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 3feq_1_I DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.692 174.700 -0.014 0.000 1.109 2 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 2 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 3 I N 0.103 120.663 120.570 -0.015 0.000 2.787 3 I HA 0.632 4.802 4.170 0.000 0.000 0.294 3 I C -1.809 174.296 176.117 -0.020 0.000 1.365 3 I CA -0.129 61.162 61.300 -0.015 0.000 1.029 3 I CB 2.314 40.307 38.000 -0.011 0.000 1.313 3 I HN 0.967 nan 8.210 nan 0.000 0.431 4 T N 5.669 120.210 114.554 -0.022 0.000 2.893 4 T HA 0.639 4.989 4.350 0.000 0.000 0.293 4 T C -1.352 173.334 174.700 -0.024 0.000 1.027 4 T CA -0.522 61.559 62.100 -0.032 0.000 0.988 4 T CB 2.099 70.938 68.868 -0.047 0.000 1.043 4 T HN 0.275 nan 8.240 nan 0.000 0.461 5 V N 4.135 124.034 119.914 -0.025 0.000 2.443 5 V HA 0.365 4.485 4.120 0.000 0.000 0.293 5 V C -0.867 175.207 176.094 -0.034 0.000 1.021 5 V CA -0.988 61.310 62.300 -0.003 0.000 0.848 5 V CB 1.564 33.411 31.823 0.040 0.000 0.998 5 V HN 0.655 nan 8.190 nan 0.000 0.424 6 L N 5.937 127.132 121.223 -0.047 0.000 2.313 6 L HA 0.432 4.772 4.340 0.000 0.000 0.282 6 L C 0.372 177.188 176.870 -0.090 0.000 1.092 6 L CA 0.312 55.101 54.840 -0.085 0.000 0.831 6 L CB 0.624 42.629 42.059 -0.090 0.000 1.159 6 L HN 0.822 nan 8.230 nan 0.000 0.442 7 Q N 1.193 120.902 119.800 -0.152 0.000 2.331 7 Q HA 0.639 4.979 4.340 0.000 0.000 0.267 7 Q C 0.548 176.278 176.000 -0.450 0.000 1.006 7 Q CA -0.431 55.152 55.803 -0.366 0.000 0.818 7 Q CB 1.972 30.630 28.738 -0.133 0.000 1.276 7 Q HN 0.789 nan 8.270 nan 0.000 0.450 8 G N 1.912 110.271 108.800 -0.735 0.000 2.136 8 G HA2 -0.235 3.725 3.960 0.000 0.000 0.242 8 G HA3 -0.235 3.725 3.960 0.000 0.000 0.242 8 G C 0.334 175.070 174.900 -0.273 0.000 0.989 8 G CA -0.300 44.589 45.100 -0.351 0.000 0.682 8 G HN 0.999 nan 8.290 nan 0.000 0.522 9 G N -0.475 108.200 108.800 -0.209 0.000 2.539 9 G HA2 0.471 4.431 3.960 0.000 0.000 0.258 9 G HA3 0.471 4.431 3.960 0.000 0.000 0.258 9 G C 0.050 174.887 174.900 -0.104 0.000 1.202 9 G CA -0.271 44.745 45.100 -0.139 0.000 0.851 9 G HN 0.501 nan 8.290 nan 0.000 0.556 10 N N 0.367 119.007 118.700 -0.101 0.000 2.719 10 N HA 0.263 5.003 4.740 0.000 0.000 0.243 10 N C -0.392 175.084 175.510 -0.056 0.000 1.104 10 N CA -0.543 52.465 53.050 -0.069 0.000 0.981 10 N CB 1.680 40.121 38.487 -0.077 0.000 1.290 10 N HN 0.177 nan 8.380 nan 0.000 0.513 11 V N 2.892 122.775 119.914 -0.052 0.000 2.425 11 V HA -0.043 4.077 4.120 0.000 0.000 0.276 11 V C 0.716 176.761 176.094 -0.082 0.000 1.017 11 V CA -0.161 62.102 62.300 -0.061 0.000 1.062 11 V CB 0.202 31.992 31.823 -0.056 0.000 0.997 11 V HN 0.639 nan 8.190 nan 0.000 0.476 12 L N 5.587 126.778 121.223 -0.053 0.000 2.456 12 L HA 0.219 4.559 4.340 0.000 0.000 0.277 12 L C 0.508 177.354 176.870 -0.039 0.000 1.124 12 L CA 0.267 55.081 54.840 -0.043 0.000 0.880 12 L CB 0.325 42.369 42.059 -0.025 0.000 1.192 12 L HN 0.684 nan 8.230 nan 0.000 0.463 13 D N 4.439 124.811 120.400 -0.047 0.000 2.233 13 D HA 0.163 4.803 4.640 0.000 0.000 0.240 13 D C 0.590 176.881 176.300 -0.014 0.000 1.074 13 D CA -0.390 53.591 54.000 -0.033 0.000 0.838 13 D CB 1.780 42.551 40.800 -0.048 0.000 1.124 13 D HN 0.494 nan 8.370 nan 0.000 0.475 14 L N 3.202 124.425 121.223 0.001 0.000 2.354 14 L HA -0.010 4.330 4.340 0.000 0.000 0.212 14 L C 2.352 179.231 176.870 0.015 0.000 1.091 14 L CA 0.265 55.112 54.840 0.013 0.000 0.828 14 L CB 0.023 42.098 42.059 0.026 0.000 0.973 14 L HN 0.488 nan 8.230 nan 0.000 0.461 15 E N 0.441 120.649 120.200 0.013 0.000 2.427 15 E HA -0.150 4.200 4.350 0.000 0.000 0.196 15 E C 1.600 178.206 176.600 0.009 0.000 1.028 15 E CA 0.745 57.153 56.400 0.014 0.000 0.864 15 E CB 0.069 29.778 29.700 0.015 0.000 0.813 15 E HN 0.451 nan 8.360 nan 0.000 0.514 16 R N -0.305 120.197 120.500 0.003 0.000 2.307 16 R HA 0.214 4.554 4.340 0.000 0.000 0.200 16 R C 1.044 177.344 176.300 0.000 0.000 0.893 16 R CA 0.563 56.664 56.100 0.001 0.000 1.042 16 R CB 0.798 31.095 30.300 -0.005 0.000 1.059 16 R HN 0.250 nan 8.270 nan 0.000 0.530 17 G N 1.136 109.936 108.800 -0.001 0.000 2.171 17 G HA2 -0.218 3.742 3.960 0.000 0.000 0.238 17 G HA3 -0.218 3.742 3.960 0.000 0.000 0.238 17 G C -0.166 174.730 174.900 -0.006 0.000 1.039 17 G CA 0.182 45.283 45.100 0.001 0.000 0.759 17 G HN 0.235 nan 8.290 nan 0.000 0.501 18 V N -2.569 117.336 119.914 -0.015 0.000 2.841 18 V HA 0.769 4.889 4.120 0.000 0.000 0.310 18 V C 0.662 176.733 176.094 -0.039 0.000 1.090 18 V CA -1.703 60.584 62.300 -0.021 0.000 0.930 18 V CB 1.978 33.790 31.823 -0.018 0.000 1.014 18 V HN 0.316 nan 8.190 nan 0.000 0.425 19 L N 3.816 125.018 121.223 -0.036 0.000 2.456 19 L HA 0.330 4.670 4.340 0.000 0.000 0.272 19 L C -0.289 176.536 176.870 -0.075 0.000 1.189 19 L CA -0.051 54.758 54.840 -0.051 0.000 0.846 19 L CB 0.526 42.565 42.059 -0.035 0.000 1.111 19 L HN 0.554 nan 8.230 nan 0.000 0.475 20 L N 4.360 125.498 121.223 -0.142 0.000 2.335 20 L HA 0.252 4.592 4.340 0.000 0.000 0.268 20 L C 0.320 177.168 176.870 -0.037 0.000 1.037 20 L CA -0.723 53.963 54.840 -0.257 0.000 0.895 20 L CB 0.646 42.239 42.059 -0.776 0.000 1.266 20 L HN 0.626 nan 8.230 nan 0.000 0.439 21 E N 2.992 123.261 120.200 0.114 0.000 2.415 21 E HA -0.034 4.316 4.350 0.000 0.000 0.262 21 E C 0.123 176.915 176.600 0.321 0.000 1.038 21 E CA -0.330 56.154 56.400 0.139 0.000 0.921 21 E CB 0.298 30.085 29.700 0.146 0.000 0.950 21 E HN 0.537 nan 8.360 nan 0.000 0.438 22 H N 0.088 119.229 119.070 0.118 0.000 2.776 22 H HA -0.168 4.388 4.556 0.000 0.000 0.300 22 H C -0.712 174.662 175.328 0.076 0.000 1.161 22 H CA 1.102 57.183 56.048 0.055 0.000 1.147 22 H CB -1.959 27.826 29.762 0.038 0.000 1.366 22 H HN 0.517 nan 8.280 nan 0.000 0.397 23 H N 0.615 119.727 119.070 0.069 0.000 2.604 23 H HA 0.231 4.787 4.556 0.000 0.000 0.306 23 H C 0.803 176.166 175.328 0.059 0.000 1.075 23 H CA -0.205 55.907 56.048 0.106 0.000 1.357 23 H CB 0.538 30.337 29.762 0.061 0.000 1.426 23 H HN 0.308 nan 8.280 nan 0.000 0.470 24 H N 1.680 120.785 119.070 0.059 0.000 2.629 24 H HA 0.264 4.821 4.556 0.000 0.000 0.357 24 H C -0.228 175.124 175.328 0.039 0.000 1.121 24 H CA -0.380 55.687 56.048 0.032 0.000 1.406 24 H CB 1.919 31.683 29.762 0.003 0.000 1.456 24 H HN 0.287 nan 8.280 nan 0.000 0.579 25 V N 3.890 123.874 119.914 0.118 0.000 2.483 25 V HA 0.255 4.375 4.120 0.000 0.000 0.297 25 V C -0.911 