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 2ffh_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVTRD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMGDVASL DATA SEQUENCE AEKVRAAXXX XXXXXXXXEL SLEDFLKQMQ NLKRLGPFSE ILGLLPGVPQ DATA SEQUENCE GLKVDEKAIK RLEAIVLSMT PEERKDPRIL NGSRRKRIAK GSGTSVQEVN DATA SEQUENCE RFIKAFEEMK ALMKSLEK 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 0.000 176.161 176.300 -0.232 0.000 1.140 1 M CA 0.000 55.095 55.300 -0.342 0.000 0.988 1 M CB 0.000 32.287 32.600 -0.522 0.000 1.302 2 F N 1.325 121.291 119.950 0.027 0.000 2.829 2 F HA -0.321 4.206 4.527 0.000 0.000 0.237 2 F C 1.619 177.427 175.800 0.013 0.000 1.017 2 F CA 0.761 58.771 58.000 0.016 0.000 0.882 2 F CB -1.002 38.008 39.000 0.016 0.000 0.795 2 F HN 0.811 nan 8.300 nan 0.000 0.848 3 Q N 0.544 120.434 119.800 0.150 0.000 2.156 3 Q HA -0.312 4.028 4.340 0.000 0.000 0.211 3 Q C 2.015 178.063 176.000 0.081 0.000 0.995 3 Q CA 2.552 58.407 55.803 0.088 0.000 0.877 3 Q CB 0.027 28.801 28.738 0.060 0.000 0.920 3 Q HN 0.807 nan 8.270 nan 0.000 0.416 4 Q N -0.299 119.550 119.800 0.082 0.000 1.889 4 Q HA -0.194 4.146 4.340 0.000 0.000 0.211 4 Q C 2.207 178.238 176.000 0.051 0.000 0.988 4 Q CA 1.530 57.364 55.803 0.051 0.000 0.861 4 Q CB -0.366 28.391 28.738 0.032 0.000 0.922 4 Q HN 0.413 nan 8.270 nan 0.000 0.425 5 L N 0.539 121.795 121.223 0.055 0.000 2.064 5 L HA -0.274 4.066 4.340 0.000 0.000 0.216 5 L C 2.328 179.239 176.870 0.068 0.000 1.077 5 L CA 2.310 57.174 54.840 0.041 0.000 0.766 5 L CB -0.983 41.098 42.059 0.036 0.000 0.890 5 L HN 0.164 nan 8.230 nan 0.000 0.435 6 S N -1.046 114.721 115.700 0.111 0.000 2.356 6 S HA -0.171 4.299 4.470 0.000 0.000 0.223 6 S C 2.135 176.771 174.600 0.061 0.000 1.032 6 S CA 1.288 59.544 58.200 0.094 0.000 1.005 6 S CB -0.563 62.691 63.200 0.090 0.000 0.867 6 S HN 0.728 nan 8.310 nan 0.000 0.449 7 A N 1.154 124.004 122.820 0.051 0.000 1.940 7 A HA -0.109 4.211 4.320 0.000 0.000 0.219 7 A C 2.228 179.830 177.584 0.030 0.000 1.176 7 A CA 1.650 53.709 52.037 0.036 0.000 0.631 7 A CB -0.565 18.454 19.000 0.031 0.000 0.814 7 A HN 0.567 nan 8.150 nan 0.000 0.446 8 R N -0.839 119.677 120.500 0.028 0.000 2.057 8 R HA 0.091 4.431 4.340 0.000 0.000 0.229 8 R C 2.079 178.392 176.300 0.022 0.000 1.136 8 R CA 1.205 57.316 56.100 0.018 0.000 0.952 8 R CB -0.409 29.894 30.300 0.006 0.000 0.848 8 R HN 0.517 nan 8.270 nan 0.000 0.430 9 L N 0.741 121.981 121.223 0.028 0.000 2.129 9 L HA -0.259 4.081 4.340 0.000 0.000 0.212 9 L C 2.396 179.297 176.870 0.051 0.000 1.087 9 L CA 1.463 56.328 54.840 0.043 0.000 0.757 9 L CB -0.350 41.747 42.059 0.063 0.000 0.896 9 L HN 0.329 nan 8.230 nan 0.000 0.434 10 Q N -0.595 119.232 119.800 0.046 0.000 2.096 10 Q HA -0.210 4.130 4.340 0.000 0.000 0.197 10 Q C 2.111 178.129 176.000 0.030 0.000 0.964 10 Q CA 1.077 56.904 55.803 0.040 0.000 0.838 10 Q CB -0.068 28.691 28.738 0.036 0.000 0.906 10 Q HN 0.474 nan 8.270 nan 0.000 0.444 11 E N 0.706 120.922 120.200 0.026 0.000 2.097 11 E HA -0.249 4.101 4.350 0.000 0.000 0.196 11 E C 1.887 178.500 176.600 0.021 0.000 1.000 11 E CA 1.038 57.450 56.400 0.020 0.000 0.804 11 E CB -0.027 29.683 29.700 0.017 0.000 0.740 11 E HN 0.339 nan 8.360 nan 0.000 0.454 12 A N 1.255 124.090 122.820 0.025 0.000 1.841 12 A HA -0.207 4.113 4.320 0.000 0.000 0.216 12 A C 2.178 179.781 177.584 0.031 0.000 1.199 12 A CA 1.658 53.711 52.037 0.028 0.000 0.621 12 A CB -0.830 18.190 19.000 0.033 0.000 0.835 12 A HN 0.317 nan 8.150 nan 0.000 0.445 13 I N -0.165 120.428 120.570 0.038 0.000 2.335 13 I HA -0.232 3.938 4.170 0.000 0.000 0.251 13 I C 2.592 178.725 176.117 0.025 0.000 1.129 13 I CA 1.123 62.445 61.300 0.036 0.000 1.402 13 I CB -0.672 37.353 38.000 0.043 0.000 1.069 13 I HN 0.441 nan 8.210 nan 0.000 0.424 14 G N 0.502 109.315 108.800 0.023 0.000 2.422 14 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 14 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 14 G C 1.805 176.713 174.900 0.014 0.000 1.140 14 G CA 0.179 45.289 45.100 0.016 0.000 0.775 14 G HN 0.299 nan 8.290 nan 0.000 0.545 15 R N -0.799 119.710 120.500 0.015 0.000 2.152 15 R HA 0.038 4.378 4.340 0.000 0.000 0.232 15 R C 1.839 178.146 176.300 0.012 0.000 1.117 15 R CA 0.411 56.518 56.100 0.013 0.000 0.981 15 R CB -0.195 30.113 30.300 0.013 0.000 0.870 15 R HN 0.256 nan 8.270 nan 0.000 0.451 16 L N 0.409 121.640 121.223 0.014 0.000 2.554 16 L HA 0.023 4.363 4.340 0.000 0.000 0.226 16 L C 0.724 177.600 176.870 0.009 0.000 1.137 16 L CA 0.910 55.757 54.840 0.012 0.000 0.863 16 L CB -0.298 41.770 42.059 0.015 0.000 0.985 16 L HN -0.085 nan 8.230 nan 0.000 0.451 17 R N -0.160 120.345 120.500 0.008 0.000 2.347 17 R HA 0.387 4.727 4.340 0.000 0.000 0.304 17 R C 1.114 177.416 176.300 0.004 0.000 1.072 17 R CA 0.693 56.797 56.100 0.006 0.000 0.980 17 R CB 0.379 30.683 30.300 0.005 0.000 0.986 17 R HN 0.304 nan 8.270 nan 0.000 0.448 18 G N 2.897 111.699 108.800 0.003 0.000 2.176 18 G HA2 -0.317 3.643 3.960 0.000 0.000 0.253 18 G HA3 -0.317 3.643 3.960 0.000 0.000 0.253 18 G C 0.986 175.888 174.900 0.002 0.000 0.979 18 G CA 0.076 45.177 45.100 0.002 0.000 0.641 18 G HN 0.593 nan 8.290 nan 0.000 0.530 19 R N 0.921 121.423 120.500 0.003 0.000 2.276 19 R HA 0.332 4.672 4.340 0.000 0.000 0.203 19 R C 1.840 178.142 176.300 0.003 0.000 1.017 19 R CA 1.026 57.128 56.100 0.004 0.000 1.010 19 R CB -0.212 30.091 30.300 0.005 0.000 0.900 19 R HN 1.458 nan 8.270 nan 0.000 0.469 20 G N 1.751 110.552 108.800 0.002 0.000 2.698 20 G HA2 -0.359 3.601 3.960 0.000 0.000 0.233 20 G HA3 -0.359 3.601 3.960 0.000 0.000 0.233 20 G C -0.519 174.382 174.900 0.002 0.000 1.352 20 G CA -0.096 45.005 45.100 0.002 0.000 0.879 20 G HN 0.439 nan 8.290 nan 0.000 0.567 21 R N 0.017 120.519 120.500 0.002 0.000 2.566 21 R HA 0.252 4.592 4.340 0.000 0.000 0.273 21 R C 1.083 177.385 176.300 0.004 0.000 0.981 21 R CA 1.002 57.104 56.100 0.003 0.000 1.091 21 R CB -0.311 29.990 30.300 0.002 0.000 0.924 21 R HN 0.881 nan 8.270 nan 0.000 0.411 22 I N -0.427 120.145 120.570 0.004 0.000 3.023 22 I HA 0.547 4.717 4.170 0.000 0.000 0.312 22 I C -0.009 176.111 176.117 0.005 0.000 1.056 22 I CA -1.088 60.215 61.300 0.005 0.000 1.033 22 I CB 2.131 40.135 38.000 0.007 0.000 1.233 22 I HN 0.648 nan 8.210 nan 0.000 0.462 23 T N -1.783 112.775 114.554 0.006 0.000 2.934 23 T HA 0.280 4.630 4.350 0.000 0.000 0.283 23 T C 0.742 175.446 174.700 0.006 0.000 1.005 23 T CA -0.305 61.798 62.100 0.005 0.000 1.041 23 T CB 1.799 70.670 68.868 0.005 0.000 1.042 23 T HN 0.915 nan 8.240 nan 0.000 0.505 24 E N 0.164 120.368 120.200 0.006 0.000 2.118 24 E HA -0.204 4.146 4.350 0.000 0.000 0.195 24 E C 1.629 178.233 176.600 0.007 0.000 0.992 24 E CA 1.174 57.577 56.400 0.006 0.000 0.804 24 E CB 0.015 29.718 29.700 0.005 0.000 0.741 24 E HN 0.673 nan 8.360 nan 0.000 0.458 25 E N 0.632 120.836 120.200 0.006 0.000 2.268 25 E HA -0.144 4.206 4.350 0.000 0.000 0.195 25 E C 1.429 178.033 176.600 0.008 0.000 0.995 25 E CA 0.677 57.081 56.400 0.007 0.000 0.836 25 E CB 0.011 29.714 29.700 0.006 0.000 0.763 25 E HN 0.410 nan 8.360 nan 0.000 0.491 26 D N 0.437 120.842 120.400 0.008 0.000 2.110 26 D HA -0.106 4.534 4.640 0.000 0.000 0.202 26 D C 2.056 178.364 176.300 0.012 0.000 0.975 26 D CA 0.342 54.348 54.000 0.010 0.000 0.839 26 D CB -0.230 40.576 40.800 0.009 0.000 0.996 26 D HN 0.118 nan 8.370 nan 0.000 0.464 27 L N 1.570 122.800 121.223 0.012 0.000 2.187 27 L HA -0.121 4.219 4.340 0.000 0.000 0.213 27 L C 1.794 178.675 176.870 0.017 0.000 1.100 27 L CA 1.676 56.525 54.840 0.015 0.000 0.765 27 L CB -0.362 41.705 42.059 0.013 0.000 0.904 27 L HN -0.150 nan 8.230 nan 0.000 0.437 28 K N -1.015 119.393 120.400 0.014 0.000 2.217 28 K HA -0.003 4.317 4.320 0.000 0.000 0.202 28 K C 1.964 178.573 176.600 0.015 0.000 1.051 28 K CA 0.884 57.179 56.287 0.013 0.000 0.952 28 K CB -0.039 32.467 32.500 0.010 0.000 0.736 28 K HN 0.520 nan 8.250 nan 0.000 0.453 29 A N 0.355 123.183 122.820 0.014 0.000 1.855 29 A HA -0.088 4.232 4.320 0.000 0.000 0.213 29 A C 2.125 179.719 177.584 0.018 0.000 1.195 29 A CA 1.641 53.687 52.037 0.014 0.000 0.610 29 A CB -0.863 18.145 19.000 0.012 0.000 0.837 29 A HN 0.193 nan 8.150 nan 0.000 0.444 30 T N 0.810 115.376 114.554 0.021 0.000 2.778 30 T HA -0.140 4.210 4.350 0.000 0.000 0.269 30 T C 1.735 176.457 174.700 0.036 0.000 1.050 30 T CA 1.549 63.666 62.100 0.028 0.000 1.137 30 T CB -0.439 68.447 68.868 0.030 0.000 0.860 30 T HN 0.355 nan 8.240 nan 0.000 0.468 31 L N -0.052 121.191 121.223 0.034 0.000 2.056 31 L HA -0.039 4.301 4.340 0.000 0.000 0.207 31 L C 2.900 179.790 176.870 0.034 0.000 1.078 31 L CA 1.324 56.189 54.840 0.043 0.000 0.749 31 L CB -0.456 41.625 42.059 0.036 0.000 0.901 31 L HN 0.147 nan 8.230 nan 0.000 0.433 32 R N 0.223 120.736 120.500 0.022 0.000 2.080 32 R HA -0.179 4.161 4.340 0.000 0.000 0.236 32 R C 2.224 178.529 176.300 0.009 0.000 1.137 32 R CA 1.652 57.760 56.100 0.013 0.000 0.943 32 R CB -0.256 30.049 30.300 0.009 0.000 0.846 32 R HN 0.420 nan 8.270 nan 0.000 0.431 33 E N 0.356 120.563 120.200 0.012 0.000 2.086 33 E HA -0.252 4.098 4.350 0.000 0.000 0.200 33 E C 2.043 178.644 176.600 0.002 0.000 1.012 33 E CA 1.496 57.901 56.400 0.008 0.000 0.812 33 E CB -0.244 29.464 29.700 0.014 0.000 0.743 33 E HN 0.388 nan 8.360 nan 0.000 0.453 34 I N 0.663 121.242 120.570 0.014 0.000 2.179 34 I HA -0.266 3.904 4.170 0.000 0.000 0.242 34 I C 2.826 178.919 176.117 -0.039 0.000 1.088 34 I CA 1.003 62.306 61.300 0.005 0.000 1.357 34 I CB -0.302 37.740 38.000 0.070 0.000 1.051 34 I HN 0.063 nan 8.210 nan 0.000 0.409 35 R N 1.041 121.533 120.500 -0.013 0.000 2.105 35 R HA -0.172 4.168 4.340 0.000 0.000 0.239 35 R C 2.459 178.729 176.300 -0.050 0.000 1.135 35 R CA 1.276 57.357 56.100 -0.031 0.000 0.967 35 R CB -0.060 30.235 30.300 -0.007 0.000 0.861 35 R HN 0.254 nan 8.270 nan 0.000 0.442 36 R N 0.358 120.837 120.500 -0.035 0.000 2.070 36 R HA -0.073 4.267 4.340 0.000 0.000 0.233 36 R C 2.333 178.602 176.300 -0.051 0.000 1.137 36 R CA 1.369 57.448 56.100 -0.034 0.000 0.945 36 R CB -0.952 29.337 30.300 -0.019 0.000 0.845 36 R HN 0.309 nan 8.270 nan 0.000 0.430 37 A N 1.912 124.699 122.820 -0.055 0.000 1.884 37 A HA -0.201 4.119 4.320 0.000 0.000 0.219 37 A C 2.447 179.968 177.584 -0.105 0.000 1.197 37 A CA 1.672 53.669 52.037 -0.067 0.000 0.637 37 A CB -0.874 18.087 19.000 -0.064 0.000 0.827 37 A HN 0.216 nan 8.150 nan 0.000 0.450 38 L N -1.721 119.406 121.223 -0.160 0.000 2.012 38 L HA -0.226 4.114 4.340 0.000 0.000 0.210 38 L C 2.926 179.714 176.870 -0.136 0.000 1.073 38 L CA 1.854 56.573 54.840 -0.202 0.000 0.748 38 L CB -0.531 41.357 42.059 -0.284 0.000 0.891 38 L HN 0.435 nan 8.230 nan 0.000 0.431 39 M N -0.609 118.930 119.600 -0.101 0.000 2.213 39 M HA -0.206 4.274 4.480 0.000 0.000 0.263 39 M C 1.281 177.545 176.300 -0.060 0.000 1.062 39 M CA 1.454 56.710 55.300 -0.073 0.000 1.105 39 M CB -0.242 32.325 32.600 -0.055 0.000 1.385 39 M HN 0.223 nan 8.290 nan 0.000 0.417 40 D N -0.311 120.055 120.400 -0.056 0.000 2.349 40 D HA 0.083 4.723 4.640 0.000 0.000 0.215 40 D C 1.269 177.538 176.300 -0.052 0.000 1.016 40 D CA 0.502 54.477 54.000 -0.042 0.000 0.870 40 D CB 0.283 41.066 40.800 -0.029 0.000 0.917 40 D HN 0.294 nan 8.370 nan 0.000 0.524 41 A N 0.493 123.267 122.820 -0.076 0.000 2.308 41 A HA 0.070 4.390 4.320 0.000 0.000 0.217 41 A C 0.372 177.890 177.584 -0.110 0.000 1.216 41 A CA -0.005 51.975 52.037 -0.095 0.000 0.864 41 A CB 0.351 19.279 19.000 -0.121 0.000 0.902 41 A HN -0.106 nan 8.150 nan 0.000 0.499 42 D N -1.700 118.646 120.400 -0.089 0.000 3.077 42 D HA -0.134 4.506 4.640 0.000 0.000 0.212 42 D C 0.108 176.351 176.300 -0.095 0.000 1.125 42 D CA 1.067 55.017 54.000 -0.083 0.000 0.970 42 D CB -2.030 38.723 40.800 -0.079 0.000 1.110 42 D HN 0.257 nan 8.370 nan 0.000 0.419 43 V N 1.225 121.070 119.914 -0.116 0.000 2.788 43 V HA -0.053 4.067 4.120 0.000 0.000 0.307 43 V C 1.522 177.564 176.094 -0.086 0.000 1.069 43 V CA -0.005 62.225 62.300 -0.116 0.000 1.173 43 V CB 0.901 32.635 31.823 -0.150 0.000 0.925 43 V HN 0.293 nan 8.190 nan 0.000 0.492 44 N N 2.080 120.740 118.700 -0.068 0.000 2.231 44 N HA -0.014 4.726 4.740 0.000 0.000 0.223 44 N C 0.674 176.138 175.510 -0.077 0.000 1.329 44 N CA -0.244 52.774 53.050 -0.054 0.000 0.889 44 N CB 0.582 39.054 38.487 -0.024 0.000 1.125 44 N HN 0.485 nan 8.380 nan 0.000 0.447 45 L N 1.530 122.709 121.223 -0.073 0.000 2.062 45 L HA -0.015 4.325 4.340 0.000 0.000 0.202 45 L C 2.461 179.266 176.870 -0.109 0.000 1.079 45 L CA 1.502 56.296 54.840 -0.076 0.000 0.755 45 L CB -1.040 40.986 42.059 -0.053 0.000 0.913 45 L HN 0.777 nan 8.230 nan 0.000 0.445 46 E N -0.933 119.169 120.200 -0.165 0.000 2.333 46 E HA -0.159 4.191 4.350 0.000 0.000 0.198 46 E C 1.789 178.234 176.600 -0.258 0.000 1.007 46 E CA 1.120 57.393 56.400 -0.211 0.000 0.845 46 E CB -0.038 29.513 29.700 -0.248 0.000 0.766 46 E HN 0.278 nan 8.360 nan 0.000 0.507 47 V N 0.149 119.897 119.914 -0.277 0.000 2.346 47 V HA -0.196 3.924 4.120 0.000 0.000 0.244 47 V C 2.246 178.331 176.094 -0.016 0.000 1.037 47 V CA 1.999 64.206 62.300 -0.155 0.000 1.029 47 V CB -0.733 31.023 31.823 -0.111 0.000 0.663 47 V HN 0.388 nan 8.190 nan 0.000 0.454 48 T N -0.251 114.277 114.554 -0.044 0.000 2.674 48 T HA -0.218 4.132 4.350 0.000 0.000 0.265 48 T C 1.994 176.720 174.700 0.043 0.000 1.039 48 T CA 1.724 63.815 62.100 -0.016 0.000 1.150 48 T CB -0.257 68.575 68.868 -0.061 0.000 0.864 48 T HN 0.307 nan 8.240 nan 0.000 0.427 49 R N 0.879 121.377 120.500 -0.004 0.000 2.154 49 R HA -0.224 4.116 4.340 0.000 0.000 0.236 49 R C 2.324 178.643 176.300 0.031 0.000 1.121 49 R CA 2.397 58.498 56.100 0.002 0.000 0.915 49 R CB -0.601 29.682 30.300 -0.028 0.000 0.856 49 R HN 0.303 nan 8.270 nan 0.000 0.431 50 D N -0.745 119.663 120.400 0.014 0.000 2.221 50 D HA -0.186 4.454 4.640 0.000 0.000 0.204 50 D C 1.673 178.007 176.300 0.056 0.000 0.982 50 D CA 0.908 54.918 54.000 0.017 0.000 0.857 50 D CB -0.124 40.668 40.800 -0.013 0.000 0.934 50 D HN 0.241 nan 8.370 nan 0.000 0.475 51 F N 0.254 120.179 119.950 -0.041 0.000 2.075 51 