174.138 174.600 0.015 0.000 1.086 361 S CA -0.686 57.521 58.200 0.011 0.000 0.995 361 S CB 1.631 64.842 63.200 0.019 0.000 1.084 361 S HN 0.829 nan 8.310 nan 0.000 0.507 362 M N 2.887 122.500 119.600 0.022 0.000 2.204 362 M HA 0.478 4.957 4.480 -0.001 0.000 0.293 362 M C -2.143 174.170 176.300 0.021 0.000 0.994 362 M CA -0.650 54.664 55.300 0.023 0.000 0.925 362 M CB 1.599 34.222 32.600 0.038 0.000 1.577 362 M HN 0.681 nan 8.290 nan 0.000 0.439 363 V N 5.342 125.259 119.914 0.006 0.000 2.417 363 V HA 0.527 4.646 4.120 -0.001 0.000 0.291 363 V C -0.412 175.665 176.094 -0.028 0.000 1.024 363 V CA -0.727 61.572 62.300 -0.000 0.000 0.861 363 V CB 1.967 33.783 31.823 -0.011 0.000 0.985 363 V HN 0.831 nan 8.190 nan 0.000 0.436 364 K N 2.965 123.352 120.400 -0.022 0.000 2.324 364 K HA 0.747 5.067 4.320 -0.001 0.000 0.253 364 K C -0.466 176.119 176.600 -0.026 0.000 0.932 364 K CA -0.218 56.034 56.287 -0.059 0.000 0.799 364 K CB 2.086 34.533 32.500 -0.089 0.000 1.154 364 K HN 0.717 nan 8.250 nan 0.000 0.425 365 S N 1.437 117.112 115.700 -0.042 0.000 2.823 365 S HA 0.266 4.736 4.470 -0.001 0.000 0.316 365 S C 0.143 174.731 174.600 -0.019 0.000 1.116 365 S CA -0.625 57.560 58.200 -0.025 0.000 0.911 365 S CB 0.979 64.153 63.200 -0.043 0.000 1.276 365 S HN 0.764 nan 8.310 nan 0.000 0.565 366 D N 0.959 121.353 120.400 -0.009 0.000 2.084 366 D HA 0.049 4.688 4.640 -0.001 0.000 0.196 366 D C 0.635 176.932 176.300 -0.006 0.000 0.985 366 D CA 1.285 55.285 54.000 -0.001 0.000 0.826 366 D CB 0.019 40.821 40.800 0.003 0.000 0.978 366 D HN 0.615 nan 8.370 nan 0.000 0.456 367 R N -1.264 119.228 120.500 -0.012 0.000 2.739 367 R HA 0.430 4.770 4.340 -0.001 0.000 0.266 367 R C -1.295 174.997 176.300 -0.014 0.000 1.044 367 R CA -0.692 55.402 56.100 -0.009 0.000 0.885 367 R CB 0.653 30.953 30.300 -0.001 0.000 1.260 367 R HN -0.134 nan 8.270 nan 0.000 0.477 368 L N 1.065 122.282 121.223 -0.011 0.000 2.431 368 L HA 0.383 4.722 4.340 -0.001 0.000 0.260 368 L C 0.337 177.202 176.870 -0.008 0.000 1.098 368 L CA -1.061 53.772 54.840 -0.012 0.000 0.800 368 L CB 1.260 43.313 42.059 -0.010 0.000 1.210 368 L HN 0.607 nan 8.230 nan 0.000 0.465 369 Q N 1.054 120.849 119.800 -0.009 0.000 3.026 369 Q HA 0.114 4.454 4.340 -0.001 0.000 0.258 369 Q C 0.530 176.527 176.000 -0.006 0.000 1.388 369 Q CA -0.234 55.564 55.803 -0.007 0.000 1.000 369 Q CB 0.541 29.274 28.738 -0.009 0.000 1.634 369 Q HN 0.538 nan 8.270 nan 0.000 0.571 370 M N -0.042 119.556 119.600 -0.003 0.000 2.200 370 M HA -0.067 4.412 4.480 -0.001 0.000 0.265 370 M C 2.067 178.364 176.300 -0.005 0.000 1.066 370 M CA 1.017 56.315 55.300 -0.003 0.000 1.127 370 M CB -1.060 31.542 32.600 0.002 0.000 1.379 370 M HN 0.571 nan 8.290 nan 0.000 0.420 371 A N 0.542 123.360 122.820 -0.004 0.000 1.908 371 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 371 A C 2.332 179.910 177.584 -0.010 0.000 1.181 371 A CA 2.045 54.079 52.037 -0.005 0.000 0.627 371 A CB -0.803 18.196 19.000 -0.002 0.000 0.818 371 A HN 0.557 nan 8.150 nan 0.000 0.445 372 M N -0.414 119.180 119.600 -0.011 0.000 2.106 372 M HA -0.179 4.300 4.480 -0.001 0.000 0.259 372 M C 1.908 178.195 176.300 -0.022 0.000 1.068 372 M CA 2.118 57.409 55.300 -0.015 0.000 1.100 372 M CB -0.366 32.227 32.600 -0.012 0.000 1.351 372 M HN 0.441 nan 8.290 nan 0.000 0.404 373 I N 0.404 120.961 120.570 -0.022 0.000 2.252 373 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 373 I C 2.726 178.820 176.117 -0.038 0.000 1.102 373 I CA 1.079 62.360 61.300 -0.032 0.000 1.385 373 I CB -0.728 37.257 38.000 -0.024 0.000 1.064 373 I HN 0.405 nan 8.210 nan 0.000 0.414 374 A N 0.953 123.756 122.820 -0.028 0.000 1.902 374 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 374 A C 2.385 179.950 177.584 -0.032 0.000 1.181 374 A CA 1.605 53.625 52.037 -0.029 0.000 0.623 374 A CB -0.579 18.410 19.000 -0.018 0.000 0.818 374 A HN 0.302 nan 8.150 nan 0.000 0.443 375 R N -0.948 119.536 120.500 -0.027 0.000 2.115 375 R HA -0.115 4.225 4.340 -0.001 0.000 0.230 375 R C 2.193 178.471 176.300 -0.037 0.000 1.111 375 R CA 1.389 57.473 56.100 -0.027 0.000 0.976 375 R CB -0.140 30.148 30.300 -0.020 0.000 0.870 375 R HN 0.639 nan 8.270 nan 0.000 0.445 376 E N 1.048 121.220 120.200 -0.048 0.000 2.107 376 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 376 E C 1.611 178.162 176.600 -0.082 0.000 0.982 376 E CA 1.151 57.511 56.400 -0.066 0.000 0.809 376 E CB -0.067 29.584 29.700 -0.081 0.000 0.756 376 E HN 0.275 nan 8.360 nan 0.000 0.459 377 I N 0.517 121.039 120.570 -0.079 0.000 2.202 377 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 377 I C 2.395 178.475 176.117 -0.062 0.000 1.091 377 I CA 1.317 62.569 61.300 -0.080 0.000 1.368 377 I CB -0.322 37.636 38.000 -0.070 0.000 1.058 377 I HN 0.181 nan 8.210 nan 0.000 0.410 378 E N 0.319 120.491 120.200 -0.048 0.000 2.085 378 E HA -0.284 4.066 4.350 -0.001 0.000 0.194 378 E C 2.243 178.821 176.600 -0.036 0.000 0.994 378 E CA 1.148 57.526 56.400 -0.037 0.000 0.801 378 E CB -0.073 29.610 29.700 -0.028 0.000 0.743 378 E HN 0.391 nan 8.360 nan 0.000 0.453 379 Q N 0.411 120.187 119.800 -0.039 0.000 2.119 379 Q HA -0.143 4.196 4.340 -0.001 0.000 0.201 379 Q C 1.823 177.800 176.000 -0.039 0.000 0.972 379 Q CA 1.153 56.935 55.803 -0.035 0.000 0.847 379 Q CB 0.204 28.921 28.738 -0.035 0.000 0.903 379 Q HN 0.095 nan 8.270 nan 0.000 0.433 380 K N -0.189 120.178 120.400 -0.054 0.000 2.262 380 K HA 0.095 4.415 4.320 -0.001 0.000 0.200 380 K C 2.003 178.575 176.600 -0.047 0.000 1.049 380 K CA 0.359 56.612 56.287 -0.057 0.000 0.979 380 K CB 0.376 32.822 32.500 -0.090 0.000 0.773 380 K HN 0.238 nan 8.250 nan 0.000 0.474 381 L N 0.290 121.485 121.223 -0.047 0.000 2.556 381 L HA 0.104 4.444 4.340 -0.001 0.000 0.226 381 L C -0.125 176.727 176.870 -0.030 0.000 1.089 381 L CA -0.083 54.733 54.840 -0.040 0.000 0.864 381 L CB -0.083 41.948 42.059 -0.046 0.000 1.067 381 L HN 0.157 nan 8.230 nan 0.000 0.477 382 N N 1.425 120.108 118.700 -0.028 0.000 2.740 382 N HA -0.168 4.571 4.740 -0.001 0.000 0.248 382 N C -0.606 174.893 175.510 -0.019 0.000 1.062 382 N CA 0.919 53.957 53.050 -0.020 0.000 0.704 382 N CB -1.091 37.387 38.487 -0.015 0.000 0.968 382 N HN 0.317 nan 8.380 nan 0.000 0.547 383 I N -0.159 120.397 120.570 -0.024 0.000 2.608 383 I HA 0.211 4.381 4.170 -0.001 0.000 0.295 383 I C -0.024 176.077 176.117 -0.025 0.000 1.049 383 I CA -0.909 60.377 61.300 -0.024 0.000 1.063 383 I CB 1.853 39.834 38.000 -0.031 0.000 1.248 383 I HN -0.205 nan 8.210 nan 0.000 0.424 384 D N 4.587 124.975 120.400 -0.020 0.000 2.458 384 D HA 0.213 4.853 4.640 -0.001 0.000 0.243 384 D C -0.545 175.735 176.300 -0.033 0.000 1.146 384 D CA 0.421 54.410 54.000 -0.019 0.000 0.877 384 D CB 1.253 42.049 40.800 -0.007 0.000 1.176 384 D HN 0.007 nan 8.370 nan 0.000 0.461 385 V N 3.686 123.582 119.914 -0.029 0.000 2.531 385 V HA 0.314 4.434 4.120 -0.001 0.000 0.301 385 V C 0.045 176.127 176.094 -0.021 0.000 1.034 385 V CA -0.781 61.497 62.300 -0.037 0.000 0.865 385 V CB 1.673 33.474 31.823 -0.037 0.000 0.995 385 V HN 0.477 nan 8.190 nan 0.000 0.424 386 Q N 4.469 124.255 119.800 -0.022 0.000 2.433 386 Q HA 0.700 5.039 4.340 -0.001 0.000 0.279 386 Q C -1.427 174.577 176.000 0.006 0.000 1.105 386 Q CA -1.034 54.771 55.803 0.004 0.000 0.815 386 Q CB 2.826 31.584 28.738 0.034 0.000 1.403 386 Q HN 0.454 nan 8.270 nan 0.000 0.435 387 I N 1.530 122.113 120.570 0.022 0.000 2.440 387 I HA 0.399 4.568 4.170 -0.001 0.000 0.294 387 I C 0.781 176.927 176.117 0.048 0.000 0.995 387 I CA 0.090 61.405 61.300 0.025 0.000 1.306 387 I CB 0.935 38.948 38.000 0.022 0.000 1.407 387 I HN 0.939 nan 8.210 nan 0.000 0.501 388 G N 3.627 112.457 108.800 0.050 0.000 2.606 388 G HA2 0.601 4.560 3.960 -0.001 0.000 0.262 388 G HA3 0.601 4.560 3.960 -0.001 0.000 0.262 388 G C 0.248 175.187 174.900 0.065 0.000 1.394 388 G CA -0.224 44.921 45.100 0.076 0.000 1.044 388 G HN 0.726 nan 8.290 nan 0.000 0.553 389 G N -1.075 107.767 108.800 0.070 0.000 2.531 389 G HA2 0.565 4.524 3.960 -0.001 0.000 0.253 389 G HA3 0.565 4.524 3.960 -0.001 0.000 0.253 389 G C 0.334 175.264 174.900 0.050 0.000 1.439 389 G CA 0.270 45.404 45.100 0.056 0.000 1.056 389 G HN 1.075 nan 8.290 nan 0.000 0.555 390 A N -1.005 121.843 122.820 0.047 0.000 2.462 390 A HA 0.305 4.624 4.320 -0.001 0.000 0.243 390 A C 1.232 178.847 177.584 0.052 0.000 1.076 390 A CA 0.555 52.622 52.037 0.050 0.000 0.773 390 A CB 0.325 19.354 19.000 0.048 0.000 1.010 390 A HN 0.818 nan 8.150 nan 0.000 0.493 391 E N 2.193 122.429 120.200 0.059 0.000 2.110 391 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 391 