175.209 176.094 0.044 0.000 1.027 25 V CA -0.592 61.750 62.300 0.069 0.000 0.855 25 V CB 1.268 33.112 31.823 0.035 0.000 0.995 25 V HN 0.443 nan 8.190 nan 0.000 0.424 26 V N 8.238 128.175 119.914 0.038 0.000 2.347 26 V HA 0.515 4.635 4.120 0.000 0.000 0.280 26 V C -0.008 176.090 176.094 0.007 0.000 1.021 26 V CA -0.570 61.742 62.300 0.021 0.000 0.847 26 V CB 1.290 33.124 31.823 0.019 0.000 0.990 26 V HN 0.707 nan 8.190 nan 0.000 0.444 27 I N 3.659 124.227 120.570 -0.004 0.000 2.353 27 I HA 0.468 4.638 4.170 0.000 0.000 0.293 27 I C -0.327 175.783 176.117 -0.010 0.000 0.992 27 I CA -0.206 61.088 61.300 -0.010 0.000 1.268 27 I CB 1.396 39.383 38.000 -0.021 0.000 1.387 27 I HN 0.611 nan 8.210 nan 0.000 0.478 28 D N 3.898 124.293 120.400 -0.008 0.000 2.549 28 D HA 0.566 5.206 4.640 0.000 0.000 0.251 28 D C 0.618 176.912 176.300 -0.009 0.000 1.153 28 D CA 0.601 54.596 54.000 -0.008 0.000 0.861 28 D CB 1.571 42.367 40.800 -0.006 0.000 1.207 28 D HN 0.842 nan 8.370 nan 0.000 0.543 29 G N 3.965 112.758 108.800 -0.011 0.000 2.595 29 G HA2 -0.339 3.621 3.960 0.000 0.000 0.297 29 G HA3 -0.339 3.621 3.960 0.000 0.000 0.297 29 G C 0.709 175.600 174.900 -0.014 0.000 1.181 29 G CA 0.508 45.601 45.100 -0.012 0.000 0.963 29 G HN 0.569 nan 8.290 nan 0.000 0.541 30 E N 0.952 121.146 120.200 -0.011 0.000 2.526 30 E HA 0.202 4.552 4.350 0.000 0.000 0.208 30 E C 0.963 177.558 176.600 -0.008 0.000 0.997 30 E CA -0.193 56.200 56.400 -0.012 0.000 0.961 30 E CB 0.653 30.346 29.700 -0.011 0.000 1.030 30 E HN 0.358 nan 8.360 nan 0.000 0.483 31 R N 0.964 121.461 120.500 -0.005 0.000 2.732 31 R HA 0.477 4.817 4.340 0.000 0.000 0.278 31 R C -0.214 176.085 176.300 -0.001 0.000 0.976 31 R CA -0.787 55.313 56.100 -0.001 0.000 0.963 31 R CB 1.909 32.211 30.300 0.003 0.000 1.150 31 R HN -0.042 nan 8.270 nan 0.000 0.478 32 I N 2.255 122.827 120.570 0.002 0.000 2.416 32 I HA 0.003 4.173 4.170 0.000 0.000 0.288 32 I C 1.168 177.290 176.117 0.008 0.000 1.051 32 I CA -0.082 61.221 61.300 0.004 0.000 1.375 32 I CB 1.202 39.206 38.000 0.007 0.000 1.407 32 I HN 0.413 nan 8.210 nan 0.000 0.516 33 V N 3.981 123.900 119.914 0.009 0.000 3.379 33 V HA 0.211 4.332 4.120 0.000 0.000 0.249 33 V C 0.566 176.668 176.094 0.013 0.000 1.184 33 V CA 0.468 62.773 62.300 0.009 0.000 1.106 33 V CB -0.207 31.619 31.823 0.004 0.000 0.826 33 V HN 0.715 nan 8.190 nan 0.000 0.465 34 E N -0.146 120.065 120.200 0.019 0.000 2.321 34 E HA 0.564 4.914 4.350 0.000 0.000 0.278 34 E C -1.932 174.696 176.600 0.046 0.000 0.902 34 E CA -0.290 56.127 56.400 0.027 0.000 0.758 34 E CB 3.223 32.934 29.700 0.018 0.000 1.213 34 E HN 0.042 nan 8.360 nan 0.000 0.426 35 V N 2.403 122.354 119.914 0.062 0.000 2.407 35 V HA 0.618 4.738 4.120 0.000 0.000 0.291 35 V C -0.261 175.920 176.094 0.145 0.000 1.018 35 V CA -0.453 61.910 62.300 0.105 0.000 0.842 35 V CB 1.594 33.473 31.823 0.093 0.000 0.996 35 V HN 0.696 nan 8.190 nan 0.000 0.426 36 T N 1.899 116.546 114.554 0.155 0.000 2.957 36 T HA 0.309 4.659 4.350 0.000 0.000 0.336 36 T C -0.673 173.976 174.700 -0.085 0.000 1.462 36 T CA -0.354 61.779 62.100 0.056 0.000 1.073 36 T CB 1.848 70.716 68.868 -0.000 0.000 1.319 36 T HN 0.825 nan 8.240 nan 0.000 0.485 37 D N 1.732 121.930 120.400 -0.336 0.000 2.358 37 D HA 0.125 4.765 4.640 0.000 0.000 0.224 37 D C 0.530 176.733 176.300 -0.162 0.000 1.123 37 D CA -0.476 53.319 54.000 -0.342 0.000 0.833 37 D CB 0.121 40.547 40.800 -0.624 0.000 0.946 37 D HN 0.082 nan 8.370 nan 0.000 0.505 38 R N 2.168 122.566 120.500 -0.170 0.000 2.640 38 R HA 0.169 4.509 4.340 0.000 0.000 0.270 38 R C -2.127 173.984 176.300 -0.316 0.000 1.024 38 R CA -1.894 54.095 56.100 -0.186 0.000 1.085 38 R CB -0.696 29.509 30.300 -0.158 0.000 0.963 38 R HN 0.152 nan 8.270 nan 0.000 0.426 39 P HA -0.046 nan 4.420 nan 0.000 0.261 39 P C -0.147 177.001 177.300 -0.254 0.000 1.203 39 P CA 0.238 63.196 63.100 -0.237 0.000 0.767 39 P CB 0.527 32.160 31.700 -0.112 0.000 0.785 40 V N 3.454 123.156 119.914 -0.352 0.000 2.612 40 V HA 0.173 4.293 4.120 0.000 0.000 0.301 40 V C 0.367 176.390 176.094 -0.118 0.000 1.046 40 V CA -0.404 61.756 62.300 -0.234 0.000 0.946 40 V CB 1.653 33.315 31.823 -0.269 0.000 1.003 40 V HN 0.333 nan 8.190 nan 0.000 0.459 41 D N 4.155 124.508 120.400 -0.077 0.000 2.619 41 D HA 0.239 4.879 4.640 0.000 0.000 0.224 41 D C -0.087 176.195 176.300 -0.031 0.000 1.133 41 D CA -0.165 53.806 54.000 -0.048 0.000 1.017 41 D CB -0.329 40.447 40.800 -0.040 0.000 1.077 41 D HN 0.454 nan 8.370 nan 0.000 0.503 42 L N 0.768 121.977 121.223 -0.024 0.000 2.282 42 L HA 0.576 4.916 4.340 0.000 0.000 0.287 42 L C -1.772 175.093 176.870 -0.009 0.000 1.075 42 L CA -1.016 53.818 54.840 -0.011 0.000 0.839 42 L CB 0.887 42.947 42.059 0.002 0.000 1.219 42 L HN -0.043 nan 8.230 nan 0.000 0.434 43 P HA 0.163 nan 4.420 nan 0.000 0.211 43 P C 0.342 177.637 177.300 -0.008 0.000 1.150 43 P CA 0.580 63.675 63.100 -0.009 0.000 0.896 43 P CB 0.346 32.040 31.700 -0.010 0.000 0.764 44 N N -0.642 118.052 118.700 -0.009 0.000 2.321 44 N HA 0.371 5.111 4.740 0.000 0.000 0.242 44 N C -0.484 175.020 175.510 -0.011 0.000 1.141 44 N CA -0.184 52.860 53.050 -0.009 0.000 0.864 44 N CB 0.131 38.613 38.487 -0.009 0.000 1.100 44 N HN 0.148 nan 8.380 nan 0.000 0.510 45 A N 0.334 123.148 122.820 -0.010 0.000 2.366 45 A HA 0.270 4.590 4.320 0.000 0.000 0.272 45 A C 0.214 177.788 177.584 -0.016 0.000 1.135 45 A CA -0.319 51.711 52.037 -0.012 0.000 0.804 45 A CB 0.332 19.328 19.000 -0.007 0.000 1.064 45 A HN 0.212 nan 8.150 nan 0.000 0.499 46 Q N 1.508 121.293 119.800 -0.025 0.000 2.320 46 Q HA 0.331 4.671 4.340 0.000 0.000 0.262 46 Q C 0.288 176.262 176.000 -0.044 0.000 1.225 46 Q CA 0.627 56.408 55.803 -0.035 0.000 0.916 46 Q CB 0.097 28.808 28.738 -0.046 0.000 1.417 46 Q HN 0.763 nan 8.270 nan 0.000 0.462 47 A N 4.850 127.650 122.820 -0.033 0.000 2.395 47 A HA 0.351 4.671 4.320 0.000 0.000 0.286 47 A C -0.413 177.132 177.584 -0.065 0.000 1.193 47 A CA -0.321 51.696 52.037 -0.034 0.000 0.852 47 A CB -0.153 18.842 19.000 -0.009 0.000 1.118 47 A HN 0.749 nan 8.150 nan 0.000 0.524 48 I N 2.212 122.716 120.570 -0.110 0.000 2.336 48 I HA 0.181 4.351 4.170 0.000 0.000 0.292 48 I C -0.182 175.855 176.117 -0.132 0.000 0.991 48 I CA -0.397 60.799 61.300 -0.174 0.000 1.227 48 I CB 1.708 39.492 38.000 -0.361 0.000 1.366 48 I HN 0.600 nan 8.210 nan 0.000 0.466 49 D N 5.628 125.983 120.400 -0.075 0.000 2.325 49 D HA 0.300 