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 1pky_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKKTKIVCTI GPKTESEEML AKMLDAGMNV MRLNFSHGDY AEHGQRIQNL DATA SEQUENCE RNVMSKTGKT AAILLDTKGP EIRXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXMVAVTY EGFTTDLSVG NTVLVDDGLI GMEVTAIEGN KVICKVLNNG DATA SEQUENCE DLGENKGVNL PGVSIALPAL AEKDKQDLIF GCEQGVDFVA ASFIRKRSDV DATA SEQUENCE IEIREHLKAH GGENIHIISK IENQEGLNNF DEILEASDGI MVARGDLGVE DATA SEQUENCE IPVEEVIFAQ KMMIEKCIRA RKVVITATMM LDSMIKNPRP TRAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGESAKGKY PLEAVSIMAT ICERTDRVMN SRLEXXXXXX DATA SEQUENCE KLRITEAVCR GAVETAEKLD APLIVVATQG GKSARAVRKY FPDATILALT DATA SEQUENCE TNEKTAHQLV LSKGVVPQLV KEITSTDDFY RLGKELALQS GLAHKGDVVV DATA SEQUENCE MVSGALVPSG TTNTASVHVL 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 0.000 176.317 176.300 0.028 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 K N 2.347 122.763 120.400 0.025 0.000 2.380 2 K HA 0.166 4.486 4.320 -0.000 0.000 0.267 2 K C -0.052 176.565 176.600 0.028 0.000 0.990 2 K CA 0.346 56.649 56.287 0.026 0.000 0.946 2 K CB 1.307 33.821 32.500 0.022 0.000 0.937 2 K HN 0.731 nan 8.250 nan 0.000 0.491 3 K N 0.311 120.730 120.400 0.032 0.000 2.367 3 K HA -0.003 4.317 4.320 -0.000 0.000 0.198 3 K C 0.393 177.008 176.600 0.024 0.000 1.132 3 K CA 0.550 56.856 56.287 0.032 0.000 0.941 3 K CB 0.647 33.174 32.500 0.045 0.000 1.052 3 K HN 0.878 nan 8.250 nan 0.000 0.507 4 T N 1.143 115.713 114.554 0.027 0.000 2.910 4 T HA 0.170 4.520 4.350 -0.000 0.000 0.293 4 T C -0.094 174.612 174.700 0.009 0.000 1.015 4 T CA -0.677 61.433 62.100 0.017 0.000 1.094 4 T CB 0.856 69.739 68.868 0.026 0.000 0.968 4 T HN -0.220 nan 8.240 nan 0.000 0.521 5 K N 3.291 123.690 120.400 -0.001 0.000 2.118 5 K HA 0.488 4.808 4.320 -0.000 0.000 0.267 5 K C -0.267 176.329 176.600 -0.007 0.000 0.991 5 K CA -0.596 55.689 56.287 -0.003 0.000 0.916 5 K CB 1.402 33.895 32.500 -0.011 0.000 1.041 5 K HN 0.667 nan 8.250 nan 0.000 0.455 6 I N 2.132 122.701 120.570 -0.002 0.000 2.355 6 I HA 0.147 4.316 4.170 -0.000 0.000 0.288 6 I C -0.437 175.678 176.117 -0.005 0.000 0.999 6 I CA -1.053 60.246 61.300 -0.003 0.000 1.163 6 I CB 1.718 39.721 38.000 0.005 0.000 1.316 6 I HN 0.047 nan 8.210 nan 0.000 0.454 7 V N 5.785 125.691 119.914 -0.013 0.000 2.432 7 V HA 0.250 4.369 4.120 -0.000 0.000 0.275 7 V C -0.241 175.851 176.094 -0.004 0.000 1.043 7 V CA -0.357 61.935 62.300 -0.014 0.000 0.925 7 V CB 1.145 32.948 31.823 -0.033 0.000 0.985 7 V HN 0.778 nan 8.190 nan 0.000 0.466 8 C N 3.726 123.028 119.300 0.003 0.000 2.322 8 C HA 0.450 4.910 4.460 -0.000 0.000 0.324 8 C C 0.791 175.787 174.990 0.011 0.000 1.249 8 C CA -0.660 58.363 59.018 0.009 0.000 1.453 8 C CB 0.909 28.656 27.740 0.013 0.000 2.145 8 C HN 0.892 nan 8.230 nan 0.000 0.466 9 T N 5.342 119.903 114.554 0.011 0.000 2.799 9 T HA 0.277 4.626 4.350 -0.000 0.000 0.296 9 T C 0.182 174.894 174.700 0.019 0.000 0.947 9 T CA 0.217 62.326 62.100 0.015 0.000 1.141 9 T CB -0.020 68.858 68.868 0.016 0.000 0.891 9 T HN 0.389 nan 8.240 nan 0.000 0.533 10 I N 3.471 124.058 120.570 0.028 0.000 2.354 10 I HA 0.557 4.727 4.170 -0.000 0.000 0.292 10 I C 0.836 176.979 176.117 0.044 0.000 0.989 10 I CA -0.266 61.054 61.300 0.034 0.000 1.188 10 I CB 1.128 39.154 38.000 0.043 0.000 1.342 10 I HN 0.743 nan 8.210 nan 0.000 0.457 11 G N 6.492 115.309 108.800 0.027 0.000 3.176 11 G HA2 0.546 4.506 3.960 -0.000 0.000 0.272 11 G HA3 0.546 4.506 3.960 -0.000 0.000 0.272 11 G C -2.473 172.439 174.900 0.020 0.000 1.349 11 G CA -0.843 44.273 45.100 0.026 0.000 0.953 11 G HN 0.277 nan 8.290 nan 0.000 0.559 12 P HA -0.047 nan 4.420 nan 0.000 0.219 12 P C 1.577 178.874 177.300 -0.005 0.000 1.146 12 P CA 1.155 64.259 63.100 0.006 0.000 0.808 12 P CB 0.267 31.965 31.700 -0.004 0.000 0.779 13 K N -0.098 120.293 120.400 -0.015 0.000 2.362 13 K HA -0.064 4.256 4.320 -0.000 0.000 0.200 13 K C 0.847 177.440 176.600 -0.012 0.000 1.046 13 K CA 1.641 57.916 56.287 -0.020 0.000 0.952 13 K CB -0.155 32.325 32.500 -0.033 0.000 0.753 13 K HN 0.206 nan 8.250 nan 0.000 0.466 14 T N -2.938 111.615 114.554 -0.001 0.000 3.058 14 T HA 0.070 4.420 4.350 -0.000 0.000 0.278 14 T C 0.991 175.701 174.700 0.015 0.000 0.974 14 T CA -0.250 61.853 62.100 0.005 0.000 0.893 14 T CB 0.263 69.135 68.868 0.007 0.000 1.138 14 T HN 0.405 nan 8.240 nan 0.000 0.529 15 E N 2.131 122.343 120.200 0.021 0.000 2.481 15 E HA 0.090 4.440 4.350 -0.000 0.000 0.195 15 E C 0.593 177.210 176.600 0.029 0.000 1.047 15 E CA -0.006 56.413 56.400 0.033 0.000 0.867 15 E CB -0.285 29.444 29.700 0.047 0.000 0.858 15 E HN 0.510 nan 8.360 nan 0.000 0.513 16 S N 1.306 117.017 115.700 0.019 0.000 2.572 16 S HA -0.043 4.427 4.470 -0.000 0.000 0.267 16 S C 0.868 175.478 174.600 0.017 0.000 1.361 16 S CA -0.326 57.883 58.200 0.016 0.000 1.009 16 S CB 0.960 64.166 63.200 0.009 0.000 0.888 16 S HN 0.226 nan 8.310 nan 0.000 0.553 17 E N 0.921 121.131 120.200 0.016 0.000 2.106 17 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 17 E C 1.722 178.330 176.600 0.013 0.000 0.984 17 E CA 1.110 57.519 56.400 0.015 0.000 0.806 17 E CB -0.106 29.602 29.700 0.014 0.000 0.750 17 E HN 0.670 nan 8.360 nan 0.000 0.458 18 E N 0.262 120.468 120.200 0.011 0.000 2.152 18 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 18 E C 1.722 178.328 176.600 0.010 0.000 0.983 18 E CA 0.799 57.205 56.400 0.009 0.000 0.818 18 E CB 0.005 29.709 29.700 0.007 0.000 0.758 18 E HN 0.091 nan 8.360 nan 0.000 0.467 19 M N -0.254 119.352 119.600 0.010 0.000 2.236 19 M HA 0.040 4.520 4.480 -0.000 0.000 0.266 19 M C 1.538 177.845 176.300 0.013 0.000 1.070 19 M CA 1.383 56.688 55.300 0.010 0.000 1.137 19 M CB -0.002 32.602 32.600 0.008 0.000 1.378 19 M HN 0.086 nan 8.290 nan 0.000 0.426 20 L N -0.374 120.858 121.223 0.014 0.000 2.093 20 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 20 L C 2.487 179.366 176.870 0.014 0.000 1.085 20 L CA 1.069 55.918 54.840 0.016 0.000 0.755 20 L CB -1.062 41.007 42.059 0.017 0.000 0.904 20 L HN 0.409 nan 8.230 nan 0.000 0.435 21 A N -0.045 122.784 122.820 0.013 0.000 1.933 21 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 21 A C 2.321 179.913 177.584 0.014 0.000 1.175 21 A CA 1.542 53.587 52.037 0.013 0.000 0.628 21 A CB -0.291 18.717 19.000 0.013 0.000 0.814 21 A HN 0.290 nan 8.150 nan 0.000 0.444 22 K N -1.122 119.286 120.400 0.014 0.000 2.057 22 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 22 K C 2.031 178.641 176.600 0.016 0.000 1.050 22 K CA 1.653 57.949 56.287 0.015 0.000 0.935 22 K CB -0.216 32.292 32.500 0.014 0.000 0.715 22 K HN 0.488 nan 8.250 nan 0.000 0.439 23 M N 0.443 120.053 119.600 0.016 0.000 2.254 23 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 23 M C 1.905 178.215 176.300 0.017 0.000 1.066 23 M CA 1.105 56.415 55.300 0.017 0.000 1.123 23 M CB 0.017 32.627 32.600 0.017 0.000 1.388 23 M HN 0.117 nan 8.290 nan 0.000 0.425 24 L N -0.216 121.016 121.223 0.016 0.000 2.056 24 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 24 L C 1.824 178.704 176.870 0.017 0.000 1.078 24 L CA 1.048 55.897 54.840 0.016 0.000 0.749 24 L CB -0.676 41.392 42.059 0.015 0.000 0.901 24 L HN 0.222 nan 8.230 nan 0.000 0.433 25 D N 0.189 120.599 120.400 0.017 0.000 2.178 25 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 25 D C 2.088 178.399 176.300 0.017 0.000 0.980 25 D CA 1.386 55.396 54.000 0.017 0.000 0.842 25 D CB 0.005 40.815 40.800 0.016 0.000 0.948 25 D HN 0.303 nan 8.370 nan 0.000 0.472 26 A N -0.730 122.101 122.820 0.018 0.000 2.167 26 A HA 0.389 4.709 4.320 -0.000 0.000 0.214 26 A C 1.663 179.258 177.584 0.017 0.000 1.151 26 A CA 1.254 53.302 52.037 0.018 0.000 0.735 26 A CB 0.006 19.018 19.000 0.020 0.000 0.802 26 A HN 0.281 nan 8.150 nan 0.000 0.467 27 G N -1.771 107.040 108.800 0.017 0.000 2.151 27 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.140 27 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.140 27 G C 0.102 175.012 174.900 0.016 0.000 1.020 27 G CA 0.005 45.115 45.100 0.017 0.000 0.688 27 G HN 0.478 nan 8.290 nan 0.000 0.500 28 M N 0.487 120.096 119.600 0.016 0.000 2.245 28 M HA 0.384 4.864 4.480 -0.000 0.000 0.344 28 M C 1.043 177.353 176.300 0.016 0.000 1.170 28 M CA 0.866 56.175 55.300 0.015 0.000 1.135 28 M CB 0.257 32.866 32.600 0.015 0.000 1.574 28 M HN 0.227 nan 8.290 nan 0.000 0.452 29 N N 1.931 120.641 118.700 0.016 0.000 2.419 29 N HA 0.200 4.940 4.740 -0.000 0.000 0.216 29 N C -1.217 174.309 175.510 0.027 0.000 1.118 29 N CA -0.199 52.864 53.050 0.023 0.000 0.850 29 N CB 1.124 39.625 38.487 0.022 0.000 1.292 29 N HN 0.381 nan 8.380 nan 0.000 0.467 30 V N 1.540 121.466 119.914 0.022 0.000 2.686 30 V HA 0.333 4.453 4.120 -0.000 0.000 0.306 30 V C -0.953 175.153 176.094 0.020 0.000 1.065 30 V CA -0.681 61.638 62.300 0.031 0.000 0.894 30 V CB 2.249 34.089 31.823 0.029 0.000 1.004 30 V HN 0.171 nan 8.190 nan 0.000 0.424 31 M N 4.987 124.600 119.600 0.021 0.000 2.084 31 M HA 0.483 4.963 4.480 -0.000 0.000 0.351 31 M C -0.005 176.305 176.300 0.016 0.000 1.240 31 M CA -0.316 54.995 55.300 0.018 0.000 1.083 31 M CB 0.426 33.038 32.600 0.020 0.000 1.593 31 M HN 0.766 nan 8.290 nan 0.000 0.463 32 R N 5.334 125.838 120.500 0.008 0.000 2.349 32 R HA 0.552 4.892 4.340 -0.000 0.000 0.299 32 R C -1.767 174.524 176.300 -0.014 0.000 1.027 32 R CA -0.439 55.657 56.100 -0.007 0.000 0.958 32 R CB 0.764 31.058 30.300 -0.011 0.000 1.047 32 R HN 0.810 nan 8.270 nan 0.000 0.468 33 L N 4.165 125.348 121.223 -0.066 0.000 2.319 33 L HA 0.320 4.659 4.340 -0.000 0.000 0.281 33 L C -0.528 176.234 176.870 -0.182 0.000 1.005 33 L CA -0.828 53.951 54.840 -0.101 0.000 0.828 33 L CB 1.628 43.595 42.059 -0.154 0.000 1.227 33 L HN 0.624 nan 8.230 nan 0.000 0.415 34 N N 2.658 121.353 118.700 -0.009 0.000 2.589 34 N HA 0.220 4.960 4.740 -0.000 0.000 0.232 34 N C 0.017 175.663 175.510 0.226 0.000 1.015 34 N CA -0.340 52.746 53.050 0.061 0.000 0.931 34 N CB 0.413 38.967 38.487 0.110 0.000 1.150 34 N HN 0.292 nan 8.380 nan 0.000 0.512 35 F N 1.216 121.139 119.950 -0.047 0.000 2.716 35 F HA 0.048 4.575 4.527 -0.000 0.000 0.301 35 F C 1.883 177.631 175.800 -0.085 0.000 1.210 35 F CA -0.260 57.671 58.000 -0.115 0.000 1.422 35 F CB -1.213 37.715 39.000 -0.121 0.000 1.073 35 F HN 0.524 nan 8.300 nan 0.000 0.525 36 S N -1.469 114.282 115.700 0.085 0.000 2.720 36 S HA 0.054 4.524 4.470 -0.000 0.000 0.222 36 S C 0.125 174.407 174.600 -0.530 0.000 0.958 36 S CA 0.190 58.271 58.200 -0.198 0.000 0.943 36 S CB -0.703 62.336 63.200 -0.269 0.000 0.779 36 S HN 0.470 nan 8.310 nan 0.000 0.526 37 H N -1.340 117.747 119.070 0.028 0.000 2.928 37 H HA 0.690 5.246 4.556 -0.000 0.000 0.285 37 H C 0.404 175.740 175.328 0.015 0.000 1.438 37 H CA -0.229 55.823 56.048 0.008 0.000 1.176 37 H CB 0.643 30.422 29.762 0.027 0.000 1.864 37 H HN 0.431 nan 8.280 nan 0.000 0.567 38 G N 0.329 109.226 108.800 0.161 0.000 2.757 38 G HA2 0.092 4.052 3.960 -0.000 0.000 0.638 38 G HA3 0.092 4.052 3.960 -0.000 0.000 0.638 38 G C -1.367 173.449 174.900 -0.140 0.000 1.344 38 G CA -0.213 44.970 45.100 0.138 0.000 0.855 38 G HN 1.007 nan 8.290 nan 0.000 0.537 39 D N -1.289 118.795 120.400 -0.527 0.000 2.527 39 D HA 0.495 5.135 4.640 -0.000 0.000 0.233 39 D C 0.706 176.182 176.300 -1.373 0.000 1.063 39 D CA -0.939 52.587 54.000 -0.789 0.000 0.880 39 D CB 1.052 41.588 40.800 -0.440 0.000 1.457 39 D HN 0.247 nan 8.370 nan 0.000 0.475 40 Y N 0.950 120.761 120.300 -0.814 0.000 2.207 40 Y HA -0.097 4.453 4.550 -0.000 0.000 0.287 40 Y C 2.692 178.301 175.900 -0.485 0.000 1.156 40 Y CA 1.699 59.339 58.100 -0.767 0.000 1.182 40 Y CB -1.028 37.178 38.460 -0.424 0.000 0.979 40 Y HN 0.680 nan 8.280 nan 0.000 0.521 41 A N -0.360 122.366 122.820 -0.158 0.000 1.972 41 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 41 A C 2.213 179.757 177.584 -0.067 0.000 1.169 41 A CA 1.698 53.713 52.037 -0.038 0.000 0.635 41 A CB -0.670 18.308 19.000 -0.037 0.000 0.810 41 A HN 0.520 nan 8.150 nan 0.000 0.446 42 E N -0.361 119.700 120.200 -0.231 0.000 2.017 42 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 42 E C 1.737 178.350 176.600 0.021 0.000 0.997 42 E CA 1.671 57.984 56.400 -0.145 0.000 0.804 42 E CB -0.311 29.250 29.700 -0.233 0.000 0.757 42 E HN 0.853 nan 8.360 nan 0.000 0.448 43 H N -1.068 118.027 119.070 0.041 0.000 2.321 43 H HA -0.017 4.538 4.556 -0.000 0.000 0.300 43 H C 2.161 177.710 175.328 0.369 0.000 1.087 43 H CA 0.589 56.757 56.048 0.200 0.000 1.319 43 H CB -0.431 29.416 29.762 0.142 0.000 1.379 43 H HN 0.340 nan 8.280 nan 0.000 0.501 44 G N 0.538 109.674 108.800 0.559 0.000 2.450 44 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.220 44 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.220 44 G C 1.729 176.786 174.900 0.262 0.000 1.130 44 G CA 1.097 46.505 45.100 0.512 0.000 0.760 44 G HN 0.306 nan 8.290 nan 0.000 0.557 45 Q N 0.171 120.083 119.800 0.188 0.000 2.212 45 Q HA 0.141 4.481 4.340 -0.000 0.000 0.199 45 Q C 2.427 178.498 176.000 0.119 0.000 0.950 45 Q CA 0.970 56.844 55.803 0.118 0.000 0.863 45 Q CB -0.275 28.507 28.738 0.073 0.000 0.944 45 Q HN 0.461 nan 8.270 nan 0.000 0.465 46 R N -0.339 120.257 120.500 0.160 0.000 2.096 46 R HA -0.024 4.315 4.340 -0.000 0.000 0.235 46 R C 1.964 178.339 176.300 0.126 0.000 1.127 46 R CA 1.481 57.668 56.100 0.143 0.000 0.968 46 R CB -0.273 30.140 30.300 0.189 0.000 0.861 46 R HN 0.366 nan 8.270 nan 0.000 0.440 47 I N 0.114 120.780 120.570 0.160 0.000 2.142 47 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 47 I C 2.444 178.598 176.117 0.061 0.000 1.078 47 I CA 1.260 62.624 61.300 0.107 0.000 1.343 47 I CB -0.402 37.673 38.000 0.125 0.000 1.046 47 I HN 0.261 nan 8.210 nan 0.000 0.405 48 Q N 1.531 121.373 119.800 0.070 0.000 2.061 48 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 48 Q C 1.900 177.921 176.000 0.034 0.000 0.984 48 Q CA 1.944 57.774 55.803 0.044 0.000 0.846 48 Q CB -0.296 28.472 28.738 0.049 0.000 0.902 48 Q HN 0.405 nan 8.270 nan 0.000 0.421 49 N N -0.032 118.693 118.700 0.041 0.000 2.061 49 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 49 N C 1.604 177.127 175.510 0.023 0.000 1.030 49 N CA 1.428 54.497 53.050 0.032 0.000 0.856 49 N CB -0.618 37.891 38.487 0.037 0.000 1.023 49 N HN 0.296 nan 8.380 nan 0.000 0.424 50 L N 1.297 122.535 121.223 0.024 0.000 2.046 50 L HA -0.066 4.273 4.340 -0.000 0.000 0.208 50 L C 2.114 178.981 176.870 -0.005 0.000 1.077 50 L CA 1.593 56.438 54.840 0.009 0.000 0.747 50 L CB -0.297 41.765 42.059 0.005 0.000 0.896 50 L HN -0.017 nan 8.230 nan 0.000 0.432 51 R N -0.648 119.848 120.500 -0.006 0.000 2.189 51 R HA -0.053 4.286 4.340 -0.000 0.000 0.218 51 R C 1.932 178.231 176.300 -0.000 0.000 1.074 51 R CA 0.974 57.065 56.100 -0.016 0.000 0.991 51 R CB -0.223 30.066 30.300 -0.018 0.000 0.883 51 R HN 0.467 nan 8.270 nan 0.000 0.457 52 N N -0.216 118.489 118.700 0.007 0.000 2.135 52 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 52 N C 1.731 177.248 175.510 0.010 0.000 1.027 52 N CA 1.084 54.141 53.050 0.011 0.000 0.849 52 N CB -0.345 38.151 38.487 0.014 0.000 1.002 52 N HN -0.028 nan 8.380 nan 0.000 0.425 53 V N 2.061 121.981 119.914 0.010 0.000 2.392 53 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 53 V C 2.355 178.455 176.094 0.009 0.000 1.059 53 V CA 1.366 63.672 62.300 