E C 1.972 178.602 176.600 0.049 0.000 0.988 391 E CA 1.348 57.783 56.400 0.058 0.000 0.804 391 E CB -0.130 29.612 29.700 0.071 0.000 0.745 391 E HN 0.825 nan 8.360 nan 0.000 0.458 392 A N 1.136 123.986 122.820 0.050 0.000 1.933 392 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 392 A C 2.077 179.672 177.584 0.018 0.000 1.175 392 A CA 1.583 53.633 52.037 0.022 0.000 0.628 392 A CB -0.520 18.483 19.000 0.004 0.000 0.814 392 A HN 0.418 nan 8.150 nan 0.000 0.444 393 E N -0.086 120.129 120.200 0.026 0.000 2.072 393 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 393 E C 2.165 178.782 176.600 0.028 0.000 0.985 393 E CA 0.938 57.352 56.400 0.024 0.000 0.801 393 E CB -0.211 29.506 29.700 0.029 0.000 0.750 393 E HN 0.531 nan 8.360 nan 0.000 0.452 394 A N 1.290 124.131 122.820 0.035 0.000 1.902 394 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 394 A C 2.384 179.985 177.584 0.028 0.000 1.181 394 A CA 1.774 53.834 52.037 0.039 0.000 0.623 394 A CB -0.686 18.341 19.000 0.044 0.000 0.818 394 A HN 0.395 nan 8.150 nan 0.000 0.443 395 A N 0.020 122.854 122.820 0.023 0.000 1.902 395 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 395 A C 2.128 179.717 177.584 0.008 0.000 1.181 395 A CA 1.530 53.576 52.037 0.015 0.000 0.623 395 A CB -0.611 18.396 19.000 0.013 0.000 0.818 395 A HN 0.499 nan 8.150 nan 0.000 0.443 396 I N -0.288 120.286 120.570 0.006 0.000 2.179 396 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 396 I C 2.381 178.498 176.117 0.000 0.000 1.088 396 I CA 1.149 62.449 61.300 0.000 0.000 1.357 396 I CB -0.376 37.623 38.000 -0.002 0.000 1.051 396 I HN 0.302 nan 8.210 nan 0.000 0.409 397 L N 0.375 121.603 121.223 0.008 0.000 2.046 397 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 397 L C 2.706 179.580 176.870 0.006 0.000 1.077 397 L CA 1.585 56.430 54.840 0.009 0.000 0.747 397 L CB -1.225 40.847 42.059 0.022 0.000 0.896 397 L HN 0.329 nan 8.230 nan 0.000 0.432 398 G N -0.259 108.547 108.800 0.010 0.000 2.421 398 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.216 398 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.216 398 G C 1.780 176.680 174.900 -0.001 0.000 1.171 398 G CA 0.831 45.935 45.100 0.007 0.000 0.775 398 G HN 0.464 nan 8.290 nan 0.000 0.543 399 A N 0.491 123.310 122.820 -0.002 0.000 1.940 399 A HA 0.067 4.387 4.320 -0.001 0.000 0.219 399 A C 2.343 179.919 177.584 -0.012 0.000 1.176 399 A CA 1.228 53.262 52.037 -0.005 0.000 0.631 399 A CB -0.398 18.600 19.000 -0.004 0.000 0.814 399 A HN 0.366 nan 8.150 nan 0.000 0.446 400 L N 0.281 121.494 121.223 -0.018 0.000 2.551 400 L HA -0.082 4.258 4.340 -0.001 0.000 0.228 400 L C 2.389 179.240 176.870 -0.031 0.000 1.153 400 L CA 1.289 56.109 54.840 -0.032 0.000 0.851 400 L CB -0.423 41.615 42.059 -0.034 0.000 0.959 400 L HN 0.643 nan 8.230 nan 0.000 0.451 401 T N -5.238 109.304 114.554 -0.020 0.000 3.148 401 T HA -0.003 4.346 4.350 -0.001 0.000 0.253 401 T C 0.878 175.566 174.700 -0.019 0.000 1.134 401 T CA -0.119 61.969 62.100 -0.020 0.000 1.051 401 T CB -0.540 68.319 68.868 -0.014 0.000 0.959 401 T HN 0.034 nan 8.240 nan 0.000 0.525 402 T N 4.943 119.486 114.554 -0.018 0.000 2.799 402 T HA 0.290 4.639 4.350 -0.001 0.000 0.296 402 T C -2.491 172.199 174.700 -0.017 0.000 0.947 402 T CA -0.860 61.233 62.100 -0.012 0.000 1.141 402 T CB 0.782 69.648 68.868 -0.002 0.000 0.891 402 T HN 0.212 nan 8.240 nan 0.000 0.533 403 P HA 0.227 nan 4.420 nan 0.000 0.266 403 P C 1.039 178.336 177.300 -0.004 0.000 1.195 403 P CA 0.623 63.716 63.100 -0.012 0.000 0.768 403 P CB 0.361 32.059 31.700 -0.004 0.000 0.838 404 G N 1.035 109.825 108.800 -0.018 0.000 2.176 404 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.253 404 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.253 404 G C 0.305 175.162 174.900 -0.071 0.000 0.979 404 G CA 0.344 45.444 45.100 -0.000 0.000 0.641 404 G HN 0.831 nan 8.290 nan 0.000 0.530 405 T N -2.259 112.214 114.554 -0.136 0.000 2.944 405 T HA 0.798 5.147 4.350 -0.001 0.000 0.284 405 T C -0.206 174.281 174.700 -0.355 0.000 1.010 405 T CA 0.392 62.315 62.100 -0.295 0.000 1.025 405 T CB 2.940 71.722 68.868 -0.143 0.000 1.079 405 T HN 1.217 nan 8.240 nan 0.000 0.516 406 T N -0.415 113.848 114.554 -0.485 0.000 2.775 406 T HA 0.401 4.750 4.350 -0.001 0.000 0.320 406 T C -1.339 173.202 174.700 -0.266 0.000 1.597 406 T CA -0.927 60.981 62.100 -0.321 0.000 1.022 406 T CB 1.238 69.921 68.868 -0.309 0.000 1.485 406 T HN 0.802 nan 8.240 nan 0.000 0.494 407 R N 2.305 122.717 120.500 -0.147 0.000 2.490 407 R HA 0.427 4.767 4.340 -0.001 0.000 0.280 407 R C -2.120 174.140 176.300 -0.067 0.000 1.077 407 R CA -1.444 54.605 56.100 -0.085 0.000 1.065 407 R CB 0.177 30.445 30.300 -0.053 0.000 1.003 407 R HN 0.442 nan 8.270 nan 0.000 0.470 408 P HA 0.114 nan 4.420 nan 0.000 0.275 408 P C -1.143 176.171 177.300 0.024 0.000 1.227 408 P CA -0.318 62.785 63.100 0.005 0.000 0.781 408 P CB 0.917 32.633 31.700 0.028 0.000 0.906 409 L N 2.424 123.655 121.223 0.014 0.000 2.431 409 L HA 0.734 5.073 4.340 -0.001 0.000 0.266 409 L C -1.082 175.804 176.870 0.027 0.000 0.978 409 L CA -0.765 54.097 54.840 0.037 0.000 0.822 409 L CB 1.987 44.042 42.059 -0.007 0.000 1.310 409 L HN 0.514 nan 8.230 nan 0.000 0.409 410 A N 5.408 128.251 122.820 0.038 0.000 2.325 410 A HA 0.849 5.168 4.320 -0.001 0.000 0.333 410 A C -0.734 176.853 177.584 0.006 0.000 1.155 410 A CA -0.567 51.474 52.037 0.007 0.000 0.814 410 A CB 0.857 19.852 19.000 -0.009 0.000 1.206 410 A HN 0.852 nan 8.150 nan 0.000 0.482 411 I N -0.710 119.855 120.570 -0.009 0.000 2.569 411 I HA 0.698 4.868 4.170 -0.001 0.000 0.296 411 I C -1.341 174.764 176.117 -0.021 0.000 1.028 411 I CA -0.930 60.363 61.300 -0.012 0.000 1.082 411 I CB 1.872 39.865 38.000 -0.011 0.000 1.264 411 I HN 0.431 nan 8.210 nan 0.000 0.429 412 L N 4.720 125.930 121.223 -0.022 0.000 2.294 412 L HA 0.404 4.744 4.340 -0.001 0.000 0.283 412 L C -0.683 176.174 176.870 -0.022 0.000 1.015 412 L CA -0.334 54.494 54.840 -0.020 0.000 0.831 412 L CB 1.117 43.163 42.059 -0.021 0.000 1.217 412 L HN 0.632 nan 8.230 nan 0.000 0.420 413 D N 5.423 125.817 120.400 -0.009 0.000 2.428 413 D HA 0.274 4.913 4.640 -0.001 0.000 0.221 413 D C -0.601 175.713 176.300 0.024 0.000 1.123 413 D CA -0.203 53.797 54.000 -0.001 0.000 0.869 413 D CB 0.886 41.691 40.800 0.007 0.000 1.032 413 D HN 0.346 nan 8.370 nan 0.000 0.506 414 L N 3.901 125.120 121.223 -0.007 0.000 2.272 414 L HA 0.505 4.844 4.340 -0.001 0.000 0.284 414 L C 1.164 178.069 176.870 0.057 0.000 1.045 414 L CA -0.657 54.199 54.840 0.026 0.000 0.842 414 L CB 1.464 43.376 42.059 -0.246 0.000 1.224 414 L HN 0.313 nan 8.230 nan 0.000 0.430 415 G N 1.219 110.099 108.800 0.134 0.000 3.039 415 G HA2 0.570 4.529 3.960 -0.001 0.000 0.159 415 G HA3 0.570 4.529 3.960 -0.001 0.000 0.159 415 G C 0.595 175.578 174.900 0.137 0.000 1.284 415 G CA 0.388 45.550 45.100 0.104 0.000 0.996 415 G HN 0.534 nan 8.290 nan 0.000 0.592 416 A N -1.452 121.422 122.820 0.090 0.000 1.942 416 A HA 0.407 4.727 4.320 -0.001 0.000 0.209 416 A C 2.216 179.830 177.584 0.049 0.000 1.214 416 A CA 1.743 53.822 52.037 0.070 0.000 0.686 416 A CB -0.396 18.629 19.000 0.042 0.000 0.871 416 A HN 1.007 nan 8.150 nan 0.000 0.460 417 G N -0.853 107.976 108.800 0.049 0.000 2.796 417 G HA2 0.378 4.338 3.960 -0.001 0.000 0.210 417 G HA3 0.378 4.338 3.960 -0.001 0.000 0.210 417 G C 0.454 175.378 174.900 0.039 0.000 1.146 417 G CA 1.077 46.197 45.100 0.034 0.000 0.779 417 G HN 1.107 nan 8.290 nan 0.000 0.535 418 S N -1.604 114.136 115.700 0.066 0.000 2.565 418 S HA 0.517 4.986 4.470 -0.001 0.000 0.269 418 S C -1.160 173.506 174.600 0.110 0.000 1.153 418 S CA -0.597 57.650 58.200 0.079 0.000 0.835 418 S CB 1.672 64.935 63.200 0.104 0.000 1.122 418 S HN -0.095 nan 8.310 nan 0.000 0.462 419 T N 2.726 117.343 114.554 0.105 0.000 2.738 419 T HA 0.476 4.826 4.350 -0.001 0.000 0.298 419 T C -1.239 173.508 174.700 0.078 0.000 0.962 419 T CA -0.220 61.956 62.100 0.127 0.000 0.972 419 T CB 0.202 69.150 68.868 0.134 0.000 0.928 419 T HN 0.524 nan 8.240 nan 0.000 0.474 420 D N 2.550 122.982 120.400 0.053 0.000 2.168 420 D HA 0.636 5.275 4.640 -0.001 0.000 0.246 420 D C -0.458 175.805 176.300 -0.063 0.000 1.050 420 D CA -0.319 53.658 54.000 -0.038 0.000 0.857 420 D CB 1.691 42.482 40.800 -0.015 0.000 1.169 420 D HN 0.595 nan 8.370 nan 0.000 0.453 421 A N 1.230 123.978 122.820 -0.120 0.000 2.393 421 A HA 0.741 5.061 4.320 -0.001 0.000 0.306 421 A C -0.616 176.906 177.584 -0.103 0.000 1.050 421 A CA -0.547 51.441 52.037 -0.082 0.000 0.724 421 A CB 1.381 20.347 19.000 -0.055 0.000 1.248 421 A