4.940 4.640 0.000 0.000 0.251 49 D C -0.254 176.037 176.300 -0.015 0.000 1.196 49 D CA -0.020 53.957 54.000 -0.038 0.000 0.866 49 D CB 0.948 41.745 40.800 -0.004 0.000 1.101 49 D HN 0.250 nan 8.370 nan 0.000 0.476 50 V N 5.224 125.107 119.914 -0.051 0.000 2.699 50 V HA 0.177 4.297 4.120 0.000 0.000 0.311 50 V C 0.315 176.366 176.094 -0.072 0.000 1.160 50 V CA -0.841 61.440 62.300 -0.032 0.000 1.313 50 V CB -0.506 31.286 31.823 -0.052 0.000 1.553 50 V HN 0.503 nan 8.190 nan 0.000 0.630 51 R N 1.806 122.273 120.500 -0.056 0.000 2.442 51 R HA 0.335 4.675 4.340 0.000 0.000 0.291 51 R C 0.800 177.051 176.300 -0.082 0.000 1.069 51 R CA 0.801 56.854 56.100 -0.078 0.000 1.022 51 R CB 0.313 30.604 30.300 -0.016 0.000 0.976 51 R HN 0.816 nan 8.270 nan 0.000 0.443 52 G N 2.802 111.512 108.800 -0.150 0.000 2.283 52 G HA2 -0.333 3.627 3.960 0.000 0.000 0.280 52 G HA3 -0.333 3.627 3.960 0.000 0.000 0.280 52 G C -0.524 174.331 174.900 -0.074 0.000 1.029 52 G CA 0.950 45.985 45.100 -0.109 0.000 0.840 52 G HN 0.683 nan 8.290 nan 0.000 0.505 53 K N -0.411 119.941 120.400 -0.080 0.000 2.464 53 K HA 0.500 4.820 4.320 0.000 0.000 0.253 53 K C -0.102 176.465 176.600 -0.055 0.000 0.933 53 K CA -0.713 55.544 56.287 -0.050 0.000 0.801 53 K CB 1.563 34.050 32.500 -0.022 0.000 1.271 53 K HN 0.049 nan 8.250 nan 0.000 0.430 54 T N 1.484 116.011 114.554 -0.045 0.000 2.799 54 T HA 0.094 4.444 4.350 0.000 0.000 0.296 54 T C -0.486 174.191 174.700 -0.038 0.000 0.947 54 T CA -0.379 61.694 62.100 -0.044 0.000 1.141 54 T CB 0.664 69.508 68.868 -0.040 0.000 0.891 54 T HN 0.273 nan 8.240 nan 0.000 0.533 55 V N 7.252 127.141 119.914 -0.042 0.000 2.347 55 V HA 0.732 4.852 4.120 0.000 0.000 0.280 55 V C -0.406 175.663 176.094 -0.042 0.000 1.021 55 V CA -0.796 61.479 62.300 -0.041 0.000 0.847 55 V CB 0.443 32.242 31.823 -0.040 0.000 0.990 55 V HN 0.933 nan 8.190 nan 0.000 0.444 56 M N 6.244 125.814 119.600 -0.050 0.000 2.727 56 M HA 0.818 5.298 4.480 0.000 0.000 0.300 56 M C -2.902 173.363 176.300 -0.059 0.000 1.246 56 M CA -2.334 52.945 55.300 -0.036 0.000 0.835 56 M CB 1.860 34.460 32.600 -0.000 0.000 1.755 56 M HN 0.238 nan 8.290 nan 0.000 0.473 57 P HA 0.174 nan 4.420 nan 0.000 0.268 57 P C 0.021 177.254 177.300 -0.111 0.000 1.205 57 P CA 0.144 63.220 63.100 -0.039 0.000 0.771 57 P CB 0.237 31.945 31.700 0.013 0.000 0.858 58 G N 2.249 110.939 108.800 -0.182 0.000 2.559 58 G HA2 0.218 4.178 3.960 0.000 0.000 0.235 58 G HA3 0.218 4.178 3.960 0.000 0.000 0.235 58 G C -0.653 174.145 174.900 -0.171 0.000 1.266 58 G CA -0.314 44.571 45.100 -0.357 0.000 0.847 58 G HN 0.238 nan 8.290 nan 0.000 0.583 59 F N 0.113 119.978 119.950 -0.142 0.000 2.412 59 F HA 0.413 4.940 4.527 -0.000 0.000 0.348 59 F C 0.842 176.712 175.800 0.116 0.000 1.102 59 F CA -1.242 56.666 58.000 -0.153 0.000 1.196 59 F CB 0.809 39.422 39.000 -0.644 0.000 1.144 59 F HN 0.134 nan 8.300 nan 0.000 0.541 60 I N 2.882 123.668 120.570 0.360 0.000 2.339 60 I HA 0.200 4.370 4.170 0.000 0.000 0.290 60 I C -0.420 175.935 176.117 0.396 0.000 0.994 60 I CA -0.600 60.905 61.300 0.342 0.000 1.191 60 I CB 1.275 39.395 38.000 0.199 0.000 1.343 60 I HN 0.424 nan 8.210 nan 0.000 0.458 61 D N 5.637 126.282 120.400 0.408 0.000 2.329 61 D HA 0.222 4.862 4.640 0.000 0.000 0.232 61 D C 0.209 176.620 176.300 0.185 0.000 1.088 61 D CA -0.405 53.798 54.000 0.339 0.000 0.835 61 D CB 1.676 42.511 40.800 0.060 0.000 1.078 61 D HN 0.565 nan 8.370 nan 0.000 0.495 62 C N 2.756 122.155 119.300 0.165 0.000 2.626 62 C HA 0.141 4.601 4.460 0.000 0.000 0.266 62 C C 0.751 175.777 174.990 0.059 0.000 1.317 62 C CA -0.128 58.935 59.018 0.074 0.000 1.716 62 C CB -1.735 26.029 27.740 0.041 0.000 1.819 62 C HN 0.591 nan 8.230 nan 0.000 0.578 63 H N -0.023 119.003 119.070 -0.074 0.000 3.093 63 H HA 0.482 5.038 4.556 -0.000 0.000 0.311 63 H C -0.791 174.418 175.328 -0.198 0.000 1.294 63 H CA -0.154 55.801 56.048 -0.155 0.000 1.628 63 H CB 0.485 30.133 29.762 -0.191 0.000 1.874 63 H HN 0.090 nan 8.280 nan 0.000 0.574 64 V N 0.898 120.653 119.914 -0.265 0.000 3.102 64 V HA 0.558 4.678 4.120 0.000 0.000 0.312 64 V C -0.561 175.250 176.094 -0.472 0.000 1.135 64 V CA -0.899 61.264 62.300 -0.228 0.000 1.022 64 V CB 2.502 34.286 31.823 -0.067 0.000 1.056 64 V HN 0.705 nan 8.190 nan 0.000 0.436 65 H N 1.269 120.376 119.070 0.061 0.000 2.645 65 H HA 0.418 4.974 4.556 0.000 0.000 0.257 65 H C 0.833 176.228 175.328 0.112 0.000 1.269 65 H CA -0.299 55.785 56.048 0.059 0.000 1.409 65 H CB 1.603 31.404 29.762 0.065 0.000 1.434 65 H HN 0.529 nan 8.280 nan 0.000 0.505 66 V N 2.166 122.150 119.914 0.116 0.000 2.278 66 V HA -0.308 3.812 4.120 0.000 0.000 0.251 66 V C 2.317 178.424 176.094 0.021 0.000 1.062 66 V CA 1.791 64.119 62.300 0.045 0.000 1.038 66 V CB -0.281 31.542 31.823 -0.000 0.000 0.646 66 V HN 0.518 nan 8.190 nan 0.000 0.447 67 L N 0.059 121.314 121.223 0.052 0.000 2.478 67 L HA 0.145 4.485 4.340 0.000 0.000 0.223 67 L C 1.553 178.444 176.870 0.034 0.000 1.140 67 L CA 0.531 55.386 54.840 0.025 0.000 0.842 67 L CB -0.471 41.602 42.059 0.023 0.000 0.953 67 L HN 0.265 nan 8.230 nan 0.000 0.452 68 A N -0.010 122.872 122.820 0.103 0.000 2.639 68 A HA 0.170 4.490 4.320 0.000 0.000 0.295 68 A C 1.334 178.976 177.584 0.097 0.000 1.443 68 A CA 0.583 52.678 52.037 0.096 0.000 1.117 68 A CB -0.321 18.770 19.000 0.151 0.000 1.098 68 A HN 0.386 nan 8.150 nan 0.000 0.552 69 S N 1.184 116.891 115.700 0.011 0.000 2.540 69 S HA 0.149 4.619 4.470 0.000 0.000 0.218 69 S C 0.259 174.838 174.600 -0.035 0.000 0.977 69 S CA 0.060 58.247 58.200 -0.023 0.000 0.918 69 S CB -0.506 62.663 63.200 -0.051 0.000 0.806 69 S HN 0.957 nan 8.310 nan 0.000 0.496 70 N N -1.126 117.554 118.700 -0.033 0.000 2.610 70 N HA 0.664 5.404 4.740 0.000 0.000 0.264 70 N C 0.258 175.746 175.510 -0.037 0.000 1.348 70 N CA -0.455 52.569 53.050 -0.045 0.000 0.819 70 N CB 0.883 39.341 38.487 -0.048 0.000 1.521 70 N HN -0.058 nan 8.380 nan 0.000 0.497 71 A N 0.032 122.842 122.820 -0.016 0.000 2.119 71 A HA 0.028 4.348 4.320 0.000 0.000 0.216 71 A C 0.704 178.276 177.584 -0.020 0.000 1.152 71 A CA 0.414 52.458 52.037 0.011 0.000 0.708 71 A CB -0.658 18.394 19.000 0.088 0.000 0.805 71 A HN 0.687 nan 8.150 nan 0.000 0.460 72 N N 1.202 119.875 118.700 -0.045 0.000 2.482 72 N HA 0.241 4.981 4.740 0.000 0.000 0.242 72 N C 0.503 175.884 175.510 -0.215 0.000 1.100 72 N CA -0.127 52.862 53.050 -0.101 0.000 0.946 72 N CB 0.406 