F HA -0.168 4.359 4.527 0.000 0.000 0.297 51 F C 2.245 178.036 175.800 -0.015 0.000 1.113 51 F CA 1.228 59.213 58.000 -0.025 0.000 1.218 51 F CB -0.460 38.525 39.000 -0.025 0.000 0.984 51 F HN -0.119 nan 8.300 nan 0.000 0.472 52 V N 0.032 120.124 119.914 0.297 0.000 2.295 52 V HA -0.287 3.833 4.120 0.000 0.000 0.246 52 V C 2.284 178.421 176.094 0.072 0.000 1.049 52 V CA 2.176 64.585 62.300 0.182 0.000 1.024 52 V CB -0.802 31.090 31.823 0.115 0.000 0.648 52 V HN 0.204 nan 8.190 nan 0.000 0.447 53 E N 0.008 120.234 120.200 0.042 0.000 2.118 53 E HA -0.200 4.150 4.350 0.000 0.000 0.195 53 E C 2.347 178.937 176.600 -0.017 0.000 0.992 53 E CA 1.199 57.604 56.400 0.009 0.000 0.804 53 E CB -0.411 29.291 29.700 0.004 0.000 0.741 53 E HN 0.472 nan 8.360 nan 0.000 0.458 54 R N -0.023 120.449 120.500 -0.047 0.000 2.148 54 R HA -0.061 4.279 4.340 0.000 0.000 0.227 54 R C 1.771 178.016 176.300 -0.092 0.000 1.103 54 R CA 0.760 56.808 56.100 -0.086 0.000 0.983 54 R CB 0.063 30.275 30.300 -0.147 0.000 0.874 54 R HN 0.082 nan 8.270 nan 0.000 0.451 55 V N 1.235 121.101 119.914 -0.079 0.000 2.273 55 V HA -0.210 3.910 4.120 0.000 0.000 0.242 55 V C 2.565 178.652 176.094 -0.013 0.000 1.035 55 V CA 2.054 64.325 62.300 -0.048 0.000 1.013 55 V CB -0.676 31.155 31.823 0.012 0.000 0.652 55 V HN 0.433 nan 8.190 nan 0.000 0.452 56 R N 0.580 121.083 120.500 0.004 0.000 2.097 56 R HA -0.275 4.065 4.340 0.000 0.000 0.236 56 R C 2.249 178.547 176.300 -0.003 0.000 1.135 56 R CA 2.547 58.651 56.100 0.007 0.000 0.934 56 R CB -0.619 29.688 30.300 0.011 0.000 0.846 56 R HN 0.623 nan 8.270 nan 0.000 0.431 57 E N 0.019 120.213 120.200 -0.010 0.000 2.033 57 E HA -0.231 4.119 4.350 0.000 0.000 0.199 57 E C 2.031 178.623 176.600 -0.015 0.000 1.011 57 E CA 1.848 58.240 56.400 -0.013 0.000 0.815 57 E CB 0.010 29.699 29.700 -0.018 0.000 0.755 57 E HN 0.435 nan 8.360 nan 0.000 0.451 58 E N -0.221 119.965 120.200 -0.023 0.000 2.110 58 E HA -0.190 4.160 4.350 0.000 0.000 0.193 58 E C 1.940 178.532 176.600 -0.012 0.000 0.988 58 E CA 0.916 57.303 56.400 -0.022 0.000 0.804 58 E CB -0.173 29.506 29.700 -0.035 0.000 0.745 58 E HN 0.328 nan 8.360 nan 0.000 0.458 59 A N 1.385 124.200 122.820 -0.008 0.000 1.873 59 A HA -0.125 4.195 4.320 0.000 0.000 0.215 59 A C 2.372 179.956 177.584 0.000 0.000 1.186 59 A CA 0.929 52.966 52.037 -0.000 0.000 0.616 59 A CB -0.707 18.297 19.000 0.006 0.000 0.823 59 A HN 0.137 nan 8.150 nan 0.000 0.442 60 L N -0.588 120.635 121.223 -0.000 0.000 2.012 60 L HA -0.160 4.180 4.340 0.000 0.000 0.210 60 L C 2.700 179.569 176.870 -0.002 0.000 1.073 60 L CA 1.254 56.094 54.840 -0.000 0.000 0.748 60 L CB -0.883 41.176 42.059 -0.000 0.000 0.891 60 L HN 0.498 nan 8.230 nan 0.000 0.431 61 G N -0.780 108.017 108.800 -0.004 0.000 2.653 61 G HA2 -0.164 3.796 3.960 0.000 0.000 0.212 61 G HA3 -0.164 3.796 3.960 0.000 0.000 0.212 61 G C 1.441 176.339 174.900 -0.003 0.000 1.138 61 G CA 0.303 45.401 45.100 -0.004 0.000 0.782 61 G HN 0.131 nan 8.290 nan 0.000 0.535 62 K N 0.119 120.518 120.400 -0.002 0.000 2.373 62 K HA 0.095 4.415 4.320 0.000 0.000 0.202 62 K C 0.516 177.115 176.600 -0.001 0.000 1.025 62 K CA -0.124 56.162 56.287 -0.002 0.000 1.115 62 K CB 0.585 33.084 32.500 -0.001 0.000 0.858 62 K HN 0.169 nan 8.250 nan 0.000 0.525 63 Q N -0.516 119.284 119.800 -0.000 0.000 2.470 63 Q HA -0.147 4.193 4.340 0.000 0.000 0.294 63 Q C 1.103 177.104 176.000 0.001 0.000 1.356 63 Q CA 0.401 56.204 55.803 0.000 0.000 0.805 63 Q CB -3.022 25.716 28.738 -0.001 0.000 1.157 63 Q HN 0.050 nan 8.270 nan 0.000 0.431 64 V N 0.256 120.171 119.914 0.002 0.000 2.214 64 V HA -0.264 3.856 4.120 0.000 0.000 0.245 64 V C 2.327 178.423 176.094 0.004 0.000 1.047 64 V CA 2.270 64.572 62.300 0.004 0.000 0.998 64 V CB -0.400 31.426 31.823 0.006 0.000 0.633 64 V HN 0.610 nan 8.190 nan 0.000 0.446 65 L N -0.082 121.143 121.223 0.004 0.000 2.661 65 L HA -0.184 4.156 4.340 0.000 0.000 0.236 65 L C 1.417 178.288 176.870 0.003 0.000 1.176 65 L CA 1.252 56.094 54.840 0.004 0.000 0.836 65 L CB -0.537 41.524 42.059 0.004 0.000 0.960 65 L HN 0.549 nan 8.230 nan 0.000 0.455 66 E N -2.306 117.895 120.200 0.002 0.000 2.789 66 E HA 0.114 4.464 4.350 0.000 0.000 0.217 66 E C 0.101 176.701 176.600 0.001 0.000 0.970 66 E CA -0.135 56.266 56.400 0.001 0.000 1.201 66 E CB 0.916 30.616 29.700 0.001 0.000 1.069 66 E HN 0.044 nan 8.360 nan 0.000 0.499 67 S N 0.564 116.265 115.700 0.001 0.000 2.541 67 S HA 0.240 4.710 4.470 0.000 0.000 0.283 67 S C 0.620 175.220 174.600 0.000 0.000 1.196 67 S CA -0.564 57.636 58.200 0.000 0.000 1.062 67 S CB 0.948 64.148 63.200 0.000 0.000 1.009 67 S HN 0.197 nan 8.310 nan 0.000 0.502 68 L N 4.328 125.551 121.223 -0.001 0.000 2.376 68 L HA 0.166 4.506 4.340 0.000 0.000 0.219 68 L C 1.239 178.109 176.870 -0.001 0.000 1.133 68 L CA 1.460 56.299 54.840 -0.001 0.000 0.816 68 L CB -0.378 41.680 42.059 -0.002 0.000 0.933 68 L HN 0.890 nan 8.230 nan 0.000 0.449 69 T N -4.101 110.452 114.554 -0.001 0.000 3.410 69 T HA 0.320 4.670 4.350 0.000 0.000 0.328 69 T C -1.676 173.025 174.700 0.001 0.000 1.567 69 T CA -1.297 60.802 62.100 -0.001 0.000 1.626 69 T CB 0.568 69.433 68.868 -0.004 0.000 0.939 69 T HN -0.002 nan 8.240 nan 0.000 0.656 70 P HA -0.129 nan 4.420 nan 0.000 0.216 70 P C 1.748 179.054 177.300 0.009 0.000 1.150 70 P CA 1.244 64.347 63.100 0.006 0.000 0.837 70 P CB 0.030 31.734 31.700 0.007 0.000 0.786 71 A N 1.145 123.970 122.820 0.008 0.000 1.851 71 A HA -0.205 4.115 4.320 0.000 0.000 0.216 71 A C 2.294 179.884 177.584 0.009 0.000 1.195 71 A CA 1.708 53.751 52.037 0.011 0.000 0.622 71 A CB -1.460 17.545 19.000 0.008 0.000 0.831 71 A HN 0.077 nan 8.150 nan 0.000 0.444 72 E N -0.343 119.858 120.200 0.001 0.000 2.396 72 E HA -0.100 4.250 4.350 0.000 0.000 0.200 72 E C 1.891 178.489 176.600 -0.004 0.000 1.023 72 E CA 1.009 57.405 56.400 -0.007 0.000 0.857 72 E CB -0.164 29.529 29.700 -0.013 0.000 0.775 72 E HN 0.426 nan 8.360 nan 0.000 0.525 73 V N 0.511 120.427 119.914 0.004 0.000 2.825 73 V HA -0.105 4.015 4.120 0.000 0.000 0.246 73 V C 2.129 178.234 176.094 0.017 0.000 1.068 73 V CA 0.421 62.725 62.300 0.007 0.000 1.088 73 V CB 0.013 31.840 31.823 0.006 0.000 0.733 73 V HN 0.180 nan 8.190 nan 0.000 0.468 74 I N 0.211 120.795 120.570 0.024 0.000 2.315 74 I HA -0.150 4.020 4.170 0.000 0.000 0.248 74 I C 2.410 178.558 176.117 0.053 0.000 1.117 74 I CA 1.489 62.813 61.300 0.039 0.000 1.404 74 I CB -0.967 37.058 38.000 0.042 0.000 1.071 74 I HN 0.341 nan 8.210 nan 0.000 0.419 75 L N 1.892 123.139 121.223 0.041 0.000 2.017 75 L HA -0.092 4.248 4.340 0.000 0.000 0.208 75 L C 2.507 179.410 176.870 0.054 0.000 1.073 75 L CA 2.314 57.182 54.840 0.046 0.000 0.745 75 L CB -1.097 40.967 42.059 0.009 0.000 0.894 75 L HN 0.152 nan 8.230 nan 0.000 0.432 76 A N -1.777 121.057 122.820 0.024 0.000 2.015 76 A HA -0.144 4.176 4.320 0.000 0.000 0.219 76 A C 2.241 179.881 177.584 0.094 0.000 1.163 76 A CA 2.072 54.129 52.037 0.033 0.000 0.646 76 A CB -1.021 17.982 19.000 0.005 0.000 0.806 76 A HN 0.544 nan 8.150 nan 0.000 0.448 77 T N -0.855 113.736 114.554 0.061 0.000 2.894 77 T HA -0.021 4.329 4.350 0.000 0.000 0.258 77 T C 1.859 176.566 174.700 0.013 0.000 1.043 77 T CA 1.301 63.418 62.100 0.029 0.000 1.141 77 T CB -0.162 68.711 68.868 0.008 0.000 0.873 77 T HN 0.148 nan 8.240 nan 0.000 0.449 78 V N 0.838 120.799 119.914 0.079 0.000 2.427 78 V HA -0.135 3.985 4.120 0.000 0.000 0.248 78 V C 1.962 178.147 176.094 0.151 0.000 1.051 78 V CA 1.398 63.775 62.300 0.128 0.000 1.048 78 V CB -0.739 31.227 31.823 0.238 0.000 0.666 78 V HN 0.479 nan 8.190 nan 0.000 0.456 79 Y N 1.654 121.972 120.300 0.031 0.000 2.014 79 Y HA -0.259 4.291 4.550 0.000 0.000 0.270 79 Y C 2.673 178.566 175.900 -0.011 0.000 1.145 79 Y CA 2.145 60.263 58.100 0.030 0.000 1.106 79 Y CB -0.365 38.103 38.460 0.014 0.000 0.968 79 Y HN 0.205 nan 8.280 nan 0.000 0.484 80 E N 0.265 120.474 120.200 0.015 0.000 2.273 80 E HA -0.235 4.115 4.350 0.000 0.000 0.198 80 E C 2.245 178.717 176.600 -0.213 0.000 1.002 80 E CA 0.984 57.304 56.400 -0.132 0.000 0.828 80 E CB -0.482 29.202 29.700 -0.028 0.000 0.747 80 E HN 0.613 nan 8.360 nan 0.000 0.491 81 A N 1.052 123.699 122.820 -0.288 0.000 1.873 81 A HA -0.113 4.207 4.320 0.000 0.000 0.215 81 A C 2.346 179.691 177.584 -0.398 0.000 1.186 81 A CA 0.824 52.492 52.037 -0.615 0.000 0.616 81 A CB -0.616 17.570 19.000 -1.357 0.000 0.823 81 A HN 0.152 nan 8.150 nan 0.000 0.442 82 L N -0.578 120.600 121.223 -0.074 0.000 1.994 82 L HA -0.242 4.098 4.340 0.000 0.000 0.208 82 L C 2.631 179.511 176.870 0.016 0.000 1.071 82 L CA 1.929 56.885 54.840 0.193 0.000 0.745 82 L CB -0.533 41.646 42.059 0.201 0.000 0.892 82 L HN 0.362 nan 8.230 nan 0.000 0.431 83 K N -0.132 120.166 120.400 -0.170 0.000 2.034 83 K HA -0.305 4.015 4.320 0.000 0.000 0.214 83 K C 2.055 178.600 176.600 -0.093 0.000 1.051 83 K CA 2.140 58.309 56.287 -0.198 0.000 0.931 83 K CB -0.285 32.017 32.500 -0.331 0.000 0.715 83 K HN 0.319 nan 8.250 nan 0.000 0.446 84 E N 0.492 120.635 120.200 -0.096 0.000 2.058 84 E HA -0.241 4.109 4.350 0.000 0.000 0.194 84 E C 1.972 178.577 176.600 0.009 0.000 0.997 84 E CA 1.286 57.654 56.400 -0.053 0.000 0.801 84 E CB -0.113 29.537 29.700 -0.083 0.000 0.746 84 E HN 0.358 nan 8.360 nan 0.000 0.450 85 A N 0.785 123.635 122.820 0.051 0.000 1.978 85 A HA -0.127 4.193 4.320 0.000 0.000 0.220 85 A C 1.993 179.646 177.584 0.115 0.000 1.170 85 A CA 1.085 53.189 52.037 0.112 0.000 0.636 85 A CB -0.413 18.709 19.000 0.204 0.000 0.810 85 A HN 0.327 nan 8.150 nan 0.000 0.448 86 L N -1.388 119.909 121.223 0.124 0.000 2.653 86 L HA 0.308 4.648 4.340 0.000 0.000 0.232 86 L C 1.525 178.498 176.870 0.172 0.000 1.169 86 L CA 0.462 55.422 54.840 0.200 0.000 0.951 86 L CB -0.025 42.195 42.059 0.268 0.000 1.181 86 L HN 0.561 nan 8.230 nan 0.000 0.460 87 G N -1.277 107.572 108.800 0.083 0.000 2.218 87 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 87 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 87 G C 0.881 175.783 174.900 0.003 0.000 0.994 87 G CA -0.250 44.880 45.100 0.050 0.000 0.637 87 G HN 0.627 nan 8.290 nan 0.000 0.505 88 G N 0.224 109.009 108.800 -0.025 0.000 4.886 88 G HA2 -0.258 3.702 3.960 0.000 0.000 0.305 88 G HA3 -0.258 3.702 3.960 0.000 0.000 0.305 88 G C 0.185 175.050 174.900 -0.058 0.000 1.483 88 G CA 1.132 46.202 45.100 -0.049 0.000 1.029 88 G HN 1.418 nan 8.290 nan 0.000 0.746 89 E N 1.266 121.446 120.200 -0.034 0.000 2.248 89 E HA 0.614 4.964 4.350 0.000 0.000 0.272 89 E C 0.192 176.774 176.600 -0.030 0.000 1.008 89 E CA -0.311 56.076 56.400 -0.022 0.000 0.856 89 E CB 1.628 31.326 29.700 -0.003 0.000 1.120 89 E HN 0.950 nan 8.360 nan 0.000 0.397 90 A N 3.108 125.919 122.820 -0.015 0.000 2.438 90 A HA 0.157 4.477 4.320 0.000 0.000 0.280 90 A C -0.044 177.511 177.584 -0.048 0.000 1.160 90 A CA 0.010 52.009 52.037 -0.063 0.000 0.821 90 A CB -0.076 18.931 19.000 0.011 0.000 1.101 90 A HN 0.500 nan 8.150 nan 0.000 0.515 91 R N 1.372 121.854 120.500 -0.031 0.000 2.674 91 R HA 0.856 5.196 4.340 0.000 0.000 0.266 91 R C -1.053 175.236 176.300 -0.018 0.000 1.016 91 R CA -0.673 55.440 56.100 0.021 0.000 1.062 91 R CB 1.355 31.721 30.300 0.110 0.000 1.142 91 R HN 0.664 nan 8.270 nan 0.000 0.517 92 L N 1.823 122.992 121.223 -0.090 0.000 2.549 92 L HA 0.355 4.695 4.340 0.000 0.000 0.259 92 L C -2.316 174.273 176.870 -0.469 0.000 0.934 92 L CA -2.156 52.474 54.840 -0.350 0.000 0.865 92 L CB 2.808 44.745 42.059 -0.203 0.000 1.352 92 L HN 0.524 nan 8.230 nan 0.000 0.410 93 P HA -0.089 nan 4.420 nan 0.000 0.264 93 P C -0.539 176.675 177.300 -0.143 0.000 1.173 93 P CA 0.127 62.841 63.100 -0.643 0.000 0.761 93 P CB 1.156 32.356 31.700 -0.832 0.000 0.794 94 V N 4.921 124.802 119.914 -0.055 0.000 2.406 94 V HA 0.171 4.292 4.120 0.000 0.000 0.272 94 V C 0.429 176.577 176.094 0.090 0.000 1.043 94 V CA -0.538 61.780 62.300 0.029 0.000 0.915 94 V CB 0.064 31.900 31.823 0.021 0.000 0.988 94 V HN 0.337 nan 8.190 nan 0.000 0.466 95 L N 6.870 128.148 121.223 0.091 0.000 2.456 95 L HA 0.509 4.849 4.340 0.000 0.000 0.257 95 L C 0.366 177.260 176.870 0.039 0.000 1.162 95 L CA -0.265 54.616 54.840 0.069 0.000 0.808 95 L CB 0.905 42.964 42.059 -0.000 0.000 1.136 95 L HN 0.661 nan 8.230 nan 0.000 0.466 96 K N -0.405 120.005 120.400 0.017 0.000 1.850 96 K HA 0.275 4.595 4.320 0.000 0.000 0.251 96 K C 0.104 176.695 176.600 -0.016 0.000 0.971 96 K CA -0.851 55.441 56.287 0.010 0.000 0.853 96 K CB 0.515 33.029 32.500 0.024 0.000 1.870 96 K HN 0.363 nan 8.250 nan 0.000 0.704 97 D N 0.347 120.738 120.400 -0.014 0.000 2.277 97 D HA 0.044 4.684 4.640 0.000 0.000 0.209 97 D C -0.186 176.090 176.300 -0.039 0.000 0.970 97 D CA 0.983 54.968 54.000 -0.024 0.000 0.874 97 D CB 0.559 41.350 40.800 -0.015 0.000 0.982 97 D HN 0.091 nan 8.370 nan 0.000 0.504 98 R N 1.236 121.717 120.500 -0.032 0.000 2.513 98 R HA 0.453 4.793 4.340 0.000 0.000 0.301 98 R C -1.067 175.209 176.300 -0.040 0.000 0.968 98 R CA -0.567 55.508 56.100 -0.041 0.000 0.872 98 R CB 1.318 31.605 30.300 -0.022 0.000 1.177 98 R HN -0.049 nan 8.270 nan 0.000 0.444 99 N N 1.478 120.121 118.700 -0.095 0.000 2.249 99 N HA 0.512 5.252 4.740 0.000 0.000 0.296 99 N C -1.446 173.986 175.510 -0.130 0.000 1.051 99 N CA -0.739 52.248 53.050 -0.105 0.000 0.815 99 N CB 2.206 40.527 38.487 -0.277 0.000 1.487 99 N HN 0.272 nan 8.380 nan 0.000 0.475 100 L N 2.245 123.493 121.223 0.041 0.000 2.471 100 L HA 0.608 4.948 4.340 0.000 0.000 0.263 100 L C -1.881 175.213 176.870 0.372 0.000 0.985 100 L CA -0.396 54.510 54.840 0.109 0.000 0.868 100 L CB 0.325 42.447 42.059 0.105 0.000 1.203 100 L HN 0.510 nan 8.230 nan 0.000 0.429 101 W N 3.610 124.979 121.300 0.116 0.000 2.578 101 W HA 0.556 5.216 4.660 0.000 0.000 0.353 101 W C -0.577 176.158 176.519 0.360 0.000 1.088 101 W CA -1.007 56.439 57.345 0.168 0.000 1.235 101 W CB 1.079 30.613 29.460 0.124 0.000 1.362 101 W HN 0.180 nan 8.180 nan 0.000 0.592 102 F N 1.293 121.402 119.950 0.265 0.000 2.508 102 F HA 0.550 5.077 4.527 0.000 0.000 0.325 102 F C -0.375 175.502 175.800 0.128 0.000 1.090 102 F CA -1.845 56.248 58.000 0.154 0.000 