HN 0.357 nan 8.150 nan 0.000 0.424 422 S N 0.454 116.114 115.700 -0.067 0.000 2.564 422 S HA 0.767 5.237 4.470 -0.001 0.000 0.274 422 S C -1.092 173.488 174.600 -0.033 0.000 1.124 422 S CA -0.391 57.775 58.200 -0.055 0.000 0.869 422 S CB 1.637 64.808 63.200 -0.047 0.000 1.105 422 S HN 0.920 nan 8.310 nan 0.000 0.472 423 I N 2.134 122.688 120.570 -0.026 0.000 2.802 423 I HA 0.656 4.825 4.170 -0.001 0.000 0.298 423 I C -1.828 174.282 176.117 -0.011 0.000 1.176 423 I CA -0.989 60.302 61.300 -0.016 0.000 1.025 423 I CB 1.497 39.487 38.000 -0.016 0.000 1.243 423 I HN 0.757 nan 8.210 nan 0.000 0.424 424 I N 6.495 127.060 120.570 -0.007 0.000 2.545 424 I HA 0.444 4.614 4.170 -0.001 0.000 0.292 424 I C -1.145 174.968 176.117 -0.006 0.000 1.040 424 I CA -0.516 60.779 61.300 -0.007 0.000 1.068 424 I CB 1.608 39.602 38.000 -0.010 0.000 1.251 424 I HN 0.747 nan 8.210 nan 0.000 0.424 425 N N 7.815 126.512 118.700 -0.006 0.000 2.476 425 N HA 0.525 5.265 4.740 -0.001 0.000 0.276 425 N C -2.257 173.247 175.510 -0.009 0.000 1.204 425 N CA -1.976 51.071 53.050 -0.004 0.000 0.974 425 N CB 0.180 38.666 38.487 -0.002 0.000 1.204 425 N HN 0.253 nan 8.380 nan 0.000 0.543 426 P HA -0.251 nan 4.420 nan 0.000 0.216 426 P C 0.989 178.282 177.300 -0.012 0.000 1.150 426 P CA 1.728 64.819 63.100 -0.014 0.000 0.843 426 P CB 0.279 31.972 31.700 -0.012 0.000 0.787 427 K N -0.386 120.009 120.400 -0.008 0.000 2.152 427 K HA -0.112 4.208 4.320 -0.001 0.000 0.206 427 K C 1.342 177.938 176.600 -0.007 0.000 1.048 427 K CA 1.854 58.137 56.287 -0.007 0.000 0.933 427 K CB -0.575 31.922 32.500 -0.005 0.000 0.721 427 K HN 0.278 nan 8.250 nan 0.000 0.447 428 G N 0.941 109.737 108.800 -0.007 0.000 2.175 428 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.182 428 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.182 428 G C -0.745 174.153 174.900 -0.003 0.000 1.003 428 G CA 0.011 45.107 45.100 -0.006 0.000 0.666 428 G HN 0.358 nan 8.290 nan 0.000 0.506 429 D N 0.359 120.757 120.400 -0.003 0.000 2.372 429 D HA 0.526 5.166 4.640 -0.001 0.000 0.243 429 D C 0.712 177.011 176.300 -0.002 0.000 1.121 429 D CA 0.500 54.500 54.000 -0.001 0.000 0.898 429 D CB 1.304 42.104 40.800 -0.001 0.000 1.202 429 D HN 0.329 nan 8.370 nan 0.000 0.428 430 I N 2.090 122.660 120.570 0.000 0.000 2.498 430 I HA 0.357 4.527 4.170 -0.001 0.000 0.290 430 I C -0.179 175.937 176.117 -0.002 0.000 1.032 430 I CA -0.699 60.600 61.300 -0.002 0.000 1.073 430 I CB 1.759 39.760 38.000 0.001 0.000 1.251 430 I HN 0.053 nan 8.210 nan 0.000 0.426 431 I N 5.041 125.606 120.570 -0.009 0.000 2.474 431 I HA 0.728 4.898 4.170 -0.001 0.000 0.294 431 I C -0.178 175.923 176.117 -0.028 0.000 1.005 431 I CA -0.485 60.808 61.300 -0.012 0.000 1.113 431 I CB 2.021 40.014 38.000 -0.012 0.000 1.289 431 I HN 0.620 nan 8.210 nan 0.000 0.436 432 A N 3.867 126.666 122.820 -0.035 0.000 2.475 432 A HA 0.866 5.186 4.320 -0.001 0.000 0.301 432 A C -0.694 176.819 177.584 -0.118 0.000 1.059 432 A CA -0.531 51.452 52.037 -0.089 0.000 0.710 432 A CB 2.234 21.183 19.000 -0.085 0.000 1.288 432 A HN 0.602 nan 8.150 nan 0.000 0.408 433 T N -0.084 114.330 114.554 -0.233 0.000 2.864 433 T HA 0.688 5.038 4.350 -0.001 0.000 0.299 433 T C -1.763 172.687 174.700 -0.418 0.000 1.166 433 T CA -0.428 61.558 62.100 -0.189 0.000 1.007 433 T CB 0.990 69.823 68.868 -0.058 0.000 1.219 433 T HN 0.774 nan 8.240 nan 0.000 0.506 434 H N 1.016 120.098 119.070 0.020 0.000 2.667 434 H HA 0.713 5.269 4.556 -0.001 0.000 0.353 434 H C -1.092 174.248 175.328 0.020 0.000 1.072 434 H CA -0.569 55.493 56.048 0.023 0.000 1.214 434 H CB 1.219 30.995 29.762 0.024 0.000 1.600 434 H HN 0.267 nan 8.280 nan 0.000 0.527 435 L N 1.630 122.923 121.223 0.116 0.000 2.342 435 L HA 0.693 5.032 4.340 -0.001 0.000 0.271 435 L C 0.260 177.164 176.870 0.056 0.000 1.008 435 L CA -0.793 54.088 54.840 0.069 0.000 0.818 435 L CB 1.755 43.838 42.059 0.040 0.000 1.296 435 L HN 0.826 nan 8.230 nan 0.000 0.427 436 A N 1.434 124.274 122.820 0.033 0.000 2.462 436 A HA 0.602 4.922 4.320 -0.001 0.000 0.243 436 A C 0.551 178.121 177.584 -0.024 0.000 1.076 436 A CA 0.512 52.555 52.037 0.010 0.000 0.773 436 A CB -0.324 18.679 19.000 0.005 0.000 1.010 436 A HN 1.263 nan 8.150 nan 0.000 0.493 437 G N 0.064 108.836 108.800 -0.048 0.000 3.445 437 G HA2 0.541 4.500 3.960 -0.001 0.000 0.686 437 G HA3 0.541 4.500 3.960 -0.001 0.000 0.686 437 G C -0.323 174.462 174.900 -0.191 0.000 1.113 437 G CA 0.069 45.097 45.100 -0.121 0.000 0.974 437 G HN 2.387 nan 8.290 nan 0.000 0.492 438 A N 1.397 124.084 122.820 -0.222 0.000 5.139 438 A HA 0.990 5.310 4.320 -0.001 0.000 0.164 438 A C 1.902 179.370 177.584 -0.193 0.000 0.803 438 A CA 0.958 52.847 52.037 -0.246 0.000 1.038 438 A CB -0.559 18.491 19.000 0.082 0.000 2.123 438 A HN 2.219 nan 8.150 nan 0.000 0.998 439 G N 0.017 108.883 108.800 0.111 0.000 2.440 439 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.218 439 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.218 439 G C 0.685 175.593 174.900 0.013 0.000 1.154 439 G CA 1.771 46.950 45.100 0.132 0.000 0.767 439 G HN 0.559 nan 8.290 nan 0.000 0.552 440 D N -0.098 120.295 120.400 -0.013 0.000 2.178 440 D HA -0.078 4.561 4.640 -0.001 0.000 0.202 440 D C 2.278 178.543 176.300 -0.059 0.000 0.974 440 D CA 0.627 54.605 54.000 -0.037 0.000 0.841 440 D CB -0.234 40.546 40.800 -0.033 0.000 0.953 440 D HN 0.346 nan 8.370 nan 0.000 0.478 441 M N 0.358 119.906 119.600 -0.086 0.000 2.156 441 M HA -0.135 4.345 4.480 -0.001 0.000 0.264 441 M C 1.918 178.156 176.300 -0.103 0.000 1.067 441 M CA 0.937 56.176 55.300 -0.102 0.000 1.131 441 M CB 0.158 32.677 32.600 -0.135 0.000 1.368 441 M HN -0.169 nan 8.290 nan 0.000 0.416 442 V N 0.366 120.205 119.914 -0.125 0.000 2.287 442 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 442 V C 2.270 178.342 176.094 -0.036 0.000 1.053 442 V CA 2.416 64.668 62.300 -0.081 0.000 1.027 442 V CB -1.304 30.498 31.823 -0.034 0.000 0.646 442 V HN 0.551 nan 8.190 nan 0.000 0.447 443 T N -0.372 114.165 114.554 -0.028 0.000 2.720 443 T HA -0.273 4.076 4.350 -0.001 0.000 0.268 443 T C 1.833 176.513 174.700 -0.032 0.000 1.037 443 T CA 2.177 64.263 62.100 -0.023 0.000 1.144 443 T CB -0.292 68.555 68.868 -0.035 0.000 0.864 443 T HN 0.411 nan 8.240 nan 0.000 0.444 444 M N 0.336 119.910 119.600 -0.044 0.000 2.132 444 M HA -0.025 4.454 4.480 -0.001 0.000 0.263 444 M C 2.015 178.296 176.300 -0.031 0.000 1.065 444 M CA 1.613 56.888 55.300 -0.041 0.000 1.122 444 M CB -0.267 32.305 32.600 -0.046 0.000 1.365 444 M HN 0.223 nan 8.290 nan 0.000 0.411 445 I N 0.273 120.822 120.570 -0.034 0.000 2.226 445 I HA -0.327 3.843 4.170 -0.001 0.000 0.245 445 I C 2.197 178.305 176.117 -0.014 0.000 1.100 445 I CA 1.267 62.551 61.300 -0.027 0.000 1.374 445 I CB -0.392 37.587 38.000 -0.035 0.000 1.057 445 I HN 0.334 nan 8.210 nan 0.000 0.413 446 I N 0.729 121.293 120.570 -0.010 0.000 2.179 446 I HA -0.290 3.880 4.170 -0.001 0.000 0.242 446 I C 2.841 178.959 176.117 0.002 0.000 1.088 446 I CA 1.333 62.634 61.300 0.002 0.000 1.357 446 I CB -0.511 37.496 38.000 0.012 0.000 1.051 446 I HN 0.184 nan 8.210 nan 0.000 0.409 447 A N 0.846 123.663 122.820 -0.005 0.000 1.865 447 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 447 A C 2.393 179.971 177.584 -0.009 0.000 1.191 447 A CA 1.577 53.611 52.037 -0.006 0.000 0.623 447 A CB -0.451 18.541 19.000 -0.014 0.000 0.826 447 A HN 0.248 nan 8.150 nan 0.000 0.444 448 R N -0.232 120.262 120.500 -0.011 0.000 2.090 448 R HA -0.021 4.318 4.340 -0.001 0.000 0.228 448 R C 1.828 178.125 176.300 -0.004 0.000 1.110 448 R CA 1.321 57.415 56.100 -0.010 0.000 0.973 448 R CB -0.670 29.623 30.300 -0.011 0.000 0.869 448 R HN 0.724 nan 8.270 nan 0.000 0.440 449 E N 0.242 120.443 120.200 0.001 0.000 2.274 449 E HA -0.086 4.264 4.350 -0.001 0.000 0.194 449 E C 1.138 177.745 176.600 0.011 0.000 0.996 449 E CA 0.454 56.860 56.400 0.010 0.000 0.840 449 E CB 0.129 29.836 29.700 0.012 0.000 0.772 449 E HN 0.011 nan 8.360 nan 0.000 0.491 450 L N -0.485 120.739 121.223 0.002 0.000 2.567 450 L HA 0.176 4.515 4.340 -0.001 0.000 0.225 450 L C 1.267 178.120 176.870 -0.028 0.000 1.119 450 L CA 0.888 55.726 54.840 -0.003 0.000 0.871 450 L CB -0.121 41.940 42.059 0.003 0.000 1.036 450 L HN 0.183 nan 8.230 nan 0.000 0.459 451 G N -0.076 108.704 108.800 -0.033 0.000 2.176 451 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.252 451 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.252 451 G C 0.065 174.935 174.900 -0.050 0.000 1.024 451 G CA 0.073 45.137 45.100 -0.060 0.000 0.755 451 G HN 0.153 nan 8.290 nan 0.000 0.507 452 