38.855 38.487 -0.062 0.000 1.227 72 N HN 0.342 nan 8.380 nan 0.000 0.508 73 L N 1.971 122.980 121.223 -0.357 0.000 2.456 73 L HA -0.002 4.338 4.340 0.000 0.000 0.224 73 L C 2.160 178.514 176.870 -0.860 0.000 1.148 73 L CA 0.782 55.264 54.840 -0.596 0.000 0.825 73 L CB -0.175 41.428 42.059 -0.760 0.000 0.937 73 L HN 0.518 nan 8.230 nan 0.000 0.450 74 G N -0.578 107.792 108.800 -0.716 0.000 2.394 74 G HA2 -0.184 3.776 3.960 0.000 0.000 0.214 74 G HA3 -0.184 3.776 3.960 0.000 0.000 0.214 74 G C 1.566 176.338 174.900 -0.214 0.000 1.176 74 G CA 0.625 45.464 45.100 -0.435 0.000 0.786 74 G HN 0.163 nan 8.290 nan 0.000 0.533 75 V N 0.826 120.641 119.914 -0.164 0.000 2.719 75 V HA -0.066 4.054 4.120 0.000 0.000 0.252 75 V C 2.481 178.517 176.094 -0.097 0.000 1.065 75 V CA 1.801 64.045 62.300 -0.095 0.000 1.086 75 V CB -0.282 31.506 31.823 -0.059 0.000 0.700 75 V HN 0.427 nan 8.190 nan 0.000 0.467 76 N N 0.463 119.079 118.700 -0.140 0.000 2.149 76 N HA -0.144 4.596 4.740 0.000 0.000 0.188 76 N C 1.706 177.161 175.510 -0.092 0.000 1.019 76 N CA 1.604 54.585 53.050 -0.115 0.000 0.857 76 N CB -0.238 38.161 38.487 -0.146 0.000 0.997 76 N HN 0.482 nan 8.380 nan 0.000 0.426 77 A N -0.883 121.867 122.820 -0.116 0.000 2.014 77 A HA -0.050 4.270 4.320 0.000 0.000 0.218 77 A C 2.034 179.611 177.584 -0.011 0.000 1.163 77 A CA 1.676 53.686 52.037 -0.046 0.000 0.652 77 A CB -0.795 18.192 19.000 -0.022 0.000 0.808 77 A HN 0.513 nan 8.150 nan 0.000 0.449 78 T N -1.244 113.295 114.554 -0.025 0.000 3.107 78 T HA 0.125 4.475 4.350 0.000 0.000 0.249 78 T C 0.770 175.465 174.700 -0.008 0.000 1.096 78 T CA 0.186 62.282 62.100 -0.007 0.000 1.012 78 T CB -0.474 68.390 68.868 -0.007 0.000 0.977 78 T HN 0.681 nan 8.240 nan 0.000 0.527 79 Q N 1.629 121.420 119.800 -0.016 0.000 2.327 79 Q HA 0.397 4.737 4.340 0.000 0.000 0.254 79 Q C -2.730 173.267 176.000 -0.004 0.000 0.952 79 Q CA -2.175 53.620 55.803 -0.013 0.000 0.884 79 Q CB 0.157 28.882 28.738 -0.021 0.000 1.224 79 Q HN 0.078 nan 8.270 nan 0.000 0.422 80 P HA -0.037 nan 4.420 nan 0.000 0.266 80 P C -0.191 177.112 177.300 0.004 0.000 1.193 80 P CA -0.068 63.033 63.100 0.002 0.000 0.770 80 P CB 0.561 32.261 31.700 -0.000 0.000 0.836 81 N N 2.154 120.860 118.700 0.011 0.000 2.043 81 N HA -0.156 4.584 4.740 0.000 0.000 0.193 81 N C 1.559 177.075 175.510 0.010 0.000 1.037 81 N CA 0.979 54.039 53.050 0.016 0.000 0.851 81 N CB -0.832 37.670 38.487 0.024 0.000 1.027 81 N HN 0.466 nan 8.380 nan 0.000 0.422 82 I N 0.680 121.254 120.570 0.007 0.000 2.179 82 I HA -0.204 3.966 4.170 0.000 0.000 0.242 82 I C 1.762 177.876 176.117 -0.005 0.000 1.088 82 I CA 1.297 62.599 61.300 0.002 0.000 1.357 82 I CB -0.685 37.316 38.000 0.002 0.000 1.051 82 I HN 0.126 nan 8.210 nan 0.000 0.409 83 L N 1.271 122.490 121.223 -0.007 0.000 2.079 83 L HA -0.220 4.120 4.340 0.000 0.000 0.210 83 L C 2.969 179.829 176.870 -0.017 0.000 1.081 83 L CA 1.586 56.418 54.840 -0.013 0.000 0.752 83 L CB -0.705 41.346 42.059 -0.012 0.000 0.896 83 L HN 0.381 nan 8.230 nan 0.000 0.433 84 A N -0.258 122.555 122.820 -0.012 0.000 1.877 84 A HA -0.213 4.107 4.320 0.000 0.000 0.216 84 A C 2.480 180.054 177.584 -0.016 0.000 1.186 84 A CA 1.845 53.874 52.037 -0.014 0.000 0.620 84 A CB -0.746 18.251 19.000 -0.005 0.000 0.822 84 A HN 0.442 nan 8.150 nan 0.000 0.443 85 A N -0.384 122.430 122.820 -0.010 0.000 1.930 85 A HA -0.014 4.306 4.320 0.000 0.000 0.217 85 A C 1.982 179.552 177.584 -0.023 0.000 1.175 85 A CA 1.578 53.607 52.037 -0.013 0.000 0.627 85 A CB -0.460 18.537 19.000 -0.005 0.000 0.815 85 A HN 0.390 nan 8.150 nan 0.000 0.443 86 I N -0.015 120.541 120.570 -0.023 0.000 2.142 86 I HA -0.177 3.993 4.170 0.000 0.000 0.240 86 I C 2.400 178.494 176.117 -0.039 0.000 1.078 86 I CA 1.373 62.657 61.300 -0.028 0.000 1.343 86 I CB -1.317 36.669 38.000 -0.024 0.000 1.046 86 I HN 0.320 nan 8.210 nan 0.000 0.405 87 R N 0.482 120.957 120.500 -0.041 0.000 2.293 87 R HA -0.095 4.245 4.340 0.000 0.000 0.219 87 R C 2.162 178.418 176.300 -0.073 0.000 1.091 87 R CA 1.243 57.310 56.100 -0.055 0.000 1.004 87 R CB -0.248 30.021 30.300 -0.051 0.000 0.865 87 R HN 0.471 nan 8.270 nan 0.000 0.469 88 S N -0.113 115.548 115.700 -0.065 0.000 2.562 88 S HA 0.058 4.528 4.470 0.000 0.000 0.221 88 S C 1.800 176.349 174.600 -0.085 0.000 0.975 88 S CA 0.102 58.254 58.200 -0.081 0.000 0.918 88 S CB 0.039 63.206 63.200 -0.055 0.000 0.772 88 S HN 0.211 nan 8.310 nan 0.000 0.531 89 L N 0.982 122.163 121.223 -0.069 0.000 2.068 89 L HA 0.111 4.451 4.340 0.000 0.000 0.204 89 L C -0.597 176.233 176.870 -0.066 0.000 1.076 89 L CA 0.824 55.628 54.840 -0.061 0.000 0.753 89 L CB -1.678 40.352 42.059 -0.047 0.000 0.910 89 L HN 0.239 nan 8.230 nan 0.000 0.439 90 P HA -0.174 nan 4.420 nan 0.000 0.215 90 P C 1.822 179.063 177.300 -0.099 0.000 1.153 90 P CA 1.503 64.558 63.100 -0.075 0.000 0.853 90 P CB 0.047 31.701 31.700 -0.078 0.000 0.788 91 I N -1.398 119.079 120.570 -0.154 0.000 2.163 91 I HA -0.261 3.909 4.170 0.000 0.000 0.243 91 I C 2.358 178.384 176.117 -0.151 0.000 1.085 91 I CA 1.493 62.646 61.300 -0.245 0.000 1.347 91 I CB -0.698 37.062 38.000 -0.400 0.000 1.044 91 I HN -0.104 nan 8.210 nan 0.000 0.408 92 L N 0.056 121.216 121.223 -0.106 0.000 2.083 92 L HA -0.249 4.091 4.340 0.000 0.000 0.209 92 L C 2.186 179.040 176.870 -0.025 0.000 1.083 92 L CA 1.373 56.179 54.840 -0.057 0.000 0.752 92 L CB -0.483 41.545 42.059 -0.052 0.000 0.899 92 L HN 0.269 nan 8.230 nan 0.000 0.433 93 D N -0.315 120.066 120.400 -0.032 0.000 2.097 93 D HA -0.149 4.491 4.640 0.000 0.000 0.197 93 D C 2.172 178.477 176.300 0.008 0.000 0.984 93 D CA 1.358 55.350 54.000 -0.014 0.000 0.826 93 D CB 0.109 40.895 40.800 -0.024 0.000 0.973 93 D HN 0.244 nan 8.370 nan 0.000 0.460 94 A N 0.178 122.997 122.820 -0.002 0.000 1.902 94 A HA -0.163 4.157 4.320 0.000 0.000 0.217 94 A C 2.337 179.975 177.584 0.090 0.000 1.181 94 A CA 1.486 53.538 52.037 0.026 0.000 0.623 94 A CB -0.609 18.390 19.000 -0.003 0.000 0.818 94 A HN 0.269 nan 8.150 nan 0.000 0.443 95 M N -1.322 118.330 119.600 0.087 0.000 2.106 95 M HA -0.180 4.300 4.480 0.000 0.000 0.259 95 M C 2.234 178.692 176.300 0.262 0.000 1.068 95 M CA 1.711 57.114 55.300 0.172 0.000 1.100 95 M CB -0.490 32.157 32.600 0.079 0.000 1.351 95 M HN 0.491 nan 8.290 nan 0.000 0.404 96 L N 0.354 121.664 121.223 0.146 0.000 2.056 96 L HA -0.122 4.218 4.340 0.000 0.000 0.207 96 L C 2.649 179.573 176.870 0.090 0.000 