0.010 0.000 1.051 53 V CB -0.471 31.358 31.823 0.010 0.000 0.658 53 V HN 0.286 nan 8.190 nan 0.000 0.455 54 M N -0.512 119.091 119.600 0.005 0.000 2.059 54 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 54 M C 2.529 178.839 176.300 0.017 0.000 1.072 54 M CA 2.150 57.455 55.300 0.008 0.000 1.117 54 M CB -0.687 31.910 32.600 -0.004 0.000 1.320 54 M HN 0.325 nan 8.290 nan 0.000 0.408 55 S N 0.495 116.204 115.700 0.016 0.000 2.359 55 S HA -0.183 4.286 4.470 -0.000 0.000 0.223 55 S C 1.832 176.441 174.600 0.015 0.000 1.039 55 S CA 1.555 59.765 58.200 0.017 0.000 1.042 55 S CB -0.367 62.842 63.200 0.014 0.000 0.915 55 S HN 0.358 nan 8.310 nan 0.000 0.439 56 K N 0.210 120.618 120.400 0.013 0.000 2.280 56 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 56 K C 2.142 178.749 176.600 0.013 0.000 1.047 56 K CA 1.582 57.876 56.287 0.012 0.000 0.942 56 K CB -0.073 32.434 32.500 0.011 0.000 0.739 56 K HN 0.639 nan 8.250 nan 0.000 0.457 57 T N -5.902 108.661 114.554 0.014 0.000 2.964 57 T HA 0.221 4.571 4.350 -0.000 0.000 0.249 57 T C 1.379 176.089 174.700 0.017 0.000 1.000 57 T CA 0.417 62.526 62.100 0.015 0.000 0.992 57 T CB 0.924 69.801 68.868 0.015 0.000 1.087 57 T HN 0.205 nan 8.240 nan 0.000 0.489 58 G N 1.914 110.725 108.800 0.019 0.000 2.176 58 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.253 58 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.253 58 G C -0.061 174.855 174.900 0.026 0.000 0.979 58 G CA 0.176 45.289 45.100 0.022 0.000 0.641 58 G HN 0.726 nan 8.290 nan 0.000 0.530 59 K N 1.316 121.731 120.400 0.025 0.000 2.295 59 K HA 0.513 4.833 4.320 -0.000 0.000 0.270 59 K C 0.388 177.009 176.600 0.035 0.000 1.011 59 K CA 0.346 56.649 56.287 0.027 0.000 0.953 59 K CB 0.699 33.212 32.500 0.021 0.000 0.956 59 K HN 0.160 nan 8.250 nan 0.000 0.477 60 T N 0.850 115.432 114.554 0.046 0.000 2.875 60 T HA 0.634 4.984 4.350 -0.000 0.000 0.284 60 T C -0.449 174.275 174.700 0.040 0.000 0.995 60 T CA -0.874 61.266 62.100 0.068 0.000 1.060 60 T CB 1.560 70.489 68.868 0.101 0.000 0.967 60 T HN 0.661 nan 8.240 nan 0.000 0.476 61 A N 1.233 124.056 122.820 0.005 0.000 2.594 61 A HA 0.906 5.226 4.320 -0.000 0.000 0.291 61 A C -0.848 176.699 177.584 -0.061 0.000 1.105 61 A CA -0.943 51.091 52.037 -0.006 0.000 0.694 61 A CB 1.160 20.151 19.000 -0.015 0.000 1.291 61 A HN 1.112 nan 8.150 nan 0.000 0.410 62 A N 0.225 123.049 122.820 0.006 0.000 2.294 62 A HA 0.839 5.159 4.320 -0.000 0.000 0.330 62 A C -0.608 176.986 177.584 0.017 0.000 1.133 62 A CA -0.480 51.572 52.037 0.024 0.000 0.836 62 A CB 0.440 19.576 19.000 0.225 0.000 1.190 62 A HN 0.777 nan 8.150 nan 0.000 0.492 63 I N 0.941 121.513 120.570 0.004 0.000 2.465 63 I HA 0.443 4.613 4.170 -0.000 0.000 0.291 63 I C -0.858 175.307 176.117 0.081 0.000 1.014 63 I CA -0.371 60.939 61.300 0.015 0.000 1.093 63 I CB 1.754 39.732 38.000 -0.037 0.000 1.267 63 I HN 0.583 nan 8.210 nan 0.000 0.431 64 L N 7.086 128.358 121.223 0.082 0.000 2.356 64 L HA 0.607 4.946 4.340 -0.000 0.000 0.277 64 L C -1.578 175.284 176.870 -0.014 0.000 0.996 64 L CA -0.559 54.343 54.840 0.104 0.000 0.822 64 L CB 1.953 44.076 42.059 0.106 0.000 1.256 64 L HN 0.560 nan 8.230 nan 0.000 0.413 65 L N 4.661 125.857 121.223 -0.044 0.000 2.287 65 L HA 0.449 4.789 4.340 -0.000 0.000 0.287 65 L C -0.559 176.226 176.870 -0.143 0.000 1.022 65 L CA -0.334 54.395 54.840 -0.186 0.000 0.814 65 L CB 1.198 43.133 42.059 -0.207 0.000 1.217 65 L HN 0.612 nan 8.230 nan 0.000 0.420 66 D N 2.441 122.730 120.400 -0.185 0.000 2.264 66 D HA 0.156 4.795 4.640 -0.000 0.000 0.250 66 D C -0.349 175.907 176.300 -0.074 0.000 1.113 66 D CA 0.017 53.962 54.000 -0.092 0.000 0.871 66 D CB 1.521 42.289 40.800 -0.053 0.000 1.167 66 D HN 0.527 nan 8.370 nan 0.000 0.447 67 T N 0.306 114.849 114.554 -0.017 0.000 2.837 67 T HA 0.275 4.625 4.350 -0.000 0.000 0.285 67 T C 1.147 175.864 174.700 0.029 0.000 0.984 67 T CA -0.670 61.441 62.100 0.019 0.000 1.049 67 T CB 1.987 70.866 68.868 0.018 0.000 0.947 67 T HN 0.234 nan 8.240 nan 0.000 0.472 68 K N 2.291 122.712 120.400 0.035 0.000 2.026 68 K HA 0.174 4.494 4.320 -0.000 0.000 0.208 68 K C 1.512 178.130 176.600 0.031 0.000 1.048 68 K CA 1.156 57.458 56.287 0.024 0.000 0.929 68 K CB -0.845 31.656 32.500 0.002 0.000 0.713 68 K HN 1.078 nan 8.250 nan 0.000 0.439 69 G N 1.121 109.937 108.800 0.026 0.000 2.598 69 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 69 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 69 G C -2.594 172.303 174.900 -0.005 0.000 1.302 69 G CA -0.343 44.777 45.100 0.033 0.000 0.903 69 G HN 0.175 nan 8.290 nan 0.000 0.575 70 P HA 0.467 nan 4.420 nan 0.000 0.285 70 P C -0.651 176.514 177.300 -0.225 0.000 1.259 70 P CA 0.084 63.114 63.100 -0.117 0.000 0.794 70 P CB 1.621 33.250 31.700 -0.118 0.000 0.940 71 E N 2.028 122.106 120.200 -0.204 0.000 2.359 71 E HA 0.581 4.931 4.350 -0.000 0.000 0.266 71 E C -0.535 175.946 176.600 -0.200 0.000 0.920 71 E CA -0.921 55.352 56.400 -0.212 0.000 0.788 71 E CB 2.323 31.944 29.700 -0.132 0.000 1.279 71 E HN 0.412 nan 8.360 nan 0.000 0.438 72 I N 2.445 122.916 120.570 -0.166 0.000 2.517 72 I HA 0.278 4.448 4.170 -0.000 0.000 0.280 72 I C -0.140 175.919 176.117 -0.096 0.000 1.061 72 I CA -0.323 60.920 61.300 -0.095 0.000 1.091 72 I CB 1.093 39.085 38.000 -0.012 0.000 1.205 72 I HN 0.196 nan 8.210 nan 0.000 0.459 106 V N 1.200 121.105 119.914 -0.014 0.000 3.113 106 V HA 1.106 5.226 4.120 -0.000 0.000 0.316 106 V C -0.190 175.874 176.094 -0.049 0.000 1.125 106 V CA -0.369 61.912 62.300 -0.030 0.000 1.026 106 V CB 1.640 33.442 31.823 -0.036 0.000 1.080 106 V HN 1.349 nan 8.190 nan 0.000 0.444 107 A N 1.815 124.600 122.820 -0.060 0.000 2.258 107 A HA 0.762 5.082 4.320 -0.000 0.000 0.316 107 A C -0.176 177.341 177.584 -0.113 0.000 1.279 107 A CA -0.328 51.664 52.037 -0.075 0.000 0.876 107 A CB 0.593 19.562 19.000 -0.053 0.000 1.170 107 A HN 1.977 nan 8.150 nan 0.000 0.520 108 V N 1.922 121.733 119.914 -0.172 0.000 2.439 108 V HA 0.492 4.612 4.120 -0.000 0.000 0.282 108 V C 1.285 177.277 176.094 -0.169 0.000 1.039 108 V CA 0.235 62.381 62.300 -0.257 0.000 0.913 108 V CB 0.365 31.838 31.823 -0.584 0.000 0.983 108 V HN 1.083 nan 8.190 nan 0.000 0.460 109 T N 0.885 115.369 114.554 -0.118 0.000 2.822 109 T HA -0.208 4.142 4.350 -0.000 0.000 0.270 109 T C 0.640 175.364 174.700 0.041 0.000 1.064 109 T CA 1.573 63.650 62.100 -0.038 0.000 1.131 109 T CB -0.488 68.364 68.868 -0.027 0.000 0.858 109 T HN 0.901 nan 8.240 nan 0.000 0.483 110 Y N 2.040 122.272 120.300 -0.113 0.000 2.454 110 Y HA 0.413 4.963 4.550 -0.000 0.000 0.345 110 Y C 1.078 177.002 175.900 0.040 0.000 0.970 110 Y CA -2.243 55.845 58.100 -0.020 0.000 1.204 110 Y CB 0.703 39.181 38.460 0.031 0.000 1.122 110 Y HN 0.097 nan 8.280 nan 0.000 0.514 111 E N 3.045 123.118 120.200 -0.212 0.000 2.209 111 E HA -0.135 4.214 4.350 -0.000 0.000 0.196 111 E C 1.404 177.749 176.600 -0.426 0.000 0.993 111 E CA 1.173 57.431 56.400 -0.236 0.000 0.819 111 E CB 0.122 29.759 29.700 -0.105 0.000 0.745 111 E HN 1.009 nan 8.360 nan 0.000 0.477 112 G N -0.435 107.757 108.800 -1.014 0.000 3.042 112 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.212 112 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.212 112 G C 1.020 175.563 174.900 -0.594 0.000 1.166 112 G CA -0.423 44.217 45.100 -0.766 0.000 0.767 112 G HN 0.168 nan 8.290 nan 0.000 0.546 113 F N 3.153 122.641 119.950 -0.771 0.000 2.087 113 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 113 F C 2.921 178.660 175.800 -0.101 0.000 1.100 113 F CA 2.365 60.242 58.000 -0.205 0.000 1.226 113 F CB -0.451 38.496 39.000 -0.089 0.000 0.983 113 F HN 0.228 nan 8.300 nan 0.000 0.479 114 T N -3.266 111.294 114.554 0.011 0.000 2.867 114 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 114 T C 1.844 176.502 174.700 -0.069 0.000 1.057 114 T CA 1.594 63.674 62.100 -0.033 0.000 1.136 114 T CB -0.964 67.908 68.868 0.007 0.000 0.874 114 T HN 0.262 nan 8.240 nan 0.000 0.466 115 T N 2.096 116.605 114.554 -0.076 0.000 2.698 115 T HA -0.057 4.293 4.350 -0.000 0.000 0.260 115 T C 1.681 176.353 174.700 -0.047 0.000 1.044 115 T CA 1.304 63.373 62.100 -0.053 0.000 1.149 115 T CB -0.535 68.306 68.868 -0.045 0.000 0.864 115 T HN 0.281 nan 8.240 nan 0.000 0.419 116 D N 0.595 120.973 120.400 -0.037 0.000 2.312 116 D HA 0.144 4.784 4.640 -0.000 0.000 0.211 116 D C 0.725 176.988 176.300 -0.062 0.000 0.964 116 D CA 0.216 54.214 54.000 -0.003 0.000 0.877 116 D CB -0.261 40.600 40.800 0.102 0.000 0.924 116 D HN 0.306 nan 8.370 nan 0.000 0.515 117 L N 0.193 121.323 121.223 -0.155 0.000 2.466 117 L HA 0.196 4.536 4.340 -0.000 0.000 0.257 117 L C 0.255 177.058 176.870 -0.111 0.000 1.189 117 L CA -0.018 54.706 54.840 -0.192 0.000 0.813 117 L CB 0.908 42.750 42.059 -0.361 0.000 1.118 117 L HN -0.124 nan 8.230 nan 0.000 0.471 118 S N -0.401 115.244 115.700 -0.091 0.000 2.556 118 S HA 0.395 4.865 4.470 -0.000 0.000 0.271 118 S C -0.800 173.774 174.600 -0.044 0.000 1.135 118 S CA -0.898 57.269 58.200 -0.054 0.000 0.858 118 S CB 1.713 64.891 63.200 -0.036 0.000 1.114 118 S HN 0.201 nan 8.310 nan 0.000 0.468 119 V N 2.323 122.219 119.914 -0.030 0.000 2.557 119 V HA 0.398 4.518 4.120 -0.000 0.000 0.301 119 V C 1.588 177.672 176.094 -0.018 0.000 1.026 119 V CA 1.696 63.983 62.300 -0.022 0.000 1.137 119 V CB -0.318 31.496 31.823 -0.015 0.000 0.917 119 V HN 1.519 nan 8.190 nan 0.000 0.484 120 G N 3.700 112.490 108.800 -0.015 0.000 2.284 120 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.230 120 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.230 120 G C 0.304 175.197 174.900 -0.012 0.000 1.021 120 G CA 0.195 45.289 45.100 -0.010 0.000 0.619 120 G HN 0.691 nan 8.290 nan 0.000 0.510 121 N N 1.037 119.724 118.700 -0.021 0.000 2.189 121 N HA 0.214 4.954 4.740 -0.000 0.000 0.243 121 N C -0.276 175.225 175.510 -0.015 0.000 1.235 121 N CA 1.444 54.479 53.050 -0.025 0.000 0.843 121 N CB 0.165 38.620 38.487 -0.053 0.000 1.089 121 N HN 0.244 nan 8.380 nan 0.000 0.454 122 T N 1.937 116.488 114.554 -0.005 0.000 2.853 122 T HA 0.264 4.614 4.350 -0.000 0.000 0.317 122 T C 0.059 174.770 174.700 0.018 0.000 1.059 122 T CA -0.596 61.510 62.100 0.010 0.000 0.954 122 T CB 0.643 69.521 68.868 0.016 0.000 0.994 122 T HN 0.095 nan 8.240 nan 0.000 0.479 123 V N 5.492 125.423 119.914 0.028 0.000 2.732 123 V HA 0.510 4.630 4.120 -0.000 0.000 0.297 123 V C 0.088 176.225 176.094 0.072 0.000 1.060 123 V CA -0.537 61.803 62.300 0.067 0.000 1.038 123 V CB 0.947 32.840 31.823 0.117 0.000 1.003 123 V HN 0.675 nan 8.190 nan 0.000 0.481 124 L N 3.896 125.169 121.223 0.084 0.000 2.409 124 L HA 0.778 5.117 4.340 -0.000 0.000 0.262 124 L C -0.948 175.962 176.870 0.067 0.000 0.992 124 L CA -0.833 54.047 54.840 0.065 0.000 0.817 124 L CB 2.079 44.170 42.059 0.052 0.000 1.350 124 L HN 0.302 nan 8.230 nan 0.000 0.411 125 V N -0.360 119.583 119.914 0.048 0.000 2.769 125 V HA 0.447 4.567 4.120 -0.000 0.000 0.312 125 V C -0.565 175.542 176.094 0.022 0.000 1.061 125 V CA -0.486 61.834 62.300 0.033 0.000 0.931 125 V CB 1.694 33.532 31.823 0.026 0.000 1.010 125 V HN 0.871 nan 8.190 nan 0.000 0.433 126 D N 2.872 123.280 120.400 0.013 0.000 3.357 126 D HA -0.152 4.488 4.640 -0.000 0.000 0.238 126 D C 0.059 176.368 176.300 0.015 0.000 1.126 126 D CA 0.586 54.591 54.000 0.009 0.000 0.984 126 D CB -0.804 40.000 40.800 0.008 0.000 0.925 126 D HN 0.848 nan 8.370 nan 0.000 0.414 127 D N 1.615 122.025 120.400 0.016 0.000 2.903 127 D HA -0.083 4.557 4.640 -0.000 0.000 0.210 127 D C 1.526 177.840 176.300 0.025 0.000 1.263 127 D CA 2.373 56.386 54.000 0.023 0.000 0.661 127 D CB -1.186 39.626 40.800 0.021 0.000 0.936 127 D HN 0.972 nan 8.370 nan 0.000 0.392 128 G N -1.270 107.546 108.800 0.028 0.000 2.195 128 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.246 128 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.246 128 G C 1.193 176.108 174.900 0.025 0.000 0.984 128 G CA 0.287 45.404 45.100 0.029 0.000 0.633 128 G HN 0.478 nan 8.290 nan 0.000 0.525 129 L N -0.215 121.021 121.223 0.021 0.000 2.017 129 L HA 0.169 4.509 4.340 -0.000 0.000 0.208 129 L C 1.385 178.266 176.870 0.019 0.000 1.073 129 L CA 1.413 56.264 54.840 0.018 0.000 0.745 129 L CB -0.306 41.762 42.059 0.015 0.000 0.894 129 L HN 0.320 nan 8.230 nan 0.000 0.432 130 I N -0.535 120.048 120.570 0.022 0.000 2.406 130 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 130 I C 0.250 176.386 176.117 0.031 0.000 0.999 130 I CA -0.321 60.993 61.300 0.024 0.000 1.124 130 I CB 1.701 39.714 38.000 0.022 0.000 1.289 130 I HN -0.137 nan 8.210 nan 0.000 0.441 131 G N 6.072 114.889 108.800 0.029 0.000 2.372 131 G HA2 0.738 4.698 3.960 -0.000 0.000 0.323 131 G HA3 0.738 4.698 3.960 -0.000 0.000 0.323 131 G C -0.851 174.068 174.900 0.032 0.000 1.152 131 G CA -0.478 44.641 45.100 0.032 0.000 0.906 131 G HN 0.349 nan 8.290 nan 0.000 0.460 132 M N 1.234 120.857 119.600 0.038 0.000 2.535 132 M HA 0.403 4.883 4.480 -0.000 0.000 0.314 132 M C -0.298 176.019 176.300 0.028 0.000 1.153 132 M CA -0.668 54.653 55.300 0.036 0.000 0.924 132 M CB 2.587 35.217 32.600 0.050 0.000 1.710 132 M HN 0.457 nan 8.290 nan 0.000 0.451 133 E N 2.004 122.216 120.200 0.021 0.000 2.158 133 E HA 0.382 4.731 4.350 -0.000 0.000 0.271 133 E C -1.440 175.165 176.600 0.007 0.000 0.911 133 E CA -0.558 55.849 56.400 0.011 0.000 0.767 133 E CB 1.427 31.133 29.700 0.009 0.000 1.120 133 E HN 0.548 nan 8.360 nan 0.000 0.405 134 V N 5.162 125.074 119.914 -0.004 0.000 2.450 134 V HA -0.016 4.104 4.120 -0.000 0.000 0.281 134 V C 1.550 177.640 176.094 -0.006 0.000 1.019 134 V CA 0.899 63.194 62.300 -0.010 0.000 1.062 134 V CB 0.484 32.285 31.823 -0.037 0.000 0.979 134 V HN 0.846 nan 8.190 nan 0.000 0.477 135 T N 1.738 116.293 114.554 0.001 0.000 3.042 135 T HA 0.490 4.840 4.350 -0.000 0.000 0.245 135 T C 0.565 175.265 174.700 -0.001 0.000 1.029 135 T CA 0.530 62.630 62.100 0.001 0.000 1.120 135 T CB 0.468 69.339 68.868 0.005 0.000 0.917 135 T HN 0.936 nan 8.240 nan 0.000 0.467 136 A N 0.535 123.355 122.820 0.001 0.000 2.488 136 A HA 0.741 5.061 4.320 -0.000 0.000 0.298 136 A C -1.474 176.111 177.584 0.002 0.000 1.044 136 A CA -0.903 51.134 52.037 0.000 0.000 0.693 136 A CB 1.143 20.145 19.000 0.004 0.000 1.272 136 A HN 0.424 nan 8.150 nan 0.000 0.402 137 I N 1.611 122.178 120.570 -0.004 0.000 2.439 137 I HA 0.397 4.567 4.170 -0.000 0.000 0.283 137 I C -0.564 175.553 176.117 -0.000 0.000 1.023 137 I CA -0.077 61.222 61.300 -0.001 0.000 1.100 137 I CB 1.965 39.955 38.000 -0.016 0.000 1.238 137 I HN 0.710 nan 8.210 nan 0.000 0.445 138 E N 4.178 124.382 120.200 0.005 0.000 2.224 138 E HA 0.617 4.967 4.350 -0.000 0.000 0.265 138 E C 0.500 177.102 176.600 0.004 0.000 0.878 138 E CA -0.137 56.265 56.400 0.003 0.000 0.759 138 E CB 2.035 31.737 29.700 0.004 0.000 1.164 138 E HN 0.758 nan 8.360 nan 0.000 0.414 139 G N 3.873 112.673 108.800 0.000 0.000 2.591 139 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.298 139 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.298 139 G C 0.345 175.246 174.900 0.001 0.000 1.195 139 G CA 0.453 45.553 45.100 -0.000 0.000 0.989 139 G HN 0.725 nan 8.290 nan 0.000 0.551 140 N N 1.331 120.033 118.700 0.003 0.000 2.466 140 N HA 0.345 5.085 4.740 -0.000 0.000 0.251 140 N C -0.079 175.444 175.510 0.022 0.000 1.164 140 N CA 