0.945 102 F CB 1.247 40.311 39.000 0.108 0.000 1.156 102 F HN -0.164 nan 8.300 nan 0.000 0.463 103 L N 4.873 126.179 121.223 0.139 0.000 2.318 103 L HA 0.590 4.930 4.340 0.000 0.000 0.277 103 L C -0.740 176.121 176.870 -0.014 0.000 1.008 103 L CA -0.775 54.106 54.840 0.068 0.000 0.846 103 L CB 1.255 43.339 42.059 0.042 0.000 1.220 103 L HN 0.412 nan 8.230 nan 0.000 0.423 104 V N 0.192 120.082 119.914 -0.040 0.000 3.019 104 V HA 1.119 5.239 4.120 0.000 0.000 0.317 104 V C 0.154 176.029 176.094 -0.365 0.000 1.094 104 V CA -0.210 62.012 62.300 -0.131 0.000 1.000 104 V CB 1.591 33.398 31.823 -0.028 0.000 1.060 104 V HN 0.808 nan 8.190 nan 0.000 0.443 105 G N 0.468 108.965 108.800 -0.506 0.000 2.356 105 G HA2 0.305 4.265 3.960 0.000 0.000 0.288 105 G HA3 0.305 4.265 3.960 0.000 0.000 0.288 105 G C -1.649 173.164 174.900 -0.145 0.000 1.302 105 G CA -0.754 44.001 45.100 -0.577 0.000 0.887 105 G HN 0.886 nan 8.290 nan 0.000 0.521 106 L N 0.560 121.749 121.223 -0.058 0.000 2.439 106 L HA 0.501 4.841 4.340 0.000 0.000 0.259 106 L C 1.101 177.981 176.870 0.017 0.000 1.129 106 L CA -0.662 54.213 54.840 0.058 0.000 0.803 106 L CB 1.456 43.557 42.059 0.070 0.000 1.161 106 L HN 0.733 nan 8.230 nan 0.000 0.462 107 Q N 0.660 120.479 119.800 0.031 0.000 2.337 107 Q HA 0.214 4.554 4.340 0.000 0.000 0.270 107 Q C 0.611 176.615 176.000 0.006 0.000 1.002 107 Q CA 0.783 56.594 55.803 0.014 0.000 0.888 107 Q CB 0.628 29.377 28.738 0.018 0.000 1.222 107 Q HN 0.841 nan 8.270 nan 0.000 0.400 108 G N 2.495 111.293 108.800 -0.003 0.000 2.171 108 G HA2 -0.246 3.714 3.960 0.000 0.000 0.238 108 G HA3 -0.246 3.714 3.960 0.000 0.000 0.238 108 G C 0.268 175.163 174.900 -0.009 0.000 1.039 108 G CA 0.417 45.515 45.100 -0.004 0.000 0.759 108 G HN 0.779 nan 8.290 nan 0.000 0.501 109 S N -1.486 114.202 115.700 -0.020 0.000 2.559 109 S HA 0.494 4.964 4.470 0.000 0.000 0.226 109 S C 1.846 176.428 174.600 -0.030 0.000 1.000 109 S CA 0.996 59.178 58.200 -0.029 0.000 0.948 109 S CB 0.986 64.156 63.200 -0.050 0.000 0.870 109 S HN 2.252 nan 8.310 nan 0.000 0.497 110 G N 2.281 111.066 108.800 -0.025 0.000 2.131 110 G HA2 -0.309 3.651 3.960 0.000 0.000 0.223 110 G HA3 -0.309 3.651 3.960 0.000 0.000 0.223 110 G C 0.632 175.515 174.900 -0.030 0.000 0.990 110 G CA 0.463 45.549 45.100 -0.023 0.000 0.671 110 G HN 0.502 nan 8.290 nan 0.000 0.521 111 K N -0.201 120.177 120.400 -0.037 0.000 2.001 111 K HA -0.140 4.180 4.320 0.000 0.000 0.214 111 K C 2.502 179.084 176.600 -0.031 0.000 1.050 111 K CA 2.260 58.522 56.287 -0.041 0.000 0.934 111 K CB -0.445 32.024 32.500 -0.052 0.000 0.718 111 K HN 0.293 nan 8.250 nan 0.000 0.443 112 T N 0.494 115.033 114.554 -0.026 0.000 2.759 112 T HA -0.121 4.229 4.350 0.000 0.000 0.269 112 T C 1.708 176.397 174.700 -0.018 0.000 1.042 112 T CA 1.916 64.003 62.100 -0.021 0.000 1.140 112 T CB -0.358 68.499 68.868 -0.017 0.000 0.864 112 T HN 0.462 nan 8.240 nan 0.000 0.455 113 T N 1.372 115.915 114.554 -0.018 0.000 2.732 113 T HA -0.082 4.268 4.350 0.000 0.000 0.261 113 T C 2.312 176.998 174.700 -0.024 0.000 1.040 113 T CA 1.454 63.544 62.100 -0.017 0.000 1.145 113 T CB -0.840 68.019 68.868 -0.014 0.000 0.866 113 T HN 0.320 nan 8.240 nan 0.000 0.427 114 T N 2.264 116.799 114.554 -0.032 0.000 2.699 114 T HA -0.136 4.214 4.350 0.000 0.000 0.268 114 T C 2.395 177.066 174.700 -0.049 0.000 1.036 114 T CA 1.362 63.431 62.100 -0.052 0.000 1.147 114 T CB -0.724 68.112 68.868 -0.054 0.000 0.862 114 T HN 0.458 nan 8.240 nan 0.000 0.446 115 A N 1.478 124.283 122.820 -0.025 0.000 1.873 115 A HA -0.036 4.284 4.320 0.000 0.000 0.218 115 A C 2.652 180.232 177.584 -0.007 0.000 1.193 115 A CA 2.297 54.330 52.037 -0.006 0.000 0.629 115 A CB -1.246 17.752 19.000 -0.004 0.000 0.826 115 A HN 0.556 nan 8.150 nan 0.000 0.447 116 A N -0.627 122.186 122.820 -0.011 0.000 1.898 116 A HA -0.128 4.192 4.320 0.000 0.000 0.216 116 A C 2.115 179.696 177.584 -0.005 0.000 1.181 116 A CA 1.757 53.791 52.037 -0.006 0.000 0.620 116 A CB -0.423 18.573 19.000 -0.006 0.000 0.819 116 A HN 0.555 nan 8.150 nan 0.000 0.442 117 K N -0.939 119.450 120.400 -0.018 0.000 2.097 117 K HA -0.077 4.243 4.320 0.000 0.000 0.206 117 K C 1.817 178.401 176.600 -0.027 0.000 1.049 117 K CA 1.145 57.422 56.287 -0.018 0.000 0.933 117 K CB -0.291 32.190 32.500 -0.033 0.000 0.717 117 K HN 0.338 nan 8.250 nan 0.000 0.442 118 L N 0.983 122.162 121.223 -0.072 0.000 2.056 118 L HA -0.101 4.239 4.340 0.000 0.000 0.207 118 L C 2.203 179.115 176.870 0.070 0.000 1.078 118 L CA 1.621 56.401 54.840 -0.101 0.000 0.749 118 L CB -0.692 41.295 42.059 -0.120 0.000 0.901 118 L HN 0.113 nan 8.230 nan 0.000 0.433 119 A N -1.027 121.829 122.820 0.060 0.000 1.933 119 A HA -0.189 4.131 4.320 0.000 0.000 0.218 119 A C 2.202 179.827 177.584 0.068 0.000 1.175 119 A CA 1.792 53.871 52.037 0.071 0.000 0.628 119 A CB -0.855 18.160 19.000 0.025 0.000 0.814 119 A HN 0.433 nan 8.150 nan 0.000 0.444 120 L N -1.596 119.656 121.223 0.048 0.000 2.056 120 L HA -0.094 4.246 4.340 0.000 0.000 0.207 120 L C 2.254 179.148 176.870 0.039 0.000 1.078 120 L CA 2.308 57.170 54.840 0.036 0.000 0.749 120 L CB -0.956 41.121 42.059 0.031 0.000 0.901 120 L HN 0.511 nan 8.230 nan 0.000 0.433 121 Y N -0.544 119.709 120.300 -0.079 0.000 2.070 121 Y HA -0.342 4.208 4.550 0.000 0.000 0.280 121 Y C 2.341 178.169 175.900 -0.119 0.000 1.148 121 Y CA 2.260 60.279 58.100 -0.135 0.000 1.125 121 Y CB -0.897 37.403 38.460 -0.266 0.000 0.975 121 Y HN 0.271 nan 8.280 nan 0.000 0.492 122 Y N 0.555 120.859 120.300 0.006 0.000 2.333 122 Y HA -0.225 4.325 4.550 0.000 0.000 0.290 122 Y C 2.639 178.457 175.900 -0.138 0.000 1.144 122 Y CA 1.542 59.581 58.100 -0.101 0.000 1.228 122 Y CB -0.180 38.279 38.460 -0.002 0.000 0.985 122 Y HN 0.151 nan 8.280 nan 0.000 0.542 123 K N 0.266 120.691 120.400 0.042 0.000 2.217 123 K HA -0.082 4.238 4.320 0.000 0.000 0.202 123 K C 2.068 178.641 176.600 -0.044 0.000 1.051 123 K CA 1.121 57.407 56.287 -0.001 0.000 0.952 123 K CB -0.366 32.134 32.500 -0.001 0.000 0.736 123 K HN 0.326 nan 8.250 nan 0.000 0.453 124 G N 0.617 109.359 108.800 -0.097 0.000 2.848 124 G HA2 -0.093 3.867 3.960 0.000 0.000 0.208 124 G HA3 -0.093 3.867 3.960 0.000 0.000 0.208 124 G C 0.882 175.697 174.900 -0.141 0.000 1.152 124 G CA 0.116 45.147 45.100 -0.116 0.000 0.789 124 G HN 0.193 nan 8.290 nan 0.000 0.531 125 K N -0.217 120.092 120.400 -0.152 0.000 2.537 125 K HA 0.323 4.643 4.320 0.000 0.000 0.206 125 K C 1.337 177.919 176.600 -0.031 0.000 1.041 125 K CA 0.341 56.562 56.287 -0.109 0.000 1.090 125 K CB 1.279 33.681 32.500 -0.164 0.000 0.833 125 K HN 0.262 nan 8.250 nan 0.000 0.493 126 G N 1.525 110.307 108.800 -0.029 0.000 2.784 126 G HA2 -0.235 3.725 3.960 0.000 0.000 0.204 126 G HA3 -0.235 3.725 3.960 0.000 0.000 0.204 126 G C 0.091 174.980 174.900 -0.020 0.000 1.300 126 G CA -0.687 44.402 45.100 -0.018 0.000 0.863 126 G HN 0.153 nan 8.290 nan 0.000 0.541 127 R N 1.169 121.659 120.500 -0.018 0.000 2.777 127 R HA 0.166 4.506 4.340 0.000 0.000 0.268 127 R C 0.327 176.601 176.300 -0.044 0.000 0.979 127 R CA 0.597 56.668 56.100 -0.048 0.000 1.117 127 R CB -0.157 30.094 30.300 -0.082 0.000 0.985 127 R HN 0.635 nan 8.270 nan 0.000 0.442 128 R N 1.769 122.232 120.500 -0.063 0.000 2.363 128 R HA 0.309 4.649 4.340 0.000 0.000 0.297 128 R C -2.328 173.930 176.300 -0.069 0.000 1.208 128 R CA -1.785 54.284 56.100 -0.052 0.000 1.121 128 R CB 1.458 31.732 30.300 -0.044 0.000 1.124 128 R HN 0.338 nan 8.270 nan 0.000 0.561 129 P HA 0.144 nan 4.420 nan 0.000 0.277 129 P C -1.075 176.191 177.300 -0.057 0.000 1.240 129 P CA -0.624 62.429 63.100 -0.079 0.000 0.798 129 P CB 0.796 32.465 31.700 -0.051 0.000 0.979 130 L N 2.767 123.953 121.223 -0.062 0.000 2.441 130 L HA 0.425 4.765 4.340 0.000 0.000 0.270 130 L C -1.484 175.366 176.870 -0.034 0.000 0.973 130 L CA -0.376 54.440 54.840 -0.040 0.000 0.842 130 L CB 0.890 42.926 42.059 -0.038 0.000 1.239 130 L HN 0.170 nan 8.230 nan 0.000 0.406 131 L N 5.222 126.431 121.223 -0.022 0.000 2.375 131 L HA 0.647 4.987 4.340 0.000 0.000 0.271 131 L C -0.646 176.215 176.870 -0.014 0.000 1.107 131 L CA -0.713 54.118 54.840 -0.016 0.000 0.806 131 L CB 1.715 43.767 42.059 -0.012 0.000 1.146 131 L HN 0.391 nan 8.230 nan 0.000 0.447 132 V N 2.333 122.238 119.914 -0.015 0.000 2.483 132 V HA 0.459 4.579 4.120 0.000 0.000 0.297 132 V C 0.012 176.085 176.094 -0.035 0.000 1.027 132 V CA -0.693 61.595 62.300 -0.020 0.000 0.855 132 V CB 1.695 33.510 31.823 -0.013 0.000 0.995 132 V HN 0.815 nan 8.190 nan 0.000 0.424 133 A N 3.775 126.576 122.820 -0.031 0.000 2.506 133 A HA 0.694 5.014 4.320 0.000 0.000 0.320 133 A C 0.918 178.477 177.584 -0.041 0.000 1.424 133 A CA 0.192 52.208 52.037 -0.036 0.000 1.044 133 A CB 0.474 19.459 19.000 -0.024 0.000 1.140 133 A HN 1.298 nan 8.150 nan 0.000 0.538 134 A N 2.417 125.197 122.820 -0.066 0.000 2.476 134 A HA 0.249 4.569 4.320 0.000 0.000 0.263 134 A C 0.404 177.955 177.584 -0.054 0.000 1.342 134 A CA -0.074 51.921 52.037 -0.069 0.000 0.926 134 A CB -0.206 18.720 19.000 -0.123 0.000 1.019 134 A HN 0.654 nan 8.150 nan 0.000 0.515 135 D N 1.117 121.493 120.400 -0.039 0.000 2.411 135 D HA 0.121 4.761 4.640 0.000 0.000 0.225 135 D C 1.308 177.599 176.300 -0.015 0.000 1.156 135 D CA 0.531 54.516 54.000 -0.025 0.000 0.874 135 D CB 0.946 41.734 40.800 -0.020 0.000 1.034 135 D HN 0.289 nan 8.370 nan 0.000 0.502 136 T N 0.535 115.083 114.554 -0.011 0.000 3.160 136 T HA -0.046 4.304 4.350 0.000 0.000 0.257 136 T C 1.342 176.040 174.700 -0.002 0.000 1.147 136 T CA 0.749 62.846 62.100 -0.005 0.000 1.064 136 T CB 0.246 69.114 68.868 -0.001 0.000 0.949 136 T HN 0.356 nan 8.240 nan 0.000 0.526 137 Q N 0.099 119.898 119.800 -0.002 0.000 2.423 137 Q HA 0.270 4.610 4.340 0.000 0.000 0.231 137 Q C 0.775 176.774 176.000 -0.001 0.000 0.894 137 Q CA 0.099 55.902 55.803 -0.000 0.000 0.938 137 Q CB 0.667 29.406 28.738 0.001 0.000 1.079 137 Q HN 0.327 nan 8.270 nan 0.000 0.552 138 R N 1.121 121.619 120.500 -0.002 0.000 2.346 138 R HA 0.183 4.523 4.340 0.000 0.000 0.309 138 R C -2.128 174.170 176.300 -0.004 0.000 1.119 138 R CA -1.644 54.455 56.100 -0.002 0.000 1.112 138 R CB 0.988 31.287 30.300 -0.002 0.000 1.132 138 R HN 0.030 nan 8.270 nan 0.000 0.538 139 P HA -0.170 nan 4.420 nan 0.000 0.218 139 P C 0.998 178.295 177.300 -0.004 0.000 1.148 139 P CA 1.021 64.119 63.100 -0.004 0.000 0.822 139 P CB 0.354 32.052 31.700 -0.002 0.000 0.784 140 A N -0.029 122.790 122.820 -0.003 0.000 1.933 140 A HA -0.118 4.202 4.320 0.000 0.000 0.218 140 A C 2.289 179.871 177.584 -0.004 0.000 1.175 140 A CA 2.018 54.053 52.037 -0.003 0.000 0.628 140 A CB -1.520 17.479 19.000 -0.001 0.000 0.814 140 A HN 0.207 nan 8.150 nan 0.000 0.444 141 A N -0.051 122.766 122.820 -0.005 0.000 1.873 141 A HA -0.135 4.185 4.320 0.000 0.000 0.215 141 A C 2.232 179.811 177.584 -0.010 0.000 1.186 141 A CA 1.369 53.402 52.037 -0.007 0.000 0.616 141 A CB -0.469 18.526 19.000 -0.008 0.000 0.823 141 A HN 0.539 nan 8.150 nan 0.000 0.442 142 R N -0.579 119.915 120.500 -0.010 0.000 2.105 142 R HA -0.165 4.175 4.340 0.000 0.000 0.239 142 R C 2.193 178.488 176.300 -0.009 0.000 1.135 142 R CA 1.504 57.597 56.100 -0.012 0.000 0.967 142 R CB -0.329 29.964 30.300 -0.011 0.000 0.861 142 R HN 0.764 nan 8.270 nan 0.000 0.442 143 E N 0.454 120.650 120.200 -0.007 0.000 2.153 143 E HA -0.195 4.155 4.350 0.000 0.000 0.194 143 E C 1.864 178.460 176.600 -0.006 0.000 0.988 143 E CA 0.870 57.266 56.400 -0.006 0.000 0.811 143 E CB 0.254 29.952 29.700 -0.004 0.000 0.746 143 E HN 0.211 nan 8.360 nan 0.000 0.466 144 Q N 0.158 119.954 119.800 -0.006 0.000 2.084 144 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 144 Q C 2.215 178.211 176.000 -0.007 0.000 0.978 144 Q CA 0.828 56.627 55.803 -0.006 0.000 0.844 144 Q CB -0.428 28.306 28.738 -0.006 0.000 0.898 144 Q HN 0.299 nan 8.270 nan 0.000 0.426 145 L N 0.939 122.156 121.223 -0.009 0.000 2.156 145 L HA -0.054 4.286 4.340 0.000 0.000 0.208 145 L C 2.399 179.264 176.870 -0.009 0.000 1.095 145 L CA 1.485 56.319 54.840 -0.010 0.000 0.770 145 L CB -0.461 41.590 42.059 -0.014 0.000 0.914 145 L HN 0.089 nan 8.230 nan 0.000 0.439 146 R N -0.384 120.111 120.500 -0.008 0.000 2.083 146 R HA -0.163 4.177 4.340 0.000 0.000 0.237 146 R C 2.119 178.416 176.300 -0.005 0.000 1.137 146 R CA 2.083 58.179 56.100 -0.007 0.000 0.951 146 R CB -0.399 29.898 30.300 -0.006 0.000 0.851 146 R HN 0.455 nan 8.270 nan 0.000 0.434 147 L N 0.594 121.814 121.223 -0.005 0.000 2.217 147 L HA -0.104 4.236 4.340 0.000 0.000 0.211 147 L C 2.449 179.317 176.870 -0.003 0.000 1.107 147 L CA 0.633 55.471 54.840 -0.003 0.000 0.783 147 L CB -0.356 41.702 42.059 -0.003 0.000 0.919 147 L HN 0.238 nan 8.230 nan 0.000 0.442 148 L N 0.011 121.232 121.223 -0.004 0.000 2.141 148 L HA -0.070 4.270 4.340 0.000 0.000 0.209 148 L C 2.660 179.528 176.870 -0.003 0.000 1.094 148 L CA 1.191 56.029 54.840 -0.003 0.000 0.763 148 L CB -0.866 41.190 42.059 -0.005 0.000 0.908 148 L HN 0.292 nan 8.230 nan 0.000 0.437 149 G N -0.648 108.150 108.800 -0.004 0.000 2.408 149 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 149 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 149 G C 1.424 176.322 174.900 -0.004 0.000 1.150 149 G CA 0.279 45.377 45.100 -0.004 0.000 0.776 149 G HN 0.367 nan 8.290 nan 0.000 0.542 150 E N 0.067 120.265 120.200 -0.003 0.000 2.106 150 E HA -0.096 4.254 4.350 0.000 0.000 0.192 150 E C 2.313 178.912 176.600 -0.002 0.000 0.984 150 E CA 0.784 57.182 56.400 -0.003 0.000 0.806 150 E CB -0.052 29.647 29.700 -0.003 0.000 0.750 150 E HN 0.425 nan 8.360 nan 0.000 0.458 151 K N 1.093 121.492 120.400 -0.001 0.000 2.001 151 K HA -0.128 4.192 4.320 0.000 0.000 0.208 151 K C 2.195 178.796 176.600 0.001 0.000 1.048 151 K CA 1.609 57.896 56.287 0.000 0.000 0.932 151 K CB -0.011 32.489 32.500 0.001 0.000 0.715 151 K HN 0.120 nan 8.250 nan 0.000 0.437 152 V N -1.905 118.010 119.914 0.002 0.000 3.141 152 V HA 0.166 4.286 4.120 0.000 0.000 0.265 152 V C 0.856 176.951 176.094 0.001 0.000 1.126 152 V CA 0.793 63.095 62.300 0.003 0.000 1.141 152 V CB -0.884 30.942 31.823 0.005 0.000 