1.078 96 L CA 2.140 57.049 54.840 0.116 0.000 0.749 96 L CB -0.640 41.450 42.059 0.053 0.000 0.901 96 L HN 0.355 nan 8.230 nan 0.000 0.433 97 S N -0.957 114.790 115.700 0.079 0.000 2.474 97 S HA -0.125 4.345 4.470 0.000 0.000 0.235 97 S C 1.872 176.520 174.600 0.079 0.000 0.997 97 S CA 0.437 58.667 58.200 0.052 0.000 0.949 97 S CB -0.607 62.613 63.200 0.034 0.000 0.766 97 S HN 0.553 nan 8.310 nan 0.000 0.517 98 R N 0.761 121.366 120.500 0.175 0.000 2.325 98 R HA 0.233 4.573 4.340 0.000 0.000 0.214 98 R C 1.459 177.851 176.300 0.153 0.000 0.961 98 R CA 0.399 56.648 56.100 0.248 0.000 1.086 98 R CB -0.435 30.138 30.300 0.455 0.000 1.037 98 R HN 0.623 nan 8.270 nan 0.000 0.493 99 G N 0.651 109.445 108.800 -0.009 0.000 2.159 99 G HA2 -0.289 3.671 3.960 0.000 0.000 0.256 99 G HA3 -0.289 3.671 3.960 0.000 0.000 0.256 99 G C -0.063 174.573 174.900 -0.441 0.000 0.977 99 G CA -0.352 44.531 45.100 -0.361 0.000 0.652 99 G HN 0.255 nan 8.290 nan 0.000 0.531 100 F N 1.953 121.937 119.950 0.058 0.000 2.438 100 F HA 0.453 4.980 4.527 0.000 0.000 0.360 100 F C 1.866 177.686 175.800 0.034 0.000 1.118 100 F CA 0.635 58.705 58.000 0.117 0.000 1.164 100 F CB 1.400 40.514 39.000 0.190 0.000 1.131 100 F HN 0.116 nan 8.300 nan 0.000 0.527 101 T N -2.293 112.348 114.554 0.146 0.000 3.023 101 T HA 0.179 4.529 4.350 0.000 0.000 0.249 101 T C 0.590 175.365 174.700 0.124 0.000 1.050 101 T CA 0.027 62.175 62.100 0.081 0.000 1.088 101 T CB 0.113 68.981 68.868 0.000 0.000 0.946 101 T HN 0.297 nan 8.240 nan 0.000 0.480 102 S N 1.159 116.980 115.700 0.202 0.000 2.526 102 S HA 0.745 5.215 4.470 0.000 0.000 0.293 102 S C -0.669 174.097 174.600 0.276 0.000 1.092 102 S CA -0.787 57.560 58.200 0.246 0.000 0.980 102 S CB 2.177 65.586 63.200 0.348 0.000 1.048 102 S HN 0.571 nan 8.310 nan 0.000 0.483 103 V N 0.644 120.704 119.914 0.245 0.000 2.823 103 V HA 0.698 4.818 4.120 0.000 0.000 0.312 103 V C -0.576 175.677 176.094 0.266 0.000 1.072 103 V CA -1.188 61.228 62.300 0.194 0.000 0.937 103 V CB 1.755 33.629 31.823 0.084 0.000 1.013 103 V HN 0.848 nan 8.190 nan 0.000 0.430 104 R N 2.046 122.646 120.500 0.167 0.000 2.265 104 R HA 0.354 4.694 4.340 0.000 0.000 0.328 104 R C -0.789 175.502 176.300 -0.014 0.000 0.969 104 R CA -0.394 55.782 56.100 0.128 0.000 0.832 104 R CB 0.911 31.235 30.300 0.040 0.000 1.139 104 R HN 1.024 nan 8.270 nan 0.000 0.457 105 D N 3.019 123.408 120.400 -0.018 0.000 2.225 105 D HA 0.131 4.771 4.640 0.000 0.000 0.248 105 D C -0.145 176.038 176.300 -0.196 0.000 1.096 105 D CA -0.032 53.897 54.000 -0.118 0.000 0.863 105 D CB 1.645 42.419 40.800 -0.044 0.000 1.156 105 D HN 0.686 nan 8.370 nan 0.000 0.450 106 A N 2.922 125.485 122.820 -0.429 0.000 2.359 106 A HA 0.490 4.810 4.320 0.000 0.000 0.240 106 A C 0.784 178.356 177.584 -0.020 0.000 1.306 106 A CA 0.364 52.143 52.037 -0.431 0.000 0.898 106 A CB -0.437 17.870 19.000 -1.156 0.000 0.956 106 A HN 0.745 nan 8.150 nan 0.000 0.497 107 G N -2.659 106.163 108.800 0.036 0.000 3.326 107 G HA2 0.487 4.447 3.960 0.000 0.000 0.681 107 G HA3 0.487 4.447 3.960 0.000 0.000 0.681 107 G C 0.506 175.495 174.900 0.147 0.000 1.255 107 G CA 0.138 45.296 45.100 0.098 0.000 0.976 107 G HN 1.953 nan 8.290 nan 0.000 0.563 108 G N 0.642 109.478 108.800 0.060 0.000 2.906 108 G HA2 0.469 4.429 3.960 0.000 0.000 0.196 108 G HA3 0.469 4.429 3.960 0.000 0.000 0.196 108 G C 1.060 175.977 174.900 0.027 0.000 2.215 108 G CA 1.326 46.458 45.100 0.054 0.000 1.518 108 G HN 2.549 nan 8.290 nan 0.000 0.495 109 A N 1.689 124.526 122.820 0.028 0.000 2.462 109 A HA 0.549 4.869 4.320 0.000 0.000 0.243 109 A C 0.358 177.953 177.584 0.018 0.000 1.076 109 A CA 1.203 53.248 52.037 0.014 0.000 0.773 109 A CB 0.035 19.036 19.000 0.001 0.000 1.010 109 A HN 1.041 nan 8.150 nan 0.000 0.493 110 D N 0.287 120.706 120.400 0.033 0.000 2.621 110 D HA 0.140 4.780 4.640 0.000 0.000 0.255 110 D C 0.709 177.082 176.300 0.122 0.000 1.122 110 D CA -0.845 53.203 54.000 0.080 0.000 1.096 110 D CB -0.130 40.728 40.800 0.098 0.000 1.282 110 D HN 0.578 nan 8.370 nan 0.000 0.619 111 W N 0.770 122.049 121.300 -0.034 0.000 2.342 111 W HA -0.199 4.461 4.660 0.000 0.000 0.297 111 W C 1.967 178.465 176.519 -0.035 0.000 1.213 111 W CA 2.802 60.126 57.345 -0.036 0.000 1.251 111 W CB -0.140 29.303 29.460 -0.028 0.000 1.136 111 W HN 0.404 nan 8.180 nan 0.000 0.526 112 S N 0.485 116.294 115.700 0.183 0.000 2.382 112 S HA -0.257 4.213 4.470 0.000 0.000 0.228 112 S C 1.921 176.425 174.600 -0.159 0.000 1.027 112 S CA 1.380 59.550 58.200 -0.050 0.000 0.991 112 S CB -1.008 62.269 63.200 0.128 0.000 0.823 112 S HN 0.441 nan 8.310 nan 0.000 0.469 113 L N 0.611 121.780 121.223 -0.090 0.000 2.141 113 L HA 0.019 4.359 4.340 0.000 0.000 0.209 113 L C 2.682 179.454 176.870 -0.164 0.000 1.094 113 L CA 1.394 56.174 54.840 -0.101 0.000 0.763 113 L CB -0.325 41.701 42.059 -0.055 0.000 0.908 113 L HN 0.448 nan 8.230 nan 0.000 0.437 114 M N -1.013 118.453 119.600 -0.223 0.000 2.117 114 M HA -0.242 4.238 4.480 0.000 0.000 0.262 114 M C 2.215 178.303 176.300 -0.354 0.000 1.065 114 M CA 1.593 56.721 55.300 -0.286 0.000 1.114 114 M CB -0.042 32.365 32.600 -0.321 0.000 1.361 114 M HN 0.200 nan 8.290 nan 0.000 0.408 115 Q N 0.413 119.915 119.800 -0.497 0.000 2.084 115 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 115 Q C 2.224 178.059 176.000 -0.274 0.000 0.978 115 Q CA 1.972 57.492 55.803 -0.471 0.000 0.844 115 Q CB -0.862 27.463 28.738 -0.689 0.000 0.898 115 Q HN 0.716 nan 8.270 nan 0.000 0.426 116 A N 0.952 123.642 122.820 -0.218 0.000 1.972 116 A HA -0.130 4.190 4.320 0.000 0.000 0.219 116 A C 2.319 179.833 177.584 -0.117 0.000 1.169 116 A CA 1.822 53.775 52.037 -0.139 0.000 0.635 116 A CB -0.776 18.161 19.000 -0.106 0.000 0.810 116 A HN 0.303 nan 8.150 nan 0.000 0.446 117 V N -2.281 117.555 119.914 -0.130 0.000 2.323 117 V HA -0.156 3.964 4.120 0.000 0.000 0.244 117 V C 1.897 177.922 176.094 -0.115 0.000 1.041 117 V CA 2.318 64.552 62.300 -0.109 0.000 1.025 117 V CB -0.930 30.831 31.823 -0.105 0.000 0.656 117 V HN 0.553 nan 8.190 nan 0.000 0.451 118 E N 0.933 121.043 120.200 -0.150 0.000 2.204 118 E HA -0.130 4.220 4.350 0.000 0.000 0.194 118 E C 2.247 178.778 176.600 -0.114 0.000 0.989 118 E CA 1.707 58.023 56.400 -0.140 0.000 0.824 118 E CB -0.145 29.448 29.700 -0.179 0.000 0.756 118 E HN 0.918 nan 8.360 nan 0.000 0.477 119 T N -3.769 110.714 114.554 -0.117 0.000 3.081 119 T HA 0.186 4.536 