0.402 53.456 53.050 0.006 0.000 0.888 140 N CB 0.525 39.010 38.487 -0.003 0.000 1.177 140 N HN 0.662 nan 8.380 nan 0.000 0.498 141 K N -0.460 119.958 120.400 0.030 0.000 2.507 141 K HA 0.413 4.733 4.320 -0.000 0.000 0.251 141 K C -1.369 175.265 176.600 0.057 0.000 0.943 141 K CA -0.621 55.693 56.287 0.045 0.000 0.794 141 K CB 2.858 35.375 32.500 0.028 0.000 1.188 141 K HN -0.130 nan 8.250 nan 0.000 0.428 142 V N 5.075 125.049 119.914 0.101 0.000 2.294 142 V HA 0.359 4.479 4.120 -0.000 0.000 0.272 142 V C -0.457 175.686 176.094 0.081 0.000 1.027 142 V CA -0.759 61.596 62.300 0.092 0.000 0.823 142 V CB 0.254 32.172 31.823 0.157 0.000 1.030 142 V HN 0.567 nan 8.190 nan 0.000 0.457 143 I N 4.745 125.342 120.570 0.045 0.000 2.342 143 I HA 0.479 4.648 4.170 -0.000 0.000 0.291 143 I C 0.229 176.365 176.117 0.032 0.000 1.010 143 I CA 0.373 61.695 61.300 0.037 0.000 1.308 143 I CB 0.878 38.892 38.000 0.023 0.000 1.400 143 I HN 0.488 nan 8.210 nan 0.000 0.488 144 C N 4.277 123.598 119.300 0.036 0.000 2.848 144 C HA 0.546 5.006 4.460 -0.000 0.000 0.317 144 C C -0.064 174.941 174.990 0.025 0.000 1.260 144 C CA -1.148 57.889 59.018 0.032 0.000 1.656 144 C CB 2.005 29.773 27.740 0.047 0.000 2.174 144 C HN 0.713 nan 8.230 nan 0.000 0.479 145 K N 1.172 121.584 120.400 0.021 0.000 2.265 145 K HA 0.576 4.896 4.320 -0.000 0.000 0.267 145 K C -0.946 175.665 176.600 0.020 0.000 0.994 145 K CA -0.238 56.059 56.287 0.018 0.000 0.860 145 K CB 0.963 33.471 32.500 0.013 0.000 1.099 145 K HN 0.559 nan 8.250 nan 0.000 0.448 146 V N 6.778 126.704 119.914 0.019 0.000 2.521 146 V HA -0.010 4.110 4.120 -0.000 0.000 0.286 146 V C 1.282 177.386 176.094 0.017 0.000 1.034 146 V CA 0.183 62.495 62.300 0.020 0.000 1.045 146 V CB 0.761 32.595 31.823 0.018 0.000 0.974 146 V HN 0.825 nan 8.190 nan 0.000 0.480 147 L N 4.184 125.417 121.223 0.018 0.000 2.529 147 L HA 0.250 4.589 4.340 -0.000 0.000 0.223 147 L C 0.723 177.601 176.870 0.014 0.000 1.113 147 L CA 0.286 55.135 54.840 0.015 0.000 0.861 147 L CB -0.152 41.916 42.059 0.016 0.000 1.012 147 L HN 0.921 nan 8.230 nan 0.000 0.461 148 N N -1.204 117.505 118.700 0.015 0.000 2.636 148 N HA 0.087 4.826 4.740 -0.000 0.000 0.261 148 N C -1.464 174.054 175.510 0.013 0.000 1.195 148 N CA -0.634 52.424 53.050 0.013 0.000 0.902 148 N CB 0.520 39.016 38.487 0.014 0.000 1.627 148 N HN -0.077 nan 8.380 nan 0.000 0.491 149 N N -0.529 118.178 118.700 0.011 0.000 2.479 149 N HA 0.541 5.281 4.740 -0.000 0.000 0.257 149 N C 0.051 175.567 175.510 0.011 0.000 1.232 149 N CA 0.319 53.375 53.050 0.010 0.000 0.920 149 N CB 0.741 39.233 38.487 0.008 0.000 1.105 149 N HN 0.763 nan 8.380 nan 0.000 0.444 150 G N 0.458 109.264 108.800 0.010 0.000 2.519 150 G HA2 0.130 4.090 3.960 -0.000 0.000 0.292 150 G HA3 0.130 4.090 3.960 -0.000 0.000 0.292 150 G C -1.925 172.980 174.900 0.008 0.000 1.507 150 G CA -0.713 44.393 45.100 0.010 0.000 0.806 150 G HN 0.411 nan 8.290 nan 0.000 0.523 151 D N 0.845 121.249 120.400 0.007 0.000 2.479 151 D HA 0.373 5.013 4.640 -0.000 0.000 0.218 151 D C 0.428 176.731 176.300 0.004 0.000 1.131 151 D CA -0.248 53.755 54.000 0.005 0.000 0.916 151 D CB 1.262 42.065 40.800 0.004 0.000 1.022 151 D HN 0.376 nan 8.370 nan 0.000 0.515 152 L N 2.162 123.387 121.223 0.003 0.000 2.410 152 L HA 0.544 4.884 4.340 -0.000 0.000 0.273 152 L C 0.575 177.443 176.870 -0.002 0.000 1.152 152 L CA 0.455 55.296 54.840 0.001 0.000 0.855 152 L CB 0.572 42.632 42.059 0.001 0.000 1.129 152 L HN 0.297 nan 8.230 nan 0.000 0.463 153 G N 4.076 112.874 108.800 -0.004 0.000 3.119 153 G HA2 0.383 4.343 3.960 -0.000 0.000 0.206 153 G HA3 0.383 4.343 3.960 -0.000 0.000 0.206 153 G C -0.927 173.966 174.900 -0.011 0.000 1.313 153 G CA -0.679 44.417 45.100 -0.006 0.000 1.010 153 G HN 0.641 nan 8.290 nan 0.000 0.578 154 E N 0.931 121.124 120.200 -0.012 0.000 2.331 154 E HA 0.075 4.424 4.350 -0.000 0.000 0.272 154 E C -0.027 176.562 176.600 -0.019 0.000 1.036 154 E CA -0.266 56.124 56.400 -0.016 0.000 0.864 154 E CB 0.887 30.578 29.700 -0.014 0.000 1.035 154 E HN 0.635 nan 8.360 nan 0.000 0.408 155 N N 2.369 121.053 118.700 -0.027 0.000 2.667 155 N HA -0.166 4.574 4.740 -0.000 0.000 0.263 155 N C -0.945 174.548 175.510 -0.029 0.000 1.038 155 N CA 0.295 53.327 53.050 -0.032 0.000 0.749 155 N CB -0.185 38.285 38.487 -0.028 0.000 0.892 155 N HN 0.242 nan 8.380 nan 0.000 0.546 156 K N 0.392 120.774 120.400 -0.030 0.000 2.095 156 K HA 0.440 4.760 4.320 -0.000 0.000 0.252 156 K C 0.693 177.275 176.600 -0.030 0.000 0.977 156 K CA -0.322 55.951 56.287 -0.023 0.000 0.900 156 K CB 0.951 33.441 32.500 -0.015 0.000 1.060 156 K HN 0.337 nan 8.250 nan 0.000 0.449 157 G N 0.260 109.047 108.800 -0.021 0.000 2.380 157 G HA2 0.368 4.328 3.960 -0.000 0.000 0.262 157 G HA3 0.368 4.328 3.960 -0.000 0.000 0.262 157 G C -0.548 174.345 174.900 -0.012 0.000 1.243 157 G CA -0.437 44.648 45.100 -0.026 0.000 0.865 157 G HN 0.195 nan 8.290 nan 0.000 0.513 158 V N 3.985 123.889 119.914 -0.017 0.000 2.394 158 V HA 0.309 4.429 4.120 -0.000 0.000 0.282 158 V C -0.262 175.861 176.094 0.049 0.000 1.031 158 V CA -1.072 61.252 62.300 0.040 0.000 0.881 158 V CB 1.211 33.075 31.823 0.068 0.000 0.982 158 V HN 0.691 nan 8.190 nan 0.000 0.451 159 N N 4.715 123.458 118.700 0.072 0.000 2.372 159 N HA 0.445 5.184 4.740 -0.000 0.000 0.285 159 N C -1.267 174.296 175.510 0.088 0.000 1.008 159 N CA -0.604 52.483 53.050 0.063 0.000 0.880 159 N CB 2.540 41.064 38.487 0.062 0.000 1.239 159 N HN 0.323 nan 8.380 nan 0.000 0.484 160 L N 3.874 125.146 121.223 0.081 0.000 2.603 160 L HA 0.392 4.732 4.340 -0.000 0.000 0.242 160 L C -2.220 174.687 176.870 0.062 0.000 1.169 160 L CA -2.133 52.742 54.840 0.059 0.000 1.029 160 L CB -0.017 42.065 42.059 0.037 0.000 1.361 160 L HN 0.229 nan 8.230 nan 0.000 0.439 161 P HA 0.333 nan 4.420 nan 0.000 0.266 161 P C 0.963 178.291 177.300 0.047 0.000 1.215 161 P CA 0.638 63.776 63.100 0.065 0.000 0.763 161 P CB 1.119 32.853 31.700 0.055 0.000 0.806 162 G N 2.265 111.096 108.800 0.052 0.000 5.005 162 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.251 162 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.251 162 G C -0.097 174.826 174.900 0.037 0.000 1.536 162 G CA -0.098 45.025 45.100 0.037 0.000 1.060 162 G HN 0.542 nan 8.290 nan 0.000 0.683 163 V N 1.733 121.662 119.914 0.026 0.000 3.023 163 V HA 0.243 4.363 4.120 -0.000 0.000 0.274 163 V C 0.978 177.102 176.094 0.050 0.000 1.534 163 V CA 1.390 63.704 62.300 0.023 0.000 1.504 163 V CB 0.579 32.403 31.823 0.001 0.000 0.849 163 V HN 1.491 nan 8.190 nan 0.000 0.493 164 S N 5.518 121.247 115.700 0.049 0.000 2.437 164 S HA 0.690 5.159 4.470 -0.000 0.000 0.305 164 S C -0.539 174.108 174.600 0.078 0.000 1.109 164 S CA -0.872 57.369 58.200 0.068 0.000 1.099 164 S CB 0.604 63.837 63.200 0.056 0.000 1.004 164 S HN 0.513 nan 8.310 nan 0.000 0.475 165 I N 4.103 124.723 120.570 0.083 0.000 2.353 165 I HA 0.379 4.549 4.170 -0.000 0.000 0.293 165 I C 0.953 177.107 176.117 0.062 0.000 0.992 165 I CA -0.656 60.681 61.300 0.061 0.000 1.268 165 I CB 1.562 39.518 38.000 -0.074 0.000 1.387 165 I HN 0.792 nan 8.210 nan 0.000 0.478 166 A N 7.516 130.415 122.820 0.130 0.000 2.416 166 A HA 0.346 4.666 4.320 -0.000 0.000 0.252 166 A C 0.384 178.021 177.584 0.089 0.000 1.353 166 A CA -0.041 52.071 52.037 0.125 0.000 0.996 166 A CB -0.649 18.452 19.000 0.168 0.000 0.961 166 A HN 0.623 nan 8.150 nan 0.000 0.523 167 L N 1.559 122.770 121.223 -0.020 0.000 2.350 167 L HA 0.328 4.668 4.340 -0.000 0.000 0.275 167 L C -1.737 175.139 176.870 0.009 0.000 1.099 167 L CA -2.044 52.766 54.840 -0.051 0.000 0.808 167 L CB 1.262 43.189 42.059 -0.220 0.000 1.149 167 L HN 0.223 nan 8.230 nan 0.000 0.442 168 P HA 0.043 nan 4.420 nan 0.000 0.271 168 P C 0.126 177.446 177.300 0.033 0.000 1.218 168 P CA -0.282 62.843 63.100 0.041 0.000 0.780 168 P CB 1.121 32.851 31.700 0.050 0.000 0.901 169 A N 3.722 126.569 122.820 0.044 0.000 1.927 169 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 169 A C 1.198 178.790 177.584 0.012 0.000 1.185 169 A CA 1.326 53.390 52.037 0.044 0.000 0.639 169 A CB -0.618 18.404 19.000 0.037 0.000 0.820 169 A HN 0.593 nan 8.150 nan 0.000 0.451 170 L N -0.357 120.853 121.223 -0.022 0.000 2.427 170 L HA 0.569 4.909 4.340 -0.000 0.000 0.264 170 L C -0.223 176.607 176.870 -0.066 0.000 0.989 170 L CA -0.332 54.452 54.840 -0.093 0.000 0.865 170 L CB 1.000 42.900 42.059 -0.266 0.000 1.209 170 L HN 0.334 nan 8.230 nan 0.000 0.430 171 A N 2.976 125.779 122.820 -0.027 0.000 2.302 171 A HA 0.349 4.669 4.320 -0.000 0.000 0.285 171 A C 1.083 178.675 177.584 0.013 0.000 1.105 171 A CA -0.402 51.639 52.037 0.006 0.000 0.816 171 A CB 0.579 19.585 19.000 0.010 0.000 1.067 171 A HN 0.744 nan 8.150 nan 0.000 0.489 172 E N 0.919 121.145 120.200 0.043 0.000 2.324 172 E HA -0.218 4.132 4.350 -0.000 0.000 0.205 172 E C 1.226 177.855 176.600 0.048 0.000 1.031 172 E CA 1.372 57.807 56.400 0.058 0.000 0.836 172 E CB -0.031 29.707 29.700 0.063 0.000 0.742 172 E HN 0.567 nan 8.360 nan 0.000 0.491 173 K N 0.143 120.564 120.400 0.033 0.000 2.137 173 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 173 K C 1.662 178.288 176.600 0.044 0.000 1.052 173 K CA 0.530 56.837 56.287 0.032 0.000 0.961 173 K CB 0.034 32.544 32.500 0.016 0.000 0.741 173 K HN 0.067 nan 8.250 nan 0.000 0.452 174 D N 1.144 121.563 120.400 0.032 0.000 2.333 174 D HA 0.002 4.641 4.640 -0.000 0.000 0.208 174 D C 1.294 177.622 176.300 0.046 0.000 0.984 174 D CA 0.341 54.371 54.000 0.050 0.000 0.873 174 D CB 0.462 41.276 40.800 0.024 0.000 0.935 174 D HN 0.103 nan 8.370 nan 0.000 0.521 175 K N 0.359 120.762 120.400 0.005 0.000 2.160 175 K HA -0.209 4.110 4.320 -0.000 0.000 0.206 175 K C 2.165 178.783 176.600 0.031 0.000 1.047 175 K CA 1.214 57.490 56.287 -0.019 0.000 0.930 175 K CB -0.001 32.510 32.500 0.018 0.000 0.720 175 K HN 0.326 nan 8.250 nan 0.000 0.450 176 Q N 0.804 120.654 119.800 0.084 0.000 2.123 176 Q HA -0.134 4.206 4.340 -0.000 0.000 0.199 176 Q C 1.327 177.417 176.000 0.149 0.000 0.966 176 Q CA 1.273 57.139 55.803 0.105 0.000 0.845 176 Q CB -0.178 28.672 28.738 0.187 0.000 0.907 176 Q HN 0.162 nan 8.270 nan 0.000 0.439 177 D N 1.463 122.032 120.400 0.281 0.000 2.127 177 D HA -0.177 4.463 4.640 -0.000 0.000 0.190 177 D C 1.945 178.434 176.300 0.314 0.000 1.000 177 D CA 1.039 55.303 54.000 0.441 0.000 0.839 177 D CB -0.336 40.738 40.800 0.457 0.000 0.955 177 D HN 0.112 nan 8.370 nan 0.000 0.446 178 L N 0.520 121.830 121.223 0.146 0.000 1.978 178 L HA -0.226 4.113 4.340 -0.000 0.000 0.218 178 L C 2.603 179.481 176.870 0.012 0.000 1.075 178 L CA 1.431 56.308 54.840 0.061 0.000 0.767 178 L CB -0.803 41.263 42.059 0.012 0.000 0.890 178 L HN 0.158 nan 8.230 nan 0.000 0.434 179 I N -1.002 119.525 120.570 -0.072 0.000 2.208 179 I HA -0.378 3.792 4.170 -0.000 0.000 0.245 179 I C 2.544 178.607 176.117 -0.090 0.000 1.097 179 I CA 1.351 62.539 61.300 -0.187 0.000 1.363 179 I CB -0.433 37.375 38.000 -0.320 0.000 1.051 179 I HN 0.149 nan 8.210 nan 0.000 0.413 180 F N 1.930 121.760 119.950 -0.199 0.000 2.120 180 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 180 F C 2.271 178.039 175.800 -0.052 0.000 1.095 180 F CA 1.839 59.711 58.000 -0.214 0.000 1.249 180 F CB -0.863 37.885 39.000 -0.421 0.000 0.995 180 F HN 0.008 nan 8.300 nan 0.000 0.480 181 G N -0.531 108.251 108.800 -0.030 0.000 2.421 181 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 181 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 181 G C 1.736 176.544 174.900 -0.153 0.000 1.171 181 G CA 1.090 46.127 45.100 -0.105 0.000 0.775 181 G HN 0.535 nan 8.290 nan 0.000 0.543 182 C N 0.231 119.476 119.300 -0.092 0.000 2.413 182 C HA -0.000 4.460 4.460 -0.000 0.000 0.276 182 C C 2.737 177.666 174.990 -0.102 0.000 1.248 182 C CA 1.037 60.018 59.018 -0.062 0.000 1.742 182 C CB -0.907 26.838 27.740 0.009 0.000 2.017 182 C HN 0.581 nan 8.230 nan 0.000 0.481 183 E N 0.056 120.164 120.200 -0.152 0.000 2.077 183 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 183 E C 2.346 178.822 176.600 -0.208 0.000 0.989 183 E CA 1.056 57.360 56.400 -0.160 0.000 0.800 183 E CB -0.076 29.514 29.700 -0.183 0.000 0.746 183 E HN 0.609 nan 8.360 nan 0.000 0.452 184 Q N -0.992 118.599 119.800 -0.347 0.000 2.389 184 Q HA 0.022 4.362 4.340 -0.000 0.000 0.204 184 Q C 1.000 176.888 176.000 -0.187 0.000 0.944 184 Q CA 0.923 56.535 55.803 -0.318 0.000 0.908 184 Q CB 0.818 29.245 28.738 -0.518 0.000 1.002 184 Q HN 0.396 nan 8.270 nan 0.000 0.493 185 G N 1.827 110.531 108.800 -0.160 0.000 2.256 185 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.272 185 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.272 185 G C 0.347 175.185 174.900 -0.103 0.000 1.076 185 G CA 0.286 45.323 45.100 -0.105 0.000 0.882 185 G HN 0.346 nan 8.290 nan 0.000 0.497 186 V N -2.767 117.079 119.914 -0.114 0.000 3.139 186 V HA 0.372 4.492 4.120 -0.000 0.000 0.307 186 V C 1.245 177.266 176.094 -0.121 0.000 1.095 186 V CA 0.839 63.081 62.300 -0.096 0.000 1.160 186 V CB 0.953 32.733 31.823 -0.070 0.000 1.003 186 V HN 0.205 nan 8.190 nan 0.000 0.489 187 D N 1.170 121.472 120.400 -0.163 0.000 2.162 187 D HA 0.139 4.779 4.640 -0.000 0.000 0.205 187 D C 0.165 176.108 176.300 -0.595 0.000 0.964 187 D CA 1.523 55.294 54.000 -0.381 0.000 0.847 187 D CB 0.120 40.663 40.800 -0.429 0.000 0.988 187 D HN 0.568 nan 8.370 nan 0.000 0.480 188 F N -0.006 119.935 119.950 -0.015 0.000 2.563 188 F HA 0.415 4.942 4.527 -0.000 0.000 0.316 188 F C -0.068 175.729 175.800 -0.005 0.000 1.076 188 F CA -1.034 56.975 58.000 0.016 0.000 0.921 188 F CB 2.201 41.212 39.000 0.018 0.000 1.209 188 F HN -0.436 nan 8.300 nan 0.000 0.462 189 V N 2.367 122.407 119.914 0.210 0.000 2.407 189 V HA 0.703 4.823 4.120 -0.000 0.000 0.291 189 V C -0.502 175.649 176.094 0.094 0.000 1.018 189 V CA -0.850 61.511 62.300 0.102 0.000 0.842 189 V CB 1.444 33.305 31.823 0.064 0.000 0.996 189 V HN 0.879 nan 8.190 nan 0.000 0.426 190 A N 4.818 127.667 122.820 0.048 0.000 2.269 190 A HA 0.836 5.156 4.320 -0.000 0.000 0.302 190 A C 0.305 177.899 177.584 0.017 0.000 1.266 190 A CA -0.122 51.930 52.037 0.025 0.000 0.894 190 A CB 0.639 19.640 19.000 0.002 0.000 1.147 190 A HN 1.209 nan 8.150 nan 0.000 0.537 191 A N 2.909 125.741 122.820 0.020 0.000 2.274 191 A HA 0.657 4.976 4.320 -0.000 0.000 0.309 191 A C 0.428 178.026 177.584 0.024 0.000 1.226 191 A CA -0.320 51.728 52.037 0.019 0.000 0.853 191 A CB 0.433 19.442 19.000 0.016 0.000 1.146 191 A HN 0.754 nan 8.150 nan 0.000 0.518 192 S N 0.850 116.576 115.700 0.044 0.000 2.585 192 S HA 0.524 4.993 4.470 -0.000 0.000 0.277 192 S C -0.187 174.497 174.600 0.140 0.000 1.241 192 S CA -0.085 58.164 58.200 0.081 0.000 1.041 192 S CB -0.000 63.255 63.200 0.092 0.000 0.987 192 S HN 1.126 nan 8.310 nan 0.000 0.512 193 F N 1.845 121.794 119.950 -0.002 0.000 2.797 193 F HA -0.159 4.368 4.527 -0.000 0.000 0.273 193 F C -0.596 175.203 175.800 -0.001 0.000 1.020 193 F CA -0.092 57.906 58.000 -0.003 0.000 0.961 193 F CB -0.868 38.123 39.000 -0.014 0.000 1.020 193 F HN 0.385 nan 8.300 nan 0.000 0.840 194 I N 3.359 123.784 120.570 -0.241 0.000 2.352 194 I HA 0.136 4.306 4.170 -0.000 0.000 0.290 194 I C 1.342 177.304 176.117 -0.257 0.000 1.036 194 I CA 0.171 61.369 61.300 -0.169 0.000 1.336 194 I CB 1.225 39.168 38.000 -0.095 0.000 