0.743 152 V HN 0.487 nan 8.190 nan 0.000 0.492 153 G N -0.216 108.583 108.800 -0.001 0.000 2.326 153 G HA2 -0.124 3.836 3.960 0.000 0.000 0.286 153 G HA3 -0.124 3.836 3.960 0.000 0.000 0.286 153 G C -0.364 174.533 174.900 -0.005 0.000 1.096 153 G CA 0.132 45.230 45.100 -0.003 0.000 1.003 153 G HN 1.063 nan 8.290 nan 0.000 0.503 154 V N 1.574 121.484 119.914 -0.006 0.000 2.760 154 V HA 0.660 4.780 4.120 0.000 0.000 0.309 154 V C -1.583 174.505 176.094 -0.010 0.000 1.077 154 V CA -1.328 60.967 62.300 -0.008 0.000 0.910 154 V CB 2.595 34.413 31.823 -0.007 0.000 1.008 154 V HN 0.322 nan 8.190 nan 0.000 0.424 155 P HA 0.322 nan 4.420 nan 0.000 0.271 155 P C -1.193 176.100 177.300 -0.012 0.000 1.244 155 P CA -0.037 63.056 63.100 -0.012 0.000 0.793 155 P CB 1.300 32.992 31.700 -0.013 0.000 0.984 156 V N 1.158 121.066 119.914 -0.010 0.000 2.777 156 V HA 0.258 4.378 4.120 0.000 0.000 0.306 156 V C -0.385 175.704 176.094 -0.009 0.000 1.112 156 V CA -0.671 61.622 62.300 -0.010 0.000 0.917 156 V CB 1.924 33.741 31.823 -0.010 0.000 1.018 156 V HN 0.412 nan 8.190 nan 0.000 0.426 157 L N 4.012 125.229 121.223 -0.009 0.000 2.298 157 L HA 0.606 4.946 4.340 0.000 0.000 0.284 157 L C 0.000 176.865 176.870 -0.008 0.000 1.013 157 L CA 0.301 55.137 54.840 -0.007 0.000 0.824 157 L CB 1.282 43.339 42.059 -0.004 0.000 1.221 157 L HN 0.698 nan 8.230 nan 0.000 0.418 158 E N 4.114 124.309 120.200 -0.007 0.000 2.227 158 E HA 0.395 4.745 4.350 0.000 0.000 0.282 158 E C -0.196 176.400 176.600 -0.007 0.000 1.015 158 E CA -0.692 55.703 56.400 -0.009 0.000 0.823 158 E CB 1.826 31.522 29.700 -0.007 0.000 1.081 158 E HN 0.596 nan 8.360 nan 0.000 0.396 159 V N 0.612 120.521 119.914 -0.009 0.000 3.546 159 V HA 0.348 4.468 4.120 0.000 0.000 0.296 159 V C 0.242 176.334 176.094 -0.003 0.000 1.082 159 V CA -0.598 61.699 62.300 -0.005 0.000 1.086 159 V CB 0.437 32.257 31.823 -0.006 0.000 1.174 159 V HN 0.607 nan 8.190 nan 0.000 0.464 160 M N 0.298 119.898 119.600 -0.001 0.000 2.598 160 M HA 0.429 4.909 4.480 0.000 0.000 0.317 160 M C -0.874 175.426 176.300 0.000 0.000 1.179 160 M CA -0.791 54.509 55.300 -0.000 0.000 0.936 160 M CB 1.622 34.223 32.600 0.002 0.000 1.713 160 M HN 0.668 nan 8.290 nan 0.000 0.460 161 D N 2.022 122.422 120.400 0.000 0.000 2.570 161 D HA 0.113 4.753 4.640 0.000 0.000 0.243 161 D C 1.129 177.430 176.300 0.002 0.000 1.171 161 D CA 1.403 55.403 54.000 0.001 0.000 0.879 161 D CB 0.269 41.070 40.800 0.001 0.000 1.143 161 D HN 0.940 nan 8.370 nan 0.000 0.511 162 G N 2.739 111.540 108.800 0.003 0.000 2.153 162 G HA2 -0.342 3.618 3.960 0.000 0.000 0.252 162 G HA3 -0.342 3.618 3.960 0.000 0.000 0.252 162 G C 0.344 175.248 174.900 0.006 0.000 0.994 162 G CA 0.292 45.394 45.100 0.005 0.000 0.698 162 G HN 0.610 nan 8.290 nan 0.000 0.521 163 E N 1.090 121.294 120.200 0.006 0.000 2.384 163 E HA 0.427 4.777 4.350 0.000 0.000 0.266 163 E C 1.208 177.816 176.600 0.013 0.000 1.012 163 E CA 0.284 56.689 56.400 0.009 0.000 0.901 163 E CB 0.323 30.028 29.700 0.008 0.000 0.967 163 E HN 0.539 nan 8.360 nan 0.000 0.435 164 S N 4.495 120.204 115.700 0.015 0.000 2.585 164 S HA 0.149 4.619 4.470 0.000 0.000 0.273 164 S C -1.609 173.007 174.600 0.026 0.000 1.339 164 S CA -1.178 57.033 58.200 0.019 0.000 1.028 164 S CB 1.257 64.467 63.200 0.017 0.000 0.906 164 S HN 0.484 nan 8.310 nan 0.000 0.528 165 P HA -0.133 nan 4.420 nan 0.000 0.216 165 P C 0.622 177.948 177.300 0.045 0.000 1.150 165 P CA 1.330 64.458 63.100 0.047 0.000 0.837 165 P CB 0.009 31.743 31.700 0.056 0.000 0.786 166 E N -0.304 119.917 120.200 0.034 0.000 2.358 166 E HA -0.051 4.299 4.350 0.000 0.000 0.195 166 E C 2.256 178.872 176.600 0.026 0.000 1.010 166 E CA 0.684 57.102 56.400 0.030 0.000 0.856 166 E CB -0.769 28.944 29.700 0.023 0.000 0.795 166 E HN 0.203 nan 8.360 nan 0.000 0.504 167 S N -0.061 115.653 115.700 0.024 0.000 2.377 167 S HA -0.019 4.451 4.470 0.000 0.000 0.223 167 S C 1.813 176.427 174.600 0.023 0.000 1.030 167 S CA 0.539 58.751 58.200 0.020 0.000 0.970 167 S CB -0.099 63.111 63.200 0.016 0.000 0.830 167 S HN 0.202 nan 8.310 nan 0.000 0.473 168 I N 1.835 122.423 120.570 0.029 0.000 2.226 168 I HA -0.168 4.002 4.170 0.000 0.000 0.245 168 I C 2.729 178.871 176.117 0.040 0.000 1.100 168 I CA 1.467 62.786 61.300 0.032 0.000 1.374 168 I CB -0.546 37.477 38.000 0.039 0.000 1.057 168 I HN 0.356 nan 8.210 nan 0.000 0.413 169 R N 1.628 122.157 120.500 0.048 0.000 2.112 169 R HA -0.271 4.069 4.340 0.000 0.000 0.242 169 R C 2.502 178.822 176.300 0.034 0.000 1.137 169 R CA 2.109 58.238 56.100 0.049 0.000 0.944 169 R CB -0.419 29.907 30.300 0.044 0.000 0.857 169 R HN 0.257 nan 8.270 nan 0.000 0.435 170 R N 0.055 120.571 120.500 0.026 0.000 2.075 170 R HA -0.094 4.246 4.340 0.000 0.000 0.230 170 R C 2.491 178.800 176.300 0.016 0.000 1.140 170 R CA 1.600 57.711 56.100 0.018 0.000 0.928 170 R CB -0.245 30.064 30.300 0.015 0.000 0.834 170 R HN 0.252 nan 8.270 nan 0.000 0.429 171 R N 0.156 120.665 120.500 0.016 0.000 2.119 171 R HA -0.163 4.177 4.340 0.000 0.000 0.246 171 R C 2.246 178.554 176.300 0.012 0.000 1.146 171 R CA 1.821 57.928 56.100 0.012 0.000 0.962 171 R CB -0.699 29.608 30.300 0.011 0.000 0.863 171 R HN 0.226 nan 8.270 nan 0.000 0.442 172 V N 1.081 121.006 119.914 0.018 0.000 2.255 172 V HA -0.172 3.948 4.120 0.000 0.000 0.243 172 V C 1.944 178.047 176.094 0.014 0.000 1.038 172 V CA 1.661 63.973 62.300 0.019 0.000 1.008 172 V CB -0.477 31.367 31.823 0.035 0.000 0.645 172 V HN 0.340 nan 8.190 nan 0.000 0.449 173 E N -0.266 119.945 120.200 0.018 0.000 2.515 173 E HA -0.196 4.154 4.350 0.000 0.000 0.201 173 E C 1.944 178.547 176.600 0.005 0.000 1.071 173 E CA 0.661 57.068 56.400 0.012 0.000 0.880 173 E CB 0.101 29.811 29.700 0.016 0.000 0.828 173 E HN 0.716 nan 8.360 nan 0.000 0.540 174 E N 1.343 121.546 120.200 0.005 0.000 2.162 174 E HA -0.077 4.273 4.350 0.000 0.000 0.193 174 E C 2.009 178.608 176.600 -0.002 0.000 0.953 174 E CA 0.204 56.605 56.400 0.002 0.000 0.849 174 E CB 0.232 29.933 29.700 0.003 0.000 0.810 174 E HN -0.028 nan 8.360 nan 0.000 0.470 175 K N 0.344 120.743 120.400 -0.001 0.000 2.211 175 K HA -0.026 4.294 4.320 0.000 0.000 0.203 175 K C 1.832 178.427 176.600 -0.009 0.000 1.050 175 K CA 1.033 57.317 56.287 -0.005 0.000 0.945 175 K CB -0.021 32.476 32.500 -0.004 0.000 0.732 175 K HN 0.125 nan 8.250 nan 0.000 0.451 176 A N 1.120 123.934 122.820 -0.010 0.000 1.968 176 A HA -0.090 4.230 4.320 0.000 0.000 0.217 176 A C 2.102 179.676 177.584 -0.017 0.000 1.169 176 A CA 1.028 53.055 52.037 -0.017 0.000 0.638 176 A CB -0.376 18.614 19.000 -0.017 0.000 0.812 176 A HN 0.326 nan 8.150 nan 0.000 0.446 177 R N -0.229 120.264 120.500 -0.012 0.000 2.056 177 R HA 0.024 4.364 4.340 0.000 0.000 0.227 177 R C 2.017 178.310 176.300 -0.011 0.000 1.149 177 R CA 1.357 57.451 56.100 -0.011 0.000 0.937 177 R CB -0.433 29.863 30.300 -0.007 0.000 0.835 177 R HN 0.486 nan 8.270 nan 0.000 0.430 178 L N 0.529 121.747 121.223 -0.009 0.000 2.042 178 L HA -0.180 4.160 4.340 0.000 0.000 0.210 178 L C 1.969 178.833 176.870 -0.010 0.000 1.076 178 L CA 1.585 56.420 54.840 -0.008 0.000 0.749 178 L CB -0.413 41.642 42.059 -0.006 0.000 0.893 178 L HN 0.331 nan 8.230 nan 0.000 0.432 179 E N -0.223 119.969 120.200 -0.012 0.000 2.478 179 E HA 0.172 4.522 4.350 0.000 0.000 0.194 179 E C 0.657 177.246 176.600 -0.019 0.000 1.045 179 E CA 0.429 56.820 56.400 -0.015 0.000 0.868 179 E CB 0.279 29.970 29.700 -0.015 0.000 0.885 179 E HN 0.414 nan 8.360 nan 0.000 0.505 180 A N 2.301 125.109 122.820 -0.020 0.000 2.429 180 A HA -0.176 4.144 4.320 0.000 0.000 0.290 180 A C -0.503 177.060 177.584 -0.033 0.000 1.439 180 A CA 0.452 52.474 52.037 -0.025 0.000 0.731 180 A CB -1.139 17.848 19.000 -0.022 0.000 1.138 180 A HN 0.086 nan 8.150 nan 0.000 0.384 181 R N 0.692 121.168 120.500 -0.039 0.000 2.295 181 R HA 0.408 4.748 4.340 0.000 0.000 0.324 181 R C 0.226 176.482 176.300 -0.072 0.000 0.968 181 R CA -0.120 55.947 56.100 -0.054 0.000 0.837 181 R CB 1.234 31.504 30.300 -0.050 0.000 1.133 181 R HN 0.653 nan 8.270 nan 0.000 0.450 182 D N 1.228 121.572 120.400 -0.093 0.000 2.349 182 D HA 0.030 4.670 4.640 0.000 0.000 0.214 182 D C 0.130 176.314 176.300 -0.193 0.000 1.063 182 D CA -0.060 53.870 54.000 -0.117 0.000 0.847 182 D CB 0.323 41.062 40.800 -0.102 0.000 0.933 182 D HN 0.120 nan 8.370 nan 0.000 0.513 183 L N 1.008 122.095 121.223 -0.226 0.000 2.441 183 L HA 0.450 4.790 4.340 0.000 0.000 0.270 183 L C -1.587 175.119 176.870 -0.274 0.000 0.973 183 L CA -0.879 53.737 54.840 -0.372 0.000 0.842 183 L CB 1.667 43.433 42.059 -0.489 0.000 1.239 183 L HN -0.060 nan 8.230 nan 0.000 0.406 184 I N 6.311 126.730 120.570 -0.252 0.000 2.354 184 I HA 0.335 4.505 4.170 0.000 0.000 0.286 184 I C -0.666 175.404 176.117 -0.078 0.000 1.007 184 I CA -0.523 60.706 61.300 -0.118 0.000 1.167 184 I CB 1.269 39.247 38.000 -0.037 0.000 1.320 184 I HN 0.415 nan 8.210 nan 0.000 0.458 185 L N 7.364 128.560 121.223 -0.045 0.000 2.272 185 L HA 0.387 4.727 4.340 0.000 0.000 0.284 185 L C -0.355 176.543 176.870 0.046 0.000 1.045 185 L CA -0.704 54.159 54.840 0.038 0.000 0.842 185 L CB 1.095 43.166 42.059 0.020 0.000 1.224 185 L HN 0.329 nan 8.230 nan 0.000 0.430 186 V N 1.756 121.718 119.914 0.080 0.000 2.353 186 V HA 0.074 4.194 4.120 0.000 0.000 0.264 186 V C 0.042 176.066 176.094 -0.118 0.000 1.049 186 V CA -0.454 61.824 62.300 -0.037 0.000 0.896 186 V CB 1.339 33.098 31.823 -0.106 0.000 1.025 186 V HN 0.626 nan 8.190 nan 0.000 0.475 187 D N 4.581 124.923 120.400 -0.097 0.000 2.393 187 D HA 0.256 4.896 4.640 0.000 0.000 0.232 187 D C 0.861 177.074 176.300 -0.145 0.000 1.192 187 D CA -0.164 53.780 54.000 -0.094 0.000 0.882 187 D CB 0.800 41.569 40.800 -0.051 0.000 1.038 187 D HN 0.712 nan 8.370 nan 0.000 0.499 188 T N 0.909 115.341 114.554 -0.204 0.000 2.726 188 T HA 0.487 4.837 4.350 0.000 0.000 0.294 188 T C 0.731 175.381 174.700 -0.084 0.000 1.013 188 T CA -0.701 61.278 62.100 -0.201 0.000 0.996 188 T CB 0.884 69.618 68.868 -0.223 0.000 1.016 188 T HN 0.420 nan 8.240 nan 0.000 0.529 189 A N -0.023 122.769 122.820 -0.047 0.000 2.425 189 A HA 0.591 4.911 4.320 0.000 0.000 0.242 189 A C 0.698 178.296 177.584 0.024 0.000 1.077 189 A CA -0.139 51.893 52.037 -0.009 0.000 0.781 189 A CB -0.531 18.471 19.000 0.002 0.000 1.020 189 A HN 1.387 nan 8.150 nan 0.000 0.494 190 G N 1.438 110.252 108.800 0.023 0.000 2.643 190 G HA2 0.592 4.552 3.960 0.000 0.000 0.305 190 G HA3 0.592 4.552 3.960 0.000 0.000 0.305 190 G C -0.479 174.445 174.900 0.040 0.000 1.387 190 G CA -0.625 44.500 45.100 0.042 0.000 0.982 190 G HN 0.632 nan 8.290 nan 0.000 0.501 191 R N 1.337 121.872 120.500 0.059 0.000 3.018 191 R HA 0.485 4.825 4.340 0.000 0.000 0.243 191 R C 0.648 176.975 176.300 0.045 0.000 1.315 191 R CA -0.999 55.126 56.100 0.042 0.000 1.039 191 R CB 0.916 31.237 30.300 0.035 0.000 1.315 191 R HN 0.405 nan 8.270 nan 0.000 0.492 192 L N 0.838 122.080 121.223 0.033 0.000 2.592 192 L HA 0.127 4.467 4.340 0.000 0.000 0.227 192 L C -0.146 176.744 176.870 0.033 0.000 1.127 192 L CA 0.412 55.271 54.840 0.031 0.000 0.884 192 L CB -0.074 41.997 42.059 0.021 0.000 1.065 192 L HN 0.374 nan 8.230 nan 0.000 0.457 193 Q N -0.746 119.075 119.800 0.034 0.000 2.893 193 Q HA 0.524 4.864 4.340 0.000 0.000 0.331 193 Q C -1.039 174.972 176.000 0.019 0.000 0.893 193 Q CA -0.716 55.101 55.803 0.025 0.000 0.783 193 Q CB 1.830 30.574 28.738 0.010 0.000 1.440 193 Q HN -0.162 nan 8.270 nan 0.000 0.508 194 I N 2.305 122.868 120.570 -0.013 0.000 2.354 194 I HA 0.376 4.546 4.170 0.000 0.000 0.286 194 I C -1.225 174.856 176.117 -0.060 0.000 1.007 194 I CA -0.662 60.600 61.300 -0.062 0.000 1.167 194 I CB 0.432 38.371 38.000 -0.101 0.000 1.320 194 I HN 0.639 nan 8.210 nan 0.000 0.458 195 D N 4.294 124.660 120.400 -0.056 0.000 2.362 195 D HA 0.313 4.953 4.640 0.000 0.000 0.247 195 D C 0.825 177.092 176.300 -0.055 0.000 1.050 195 D CA -0.633 53.342 54.000 -0.043 0.000 0.839 195 D CB 1.877 42.664 40.800 -0.022 0.000 1.283 195 D HN 0.284 nan 8.370 nan 0.000 0.477 196 E N 1.933 122.104 120.200 -0.048 0.000 2.038 196 E HA -0.133 4.217 4.350 0.000 0.000 0.195 196 E C -0.727 175.851 176.600 -0.036 0.000 1.000 196 E CA 1.556 57.928 56.400 -0.048 0.000 0.803 196 E CB -0.996 28.682 29.700 -0.036 0.000 0.750 196 E HN 0.421 nan 8.360 nan 0.000 0.448 197 P HA -0.198 nan 4.420 nan 0.000 0.215 197 P C 1.440 178.733 177.300 -0.013 0.000 1.163 197 P CA 1.339 64.430 63.100 -0.014 0.000 0.894 197 P CB -0.052 31.642 31.700 -0.009 0.000 0.791 198 L N -1.756 119.458 121.223 -0.015 0.000 2.141 198 L HA -0.054 4.286 4.340 0.000 0.000 0.209 198 L C 2.837 179.699 176.870 -0.014 0.000 1.094 198 L CA 1.534 56.369 54.840 -0.008 0.000 0.763 198 L CB -1.051 41.007 42.059 -0.001 0.000 0.908 198 L HN -0.121 nan 8.230 nan 0.000 0.437 199 M N -1.175 118.395 119.600 -0.051 0.000 2.296 199 M HA -0.022 4.458 4.480 0.000 0.000 0.265 199 M C 2.255 178.534 176.300 -0.036 0.000 1.064 199 M CA 1.404 56.654 55.300 -0.083 0.000 1.109 199 M CB -1.599 30.904 32.600 -0.162 0.000 1.396 199 M HN 0.330 nan 8.290 nan 0.000 0.430 200 G N 0.187 108.972 108.800 -0.024 0.000 2.394 200 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 200 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 200 G C 1.450 176.360 174.900 0.016 0.000 1.165 200 G CA 0.335 45.431 45.100 -0.006 0.000 0.784 200 G HN 0.505 nan 8.290 nan 0.000 0.535 201 E N -0.131 120.080 120.200 0.019 0.000 2.110 201 E HA -0.110 4.240 4.350 0.000 0.000 0.193 201 E C 2.359 178.996 176.600 0.062 0.000 0.988 201 E CA 0.728 57.148 56.400 0.034 0.000 0.804 201 E CB -0.154 29.561 29.700 0.024 0.000 0.745 201 E HN 0.359 nan 8.360 nan 0.000 0.458 202 L N 0.914 122.178 121.223 0.069 0.000 2.141 202 L HA -0.039 4.301 4.340 0.000 0.000 0.209 202 L C 2.169 179.139 176.870 0.166 0.000 1.094 202 L CA 1.670 56.586 54.840 0.128 0.000 0.763 202 L CB -0.464 41.672 42.059 0.128 0.000 0.908 202 L HN 0.008 nan 8.230 nan 0.000 0.437 203 A N -0.260 122.617 122.820 0.096 0.000 1.873 203 A HA -0.227 4.093 4.320 0.000 0.000 0.215 203 A C 2.458 180.088 177.584 0.077 0.000 1.186 203 A CA 1.663 53.747 