4.350 0.000 0.000 0.255 119 T C 1.491 176.150 174.700 -0.069 0.000 1.113 119 T CA 0.463 62.510 62.100 -0.088 0.000 1.082 119 T CB 0.620 69.434 68.868 -0.090 0.000 0.939 119 T HN 0.229 nan 8.240 nan 0.000 0.506 120 G N 0.863 109.620 108.800 -0.071 0.000 2.141 120 G HA2 -0.225 3.735 3.960 0.000 0.000 0.242 120 G HA3 -0.225 3.735 3.960 0.000 0.000 0.242 120 G C 0.524 175.394 174.900 -0.050 0.000 0.982 120 G CA 0.245 45.312 45.100 -0.056 0.000 0.662 120 G HN 0.455 nan 8.290 nan 0.000 0.527 121 L N -0.455 120.734 121.223 -0.057 0.000 2.191 121 L HA 0.333 4.673 4.340 0.000 0.000 0.212 121 L C 1.300 178.142 176.870 -0.047 0.000 1.103 121 L CA 1.454 56.264 54.840 -0.050 0.000 0.769 121 L CB 0.112 42.137 42.059 -0.056 0.000 0.908 121 L HN 0.265 nan 8.230 nan 0.000 0.438 122 V N -1.749 118.132 119.914 -0.054 0.000 2.841 122 V HA 0.308 4.428 4.120 0.000 0.000 0.310 122 V C -0.339 175.728 176.094 -0.046 0.000 1.090 122 V CA -0.836 61.434 62.300 -0.049 0.000 0.930 122 V CB 2.124 33.914 31.823 -0.055 0.000 1.014 122 V HN -0.015 nan 8.190 nan 0.000 0.425 123 S N 2.741 118.418 115.700 -0.037 0.000 2.474 123 S HA 0.787 5.257 4.470 0.000 0.000 0.276 123 S C 0.158 174.741 174.600 -0.028 0.000 1.227 123 S CA 0.599 58.781 58.200 -0.030 0.000 1.050 123 S CB 0.180 63.366 63.200 -0.023 0.000 0.939 123 S HN 1.490 nan 8.310 nan 0.000 0.490 124 G N 4.852 113.639 108.800 -0.022 0.000 2.324 124 G HA2 0.351 4.311 3.960 0.000 0.000 0.293 124 G HA3 0.351 4.311 3.960 0.000 0.000 0.293 124 G C -3.632 171.266 174.900 -0.004 0.000 1.297 124 G CA -0.889 44.205 45.100 -0.010 0.000 0.853 124 G HN 0.493 nan 8.290 nan 0.000 0.535 125 P HA 0.343 nan 4.420 nan 0.000 0.275 125 P C -0.043 177.246 177.300 -0.018 0.000 1.228 125 P CA -0.480 62.640 63.100 0.033 0.000 0.786 125 P CB 0.568 32.324 31.700 0.094 0.000 0.927 126 R N 2.923 123.400 120.500 -0.038 0.000 2.537 126 R HA 0.092 4.432 4.340 0.000 0.000 0.281 126 R C -0.590 175.613 176.300 -0.162 0.000 0.988 126 R CA 0.292 56.311 56.100 -0.135 0.000 1.077 126 R CB -0.437 29.761 30.300 -0.171 0.000 0.932 126 R HN 0.418 nan 8.270 nan 0.000 0.409 127 I N 5.028 125.452 120.570 -0.243 0.000 2.412 127 I HA 0.214 4.384 4.170 0.000 0.000 0.296 127 I C -0.619 175.292 176.117 -0.344 0.000 0.987 127 I CA -0.638 60.556 61.300 -0.177 0.000 1.180 127 I CB 1.332 39.267 38.000 -0.107 0.000 1.340 127 I HN 0.536 nan 8.210 nan 0.000 0.455 128 F N 7.211 127.154 119.950 -0.012 0.000 2.291 128 F HA 0.352 4.879 4.527 -0.000 0.000 0.368 128 F C -2.141 173.645 175.800 -0.023 0.000 1.085 128 F CA -2.171 55.826 58.000 -0.005 0.000 1.165 128 F CB 0.641 39.648 39.000 0.011 0.000 1.429 128 F HN 0.188 nan 8.300 nan 0.000 0.503 129 P HA 0.202 nan 4.420 nan 0.000 0.288 129 P C 0.003 177.321 177.300 0.030 0.000 1.267 129 P CA -0.354 62.773 63.100 0.044 0.000 0.815 129 P CB 2.025 33.745 31.700 0.034 0.000 0.989 130 S N 0.993 116.691 115.700 -0.004 0.000 2.524 130 S HA 0.252 4.722 4.470 0.000 0.000 0.216 130 S C 1.335 175.912 174.600 -0.037 0.000 0.987 130 S CA 0.557 58.735 58.200 -0.036 0.000 0.909 130 S CB -0.586 62.586 63.200 -0.047 0.000 0.781 130 S HN 0.886 nan 8.310 nan 0.000 0.521 131 G N 2.386 111.173 108.800 -0.021 0.000 2.574 131 G HA2 -0.285 3.675 3.960 0.000 0.000 0.301 131 G HA3 -0.285 3.675 3.960 0.000 0.000 0.301 131 G C -0.434 174.423 174.900 -0.072 0.000 1.166 131 G CA 0.098 45.169 45.100 -0.048 0.000 0.971 131 G HN 0.434 nan 8.290 nan 0.000 0.542 132 K N 1.199 121.524 120.400 -0.124 0.000 2.221 132 K HA 0.677 4.997 4.320 0.000 0.000 0.258 132 K C 0.178 176.737 176.600 -0.069 0.000 0.944 132 K CA -0.093 56.118 56.287 -0.126 0.000 0.823 132 K CB 2.167 34.504 32.500 -0.272 0.000 1.113 132 K HN 0.973 nan 8.250 nan 0.000 0.431 133 A N 4.055 126.866 122.820 -0.016 0.000 2.492 133 A HA 0.162 4.482 4.320 0.000 0.000 0.254 133 A C 0.230 177.828 177.584 0.023 0.000 1.091 133 A CA -0.276 51.773 52.037 0.021 0.000 0.768 133 A CB -0.189 18.849 19.000 0.063 0.000 1.028 133 A HN 0.667 nan 8.150 nan 0.000 0.498 134 L N 2.767 124.021 121.223 0.052 0.000 2.360 134 L HA 0.373 4.713 4.340 0.000 0.000 0.276 134 L C 0.757 177.767 176.870 0.232 0.000 1.121 134 L CA 0.070 54.980 54.840 0.116 0.000 0.845 134 L CB 0.855 42.958 42.059 0.073 0.000 1.143 134 L HN 0.740 nan 8.230 nan 0.000 0.452 135 S N 2.778 118.589 115.700 0.184 0.000 2.541 135 S HA 0.427 4.897 4.470 0.000 0.000 0.280 135 S C -0.594 173.941 174.600 -0.107 0.000 1.112 135 S CA -0.898 57.322 58.200 0.033 0.000 0.925 135 S CB 1.851 64.992 63.200 -0.099 0.000 1.067 135 S HN 0.649 nan 8.310 nan 0.000 0.479 136 Q N 2.040 121.505 119.800 -0.559 0.000 2.500 136 Q HA 0.439 4.779 4.340 0.000 0.000 0.215 136 Q C -0.348 175.509 176.000 -0.239 0.000 1.062 136 Q CA -0.528 54.975 55.803 -0.499 0.000 0.996 136 Q CB -0.248 28.018 28.738 -0.787 0.000 1.239 136 Q HN 0.509 nan 8.270 nan 0.000 0.578 137 T N 0.842 115.306 114.554 -0.151 0.000 2.902 137 T HA 0.334 4.684 4.350 0.000 0.000 0.301 137 T C 1.014 175.646 174.700 -0.114 0.000 1.012 137 T CA 0.828 62.867 62.100 -0.102 0.000 1.151 137 T CB 0.101 68.935 68.868 -0.057 0.000 0.946 137 T HN 0.969 nan 8.240 nan 0.000 0.542 138 G N 2.548 111.284 108.800 -0.106 0.000 2.148 138 G HA2 -0.172 3.788 3.960 0.000 0.000 0.254 138 G HA3 -0.172 3.788 3.960 0.000 0.000 0.254 138 G C 0.529 175.359 174.900 -0.117 0.000 0.981 138 G CA -0.045 44.998 45.100 -0.095 0.000 0.670 138 G HN 1.126 nan 8.290 nan 0.000 0.528 139 G N -1.739 106.962 108.800 -0.166 0.000 2.588 139 G HA2 0.424 4.384 3.960 0.000 0.000 0.278 139 G HA3 0.424 4.384 3.960 0.000 0.000 0.278 139 G C 0.595 175.399 174.900 -0.159 0.000 1.307 139 G CA 0.436 45.437 45.100 -0.165 0.000 1.016 139 G HN 0.538 nan 8.290 nan 0.000 0.503 140 H N -0.989 117.948 119.070 -0.221 0.000 2.560 140 H HA 0.007 4.563 4.556 0.000 0.000 0.283 140 H C 2.172 177.244 175.328 -0.427 0.000 1.028 140 H CA 1.620 57.514 56.048 -0.257 0.000 1.221 140 H CB 0.002 29.603 29.762 -0.269 0.000 1.363 140 H HN 0.408 nan 8.280 nan 0.000 0.594 141 G N -1.436 107.052 108.800 -0.520 0.000 3.044 141 G HA2 -0.040 3.920 3.960 0.000 0.000 0.223 141 G HA3 -0.040 3.920 3.960 0.000 0.000 0.223 141 G C -0.198 174.159 174.900 -0.905 0.000 1.123 141 G CA -0.052 44.631 45.100 -0.695 0.000 0.765 141 G HN 0.283 nan 8.290 nan 0.000 0.546 142 D N 0.378 120.367 120.400 -0.685 0.000 2.380 142 D HA 0.290 4.930 4.640 0.000 0.000 0.230 142 D C -0.210 175.792 176.300 -0.496 0.000 1.154 142 D CA -0.865 