1.407 194 I HN 0.409 nan 8.210 nan 0.000 0.497 195 R N 5.036 125.428 120.500 -0.180 0.000 2.344 195 R HA 0.195 4.535 4.340 -0.000 0.000 0.209 195 R C -0.322 175.934 176.300 -0.073 0.000 0.886 195 R CA 0.105 56.113 56.100 -0.154 0.000 1.040 195 R CB 0.536 30.778 30.300 -0.096 0.000 1.114 195 R HN 0.615 nan 8.270 nan 0.000 0.547 196 K N -1.454 118.912 120.400 -0.057 0.000 2.685 196 K HA 0.283 4.602 4.320 -0.000 0.000 0.290 196 K C -0.426 176.149 176.600 -0.043 0.000 1.018 196 K CA -1.013 55.249 56.287 -0.042 0.000 0.860 196 K CB 1.206 33.693 32.500 -0.020 0.000 1.498 196 K HN -0.312 nan 8.250 nan 0.000 0.390 197 R N 0.878 121.350 120.500 -0.046 0.000 2.224 197 R HA -0.300 4.040 4.340 -0.000 0.000 0.251 197 R C 2.130 178.416 176.300 -0.023 0.000 1.123 197 R CA 3.091 59.165 56.100 -0.043 0.000 0.944 197 R CB -0.700 29.578 30.300 -0.037 0.000 0.910 197 R HN 0.843 nan 8.270 nan 0.000 0.440 198 S N 0.370 116.064 115.700 -0.010 0.000 2.374 198 S HA -0.199 4.271 4.470 -0.000 0.000 0.227 198 S C 1.448 176.057 174.600 0.015 0.000 1.037 198 S CA 1.931 60.135 58.200 0.006 0.000 1.024 198 S CB -0.340 62.868 63.200 0.013 0.000 0.861 198 S HN 0.316 nan 8.310 nan 0.000 0.456 199 D N 1.375 121.781 120.400 0.009 0.000 2.106 199 D HA -0.087 4.552 4.640 -0.000 0.000 0.191 199 D C 2.192 178.501 176.300 0.015 0.000 0.997 199 D CA 1.651 55.660 54.000 0.015 0.000 0.834 199 D CB -0.858 39.942 40.800 0.000 0.000 0.956 199 D HN 0.395 nan 8.370 nan 0.000 0.448 200 V N 0.970 120.882 119.914 -0.005 0.000 2.332 200 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 200 V C 2.481 178.584 176.094 0.015 0.000 1.055 200 V CA 1.263 63.560 62.300 -0.005 0.000 1.038 200 V CB -0.469 31.335 31.823 -0.031 0.000 0.651 200 V HN 0.210 nan 8.190 nan 0.000 0.450 201 I N -0.243 120.335 120.570 0.015 0.000 2.546 201 I HA -0.168 4.002 4.170 -0.000 0.000 0.255 201 I C 2.471 178.619 176.117 0.051 0.000 1.163 201 I CA 1.320 62.633 61.300 0.021 0.000 1.457 201 I CB -0.270 37.736 38.000 0.011 0.000 1.092 201 I HN 0.392 nan 8.210 nan 0.000 0.434 202 E N 0.449 120.692 120.200 0.072 0.000 2.230 202 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 202 E C 2.150 178.879 176.600 0.216 0.000 0.987 202 E CA 0.652 57.135 56.400 0.138 0.000 0.841 202 E CB 0.247 30.021 29.700 0.123 0.000 0.783 202 E HN 0.368 nan 8.360 nan 0.000 0.481 203 I N 0.987 121.626 120.570 0.116 0.000 2.202 203 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 203 I C 2.544 178.744 176.117 0.138 0.000 1.091 203 I CA 1.202 62.562 61.300 0.100 0.000 1.368 203 I CB -0.785 37.240 38.000 0.043 0.000 1.058 203 I HN 0.035 nan 8.210 nan 0.000 0.410 204 R N 1.385 121.940 120.500 0.092 0.000 2.120 204 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 204 R C 2.054 178.401 176.300 0.077 0.000 1.123 204 R CA 1.344 57.488 56.100 0.073 0.000 0.975 204 R CB -0.111 30.211 30.300 0.036 0.000 0.866 204 R HN 0.370 nan 8.270 nan 0.000 0.446 205 E N -1.011 119.234 120.200 0.077 0.000 2.152 205 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 205 E C 1.736 178.345 176.600 0.015 0.000 0.983 205 E CA 0.852 57.270 56.400 0.031 0.000 0.818 205 E CB -0.059 29.642 29.700 0.001 0.000 0.758 205 E HN 0.508 nan 8.360 nan 0.000 0.467 206 H N 0.618 119.728 119.070 0.067 0.000 2.270 206 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 206 H C 2.375 177.793 175.328 0.151 0.000 1.077 206 H CA 1.257 57.374 56.048 0.116 0.000 1.294 206 H CB -0.166 29.652 29.762 0.093 0.000 1.371 206 H HN 0.159 nan 8.280 nan 0.000 0.491 207 L N 0.767 122.125 121.223 0.226 0.000 2.042 207 L HA -0.214 4.125 4.340 -0.000 0.000 0.210 207 L C 2.500 179.444 176.870 0.123 0.000 1.076 207 L CA 1.314 56.249 54.840 0.159 0.000 0.749 207 L CB -0.275 41.846 42.059 0.104 0.000 0.893 207 L HN 0.226 nan 8.230 nan 0.000 0.432 208 K N -0.123 120.323 120.400 0.078 0.000 2.288 208 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 208 K C 1.994 178.590 176.600 -0.006 0.000 1.048 208 K CA 1.025 57.329 56.287 0.029 0.000 0.956 208 K CB -0.065 32.441 32.500 0.011 0.000 0.746 208 K HN 0.255 nan 8.250 nan 0.000 0.461 209 A N 0.656 123.466 122.820 -0.016 0.000 2.209 209 A HA -0.099 4.221 4.320 -0.000 0.000 0.212 209 A C 0.651 178.016 177.584 -0.365 0.000 1.158 209 A CA 1.072 53.010 52.037 -0.165 0.000 0.742 209 A CB -0.285 18.602 19.000 -0.189 0.000 0.790 209 A HN 0.316 nan 8.150 nan 0.000 0.472 210 H N -2.603 116.469 119.070 0.003 0.000 2.885 210 H HA 0.381 4.937 4.556 -0.000 0.000 0.254 210 H C 1.220 176.545 175.328 -0.005 0.000 1.185 210 H CA 0.250 56.301 56.048 0.005 0.000 1.029 210 H CB 0.668 30.443 29.762 0.023 0.000 1.743 210 H HN 0.460 nan 8.280 nan 0.000 0.632 211 G N 0.418 109.249 108.800 0.053 0.000 2.159 211 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.256 211 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.256 211 G C 1.210 176.127 174.900 0.028 0.000 0.977 211 G CA 0.283 45.399 45.100 0.027 0.000 0.652 211 G HN 0.607 nan 8.290 nan 0.000 0.531 212 G N 0.505 109.337 108.800 0.052 0.000 3.440 212 G HA2 0.417 4.377 3.960 -0.000 0.000 0.263 212 G HA3 0.417 4.377 3.960 -0.000 0.000 0.263 212 G C 1.198 176.117 174.900 0.032 0.000 1.236 212 G CA 1.009 46.129 45.100 0.034 0.000 0.927 212 G HN 0.727 nan 8.290 nan 0.000 0.530 213 E N 0.721 120.936 120.200 0.025 0.000 2.204 213 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 213 E C 0.911 177.528 176.600 0.028 0.000 0.990 213 E CA 0.662 57.077 56.400 0.024 0.000 0.821 213 E CB -0.260 29.447 29.700 0.011 0.000 0.750 213 E HN 0.286 nan 8.360 nan 0.000 0.477 214 N N 0.725 119.434 118.700 0.015 0.000 2.383 214 N HA 0.162 4.902 4.740 -0.000 0.000 0.192 214 N C 0.135 175.652 175.510 0.011 0.000 1.141 214 N CA 0.125 53.184 53.050 0.015 0.000 0.851 214 N CB 0.425 38.897 38.487 -0.025 0.000 0.976 214 N HN 0.270 nan 8.380 nan 0.000 0.465 215 I N 1.799 122.383 120.570 0.023 0.000 2.371 215 I HA 0.023 4.193 4.170 -0.000 0.000 0.290 215 I C 0.104 176.312 176.117 0.153 0.000 1.028 215 I CA -0.492 60.811 61.300 0.004 0.000 1.345 215 I CB 0.489 38.486 38.000 -0.006 0.000 1.407 215 I HN -0.084 nan 8.210 nan 0.000 0.501 216 H N 6.510 125.525 119.070 -0.091 0.000 2.683 216 H HA 0.375 4.930 4.556 -0.000 0.000 0.339 216 H C -0.110 175.324 175.328 0.177 0.000 1.081 216 H CA -0.241 55.853 56.048 0.077 0.000 1.432 216 H CB 0.673 30.568 29.762 0.222 0.000 1.462 216 H HN 0.377 nan 8.280 nan 0.000 0.557 217 I N 4.653 125.330 120.570 0.178 0.000 2.321 217 I HA 0.102 4.271 4.170 -0.000 0.000 0.291 217 I C -0.205 175.969 176.117 0.096 0.000 0.998 217 I CA -0.523 60.849 61.300 0.119 0.000 1.227 217 I CB 0.886 38.915 38.000 0.049 0.000 1.368 217 I HN 0.274 nan 8.210 nan 0.000 0.466 218 I N 5.349 125.972 120.570 0.087 0.000 2.321 218 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 218 I C 0.360 176.483 176.117 0.011 0.000 0.998 218 I CA -0.181 61.133 61.300 0.024 0.000 1.227 218 I CB 1.211 39.198 38.000 -0.021 0.000 1.368 218 I HN 0.444 nan 8.210 nan 0.000 0.466 219 S N 6.408 122.107 115.700 -0.001 0.000 2.499 219 S HA 0.332 4.802 4.470 -0.000 0.000 0.279 219 S C 0.162 174.765 174.600 0.005 0.000 1.219 219 S CA -0.663 57.533 58.200 -0.007 0.000 1.062 219 S CB 0.740 63.921 63.200 -0.032 0.000 0.978 219 S HN 0.353 nan 8.310 nan 0.000 0.489 220 K N 3.224 123.621 120.400 -0.005 0.000 2.266 220 K HA 0.322 4.642 4.320 -0.000 0.000 0.274 220 K C -0.549 176.034 176.600 -0.028 0.000 1.090 220 K CA -0.353 55.933 56.287 -0.002 0.000 0.925 220 K CB 0.481 32.986 32.500 0.009 0.000 1.225 220 K HN 0.470 nan 8.250 nan 0.000 0.458 221 I N 3.519 124.088 120.570 -0.002 0.000 2.347 221 I HA 0.025 4.195 4.170 -0.000 0.000 0.294 221 I C 0.459 176.547 176.117 -0.048 0.000 1.090 221 I CA 0.541 61.825 61.300 -0.026 0.000 1.314 221 I CB 0.316 38.350 38.000 0.056 0.000 1.423 221 I HN 0.722 nan 8.210 nan 0.000 0.503 222 E N 4.744 124.872 120.200 -0.119 0.000 2.758 222 E HA 0.126 4.476 4.350 -0.000 0.000 0.215 222 E C -0.553 176.047 176.600 -0.000 0.000 0.985 222 E CA -0.263 56.121 56.400 -0.028 0.000 1.102 222 E CB 0.602 30.349 29.700 0.078 0.000 1.042 222 E HN 0.876 nan 8.360 nan 0.000 0.480 223 N N -2.030 116.621 118.700 -0.083 0.000 3.127 223 N HA -0.010 4.730 4.740 -0.000 0.000 0.239 223 N C 0.237 175.734 175.510 -0.022 0.000 1.407 223 N CA -0.648 52.393 53.050 -0.016 0.000 0.891 223 N CB 0.796 39.258 38.487 -0.042 0.000 1.447 223 N HN -0.248 nan 8.380 nan 0.000 0.507 224 Q N 0.284 120.098 119.800 0.023 0.000 2.124 224 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 224 Q C 1.400 177.405 176.000 0.008 0.000 0.977 224 Q CA 2.111 57.925 55.803 0.019 0.000 0.850 224 Q CB -0.117 28.641 28.738 0.033 0.000 0.901 224 Q HN 0.775 nan 8.270 nan 0.000 0.429 225 E N -1.352 118.848 120.200 -0.000 0.000 2.031 225 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 225 E C 1.831 178.411 176.600 -0.033 0.000 0.994 225 E CA 1.173 57.568 56.400 -0.009 0.000 0.800 225 E CB -0.591 29.108 29.700 -0.001 0.000 0.752 225 E HN 0.530 nan 8.360 nan 0.000 0.447 226 G N 1.378 110.122 108.800 -0.093 0.000 2.440 226 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 226 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 226 G C 1.519 176.434 174.900 0.023 0.000 1.154 226 G CA 0.917 45.969 45.100 -0.079 0.000 0.767 226 G HN 0.291 nan 8.290 nan 0.000 0.552 227 L N 1.308 122.544 121.223 0.020 0.000 2.013 227 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 227 L C 2.377 179.298 176.870 0.085 0.000 1.073 227 L CA 2.383 57.257 54.840 0.057 0.000 0.753 227 L CB -0.850 41.217 42.059 0.013 0.000 0.890 227 L HN 0.295 nan 8.230 nan 0.000 0.432 228 N N -0.743 117.987 118.700 0.050 0.000 2.270 228 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 228 N C 0.927 176.472 175.510 0.059 0.000 1.016 228 N CA 1.053 54.133 53.050 0.049 0.000 0.870 228 N CB -0.160 38.344 38.487 0.028 0.000 0.979 228 N HN 0.346 nan 8.380 nan 0.000 0.431 229 N N 0.116 118.844 118.700 0.047 0.000 2.314 229 N HA 0.014 4.754 4.740 -0.000 0.000 0.200 229 N C 0.664 176.183 175.510 0.014 0.000 1.135 229 N CA -0.088 52.975 53.050 0.021 0.000 0.835 229 N CB -0.039 38.440 38.487 -0.012 0.000 0.989 229 N HN 0.214 nan 8.380 nan 0.000 0.478 230 F N 2.364 122.295 119.950 -0.031 0.000 2.091 230 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 230 F C 1.579 177.364 175.800 -0.025 0.000 1.103 230 F CA 1.679 59.660 58.000 -0.031 0.000 1.228 230 F CB 0.072 39.057 39.000 -0.025 0.000 0.984 230 F HN -0.030 nan 8.300 nan 0.000 0.477 231 D N 0.148 120.481 120.400 -0.113 0.000 2.144 231 D HA -0.225 4.415 4.640 -0.000 0.000 0.199 231 D C 2.156 178.314 176.300 -0.237 0.000 0.984 231 D CA 1.707 55.604 54.000 -0.171 0.000 0.834 231 D CB -0.548 40.255 40.800 0.005 0.000 0.955 231 D HN 0.720 nan 8.370 nan 0.000 0.465 232 E N 0.616 120.715 120.200 -0.168 0.000 2.158 232 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 232 E C 2.160 178.656 176.600 -0.174 0.000 0.982 232 E CA 0.416 56.735 56.400 -0.135 0.000 0.823 232 E CB -0.365 29.289 29.700 -0.077 0.000 0.766 232 E HN 0.206 nan 8.360 nan 0.000 0.468 233 I N 0.775 121.207 120.570 -0.230 0.000 2.286 233 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 233 I C 2.423 178.352 176.117 -0.313 0.000 1.115 233 I CA 0.562 61.719 61.300 -0.238 0.000 1.392 233 I CB -0.153 37.712 38.000 -0.225 0.000 1.065 233 I HN 0.222 nan 8.210 nan 0.000 0.418 234 L N 0.624 121.538 121.223 -0.515 0.000 2.044 234 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 234 L C 2.453 179.175 176.870 -0.246 0.000 1.075 234 L CA 1.846 56.399 54.840 -0.478 0.000 0.747 234 L CB -0.855 40.747 42.059 -0.762 0.000 0.903 234 L HN 0.196 nan 8.230 nan 0.000 0.435 235 E N -0.041 120.039 120.200 -0.200 0.000 2.110 235 E HA -0.219 4.130 4.350 -0.000 0.000 0.193 235 E C 1.943 178.480 176.600 -0.104 0.000 0.988 235 E CA 1.313 57.639 56.400 -0.123 0.000 0.804 235 E CB 0.029 29.672 29.700 -0.095 0.000 0.745 235 E HN 0.586 nan 8.360 nan 0.000 0.458 236 A N 0.522 123.276 122.820 -0.110 0.000 1.968 236 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 236 A C 1.710 179.244 177.584 -0.084 0.000 1.169 236 A CA 0.807 52.794 52.037 -0.084 0.000 0.638 236 A CB -0.061 18.895 19.000 -0.073 0.000 0.812 236 A HN 0.212 nan 8.150 nan 0.000 0.446 237 S N -0.308 115.331 115.700 -0.101 0.000 2.671 237 S HA 0.283 4.753 4.470 -0.000 0.000 0.272 237 S C 0.162 174.702 174.600 -0.101 0.000 1.174 237 S CA -0.350 57.799 58.200 -0.085 0.000 1.004 237 S CB 0.617 63.769 63.200 -0.081 0.000 1.077 237 S HN 0.430 nan 8.310 nan 0.000 0.553 238 D N -0.116 120.227 120.400 -0.095 0.000 2.392 238 D HA 0.283 4.923 4.640 -0.000 0.000 0.206 238 D C 0.721 176.993 176.300 -0.047 0.000 1.046 238 D CA 0.408 54.323 54.000 -0.141 0.000 0.865 238 D CB 0.710 41.331 40.800 -0.299 0.000 0.969 238 D HN 0.594 nan 8.370 nan 0.000 0.509 239 G N 0.108 108.893 108.800 -0.025 0.000 2.554 239 G HA2 0.498 4.458 3.960 -0.000 0.000 0.306 239 G HA3 0.498 4.458 3.960 -0.000 0.000 0.306 239 G C -1.864 173.033 174.900 -0.006 0.000 1.320 239 G CA -0.464 44.627 45.100 -0.015 0.000 0.800 239 G HN -0.068 nan 8.290 nan 0.000 0.481 240 I N 0.572 121.151 120.570 0.014 0.000 2.607 240 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 240 I C -0.737 175.393 176.117 0.022 0.000 1.129 240 I CA -0.490 60.846 61.300 0.059 0.000 1.042 240 I CB 1.999 40.114 38.000 0.193 0.000 1.242 240 I HN 0.587 nan 8.210 nan 0.000 0.421 241 M N 6.384 125.993 119.600 0.016 0.000 2.101 241 M HA 0.410 4.890 4.480 -0.000 0.000 0.340 241 M C -1.164 175.141 176.300 0.007 0.000 1.057 241 M CA -0.692 54.605 55.300 -0.005 0.000 0.984 241 M CB 1.202 33.792 32.600 -0.015 0.000 1.560 241 M HN 0.295 nan 8.290 nan 0.000 0.435 242 V N 5.333 125.245 119.914 -0.004 0.000 2.352 242 V HA 0.263 4.383 4.120 -0.000 0.000 0.253 242 V C 0.518 176.605 176.094 -0.012 0.000 1.083 242 V CA -0.357 61.935 62.300 -0.013 0.000 0.993 242 V CB 0.014 31.818 31.823 -0.031 0.000 1.111 242 V HN 0.864 nan 8.190 nan 0.000 0.490 243 A N 6.874 129.692 122.820 -0.004 0.000 2.774 243 A HA 0.382 4.702 4.320 -0.000 0.000 0.326 243 A C 1.536 179.122 177.584 0.004 0.000 1.478 243 A CA -0.628 51.412 52.037 0.004 0.000 1.099 243 A CB -0.061 18.950 19.000 0.018 0.000 1.148 243 A HN 0.800 nan 8.150 nan 0.000 0.519 244 R N 1.795 122.292 120.500 -0.005 0.000 2.148 244 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 244 R C 1.621 177.923 176.300 0.003 0.000 1.088 244 R CA 1.456 57.551 56.100 -0.008 0.000 0.985 244 R CB -1.034 29.253 30.300 -0.022 0.000 0.880 244 R HN 0.537 nan 8.270 nan 0.000 0.451 245 G N 2.406 111.211 108.800 0.008 0.000 2.480 245 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 245 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 245 G C 0.780 175.697 174.900 0.028 0.000 1.200 245 G CA 1.203 46.312 45.100 0.016 0.000 0.782 245 G HN 0.293 nan 8.290 nan 0.000 0.554 246 D N 0.439 120.861 120.400 0.038 0.000 2.092 246 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 246 D C 2.490 178.828 176.300 0.063 0.000 0.994 246 D CA 0.415 54.452 54.000 0.061 0.000 0.828 246 D CB -0.694 40.154 40.800 0.079 0.000 0.963 246 D HN 0.256 nan 8.370 nan 0.000 0.450 247 L N 0.854 122.103 121.223 0.044 0.000 2.043 247 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 247 L C 2.399 179.290 176.870 0.036 0.000 1.075 247 L CA 1.724 56.584 54.840 0.035 