52.037 0.078 0.000 0.616 203 A CB -0.592 18.428 19.000 0.034 0.000 0.823 203 A HN 0.447 nan 8.150 nan 0.000 0.442 204 R N -0.505 120.036 120.500 0.068 0.000 2.081 204 R HA -0.094 4.246 4.340 0.000 0.000 0.235 204 R C 1.905 178.262 176.300 0.094 0.000 1.131 204 R CA 1.638 57.775 56.100 0.061 0.000 0.960 204 R CB -0.816 29.512 30.300 0.047 0.000 0.856 204 R HN 0.425 nan 8.270 nan 0.000 0.436 205 L N 1.070 122.381 121.223 0.146 0.000 2.042 205 L HA -0.153 4.187 4.340 0.000 0.000 0.210 205 L C 2.205 179.234 176.870 0.265 0.000 1.076 205 L CA 2.031 57.007 54.840 0.226 0.000 0.749 205 L CB -0.545 41.678 42.059 0.273 0.000 0.893 205 L HN 0.246 nan 8.230 nan 0.000 0.432 206 K N -0.501 120.028 120.400 0.214 0.000 2.057 206 K HA -0.262 4.058 4.320 0.000 0.000 0.207 206 K C 2.115 178.671 176.600 -0.075 0.000 1.049 206 K CA 1.732 57.962 56.287 -0.096 0.000 0.931 206 K CB -0.214 32.222 32.500 -0.107 0.000 0.714 206 K HN 0.493 nan 8.250 nan 0.000 0.440 207 E N 0.049 120.247 120.200 -0.003 0.000 2.065 207 E HA -0.227 4.123 4.350 0.000 0.000 0.201 207 E C 1.834 178.432 176.600 -0.003 0.000 1.016 207 E CA 2.097 58.493 56.400 -0.006 0.000 0.818 207 E CB 0.059 29.767 29.700 0.013 0.000 0.749 207 E HN 0.172 nan 8.360 nan 0.000 0.453 208 V N 0.877 120.806 119.914 0.025 0.000 2.239 208 V HA -0.243 3.877 4.120 0.000 0.000 0.242 208 V C 2.416 178.529 176.094 0.031 0.000 1.038 208 V CA 1.671 63.992 62.300 0.035 0.000 1.002 208 V CB -0.534 31.324 31.823 0.059 0.000 0.641 208 V HN 0.342 nan 8.190 nan 0.000 0.449 209 L N 0.702 121.960 121.223 0.059 0.000 2.265 209 L HA 0.103 4.443 4.340 0.000 0.000 0.215 209 L C 1.524 178.381 176.870 -0.021 0.000 1.117 209 L CA 0.946 55.821 54.840 0.059 0.000 0.782 209 L CB -1.215 40.958 42.059 0.191 0.000 0.914 209 L HN 0.658 nan 8.230 nan 0.000 0.441 210 G N 1.287 110.033 108.800 -0.091 0.000 2.374 210 G HA2 -0.192 3.768 3.960 0.000 0.000 0.289 210 G HA3 -0.192 3.768 3.960 0.000 0.000 0.289 210 G C -2.373 172.448 174.900 -0.132 0.000 1.004 210 G CA -0.739 44.298 45.100 -0.105 0.000 1.292 210 G HN 0.203 nan 8.290 nan 0.000 0.502 211 P HA 0.231 nan 4.420 nan 0.000 0.271 211 P C 0.588 177.844 177.300 -0.073 0.000 1.218 211 P CA -0.385 62.580 63.100 -0.226 0.000 0.780 211 P CB 0.844 32.177 31.700 -0.611 0.000 0.901 212 D N 0.715 121.157 120.400 0.070 0.000 2.271 212 D HA 0.012 4.652 4.640 0.000 0.000 0.206 212 D C 0.335 176.645 176.300 0.017 0.000 0.967 212 D CA 1.239 55.289 54.000 0.084 0.000 0.867 212 D CB 0.598 41.511 40.800 0.187 0.000 0.960 212 D HN 0.457 nan 8.370 nan 0.000 0.509 213 E N -0.166 120.026 120.200 -0.014 0.000 2.408 213 E HA 0.430 4.780 4.350 0.000 0.000 0.275 213 E C -1.060 175.505 176.600 -0.058 0.000 0.935 213 E CA -0.760 55.525 56.400 -0.191 0.000 0.775 213 E CB 3.405 32.662 29.700 -0.738 0.000 1.277 213 E HN -0.309 nan 8.360 nan 0.000 0.455 214 V N 2.459 122.354 119.914 -0.032 0.000 2.501 214 V HA 0.234 4.354 4.120 0.000 0.000 0.277 214 V C -0.425 175.699 176.094 0.050 0.000 1.004 214 V CA -0.494 61.856 62.300 0.084 0.000 0.862 214 V CB 0.981 32.851 31.823 0.079 0.000 1.035 214 V HN 0.454 nan 8.190 nan 0.000 0.448 215 L N 5.162 126.429 121.223 0.072 0.000 2.315 215 L HA 0.410 4.750 4.340 0.000 0.000 0.283 215 L C -0.211 176.655 176.870 -0.005 0.000 1.089 215 L CA -0.423 54.446 54.840 0.047 0.000 0.833 215 L CB 1.162 43.286 42.059 0.108 0.000 1.170 215 L HN 0.411 nan 8.230 nan 0.000 0.442 216 L N 5.804 126.986 121.223 -0.067 0.000 2.292 216 L HA 0.416 4.756 4.340 0.000 0.000 0.284 216 L C -0.268 176.517 176.870 -0.142 0.000 1.065 216 L CA -0.058 54.684 54.840 -0.164 0.000 0.806 216 L CB 1.562 43.512 42.059 -0.182 0.000 1.175 216 L HN 0.219 nan 8.230 nan 0.000 0.431 217 V N 6.722 126.532 119.914 -0.174 0.000 2.394 217 V HA 0.500 4.620 4.120 0.000 0.000 0.282 217 V C 0.061 176.073 176.094 -0.137 0.000 1.031 217 V CA -0.570 61.658 62.300 -0.120 0.000 0.881 217 V CB 1.246 33.013 31.823 -0.093 0.000 0.982 217 V HN 0.637 nan 8.190 nan 0.000 0.451 218 L N 3.219 124.382 121.223 -0.101 0.000 2.386 218 L HA 0.555 4.895 4.340 0.000 0.000 0.271 218 L C -0.757 176.077 176.870 -0.060 0.000 0.993 218 L CA -0.683 54.105 54.840 -0.086 0.000 0.819 218 L CB 2.356 44.364 42.059 -0.085 0.000 1.294 218 L HN 0.556 nan 8.230 nan 0.000 0.414 219 D N 1.724 122.097 120.400 -0.044 0.000 2.339 219 D HA 0.325 4.965 4.640 0.000 0.000 0.241 219 D C 0.822 177.108 176.300 -0.024 0.000 1.183 219 D CA -0.073 53.910 54.000 -0.027 0.000 0.859 219 D CB 1.992 42.782 40.800 -0.017 0.000 1.067 219 D HN 0.600 nan 8.370 nan 0.000 0.484 220 A N 4.799 127.608 122.820 -0.019 0.000 1.978 220 A HA -0.194 4.126 4.320 0.000 0.000 0.220 220 A C 2.132 179.714 177.584 -0.003 0.000 1.170 220 A CA 1.087 53.116 52.037 -0.014 0.000 0.636 220 A CB -0.511 18.498 19.000 0.015 0.000 0.810 220 A HN 0.758 nan 8.150 nan 0.000 0.448 221 M N 0.276 119.881 119.600 0.008 0.000 2.435 221 M HA -0.120 4.360 4.480 0.000 0.000 0.262 221 M C 1.692 177.992 176.300 0.001 0.000 1.065 221 M CA 1.654 56.962 55.300 0.012 0.000 1.076 221 M CB -0.600 32.009 32.600 0.015 0.000 1.403 221 M HN 0.673 nan 8.290 nan 0.000 0.454 222 T N -2.686 111.864 114.554 -0.007 0.000 3.188 222 T HA 0.387 4.737 4.350 0.000 0.000 0.250 222 T C 1.216 175.907 174.700 -0.017 0.000 1.077 222 T CA 0.096 62.191 62.100 -0.008 0.000 0.967 222 T CB -0.471 68.393 68.868 -0.006 0.000 1.006 222 T HN 0.552 nan 8.240 nan 0.000 0.552 223 G N 2.373 111.157 108.800 -0.026 0.000 2.652 223 G HA2 -0.392 3.568 3.960 0.000 0.000 0.318 223 G HA3 -0.392 3.568 3.960 0.000 0.000 0.318 223 G C 0.892 175.766 174.900 -0.043 0.000 1.295 223 G CA 0.628 45.703 45.100 -0.042 0.000 0.999 223 G HN 0.400 nan 8.290 nan 0.000 0.548 224 Q N 0.023 119.799 119.800 -0.039 0.000 2.181 224 Q HA -0.104 4.236 4.340 0.000 0.000 0.205 224 Q C 2.479 178.464 176.000 -0.025 0.000 0.980 224 Q CA 1.935 57.717 55.803 -0.035 0.000 0.862 224 Q CB -0.503 28.216 28.738 -0.032 0.000 0.905 224 Q HN 0.857 nan 8.270 nan 0.000 0.429 225 E N 0.279 120.469 120.200 -0.017 0.000 2.187 225 E HA -0.240 4.110 4.350 0.000 0.000 0.199 225 E C 1.743 178.340 176.600 -0.004 0.000 1.004 225 E CA 1.125 57.520 56.400 -0.008 0.000 0.813 225 E CB 0.033 29.732 29.700 -0.002 0.000 0.736 225 E HN 0.370 nan 8.360 nan 0.000 0.468 226 A N 0.596 123.407 122.820 -0.015 0.000 1.902 226 A HA -0.142 4.178 4.320 0.000 0.000 0.217 226 A C 2.127 179.702 177.584 -0.015 0.000 1.181 226 A CA 1.015 53.041 52.037 -0.019 0.000 0.623 226 A CB -0.511 18.466 19.000 -0.037 0.000 0.818 226 A HN 0.294 nan 8.150 nan 0.000 0.443 227 L N -0.395 120.815 121.223 -0.022 0.000 2.275 227 L HA -0.109 4.231 4.340 0.000 0.000 0.215 227 L C 2.560 179.427 176.870 -0.005 0.000 1.119 227 L CA 1.158 55.987 54.840 -0.019 0.000 0.790 227 L CB -0.276 41.768 42.059 -0.024 0.000 0.919 227 L HN 0.321 nan 8.230 nan 0.000 0.443 228 S N -0.837 114.863 115.700 -0.001 0.000 2.425 228 S HA -0.069 4.401 4.470 0.000 0.000 0.225 228 S C 2.010 176.630 174.600 0.034 0.000 1.024 228 S CA 0.527 58.730 58.200 0.004 0.000 0.951 228 S CB 0.158 63.354 63.200 -0.007 0.000 0.796 228 S HN 0.132 nan 8.310 nan 0.000 0.498 229 V N 2.169 122.118 119.914 0.058 0.000 2.358 229 V HA -0.152 3.968 4.120 0.000 0.000 0.246 229 V C 2.661 178.871 176.094 0.194 0.000 1.047 229 V CA 1.662 64.049 62.300 0.144 0.000 1.035 229 V CB -1.121 30.779 31.823 0.128 0.000 0.658 229 V HN 0.519 nan 8.190 nan 0.000 0.452 230 A N 0.091 122.965 122.820 0.090 0.000 1.940 230 A HA -0.285 4.035 4.320 0.000 0.000 0.219 230 A C 2.398 180.034 177.584 0.088 0.000 1.176 230 A CA 2.208 54.289 52.037 0.074 0.000 0.631 230 A CB -0.587 18.414 19.000 0.002 0.000 0.814 230 A HN 0.511 nan 8.150 nan 0.000 0.446 231 R N -0.447 120.083 120.500 0.050 0.000 2.075 231 R HA -0.069 4.271 4.340 0.000 0.000 0.232 231 R C 2.291 178.608 176.300 0.029 0.000 1.126 231 R CA 1.407 57.520 56.100 0.023 0.000 0.963 231 R CB -0.413 29.885 30.300 -0.003 0.000 0.858 231 R HN 0.429 nan 8.270 nan 0.000 0.435 232 A N 0.261 123.105 122.820 0.040 0.000 1.877 232 A HA -0.149 4.171 4.320 0.000 0.000 0.216 232 A C 1.944 179.489 177.584 -0.065 0.000 1.186 232 A CA 1.276 53.293 52.037 -0.033 0.000 0.620 232 A CB -0.699 18.263 19.000 -0.063 0.000 0.822 232 A HN 0.387 nan 8.150 nan 0.000 0.443 233 F N -0.175 119.767 119.950 -0.014 0.000 2.163 233 F HA -0.087 4.440 4.527 0.000 0.000 0.297 233 F C 2.165 177.962 175.800 -0.006 0.000 1.094 233 F CA 1.684 59.682 58.000 -0.003 0.000 1.290 233 F CB -0.346 38.656 39.000 0.002 0.000 1.017 233 F HN 0.305 nan 8.300 nan 0.000 0.483 234 D N 0.098 120.590 120.400 0.153 0.000 2.117 234 D HA -0.198 4.442 4.640 0.000 0.000 0.198 234 D C 2.055 178.373 176.300 0.030 0.000 0.982 234 D CA 1.265 55.308 54.000 0.072 0.000 0.828 234 D CB -0.151 40.667 40.800 0.031 0.000 0.967 234 D HN 0.304 nan 8.370 nan 0.000 0.464 235 E N -0.539 119.667 120.200 0.010 0.000 2.118 235 E HA -0.179 4.171 4.350 0.000 0.000 0.195 235 E C 1.424 178.007 176.600 -0.027 0.000 0.992 235 E CA 1.101 57.491 56.400 -0.017 0.000 0.804 235 E CB 0.173 29.855 29.700 -0.030 0.000 0.741 235 E HN 0.233 nan 8.360 nan 0.000 0.458 236 K N -1.471 118.905 120.400 -0.040 0.000 2.380 236 K HA 0.128 4.448 4.320 0.000 0.000 0.198 236 K C 1.093 177.683 176.600 -0.017 0.000 1.070 236 K CA 0.006 56.261 56.287 -0.052 0.000 1.040 236 K CB 1.492 33.924 32.500 -0.115 0.000 0.903 236 K HN -0.051 nan 8.250 nan 0.000 0.549 237 V N -0.638 119.293 119.914 0.028 0.000 3.449 237 V HA 0.325 4.445 4.120 0.000 0.000 0.208 237 V C 0.146 176.277 176.094 0.061 0.000 1.269 237 V CA 0.402 62.745 62.300 0.073 0.000 1.301 237 V CB 1.383 33.309 31.823 0.171 0.000 1.306 237 V HN 0.281 nan 8.190 nan 0.000 0.531 238 G N 0.844 109.692 108.800 0.081 0.000 2.594 238 G HA2 0.084 4.044 3.960 0.000 0.000 0.422 238 G HA3 0.084 4.044 3.960 0.000 0.000 0.422 238 G C -1.043 173.888 174.900 0.051 0.000 1.190 238 G CA -0.337 44.789 45.100 0.043 0.000 1.234 238 G HN 0.266 nan 8.290 nan 0.000 0.584 239 V N 1.747 121.691 119.914 0.049 0.000 2.644 239 V HA 0.737 4.857 4.120 0.000 0.000 0.295 239 V C 1.546 177.629 176.094 -0.018 0.000 1.053 239 V CA 0.651 62.967 62.300 0.026 0.000 0.987 239 V CB 1.685 33.520 31.823 0.019 0.000 1.006 239 V HN 1.205 nan 8.190 nan 0.000 0.472 240 T N -0.759 113.774 114.554 -0.036 0.000 3.004 240 T HA 0.479 4.829 4.350 0.000 0.000 0.266 240 T C 0.455 175.080 174.700 -0.125 0.000 0.986 240 T CA 0.420 62.488 62.100 -0.054 0.000 0.902 240 T CB 0.510 69.361 68.868 -0.029 0.000 1.118 240 T HN 1.071 nan 8.240 nan 0.000 0.522 241 G N 0.548 109.247 108.800 -0.168 0.000 2.608 241 G HA2 0.629 4.589 3.960 0.000 0.000 0.291 241 G HA3 0.629 4.589 3.960 0.000 0.000 0.291 241 G C -2.166 172.583 174.900 -0.252 0.000 1.425 241 G CA -1.010 43.848 45.100 -0.403 0.000 0.787 241 G HN 0.323 nan 8.290 nan 0.000 0.484 242 L N -0.594 120.451 121.223 -0.297 0.000 2.333 242 L HA 0.823 5.163 4.340 0.000 0.000 0.263 242 L C -0.761 176.060 176.870 -0.081 0.000 1.014 242 L CA -1.296 53.447 54.840 -0.162 0.000 0.820 242 L CB 2.456 44.410 42.059 -0.176 0.000 1.352 242 L HN 0.317 nan 8.230 nan 0.000 0.421 243 V N 2.759 122.647 119.914 -0.044 0.000 2.569 243 V HA 0.410 4.530 4.120 0.000 0.000 0.301 243 V C -0.476 175.584 176.094 -0.056 0.000 1.044 243 V CA -0.330 61.978 62.300 0.012 0.000 0.874 243 V CB 2.117 33.975 31.823 0.059 0.000 1.002 243 V HN 0.472 nan 8.190 nan 0.000 0.424 244 L N 5.381 126.549 121.223 -0.091 0.000 2.276 244 L HA 0.587 4.927 4.340 0.000 0.000 0.286 244 L C 0.695 177.532 176.870 -0.055 0.000 1.024 244 L CA -0.220 54.559 54.840 -0.102 0.000 0.826 244 L CB 1.734 43.686 42.059 -0.179 0.000 1.211 244 L HN 0.800 nan 8.230 nan 0.000 0.422 245 T N -1.045 113.487 114.554 -0.036 0.000 2.912 245 T HA 0.362 4.712 4.350 0.000 0.000 0.280 245 T C 0.342 175.041 174.700 -0.002 0.000 0.989 245 T CA -0.896 61.196 62.100 -0.015 0.000 0.995 245 T CB 1.050 69.908 68.868 -0.017 0.000 1.077 245 T HN 0.571 nan 8.240 nan 0.000 0.531 246 K N -0.086 120.319 120.400 0.008 0.000 3.177 246 K HA -0.166 4.154 4.320 0.000 0.000 0.266 246 K C 0.462 177.082 176.600 0.034 0.000 0.937 246 K CA 0.151 56.449 56.287 0.018 0.000 0.702 246 K CB -1.377 31.131 32.500 0.014 0.000 1.365 246 K HN 0.423 nan 8.250 nan 0.000 0.466 247 L N 1.472 122.719 121.223 0.040 0.000 2.240 247 L HA -0.086 4.254 4.340 0.000 0.000 0.211 247 L C 2.043 178.962 176.870 0.081 0.000 1.106 247 L CA 2.020 56.907 54.840 0.079 0.000 0.793 247 L CB -0.157 41.939 42.059 0.062 0.000 0.927 247 L HN 0.428 nan 8.230 nan 0.000 0.446 248 D N -2.038 118.386 120.400 0.040 0.000 2.392 248 D HA -0.093 4.547 4.640 0.000 0.000 0.228 248 D C 1.460 177.784 176.300 0.039 0.000 1.003 248 D CA 0.969 54.981 54.000 0.021 0.000 0.917 248 D CB 0.037 40.845 40.800 0.013 0.000 0.890 248 D HN 0.420 nan 8.370 nan 0.000 0.532 249 G N 0.174 109.009 108.800 0.058 0.000 3.192 249 G HA2 -0.029 3.931 3.960 0.000 0.000 0.239 249 G HA3 -0.029 3.931 3.960 0.000 0.000 0.239 249 G C -0.020 174.928 174.900 0.080 0.000 1.084 249 G CA -0.282 44.852 45.100 0.057 0.000 0.784 249 G HN 0.108 nan 8.290 nan 0.000 0.540 250 D N 0.733 121.211 120.400 0.131 0.000 2.264 250 D HA 0.535 5.175 4.640 0.000 0.000 0.250 250 D C 1.044 177.473 176.300 0.216 0.000 1.113 250 D CA -0.230 53.858 54.000 0.147 0.000 0.871 250 D CB 1.817 42.719 40.800 0.170 0.000 1.167 250 D HN -0.022 nan 8.370 nan 0.000 0.447 251 A N 4.147 127.046 122.820 0.132 0.000 2.220 251 A HA 0.121 4.441 4.320 0.000 0.000 0.211 251 A C 1.852 179.508 177.584 0.120 0.000 1.176 251 A CA 0.276 52.398 52.037 0.140 0.000 0.834 251 A CB 0.209 19.256 19.000 0.077 0.000 0.868 251 A HN 0.473 nan 8.150 nan 0.000 0.488 252 R N -1.413 119.095 120.500 0.014 0.000 2.072 252 R HA 0.342 4.682 4.340 0.000 0.000 0.214 252 R C 1.590 177.657 176.300 -0.389 0.000 1.168 252 R CA 1.363 57.400 56.100 -0.106 0.000 1.020 252 R CB -0.261 29.966 30.300 -0.121 0.000 0.914 252 R HN 0.695 nan 8.270 nan 0.000 0.449 253 G N -1.228 107.127 108.800 -0.741 0.000 2.175 253 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 253 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 253 G C 1.065 175.513 174.900 -0.753 0.000 0.982 