L N -0.131 121.076 121.223 -0.027 0.000 2.349 452 L HA 0.565 4.904 4.340 -0.001 0.000 0.275 452 L C 1.413 178.277 176.870 -0.010 0.000 1.115 452 L CA 0.167 54.998 54.840 -0.015 0.000 0.820 452 L CB 1.558 43.617 42.059 -0.000 0.000 1.135 452 L HN 0.320 nan 8.230 nan 0.000 0.445 453 E N 0.955 121.152 120.200 -0.004 0.000 2.190 453 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 453 E C -0.066 176.549 176.600 0.026 0.000 0.978 453 E CA 0.481 56.883 56.400 0.004 0.000 0.839 453 E CB 0.218 29.918 29.700 0.001 0.000 0.787 453 E HN 0.538 nan 8.360 nan 0.000 0.473 454 D N -0.054 120.370 120.400 0.040 0.000 2.380 454 D HA 0.088 4.727 4.640 -0.001 0.000 0.230 454 D C 0.677 177.030 176.300 0.087 0.000 1.154 454 D CA -0.150 53.901 54.000 0.086 0.000 0.859 454 D CB 0.775 41.628 40.800 0.087 0.000 1.045 454 D HN -0.086 nan 8.370 nan 0.000 0.495 455 R N 2.908 123.452 120.500 0.073 0.000 2.189 455 R HA -0.116 4.224 4.340 -0.001 0.000 0.223 455 R C 1.012 177.267 176.300 -0.076 0.000 1.092 455 R CA 1.431 57.513 56.100 -0.030 0.000 0.989 455 R CB -0.395 29.840 30.300 -0.108 0.000 0.876 455 R HN 0.523 nan 8.270 nan 0.000 0.457 456 Y N -0.828 119.482 120.300 0.016 0.000 2.263 456 Y HA -0.116 4.434 4.550 -0.001 0.000 0.292 456 Y C 1.793 177.714 175.900 0.035 0.000 1.130 456 Y CA 1.100 59.215 58.100 0.026 0.000 1.179 456 Y CB -0.259 38.212 38.460 0.018 0.000 0.998 456 Y HN 0.083 nan 8.280 nan 0.000 0.532 457 L N 0.157 121.480 121.223 0.167 0.000 2.056 457 L HA -0.094 4.246 4.340 -0.001 0.000 0.207 457 L C 2.349 179.269 176.870 0.083 0.000 1.078 457 L CA 1.932 56.835 54.840 0.105 0.000 0.749 457 L CB -1.106 40.995 42.059 0.071 0.000 0.901 457 L HN 0.118 nan 8.230 nan 0.000 0.433 458 A N -0.617 122.237 122.820 0.056 0.000 1.940 458 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 458 A C 2.255 179.869 177.584 0.049 0.000 1.176 458 A CA 1.769 53.830 52.037 0.039 0.000 0.631 458 A CB -0.719 18.287 19.000 0.010 0.000 0.814 458 A HN 0.587 nan 8.150 nan 0.000 0.446 459 E N 0.371 120.594 120.200 0.038 0.000 2.110 459 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 459 E C 1.804 178.480 176.600 0.127 0.000 0.988 459 E CA 1.789 58.218 56.400 0.048 0.000 0.804 459 E CB -0.266 29.434 29.700 -0.001 0.000 0.745 459 E HN 0.730 nan 8.360 nan 0.000 0.458 460 E N -0.013 120.292 120.200 0.176 0.000 2.072 460 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 460 E C 2.206 178.984 176.600 0.297 0.000 0.985 460 E CA 1.198 57.776 56.400 0.296 0.000 0.801 460 E CB -0.149 29.670 29.700 0.198 0.000 0.750 460 E HN 0.380 nan 8.360 nan 0.000 0.452 461 I N 1.447 122.125 120.570 0.180 0.000 2.286 461 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 461 I C 2.594 178.809 176.117 0.163 0.000 1.115 461 I CA 1.095 62.491 61.300 0.161 0.000 1.392 461 I CB -0.232 37.829 38.000 0.102 0.000 1.065 461 I HN 0.045 nan 8.210 nan 0.000 0.418 462 K N 1.543 122.015 120.400 0.120 0.000 2.063 462 K HA -0.208 4.112 4.320 -0.001 0.000 0.208 462 K C 1.913 178.563 176.600 0.084 0.000 1.048 462 K CA 1.648 57.981 56.287 0.077 0.000 0.928 462 K CB 0.086 32.617 32.500 0.050 0.000 0.713 462 K HN 0.274 nan 8.250 nan 0.000 0.442 463 K N -1.273 119.190 120.400 0.105 0.000 2.334 463 K HA 0.050 4.370 4.320 -0.001 0.000 0.195 463 K C -0.282 176.337 176.600 0.031 0.000 1.045 463 K CA 0.205 56.480 56.287 -0.021 0.000 1.004 463 K CB 0.471 32.817 32.500 -0.255 0.000 0.837 463 K HN 0.030 nan 8.250 nan 0.000 0.510 464 Y N 1.529 121.984 120.300 0.259 0.000 2.376 464 Y HA 0.268 4.818 4.550 -0.001 0.000 0.340 464 Y C -2.290 173.691 175.900 0.135 0.000 0.965 464 Y CA -3.146 55.047 58.100 0.155 0.000 1.078 464 Y CB 1.133 39.641 38.460 0.080 0.000 1.193 464 Y HN -0.068 nan 8.280 nan 0.000 0.452 465 P HA 0.112 nan 4.420 nan 0.000 0.271 465 P C -0.647 176.717 177.300 0.106 0.000 1.233 465 P CA -0.026 63.074 63.100 -0.000 0.000 0.789 465 P CB 1.220 32.736 31.700 -0.308 0.000 0.951 466 L N 0.271 121.560 121.223 0.109 0.000 2.400 466 L HA 0.753 5.092 4.340 -0.001 0.000 0.264 466 L C 0.648 177.566 176.870 0.080 0.000 1.061 466 L CA -0.814 54.079 54.840 0.089 0.000 0.799 466 L CB 1.032 43.138 42.059 0.079 0.000 1.240 466 L HN 0.429 nan 8.230 nan 0.000 0.461 467 A N 0.799 123.636 122.820 0.027 0.000 2.527 467 A HA 0.726 5.045 4.320 -0.001 0.000 0.293 467 A C -1.398 176.144 177.584 -0.070 0.000 1.117 467 A CA -0.609 51.408 52.037 -0.034 0.000 0.723 467 A CB 1.954 20.883 19.000 -0.120 0.000 1.313 467 A HN 0.406 nan 8.150 nan 0.000 0.411 468 K N 1.334 121.669 120.400 -0.107 0.000 2.265 468 K HA 0.498 4.818 4.320 -0.001 0.000 0.267 468 K C -1.067 175.408 176.600 -0.208 0.000 0.994 468 K CA -0.434 55.771 56.287 -0.137 0.000 0.860 468 K CB 1.093 33.522 32.500 -0.119 0.000 1.099 468 K HN 0.453 nan 8.250 nan 0.000 0.448 469 V N 5.288 125.066 119.914 -0.228 0.000 2.470 469 V HA 0.090 4.209 4.120 -0.001 0.000 0.276 469 V C 1.220 177.067 176.094 -0.411 0.000 1.040 469 V CA 0.323 62.445 62.300 -0.296 0.000 1.008 469 V CB 0.801 32.475 31.823 -0.248 0.000 0.990 469 V HN 0.752 nan 8.190 nan 0.000 0.477 470 E N 2.530 122.407 120.200 -0.539 0.000 2.473 470 E HA 0.161 4.511 4.350 -0.001 0.000 0.204 470 E C 0.537 176.880 176.600 -0.427 0.000 0.994 470 E CA 0.383 56.455 56.400 -0.547 0.000 0.945 470 E CB 0.929 30.262 29.700 -0.613 0.000 0.990 470 E HN 0.809 nan 8.360 nan 0.000 0.493 471 S N -1.266 114.236 115.700 -0.330 0.000 2.655 471 S HA 0.220 4.690 4.470 -0.001 0.000 0.266 471 S C 0.237 174.961 174.600 0.206 0.000 1.149 471 S CA -0.769 57.515 58.200 0.139 0.000 0.818 471 S CB 0.264 63.708 63.200 0.407 0.000 1.130 471 S HN 0.039 nan 8.310 nan 0.000 0.476 472 L N -0.220 121.183 121.223 0.300 0.000 2.549 472 L HA 0.200 4.540 4.340 -0.001 0.000 0.229 472 L C 0.624 177.297 176.870 -0.329 0.000 1.158 472 L CA 1.192 55.998 54.840 -0.057 0.000 0.842 472 L CB -0.597 41.306 42.059 -0.260 0.000 0.952 472 L HN 0.660 nan 8.230 nan 0.000 0.452 473 F N -2.099 117.993 119.950 0.237 0.000 2.781 473 F HA 0.200 4.727 4.527 -0.001 0.000 0.322 473 F C 0.661 176.637 175.800 0.294 0.000 1.108 473 F CA -0.661 57.526 58.000 0.310 0.000 1.179 473 F CB 0.547 39.753 39.000 0.344 0.000 1.072 473 F HN 0.103 nan 8.300 nan 0.000 0.545 474 H N -0.324 118.766 119.070 0.033 0.000 3.042 474 H HA 0.671 5.227 4.556 -0.001 0.000 0.346 474 H C -1.726 173.520 175.328 -0.135 0.000 1.294 474 H CA -1.473 54.406 56.048 -0.282 0.000 1.141 474 H CB 1.315 30.260 29.762 -1.362 0.000 1.872 474 H HN 0.027 nan 8.280 nan 0.000 0.541 475 L N -0.881 120.230 121.223 -0.187 0.000 2.303 475 L HA 0.746 5.085 4.340 -0.001 0.000 0.256 475 L C -0.419 176.290 176.870 -0.268 0.000 1.034 475 L CA -1.121 53.559 54.840 -0.267 0.000 0.832 475 L CB 2.005 43.981 42.059 -0.138 0.000 1.403 475 L HN 0.763 nan 8.230 nan 0.000 0.419 476 R N 0.427 120.782 120.500 -0.242 0.000 2.388 476 R HA 0.423 4.762 4.340 -0.001 0.000 0.314 476 R C -0.787 175.437 176.300 -0.128 0.000 0.959 476 R CA -0.567 55.446 56.100 -0.144 0.000 0.851 476 R CB 0.482 30.738 30.300 -0.074 0.000 1.168 476 R HN 0.787 nan 8.270 nan 0.000 0.472 477 H N 2.394 121.458 119.070 -0.009 0.000 2.913 477 H HA -0.080 4.476 4.556 -0.001 0.000 0.365 477 H C 0.945 176.269 175.328 -0.005 0.000 1.155 477 H CA 0.999 57.042 56.048 -0.008 0.000 1.417 477 H CB 1.024 30.780 29.762 -0.011 0.000 1.386 477 H HN 0.716 nan 8.280 nan 0.000 0.614 478 E N 0.792 121.075 120.200 0.138 0.000 2.204 478 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 478 E C 0.733 177.377 176.600 0.074 0.000 0.990 478 E CA 1.421 57.871 56.400 0.083 0.000 0.821 478 E CB -0.050 29.699 29.700 0.082 0.000 0.750 478 E HN 0.645 nan 8.360 nan 0.000 0.477 479 D N 0.071 120.514 120.400 0.072 0.000 2.378 479 D HA -0.003 4.637 4.640 -0.001 0.000 0.227 479 D C 1.436 177.770 176.300 0.056 0.000 1.012 479 D CA 0.987 55.014 54.000 0.045 0.000 0.905 479 D CB 0.321 41.123 40.800 0.003 0.000 0.895 479 D HN 0.425 nan 8.370 nan 0.000 0.532 480 G N -0.257 108.591 108.800 0.080 0.000 2.218 480 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 480 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 480 G C 0.365 175.316 174.900 0.085 0.000 0.994 480 G CA 0.229 45.370 45.100 0.069 0.000 0.637 480 G HN 0.819 nan 8.290 nan 0.000 0.505 481 S N -0.186 115.586 115.700 0.119 0.000 2.580 481 S HA 0.691 5.160 4.470 -0.001 0.000 0.274 481 S C 0.117 174.819 174.600 0.170 0.000 1.329 481 S CA -0.199 58.086 58.200 0.141 0.000 1.036 481 S CB 2.512 65.793 63.200 0.134 0.000 0.919 481 S HN 1.005 nan 8.310 nan 0.000 0.515 482 V N 2.588 122.579 119.914 0.127 0.000 2.483 482 V HA 0.520 4.639 4.120 -0.001 0.000 0.295 482 V C -0.313 175.816 176.094 0.058 0.000 1.035 482 V CA -0.552 61.796 62.300 0.080 0.000 0.896 482 V CB 1.531 33.440 31.823 0.143 0.000 0.986 482 V HN 0.957 nan 8.190 nan 0.000 0.447 483 Q N 3.343 123.088 119.800 -0.091 0.000 2.327 483 Q HA 0.540 4.880 4.340 -0.001 0.000 0.270 483 Q C -1.504 174.236 176.000 -0.432 0.000 1.022 483 Q CA -0.178 55.498 55.803 -0.212 0.000 0.773 483 Q CB 1.332 29.897 28.738 -0.289 0.000 1.251 483 Q HN 0.543 nan 8.270 nan 0.000 0.457 484 F N 3.172 122.932 119.950 -0.317 0.000 2.377 484 F HA 0.583 5.109 4.527 -0.001 0.000 0.328 484 F C -0.330 175.185 175.800 -0.475 0.000 1.094 484 F CA -0.116 57.749 58.000 -0.224 0.000 1.093 484 F CB 0.905 39.862 39.000 -0.071 0.000 1.214 484 F HN 0.481 nan 8.300 nan 0.000 0.518 485 F N -0.251 119.907 119.950 0.347 0.000 2.561 485 F HA 0.280 4.806 4.527 -0.001 0.000 0.321 485 F C 0.944 176.966 175.800 0.369 0.000 1.065 485 F CA -0.648 57.522 58.000 0.284 0.000 0.934 485 F CB 1.868 40.989 39.000 0.202 0.000 1.215 485 F HN 0.401 nan 8.300 nan 0.000 0.471 486 S N -1.556 114.407 115.700 0.439 0.000 2.486 486 S HA 0.061 4.531 4.470 -0.001 0.000 0.220 486 S C 0.537 175.383 174.600 0.411 0.000 1.011 486 S CA 0.433 58.825 58.200 0.319 0.000 0.921 486 S CB -0.545 62.763 63.200 0.181 0.000 0.785 486 S HN 0.694 nan 8.310 nan 0.000 0.517 487 T N 1.297 116.094 114.554 0.404 0.000 2.855 487 T HA 0.616 4.966 4.350 -0.001 0.000 0.281 487 T C -3.210 171.577 174.700 0.145 0.000 1.007 487 T CA -2.397 59.880 62.100 0.295 0.000 1.009 487 T CB 1.419 70.371 68.868 0.140 0.000 0.983 487 T HN -0.017 nan 8.240 nan 0.000 0.455 488 P HA 0.171 nan 4.420 nan 0.000 0.266 488 P C -0.263 176.814 177.300 -0.371 0.000 1.195 488 P CA -0.386 62.358 63.100 -0.593 0.000 0.768 488 P CB 0.574 31.986 31.700 -0.480 0.000 0.838 489 L N 4.798 125.769 121.223 -0.421 0.000 2.436 489 L HA 0.297 4.637 4.340 -0.001 0.000 0.265 489 L C -1.493 175.244 176.870 -0.222 0.000 1.168 489 L CA -2.031 52.611 54.840 -0.329 0.000 0.815 489 L CB -0.197 41.660 42.059 -0.338 0.000 1.109 489 L HN 0.296 nan 8.230 nan 0.000 0.462 490 P HA 0.103 nan 4.420 nan 0.000 0.269 490 P C -2.328 174.922 177.300 -0.084 0.000 1.209 490 P CA -1.342 61.685 63.100 -0.121 0.000 0.776 490 P CB 0.151 31.788 31.700 -0.104 0.000 0.876 491 P HA -0.147 nan 4.420 nan 0.000 0.219 491 P C 1.348 178.649 177.300 0.002 0.000 1.146 491 P CA 1.687 64.754 63.100 -0.055 0.000 0.808 491 P CB -0.352 31.296 31.700 -0.086 0.000 0.779 492 A N -0.486 122.320 122.820 -0.023 0.000 2.121 492 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 492 A C 1.984 179.562 177.584 -0.010 0.000 1.154 492 A CA 1.748 53.775 52.037 -0.016 0.000 0.679 492 A CB -1.285 17.695 19.000 -0.034 0.000 0.795 492 A HN 0.247 nan 8.150 nan 0.000 0.458 493 V N -4.933 114.971 119.914 -0.016 0.000 3.644 493 V HA 0.327 4.447 4.120 -0.001 0.000 0.267 493 V C 0.883 176.966 176.094 -0.018 0.000 1.277 493 V CA -0.483 61.793 62.300 -0.039 0.000 1.096 493 V CB -1.270 30.499 31.823 -0.091 0.000 0.828 493 V HN 0.280 nan 8.190 nan 0.000 0.446 494 F N 2.950 122.834 119.950 -0.112 0.000 2.580 494 F HA 0.380 4.907 4.527 -0.001 0.000 0.398 494 F C 1.329 177.078 175.800 -0.085 0.000 1.023 494 F CA 0.643 58.580 58.000 -0.106 0.000 1.188 494 F CB 0.083 39.028 39.000 -0.091 0.000 1.005 494 F HN 0.547 nan 8.300 nan 0.000 0.546 495 A N 3.663 126.023 122.820 -0.767 0.000 2.861 495 A HA -0.288 4.031 4.320 -0.001 0.000 0.261 495 A C 0.797 178.206 177.584 -0.291 0.000 1.351 495 A CA 1.337 52.984 52.037 -0.649 0.000 0.904 495 A CB -2.100 16.438 19.000 -0.770 0.000 1.076 495 A HN 0.778 nan 8.150 nan 0.000 0.729 496 R N -0.953 119.427 120.500 -0.201 0.000 2.674 496 R HA 0.577 4.917 4.340 -0.001 0.000 0.266 496 R C -0.032 176.202 176.300 -0.110 0.000 1.016 496 R CA -0.570 55.460 56.100 -0.117 0.000 1.062 496 R CB 1.270 31.526 30.300 -0.072 0.000 1.142 496 R HN 0.176 nan 8.270 nan 0.000 0.517 497 V N 1.792 121.663 119.914 -0.072 0.000 2.555 497 V HA 0.096 4.216 4.120 -0.001 0.000 0.286 497 V C 0.079 176.149 176.094 -0.040 0.000 1.044 497 V CA -0.020 62.250 62.300 -0.051 0.000 1.026 497 V CB 0.685 32.494 31.823 -0.024 0.000 0.981 497 V HN 0.772 nan 8.190 nan 0.000 0.480 498 C N 4.127 123.404 119.300 -0.038 0.000 2.707 498 C HA 0.619 5.079 4.460 -0.001 0.000 0.313 498 C C 0.091 175.079 174.990 -0.003 0.000 1.209 498 C CA -0.933 58.066 59.018 -0.032 0.000 1.635 498 C CB 1.830 29.535 27.740 -0.059 0.000 2.206 498 C HN 0.610 nan 8.230 nan 0.000 0.485 499 V N 2.484 122.399 119.914 0.001 0.000 2.530 499 V HA 0.233 4.353 4.120 -0.001 0.000 0.282 499 V C 0.042 176.121 176.094 -0.025 0.000 1.048 499 V CA -0.114 62.198 62.300 0.019 0.000 0.997 499 V CB 1.249 33.084 31.823 0.020 0.000 0.987 499 V HN 0.659 nan 8.190 nan 0.000 0.477 500 V N 6.564 126.486 119.914 0.013 0.000 2.339 500 V HA 0.301 4.420 4.120 -0.001 0.000 0.261 500 V C 0.406 176.432 176.094 -0.112 0.000 1.058 500 V CA -0.471 61.829 62.300 0.000 0.000 0.897 500 V CB 0.249 32.139 31.823 0.113 0.000 1.052 500 V HN 0.839 nan 8.190 nan 0.000 0.480 501 K N 2.731 122.984 120.400 -0.245 0.000 2.210 501 K HA 0.703 5.022 4.320 -0.001 0.000 0.236 501 K C 1.436 177.946 176.600 -0.150 0.000 1.016 501 K CA -0.204 55.824 56.287 -0.432 0.000 0.913 501 K CB 1.329 33.494 32.500 -0.558 0.000 1.141 501 K HN 0.479 nan 8.250 nan 0.000 0.462 502 A N 1.266 124.029 122.820 -0.095 0.000 1.892 502 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 502 A C 1.503 179.081 177.584 -0.009 0.000 1.188 502 A CA 2.370 54.406 52.037 -0.002 0.000 0.631 502 A CB -0.566 18.453 19.000 0.031 0.000 0.822 502 A HN 0.920 nan 8.150 nan 0.000 0.447 503 D N -0.789 119.588 120.400 -0.039 0.000 2.355 503 D HA 0.031 4.671 4.640 -0.001 0.000 0.206 503 D C 0.530 176.804 176.300 -0.043 0.000 1.010 503 D CA 0.764 54.747 54.000 -0.027 0.000 0.875 503 D CB -0.075 40.709 40.800 -0.028 0.000 0.966 503 D HN 0.769 nan 8.370 nan 0.000 0.512 504 E N 0.227 120.384 120.200 -0.072 0.000 2.433 504 E HA 0.537 4.887 4.350 -0.001 0.000 0.278 504 E C -1.144 175.399 176.600 -0.094 0.000 0.976 504 E CA -0.998 55.352 56.400 -0.083 0.000 0.793 504 E CB 1.715 31.364 29.700 -0.085 0.000 1.311 504 E HN -0.093 nan 8.360 nan 0.000 0.460 505 L N 1.552 122.715 121.223 -0.101 0.000 2.264 505 L HA 0.424 4.764 4.340 -0.001 0.000 0.289 505 L C -0.743 176.074 176.870 -0.088 0.000 1.044 505 L CA -1.237 53.545 54.840 -0.096 0.000 0.807 505 L CB 1.436 43.423 42.059 -0.119 0.000 1.192 505 L HN 0.373 nan 8.230 nan 0.000 0.425 506 V N 5.143 125.011 119.914 -0.076 0.000 2.333 506 V HA 0.290 4.410 4.120 -0.001 0.000 0.274 506 V C -1.922 174.147 176.094 -0.042 0.000 1.028 506 V CA -1.707 60.558 62.300 -0.057 0.000 0.851 506 V CB 1.094 32.888 31.823 -0.048 0.000 1.000 506 V HN 0.591 nan 8.190 nan 0.000 0.456 507 P HA 0.237 nan 4.420 nan 0.000 0.275 507 P C -0.865 176.422 177.300 -0.021 0.000 1.227 507 P CA -0.376 62.702 63.100 -0.036 0.000 0.781 507 P CB 1.218 32.894 31.700 -0.039 0.000 0.906 508 L N 5.863 127.076 121.223 -0.018 0.000 2.334 508 L HA 0.465 4.805 4.340 -0.001 0.000 0.277 508 L C -1.527 175.334 176.870 -0.015 0.000 1.075 508 L CA -1.585 53.249 54.840 -0.010 0.000 0.804 508 L CB 0.134 42.192 42.059 -0.002 0.000 1.174 508 L HN 0.352 nan 8.230 nan 0.000 0.438 509 P HA 0.470 nan 4.420 nan 0.000 0.277 509 P C 0.049 177.335 177.300 -0.023 0.000 1.271 509 P CA -0.066 63.022 63.100 -0.020 0.000 0.795 509 P CB 0.895 32.581 31.700 -0.024 0.000 1.101 510 G N 0.840 109.624 108.800 -0.026 0.000 2.632 510 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.224 510 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.224 510 G C -0.568 174.327 174.900 -0.008 0.000 1.341 510 G CA 0.328 45.413 45.100 -0.026 0.000 0.880 510 G HN 0.778 nan 8.290 nan 0.000 0.566 511 D N -1.326 119.077 120.400 0.006 0.000 2.692 511 D HA 0.402 5.042 4.640 -0.001 0.000 0.290 511 D C 0.222 176.532 176.300 0.018 0.000 1.455 511 D CA -0.482 53.526 54.000 0.012 0.000 0.796 511 D CB -0.004 40.811 40.800 0.025 0.000 1.131 511 D HN 0.444 nan 8.370 nan 0.000 0.467 512 L N 1.639 122.873 121.223 0.017 0.000 2.416 512 L HA 0.532 4.872 4.340 -0.001 0.000 0.272 512 L C 0.828 177.703 176.870 0.010 0.000 1.161 512 L CA -0.292 54.562 54.840 0.022 0.000 0.845 512 L CB 0.863 42.937 42.059 0.025 0.000 1.119 512 L HN 0.251 nan 8.230 nan 0.000 0.464 513 A N 4.093 126.920 122.820 0.011 0.000 2.483 513 A HA 0.068 4.388 4.320 -0.001 0.000 0.238 513 A C 1.321 178.910 177.584 0.008 0.000 1.070 513 A CA 0.053 52.092 52.037 0.004 0.000 0.770 513 A CB -0.096 18.909 19.000 0.007 0.000 1.008 513 A HN 0.970 nan 8.150 nan 0.000 0.497 514 L N 0.174 121.398 