0.000 0.752 247 L CB -0.684 41.381 42.059 0.010 0.000 0.891 247 L HN 0.111 nan 8.230 nan 0.000 0.432 248 G N -0.808 108.008 108.800 0.027 0.000 2.476 248 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.218 248 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.218 248 G C 1.520 176.439 174.900 0.032 0.000 1.164 248 G CA 1.021 46.136 45.100 0.024 0.000 0.768 248 G HN 0.294 nan 8.290 nan 0.000 0.560 249 V N 0.529 120.467 119.914 0.039 0.000 2.418 249 V HA -0.267 3.853 4.120 -0.000 0.000 0.258 249 V C 2.502 178.626 176.094 0.050 0.000 1.088 249 V CA 2.555 64.881 62.300 0.044 0.000 1.091 249 V CB -0.381 31.473 31.823 0.052 0.000 0.669 249 V HN 0.534 nan 8.190 nan 0.000 0.461 250 E N -1.048 119.187 120.200 0.057 0.000 2.389 250 E HA 0.268 4.618 4.350 -0.000 0.000 0.199 250 E C 0.607 177.235 176.600 0.047 0.000 0.978 250 E CA 0.081 56.518 56.400 0.062 0.000 0.912 250 E CB 0.495 30.246 29.700 0.084 0.000 0.907 250 E HN 0.816 nan 8.360 nan 0.000 0.494 251 I N -2.941 117.652 120.570 0.038 0.000 3.002 251 I HA 0.581 4.751 4.170 -0.000 0.000 0.310 251 I C -2.556 173.579 176.117 0.030 0.000 1.087 251 I CA -3.030 58.289 61.300 0.032 0.000 1.017 251 I CB 1.843 39.861 38.000 0.029 0.000 1.226 251 I HN -0.300 nan 8.210 nan 0.000 0.443 252 P HA 0.008 nan 4.420 nan 0.000 0.264 252 P C 1.198 178.518 177.300 0.034 0.000 1.193 252 P CA -0.241 62.877 63.100 0.030 0.000 0.763 252 P CB 1.038 32.756 31.700 0.030 0.000 0.810 253 V N 2.240 122.172 119.914 0.029 0.000 2.317 253 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 253 V C 2.047 178.162 176.094 0.036 0.000 1.065 253 V CA 2.237 64.552 62.300 0.025 0.000 1.049 253 V CB -1.586 30.248 31.823 0.018 0.000 0.651 253 V HN 0.635 nan 8.190 nan 0.000 0.450 254 E N 0.437 120.669 120.200 0.053 0.000 2.516 254 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 254 E C 1.507 178.205 176.600 0.164 0.000 1.069 254 E CA 1.114 57.569 56.400 0.091 0.000 0.876 254 E CB -0.190 29.560 29.700 0.083 0.000 0.843 254 E HN 0.720 nan 8.360 nan 0.000 0.530 255 E N 0.512 120.784 120.200 0.120 0.000 2.460 255 E HA 0.061 4.411 4.350 -0.000 0.000 0.200 255 E C 2.109 178.779 176.600 0.118 0.000 1.011 255 E CA 0.274 56.763 56.400 0.147 0.000 0.912 255 E CB 0.544 30.291 29.700 0.079 0.000 0.953 255 E HN 0.153 nan 8.360 nan 0.000 0.494 256 V N 1.833 121.779 119.914 0.053 0.000 2.379 256 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 256 V C 2.438 178.512 176.094 -0.033 0.000 1.044 256 V CA 1.616 63.921 62.300 0.008 0.000 1.036 256 V CB -0.732 31.088 31.823 -0.005 0.000 0.664 256 V HN 0.223 nan 8.190 nan 0.000 0.453 257 I N -1.763 118.749 120.570 -0.098 0.000 2.226 257 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 257 I C 2.273 178.257 176.117 -0.220 0.000 1.100 257 I CA 1.833 63.006 61.300 -0.211 0.000 1.374 257 I CB -1.035 36.736 38.000 -0.381 0.000 1.057 257 I HN 0.105 nan 8.210 nan 0.000 0.413 258 F N 1.708 121.632 119.950 -0.043 0.000 2.216 258 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 258 F C 2.649 178.405 175.800 -0.074 0.000 1.085 258 F CA 1.032 59.002 58.000 -0.050 0.000 1.326 258 F CB -0.980 37.997 39.000 -0.039 0.000 1.027 258 F HN 0.112 nan 8.300 nan 0.000 0.497 259 A N -0.484 122.385 122.820 0.081 0.000 1.877 259 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 259 A C 2.239 179.763 177.584 -0.099 0.000 1.186 259 A CA 1.762 53.782 52.037 -0.028 0.000 0.620 259 A CB -0.959 18.022 19.000 -0.031 0.000 0.822 259 A HN 0.422 nan 8.150 nan 0.000 0.443 260 Q N -0.206 119.546 119.800 -0.081 0.000 2.030 260 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 260 Q C 2.084 178.027 176.000 -0.095 0.000 0.986 260 Q CA 2.146 57.892 55.803 -0.096 0.000 0.843 260 Q CB -0.171 28.516 28.738 -0.085 0.000 0.904 260 Q HN 0.683 nan 8.270 nan 0.000 0.420 261 K N -0.010 120.348 120.400 -0.070 0.000 2.032 261 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 261 K C 2.215 178.793 176.600 -0.036 0.000 1.048 261 K CA 1.554 57.817 56.287 -0.041 0.000 0.927 261 K CB -0.262 32.229 32.500 -0.014 0.000 0.712 261 K HN 0.333 nan 8.250 nan 0.000 0.441 262 M N 0.667 120.241 119.600 -0.044 0.000 2.080 262 M HA -0.197 4.282 4.480 -0.000 0.000 0.260 262 M C 1.979 178.164 176.300 -0.190 0.000 1.068 262 M CA 1.803 57.052 55.300 -0.084 0.000 1.109 262 M CB -0.158 32.385 32.600 -0.095 0.000 1.342 262 M HN 0.214 nan 8.290 nan 0.000 0.405 263 M N -0.530 118.866 119.600 -0.339 0.000 2.254 263 M HA -0.150 4.330 4.480 -0.000 0.000 0.265 263 M C 2.036 178.241 176.300 -0.159 0.000 1.066 263 M CA 1.178 56.153 55.300 -0.541 0.000 1.123 263 M CB -0.396 31.791 32.600 -0.688 0.000 1.388 263 M HN 0.284 nan 8.290 nan 0.000 0.425 264 I N 0.187 120.705 120.570 -0.086 0.000 2.252 264 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 264 I C 2.654 178.791 176.117 0.032 0.000 1.102 264 I CA 1.316 62.612 61.300 -0.006 0.000 1.385 264 I CB -0.477 37.524 38.000 0.002 0.000 1.064 264 I HN 0.403 nan 8.210 nan 0.000 0.414 265 E N 1.949 122.160 120.200 0.019 0.000 2.047 265 E HA -0.256 4.094 4.350 -0.000 0.000 0.191 265 E C 2.072 178.707 176.600 0.059 0.000 0.987 265 E CA 1.320 57.747 56.400 0.045 0.000 0.799 265 E CB -0.011 29.707 29.700 0.030 0.000 0.752 265 E HN 0.404 nan 8.360 nan 0.000 0.449 266 K N 0.029 120.470 120.400 0.068 0.000 2.103 266 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 266 K C 2.353 179.046 176.600 0.155 0.000 1.048 266 K CA 1.564 57.939 56.287 0.147 0.000 0.930 266 K CB -0.212 32.466 32.500 0.297 0.000 0.716 266 K HN 0.277 nan 8.250 nan 0.000 0.444 267 C N 0.647 120.039 119.300 0.153 0.000 2.446 267 C HA -0.035 4.425 4.460 -0.000 0.000 0.277 267 C C 2.521 177.532 174.990 0.034 0.000 1.275 267 C CA 0.284 59.366 59.018 0.106 0.000 1.727 267 C CB -0.653 27.148 27.740 0.101 0.000 2.010 267 C HN 0.399 nan 8.230 nan 0.000 0.486 268 I N 0.554 121.141 120.570 0.028 0.000 2.163 268 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 268 I C 2.820 178.913 176.117 -0.042 0.000 1.085 268 I CA 1.607 62.898 61.300 -0.016 0.000 1.347 268 I CB -0.542 37.496 38.000 0.063 0.000 1.044 268 I HN 0.292 nan 8.210 nan 0.000 0.408 269 R N 0.688 121.189 120.500 0.001 0.000 2.073 269 R HA -0.128 4.211 4.340 -0.000 0.000 0.234 269 R C 2.272 178.562 176.300 -0.017 0.000 1.134 269 R CA 1.611 57.706 56.100 -0.009 0.000 0.952 269 R CB -0.351 29.966 30.300 0.027 0.000 0.850 269 R HN 0.391 nan 8.270 nan 0.000 0.433 270 A N 0.323 123.143 122.820 -0.000 0.000 2.209 270 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 270 A C 0.326 177.896 177.584 -0.024 0.000 1.158 270 A CA 0.518 52.550 52.037 -0.008 0.000 0.742 270 A CB -0.103 18.894 19.000 -0.005 0.000 0.790 270 A HN 0.383 nan 8.150 nan 0.000 0.472 271 R N -1.314 119.160 120.500 -0.043 0.000 3.332 271 R HA -0.129 4.211 4.340 -0.000 0.000 0.263 271 R C -0.998 175.283 176.300 -0.031 0.000 1.053 271 R CA 1.274 57.343 56.100 -0.052 0.000 0.705 271 R CB -2.070 28.207 30.300 -0.038 0.000 1.166 271 R HN 0.622 nan 8.270 nan 0.000 0.427 272 K N 0.099 120.483 120.400 -0.027 0.000 2.378 272 K HA 0.460 4.780 4.320 -0.000 0.000 0.252 272 K C 0.193 176.785 176.600 -0.013 0.000 0.931 272 K CA -0.818 55.461 56.287 -0.014 0.000 0.794 272 K CB 2.375 34.864 32.500 -0.020 0.000 1.181 272 K HN 0.047 nan 8.250 nan 0.000 0.425 273 V N 0.046 119.956 119.914 -0.007 0.000 2.872 273 V HA 0.280 4.400 4.120 -0.000 0.000 0.307 273 V C -0.093 175.975 176.094 -0.043 0.000 1.072 273 V CA -0.416 61.859 62.300 -0.041 0.000 1.148 273 V CB 1.243 33.017 31.823 -0.081 0.000 0.954 273 V HN 0.509 nan 8.190 nan 0.000 0.490 274 V N 6.276 126.162 119.914 -0.046 0.000 2.577 274 V HA 0.564 4.684 4.120 -0.000 0.000 0.303 274 V C -0.281 175.784 176.094 -0.048 0.000 1.042 274 V CA -0.611 61.672 62.300 -0.027 0.000 0.872 274 V CB 1.615 33.443 31.823 0.008 0.000 0.998 274 V HN 0.912 nan 8.190 nan 0.000 0.423 275 I N 5.085 125.621 120.570 -0.057 0.000 2.437 275 I HA 0.429 4.598 4.170 -0.000 0.000 0.298 275 I C 0.143 176.239 176.117 -0.035 0.000 0.984 275 I CA -0.411 60.853 61.300 -0.059 0.000 1.214 275 I CB 2.054 40.005 38.000 -0.081 0.000 1.365 275 I HN 0.470 nan 8.210 nan 0.000 0.469 276 T N 4.902 119.439 114.554 -0.029 0.000 2.749 276 T HA 0.460 4.810 4.350 -0.000 0.000 0.287 276 T C 0.594 175.282 174.700 -0.021 0.000 0.970 276 T CA -0.322 61.764 62.100 -0.023 0.000 0.980 276 T CB 1.755 70.611 68.868 -0.021 0.000 0.924 276 T HN 0.808 nan 8.240 nan 0.000 0.456 277 A N 3.085 125.895 122.820 -0.017 0.000 1.997 277 A HA 0.346 4.665 4.320 -0.000 0.000 0.198 277 A C 1.284 178.866 177.584 -0.005 0.000 1.449 277 A CA 0.016 52.046 52.037 -0.012 0.000 0.908 277 A CB 0.004 18.998 19.000 -0.010 0.000 0.984 277 A HN 0.708 nan 8.150 nan 0.000 0.487 278 T N -3.177 111.376 114.554 -0.003 0.000 2.902 278 T HA 0.525 4.875 4.350 -0.000 0.000 0.283 278 T C 0.208 174.908 174.700 0.000 0.000 1.009 278 T CA -0.026 62.076 62.100 0.004 0.000 1.051 278 T CB 0.916 69.790 68.868 0.010 0.000 0.999 278 T HN 0.636 nan 8.240 nan 0.000 0.474 279 M N 1.015 120.618 119.600 0.004 0.000 2.417 279 M HA -0.187 4.293 4.480 -0.000 0.000 0.205 279 M C 0.362 176.660 176.300 -0.003 0.000 0.452 279 M CA 0.076 55.377 55.300 0.002 0.000 0.512 279 M CB -1.661 30.938 32.600 -0.001 0.000 1.774 279 M HN 0.619 nan 8.290 nan 0.000 0.874 280 M N -0.033 119.566 119.600 -0.001 0.000 2.121 280 M HA 0.222 4.702 4.480 -0.000 0.000 0.250 280 M C 1.308 177.606 176.300 -0.004 0.000 1.120 280 M CA 1.608 56.905 55.300 -0.004 0.000 1.141 280 M CB -0.277 32.321 32.600 -0.003 0.000 1.254 280 M HN 0.539 nan 8.290 nan 0.000 0.433 281 L N 0.496 121.719 121.223 0.001 0.000 2.999 281 L HA 0.181 4.521 4.340 -0.000 0.000 0.263 281 L C 0.441 177.315 176.870 0.006 0.000 1.320 281 L CA -0.431 54.409 54.840 0.000 0.000 0.913 281 L CB 0.363 42.422 42.059 0.000 0.000 1.296 281 L HN 0.161 nan 8.230 nan 0.000 0.546 282 D N 0.495 120.898 120.400 0.006 0.000 2.178 282 D HA -0.160 4.479 4.640 -0.000 0.000 0.201 282 D C 2.214 178.522 176.300 0.014 0.000 0.980 282 D CA 1.754 55.761 54.000 0.012 0.000 0.842 282 D CB 0.327 41.133 40.800 0.011 0.000 0.948 282 D HN 0.470 nan 8.370 nan 0.000 0.472 283 S N 0.101 115.804 115.700 0.005 0.000 2.402 283 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 283 S C 1.933 176.536 174.600 0.007 0.000 1.030 283 S CA 0.816 59.017 58.200 0.001 0.000 1.003 283 S CB -0.497 62.695 63.200 -0.013 0.000 0.813 283 S HN 0.270 nan 8.310 nan 0.000 0.477 284 M N 0.412 120.017 119.600 0.008 0.000 2.700 284 M HA 0.171 4.651 4.480 -0.000 0.000 0.249 284 M C 1.264 177.629 176.300 0.109 0.000 1.082 284 M CA 0.665 55.979 55.300 0.023 0.000 1.077 284 M CB -0.660 31.950 32.600 0.017 0.000 1.477 284 M HN 0.338 nan 8.290 nan 0.000 0.529 285 I N 0.129 120.750 120.570 0.086 0.000 3.111 285 I HA -0.204 3.966 4.170 -0.000 0.000 0.272 285 I C 1.822 178.017 176.117 0.130 0.000 1.268 285 I CA 1.214 62.572 61.300 0.098 0.000 1.467 285 I CB -0.046 37.985 38.000 0.052 0.000 1.087 285 I HN 0.234 nan 8.210 nan 0.000 0.467 286 K N -0.456 120.020 120.400 0.128 0.000 2.464 286 K HA 0.271 4.591 4.320 -0.000 0.000 0.206 286 K C -0.061 176.628 176.600 0.147 0.000 1.186 286 K CA 0.103 56.472 56.287 0.137 0.000 0.990 286 K CB 0.597 33.138 32.500 0.067 0.000 1.003 286 K HN 0.214 nan 8.250 nan 0.000 0.562 287 N N 1.483 120.194 118.700 0.018 0.000 2.242 287 N HA 0.190 4.930 4.740 -0.000 0.000 0.292 287 N C -2.756 172.400 175.510 -0.590 0.000 1.125 287 N CA -1.459 51.439 53.050 -0.254 0.000 0.783 287 N CB 2.466 40.865 38.487 -0.145 0.000 1.558 287 N HN -0.212 nan 8.380 nan 0.000 0.472 288 P HA 0.207 nan 4.420 nan 0.000 0.249 288 P C -0.589 176.518 177.300 -0.321 0.000 1.583 288 P CA 0.293 62.893 63.100 -0.833 0.000 0.988 288 P CB 0.280 31.392 31.700 -0.980 0.000 1.530 289 R N 0.795 121.157 120.500 -0.230 0.000 2.579 289 R HA 0.408 4.747 4.340 -0.000 0.000 0.260 289 R C -3.046 173.200 176.300 -0.090 0.000 1.103 289 R CA -1.555 54.469 56.100 -0.127 0.000 0.942 289 R CB 2.503 32.734 30.300 -0.115 0.000 1.251 289 R HN -0.096 nan 8.270 nan 0.000 0.450 290 P HA 0.207 nan 4.420 nan 0.000 0.285 290 P C -0.729 176.549 177.300 -0.035 0.000 1.269 290 P CA -0.368 62.708 63.100 -0.040 0.000 0.844 290 P CB 1.192 32.876 31.700 -0.028 0.000 1.094 291 T N 2.089 116.626 114.554 -0.028 0.000 2.930 291 T HA 0.010 4.360 4.350 -0.000 0.000 0.306 291 T C 1.604 176.291 174.700 -0.022 0.000 1.045 291 T CA -0.204 61.882 62.100 -0.024 0.000 1.134 291 T CB 0.147 69.004 68.868 -0.019 0.000 0.961 291 T HN 0.448 nan 8.240 nan 0.000 0.545 292 R N 2.456 122.944 120.500 -0.021 0.000 2.200 292 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 292 R C 1.912 178.201 176.300 -0.019 0.000 1.127 292 R CA 1.843 57.931 56.100 -0.019 0.000 0.989 292 R CB -0.748 29.541 30.300 -0.018 0.000 0.869 292 R HN 0.666 nan 8.270 nan 0.000 0.459 293 A N 0.759 123.568 122.820 -0.018 0.000 2.016 293 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 293 A C 1.946 179.518 177.584 -0.020 0.000 1.162 293 A CA 0.834 52.859 52.037 -0.019 0.000 0.662 293 A CB -0.128 18.862 19.000 -0.018 0.000 0.812 293 A HN 0.487 nan 8.150 nan 0.000 0.450 294 E N 0.082 120.271 120.200 -0.018 0.000 2.031 294 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 294 E C 2.366 178.955 176.600 -0.017 0.000 0.994 294 E CA 1.062 57.452 56.400 -0.017 0.000 0.800 294 E CB -0.320 29.371 29.700 -0.015 0.000 0.752 294 E HN 0.571 nan 8.360 nan 0.000 0.447 295 A N 1.087 123.896 122.820 -0.017 0.000 1.903 295 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 295 A C 2.446 180.019 177.584 -0.018 0.000 1.191 295 A CA 2.091 54.118 52.037 -0.016 0.000 0.638 295 A CB -1.477 17.514 19.000 -0.016 0.000 0.823 295 A HN 0.404 nan 8.150 nan 0.000 0.451 296 G N -0.601 108.186 108.800 -0.020 0.000 2.422 296 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 296 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 296 G C 1.277 176.160 174.900 -0.028 0.000 1.146 296 G CA 1.537 46.623 45.100 -0.024 0.000 0.769 296 G HN 0.649 nan 8.290 nan 0.000 0.547 297 D N -0.486 119.897 120.400 -0.028 0.000 2.162 297 D HA -0.052 4.588 4.640 -0.000 0.000 0.203 297 D C 2.495 178.778 176.300 -0.029 0.000 0.967 297 D CA 0.659 54.639 54.000 -0.033 0.000 0.840 297 D CB 0.001 40.783 40.800 -0.030 0.000 0.972 297 D HN 0.133 nan 8.370 nan 0.000 0.482 298 V N 0.547 120.448 119.914 -0.021 0.000 2.379 298 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 298 V C 2.530 178.615 176.094 -0.014 0.000 1.044 298 V CA 1.601 63.891 62.300 -0.016 0.000 1.036 298 V CB -0.684 31.133 31.823 -0.011 0.000 0.664 298 V HN 0.355 nan 8.190 nan 0.000 0.453 299 A N 0.152 122.963 122.820 -0.016 0.000 1.898 299 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 299 A C 2.096 179.668 177.584 -0.020 0.000 1.181 299 A CA 1.867 53.896 52.037 -0.014 0.000 0.620 299 A CB -0.650 18.341 19.000 -0.015 0.000 0.819 299 A HN 0.572 nan 8.150 nan 0.000 0.442 300 N N 0.347 119.029 118.700 -0.030 0.000 2.166 300 N HA -0.134 4.605 4.740 -0.000 0.000 0.186 300 N C 1.933 177.420 175.510 -0.038 0.000 1.019 300 N CA 1.426 54.451 53.050 -0.041 0.000 0.856 300 N CB -0.390 38.064 38.487 -0.056 0.000 0.993 300 N HN 0.481 nan 8.380 nan 0.000 0.426 301 A N 1.457 124.258 122.820 -0.031 0.000 1.902 301 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 301 A C 2.333 179.916 177.584 -0.001 0.000 1.181 