253 G CA 0.455 44.556 45.100 -1.664 0.000 0.641 253 G HN 0.527 nan 8.290 nan 0.000 0.527 254 G N 0.836 109.385 108.800 -0.419 0.000 2.476 254 G HA2 0.122 4.082 3.960 0.000 0.000 0.218 254 G HA3 0.122 4.082 3.960 0.000 0.000 0.218 254 G C 2.002 176.784 174.900 -0.197 0.000 1.164 254 G CA 2.885 47.835 45.100 -0.251 0.000 0.768 254 G HN 1.639 nan 8.290 nan 0.000 0.560 255 A N 1.112 123.819 122.820 -0.188 0.000 1.873 255 A HA 0.306 4.626 4.320 0.000 0.000 0.215 255 A C 2.864 180.373 177.584 -0.126 0.000 1.186 255 A CA 2.340 54.300 52.037 -0.128 0.000 0.616 255 A CB -0.937 18.000 19.000 -0.106 0.000 0.823 255 A HN 0.851 nan 8.150 nan 0.000 0.442 256 A N -0.221 122.498 122.820 -0.168 0.000 1.865 256 A HA -0.114 4.206 4.320 0.000 0.000 0.217 256 A C 2.164 179.713 177.584 -0.058 0.000 1.191 256 A CA 1.639 53.609 52.037 -0.111 0.000 0.623 256 A CB -0.794 18.178 19.000 -0.046 0.000 0.826 256 A HN 0.468 nan 8.150 nan 0.000 0.444 257 L N 0.043 121.212 121.223 -0.090 0.000 2.187 257 L HA -0.174 4.166 4.340 0.000 0.000 0.213 257 L C 2.037 178.911 176.870 0.007 0.000 1.100 257 L CA 1.543 56.375 54.840 -0.014 0.000 0.765 257 L CB -0.118 41.900 42.059 -0.068 0.000 0.904 257 L HN 0.398 nan 8.230 nan 0.000 0.437 258 S N -1.244 114.443 115.700 -0.021 0.000 2.540 258 S HA 0.237 4.707 4.470 0.000 0.000 0.218 258 S C 1.927 176.546 174.600 0.032 0.000 0.977 258 S CA 0.302 58.514 58.200 0.020 0.000 0.918 258 S CB 0.513 63.716 63.200 0.004 0.000 0.806 258 S HN 0.372 nan 8.310 nan 0.000 0.496 259 A N 2.711 125.527 122.820 -0.007 0.000 1.908 259 A HA -0.154 4.166 4.320 0.000 0.000 0.218 259 A C 2.173 179.746 177.584 -0.017 0.000 1.181 259 A CA 1.796 53.816 52.037 -0.029 0.000 0.627 259 A CB -0.490 18.470 19.000 -0.067 0.000 0.818 259 A HN 0.342 nan 8.150 nan 0.000 0.445 260 R N -0.794 119.713 120.500 0.011 0.000 2.070 260 R HA -0.165 4.175 4.340 0.000 0.000 0.233 260 R C 2.147 178.460 176.300 0.023 0.000 1.137 260 R CA 2.341 58.449 56.100 0.013 0.000 0.945 260 R CB -0.920 29.406 30.300 0.043 0.000 0.845 260 R HN 0.778 nan 8.270 nan 0.000 0.430 261 H N -0.665 118.396 119.070 -0.013 0.000 2.299 261 H HA -0.033 4.523 4.556 0.000 0.000 0.302 261 H C 1.764 177.080 175.328 -0.020 0.000 1.078 261 H CA 2.362 58.402 56.048 -0.012 0.000 1.323 261 H CB -0.241 29.519 29.762 -0.004 0.000 1.381 261 H HN 0.038 nan 8.280 nan 0.000 0.498 262 V N 0.198 120.100 119.914 -0.020 0.000 2.255 262 V HA -0.290 3.830 4.120 0.000 0.000 0.247 262 V C 2.700 178.724 176.094 -0.117 0.000 1.051 262 V CA 2.459 64.717 62.300 -0.070 0.000 1.018 262 V CB -1.114 30.723 31.823 0.022 0.000 0.641 262 V HN 0.837 nan 8.190 nan 0.000 0.445 263 T N -3.121 111.382 114.554 -0.084 0.000 2.939 263 T HA 0.304 4.654 4.350 0.000 0.000 0.254 263 T C 1.727 176.371 174.700 -0.093 0.000 1.041 263 T CA 1.528 63.581 62.100 -0.079 0.000 1.142 263 T CB 0.560 69.388 68.868 -0.066 0.000 0.874 263 T HN 1.067 nan 8.240 nan 0.000 0.452 264 G N 1.534 110.276 108.800 -0.097 0.000 2.234 264 G HA2 -0.182 3.778 3.960 0.000 0.000 0.235 264 G HA3 -0.182 3.778 3.960 0.000 0.000 0.235 264 G C 0.098 174.948 174.900 -0.084 0.000 0.997 264 G CA 0.055 45.100 45.100 -0.091 0.000 0.623 264 G HN 0.685 nan 8.290 nan 0.000 0.514 265 K N 1.785 122.126 120.400 -0.098 0.000 2.118 265 K HA 0.519 4.839 4.320 0.000 0.000 0.264 265 K C -2.215 174.282 176.600 -0.173 0.000 1.000 265 K CA -1.687 54.518 56.287 -0.137 0.000 0.929 265 K CB 1.771 34.185 32.500 -0.143 0.000 1.021 265 K HN 0.295 nan 8.250 nan 0.000 0.463 266 P HA 0.368 nan 4.420 nan 0.000 0.278 266 P C -0.389 176.687 177.300 -0.373 0.000 1.266 266 P CA -0.536 62.403 63.100 -0.269 0.000 0.807 266 P CB 0.834 32.371 31.700 -0.272 0.000 1.094 267 I N 1.451 121.906 120.570 -0.192 0.000 2.328 267 I HA 0.222 4.392 4.170 0.000 0.000 0.287 267 I C 1.083 177.174 176.117 -0.043 0.000 1.012 267 I CA -0.538 60.664 61.300 -0.163 0.000 1.195 267 I CB 0.697 38.611 38.000 -0.144 0.000 1.350 267 I HN 0.402 nan 8.210 nan 0.000 0.464 268 Y N 4.850 125.091 120.300 -0.098 0.000 2.177 268 Y HA 0.119 4.669 4.550 0.000 0.000 0.291 268 Y C 0.483 176.029 175.900 -0.591 0.000 1.117 268 Y CA 0.329 58.217 58.100 -0.353 0.000 1.114 268 Y CB 0.305 38.560 38.460 -0.341 0.000 1.017 268 Y HN 0.309 nan 8.280 nan 0.000 0.505 269 F N -0.816 119.200 119.950 0.109 0.000 2.561 269 F HA 0.718 5.245 4.527 0.000 0.000 0.321 269 F C -0.227 175.554 175.800 -0.032 0.000 1.065 269 F CA -1.430 56.574 58.000 0.007 0.000 0.934 269 F CB 1.697 40.666 39.000 -0.052 0.000 1.215 269 F HN -0.237 nan 8.300 nan 0.000 0.471 270 A N 0.395 123.311 122.820 0.161 0.000 2.520 270 A HA 0.752 5.072 4.320 0.000 0.000 0.298 270 A C -0.757 176.871 177.584 0.072 0.000 1.051 270 A CA -0.609 51.448 52.037 0.034 0.000 0.690 270 A CB 1.300 20.259 19.000 -0.068 0.000 1.281 270 A HN 1.043 nan 8.150 nan 0.000 0.402 271 G N 0.196 109.017 108.800 0.034 0.000 2.329 271 G HA2 0.493 4.453 3.960 0.000 0.000 0.309 271 G HA3 0.493 4.453 3.960 0.000 0.000 0.309 271 G C 0.116 175.040 174.900 0.041 0.000 1.110 271 G CA -0.221 44.903 45.100 0.039 0.000 0.923 271 G HN 0.876 nan 8.290 nan 0.000 0.430 272 V N 1.667 121.612 119.914 0.052 0.000 3.644 272 V HA 0.183 4.303 4.120 0.000 0.000 0.267 272 V C 1.136 177.248 176.094 0.031 0.000 1.277 272 V CA 1.009 63.335 62.300 0.043 0.000 1.096 272 V CB -0.539 31.318 31.823 0.057 0.000 0.828 272 V HN 0.824 nan 8.190 nan 0.000 0.446 273 S N -1.054 114.665 115.700 0.032 0.000 2.705 273 S HA 0.498 4.968 4.470 0.000 0.000 0.280 273 S C -0.220 174.393 174.600 0.022 0.000 1.174 273 S CA -0.684 57.531 58.200 0.025 0.000 0.823 273 S CB 1.804 65.020 63.200 0.027 0.000 1.162 273 S HN 0.036 nan 8.310 nan 0.000 0.487 274 E N 0.241 120.452 120.200 0.018 0.000 2.474 274 E HA 0.262 4.612 4.350 0.000 0.000 0.195 274 E C -0.249 176.360 176.600 0.015 0.000 1.039 274 E CA 0.047 56.456 56.400 0.015 0.000 0.881 274 E CB -0.070 29.637 29.700 0.012 0.000 0.970 274 E HN 0.460 nan 8.360 nan 0.000 0.486 275 K N 1.929 122.341 120.400 0.020 0.000 2.138 275 K HA 0.096 4.416 4.320 0.000 0.000 0.251 275 K C -1.385 175.229 176.600 0.024 0.000 1.015 275 K CA -1.540 54.760 56.287 0.022 0.000 0.917 275 K CB 0.870 33.386 32.500 0.026 0.000 1.021 275 K HN -0.162 nan 8.250 nan 0.000 0.485 276 P HA -0.175 nan 4.420 nan 0.000 0.215 276 P C -0.052 177.272 177.300 0.040 0.000 1.157 276 P CA 1.596 64.713 63.100 0.027 0.000 0.863 276 P CB 0.143 31.859 31.700 0.027 0.000 0.787 277 E N -0.332 119.897 120.200 0.048 0.000 2.526 277 E HA 0.068 4.418 4.350 0.000 0.000 0.198 277 E C 2.002 178.639 176.600 0.062 0.000 1.091 277 E CA 0.372 56.812 56.400 0.067 0.000 0.880 277 E CB -0.737 29.002 29.700 0.064 0.000 0.873 277 E HN 0.339 nan 8.360 nan 0.000 0.527 278 G N 0.929 109.757 108.800 0.046 0.000 2.511 278 G HA2 -0.086 3.874 3.960 0.000 0.000 0.217 278 G HA3 -0.086 3.874 3.960 0.000 0.000 0.217 278 G C 0.483 175.411 174.900 0.046 0.000 1.133 278 G CA -0.155 44.971 45.100 0.043 0.000 0.792 278 G HN 0.167 nan 8.290 nan 0.000 0.539 279 L N 1.952 123.197 121.223 0.036 0.000 2.259 279 L HA 0.431 4.771 4.340 0.000 0.000 0.288 279 L C 0.092 176.987 176.870 0.040 0.000 1.051 279 L CA -0.786 54.072 54.840 0.030 0.000 0.824 279 L CB 0.672 42.719 42.059 -0.021 0.000 1.206 279 L HN 0.389 nan 8.230 nan 0.000 0.429 280 E N 4.957 125.206 120.200 0.080 0.000 2.299 280 E HA 0.659 5.009 4.350 0.000 0.000 0.260 280 E C -2.796 173.827 176.600 0.038 0.000 0.944 280 E CA -2.732 53.708 56.400 0.067 0.000 0.815 280 E CB 1.056 30.835 29.700 0.132 0.000 1.252 280 E HN 0.251 nan 8.360 nan 0.000 0.418 281 P HA 0.036 nan 4.420 nan 0.000 0.271 281 P C -1.129 175.922 177.300 -0.415 0.000 1.216 281 P CA -0.178 62.657 63.100 -0.440 0.000 0.776 281 P CB 0.155 31.498 31.700 -0.596 0.000 0.881 282 F N 4.274 123.951 119.950 -0.455 0.000 2.472 282 F HA 0.236 4.763 4.527 0.000 0.000 0.364 282 F C -0.665 174.931 175.800 -0.339 0.000 1.090 282 F CA -0.327 57.507 58.000 -0.276 0.000 1.188 282 F CB -0.295 38.618 39.000 -0.145 0.000 1.105 282 F HN 0.264 nan 8.300 nan 0.000 0.536 283 Y N 8.345 128.300 120.300 -0.574 0.000 2.402 283 Y HA 0.301 4.851 4.550 0.000 0.000 0.332 283 Y C -1.714 173.684 175.900 -0.837 0.000 0.960 283 Y CA -1.973 55.793 58.100 -0.556 0.000 1.228 283 Y CB 1.014 39.325 38.460 -0.249 0.000 1.120 283 Y HN 0.492 nan 8.280 nan 0.000 0.491 284 P HA -0.186 nan 4.420 nan 0.000 0.215 284 P C 0.956 178.105 177.300 -0.252 0.000 1.157 284 P CA 1.686 64.468 63.100 -0.531 0.000 0.868 284 P CB 0.434 31.957 31.700 -0.294 0.000 0.788 285 E N -0.672 119.420 120.200 -0.180 0.000 2.136 285 E HA -0.255 4.095 4.350 0.000 0.000 0.208 285 E C 2.157 178.739 176.600 -0.030 0.000 1.035 285 E CA 1.401 57.731 56.400 -0.117 0.000 0.838 285 E CB -0.518 29.159 29.700 -0.039 0.000 0.748 285 E HN 0.085 nan 8.360 nan 0.000 0.459 286 R N -0.066 120.412 120.500 -0.036 0.000 2.075 286 R HA -0.037 4.303 4.340 0.000 0.000 0.232 286 R C 2.367 178.685 176.300 0.030 0.000 1.126 286 R CA 0.743 56.845 56.100 0.003 0.000 0.963 286 R CB -0.827 29.473 30.300 -0.000 0.000 0.858 286 R HN 0.237 nan 8.270 nan 0.000 0.435 287 L N 0.803 122.034 121.223 0.013 0.000 2.056 287 L HA 0.001 4.341 4.340 0.000 0.000 0.207 287 L C 2.135 179.048 176.870 0.072 0.000 1.078 287 L CA 1.973 56.855 54.840 0.070 0.000 0.749 287 L CB -0.850 41.342 42.059 0.222 0.000 0.901 287 L HN 0.127 nan 8.230 nan 0.000 0.433 288 A N -0.334 122.516 122.820 0.049 0.000 1.883 288 A HA -0.123 4.197 4.320 0.000 0.000 0.217 288 A C 2.353 180.072 177.584 0.225 0.000 1.186 288 A CA 1.770 53.843 52.037 0.060 0.000 0.624 288 A CB -1.654 17.202 19.000 -0.240 0.000 0.822 288 A HN 0.533 nan 8.150 nan 0.000 0.444 289 G N -0.589 108.398 108.800 0.311 0.000 2.421 289 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 289 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 289 G C 1.736 176.717 174.900 0.135 0.000 1.171 289 G CA 0.886 46.173 45.100 0.311 0.000 0.775 289 G HN 0.597 nan 8.290 nan 0.000 0.543 290 R N -0.092 120.455 120.500 0.079 0.000 2.120 290 R HA 0.083 4.423 4.340 0.000 0.000 0.234 290 R C 2.460 178.769 176.300 0.016 0.000 1.123 290 R CA 0.879 56.991 56.100 0.021 0.000 0.975 290 R CB -0.359 29.927 30.300 -0.023 0.000 0.866 290 R HN 0.377 nan 8.270 nan 0.000 0.446 291 I N 0.765 121.363 120.570 0.045 0.000 2.614 291 I HA -0.198 3.972 4.170 0.000 0.000 0.258 291 I C 1.583 177.756 176.117 0.094 0.000 1.189 291 I CA 1.102 62.443 61.300 0.068 0.000 1.462 291 I CB 0.036 38.124 38.000 0.147 0.000 1.092 291 I HN 0.162 nan 8.210 nan 0.000 0.442 292 L N -0.219 121.070 121.223 0.110 0.000 2.640 292 L HA 0.312 4.652 4.340 0.000 0.000 0.230 292 L C 1.414 178.314 176.870 0.051 0.000 1.123 292 L CA 0.470 55.368 54.840 0.096 0.000 0.900 292 L CB 0.229 42.367 42.059 0.132 0.000 1.146 292 L HN 0.410 nan 8.230 nan 0.000 0.484 293 G N 0.167 108.990 108.800 0.037 0.000 2.179 293 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 293 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 293 G C 0.263 175.164 174.900 0.002 0.000 0.990 293 G CA -0.404 44.705 45.100 0.015 0.000 0.646 293 G HN 0.226 nan 8.290 nan 0.000 0.517 294 M N 1.350 120.952 119.600 0.002 0.000 2.435 294 M HA 0.482 4.962 4.480 0.000 0.000 0.344 294 M C 1.234 177.530 176.300 -0.007 0.000 1.329 294 M CA 0.973 56.263 55.300 -0.016 0.000 1.320 294 M CB 0.715 33.287 32.600 -0.046 0.000 1.309 294 M HN 1.159 nan 8.290 nan 0.000 0.451 295 G N 1.559 110.353 108.800 -0.010 0.000 2.248 295 G HA2 -0.213 3.747 3.960 0.000 0.000 0.252 295 G HA3 -0.213 3.747 3.960 0.000 0.000 0.252 295 G C -0.589 174.307 174.900 -0.006 0.000 1.085 295 G CA -0.112 44.983 45.100 -0.009 0.000 0.845 295 G HN 0.658 nan 8.290 nan 0.000 0.494 296 D N -0.778 119.618 120.400 -0.007 0.000 2.340 296 D HA 0.666 5.306 4.640 0.000 0.000 0.251 296 D C 0.522 176.816 176.300 -0.010 0.000 1.080 296 D CA -0.189 53.803 54.000 -0.013 0.000 0.971 296 D CB 1.637 42.428 40.800 -0.016 0.000 1.137 296 D HN 0.476 nan 8.370 nan 0.000 0.475 297 V N 0.645 120.551 119.914 -0.013 0.000 2.823 297 V HA 0.748 4.868 4.120 0.000 0.000 0.312 297 V C 0.284 176.373 176.094 -0.008 0.000 1.072 297 V CA -1.235 61.061 62.300 -0.007 0.000 0.937 297 V CB 1.180 33.001 31.823 -0.004 0.000 1.013 297 V HN 0.808 nan 8.190 nan 0.000 0.430 298 A N 2.522 125.340 122.820 -0.003 0.000 2.425 298 A HA 0.629 4.949 4.320 0.000 0.000 0.242 298 A C 0.661 178.245 177.584 0.001 0.000 1.077 298 A CA 0.382 52.419 52.037 -0.001 0.000 0.781 298 A CB 0.247 19.249 19.000 0.002 0.000 1.020 298 A HN 1.363 nan 8.150 nan 0.000 0.494 299 S N 1.105 116.807 115.700 0.003 0.000 2.713 299 S HA 0.493 4.963 4.470 0.000 0.000 0.283 299 S C 1.024 175.629 174.600 0.008 0.000 1.161 299 S CA -0.468 57.735 58.200 0.006 0.000 0.999 299 S CB 0.544 63.749 63.200 0.009 0.000 1.039 299 S HN 0.590 nan 8.310 nan 0.000 0.548 300 L N 0.884 122.113 121.223 0.010 0.000 2.042 300 L HA -0.067 4.273 4.340 0.000 0.000 0.210 300 L C 3.064 179.941 176.870 0.011 0.000 1.076 300 L CA 1.643 56.489 54.840 0.010 0.000 0.749 300 L CB -1.530 40.536 42.059 0.011 0.000 0.893 300 L HN 0.878 nan 8.230 nan 0.000 0.432 301 A N 0.710 123.538 122.820 0.013 0.000 1.851 301 A HA -0.255 4.065 4.320 0.000 0.000 0.216 301 A C 2.197 179.789 177.584 0.013 0.000 1.195 301 A CA 2.055 54.101 52.037 0.014 0.000 0.622 301 A CB -0.686 18.325 19.000 0.018 0.000 0.831 301 A HN 0.480 nan 8.150 nan 0.000 0.444 302 E N -0.519 119.689 120.200 0.013 0.000 2.086 302 E HA -0.266 4.084 4.350 0.000 0.000 0.200 302 E C 2.091 178.697 176.600 0.010 0.000 1.012 302 E CA 1.791 58.198 56.400 0.012 0.000 0.812 302 E CB -0.168 29.538 29.700 0.010 0.000 0.743 302 E HN 0.475 nan 8.360 nan 0.000 0.453 303 K N 0.050 120.455 120.400 0.009 0.000 2.103 303 K HA -0.131 4.189 4.320 0.000 0.000 0.207 303 K C 1.856 178.460 176.600 0.008 0.000 1.048 303 K CA 1.001 57.292 56.287 0.007 0.000 0.930 303 K CB -0.052 32.452 32.500 0.007 0.000 0.716 303 K HN 0.015 nan 8.250 nan 0.000 0.444 304 V N 0.014 119.933 119.914 0.009 0.000 3.052 304 V HA -0.016 4.104 4.120 0.000 0.000 0.254 304 V C 1.872 177.972 176.094 0.009 0.000 1.100 304 V CA 1.061 63.366 62.300 0.009 0.000 1.112 304 V CB -0.305 31.524 