121.223 0.003 0.000 2.081 514 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 514 L C 2.189 179.076 176.870 0.028 0.000 1.080 514 L CA 2.379 57.227 54.840 0.013 0.000 0.754 514 L CB -0.119 41.945 42.059 0.007 0.000 0.893 514 L HN 0.916 nan 8.230 nan 0.000 0.433 515 E N 0.163 120.377 120.200 0.025 0.000 2.152 515 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 515 E C 2.077 178.696 176.600 0.032 0.000 0.983 515 E CA 1.168 57.586 56.400 0.031 0.000 0.818 515 E CB 0.063 29.778 29.700 0.025 0.000 0.758 515 E HN 0.439 nan 8.360 nan 0.000 0.467 516 K N -0.500 119.917 120.400 0.028 0.000 2.062 516 K HA -0.048 4.271 4.320 -0.001 0.000 0.205 516 K C 2.048 178.668 176.600 0.033 0.000 1.051 516 K CA 1.242 57.547 56.287 0.030 0.000 0.941 516 K CB -0.044 32.474 32.500 0.030 0.000 0.719 516 K HN 0.024 nan 8.250 nan 0.000 0.440 517 V N 1.514 121.449 119.914 0.035 0.000 2.295 517 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 517 V C 2.427 178.550 176.094 0.049 0.000 1.049 517 V CA 1.709 64.032 62.300 0.040 0.000 1.024 517 V CB -0.527 31.320 31.823 0.040 0.000 0.648 517 V HN 0.318 nan 8.190 nan 0.000 0.447 518 R N 0.374 120.908 120.500 0.057 0.000 2.091 518 R HA -0.194 4.146 4.340 -0.001 0.000 0.238 518 R C 2.232 178.562 176.300 0.050 0.000 1.136 518 R CA 1.802 57.944 56.100 0.069 0.000 0.959 518 R CB -0.430 29.916 30.300 0.077 0.000 0.856 518 R HN 0.496 nan 8.270 nan 0.000 0.437 519 A N 0.617 123.461 122.820 0.039 0.000 1.930 519 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 519 A C 2.110 179.709 177.584 0.024 0.000 1.175 519 A CA 1.110 53.165 52.037 0.030 0.000 0.627 519 A CB -0.334 18.682 19.000 0.027 0.000 0.815 519 A HN 0.357 nan 8.150 nan 0.000 0.443 520 I N -1.020 119.566 120.570 0.026 0.000 2.252 520 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 520 I C 2.694 178.821 176.117 0.018 0.000 1.102 520 I CA 1.476 62.789 61.300 0.021 0.000 1.385 520 I CB -0.299 37.715 38.000 0.024 0.000 1.064 520 I HN 0.375 nan 8.210 nan 0.000 0.414 521 R N 1.270 121.785 120.500 0.025 0.000 2.083 521 R HA -0.180 4.160 4.340 -0.001 0.000 0.237 521 R C 2.472 178.770 176.300 -0.005 0.000 1.137 521 R CA 1.613 57.724 56.100 0.018 0.000 0.951 521 R CB -0.127 30.197 30.300 0.040 0.000 0.851 521 R HN 0.271 nan 8.270 nan 0.000 0.434 522 R N 0.037 120.535 120.500 -0.004 0.000 2.075 522 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 522 R C 2.532 178.830 176.300 -0.003 0.000 1.126 522 R CA 1.819 57.908 56.100 -0.018 0.000 0.963 522 R CB -0.245 30.051 30.300 -0.006 0.000 0.858 522 R HN 0.382 nan 8.270 nan 0.000 0.435 523 S N 0.486 116.189 115.700 0.005 0.000 2.428 523 S HA -0.019 4.450 4.470 -0.001 0.000 0.230 523 S C 2.185 176.785 174.600 0.001 0.000 1.014 523 S CA 0.780 58.983 58.200 0.006 0.000 0.957 523 S CB 0.010 63.214 63.200 0.008 0.000 0.784 523 S HN 0.338 nan 8.310 nan 0.000 0.499 524 A N 2.481 125.300 122.820 -0.002 0.000 1.877 524 A HA -0.042 4.278 4.320 -0.001 0.000 0.216 524 A C 2.263 179.837 177.584 -0.016 0.000 1.186 524 A CA 1.570 53.598 52.037 -0.015 0.000 0.620 524 A CB -0.607 18.385 19.000 -0.013 0.000 0.822 524 A HN 0.592 nan 8.150 nan 0.000 0.443 525 K N -0.616 119.796 120.400 0.019 0.000 2.097 525 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 525 K C 2.115 178.778 176.600 0.105 0.000 1.049 525 K CA 1.487 57.834 56.287 0.099 0.000 0.933 525 K CB -0.109 32.444 32.500 0.088 0.000 0.717 525 K HN 0.695 nan 8.250 nan 0.000 0.442 526 E N 1.076 121.306 120.200 0.050 0.000 2.047 526 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 526 E C 1.970 178.587 176.600 0.028 0.000 0.987 526 E CA 1.000 57.428 56.400 0.048 0.000 0.799 526 E CB 0.189 29.905 29.700 0.028 0.000 0.752 526 E HN 0.170 nan 8.360 nan 0.000 0.449 527 R N -0.265 120.233 120.500 -0.002 0.000 2.148 527 R HA -0.081 4.258 4.340 -0.001 0.000 0.227 527 R C 2.230 178.495 176.300 -0.059 0.000 1.103 527 R CA 1.004 57.091 56.100 -0.023 0.000 0.983 527 R CB 0.105 30.387 30.300 -0.029 0.000 0.874 527 R HN 0.129 nan 8.270 nan 0.000 0.451 528 V N -0.607 119.237 119.914 -0.116 0.000 2.341 528 V HA -0.087 4.033 4.120 -0.001 0.000 0.240 528 V C 1.575 177.537 176.094 -0.220 0.000 1.035 528 V CA 1.422 63.566 62.300 -0.258 0.000 1.033 528 V CB -0.296 31.221 31.823 -0.509 0.000 0.678 528 V HN 0.092 nan 8.190 nan 0.000 0.464 529 F N -0.314 119.626 119.950 -0.016 0.000 2.335 529 F HA 0.054 4.580 4.527 -0.001 0.000 0.296 529 F C 2.165 177.959 175.800 -0.010 0.000 1.091 529 F CA 0.615 58.605 58.000 -0.017 0.000 1.399 529 F CB -0.626 38.358 39.000 -0.027 0.000 1.067 529 F HN -0.111 nan 8.300 nan 0.000 0.520 530 V N -0.640 119.376 119.914 0.169 0.000 2.358 530 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 530 V C 2.266 178.407 176.094 0.079 0.000 1.047 530 V CA 2.344 64.709 62.300 0.107 0.000 1.035 530 V CB -1.022 30.850 31.823 0.082 0.000 0.658 530 V HN 0.321 nan 8.190 nan 0.000 0.452 531 T N 0.404 114.989 114.554 0.053 0.000 2.684 531 T HA -0.192 4.158 4.350 -0.001 0.000 0.267 531 T C 1.857 176.576 174.700 0.031 0.000 1.036 531 T CA 1.836 63.955 62.100 0.031 0.000 1.148 531 T CB -0.366 68.504 68.868 0.003 0.000 0.863 531 T HN 0.362 nan 8.240 nan 0.000 0.436 532 N N 0.931 119.650 118.700 0.033 0.000 2.270 532 N HA 0.116 4.856 4.740 -0.001 0.000 0.181 532 N C 2.027 177.570 175.510 0.055 0.000 1.016 532 N CA 1.006 54.079 53.050 0.038 0.000 0.870 532 N CB -0.505 38.002 38.487 0.033 0.000 0.979 532 N HN 0.408 nan 8.380 nan 0.000 0.431 533 A N 1.042 123.910 122.820 0.080 0.000 1.883 533 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 533 A C 2.297 179.888 177.584 0.011 0.000 1.186 533 A CA 1.010 53.077 52.037 0.050 0.000 0.624 533 A CB -0.738 18.296 19.000 0.055 0.000 0.822 533 A HN 0.236 nan 8.150 nan 0.000 0.444 534 L N -1.267 119.969 121.223 0.021 0.000 2.056 534 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 534 L C 2.876 179.745 176.870 -0.002 0.000 1.078 534 L CA 1.442 56.286 54.840 0.006 0.000 0.749 534 L CB -0.532 41.555 42.059 0.047 0.000 0.901 534 L HN 0.343 nan 8.230 nan 0.000 0.433 535 R N 0.104 120.611 120.500 0.011 0.000 2.083 535 R HA -0.163 4.177 4.340 -0.001 0.000 0.237 535 R C 2.460 178.758 176.300 -0.004 0.000 1.137 535 R CA 1.526 57.630 56.100 0.006 0.000 0.951 535 R CB -0.577 29.730 30.300 0.011 0.000 0.851 535 R HN 0.366 nan 8.270 nan 0.000 0.434 536 A N 1.130 123.948 122.820 -0.003 0.000 1.898 536 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 536 A C 2.202 179.768 177.584 -0.030 0.000 1.181 536 A CA 1.107 53.137 52.037 -0.012 0.000 0.620 536 A CB -0.520 18.477 19.000 -0.004 0.000 0.819 536 A HN 0.173 nan 8.150 nan 0.000 0.442 537 L N -1.199 119.997 121.223 -0.044 0.000 2.093 537 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 537 L C 2.800 179.628 176.870 -0.070 0.000 1.085 537 L CA 1.251 56.048 54.840 -0.071 0.000 0.755 537 L CB -0.444 41.546 42.059 -0.115 0.000 0.904 537 L HN 0.355 nan 8.230 nan 0.000 0.435 538 R N -0.524 119.941 120.500 -0.058 0.000 2.148 538 R HA -0.136 4.203 4.340 -0.001 0.000 0.227 538 R C 2.258 178.542 176.300 -0.027 0.000 1.103 538 R CA 0.882 56.957 56.100 -0.043 0.000 0.983 538 R CB -0.113 30.172 30.300 -0.024 0.000 0.874 538 R HN 0.485 nan 8.270 nan 0.000 0.451 539 Q N -0.002 119.784 119.800 -0.023 0.000 2.137 539 Q HA -0.074 4.265 4.340 -0.001 0.000 0.198 539 Q C 1.989 177.978 176.000 -0.020 0.000 0.960 539 Q CA 1.588 57.381 55.803 -0.016 0.000 0.847 539 Q CB 0.380 29.111 28.738 -0.011 0.000 0.915 539 Q HN 0.329 nan 8.270 nan 0.000 0.448 540 V N -2.940 116.957 119.914 -0.028 0.000 3.650 540 V HA 0.169 4.289 4.120 -0.001 0.000 0.271 540 V C 0.842 176.920 176.094 -0.027 0.000 1.281 540 V CA -0.223 62.060 62.300 -0.028 0.000 1.120 540 V CB 0.640 32.442 31.823 -0.035 0.000 0.856 540 V HN 0.000 nan 8.190 nan 0.000 0.443 541 S N 2.845 118.525 115.700 -0.033 0.000 2.537 541 S HA 0.224 4.693 4.470 -0.001 0.000 0.286 541 S C -0.416 174.172 174.600 -0.020 0.000 1.299 541 S CA -0.402 57.778 58.200 -0.033 0.000 1.067 541 S CB 0.984 64.157 63.200 -0.046 0.000 0.864 541 S HN 0.501 nan 8.310 nan 0.000 0.494 542 P HA -0.090 nan 4.420 nan 0.000 0.221 542 P C 1.099 178.396 177.300 -0.006 0.000 1.145 542 P CA 1.423 64.518 63.100 -0.008 0.000 0.795 542 P CB -0.307 31.391 31.700 -0.004 0.000 0.775 543 T N -6.355 108.194 114.554 -0.007 0.000 3.014 543 T HA 0.409 4.759 4.350 -0.001 0.000 0.250 543 T C 1.581 176.279 174.700 -0.004 0.000 1.060 543 T CA 0.690 62.788 62.100 -0.003 0.000 1.040 543 T CB -0.342 68.526 68.868 -0.000 0.000 0.971 543 T HN 0.217 nan 8.240 nan 0.000 0.497 544 G N 1.410 110.203 108.800 -0.010 0.000 2.175 544 