301 A CA 0.828 52.851 52.037 -0.023 0.000 0.623 301 A CB -0.609 18.378 19.000 -0.022 0.000 0.818 301 A HN 0.187 nan 8.150 nan 0.000 0.443 302 I N -0.257 120.317 120.570 0.006 0.000 2.163 302 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 302 I C 2.366 178.504 176.117 0.035 0.000 1.085 302 I CA 1.295 62.614 61.300 0.031 0.000 1.347 302 I CB -0.384 37.631 38.000 0.026 0.000 1.044 302 I HN 0.301 nan 8.210 nan 0.000 0.408 303 L N 0.217 121.437 121.223 -0.004 0.000 2.127 303 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 303 L C 2.085 178.921 176.870 -0.055 0.000 1.089 303 L CA 1.158 55.974 54.840 -0.039 0.000 0.757 303 L CB -0.739 41.292 42.059 -0.046 0.000 0.899 303 L HN 0.296 nan 8.230 nan 0.000 0.434 304 D N 0.122 120.504 120.400 -0.029 0.000 2.178 304 D HA -0.103 4.536 4.640 -0.000 0.000 0.201 304 D C 1.588 177.905 176.300 0.029 0.000 0.980 304 D CA 1.556 55.543 54.000 -0.021 0.000 0.842 304 D CB 0.065 40.852 40.800 -0.022 0.000 0.948 304 D HN 0.469 nan 8.370 nan 0.000 0.472 305 G N 0.404 109.264 108.800 0.099 0.000 2.148 305 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.120 305 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.120 305 G C 0.383 175.430 174.900 0.245 0.000 1.034 305 G CA 0.169 45.471 45.100 0.337 0.000 0.710 305 G HN 0.312 nan 8.290 nan 0.000 0.495 306 T N -1.252 113.371 114.554 0.114 0.000 2.791 306 T HA 0.359 4.708 4.350 -0.000 0.000 0.323 306 T C 0.922 175.635 174.700 0.021 0.000 1.082 306 T CA 0.906 63.035 62.100 0.048 0.000 1.084 306 T CB 1.304 70.182 68.868 0.016 0.000 0.992 306 T HN 0.030 nan 8.240 nan 0.000 0.547 307 D N 0.543 120.928 120.400 -0.025 0.000 2.201 307 D HA 0.389 5.029 4.640 -0.000 0.000 0.209 307 D C 0.663 176.943 176.300 -0.034 0.000 0.961 307 D CA 1.057 55.027 54.000 -0.050 0.000 0.861 307 D CB 0.145 40.903 40.800 -0.071 0.000 0.997 307 D HN 0.846 nan 8.370 nan 0.000 0.486 308 A N -0.028 122.770 122.820 -0.037 0.000 2.515 308 A HA 0.617 4.937 4.320 -0.000 0.000 0.298 308 A C -1.121 176.446 177.584 -0.028 0.000 1.059 308 A CA -0.786 51.229 52.037 -0.036 0.000 0.698 308 A CB 1.389 20.352 19.000 -0.062 0.000 1.289 308 A HN 0.029 nan 8.150 nan 0.000 0.404 309 V N -0.432 119.471 119.914 -0.019 0.000 2.581 309 V HA 0.806 4.926 4.120 -0.000 0.000 0.303 309 V C -0.067 176.017 176.094 -0.017 0.000 1.041 309 V CA -0.741 61.550 62.300 -0.015 0.000 0.907 309 V CB 1.516 33.335 31.823 -0.007 0.000 0.994 309 V HN 0.993 nan 8.190 nan 0.000 0.442 310 M N 4.541 124.132 119.600 -0.016 0.000 2.364 310 M HA 0.588 5.068 4.480 -0.000 0.000 0.334 310 M C -1.614 174.683 176.300 -0.004 0.000 1.107 310 M CA -0.748 54.544 55.300 -0.013 0.000 0.988 310 M CB 1.796 34.385 32.600 -0.018 0.000 1.673 310 M HN 0.718 nan 8.290 nan 0.000 0.441 311 L N 3.516 124.739 121.223 0.000 0.000 2.280 311 L HA 0.358 4.698 4.340 -0.000 0.000 0.287 311 L C 0.277 177.153 176.870 0.009 0.000 1.023 311 L CA -0.297 54.547 54.840 0.007 0.000 0.819 311 L CB 1.741 43.806 42.059 0.011 0.000 1.212 311 L HN 0.847 nan 8.230 nan 0.000 0.420 312 S N 1.836 117.543 115.700 0.012 0.000 2.582 312 S HA 0.085 4.555 4.470 -0.000 0.000 0.159 312 S C 1.685 176.294 174.600 0.016 0.000 0.918 312 S CA 0.441 58.651 58.200 0.016 0.000 1.287 312 S CB -0.295 62.917 63.200 0.021 0.000 0.667 312 S HN 0.830 nan 8.310 nan 0.000 0.462 313 G N 1.131 109.941 108.800 0.017 0.000 2.448 313 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 313 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 313 G C 1.032 175.941 174.900 0.015 0.000 1.127 313 G CA 0.871 45.977 45.100 0.010 0.000 0.766 313 G HN 0.545 nan 8.290 nan 0.000 0.552 314 E N 0.986 121.201 120.200 0.024 0.000 2.171 314 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 314 E C 2.646 179.268 176.600 0.037 0.000 0.997 314 E CA 1.696 58.118 56.400 0.037 0.000 0.810 314 E CB -0.091 29.630 29.700 0.035 0.000 0.738 314 E HN 0.613 nan 8.360 nan 0.000 0.467 315 S N -1.267 114.448 115.700 0.024 0.000 2.505 315 S HA 0.410 4.880 4.470 -0.000 0.000 0.216 315 S C 1.810 176.416 174.600 0.010 0.000 1.018 315 S CA 0.030 58.242 58.200 0.020 0.000 0.911 315 S CB 0.649 63.860 63.200 0.019 0.000 0.818 315 S HN 0.262 nan 8.310 nan 0.000 0.497 316 A N 3.274 126.096 122.820 0.004 0.000 1.887 316 A HA 0.248 4.568 4.320 -0.000 0.000 0.210 316 A C 2.053 179.622 177.584 -0.025 0.000 1.221 316 A CA 0.993 53.024 52.037 -0.009 0.000 0.635 316 A CB -0.165 18.828 19.000 -0.013 0.000 0.881 316 A HN 0.599 nan 8.150 nan 0.000 0.456 317 K N -1.257 119.127 120.400 -0.027 0.000 2.399 317 K HA 0.299 4.618 4.320 -0.000 0.000 0.196 317 K C 1.125 177.710 176.600 -0.026 0.000 1.117 317 K CA 0.472 56.736 56.287 -0.038 0.000 0.965 317 K CB -0.202 32.268 32.500 -0.051 0.000 0.983 317 K HN 0.262 nan 8.250 nan 0.000 0.531 318 G N 0.838 109.635 108.800 -0.005 0.000 2.683 318 G HA2 0.269 4.229 3.960 -0.000 0.000 0.260 318 G HA3 0.269 4.229 3.960 -0.000 0.000 0.260 318 G C 0.755 175.636 174.900 -0.031 0.000 1.238 318 G CA 0.234 45.340 45.100 0.011 0.000 0.934 318 G HN 0.316 nan 8.290 nan 0.000 0.534 319 K N -1.390 118.977 120.400 -0.055 0.000 2.400 319 K HA 0.206 4.526 4.320 -0.000 0.000 0.194 319 K C 0.558 176.839 176.600 -0.532 0.000 1.033 319 K CA 0.764 56.865 56.287 -0.310 0.000 1.021 319 K CB -0.219 32.021 32.500 -0.433 0.000 0.808 319 K HN 0.594 nan 8.250 nan 0.000 0.505 320 Y N 0.125 120.424 120.300 -0.003 0.000 2.473 320 Y HA 0.199 4.749 4.550 -0.000 0.000 0.345 320 Y C -1.804 174.095 175.900 -0.001 0.000 0.932 320 Y CA -2.258 55.841 58.100 -0.001 0.000 1.124 320 Y CB 1.616 40.075 38.460 -0.001 0.000 1.162 320 Y HN 0.082 nan 8.280 nan 0.000 0.629 321 P HA -0.151 nan 4.420 nan 0.000 0.218 321 P C 1.643 178.978 177.300 0.058 0.000 1.152 321 P CA 0.944 64.079 63.100 0.059 0.000 0.826 321 P CB 0.732 32.447 31.700 0.024 0.000 0.790 322 L N -0.204 121.053 121.223 0.056 0.000 2.291 322 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 322 L C 2.110 179.015 176.870 0.059 0.000 1.120 322 L CA 1.717 56.586 54.840 0.048 0.000 0.799 322 L CB -0.973 41.109 42.059 0.039 0.000 0.925 322 L HN -0.207 nan 8.230 nan 0.000 0.446 323 E N -0.531 119.724 120.200 0.091 0.000 2.046 323 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 323 E C 2.283 178.911 176.600 0.047 0.000 0.982 323 E CA 1.256 57.703 56.400 0.077 0.000 0.800 323 E CB -0.416 29.351 29.700 0.113 0.000 0.756 323 E HN 0.520 nan 8.360 nan 0.000 0.449 324 A N 0.556 123.410 122.820 0.057 0.000 1.883 324 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 324 A C 2.474 180.073 177.584 0.025 0.000 1.186 324 A CA 1.556 53.614 52.037 0.035 0.000 0.624 324 A CB -0.904 18.122 19.000 0.043 0.000 0.822 324 A HN 0.147 nan 8.150 nan 0.000 0.444 325 V N 0.290 120.221 119.914 0.028 0.000 2.332 325 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 325 V C 2.812 178.917 176.094 0.018 0.000 1.055 325 V CA 2.452 64.764 62.300 0.021 0.000 1.038 325 V CB -0.864 30.972 31.823 0.022 0.000 0.651 325 V HN 0.602 nan 8.190 nan 0.000 0.450 326 S N -0.169 115.544 115.700 0.021 0.000 2.355 326 S HA -0.130 4.340 4.470 -0.000 0.000 0.222 326 S C 1.941 176.548 174.600 0.011 0.000 1.031 326 S CA 1.424 59.634 58.200 0.017 0.000 0.993 326 S CB -0.396 62.815 63.200 0.020 0.000 0.859 326 S HN 0.456 nan 8.310 nan 0.000 0.453 327 I N 1.826 122.400 120.570 0.008 0.000 2.286 327 I HA -0.091 4.079 4.170 -0.000 0.000 0.248 327 I C 2.134 178.252 176.117 0.002 0.000 1.115 327 I CA 1.141 62.442 61.300 0.001 0.000 1.392 327 I CB -0.599 37.397 38.000 -0.008 0.000 1.065 327 I HN 0.199 nan 8.210 nan 0.000 0.418 328 M N 0.812 120.415 119.600 0.005 0.000 2.117 328 M HA -0.091 4.388 4.480 -0.000 0.000 0.262 328 M C 2.159 178.463 176.300 0.007 0.000 1.065 328 M CA 2.243 57.546 55.300 0.005 0.000 1.114 328 M CB -0.850 31.754 32.600 0.007 0.000 1.361 328 M HN 0.271 nan 8.290 nan 0.000 0.408 329 A N -1.117 121.709 122.820 0.009 0.000 1.969 329 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 329 A C 2.254 179.844 177.584 0.010 0.000 1.169 329 A CA 2.099 54.143 52.037 0.011 0.000 0.635 329 A CB -1.506 17.502 19.000 0.013 0.000 0.810 329 A HN 0.691 nan 8.150 nan 0.000 0.445 330 T N -1.689 112.870 114.554 0.008 0.000 2.857 330 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 330 T C 1.831 176.535 174.700 0.005 0.000 1.048 330 T CA 1.274 63.378 62.100 0.007 0.000 1.139 330 T CB -0.560 68.311 68.868 0.004 0.000 0.874 330 T HN 0.332 nan 8.240 nan 0.000 0.455 331 I N 0.994 121.566 120.570 0.003 0.000 2.208 331 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 331 I C 2.931 179.051 176.117 0.006 0.000 1.097 331 I CA 1.086 62.387 61.300 0.002 0.000 1.363 331 I CB -0.616 37.383 38.000 -0.001 0.000 1.051 331 I HN 0.397 nan 8.210 nan 0.000 0.413 332 C N 0.240 119.545 119.300 0.009 0.000 2.442 332 C HA -0.156 4.303 4.460 -0.000 0.000 0.279 332 C C 2.872 177.873 174.990 0.018 0.000 1.237 332 C CA 0.773 59.800 59.018 0.015 0.000 1.722 332 C CB -0.921 26.829 27.740 0.016 0.000 2.056 332 C HN 0.512 nan 8.230 nan 0.000 0.469 333 E N 1.257 121.467 120.200 0.017 0.000 2.058 333 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 333 E C 2.272 178.882 176.600 0.017 0.000 0.997 333 E CA 1.507 57.918 56.400 0.019 0.000 0.801 333 E CB -0.417 29.293 29.700 0.017 0.000 0.746 333 E HN 0.457 nan 8.360 nan 0.000 0.450 334 R N 0.082 120.589 120.500 0.012 0.000 2.127 334 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 334 R C 2.223 178.528 176.300 0.009 0.000 1.134 334 R CA 2.208 58.314 56.100 0.009 0.000 0.975 334 R CB -0.805 29.498 30.300 0.004 0.000 0.865 334 R HN 0.155 nan 8.270 nan 0.000 0.447 335 T N 0.542 115.102 114.554 0.010 0.000 2.852 335 T HA -0.020 4.330 4.350 -0.000 0.000 0.256 335 T C 1.052 175.763 174.700 0.019 0.000 1.038 335 T CA 1.127 63.233 62.100 0.010 0.000 1.141 335 T CB -0.319 68.554 68.868 0.008 0.000 0.869 335 T HN 0.231 nan 8.240 nan 0.000 0.439 336 D N 1.756 122.175 120.400 0.032 0.000 2.149 336 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 336 D C 2.201 178.526 176.300 0.041 0.000 1.001 336 D CA 1.217 55.246 54.000 0.048 0.000 0.849 336 D CB -0.346 40.485 40.800 0.052 0.000 0.939 336 D HN 0.512 nan 8.370 nan 0.000 0.449 337 R N 0.901 121.419 120.500 0.030 0.000 2.316 337 R HA -0.028 4.312 4.340 -0.000 0.000 0.202 337 R C 1.536 177.847 176.300 0.019 0.000 1.029 337 R CA 0.857 56.973 56.100 0.026 0.000 1.018 337 R CB -0.084 30.229 30.300 0.021 0.000 0.888 337 R HN 0.270 nan 8.270 nan 0.000 0.471 338 V N -2.951 116.971 119.914 0.013 0.000 3.578 338 V HA 0.362 4.482 4.120 -0.000 0.000 0.290 338 V C 0.687 176.780 176.094 -0.002 0.000 1.376 338 V CA -0.412 61.891 62.300 0.005 0.000 1.083 338 V CB -0.219 31.603 31.823 -0.002 0.000 0.911 338 V HN 0.111 nan 8.190 nan 0.000 0.433 339 M N 2.048 121.650 119.600 0.005 0.000 2.291 339 M HA 0.430 4.910 4.480 -0.000 0.000 0.324 339 M C -0.026 176.272 176.300 -0.003 0.000 1.148 339 M CA -0.000 55.290 55.300 -0.017 0.000 1.104 339 M CB 0.808 33.401 32.600 -0.010 0.000 1.483 339 M HN 0.285 nan 8.290 nan 0.000 0.467 340 N N -0.062 118.617 118.700 -0.035 0.000 2.518 340 N HA 0.414 5.153 4.740 -0.000 0.000 0.284 340 N C -0.659 174.866 175.510 0.025 0.000 1.230 340 N CA -0.456 52.590 53.050 -0.005 0.000 0.941 340 N CB 1.216 39.690 38.487 -0.022 0.000 1.219 340 N HN 0.689 nan 8.380 nan 0.000 0.560 341 S N -0.352 115.390 115.700 0.070 0.000 2.634 341 S HA 0.453 4.923 4.470 -0.000 0.000 0.261 341 S C 0.068 174.729 174.600 0.101 0.000 1.271 341 S CA -0.405 57.877 58.200 0.136 0.000 0.985 341 S CB 0.951 64.234 63.200 0.137 0.000 0.968 341 S HN 0.530 nan 8.310 nan 0.000 0.568 342 R N 0.347 120.958 120.500 0.186 0.000 2.818 342 R HA 0.415 4.755 4.340 -0.000 0.000 0.258 342 R C -0.211 176.246 176.300 0.261 0.000 1.797 342 R CA 0.024 56.222 56.100 0.165 0.000 1.532 342 R CB 0.098 30.499 30.300 0.168 0.000 1.413 342 R HN 0.680 nan 8.270 nan 0.000 0.622 343 L N 0.247 121.572 121.223 0.171 0.000 2.362 343 L HA 0.280 4.620 4.340 -0.000 0.000 0.204 343 L C 1.657 178.587 176.870 0.101 0.000 1.060 343 L CA 0.647 55.568 54.840 0.136 0.000 0.827 343 L CB -0.191 41.892 42.059 0.040 0.000 1.027 343 L HN 0.543 nan 8.230 nan 0.000 0.474 352 L N 0.980 122.217 121.223 0.023 0.000 2.292 352 L HA 0.994 5.334 4.340 -0.000 0.000 0.284 352 L C 0.767 177.654 176.870 0.027 0.000 1.065 352 L CA -0.215 54.642 54.840 0.028 0.000 0.806 352 L CB -0.094 41.980 42.059 0.026 0.000 1.175 352 L HN 1.845 nan 8.230 nan 0.000 0.431 353 R N 2.229 122.750 120.500 0.034 0.000 2.674 353 R HA 0.792 5.132 4.340 -0.000 0.000 0.266 353 R C 0.917 177.237 176.300 0.033 0.000 1.016 353 R CA 0.166 56.286 56.100 0.032 0.000 1.062 353 R CB 0.210 30.532 30.300 0.037 0.000 1.142 353 R HN 0.833 nan 8.270 nan 0.000 0.517 354 I N 0.341 120.928 120.570 0.028 0.000 2.060 354 I HA -0.253 3.917 4.170 -0.000 0.000 0.233 354 I C 2.452 178.591 176.117 0.036 0.000 1.054 354 I CA 2.206 63.522 61.300 0.028 0.000 1.318 354 I CB -0.441 37.573 38.000 0.023 0.000 1.054 354 I HN 0.779 nan 8.210 nan 0.000 0.395 355 T N 0.258 114.836 114.554 0.040 0.000 2.755 355 T HA -0.290 4.059 4.350 -0.000 0.000 0.266 355 T C 1.815 176.564 174.700 0.082 0.000 1.041 355 T CA 1.833 63.966 62.100 0.054 0.000 1.147 355 T CB -0.328 68.570 68.868 0.050 0.000 0.847 355 T HN 0.365 nan 8.240 nan 0.000 0.478 356 E N 0.496 120.749 120.200 0.088 0.000 2.051 356 E HA -0.011 4.338 4.350 -0.000 0.000 0.189 356 E C 2.539 179.177 176.600 0.063 0.000 0.979 356 E CA 1.073 57.555 56.400 0.136 0.000 0.803 356 E CB -0.247 29.528 29.700 0.125 0.000 0.761 356 E HN 0.481 nan 8.360 nan 0.000 0.451 357 A N 0.896 123.733 122.820 0.028 0.000 1.858 357 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 357 A C 2.573 180.140 177.584 -0.030 0.000 1.190 357 A CA 1.770 53.800 52.037 -0.011 0.000 0.617 357 A CB -0.920 18.082 19.000 0.002 0.000 0.827 357 A HN 0.177 nan 8.150 nan 0.000 0.443 358 V N -0.755 119.161 119.914 0.002 0.000 2.255 358 V HA -0.348 3.772 4.120 -0.000 0.000 0.247 358 V C 2.641 178.732 176.094 -0.006 0.000 1.051 358 V CA 2.262 64.567 62.300 0.009 0.000 1.018 358 V CB -1.056 30.788 31.823 0.034 0.000 0.641 358 V HN 0.714 nan 8.190 nan 0.000 0.445 359 C N -0.918 118.391 119.300 0.015 0.000 2.464 359 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 359 C C 2.833 177.745 174.990 -0.130 0.000 1.375 359 C CA 0.507 59.550 59.018 0.041 0.000 1.761 359 C CB -1.120 26.729 27.740 0.180 0.000 1.944 359 C HN 0.495 nan 8.230 nan 0.000 0.509 360 R N 1.168 121.438 120.500 -0.383 0.000 2.073 360 R HA -0.068 4.271 4.340 -0.000 0.000 0.229 360 R C 2.326 178.424 176.300 -0.338 0.000 1.120 360 R CA 1.721 57.356 56.100 -0.775 0.000 0.967 360 R CB -0.684 29.152 30.300 -0.773 0.000 0.862 360 R HN 0.553 nan 8.270 nan 0.000 0.436 361 G N 0.146 108.836 108.800 -0.183 0.000 2.442 361 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 361 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 361 G C 1.500 176.360 174.900 -0.067 0.000 1.141 361 G CA 0.846 45.887 45.100 -0.099 0.000 0.763 361 G HN 0.469 nan 8.290 nan 0.000 0.554 362 A N 0.051 122.842 122.820 -0.048 0.000 1.902 362 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 362 A C 2.599 180.183 177.584 -0.000 0.000 1.181 362 A CA 1.867 53.903 52.037 -0.002 0.000 0.623 362 A CB -0.554 18.466 19.000 0.034 0.000 0.818 362 A HN 0.261 nan 8.150 nan 0.000 0.443 