31.823 0.009 0.000 0.738 304 V HN 0.195 nan 8.190 nan 0.000 0.469 305 R N 0.469 120.975 120.500 0.010 0.000 2.161 305 R HA 0.176 4.516 4.340 0.000 0.000 0.213 305 R C 2.186 178.491 176.300 0.009 0.000 1.055 305 R CA 1.078 57.184 56.100 0.010 0.000 0.996 305 R CB -0.166 30.141 30.300 0.012 0.000 0.901 305 R HN 0.498 nan 8.270 nan 0.000 0.456 306 A N 0.597 123.423 122.820 0.009 0.000 2.147 306 A HA 0.361 4.681 4.320 0.000 0.000 0.211 306 A C 0.912 178.500 177.584 0.007 0.000 1.160 306 A CA 0.582 52.624 52.037 0.008 0.000 0.781 306 A CB 0.254 19.258 19.000 0.007 0.000 0.842 306 A HN 0.280 nan 8.150 nan 0.000 0.475 320 L N 1.128 122.387 121.223 0.061 0.000 2.687 320 L HA 0.715 5.055 4.340 0.000 0.000 0.252 320 L C -0.664 176.341 176.870 0.226 0.000 1.115 320 L CA -0.050 54.875 54.840 0.142 0.000 0.893 320 L CB 1.628 43.786 42.059 0.166 0.000 1.670 320 L HN 0.641 nan 8.230 nan 0.000 0.531 321 S N -0.817 115.061 115.700 0.296 0.000 2.543 321 S HA 0.261 4.731 4.470 0.000 0.000 0.273 321 S C 0.237 174.839 174.600 0.003 0.000 1.152 321 S CA -0.616 57.691 58.200 0.178 0.000 0.910 321 S CB 0.773 64.025 63.200 0.086 0.000 1.105 321 S HN 0.521 nan 8.310 nan 0.000 0.465 322 L N 1.972 122.905 121.223 -0.484 0.000 2.051 322 L HA -0.108 4.232 4.340 0.000 0.000 0.214 322 L C 2.479 179.282 176.870 -0.111 0.000 1.076 322 L CA 2.137 56.555 54.840 -0.703 0.000 0.758 322 L CB -0.780 40.900 42.059 -0.631 0.000 0.890 322 L HN 0.902 nan 8.230 nan 0.000 0.433 323 E N -0.258 119.915 120.200 -0.044 0.000 2.097 323 E HA -0.252 4.098 4.350 0.000 0.000 0.196 323 E C 1.915 178.553 176.600 0.064 0.000 1.000 323 E CA 1.812 58.228 56.400 0.026 0.000 0.804 323 E CB -0.303 29.408 29.700 0.019 0.000 0.740 323 E HN 0.637 nan 8.360 nan 0.000 0.454 324 D N -0.230 120.224 120.400 0.090 0.000 2.117 324 D HA -0.110 4.530 4.640 0.000 0.000 0.198 324 D C 1.634 178.038 176.300 0.173 0.000 0.982 324 D CA 0.500 54.572 54.000 0.120 0.000 0.828 324 D CB -0.351 40.531 40.800 0.138 0.000 0.967 324 D HN 0.089 nan 8.370 nan 0.000 0.464 325 F N 1.141 121.143 119.950 0.086 0.000 2.069 325 F HA -0.171 4.356 4.527 0.000 0.000 0.298 325 F C 1.988 177.857 175.800 0.115 0.000 1.113 325 F CA 0.963 59.039 58.000 0.127 0.000 1.214 325 F CB -0.607 38.503 39.000 0.183 0.000 0.978 325 F HN -0.035 nan 8.300 nan 0.000 0.474 326 L N 0.946 122.204 121.223 0.059 0.000 2.079 326 L HA -0.215 4.125 4.340 0.000 0.000 0.210 326 L C 2.451 179.276 176.870 -0.074 0.000 1.081 326 L CA 2.112 56.943 54.840 -0.015 0.000 0.752 326 L CB -0.981 41.160 42.059 0.138 0.000 0.896 326 L HN 0.237 nan 8.230 nan 0.000 0.433 327 K N -1.382 119.006 120.400 -0.020 0.000 2.057 327 K HA -0.181 4.139 4.320 0.000 0.000 0.206 327 K C 2.142 178.719 176.600 -0.038 0.000 1.050 327 K CA 1.329 57.605 56.287 -0.019 0.000 0.935 327 K CB -0.060 32.446 32.500 0.010 0.000 0.715 327 K HN 0.393 nan 8.250 nan 0.000 0.439 328 Q N 0.086 119.858 119.800 -0.047 0.000 2.124 328 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 328 Q C 2.052 178.006 176.000 -0.077 0.000 0.977 328 Q CA 1.463 57.240 55.803 -0.043 0.000 0.850 328 Q CB -0.098 28.633 28.738 -0.013 0.000 0.901 328 Q HN 0.475 nan 8.270 nan 0.000 0.429 329 M N 0.114 119.612 119.600 -0.171 0.000 2.132 329 M HA -0.184 4.296 4.480 0.000 0.000 0.263 329 M C 2.121 178.385 176.300 -0.061 0.000 1.065 329 M CA 1.394 56.609 55.300 -0.142 0.000 1.122 329 M CB -0.330 32.131 32.600 -0.232 0.000 1.365 329 M HN 0.193 nan 8.290 nan 0.000 0.411 330 Q N 0.351 120.114 119.800 -0.061 0.000 2.084 330 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 330 Q C 1.635 177.626 176.000 -0.015 0.000 0.978 330 Q CA 1.448 57.230 55.803 -0.034 0.000 0.844 330 Q CB -0.362 28.355 28.738 -0.033 0.000 0.898 330 Q HN 0.643 nan 8.270 nan 0.000 0.426 331 N N -0.066 118.629 118.700 -0.008 0.000 2.166 331 N HA -0.146 4.594 4.740 0.000 0.000 0.186 331 N C 1.562 177.100 175.510 0.047 0.000 1.019 331 N CA 0.444 53.501 53.050 0.012 0.000 0.856 331 N CB 0.095 38.591 38.487 0.015 0.000 0.993 331 N HN 0.052 nan 8.380 nan 0.000 0.426 332 L N 1.793 123.056 121.223 0.067 0.000 1.988 332 L HA -0.128 4.212 4.340 0.000 0.000 0.207 332 L C 2.307 179.244 176.870 0.110 0.000 1.071 332 L CA 1.573 56.514 54.840 0.167 0.000 0.744 332 L CB -0.811 41.352 42.059 0.173 0.000 0.893 332 L HN -0.009 nan 8.230 nan 0.000 0.433 333 K N 0.131 120.559 120.400 0.046 0.000 2.127 333 K HA -0.246 4.074 4.320 0.000 0.000 0.208 333 K C 2.282 178.856 176.600 -0.042 0.000 1.047 333 K CA 1.606 57.889 56.287 -0.006 0.000 0.927 333 K CB -0.297 32.196 32.500 -0.012 0.000 0.716 333 K HN 0.301 nan 8.250 nan 0.000 0.450 334 R N 0.317 120.802 120.500 -0.024 0.000 2.148 334 R HA -0.007 4.333 4.340 0.000 0.000 0.223 334 R C 1.719 177.990 176.300 -0.049 0.000 1.088 334 R CA 0.634 56.713 56.100 -0.035 0.000 0.985 334 R CB -0.071 30.216 30.300 -0.022 0.000 0.880 334 R HN 0.135 nan 8.270 nan 0.000 0.451 335 L N 1.435 122.635 121.223 -0.039 0.000 2.660 335 L HA 0.208 4.548 4.340 0.000 0.000 0.238 335 L C 0.803 177.528 176.870 -0.241 0.000 1.161 335 L CA 0.206 55.011 54.840 -0.057 0.000 0.937 335 L CB -0.270 41.849 42.059 0.099 0.000 1.122 335 L HN 0.514 nan 8.230 nan 0.000 0.435 336 G N 1.173 109.822 108.800 -0.251 0.000 2.752 336 G HA2 -0.230 3.730 3.960 0.000 0.000 0.234 336 G HA3 -0.230 3.730 3.960 0.000 0.000 0.234 336 G C -2.601 171.952 174.900 -0.578 0.000 1.367 336 G CA -0.799 44.114 45.100 -0.310 0.000 0.879 336 G HN 0.155 nan 8.290 nan 0.000 0.563 337 P HA 0.473 nan 4.420 nan 0.000 0.278 337 P C -0.435 176.535 177.300 -0.551 0.000 1.238 337 P CA -0.309 62.526 63.100 -0.442 0.000 0.794 337 P CB 0.415 32.004 31.700 -0.186 0.000 0.955 338 F N 0.710 120.660 119.950 -0.001 0.000 2.899 338 F HA 0.067 4.594 4.527 0.000 0.000 0.308 338 F C 2.129 177.929 175.800 0.001 0.000 1.221 338 F CA -0.290 57.710 58.000 0.000 0.000 1.265 338 F CB -0.536 38.465 39.000 0.001 0.000 1.253 338 F HN 0.241 nan 8.300 nan 0.000 0.534 339 S N -1.024 114.720 115.700 0.073 0.000 2.389 339 S HA -0.323 4.147 4.470 0.000 0.000 0.231 339 S C 1.844 176.485 174.600 0.068 0.000 1.052 339 S CA 1.907 60.139 58.200 0.053 0.000 1.053 339 S CB -0.189 63.020 63.200 0.016 0.000 0.886 339 S HN 0.461 nan 8.310 nan 0.000 0.456 340 E N 1.248 121.497 120.200 0.082 0.000 2.046 340 E HA 0.173 4.523 4.350 0.000 0.000 0.190 340 E C 1.992 178.633 176.600 0.068 0.000 0.982 340 E CA 1.100 57.540 56.400 0.067 0.000 0.800 340 E CB -0.396 29.343 29.700 0.064 0.000 0.756 340 E HN 0.657 nan 8.360 nan 0.000 0.449 341 I N 0.385 121.013 120.570 0.096 0.000 2.614 341 I HA -0.191 3.979 4.170 0.000 0.000 0.258 341 I C 1.506 177.653 176.117 0.050 0.000 1.189 341 I CA 0.751 62.085 61.300 0.056 0.000 1.462 341 I CB -0.070 37.944 38.000 0.024 0.000 1.092 341 I HN 0.109 nan 8.210 nan 0.000 0.442 342 L N -0.081 121.187 121.223 0.075 0.000 2.529 342 L HA 0.142 4.482 4.340 0.000 0.000 0.223 342 L C 2.517 179.412 176.870 0.041 0.000 1.113 342 L CA 0.380 55.255 54.840 0.059 0.000 0.861 342 L CB -0.618 41.486 42.059 0.075 0.000 1.012 342 L HN 0.214 nan 8.230 nan 0.000 0.461 343 G N 0.662 109.487 108.800 0.041 0.000 2.432 343 G HA2 -0.182 3.778 3.960 0.000 0.000 0.219 343 G HA3 -0.182 3.778 3.960 0.000 0.000 0.219 343 G C 1.568 176.481 174.900 0.022 0.000 1.135 343 G CA 0.520 45.638 45.100 0.029 0.000 0.767 343 G HN 0.209 nan 8.290 nan 0.000 0.550 344 L N -0.385 120.850 121.223 0.021 0.000 2.007 344 L HA 0.118 4.458 4.340 0.000 0.000 0.205 344 L C 0.598 177.476 176.870 0.013 0.000 1.073 344 L CA -0.021 54.828 54.840 0.014 0.000 0.744 344 L CB -0.581 41.484 42.059 0.010 0.000 0.898 344 L HN 0.069 nan 8.230 nan 0.000 0.435 345 L N 0.962 122.194 121.223 0.015 0.000 2.418 345 L HA 0.128 4.468 4.340 0.000 0.000 0.274 345 L C -1.797 175.083 176.870 0.016 0.000 1.135 345 L CA -1.011 53.837 54.840 0.014 0.000 0.870 345 L CB -0.508 41.560 42.059 0.016 0.000 1.154 345 L HN -0.169 nan 8.230 nan 0.000 0.462 346 P HA 0.048 nan 4.420 nan 0.000 0.271 346 P C 0.520 177.829 177.300 0.015 0.000 1.535 346 P CA 0.050 63.158 63.100 0.014 0.000 0.820 346 P CB 0.119 31.826 31.700 0.011 0.000 1.606 347 G N 0.421 109.232 108.800 0.019 0.000 2.467 347 G HA2 0.319 4.279 3.960 0.000 0.000 0.257 347 G HA3 0.319 4.279 3.960 0.000 0.000 0.257 347 G C 0.052 174.966 174.900 0.022 0.000 1.227 347 G CA -0.461 44.652 45.100 0.021 0.000 0.835 347 G HN 0.165 nan 8.290 nan 0.000 0.556 348 V N 1.079 121.005 119.914 0.021 0.000 2.681 348 V HA 0.188 4.308 4.120 0.000 0.000 0.306 348 V C -1.302 174.805 176.094 0.022 0.000 1.077 348 V CA -1.526 60.785 62.300 0.019 0.000 1.224 348 V CB -0.102 31.732 31.823 0.017 0.000 0.879 348 V HN 0.681 nan 8.190 nan 0.000 0.494 349 P HA 0.163 nan 4.420 nan 0.000 0.272 349 P C -0.442 176.866 177.300 0.015 0.000 1.223 349 P CA -0.116 62.995 63.100 0.018 0.000 0.784 349 P CB 0.465 32.173 31.700 0.013 0.000 0.923 350 Q N -0.267 119.541 119.800 0.012 0.000 2.461 350 Q HA -0.115 4.225 4.340 0.000 0.000 0.298 350 Q C 0.845 176.852 176.000 0.013 0.000 1.399 350 Q CA 0.477 56.283 55.803 0.004 0.000 0.778 350 Q CB -2.512 26.226 28.738 -0.001 0.000 1.130 350 Q HN 0.833 nan 8.270 nan 0.000 0.407 351 G N 0.579 109.396 108.800 0.028 0.000 3.318 351 G HA2 0.028 3.988 3.960 0.000 0.000 0.212 351 G HA3 0.028 3.988 3.960 0.000 0.000 0.212 351 G C 0.723 175.642 174.900 0.032 0.000 1.227 351 G CA -0.137 44.986 45.100 0.038 0.000 1.438 351 G HN 0.481 nan 8.290 nan 0.000 0.525 352 L N 0.047 121.279 121.223 0.015 0.000 3.062 352 L HA 0.045 4.385 4.340 0.000 0.000 0.264 352 L C 1.569 178.447 176.870 0.013 0.000 1.242 352 L CA -0.195 54.649 54.840 0.007 0.000 1.072 352 L CB -0.140 41.916 42.059 -0.005 0.000 1.420 352 L HN 0.124 nan 8.230 nan 0.000 0.412 353 K N 0.357 120.771 120.400 0.023 0.000 2.283 353 K HA -0.045 4.275 4.320 0.000 0.000 0.202 353 K C 1.157 177.772 176.600 0.025 0.000 1.048 353 K CA 0.654 56.957 56.287 0.026 0.000 0.948 353 K CB -0.400 32.121 32.500 0.036 0.000 0.742 353 K HN 0.391 nan 8.250 nan 0.000 0.458 354 V N 1.767 121.696 119.914 0.024 0.000 1.973 354 V HA 0.088 4.208 4.120 0.000 0.000 0.255 354 V C -0.098 175.998 176.094 0.004 0.000 1.605 354 V CA -1.015 61.296 62.300 0.018 0.000 1.542 354 V CB -1.148 30.689 31.823 0.024 0.000 1.504 354 V HN 0.097 nan 8.190 nan 0.000 0.505 355 D N 1.173 121.574 120.400 0.002 0.000 2.210 355 D HA 0.163 4.803 4.640 0.000 0.000 0.249 355 D C 0.547 176.841 176.300 -0.009 0.000 1.062 355 D CA -0.528 53.470 54.000 -0.005 0.000 0.891 355 D CB 2.184 42.982 40.800 -0.003 0.000 1.186 355 D HN 0.389 nan 8.370 nan 0.000 0.432 356 E N 0.562 120.755 120.200 -0.012 0.000 2.164 356 E HA -0.248 4.102 4.350 0.000 0.000 0.206 356 E C 1.461 178.050 176.600 -0.019 0.000 1.032 356 E CA 1.561 57.952 56.400 -0.015 0.000 0.832 356 E CB 0.097 29.790 29.700 -0.012 0.000 0.742 356 E HN 0.386 nan 8.360 nan 0.000 0.460 357 K N -0.351 120.039 120.400 -0.017 0.000 2.365 357 K HA 0.022 4.342 4.320 0.000 0.000 0.199 357 K C 1.684 178.269 176.600 -0.025 0.000 1.045 357 K CA 0.907 57.181 56.287 -0.021 0.000 0.962 357 K CB 0.106 32.595 32.500 -0.017 0.000 0.759 357 K HN 0.140 nan 8.250 nan 0.000 0.469 358 A N 0.432 123.240 122.820 -0.019 0.000 2.178 358 A HA 0.124 4.444 4.320 0.000 0.000 0.211 358 A C 1.970 179.534 177.584 -0.032 0.000 1.157 358 A CA 0.242 52.268 52.037 -0.019 0.000 0.780 358 A CB -0.166 18.833 19.000 -0.001 0.000 0.828 358 A HN 0.121 nan 8.150 nan 0.000 0.476 359 I N -0.972 119.576 120.570 -0.037 0.000 2.703 359 I HA -0.094 4.076 4.170 0.000 0.000 0.259 359 I C 2.053 178.121 176.117 -0.081 0.000 1.151 359 I CA 0.722 61.990 61.300 -0.053 0.000 1.470 359 I CB -0.114 37.862 38.000 -0.040 0.000 1.112 359 I HN 0.217 nan 8.210 nan 0.000 0.437 360 K N 0.655 121.016 120.400 -0.065 0.000 2.211 360 K HA -0.068 4.252 4.320 0.000 0.000 0.203 360 K C 2.121 178.665 176.600 -0.094 0.000 1.050 360 K CA 0.714 56.959 56.287 -0.070 0.000 0.945 360 K CB -0.003 32.467 32.500 -0.051 0.000 0.732 360 K HN 0.207 nan 8.250 nan 0.000 0.451 361 R N 0.797 121.239 120.500 -0.096 0.000 2.096 361 R HA -0.087 4.253 4.340 0.000 0.000 0.235 361 R C 2.167 178.349 176.300 -0.196 0.000 1.127 361 R CA 1.131 57.162 56.100 -0.114 0.000 0.968 361 R CB -0.502 29.745 30.300 -0.088 0.000 0.861 361 R HN 0.280 nan 8.270 nan 0.000 0.440 362 L N 0.030 121.095 121.223 -0.263 0.000 2.202 362 L HA 0.025 4.365 4.340 0.000 0.000 0.205 362 L C 2.174 178.827 176.870 -0.362 0.000 1.083 362 L CA 0.676 55.208 54.840 -0.513 0.000 0.790 362 L CB -0.446 41.249 42.059 -0.607 0.000 0.942 362 L HN 0.100 nan 8.230 nan 0.000 0.452 363 E N 0.808 120.889 120.200 -0.198 0.000 2.160 363 E HA -0.232 4.118 4.350 0.000 0.000 0.195 363 E C 2.221 178.754 176.600 -0.112 0.000 0.991 363 E CA 1.240 57.568 56.400 -0.120 0.000 0.810 363 E CB -0.035 29.619 29.700 -0.076 0.000 0.742 363 E HN 0.516 nan 8.360 nan 0.000 0.466 364 A N 0.936 123.678 122.820 -0.130 0.000 1.874 364 A HA -0.083 4.237 4.320 0.000 0.000 0.214 364 A C 2.110 179.628 177.584 -0.111 0.000 1.189 364 A CA 0.562 52.537 52.037 -0.103 0.000 0.615 364 A CB -0.399 18.544 19.000 -0.096 0.000 0.830 364 A HN 0.110 nan 8.150 nan 0.000 0.443 365 I N 0.168 120.637 120.570 -0.167 0.000 2.194 365 I HA -0.267 3.903 4.170 0.000 0.000 0.246 365 I C 2.277 178.345 176.117 -0.081 0.000 1.093 365 I CA 1.420 62.632 61.300 -0.146 0.000 1.355 365 I CB -0.382 37.462 38.000 -0.259 0.000 1.046 365 I HN 0.161 nan 8.210 nan 0.000 0.413 366 V N 0.227 120.088 119.914 -0.088 0.000 2.358 366 V HA -0.243 3.877 4.120 0.000 0.000 0.246 366 V C 2.370 178.458 176.094 -0.010 0.000 1.047 366 V CA 1.194 63.490 62.300 -0.005 0.000 1.035 366 V CB -0.547 31.285 31.823 0.017 0.000 0.658 366 V HN 0.294 nan 8.190 nan 0.000 0.452 367 L N 0.453 121.660 121.223 -0.028 0.000 2.079 367 L HA -0.131 4.209 4.340 0.000 0.000 0.210 367 L C 2.350 179.212 176.870 -0.014 0.000 1.081 367 L CA 1.945 56.776 54.840 -0.015 0.000 0.752 367 L CB -0.868 41.177 42.059 -0.022 0.000 0.896 367 L HN 0.327 nan 8.230 nan 0.000 0.433 368 S N -1.518 114.167 115.700 -0.026 0.000 2.558 368 S HA 0.159 4.629 4.470 0.000 0.000 0.217 368 S C 0.916 175.511 174.600 -0.008 0.000 0.975 368 S