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.244 544 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.244 544 G C -0.216 174.677 174.900 -0.012 0.000 0.982 544 G CA -0.104 44.990 45.100 -0.009 0.000 0.641 544 G HN 0.692 nan 8.290 nan 0.000 0.527 545 N N -0.535 118.155 118.700 -0.016 0.000 2.321 545 N HA 0.618 5.358 4.740 -0.001 0.000 0.299 545 N C 1.289 176.758 175.510 -0.069 0.000 1.048 545 N CA -0.917 52.123 53.050 -0.017 0.000 0.836 545 N CB 1.781 40.278 38.487 0.016 0.000 1.269 545 N HN -0.012 nan 8.380 nan 0.000 0.486 546 I N 1.139 121.621 120.570 -0.146 0.000 2.493 546 I HA -0.188 3.981 4.170 -0.001 0.000 0.254 546 I C 1.878 177.813 176.117 -0.304 0.000 1.160 546 I CA 1.002 62.098 61.300 -0.341 0.000 1.445 546 I CB -0.170 37.380 38.000 -0.751 0.000 1.086 546 I HN 0.424 nan 8.210 nan 0.000 0.433 547 R N 0.751 121.192 120.500 -0.097 0.000 2.293 547 R HA -0.122 4.217 4.340 -0.001 0.000 0.219 547 R C 0.609 176.907 176.300 -0.002 0.000 1.091 547 R CA 0.825 56.955 56.100 0.050 0.000 1.004 547 R CB -0.250 30.135 30.300 0.141 0.000 0.865 547 R HN 0.437 nan 8.270 nan 0.000 0.469 548 D N 0.111 120.489 120.400 -0.036 0.000 2.395 548 D HA 0.131 4.771 4.640 -0.001 0.000 0.213 548 D C 0.020 176.302 176.300 -0.029 0.000 1.110 548 D CA 0.222 54.210 54.000 -0.020 0.000 0.835 548 D CB 0.601 41.394 40.800 -0.011 0.000 0.965 548 D HN 0.164 nan 8.370 nan 0.000 0.505 549 I N 3.002 123.534 120.570 -0.064 0.000 2.307 549 I HA 0.127 4.297 4.170 -0.001 0.000 0.289 549 I C -1.324 174.765 176.117 -0.047 0.000 1.021 549 I CA -1.723 59.546 61.300 -0.051 0.000 1.224 549 I CB 2.144 40.090 38.000 -0.090 0.000 1.376 549 I HN -0.273 nan 8.210 nan 0.000 0.470 550 P HA 0.031 nan 4.420 nan 0.000 0.217 550 P C 0.041 177.240 177.300 -0.168 0.000 1.154 550 P CA 1.053 64.147 63.100 -0.011 0.000 0.841 550 P CB 0.410 32.214 31.700 0.173 0.000 0.790 551 F N -0.525 119.406 119.950 -0.031 0.000 2.529 551 F HA 0.391 4.918 4.527 -0.001 0.000 0.320 551 F C -0.269 175.508 175.800 -0.039 0.000 1.118 551 F CA -1.070 56.912 58.000 -0.029 0.000 0.915 551 F CB 2.383 41.370 39.000 -0.022 0.000 1.161 551 F HN -0.415 nan 8.300 nan 0.000 0.445 552 V N 4.119 124.085 119.914 0.088 0.000 2.588 552 V HA 0.603 4.723 4.120 -0.001 0.000 0.304 552 V C -0.824 175.299 176.094 0.048 0.000 1.042 552 V CA -0.847 61.476 62.300 0.038 0.000 0.877 552 V CB 2.018 33.825 31.823 -0.026 0.000 0.996 552 V HN 0.478 nan 8.190 nan 0.000 0.425 553 V N 5.644 125.579 119.914 0.034 0.000 2.540 553 V HA 0.502 4.622 4.120 -0.001 0.000 0.302 553 V C -0.329 175.760 176.094 -0.008 0.000 1.035 553 V CA -0.597 61.715 62.300 0.021 0.000 0.873 553 V CB 1.921 33.760 31.823 0.026 0.000 0.992 553 V HN 0.647 nan 8.190 nan 0.000 0.428 554 L N 5.974 127.184 121.223 -0.023 0.000 2.264 554 L HA 0.718 5.057 4.340 -0.001 0.000 0.289 554 L C -0.004 176.837 176.870 -0.047 0.000 1.044 554 L CA -0.483 54.328 54.840 -0.049 0.000 0.807 554 L CB 1.360 43.373 42.059 -0.077 0.000 1.192 554 L HN 0.630 nan 8.230 nan 0.000 0.425 555 V N 0.090 119.977 119.914 -0.046 0.000 3.182 555 V HA 1.074 5.194 4.120 -0.001 0.000 0.311 555 V C 0.247 176.314 176.094 -0.045 0.000 1.221 555 V CA -0.187 62.091 62.300 -0.037 0.000 1.060 555 V CB 1.308 33.120 31.823 -0.018 0.000 1.164 555 V HN 0.960 nan 8.190 nan 0.000 0.466 556 G N -0.762 108.021 108.800 -0.029 0.000 2.699 556 G HA2 0.249 4.209 3.960 -0.001 0.000 0.686 556 G HA3 0.249 4.209 3.960 -0.001 0.000 0.686 556 G C 0.586 175.463 174.900 -0.037 0.000 1.301 556 G CA -0.138 44.948 45.100 -0.023 0.000 0.816 556 G HN 1.990 nan 8.290 nan 0.000 0.595 557 G N -0.454 108.334 108.800 -0.020 0.000 2.442 557 G HA2 0.026 3.985 3.960 -0.001 0.000 0.219 557 G HA3 0.026 3.985 3.960 -0.001 0.000 0.219 557 G C 2.044 176.911 174.900 -0.055 0.000 1.141 557 G CA 2.050 47.136 45.100 -0.024 0.000 0.763 557 G HN 1.400 nan 8.290 nan 0.000 0.554 558 S N 0.573 116.227 115.700 -0.077 0.000 2.481 558 S HA -0.008 4.462 4.470 -0.001 0.000 0.231 558 S C 2.434 176.873 174.600 -0.268 0.000 0.996 558 S CA 0.856 58.957 58.200 -0.164 0.000 0.942 558 S CB -0.017 63.059 63.200 -0.207 0.000 0.768 558 S HN 0.317 nan 8.310 nan 0.000 0.520 559 S N 1.371 116.946 115.700 -0.208 0.000 2.561 559 S HA 0.221 4.691 4.470 -0.001 0.000 0.225 559 S C 1.433 175.964 174.600 -0.116 0.000 0.977 559 S CA 0.199 58.288 58.200 -0.184 0.000 0.926 559 S CB -0.156 62.962 63.200 -0.136 0.000 0.769 559 S HN 0.421 nan 8.310 nan 0.000 0.533 560 L N 1.038 122.206 121.223 -0.091 0.000 2.376 560 L HA 0.026 4.366 4.340 -0.001 0.000 0.219 560 L C 0.751 177.596 176.870 -0.042 0.000 1.133 560 L CA 0.268 55.076 54.840 -0.053 0.000 0.816 560 L CB -0.354 41.679 42.059 -0.043 0.000 0.933 560 L HN 0.216 nan 8.230 nan 0.000 0.449 561 D N -0.142 120.205 120.400 -0.089 0.000 2.488 561 D HA -0.133 4.506 4.640 -0.001 0.000 0.238 561 D C 1.110 177.369 176.300 -0.068 0.000 1.138 561 D CA -0.011 53.928 54.000 -0.101 0.000 0.873 561 D CB 0.577 41.260 40.800 -0.196 0.000 1.183 561 D HN 0.197 nan 8.370 nan 0.000 0.458 562 F N 1.257 121.168 119.950 -0.064 0.000 2.802 562 F HA 0.231 4.758 4.527 -0.001 0.000 0.300 562 F C 1.041 176.824 175.800 -0.028 0.000 1.168 562 F CA 0.230 58.205 58.000 -0.043 0.000 1.433 562 F CB -0.047 38.933 39.000 -0.034 0.000 1.115 562 F HN 0.367 nan 8.300 nan 0.000 0.582 563 E N 0.034 119.946 120.200 -0.481 0.000 2.414 563 E HA 0.061 4.411 4.350 -0.001 0.000 0.208 563 E C 2.129 178.614 176.600 -0.192 0.000 0.820 563 E CA 0.371 56.572 56.400 -0.332 0.000 1.143 563 E CB 0.046 29.455 29.700 -0.485 0.000 1.150 563 E HN 0.251 nan 8.360 nan 0.000 0.540 564 V N 2.456 122.242 119.914 -0.213 0.000 2.287 564 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 564 V C -0.824 175.187 176.094 -0.137 0.000 1.053 564 V CA 2.232 64.427 62.300 -0.176 0.000 1.027 564 V CB -1.319 30.314 31.823 -0.316 0.000 0.646 564 V HN 0.144 nan 8.190 nan 0.000 0.447 565 P HA -0.216 nan 4.420 nan 0.000 0.216 565 P C 1.798 179.070 177.300 -0.047 0.000 1.153 565 P CA 1.512 64.561 63.100 -0.085 0.000 0.858 565 P CB -0.134 31.526 31.700 -0.066 0.000 0.789 566 Q N -0.051 119.727 119.800 -0.037 0.000 2.079 566 Q HA -0.132 4.208 4.340 -0.001 0.000 0.200 566 Q C 2.076 178.072 176.000 -0.006 0.000 0.974 566 Q CA 1.480 57.275 55.803 -0.013 0.000 0.840 566 Q CB -0.824 27.912 28.738 -0.003 0.000 0.898 566 Q HN 0.248 nan 8.270 nan 0.000 0.430 567 L N 0.102 121.316 121.223 -0.015 0.000 2.046 567 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 567 L C 2.591 179.475 176.870 0.024 0.000 1.077 567 L CA 0.924 55.768 54.840 0.008 0.000 0.747 567 L CB -0.453 41.611 42.059 0.008 0.000 0.896 567 L HN 0.033 nan 8.230 nan 0.000 0.432 568 V N -0.912 119.007 119.914 0.008 0.000 2.379 568 V HA -0.240 3.880 4.120 -0.001 0.000 0.245 568 V C 2.540 178.645 176.094 0.019 0.000 1.044 568 V CA 2.191 64.501 62.300 0.016 0.000 1.036 568 V CB -0.649 31.164 31.823 -0.016 0.000 0.664 568 V HN 0.449 nan 8.190 nan 0.000 0.453 569 T N -0.133 114.425 114.554 0.005 0.000 2.684 569 T HA -0.221 4.129 4.350 -0.001 0.000 0.267 569 T C 1.669 176.389 174.700 0.034 0.000 1.036 569 T CA 1.902 64.008 62.100 0.009 0.000 1.148 569 T CB -0.400 68.469 68.868 0.000 0.000 0.863 569 T HN 0.449 nan 8.240 nan 0.000 0.436 570 D N 1.152 121.576 120.400 0.041 0.000 2.144 570 D HA 0.019 4.659 4.640 -0.001 0.000 0.199 570 D C 2.264 178.632 176.300 0.114 0.000 0.984 570 D CA 1.117 55.155 54.000 0.063 0.000 0.834 570 D CB -0.478 40.351 40.800 0.048 0.000 0.955 570 D HN 0.404 nan 8.370 nan 0.000 0.465 571 A N 0.050 122.939 122.820 0.116 0.000 2.067 571 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 571 A C 2.059 179.780 177.584 0.228 0.000 1.158 571 A CA 0.762 52.909 52.037 0.183 0.000 0.661 571 A CB -0.373 18.710 19.000 0.138 0.000 0.801 571 A HN 0.251 nan 8.150 nan 0.000 0.452 572 L N -1.627 119.679 121.223 0.139 0.000 2.640 572 L HA 0.175 4.515 4.340 -0.001 0.000 0.230 572 L C 2.445 179.379 176.870 0.107 0.000 1.123 572 L CA 0.480 55.414 54.840 0.156 0.000 0.900 572 L CB -0.075 42.008 42.059 0.039 0.000 1.146 572 L HN 0.344 nan 8.230 nan 0.000 0.484 573 A N 0.147 123.012 122.820 0.076 0.000 2.121 573 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 573 A C 1.779 179.375 177.584 0.019 0.000 1.154 573 A CA 1.015 53.081 52.037 0.048 0.000 0.679 573 A CB -0.698 18.339 19.000 0.061 0.000 0.795 573 A HN 0.622 nan 8.150 nan 0.000 0.458 574 H N -2.709 116.296 119.070 -0.108 0.000 2.519 574 H HA 0.308 4.864 4.556 -0.001 0.000 0.289 574 H C -0.951 174.111 175.328 -0.443 0.000 1.040 574 H CA -0.340 55.556 56.048 -0.254 0.000 1.165 574 H CB -0.737 28.841 29.762 -0.305 0.000 