363 V N 0.022 119.927 119.914 -0.015 0.000 2.379 363 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 363 V C 2.524 178.617 176.094 -0.001 0.000 1.044 363 V CA 1.988 64.299 62.300 0.017 0.000 1.036 363 V CB -0.662 31.200 31.823 0.066 0.000 0.664 363 V HN 0.728 nan 8.190 nan 0.000 0.453 364 E N 0.270 120.444 120.200 -0.043 0.000 2.085 364 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 364 E C 2.196 178.786 176.600 -0.016 0.000 0.994 364 E CA 2.113 58.494 56.400 -0.032 0.000 0.801 364 E CB -0.088 29.577 29.700 -0.059 0.000 0.743 364 E HN 0.597 nan 8.360 nan 0.000 0.453 365 T N 0.597 115.140 114.554 -0.018 0.000 2.812 365 T HA -0.036 4.314 4.350 -0.000 0.000 0.264 365 T C 1.844 176.543 174.700 -0.002 0.000 1.042 365 T CA 1.199 63.292 62.100 -0.012 0.000 1.140 365 T CB -0.276 68.584 68.868 -0.014 0.000 0.870 365 T HN 0.343 nan 8.240 nan 0.000 0.445 366 A N 1.995 124.819 122.820 0.007 0.000 1.873 366 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 366 A C 2.196 179.791 177.584 0.018 0.000 1.193 366 A CA 1.917 53.964 52.037 0.016 0.000 0.629 366 A CB -0.638 18.379 19.000 0.029 0.000 0.826 366 A HN 0.595 nan 8.150 nan 0.000 0.447 367 E N -0.409 119.804 120.200 0.021 0.000 2.072 367 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 367 E C 2.042 178.651 176.600 0.015 0.000 0.985 367 E CA 0.932 57.346 56.400 0.023 0.000 0.801 367 E CB -0.173 29.545 29.700 0.030 0.000 0.750 367 E HN 0.437 nan 8.360 nan 0.000 0.452 368 K N 0.729 121.134 120.400 0.008 0.000 2.044 368 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 368 K C 2.008 178.609 176.600 0.002 0.000 1.049 368 K CA 1.066 57.355 56.287 0.003 0.000 0.927 368 K CB -0.234 32.264 32.500 -0.003 0.000 0.713 368 K HN 0.220 nan 8.250 nan 0.000 0.443 369 L N 1.007 122.231 121.223 0.002 0.000 2.611 369 L HA 0.016 4.355 4.340 -0.000 0.000 0.229 369 L C -0.515 176.358 176.870 0.006 0.000 1.137 369 L CA -0.085 54.755 54.840 0.000 0.000 0.901 369 L CB -0.181 41.874 42.059 -0.005 0.000 1.098 369 L HN 0.165 nan 8.230 nan 0.000 0.456 370 D N 0.564 120.971 120.400 0.011 0.000 2.708 370 D HA -0.175 4.465 4.640 -0.000 0.000 0.236 370 D C 0.518 176.830 176.300 0.020 0.000 1.146 370 D CA 0.964 54.974 54.000 0.017 0.000 0.662 370 D CB -0.788 40.021 40.800 0.015 0.000 1.059 370 D HN 0.362 nan 8.370 nan 0.000 0.428 371 A N 0.935 123.767 122.820 0.019 0.000 2.450 371 A HA 0.402 4.722 4.320 -0.000 0.000 0.255 371 A C -0.470 177.130 177.584 0.027 0.000 1.096 371 A CA -0.836 51.214 52.037 0.021 0.000 0.778 371 A CB 0.623 19.634 19.000 0.019 0.000 1.031 371 A HN -0.013 nan 8.150 nan 0.000 0.494 372 P HA 0.044 nan 4.420 nan 0.000 0.226 372 P C -0.081 177.235 177.300 0.026 0.000 1.153 372 P CA 0.972 64.090 63.100 0.030 0.000 0.777 372 P CB 0.232 31.951 31.700 0.032 0.000 0.794 373 L N -0.508 120.728 121.223 0.022 0.000 2.434 373 L HA 0.490 4.830 4.340 -0.000 0.000 0.260 373 L C -0.587 176.302 176.870 0.033 0.000 0.983 373 L CA -0.969 53.885 54.840 0.023 0.000 0.820 373 L CB 2.926 44.990 42.059 0.008 0.000 1.361 373 L HN -0.312 nan 8.230 nan 0.000 0.410 374 I N 3.077 123.674 120.570 0.046 0.000 2.410 374 I HA 0.351 4.521 4.170 -0.000 0.000 0.286 374 I C -0.663 175.502 176.117 0.080 0.000 1.009 374 I CA -0.744 60.593 61.300 0.063 0.000 1.111 374 I CB 1.984 40.027 38.000 0.071 0.000 1.262 374 I HN 0.133 nan 8.210 nan 0.000 0.443 375 V N 7.399 127.372 119.914 0.098 0.000 2.394 375 V HA 0.455 4.575 4.120 -0.000 0.000 0.282 375 V C 0.036 176.314 176.094 0.305 0.000 1.031 375 V CA -0.578 61.810 62.300 0.147 0.000 0.881 375 V CB 1.859 33.729 31.823 0.078 0.000 0.982 375 V HN 0.398 nan 8.190 nan 0.000 0.451 376 V N 3.432 123.506 119.914 0.267 0.000 2.735 376 V HA 0.789 4.908 4.120 -0.000 0.000 0.310 376 V C 0.174 176.267 176.094 -0.002 0.000 1.061 376 V CA -0.677 61.732 62.300 0.182 0.000 0.913 376 V CB 2.153 34.025 31.823 0.081 0.000 1.005 376 V HN 0.976 nan 8.190 nan 0.000 0.428 377 A N 3.053 125.643 122.820 -0.383 0.000 2.260 377 A HA 0.824 5.144 4.320 -0.000 0.000 0.314 377 A C 0.137 177.554 177.584 -0.279 0.000 1.257 377 A CA -0.323 51.389 52.037 -0.542 0.000 0.871 377 A CB 0.456 18.748 19.000 -1.180 0.000 1.166 377 A HN 0.929 nan 8.150 nan 0.000 0.522 378 T N 0.214 114.667 114.554 -0.168 0.000 2.907 378 T HA 0.519 4.868 4.350 -0.000 0.000 0.292 378 T C 0.292 174.934 174.700 -0.097 0.000 1.043 378 T CA -0.664 61.370 62.100 -0.109 0.000 1.003 378 T CB 1.994 70.825 68.868 -0.061 0.000 1.084 378 T HN 0.443 nan 8.240 nan 0.000 0.483 379 Q N 1.118 120.871 119.800 -0.077 0.000 2.389 379 Q HA 0.294 4.634 4.340 -0.000 0.000 0.201 379 Q C 1.929 177.897 176.000 -0.053 0.000 0.956 379 Q CA 1.356 57.118 55.803 -0.067 0.000 0.871 379 Q CB -0.180 28.521 28.738 -0.061 0.000 0.990 379 Q HN 0.957 nan 8.270 nan 0.000 0.554 380 G N -1.399 107.382 108.800 -0.031 0.000 3.192 380 G HA2 0.375 4.335 3.960 -0.000 0.000 0.239 380 G HA3 0.375 4.335 3.960 -0.000 0.000 0.239 380 G C 0.772 175.685 174.900 0.022 0.000 1.084 380 G CA 0.482 45.579 45.100 -0.005 0.000 0.784 380 G HN 0.514 nan 8.290 nan 0.000 0.540 381 G N 0.743 109.545 108.800 0.003 0.000 2.213 381 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.236 381 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.236 381 G C 1.263 176.181 174.900 0.030 0.000 0.991 381 G CA 0.664 45.776 45.100 0.019 0.000 0.629 381 G HN 0.483 nan 8.290 nan 0.000 0.517 382 K N 0.917 121.335 120.400 0.029 0.000 2.173 382 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 382 K C 2.807 179.418 176.600 0.018 0.000 1.046 382 K CA 2.066 58.367 56.287 0.024 0.000 0.929 382 K CB -0.208 32.301 32.500 0.015 0.000 0.720 382 K HN 0.683 nan 8.250 nan 0.000 0.453 383 S N 0.035 115.742 115.700 0.011 0.000 2.458 383 S HA 0.098 4.568 4.470 -0.000 0.000 0.223 383 S C 2.168 176.784 174.600 0.028 0.000 1.019 383 S CA 0.413 58.624 58.200 0.019 0.000 0.937 383 S CB 0.203 63.406 63.200 0.004 0.000 0.788 383 S HN 0.256 nan 8.310 nan 0.000 0.511 384 A N 2.625 125.455 122.820 0.018 0.000 1.930 384 A HA 0.055 4.374 4.320 -0.000 0.000 0.217 384 A C 2.379 179.970 177.584 0.013 0.000 1.175 384 A CA 0.995 53.045 52.037 0.022 0.000 0.627 384 A CB -0.569 18.442 19.000 0.018 0.000 0.815 384 A HN 0.556 nan 8.150 nan 0.000 0.443 385 R N -0.457 120.049 120.500 0.010 0.000 2.120 385 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 385 R C 2.377 178.658 176.300 -0.032 0.000 1.123 385 R CA 1.145 57.238 56.100 -0.013 0.000 0.975 385 R CB -0.422 29.882 30.300 0.006 0.000 0.866 385 R HN 0.523 nan 8.270 nan 0.000 0.446 386 A N 0.670 123.494 122.820 0.007 0.000 1.897 386 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 386 A C 2.345 179.989 177.584 0.101 0.000 1.181 386 A CA 0.981 53.041 52.037 0.038 0.000 0.620 386 A CB -0.336 18.709 19.000 0.075 0.000 0.821 386 A HN 0.088 nan 8.150 nan 0.000 0.443 387 V N 0.728 120.708 119.914 0.111 0.000 2.358 387 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 387 V C 2.739 178.899 176.094 0.109 0.000 1.047 387 V CA 2.020 64.424 62.300 0.174 0.000 1.035 387 V CB -0.777 31.115 31.823 0.115 0.000 0.658 387 V HN 0.660 nan 8.190 nan 0.000 0.452 388 R N 1.372 121.859 120.500 -0.021 0.000 2.189 388 R HA -0.154 4.186 4.340 -0.000 0.000 0.223 388 R C 2.151 178.280 176.300 -0.286 0.000 1.092 388 R CA 1.719 57.746 56.100 -0.121 0.000 0.989 388 R CB -0.518 29.702 30.300 -0.133 0.000 0.876 388 R HN 0.561 nan 8.270 nan 0.000 0.457 389 K N 0.025 120.222 120.400 -0.339 0.000 2.211 389 K HA -0.174 4.146 4.320 -0.000 0.000 0.204 389 K C 0.469 176.727 176.600 -0.569 0.000 1.047 389 K CA 1.318 57.284 56.287 -0.535 0.000 0.935 389 K CB -0.112 32.006 32.500 -0.637 0.000 0.728 389 K HN 0.243 nan 8.250 nan 0.000 0.452 390 Y N -0.392 119.930 120.300 0.038 0.000 2.470 390 Y HA 0.201 4.751 4.550 -0.000 0.000 0.284 390 Y C -0.552 175.503 175.900 0.257 0.000 1.188 390 Y CA -0.533 57.660 58.100 0.156 0.000 1.269 390 Y CB -0.380 38.138 38.460 0.096 0.000 1.094 390 Y HN -0.068 nan 8.280 nan 0.000 0.518 391 F N 0.080 120.064 119.950 0.057 0.000 2.891 391 F HA -0.212 4.315 4.527 -0.000 0.000 0.272 391 F C -2.106 173.739 175.800 0.075 0.000 1.004 391 F CA -1.042 56.988 58.000 0.050 0.000 0.938 391 F CB -1.438 37.583 39.000 0.035 0.000 0.939 391 F HN 0.045 nan 8.300 nan 0.000 0.833 392 P HA -0.011 nan 4.420 nan 0.000 0.268 392 P C 0.703 178.076 177.300 0.121 0.000 1.205 392 P CA 0.110 63.296 63.100 0.143 0.000 0.771 392 P CB 0.923 32.688 31.700 0.108 0.000 0.858 393 D N 1.499 121.960 120.400 0.102 0.000 2.104 393 D HA -0.112 4.527 4.640 -0.000 0.000 0.194 393 D C 1.113 177.452 176.300 0.065 0.000 0.994 393 D CA 1.294 55.341 54.000 0.078 0.000 0.830 393 D CB -0.465 40.372 40.800 0.062 0.000 0.959 393 D HN 0.489 nan 8.370 nan 0.000 0.452 394 A N 0.643 123.499 122.820 0.060 0.000 2.448 394 A HA 0.221 4.541 4.320 -0.000 0.000 0.239 394 A C 0.439 178.052 177.584 0.049 0.000 1.080 394 A CA 0.091 52.158 52.037 0.050 0.000 0.779 394 A CB 0.200 19.229 19.000 0.048 0.000 1.026 394 A HN 0.055 nan 8.150 nan 0.000 0.499 395 T N 1.776 116.354 114.554 0.041 0.000 2.851 395 T HA 0.381 4.731 4.350 -0.000 0.000 0.298 395 T C 0.155 174.878 174.700 0.039 0.000 0.977 395 T CA 0.317 62.439 62.100 0.036 0.000 1.126 395 T CB 0.050 68.936 68.868 0.030 0.000 0.916 395 T HN 0.361 nan 8.240 nan 0.000 0.529 396 I N 3.785 124.378 120.570 0.038 0.000 2.379 396 I HA 0.223 4.392 4.170 -0.000 0.000 0.290 396 I C -0.032 176.109 176.117 0.041 0.000 1.063 396 I CA -0.360 60.966 61.300 0.044 0.000 1.351 396 I CB 0.576 38.600 38.000 0.040 0.000 1.410 396 I HN 0.388 nan 8.210 nan 0.000 0.505 397 L N 7.991 129.243 121.223 0.048 0.000 2.262 397 L HA 0.718 5.058 4.340 -0.000 0.000 0.288 397 L C 0.000 176.908 176.870 0.064 0.000 1.035 397 L CA -0.030 54.838 54.840 0.046 0.000 0.820 397 L CB 0.803 42.885 42.059 0.039 0.000 1.204 397 L HN 0.659 nan 8.230 nan 0.000 0.424 398 A N 6.942 129.790 122.820 0.047 0.000 2.256 398 A HA 0.616 4.936 4.320 -0.000 0.000 0.317 398 A C -0.690 176.911 177.584 0.029 0.000 1.318 398 A CA -0.595 51.466 52.037 0.040 0.000 0.894 398 A CB 0.176 19.188 19.000 0.020 0.000 1.165 398 A HN 0.737 nan 8.150 nan 0.000 0.525 399 L N 3.423 124.673 121.223 0.044 0.000 2.265 399 L HA 0.484 4.823 4.340 -0.000 0.000 0.288 399 L C 0.132 176.983 176.870 -0.033 0.000 1.058 399 L CA -0.246 54.612 54.840 0.030 0.000 0.809 399 L CB 0.755 42.880 42.059 0.109 0.000 1.179 399 L HN 0.780 nan 8.230 nan 0.000 0.429 400 T N -2.281 112.248 114.554 -0.041 0.000 2.906 400 T HA 0.391 4.741 4.350 -0.000 0.000 0.295 400 T C 0.739 175.403 174.700 -0.061 0.000 1.075 400 T CA -0.389 61.672 62.100 -0.066 0.000 1.005 400 T CB 1.986 70.805 68.868 -0.081 0.000 1.136 400 T HN 0.628 nan 8.240 nan 0.000 0.498 401 T N -2.504 112.010 114.554 -0.067 0.000 3.001 401 T HA 0.179 4.529 4.350 -0.000 0.000 0.251 401 T C 0.604 175.257 174.700 -0.078 0.000 1.040 401 T CA -0.274 61.788 62.100 -0.062 0.000 0.985 401 T CB -0.147 68.690 68.868 -0.052 0.000 1.011 401 T HN 0.514 nan 8.240 nan 0.000 0.509 402 N N 2.294 120.939 118.700 -0.091 0.000 2.420 402 N HA 0.058 4.798 4.740 -0.000 0.000 0.262 402 N C 0.893 176.303 175.510 -0.165 0.000 1.144 402 N CA 0.081 53.064 53.050 -0.112 0.000 0.952 402 N CB 1.032 39.457 38.487 -0.103 0.000 1.081 402 N HN 0.368 nan 8.380 nan 0.000 0.480 403 E N 3.055 123.143 120.200 -0.186 0.000 2.047 403 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 403 E C 1.178 177.508 176.600 -0.450 0.000 0.987 403 E CA 1.150 57.362 56.400 -0.313 0.000 0.799 403 E CB 0.080 29.649 29.700 -0.217 0.000 0.752 403 E HN 0.486 nan 8.360 nan 0.000 0.449 404 K N 0.960 121.203 120.400 -0.262 0.000 2.063 404 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 404 K C 2.194 178.637 176.600 -0.262 0.000 1.048 404 K CA 2.038 58.193 56.287 -0.221 0.000 0.928 404 K CB -0.638 31.756 32.500 -0.177 0.000 0.713 404 K HN 0.204 nan 8.250 nan 0.000 0.442 405 T N -2.196 112.221 114.554 -0.228 0.000 3.055 405 T HA 0.134 4.484 4.350 -0.000 0.000 0.265 405 T C 1.768 176.377 174.700 -0.151 0.000 1.111 405 T CA 0.822 62.809 62.100 -0.188 0.000 1.118 405 T CB -0.173 68.620 68.868 -0.126 0.000 0.909 405 T HN 0.186 nan 8.240 nan 0.000 0.501 406 A N 1.068 123.762 122.820 -0.210 0.000 1.898 406 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 406 A C 2.024 179.559 177.584 -0.082 0.000 1.181 406 A CA 1.559 53.496 52.037 -0.166 0.000 0.620 406 A CB -1.009 17.853 19.000 -0.229 0.000 0.819 406 A HN 0.803 nan 8.150 nan 0.000 0.442 407 H N -0.715 118.311 119.070 -0.072 0.000 2.299 407 H HA -0.114 4.442 4.556 -0.000 0.000 0.302 407 H C 2.389 177.689 175.328 -0.048 0.000 1.078 407 H CA 1.366 57.376 56.048 -0.064 0.000 1.323 407 H CB -0.092 29.607 29.762 -0.106 0.000 1.381 407 H HN 0.551 nan 8.280 nan 0.000 0.498 408 Q N 0.625 120.400 119.800 -0.043 0.000 2.112 408 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 408 Q C 2.272 178.400 176.000 0.213 0.000 0.987 408 Q CA 1.117 56.862 55.803 -0.096 0.000 0.858 408 Q CB -0.089 28.349 28.738 -0.500 0.000 0.905 408 Q HN 0.511 nan 8.270 nan 0.000 0.420 409 L N 0.214 121.490 121.223 0.089 0.000 2.456 409 L HA -0.123 4.217 4.340 -0.000 0.000 0.224 409 L C 2.068 178.997 176.870 0.097 0.000 1.148 409 L CA 0.247 55.140 54.840 0.089 0.000 0.825 409 L CB -0.185 41.895 42.059 0.035 0.000 0.937 409 L HN 0.113 nan 8.230 nan 0.000 0.450 410 V N -0.040 119.949 119.914 0.125 0.000 2.759 410 V HA -0.228 3.892 4.120 -0.000 0.000 0.256 410 V C 2.053 178.201 176.094 0.090 0.000 1.080 410 V CA 1.163 63.526 62.300 0.104 0.000 1.101 410 V CB -0.029 31.865 31.823 0.118 0.000 0.698 410 V HN 0.356 nan 8.190 nan 0.000 0.477 411 L N -0.689 120.608 121.223 0.124 0.000 2.558 411 L HA 0.261 4.601 4.340 -0.000 0.000 0.225 411 L C 1.205 178.068 176.870 -0.011 0.000 1.128 411 L CA 0.734 55.589 54.840 0.023 0.000 0.868 411 L CB -0.010 41.986 42.059 -0.105 0.000 1.006 411 L HN 0.144 nan 8.230 nan 0.000 0.454 412 S N 0.717 116.431 115.700 0.024 0.000 2.523 412 S HA 0.168 4.638 4.470 -0.000 0.000 0.275 412 S C -0.059 174.526 174.600 -0.024 0.000 1.281 412 S CA -0.432 57.764 58.200 -0.007 0.000 1.050 412 S CB 0.798 64.005 63.200 0.012 0.000 0.937 412 S HN 0.225 nan 8.310 nan 0.000 0.492 413 K N 2.073 122.438 120.400 -0.059 0.000 2.491 413 K HA 0.199 4.519 4.320 -0.000 0.000 0.279 413 K C 1.207 177.781 176.600 -0.043 0.000 1.026 413 K CA 1.047 57.299 56.287 -0.059 0.000 1.070 413 K CB -0.405 32.030 32.500 -0.109 0.000 0.887 413 K HN 0.856 nan 8.250 nan 0.000 0.481 414 G N 2.172 110.966 108.800 -0.010 0.000 2.166 414 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.260 414 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.260 414 G C -0.179 174.727 174.900 0.010 0.000 0.986 414 G CA 0.243 45.346 45.100 0.006 0.000 0.683 414 G HN 0.502 nan 8.290 nan 0.000 0.527 415 V N 0.580 120.500 119.914 0.009 0.000 2.427 415 V HA 0.562 4.682 4.120 -0.000 0.000 0.286 415 V C 0.445 176.554 176.094 0.025 0.000 1.034 415 V CA -0.699 61.611 62.300 0.018 0.000 0.893 415 V CB 1.972 33.805 31.823 0.016 0.000 0.982 415 V HN 0.238 nan 8.190 nan 0.000 0.452 416 V N 7.882 127.812 119.914 0.027 0.000 2.293 416 V HA 0.345 4.465 4.120 -0.000 0.000 0.275 416 V C -2.191 173.919 176.094 0.028 0.000 1.021 416 V CA -1.720 60.597 62.300 0.028 0.000 0.815 416 V CB 1.265 33.103 31.823 0.026 0.000 1.025 416 V HN 0.741 nan 8.190 nan 0.000 