52.863 54.000 -0.453 0.000 0.859 142 D CB 0.537 41.198 40.800 -0.232 0.000 1.045 142 D HN 0.022 nan 8.370 nan 0.000 0.495 143 F N 2.226 122.151 119.950 -0.041 0.000 2.645 143 F HA 0.253 4.780 4.527 -0.000 0.000 0.300 143 F C 1.177 176.965 175.800 -0.019 0.000 1.115 143 F CA -0.376 57.601 58.000 -0.038 0.000 1.355 143 F CB -0.041 38.932 39.000 -0.046 0.000 1.026 143 F HN -0.016 nan 8.300 nan 0.000 0.536 144 R N 2.304 122.851 120.500 0.079 0.000 2.389 144 R HA 0.212 4.552 4.340 0.000 0.000 0.295 144 R C -2.124 174.203 176.300 0.046 0.000 1.075 144 R CA -1.587 54.548 56.100 0.058 0.000 1.005 144 R CB -0.035 30.281 30.300 0.027 0.000 0.987 144 R HN -0.036 nan 8.270 nan 0.000 0.452 145 P HA 0.019 nan 4.420 nan 0.000 0.272 145 P C -0.323 176.991 177.300 0.023 0.000 1.240 145 P CA -0.371 62.752 63.100 0.037 0.000 0.791 145 P CB 0.662 32.383 31.700 0.034 0.000 0.978 151 E N 0.602 120.804 120.200 0.004 0.000 3.622 151 E HA 0.359 4.709 4.350 0.000 0.000 0.134 151 E C -2.853 173.749 176.600 0.003 0.000 1.764 151 E CA 0.559 56.960 56.400 0.002 0.000 1.042 151 E CB 0.027 29.727 29.700 -0.000 0.000 1.968 151 E HN 0.758 nan 8.360 nan 0.000 0.821 152 P HA 0.365 nan 4.420 nan 0.000 0.292 152 P C -0.442 176.858 177.300 0.001 0.000 1.326 152 P CA -0.225 62.876 63.100 0.002 0.000 0.787 152 P CB 0.635 32.336 31.700 0.001 0.000 0.903 153 C N 0.022 119.323 119.300 0.002 0.000 3.919 153 C HA 0.546 5.006 4.460 0.000 0.000 0.175 153 C C 1.208 176.193 174.990 -0.007 0.000 4.161 153 C CA 0.609 59.625 59.018 -0.004 0.000 1.299 153 C CB -0.019 27.718 27.740 -0.004 0.000 3.855 153 C HN 0.465 nan 8.230 nan 0.000 0.468 154 S N -0.043 115.653 115.700 -0.006 0.000 4.158 154 S HA -0.370 4.100 4.470 0.000 0.000 0.385 154 S C 1.240 175.804 174.600 -0.059 0.000 1.865 154 S CA 1.976 60.169 58.200 -0.012 0.000 4.249 154 S CB -2.193 61.016 63.200 0.015 0.000 0.204 154 S HN 2.133 nan 8.310 nan 0.000 0.454 155 C N 0.453 119.691 119.300 -0.103 0.000 5.885 155 C HA -0.278 4.182 4.460 0.000 0.000 0.328 155 C C 1.646 176.412 174.990 -0.372 0.000 2.433 155 C CA 0.035 58.936 59.018 -0.195 0.000 2.197 155 C CB -1.732 25.927 27.740 -0.136 0.000 3.236 155 C HN 1.132 nan 8.230 nan 0.000 0.260 156 C N 1.563 120.708 119.300 -0.258 0.000 2.401 156 C HA 0.603 5.064 4.460 0.000 0.000 0.365 156 C C 0.048 174.946 174.990 -0.153 0.000 1.250 156 C CA -0.129 58.718 59.018 -0.286 0.000 2.131 156 C CB -0.628 27.034 27.740 -0.131 0.000 2.445 156 C HN 0.443 nan 8.230 nan 0.000 0.550 157 F N 5.294 125.252 119.950 0.014 0.000 2.405 157 F HA 0.271 4.798 4.527 0.000 0.000 0.358 157 F C 1.172 176.983 175.800 0.019 0.000 1.151 157 F CA -0.637 57.374 58.000 0.019 0.000 1.161 157 F CB 0.334 39.346 39.000 0.020 0.000 1.245 157 F HN 0.432 nan 8.300 nan 0.000 0.545 158 R N 1.465 122.093 120.500 0.213 0.000 2.522 158 R HA 0.003 4.343 4.340 0.000 0.000 0.284 158 R C 1.235 177.601 176.300 0.110 0.000 1.032 158 R CA 0.213 56.387 56.100 0.123 0.000 1.049 158 R CB -0.064 30.290 30.300 0.091 0.000 0.956 158 R HN 0.657 nan 8.270 nan 0.000 0.422 159 T N -1.018 113.583 114.554 0.078 0.000 3.051 159 T HA -0.057 4.293 4.350 0.000 0.000 0.269 159 T C 1.597 176.316 174.700 0.032 0.000 1.127 159 T CA 0.942 63.075 62.100 0.054 0.000 1.107 159 T CB 0.088 68.983 68.868 0.045 0.000 0.898 159 T HN 0.684 nan 8.240 nan 0.000 0.517 160 G N 0.582 109.398 108.800 0.027 0.000 3.181 160 G HA2 0.520 4.480 3.960 0.000 0.000 0.219 160 G HA3 0.520 4.480 3.960 0.000 0.000 0.219 160 G C 0.326 175.225 174.900 -0.000 0.000 1.182 160 G CA -0.065 45.038 45.100 0.005 0.000 0.791 160 G HN 0.780 nan 8.290 nan 0.000 0.537 161 A N 0.414 123.251 122.820 0.028 0.000 2.276 161 A HA 0.643 4.963 4.320 0.000 0.000 0.316 161 A C 1.006 178.611 177.584 0.036 0.000 1.229 161 A CA -0.578 51.487 52.037 0.046 0.000 0.851 161 A CB 0.822 19.881 19.000 0.098 0.000 1.165 161 A HN 0.008 nan 8.150 nan 0.000 0.513 162 I N 1.247 121.847 120.570 0.051 0.000 2.286 162 I HA -0.012 4.158 4.170 0.000 0.000 0.245 162 I C 1.499 177.643 176.117 0.045 0.000 1.104 162 I CA 1.786 63.109 61.300 0.038 0.000 1.397 162 I CB -1.326 36.664 38.000 -0.018 0.000 1.072 162 I HN 0.680 nan 8.210 nan 0.000 0.417 163 A N 1.043 123.905 122.820 0.070 0.000 2.437 163 A HA 0.810 5.131 4.320 0.000 0.000 0.288 163 A C -0.143 177.441 177.584 0.001 0.000 1.201 163 A CA -0.620 51.426 52.037 0.016 0.000 0.795 163 A CB 1.556 20.543 19.000 -0.023 0.000 1.359 163 A HN 0.286 nan 8.150 nan 0.000 0.435 164 R N -0.638 119.856 120.500 -0.010 0.000 2.725 164 R HA 0.699 5.039 4.340 0.000 0.000 0.277 164 R C -1.929 174.407 176.300 0.060 0.000 0.987 164 R CA -0.732 55.397 56.100 0.048 0.000 0.901 164 R CB 1.552 31.864 30.300 0.021 0.000 1.207 164 R HN 0.288 nan 8.270 nan 0.000 0.463 165 V N 2.866 122.827 119.914 0.078 0.000 2.348 165 V HA 0.382 4.502 4.120 0.000 0.000 0.270 165 V C -0.096 176.050 176.094 0.088 0.000 1.037 165 V CA -0.407 61.922 62.300 0.048 0.000 0.872 165 V CB 0.992 32.819 31.823 0.007 0.000 1.002 165 V HN 0.626 nan 8.190 nan 0.000 0.464 166 V N 1.698 121.684 119.914 0.120 0.000 2.808 166 V HA 0.796 4.916 4.120 0.000 0.000 0.308 166 V C -1.190 175.019 176.094 0.191 0.000 1.099 166 V CA -0.893 61.489 62.300 0.136 0.000 0.920 166 V CB 2.215 34.117 31.823 0.132 0.000 1.014 166 V HN 0.720 nan 8.190 nan 0.000 0.425 167 D N 1.419 121.904 120.400 0.141 0.000 2.490 167 D HA 0.847 5.487 4.640 0.000 0.000 0.232 167 D C 0.230 176.604 176.300 0.123 0.000 1.053 167 D CA 0.603 54.702 54.000 0.165 0.000 0.914 167 D CB 1.798 42.649 40.800 0.085 0.000 1.431 167 D HN 1.507 nan 8.370 nan 0.000 0.483 168 G N -1.010 107.867 108.800 0.130 0.000 2.712 168 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 168 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 168 G C 0.670 175.598 174.900 0.048 0.000 1.321 168 G CA -0.450 44.696 45.100 0.076 0.000 0.813 168 G HN 0.424 nan 8.290 nan 0.000 0.599 169 V N 1.254 121.185 119.914 0.029 0.000 2.233 169 V HA -0.174 3.946 4.120 0.000 0.000 0.247 169 V C 2.746 178.840 176.094 0.000 0.000 1.050 169 V CA 2.795 65.099 62.300 0.006 0.000 1.010 169 V CB -0.560 31.267 31.823 0.006 0.000 0.637 169 V HN 0.801 nan 8.190 nan 0.000 0.444 170 E N 0.653 120.858 120.200 0.008 0.000 2.153 170 E HA -0.159 4.191 4.350 0.000 0.000 0.194 170 E C 2.312 178.919 176.600 0.011 0.000 0.988 170 E CA 1.424 57.828 56.400 0.007 0.000 0.811 170 E CB -0.802 28.904 29.700 0.010 0.000 0.746 170 E HN 0.638 nan 8.360 