1.462 574 H HN 0.469 nan 8.280 nan 0.000 0.555 575 Y N 0.386 120.531 120.300 -0.258 0.000 2.487 575 Y HA 0.350 4.899 4.550 -0.001 0.000 0.337 575 Y C 1.173 177.000 175.900 -0.121 0.000 1.076 575 Y CA -1.420 56.573 58.100 -0.179 0.000 1.115 575 Y CB 1.315 39.642 38.460 -0.221 0.000 1.235 575 Y HN -0.056 nan 8.280 nan 0.000 0.468 576 R N 1.717 122.251 120.500 0.056 0.000 2.823 576 R HA 0.175 4.514 4.340 -0.001 0.000 0.250 576 R C -1.384 174.872 176.300 -0.074 0.000 1.332 576 R CA -0.168 55.923 56.100 -0.014 0.000 1.259 576 R CB -1.689 28.602 30.300 -0.014 0.000 1.225 576 R HN 0.573 nan 8.270 nan 0.000 0.545 577 L N -2.367 118.811 121.223 -0.074 0.000 2.343 577 L HA 0.526 4.866 4.340 -0.001 0.000 0.275 577 L C -0.162 176.567 176.870 -0.234 0.000 1.056 577 L CA -1.236 53.492 54.840 -0.187 0.000 0.804 577 L CB 0.954 42.922 42.059 -0.152 0.000 1.203 577 L HN -0.287 nan 8.230 nan 0.000 0.440 578 V N 2.110 121.767 119.914 -0.429 0.000 2.455 578 V HA 0.680 4.800 4.120 -0.001 0.000 0.273 578 V C 0.652 176.639 176.094 -0.177 0.000 1.045 578 V CA 0.089 62.184 62.300 -0.342 0.000 0.976 578 V CB 0.243 31.727 31.823 -0.566 0.000 0.993 578 V HN 1.068 nan 8.190 nan 0.000 0.475 579 A N 4.192 126.959 122.820 -0.088 0.000 2.356 579 A HA 0.973 5.293 4.320 -0.001 0.000 0.310 579 A C 0.089 177.662 177.584 -0.018 0.000 1.075 579 A CA 0.038 52.049 52.037 -0.043 0.000 0.746 579 A CB 1.740 20.715 19.000 -0.041 0.000 1.221 579 A HN 1.177 nan 8.150 nan 0.000 0.443 580 G N 0.777 109.575 108.800 -0.003 0.000 2.646 580 G HA2 0.529 4.489 3.960 -0.001 0.000 0.291 580 G HA3 0.529 4.489 3.960 -0.001 0.000 0.291 580 G C -0.809 174.088 174.900 -0.006 0.000 1.445 580 G CA -0.882 44.218 45.100 -0.001 0.000 0.814 580 G HN 0.951 nan 8.290 nan 0.000 0.495 581 R N 0.193 120.685 120.500 -0.014 0.000 2.643 581 R HA 0.467 4.807 4.340 -0.001 0.000 0.270 581 R C 0.784 177.079 176.300 -0.008 0.000 1.061 581 R CA 0.301 56.388 56.100 -0.022 0.000 1.107 581 R CB 0.303 30.587 30.300 -0.027 0.000 0.999 581 R HN 0.739 nan 8.270 nan 0.000 0.460 582 G N 1.598 110.391 108.800 -0.011 0.000 2.614 582 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.239 582 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.239 582 G C -0.377 174.521 174.900 -0.003 0.000 1.240 582 G CA -0.401 44.697 45.100 -0.004 0.000 0.842 582 G HN 0.692 nan 8.290 nan 0.000 0.584 583 N N 0.042 118.742 118.700 -0.000 0.000 2.750 583 N HA 0.187 4.926 4.740 -0.001 0.000 0.253 583 N C -0.602 174.905 175.510 -0.004 0.000 1.408 583 N CA -0.629 52.420 53.050 -0.002 0.000 0.780 583 N CB 0.286 38.773 38.487 0.001 0.000 1.191 583 N HN 0.192 nan 8.380 nan 0.000 0.511 584 I N 2.030 122.597 120.570 -0.005 0.000 2.683 584 I HA 0.049 4.218 4.170 -0.001 0.000 0.286 584 I C 1.402 177.514 176.117 -0.009 0.000 1.175 584 I CA 0.706 62.002 61.300 -0.006 0.000 1.429 584 I CB 0.208 38.206 38.000 -0.003 0.000 1.371 584 I HN 0.512 nan 8.210 nan 0.000 0.569 585 R N 4.118 124.612 120.500 -0.011 0.000 3.946 585 R HA -0.240 4.100 4.340 -0.001 0.000 0.329 585 R C 1.164 177.454 176.300 -0.016 0.000 1.209 585 R CA 0.702 56.793 56.100 -0.015 0.000 0.909 585 R CB -2.001 28.289 30.300 -0.017 0.000 1.355 585 R HN 1.187 nan 8.270 nan 0.000 0.539 586 G N -1.196 107.597 108.800 -0.013 0.000 2.155 586 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.257 586 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.257 586 G C 0.457 175.351 174.900 -0.011 0.000 0.983 586 G CA 1.039 46.132 45.100 -0.011 0.000 0.676 586 G HN 1.005 nan 8.290 nan 0.000 0.528 587 S N -2.569 113.124 115.700 -0.012 0.000 2.483 587 S HA 0.215 4.685 4.470 -0.001 0.000 0.280 587 S C 0.976 175.572 174.600 -0.008 0.000 1.059 587 S CA 0.713 58.906 58.200 -0.012 0.000 1.359 587 S CB 0.217 63.406 63.200 -0.019 0.000 1.171 587 S HN 0.105 nan 8.310 nan 0.000 0.625 588 E N 2.222 122.417 120.200 -0.007 0.000 2.479 588 E HA 0.373 4.723 4.350 -0.001 0.000 0.193 588 E C 1.447 178.045 176.600 -0.003 0.000 1.049 588 E CA 0.625 57.023 56.400 -0.003 0.000 0.870 588 E CB 0.164 29.863 29.700 -0.002 0.000 0.944 588 E HN 0.689 nan 8.360 nan 0.000 0.492 589 G N 2.651 111.448 108.800 -0.004 0.000 2.566 589 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.280 589 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.280 589 G C -1.709 173.185 174.900 -0.008 0.000 1.225 589 G CA 0.234 45.331 45.100 -0.006 0.000 0.966 589 G HN 0.171 nan 8.290 nan 0.000 0.560 590 P HA 0.089 nan 4.420 nan 0.000 0.241 590 P C 0.739 178.031 177.300 -0.013 0.000 1.191 590 P CA 0.604 63.693 63.100 -0.019 0.000 0.771 590 P CB 0.143 31.823 31.700 -0.034 0.000 0.929 591 R N 0.641 121.136 120.500 -0.007 0.000 2.577 591 R HA 0.160 4.500 4.340 -0.001 0.000 0.269 591 R C 1.089 177.391 176.300 0.003 0.000 1.084 591 R CA -0.377 55.723 56.100 -0.001 0.000 1.163 591 R CB -0.711 29.591 30.300 0.003 0.000 1.100 591 R HN 0.151 nan 8.270 nan 0.000 0.547 592 N N -0.786 117.919 118.700 0.008 0.000 2.878 592 N HA -0.239 4.500 4.740 -0.001 0.000 0.247 592 N C 0.653 176.169 175.510 0.010 0.000 1.021 592 N CA 0.658 53.714 53.050 0.011 0.000 0.873 592 N CB -0.300 38.194 38.487 0.011 0.000 1.128 592 N HN 0.690 nan 8.380 nan 0.000 0.571 593 A N 0.188 123.013 122.820 0.008 0.000 1.883 593 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 593 A C 2.164 179.757 177.584 0.015 0.000 1.186 593 A CA 2.074 54.116 52.037 0.009 0.000 0.624 593 A CB -0.511 18.492 19.000 0.005 0.000 0.822 593 A HN 0.197 nan 8.150 nan 0.000 0.444 594 V N -0.345 119.581 119.914 0.019 0.000 2.379 594 V HA -0.162 3.957 4.120 -0.001 0.000 0.245 594 V C 3.043 179.153 176.094 0.026 0.000 1.044 594 V CA 1.750 64.065 62.300 0.025 0.000 1.036 594 V CB -1.202 30.638 31.823 0.027 0.000 0.664 594 V HN 0.614 nan 8.190 nan 0.000 0.453 595 A N -0.232 122.600 122.820 0.021 0.000 1.902 595 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 595 A C 2.407 180.005 177.584 0.023 0.000 1.181 595 A CA 2.609 54.657 52.037 0.018 0.000 0.623 595 A CB -0.990 18.018 19.000 0.015 0.000 0.818 595 A HN 0.485 nan 8.150 nan 0.000 0.443 596 T N -0.337 114.231 114.554 0.022 0.000 2.674 596 T HA -0.032 4.318 4.350 -0.001 0.000 0.265 596 T C 1.995 176.716 174.700 0.035 0.000 1.039 596 T CA 1.532 63.646 62.100 0.024 0.000 1.150 596 T CB -0.713 68.164 68.868 0.015 0.000 0.864 596 T HN 0.589 nan 8.240 nan 0.000 0.427 597 G N 1.329 110.149 108.800 0.034 0.000 2.450 597 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.220 597 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.220 597 G C 1.490 176.430 174.900 0.067 0.000 1.130 597 G CA 0.501 45.627 45.100 0.044 0.000 0.760 597 G HN 0.308 nan 8.290 nan 0.000 0.557 598 L N 0.897 122.158 121.223 0.063 0.000 1.971 598 L HA -0.043 4.297 4.340 -0.001 0.000 0.215 598 L C 2.856 179.806 176.870 0.133 0.000 1.072 598 L CA 1.431 56.320 54.840 0.081 0.000 0.758 598 L CB -0.642 41.444 42.059 0.045 0.000 0.889 598 L HN 0.265 nan 8.230 nan 0.000 0.433 599 I N -1.462 119.174 120.570 0.111 0.000 2.286 599 I HA -0.320 3.850 4.170 -0.001 0.000 0.248 599 I C 2.336 178.602 176.117 0.247 0.000 1.115 599 I CA 0.970 62.374 61.300 0.173 0.000 1.392 599 I CB -0.272 37.782 38.000 0.091 0.000 1.065 599 I HN 0.250 nan 8.210 nan 0.000 0.418 600 L N -0.352 120.958 121.223 0.145 0.000 2.093 600 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 600 L C 2.681 179.644 176.870 0.154 0.000 1.085 600 L CA 1.204 56.113 54.840 0.115 0.000 0.755 600 L CB -0.482 41.611 42.059 0.057 0.000 0.904 600 L HN 0.210 nan 8.230 nan 0.000 0.435 601 S N -0.916 114.876 115.700 0.154 0.000 2.406 601 S HA -0.200 4.270 4.470 -0.001 0.000 0.228 601 S C 1.681 176.386 174.600 0.175 0.000 1.020 601 S CA 0.566 58.846 58.200 0.133 0.000 0.965 601 S CB -0.291 62.975 63.200 0.110 0.000 0.798 601 S HN 0.549 nan 8.310 nan 0.000 0.488 602 W N 1.708 123.048 121.300 0.067 0.000 2.388 602 W HA -0.094 4.566 4.660 0.000 0.000 0.294 602 W C 1.997 178.574 176.519 0.095 0.000 1.212 602 W CA 1.819 59.205 57.345 0.068 0.000 1.271 602 W CB -0.942 28.558 29.460 0.066 0.000 1.126 602 W HN 0.477 nan 8.180 nan 0.000 0.535 603 H N 0.514 119.533 119.070 -0.085 0.000 2.426 603 H HA -0.071 4.485 4.556 -0.001 0.000 0.298 603 H C 0.962 176.101 175.328 -0.316 0.000 1.107 603 H CA 1.874 57.737 56.048 -0.309 0.000 1.298 603 H CB -0.150 29.578 29.762 -0.056 0.000 1.377 603 H HN 0.070 nan 8.280 nan 0.000 0.519 604 K N 0.000 120.330 120.400 -0.116 0.000 2.780 604 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 604 K CA 0.000 56.209 56.287 -0.129 0.000 0.838 604 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 604 K HN 0.000 nan 8.250 nan 0.000 0.543