0.448 417 P HA 0.414 nan 4.420 nan 0.000 0.276 417 P C -0.957 176.350 177.300 0.013 0.000 1.244 417 P CA -0.595 62.516 63.100 0.017 0.000 0.801 417 P CB 0.912 32.619 31.700 0.013 0.000 1.006 418 Q N 1.058 120.860 119.800 0.003 0.000 2.334 418 Q HA 0.450 4.790 4.340 -0.000 0.000 0.249 418 Q C -1.900 174.092 176.000 -0.013 0.000 0.909 418 Q CA -0.552 55.253 55.803 0.003 0.000 0.823 418 Q CB 0.792 29.541 28.738 0.018 0.000 1.353 418 Q HN 0.222 nan 8.270 nan 0.000 0.433 419 L N 5.125 126.332 121.223 -0.027 0.000 2.361 419 L HA 0.551 4.891 4.340 -0.000 0.000 0.278 419 L C -0.672 176.185 176.870 -0.022 0.000 1.113 419 L CA -0.027 54.788 54.840 -0.042 0.000 0.849 419 L CB 0.989 43.011 42.059 -0.061 0.000 1.155 419 L HN 0.588 nan 8.230 nan 0.000 0.452 420 V N 2.179 122.081 119.914 -0.019 0.000 2.919 420 V HA 0.595 4.715 4.120 -0.000 0.000 0.316 420 V C 0.899 176.984 176.094 -0.015 0.000 1.077 420 V CA -0.797 61.499 62.300 -0.006 0.000 0.977 420 V CB 1.795 33.626 31.823 0.013 0.000 1.039 420 V HN 0.677 nan 8.190 nan 0.000 0.441 421 K N 0.907 121.301 120.400 -0.009 0.000 2.062 421 K HA 0.105 4.425 4.320 -0.000 0.000 0.205 421 K C 0.572 177.162 176.600 -0.016 0.000 1.051 421 K CA 1.869 58.148 56.287 -0.013 0.000 0.941 421 K CB 0.015 32.510 32.500 -0.009 0.000 0.719 421 K HN 1.015 nan 8.250 nan 0.000 0.440 422 E N -1.024 119.170 120.200 -0.010 0.000 2.400 422 E HA 0.228 4.578 4.350 -0.000 0.000 0.285 422 E C -1.308 175.290 176.600 -0.002 0.000 1.005 422 E CA -0.532 55.860 56.400 -0.013 0.000 0.816 422 E CB 0.772 30.464 29.700 -0.014 0.000 1.220 422 E HN -0.082 nan 8.360 nan 0.000 0.426 423 I N 2.439 123.003 120.570 -0.010 0.000 2.418 423 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 423 I C 0.950 177.058 176.117 -0.015 0.000 1.008 423 I CA -0.455 60.850 61.300 0.007 0.000 1.104 423 I CB 2.081 40.085 38.000 0.007 0.000 1.264 423 I HN 0.846 nan 8.210 nan 0.000 0.438 424 T N -0.040 114.509 114.554 -0.008 0.000 3.015 424 T HA 0.228 4.578 4.350 -0.000 0.000 0.250 424 T C 0.589 175.274 174.700 -0.026 0.000 1.057 424 T CA 0.342 62.431 62.100 -0.018 0.000 1.066 424 T CB 0.162 69.023 68.868 -0.012 0.000 0.959 424 T HN 0.599 nan 8.240 nan 0.000 0.488 425 S N -0.679 115.004 115.700 -0.027 0.000 2.615 425 S HA 0.419 4.889 4.470 -0.000 0.000 0.269 425 S C 0.603 175.154 174.600 -0.082 0.000 1.161 425 S CA -0.230 57.941 58.200 -0.049 0.000 0.817 425 S CB 1.114 64.289 63.200 -0.042 0.000 1.131 425 S HN -0.039 nan 8.310 nan 0.000 0.467 426 T N 1.440 115.908 114.554 -0.144 0.000 2.746 426 T HA -0.077 4.272 4.350 -0.000 0.000 0.267 426 T C 0.957 175.272 174.700 -0.641 0.000 1.039 426 T CA 1.884 63.778 62.100 -0.344 0.000 1.142 426 T CB -0.652 68.048 68.868 -0.281 0.000 0.866 426 T HN 0.670 nan 8.240 nan 0.000 0.444 427 D N 1.002 121.231 120.400 -0.286 0.000 2.117 427 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 427 D C 1.965 178.220 176.300 -0.076 0.000 0.982 427 D CA 1.039 54.971 54.000 -0.114 0.000 0.828 427 D CB -0.427 40.384 40.800 0.018 0.000 0.967 427 D HN 0.343 nan 8.370 nan 0.000 0.464 428 D N 0.193 120.556 120.400 -0.062 0.000 2.104 428 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 428 D C 1.884 178.172 176.300 -0.019 0.000 0.994 428 D CA 0.652 54.637 54.000 -0.025 0.000 0.830 428 D CB -0.262 40.535 40.800 -0.006 0.000 0.959 428 D HN 0.040 nan 8.370 nan 0.000 0.452 429 F N 0.380 120.225 119.950 -0.175 0.000 2.095 429 F HA -0.240 4.286 4.527 -0.000 0.000 0.298 429 F C 1.761 177.536 175.800 -0.042 0.000 1.104 429 F CA 1.383 59.297 58.000 -0.144 0.000 1.232 429 F CB -1.051 37.813 39.000 -0.226 0.000 0.987 429 F HN 0.024 nan 8.300 nan 0.000 0.475 430 Y N 0.928 120.891 120.300 -0.560 0.000 2.128 430 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 430 Y C 2.887 178.491 175.900 -0.493 0.000 1.154 430 Y CA 1.641 59.318 58.100 -0.706 0.000 1.149 430 Y CB -1.437 36.747 38.460 -0.461 0.000 0.976 430 Y HN 0.140 nan 8.280 nan 0.000 0.505 431 R N 0.607 121.051 120.500 -0.093 0.000 2.075 431 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 431 R C 2.181 178.431 176.300 -0.084 0.000 1.126 431 R CA 1.452 57.511 56.100 -0.067 0.000 0.963 431 R CB -0.728 29.562 30.300 -0.017 0.000 0.858 431 R HN 0.407 nan 8.270 nan 0.000 0.435 432 L N 0.651 121.823 121.223 -0.084 0.000 2.056 432 L HA 0.085 4.425 4.340 -0.000 0.000 0.207 432 L C 2.192 179.018 176.870 -0.074 0.000 1.078 432 L CA 2.340 57.152 54.840 -0.046 0.000 0.749 432 L CB -0.962 41.107 42.059 0.016 0.000 0.901 432 L HN 0.256 nan 8.230 nan 0.000 0.433 433 G N -1.185 107.513 108.800 -0.169 0.000 2.484 433 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 433 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 433 G C 1.678 176.485 174.900 -0.155 0.000 1.130 433 G CA 0.543 45.544 45.100 -0.164 0.000 0.784 433 G HN 0.361 nan 8.290 nan 0.000 0.543 434 K N 0.068 120.360 120.400 -0.180 0.000 2.103 434 K HA 0.032 4.352 4.320 -0.000 0.000 0.204 434 K C 2.362 178.916 176.600 -0.077 0.000 1.052 434 K CA 1.003 57.212 56.287 -0.129 0.000 0.945 434 K CB -0.004 32.421 32.500 -0.125 0.000 0.722 434 K HN 0.320 nan 8.250 nan 0.000 0.443 435 E N 0.354 120.516 120.200 -0.064 0.000 2.028 435 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 435 E C 1.817 178.396 176.600 -0.036 0.000 0.988 435 E CA 1.006 57.382 56.400 -0.040 0.000 0.799 435 E CB 0.065 29.748 29.700 -0.028 0.000 0.755 435 E HN 0.180 nan 8.360 nan 0.000 0.447 436 L N 0.295 121.498 121.223 -0.033 0.000 2.141 436 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 436 L C 2.497 179.348 176.870 -0.032 0.000 1.094 436 L CA 0.741 55.568 54.840 -0.022 0.000 0.763 436 L CB -0.505 41.552 42.059 -0.003 0.000 0.908 436 L HN 0.174 nan 8.230 nan 0.000 0.437 437 A N 0.518 123.310 122.820 -0.046 0.000 1.858 437 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 437 A C 2.257 179.788 177.584 -0.088 0.000 1.190 437 A CA 1.369 53.371 52.037 -0.059 0.000 0.617 437 A CB -0.695 18.266 19.000 -0.064 0.000 0.827 437 A HN 0.322 nan 8.150 nan 0.000 0.443 438 L N -0.923 120.249 121.223 -0.085 0.000 2.083 438 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 438 L C 2.904 179.721 176.870 -0.090 0.000 1.083 438 L CA 1.753 56.531 54.840 -0.104 0.000 0.752 438 L CB -0.385 41.637 42.059 -0.061 0.000 0.899 438 L HN 0.592 nan 8.230 nan 0.000 0.433 439 Q N -0.288 119.479 119.800 -0.054 0.000 2.224 439 Q HA -0.192 4.148 4.340 -0.000 0.000 0.203 439 Q C 2.251 178.231 176.000 -0.033 0.000 0.970 439 Q CA 1.633 57.416 55.803 -0.033 0.000 0.865 439 Q CB 0.071 28.797 28.738 -0.020 0.000 0.922 439 Q HN 0.566 nan 8.270 nan 0.000 0.445 440 S N -1.507 114.165 115.700 -0.045 0.000 2.474 440 S HA 0.018 4.488 4.470 -0.000 0.000 0.235 440 S C 1.571 176.145 174.600 -0.043 0.000 0.997 440 S CA 0.904 59.083 58.200 -0.035 0.000 0.949 440 S CB -0.175 63.005 63.200 -0.032 0.000 0.766 440 S HN 0.663 nan 8.310 nan 0.000 0.517 441 G N 1.165 109.912 108.800 -0.089 0.000 2.220 441 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.269 441 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.269 441 G C 0.654 175.477 174.900 -0.129 0.000 0.977 441 G CA 0.588 45.630 45.100 -0.097 0.000 0.634 441 G HN 0.556 nan 8.290 nan 0.000 0.539 442 L N -0.025 121.133 121.223 -0.108 0.000 2.395 442 L HA 0.478 4.818 4.340 -0.000 0.000 0.218 442 L C 1.523 178.325 176.870 -0.113 0.000 1.130 442 L CA 1.077 55.877 54.840 -0.065 0.000 0.826 442 L CB -0.303 41.738 42.059 -0.030 0.000 0.941 442 L HN 0.681 nan 8.230 nan 0.000 0.451 443 A N -1.971 120.691 122.820 -0.265 0.000 2.602 443 A HA 0.697 5.017 4.320 -0.000 0.000 0.290 443 A C -1.149 176.030 177.584 -0.675 0.000 1.114 443 A CA -0.650 51.202 52.037 -0.308 0.000 0.683 443 A CB 1.301 20.231 19.000 -0.117 0.000 1.281 443 A HN 0.071 nan 8.150 nan 0.000 0.416 444 H N 0.245 119.318 119.070 0.005 0.000 2.906 444 H HA 0.390 4.945 4.556 -0.000 0.000 0.337 444 H C -0.702 174.628 175.328 0.002 0.000 1.257 444 H CA -0.788 55.262 56.048 0.003 0.000 1.192 444 H CB 0.960 30.724 29.762 0.004 0.000 1.912 444 H HN 0.626 nan 8.280 nan 0.000 0.573 445 K N 0.259 120.730 120.400 0.119 0.000 2.489 445 K HA 0.129 4.448 4.320 -0.000 0.000 0.278 445 K C 0.863 177.498 176.600 0.058 0.000 1.000 445 K CA 1.075 57.399 56.287 0.062 0.000 1.012 445 K CB 0.273 32.803 32.500 0.050 0.000 0.903 445 K HN 0.952 nan 8.250 nan 0.000 0.485 446 G N 2.188 111.008 108.800 0.034 0.000 2.205 446 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.261 446 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.261 446 G C -0.095 174.822 174.900 0.028 0.000 0.980 446 G CA 0.062 45.178 45.100 0.027 0.000 0.632 446 G HN 0.666 nan 8.290 nan 0.000 0.533 447 D N 0.281 120.703 120.400 0.036 0.000 2.414 447 D HA 0.407 5.047 4.640 -0.000 0.000 0.242 447 D C 0.713 177.022 176.300 0.015 0.000 1.129 447 D CA 0.052 54.070 54.000 0.029 0.000 0.885 447 D CB 1.607 42.424 40.800 0.029 0.000 1.198 447 D HN 0.107 nan 8.370 nan 0.000 0.437 448 V N 2.738 122.659 119.914 0.012 0.000 2.546 448 V HA 0.290 4.409 4.120 -0.000 0.000 0.284 448 V C 0.251 176.351 176.094 0.010 0.000 1.050 448 V CA -0.357 61.947 62.300 0.007 0.000 0.981 448 V CB 1.772 33.595 31.823 -0.001 0.000 0.990 448 V HN 0.229 nan 8.190 nan 0.000 0.474 449 V N 5.390 125.312 119.914 0.013 0.000 2.686 449 V HA 0.417 4.537 4.120 -0.000 0.000 0.306 449 V C -0.453 175.653 176.094 0.020 0.000 1.065 449 V CA -0.617 61.688 62.300 0.009 0.000 0.894 449 V CB 2.302 34.117 31.823 -0.013 0.000 1.004 449 V HN 0.570 nan 8.190 nan 0.000 0.424 450 V N 5.977 125.907 119.914 0.025 0.000 2.407 450 V HA 0.492 4.612 4.120 -0.000 0.000 0.278 450 V C 0.098 176.227 176.094 0.059 0.000 1.037 450 V CA -0.312 62.011 62.300 0.038 0.000 0.900 450 V CB 1.480 33.325 31.823 0.037 0.000 0.983 450 V HN 0.770 nan 8.190 nan 0.000 0.459 451 M N 5.251 124.891 119.600 0.067 0.000 2.294 451 M HA 0.612 5.091 4.480 -0.000 0.000 0.335 451 M C -1.105 175.378 176.300 0.304 0.000 1.079 451 M CA -0.620 54.770 55.300 0.151 0.000 0.982 451 M CB 1.981 34.549 32.600 -0.052 0.000 1.651 451 M HN 0.346 nan 8.290 nan 0.000 0.437 452 V N 2.332 122.474 119.914 0.380 0.000 2.656 452 V HA 0.806 4.926 4.120 -0.000 0.000 0.307 452 V C -0.333 175.876 176.094 0.192 0.000 1.051 452 V CA -0.287 62.169 62.300 0.260 0.000 0.893 452 V CB 2.212 34.126 31.823 0.152 0.000 0.999 452 V HN 1.101 nan 8.190 nan 0.000 0.426 453 S N 2.691 118.455 115.700 0.107 0.000 2.656 453 S HA 0.750 5.220 4.470 -0.000 0.000 0.265 453 S C -0.543 174.040 174.600 -0.029 0.000 1.132 453 S CA -0.243 57.917 58.200 -0.067 0.000 0.819 453 S CB 1.405 64.473 63.200 -0.220 0.000 1.119 453 S HN 1.290 nan 8.310 nan 0.000 0.476 454 G N -0.266 108.483 108.800 -0.085 0.000 2.372 454 G HA2 0.773 4.733 3.960 -0.000 0.000 0.323 454 G HA3 0.773 4.733 3.960 -0.000 0.000 0.323 454 G C -0.508 174.363 174.900 -0.049 0.000 1.152 454 G CA -0.427 44.645 45.100 -0.046 0.000 0.906 454 G HN 1.344 nan 8.290 nan 0.000 0.460 455 A N 2.521 125.331 122.820 -0.017 0.000 2.374 455 A HA 0.647 4.966 4.320 -0.000 0.000 0.305 455 A C 0.802 178.380 177.584 -0.009 0.000 1.053 455 A CA -0.682 51.346 52.037 -0.016 0.000 0.726 455 A CB 0.713 19.719 19.000 0.010 0.000 1.229 455 A HN 1.373 nan 8.150 nan 0.000 0.431 456 L N 0.422 121.635 121.223 -0.016 0.000 3.991 456 L HA -0.256 4.084 4.340 -0.000 0.000 0.437 456 L C 0.485 177.349 176.870 -0.010 0.000 1.138 456 L CA 0.855 55.688 54.840 -0.011 0.000 0.964 456 L CB -2.588 39.469 42.059 -0.003 0.000 1.867 456 L HN 0.757 nan 8.230 nan 0.000 1.028 457 V N -3.285 116.621 119.914 -0.014 0.000 3.019 457 V HA 0.888 5.008 4.120 -0.000 0.000 0.317 457 V C -1.735 174.347 176.094 -0.019 0.000 1.094 457 V CA -1.594 60.698 62.300 -0.012 0.000 1.000 457 V CB 1.556 33.374 31.823 -0.008 0.000 1.060 457 V HN 0.085 nan 8.190 nan 0.000 0.443 458 P HA 0.314 nan 4.420 nan 0.000 0.282 458 P C 1.033 178.320 177.300 -0.022 0.000 1.249 458 P CA 0.033 63.121 63.100 -0.020 0.000 0.806 458 P CB 1.724 33.415 31.700 -0.015 0.000 0.984 459 S N 2.484 118.167 115.700 -0.027 0.000 2.509 459 S HA -0.289 4.181 4.470 -0.000 0.000 0.285 459 S C 2.053 176.640 174.600 -0.021 0.000 1.185 459 S CA 2.450 60.633 58.200 -0.029 0.000 1.152 459 S CB -1.303 61.881 63.200 -0.026 0.000 1.088 459 S HN 0.817 nan 8.310 nan 0.000 0.446 460 G N -0.162 108.629 108.800 -0.015 0.000 2.485 460 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.221 460 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.221 460 G C 0.512 175.408 174.900 -0.006 0.000 1.115 460 G CA 1.424 46.519 45.100 -0.009 0.000 0.751 460 G HN 0.623 nan 8.290 nan 0.000 0.567 461 T N 0.122 114.671 114.554 -0.008 0.000 2.855 461 T HA 0.536 4.885 4.350 -0.000 0.000 0.281 461 T C -0.610 174.089 174.700 -0.002 0.000 1.007 461 T CA -0.501 61.598 62.100 -0.001 0.000 1.009 461 T CB 2.071 70.940 68.868 0.001 0.000 0.983 461 T HN -0.086 nan 8.240 nan 0.000 0.455 462 T N 2.459 117.020 114.554 0.011 0.000 2.758 462 T HA 0.402 4.752 4.350 -0.000 0.000 0.285 462 T C 1.014 175.731 174.700 0.029 0.000 0.981 462 T CA -0.860 61.251 62.100 0.018 0.000 0.965 462 T CB 0.347 69.234 68.868 0.031 0.000 0.927 462 T HN 0.873 nan 8.240 nan 0.000 0.448 463 N N 0.763 119.483 118.700 0.033 0.000 2.082 463 N HA 0.081 4.820 4.740 -0.000 0.000 0.228 463 N C 0.015 175.560 175.510 0.058 0.000 1.341 463 N CA -0.516 52.557 53.050 0.039 0.000 0.873 463 N CB 1.131 39.635 38.487 0.027 0.000 1.137 463 N HN 0.512 nan 8.380 nan 0.000 0.505 464 T N -0.513 114.092 114.554 0.085 0.000 2.933 464 T HA 0.749 5.099 4.350 -0.000 0.000 0.305 464 T C -1.704 173.095 174.700 0.164 0.000 1.092 464 T CA -0.464 61.710 62.100 0.124 0.000 1.008 464 T CB 1.846 70.806 68.868 0.153 0.000 1.102 464 T HN 0.273 nan 8.240 nan 0.000 0.469 465 A N 2.407 125.311 122.820 0.140 0.000 2.401 465 A HA 0.890 5.210 4.320 -0.000 0.000 0.310 465 A C -0.331 177.307 177.584 0.090 0.000 1.075 465 A CA -0.800 51.311 52.037 0.125 0.000 0.746 465 A CB 1.928 20.970 19.000 0.070 0.000 1.277 465 A HN 1.156 nan 8.150 nan 0.000 0.425 466 S N 1.125 116.853 115.700 0.048 0.000 2.689 466 S HA 0.494 4.963 4.470 -0.000 0.000 0.274 466 S C -1.178 173.393 174.600 -0.048 0.000 1.176 466 S CA -0.395 57.759 58.200 -0.077 0.000 1.014 466 S CB 0.773 63.786 63.200 -0.312 0.000 1.071 466 S HN 0.963 nan 8.310 nan 0.000 0.478 467 V N 5.699 125.543 119.914 -0.117 0.000 2.546 467 V HA 0.545 4.665 4.120 -0.000 0.000 0.284 467 V C -0.442 175.497 176.094 -0.259 0.000 1.050 467 V CA -0.232 62.014 62.300 -0.090 0.000 0.981 467 V CB 0.926 32.694 31.823 -0.090 0.000 0.990 467 V HN 0.919 nan 8.190 nan 0.000 0.474 468 H N 1.390 120.371 119.070 -0.148 0.000 2.851 468 H HA 0.647 5.203 4.556 -0.000 0.000 0.372 468 H C -0.838 174.438 175.328 -0.087 0.000 1.158 468 H CA -0.583 55.382 56.048 -0.137 0.000 1.159 468 H CB 2.060 31.716 29.762 -0.176 0.000 1.757 468 H HN 0.424 nan 8.280 nan 0.000 0.546 469 V N 4.064 123.988 119.914 0.018 0.000 2.394 469 V HA 0.211 4.331 4.120 -0.000 0.000 0.282 469 V C 0.494 176.601 176.094 0.023 0.000 1.031 469 V CA -0.655 61.651 62.300 0.010 0.000 0.881 469 V CB 0.948 32.764 31.823 -0.012 0.000 0.982 469 V HN 0.538 nan 8.190 nan 0.000 0.451 470 L N 0.000 121.232 121.223 0.015 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 470 L CA 0.000 54.843 54.840 0.005 0.000 0.813 470 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502