CA -0.022 58.164 58.200 -0.023 0.000 0.912 368 S CB -0.129 63.050 63.200 -0.034 0.000 0.776 368 S HN 0.251 nan 8.310 nan 0.000 0.526 369 M N 1.562 121.163 119.600 0.000 0.000 2.250 369 M HA 0.159 4.639 4.480 0.000 0.000 0.344 369 M C 0.370 176.675 176.300 0.009 0.000 1.150 369 M CA 0.093 55.399 55.300 0.010 0.000 1.147 369 M CB 0.640 33.252 32.600 0.020 0.000 1.498 369 M HN -0.092 nan 8.290 nan 0.000 0.461 370 T N 3.911 118.471 114.554 0.009 0.000 2.919 370 T HA 0.090 4.440 4.350 0.000 0.000 0.302 370 T C -1.322 173.383 174.700 0.009 0.000 1.031 370 T CA -1.047 61.059 62.100 0.009 0.000 1.127 370 T CB 0.636 69.510 68.868 0.009 0.000 0.952 370 T HN 0.503 nan 8.240 nan 0.000 0.540 371 P HA -0.157 nan 4.420 nan 0.000 0.218 371 P C 0.957 178.262 177.300 0.009 0.000 1.146 371 P CA 1.235 64.341 63.100 0.010 0.000 0.813 371 P CB 0.399 32.106 31.700 0.011 0.000 0.778 372 E N 0.002 120.207 120.200 0.009 0.000 2.318 372 E HA -0.049 4.301 4.350 0.000 0.000 0.193 372 E C 1.858 178.464 176.600 0.010 0.000 0.998 372 E CA 0.550 56.956 56.400 0.010 0.000 0.859 372 E CB -0.051 29.655 29.700 0.011 0.000 0.812 372 E HN 0.513 nan 8.360 nan 0.000 0.492 373 E N 0.378 120.583 120.200 0.008 0.000 2.358 373 E HA -0.029 4.321 4.350 0.000 0.000 0.195 373 E C 1.937 178.534 176.600 -0.004 0.000 1.010 373 E CA 0.256 56.661 56.400 0.008 0.000 0.856 373 E CB 0.120 29.826 29.700 0.012 0.000 0.795 373 E HN 0.088 nan 8.360 nan 0.000 0.504 374 R N 0.881 121.375 120.500 -0.010 0.000 2.100 374 R HA 0.034 4.374 4.340 0.000 0.000 0.220 374 R C 2.128 178.407 176.300 -0.036 0.000 1.091 374 R CA 0.693 56.771 56.100 -0.036 0.000 0.986 374 R CB 0.043 30.331 30.300 -0.020 0.000 0.888 374 R HN -0.018 nan 8.270 nan 0.000 0.444 375 K N 0.184 120.582 120.400 -0.003 0.000 2.097 375 K HA -0.117 4.203 4.320 0.000 0.000 0.206 375 K C 0.045 176.668 176.600 0.038 0.000 1.049 375 K CA 1.089 57.387 56.287 0.018 0.000 0.933 375 K CB 0.038 32.551 32.500 0.021 0.000 0.717 375 K HN 0.006 nan 8.250 nan 0.000 0.442 376 D N -1.009 119.410 120.400 0.033 0.000 2.472 376 D HA 0.171 4.811 4.640 0.000 0.000 0.248 376 D C -2.382 173.949 176.300 0.051 0.000 1.271 376 D CA -1.904 52.130 54.000 0.057 0.000 0.888 376 D CB 1.317 42.142 40.800 0.042 0.000 1.337 376 D HN -0.247 nan 8.370 nan 0.000 0.526 377 P HA -0.096 nan 4.420 nan 0.000 0.224 377 P C 1.214 178.546 177.300 0.053 0.000 1.142 377 P CA 0.754 63.882 63.100 0.047 0.000 0.778 377 P CB 0.286 32.012 31.700 0.043 0.000 0.764 378 R N 0.117 120.651 120.500 0.057 0.000 2.081 378 R HA -0.107 4.233 4.340 0.000 0.000 0.235 378 R C 2.305 178.618 176.300 0.022 0.000 1.131 378 R CA 1.461 57.580 56.100 0.032 0.000 0.960 378 R CB -1.132 29.181 30.300 0.022 0.000 0.856 378 R HN 0.308 nan 8.270 nan 0.000 0.436 379 I N -0.461 120.122 120.570 0.022 0.000 2.623 379 I HA -0.137 4.034 4.170 0.000 0.000 0.261 379 I C 0.282 176.409 176.117 0.016 0.000 1.204 379 I CA 0.701 62.011 61.300 0.016 0.000 1.444 379 I CB -0.526 37.484 38.000 0.016 0.000 1.094 379 I HN -0.011 nan 8.210 nan 0.000 0.451 380 L N 3.880 125.115 121.223 0.020 0.000 2.540 380 L HA 0.023 4.363 4.340 0.000 0.000 0.276 380 L C 0.608 177.488 176.870 0.017 0.000 1.212 380 L CA 0.295 55.147 54.840 0.020 0.000 0.893 380 L CB -0.084 41.991 42.059 0.027 0.000 1.138 380 L HN 0.561 nan 8.230 nan 0.000 0.491 381 N N 2.164 120.873 118.700 0.015 0.000 2.815 381 N HA 0.265 5.005 4.740 0.000 0.000 0.315 381 N C 0.722 176.240 175.510 0.013 0.000 1.320 381 N CA -0.101 52.957 53.050 0.012 0.000 0.846 381 N CB 1.286 39.779 38.487 0.009 0.000 1.344 381 N HN 0.441 nan 8.380 nan 0.000 0.593 382 G N -0.169 108.637 108.800 0.011 0.000 2.394 382 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 382 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 382 G C 1.315 176.222 174.900 0.011 0.000 1.165 382 G CA 0.797 45.904 45.100 0.011 0.000 0.784 382 G HN 0.591 nan 8.290 nan 0.000 0.535 383 S N -0.381 115.324 115.700 0.009 0.000 2.442 383 S HA -0.030 4.440 4.470 0.000 0.000 0.236 383 S C 2.430 177.034 174.600 0.008 0.000 1.007 383 S CA 1.058 59.262 58.200 0.007 0.000 0.965 383 S CB -0.116 63.088 63.200 0.006 0.000 0.773 383 S HN 0.411 nan 8.310 nan 0.000 0.504 384 R N 0.188 120.694 120.500 0.010 0.000 2.057 384 R HA 0.183 4.523 4.340 0.000 0.000 0.224 384 R C 2.650 178.959 176.300 0.014 0.000 1.136 384 R CA 0.892 56.999 56.100 0.012 0.000 0.968 384 R CB -0.155 30.154 30.300 0.014 0.000 0.863 384 R HN 0.293 nan 8.270 nan 0.000 0.433 385 R N 0.788 121.300 120.500 0.019 0.000 2.103 385 R HA -0.154 4.186 4.340 0.000 0.000 0.242 385 R C 2.244 178.554 176.300 0.016 0.000 1.142 385 R CA 1.100 57.214 56.100 0.024 0.000 0.960 385 R CB -0.278 30.039 30.300 0.028 0.000 0.858 385 R HN 0.070 nan 8.270 nan 0.000 0.439 386 K N 1.296 121.703 120.400 0.012 0.000 2.032 386 K HA -0.189 4.131 4.320 0.000 0.000 0.209 386 K C 2.102 178.704 176.600 0.003 0.000 1.048 386 K CA 1.419 57.710 56.287 0.007 0.000 0.927 386 K CB -0.183 32.320 32.500 0.005 0.000 0.712 386 K HN 0.117 nan 8.250 nan 0.000 0.441 387 R N 0.598 121.100 120.500 0.003 0.000 2.070 387 R HA -0.100 4.240 4.340 0.000 0.000 0.232 387 R C 2.503 178.800 176.300 -0.005 0.000 1.138 387 R CA 1.708 57.807 56.100 -0.002 0.000 0.936 387 R CB -0.392 29.908 30.300 0.000 0.000 0.839 387 R HN 0.188 nan 8.270 nan 0.000 0.429 388 I N 0.902 121.472 120.570 0.001 0.000 2.118 388 I HA -0.291 3.879 4.170 0.000 0.000 0.241 388 I C 2.637 178.748 176.117 -0.009 0.000 1.070 388 I CA 1.503 62.802 61.300 -0.002 0.000 1.327 388 I CB -0.621 37.387 38.000 0.012 0.000 1.034 388 I HN 0.312 nan 8.210 nan 0.000 0.405 389 A N 0.703 123.521 122.820 -0.002 0.000 1.978 389 A HA -0.280 4.040 4.320 0.000 0.000 0.220 389 A C 2.262 179.837 177.584 -0.016 0.000 1.170 389 A CA 2.218 54.250 52.037 -0.007 0.000 0.636 389 A CB -0.442 18.559 19.000 0.001 0.000 0.810 389 A HN 0.326 nan 8.150 nan 0.000 0.448 390 K N -0.243 120.148 120.400 -0.015 0.000 2.044 390 K HA 0.063 4.383 4.320 0.000 0.000 0.204 390 K C 1.949 178.531 176.600 -0.030 0.000 1.049 390 K CA 1.622 57.897 56.287 -0.020 0.000 0.945 390 K CB -1.056 31.434 32.500 -0.016 0.000 0.724 390 K HN 0.230 nan 8.250 nan 0.000 0.440 391 G N -0.083 108.698 108.800 -0.032 0.000 2.432 391 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 391 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 391 G C 1.581 176.448 174.900 -0.056 0.000 1.135 391 G CA 1.366 46.439 45.100 -0.045 0.000 0.767 391 G HN 0.516 nan 8.290 nan 0.000 0.550 392 S N -0.637 115.033 115.700 -0.050 0.000 2.356 392 S HA 0.364 4.834 4.470 0.000 0.000 0.219 392 S C 1.740 176.307 174.600 -0.057 0.000 1.036 392 S CA 1.299 59.464 58.200 -0.059 0.000 0.965 392 S CB -0.177 62.985 63.200 -0.063 0.000 0.864 392 S HN 1.580 nan 8.310 nan 0.000 0.471 393 G N 1.037 109.809 108.800 -0.046 0.000 2.186 393 G HA2 0.016 3.976 3.960 0.000 0.000 0.130 393 G HA3 0.016 3.976 3.960 0.000 0.000 0.130 393 G C 0.015 174.893 174.900 -0.036 0.000 1.031 393 G CA 0.035 45.111 45.100 -0.040 0.000 0.697 393 G HN 1.163 nan 8.290 nan 0.000 0.494 394 T N -2.401 112.134 114.554 -0.033 0.000 2.724 394 T HA 0.854 5.204 4.350 0.000 0.000 0.274 394 T C 0.372 175.064 174.700 -0.014 0.000 0.984 394 T CA 0.212 62.296 62.100 -0.027 0.000 1.024 394 T CB 1.735 70.581 68.868 -0.037 0.000 1.320 394 T HN 1.543 nan 8.240 nan 0.000 0.555 395 S N -0.398 115.299 115.700 -0.004 0.000 2.608 395 S HA 0.446 4.916 4.470 0.000 0.000 0.291 395 S C 1.311 175.919 174.600 0.013 0.000 1.146 395 S CA -0.600 57.602 58.200 0.004 0.000 1.043 395 S CB 1.113 64.317 63.200 0.007 0.000 1.037 395 S HN 0.615 nan 8.310 nan 0.000 0.520 396 V N 2.188 122.110 119.914 0.014 0.000 2.527 396 V HA -0.230 3.890 4.120 0.000 0.000 0.255 396 V C 2.620 178.733 176.094 0.032 0.000 1.081 396 V CA 2.243 64.556 62.300 0.021 0.000 1.092 396 V CB -1.358 30.475 31.823 0.017 0.000 0.673 396 V HN 0.851 nan 8.190 nan 0.000 0.470 397 Q N -0.088 119.730 119.800 0.029 0.000 2.020 397 Q HA -0.148 4.192 4.340 0.000 0.000 0.198 397 Q C 2.308 178.341 176.000 0.055 0.000 0.974 397 Q CA 1.671 57.497 55.803 0.038 0.000 0.829 397 Q CB -0.301 28.455 28.738 0.030 0.000 0.894 397 Q HN 0.671 nan 8.270 nan 0.000 0.433 398 E N -0.340 119.889 120.200 0.049 0.000 2.118 398 E HA -0.187 4.163 4.350 0.000 0.000 0.195 398 E C 1.942 178.606 176.600 0.107 0.000 0.992 398 E CA 1.354 57.792 56.400 0.064 0.000 0.804 398 E CB -0.033 29.683 29.700 0.027 0.000 0.741 398 E HN 0.135 nan 8.360 nan 0.000 0.458 399 V N 1.958 121.925 119.914 0.088 0.000 2.244 399 V HA -0.261 3.859 4.120 0.000 0.000 0.244 399 V C 2.306 178.502 176.094 0.171 0.000 1.042 399 V CA 1.761 64.141 62.300 0.133 0.000 1.006 399 V CB -0.638 31.233 31.823 0.081 0.000 0.641 399 V HN 0.366 nan 8.190 nan 0.000 0.446 400 N N 0.321 119.084 118.700 0.105 0.000 2.094 400 N HA -0.265 4.475 4.740 0.000 0.000 0.191 400 N C 2.127 177.691 175.510 0.090 0.000 1.023 400 N CA 2.112 55.212 53.050 0.083 0.000 0.857 400 N CB -0.176 38.343 38.487 0.053 0.000 1.013 400 N HN 0.410 nan 8.380 nan 0.000 0.426 401 R N -0.434 120.130 120.500 0.107 0.000 2.082 401 R HA -0.177 4.163 4.340 0.000 0.000 0.234 401 R C 2.345 178.737 176.300 0.154 0.000 1.136 401 R CA 1.638 57.804 56.100 0.109 0.000 0.935 401 R CB -0.689 29.679 30.300 0.114 0.000 0.842 401 R HN 0.254 nan 8.270 nan 0.000 0.430 402 F N 1.397 121.387 119.950 0.066 0.000 2.115 402 F HA -0.227 4.300 4.527 0.000 0.000 0.300 402 F C 1.840 177.692 175.800 0.086 0.000 1.092 402 F CA 1.666 59.729 58.000 0.105 0.000 1.245 402 F CB -0.256 38.803 39.000 0.099 0.000 0.995 402 F HN 0.043 nan 8.300 nan 0.000 0.481 403 I N -0.019 120.534 120.570 -0.028 0.000 2.286 403 I HA -0.257 3.913 4.170 0.000 0.000 0.245 403 I C 2.289 178.338 176.117 -0.114 0.000 1.104 403 I CA 0.873 62.093 61.300 -0.134 0.000 1.397 403 I CB -0.494 37.514 38.000 0.013 0.000 1.072 403 I HN -0.049 nan 8.210 nan 0.000 0.417 404 K N 1.098 121.460 120.400 -0.063 0.000 2.057 404 K HA -0.085 4.235 4.320 0.000 0.000 0.207 404 K C 2.223 178.738 176.600 -0.142 0.000 1.049 404 K CA 1.611 57.851 56.287 -0.078 0.000 0.931 404 K CB -0.765 31.716 32.500 -0.030 0.000 0.714 404 K HN 0.322 nan 8.250 nan 0.000 0.440 405 A N 0.884 123.623 122.820 -0.136 0.000 1.940 405 A HA -0.178 4.142 4.320 0.000 0.000 0.219 405 A C 2.106 179.425 177.584 -0.441 0.000 1.176 405 A CA 1.366 53.312 52.037 -0.152 0.000 0.631 405 A CB -0.644 18.374 19.000 0.030 0.000 0.814 405 A HN 0.309 nan 8.150 nan 0.000 0.446 406 F N 0.588 120.002 119.950 -0.893 0.000 2.039 406 F HA -0.106 4.421 4.527 0.000 0.000 0.294 406 F C 2.085 177.519 175.800 -0.609 0.000 1.130 406 F CA 2.088 59.348 58.000 -1.233 0.000 1.189 406 F CB -0.857 37.475 39.000 -1.114 0.000 0.983 406 F HN 0.376 nan 8.300 nan 0.000 0.471 407 E N -0.062 119.758 120.200 -0.634 0.000 2.136 407 E HA -0.372 3.978 4.350 0.000 0.000 0.208 407 E C 2.280 178.597 176.600 -0.471 0.000 1.035 407 E CA 2.029 58.087 56.400 -0.571 0.000 0.838 407 E CB -0.367 29.184 29.700 -0.248 0.000 0.748 407 E HN 0.684 nan 8.360 nan 0.000 0.459 408 E N -0.378 119.616 120.200 -0.344 0.000 2.106 408 E HA -0.214 4.136 4.350 0.000 0.000 0.192 408 E C 2.026 178.480 176.600 -0.243 0.000 0.984 408 E CA 1.107 57.366 56.400 -0.235 0.000 0.806 408 E CB -0.038 29.571 29.700 -0.151 0.000 0.750 408 E HN 0.172 nan 8.360 nan 0.000 0.458 409 M N 1.244 120.659 119.600 -0.309 0.000 2.175 409 M HA -0.123 4.357 4.480 0.000 0.000 0.264 409 M C 1.976 178.125 176.300 -0.252 0.000 1.063 409 M CA 1.684 56.861 55.300 -0.205 0.000 1.119 409 M CB -0.107 32.414 32.600 -0.132 0.000 1.377 409 M HN -0.110 nan 8.290 nan 0.000 0.415 410 K N -0.397 119.713 120.400 -0.484 0.000 2.009 410 K HA -0.143 4.177 4.320 0.000 0.000 0.210 410 K C 1.873 178.318 176.600 -0.259 0.000 1.049 410 K CA 1.708 57.728 56.287 -0.445 0.000 0.929 410 K CB -0.369 31.674 32.500 -0.762 0.000 0.714 410 K HN 0.433 nan 8.250 nan 0.000 0.440 411 A N 1.151 123.821 122.820 -0.250 0.000 1.933 411 A HA -0.149 4.171 4.320 0.000 0.000 0.218 411 A C 2.028 179.543 177.584 -0.115 0.000 1.175 411 A CA 1.458 53.399 52.037 -0.160 0.000 0.628 411 A CB -0.595 18.316 19.000 -0.148 0.000 0.814 411 A HN 0.422 nan 8.150 nan 0.000 0.444 412 L N -1.119 120.036 121.223 -0.113 0.000 2.005 412 L HA -0.081 4.259 4.340 0.000 0.000 0.207 412 L C 2.361 179.194 176.870 -0.061 0.000 1.072 412 L CA 2.795 57.591 54.840 -0.074 0.000 0.744 412 L CB -0.681 41.341 42.059 -0.062 0.000 0.895 412 L HN 0.365 nan 8.230 nan 0.000 0.433 413 M N -0.245 119.316 119.600 -0.065 0.000 2.195 413 M HA -0.250 4.230 4.480 0.000 0.000 0.260 413 M C 2.285 178.559 176.300 -0.043 0.000 1.066 413 M CA 1.972 57.248 55.300 -0.041 0.000 1.089 413 M CB -0.385 32.195 32.600 -0.033 0.000 1.377 413 M HN 0.379 nan 8.290 nan 0.000 0.411 414 K N -1.331 119.032 120.400 -0.062 0.000 2.044 414 K HA -0.068 4.252 4.320 0.000 0.000 0.204 414 K C 1.916 178.490 176.600 -0.043 0.000 1.049 414 K CA 1.546 57.801 56.287 -0.052 0.000 0.945 414 K CB -0.100 32.359 32.500 -0.068 0.000 0.724 414 K HN 0.291 nan 8.250 nan 0.000 0.440 415 S N 1.551 117.223 115.700 -0.048 0.000 2.359 415 S HA -0.097 4.373 4.470 0.000 0.000 0.224 415 S C 1.510 176.092 174.600 -0.030 0.000 1.035 415 S CA 1.010 59.187 58.200 -0.038 0.000 1.018 415 S CB -0.214 62.961 63.200 -0.041 0.000 0.876 415 S HN 0.312 nan 8.310 nan 0.000 0.448 416 L N 1.133 122.338 121.223 -0.030 0.000 2.821 416 L HA 0.003 4.343 4.340 0.000 0.000 0.254 416 L C 1.921 178.780 176.870 -0.019 0.000 1.151 416 L CA 0.458 55.284 54.840 -0.023 0.000 0.937 416 L CB -0.292 41.753 42.059 -0.023 0.000 1.141 416 L HN 0.253 nan 8.230 nan 0.000 0.425 417 E N -0.068 120.120 120.200 -0.020 0.000 2.279 417 E HA 0.068 4.418 4.350 0.000 0.000 0.199 417 E C 0.750 177.341 176.600 -0.014 0.000 0.893 417 E CA 0.334 56.725 56.400 -0.015 0.000 0.978 417 E CB 0.421 30.112 29.700 -0.015 0.000 0.964 417 E HN 0.160 nan 8.360 nan 0.000 0.486 418 K N 0.000 120.390 120.400 -0.017 0.000 2.780 418 K HA 0.000 4.320 4.320 0.000 0.000 0.191 418 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 418 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 418 K HN 0.000 nan 8.250 nan 0.000 0.543