nan 0.000 0.466 171 G N 1.713 110.526 108.800 0.022 0.000 2.433 171 G HA2 -0.240 3.720 3.960 0.000 0.000 0.216 171 G HA3 -0.240 3.720 3.960 0.000 0.000 0.216 171 G C 1.839 176.754 174.900 0.025 0.000 1.186 171 G CA 1.849 46.970 45.100 0.034 0.000 0.779 171 G HN 0.324 nan 8.290 nan 0.000 0.543 172 V N -1.713 118.202 119.914 0.003 0.000 2.548 172 V HA 0.116 4.236 4.120 0.000 0.000 0.249 172 V C 2.485 178.552 176.094 -0.045 0.000 1.055 172 V CA 1.689 63.963 62.300 -0.042 0.000 1.065 172 V CB -0.529 31.204 31.823 -0.149 0.000 0.681 172 V HN 0.250 nan 8.190 nan 0.000 0.462 173 R N -0.309 120.171 120.500 -0.032 0.000 2.083 173 R HA -0.120 4.220 4.340 0.000 0.000 0.237 173 R C 2.322 178.614 176.300 -0.014 0.000 1.137 173 R CA 2.106 58.190 56.100 -0.026 0.000 0.951 173 R CB -0.563 29.727 30.300 -0.017 0.000 0.851 173 R HN 0.535 nan 8.270 nan 0.000 0.434 174 L N 0.603 121.826 121.223 -0.001 0.000 2.046 174 L HA -0.097 4.243 4.340 0.000 0.000 0.208 174 L C 2.220 179.098 176.870 0.013 0.000 1.077 174 L CA 2.078 56.922 54.840 0.008 0.000 0.747 174 L CB -0.753 41.317 42.059 0.018 0.000 0.896 174 L HN 0.162 nan 8.230 nan 0.000 0.432 175 A N -1.393 121.436 122.820 0.015 0.000 1.933 175 A HA -0.127 4.193 4.320 0.000 0.000 0.218 175 A C 2.282 179.861 177.584 -0.009 0.000 1.175 175 A CA 1.837 53.887 52.037 0.022 0.000 0.628 175 A CB -1.006 18.011 19.000 0.029 0.000 0.814 175 A HN 0.294 nan 8.150 nan 0.000 0.444 176 V N 0.019 119.918 119.914 -0.026 0.000 2.237 176 V HA -0.300 3.820 4.120 0.000 0.000 0.245 176 V C 2.615 178.691 176.094 -0.030 0.000 1.046 176 V CA 2.343 64.619 62.300 -0.039 0.000 1.007 176 V CB -0.827 30.968 31.823 -0.048 0.000 0.638 176 V HN 0.555 nan 8.190 nan 0.000 0.445 177 R N -0.278 120.209 120.500 -0.022 0.000 2.119 177 R HA -0.257 4.083 4.340 0.000 0.000 0.246 177 R C 2.289 178.578 176.300 -0.017 0.000 1.146 177 R CA 2.177 58.266 56.100 -0.018 0.000 0.962 177 R CB -0.393 29.900 30.300 -0.012 0.000 0.863 177 R HN 0.643 nan 8.270 nan 0.000 0.442 178 E N -0.023 120.174 120.200 -0.005 0.000 2.051 178 E HA -0.173 4.177 4.350 0.000 0.000 0.192 178 E C 2.005 178.595 176.600 -0.016 0.000 0.991 178 E CA 0.902 57.305 56.400 0.005 0.000 0.799 178 E CB 0.077 29.804 29.700 0.046 0.000 0.748 178 E HN 0.263 nan 8.360 nan 0.000 0.449 179 E N 0.411 120.594 120.200 -0.030 0.000 2.152 179 E HA -0.124 4.226 4.350 0.000 0.000 0.192 179 E C 2.106 178.679 176.600 -0.045 0.000 0.983 179 E CA 0.581 56.952 56.400 -0.049 0.000 0.818 179 E CB -0.054 29.607 29.700 -0.065 0.000 0.758 179 E HN 0.301 nan 8.360 nan 0.000 0.467 180 I N 1.143 121.688 120.570 -0.041 0.000 2.202 180 I HA -0.252 3.918 4.170 0.000 0.000 0.242 180 I C 2.727 178.811 176.117 -0.056 0.000 1.091 180 I CA 0.982 62.258 61.300 -0.038 0.000 1.368 180 I CB -0.128 37.853 38.000 -0.032 0.000 1.058 180 I HN 0.042 nan 8.210 nan 0.000 0.410 181 Q N 1.314 121.077 119.800 -0.062 0.000 2.152 181 Q HA -0.263 4.077 4.340 0.000 0.000 0.206 181 Q C 2.006 177.917 176.000 -0.149 0.000 0.985 181 Q CA 1.721 57.469 55.803 -0.091 0.000 0.863 181 Q CB -0.083 28.614 28.738 -0.069 0.000 0.904 181 Q HN 0.473 nan 8.270 nan 0.000 0.422 182 K N -1.333 118.996 120.400 -0.118 0.000 2.362 182 K HA -0.044 4.276 4.320 0.000 0.000 0.200 182 K C 0.885 177.379 176.600 -0.176 0.000 1.046 182 K CA 0.711 56.912 56.287 -0.144 0.000 0.952 182 K CB 0.118 32.583 32.500 -0.059 0.000 0.753 182 K HN 0.443 nan 8.250 nan 0.000 0.466 183 G N 0.636 109.369 108.800 -0.112 0.000 2.141 183 G HA2 -0.169 3.791 3.960 0.000 0.000 0.164 183 G HA3 -0.169 3.791 3.960 0.000 0.000 0.164 183 G C -0.005 174.968 174.900 0.122 0.000 1.009 183 G CA -0.170 44.925 45.100 -0.008 0.000 0.677 183 G HN 0.393 nan 8.290 nan 0.000 0.508 184 A N 0.199 123.047 122.820 0.047 0.000 2.462 184 A HA 0.677 4.997 4.320 0.000 0.000 0.243 184 A C 1.651 179.260 177.584 0.042 0.000 1.076 184 A CA 1.352 53.411 52.037 0.037 0.000 0.773 184 A CB 0.335 19.326 19.000 -0.016 0.000 1.010 184 A HN 1.387 nan 8.150 nan 0.000 0.493 185 T N -0.636 113.954 114.554 0.060 0.000 2.976 185 T HA 0.132 4.482 4.350 0.000 0.000 0.257 185 T C 0.672 175.361 174.700 -0.019 0.000 1.051 185 T CA 0.978 63.133 62.100 0.091 0.000 1.141 185 T CB -0.100 68.911 68.868 0.238 0.000 0.881 185 T HN 0.886 nan 8.240 nan 0.000 0.461 186 Q N 0.391 120.117 119.800 -0.124 0.000 2.553 186 Q HA 0.494 4.834 4.340 0.000 0.000 0.293 186 Q C -1.799 174.046 176.000 -0.259 0.000 1.038 186 Q CA -1.187 54.393 55.803 -0.373 0.000 0.777 186 Q CB 1.377 29.642 28.738 -0.789 0.000 1.487 186 Q HN 0.207 nan 8.270 nan 0.000 0.426 187 I N 1.586 121.978 120.570 -0.297 0.000 2.355 187 I HA 0.366 4.536 4.170 0.000 0.000 0.288 187 I C -0.143 175.897 176.117 -0.129 0.000 0.999 187 I CA -0.597 60.602 61.300 -0.168 0.000 1.163 187 I CB 1.072 38.991 38.000 -0.135 0.000 1.316 187 I HN 0.678 nan 8.210 nan 0.000 0.454 188 K N 8.358 128.716 120.400 -0.068 0.000 2.183 188 K HA 0.672 4.992 4.320 0.000 0.000 0.274 188 K C -0.721 175.901 176.600 0.037 0.000 1.009 188 K CA -0.391 55.894 56.287 -0.002 0.000 0.888 188 K CB 1.136 33.647 32.500 0.019 0.000 1.078 188 K HN 0.671 nan 8.250 nan 0.000 0.459 189 I N 0.486 121.104 120.570 0.079 0.000 2.689 189 I HA 0.476 4.646 4.170 0.000 0.000 0.299 189 I C -0.846 175.392 176.117 0.202 0.000 1.059 189 I CA -1.159 60.220 61.300 0.131 0.000 1.055 189 I CB 2.013 40.059 38.000 0.076 0.000 1.243 189 I HN 0.377 nan 8.210 nan 0.000 0.425 190 M N 4.717 124.458 119.600 0.236 0.000 2.077 190 M HA 0.369 4.849 4.480 0.000 0.000 0.348 190 M C 0.498 176.950 176.300 0.253 0.000 1.252 190 M CA -0.293 55.133 55.300 0.210 0.000 1.096 190 M CB 0.473 33.133 32.600 0.099 0.000 1.568 190 M HN 0.900 nan 8.290 nan 0.000 0.456 191 A N 2.286 125.258 122.820 0.253 0.000 2.390 191 A HA 0.382 4.702 4.320 0.000 0.000 0.232 191 A C 0.766 178.441 177.584 0.152 0.000 1.233 191 A CA 0.177 52.340 52.037 0.209 0.000 0.907 191 A CB 0.344 19.442 19.000 0.164 0.000 0.967 191 A HN 0.737 nan 8.150 nan 0.000 0.512 192 S N -1.746 114.065 115.700 0.185 0.000 2.596 192 S HA 0.590 5.061 4.470 0.000 0.000 0.270 192 S C 0.316 175.016 174.600 0.166 0.000 1.155 192 S CA 0.081 58.366 58.200 0.141 0.000 0.827 192 S CB 0.646 63.902 63.200 0.093 0.000 1.130 192 S HN 0.963 nan 8.310 nan 0.000 0.467 193 G N 0.219 109.097 108.800 0.129 0.000 2.699 193 G HA2 0.511 4.471 3.960 0.000 0.000 0.246 193 G HA3 0.511 4.471 3.960 0.000 0.000 0.246 193 G C 0.487 175.497 174.900 0.183 0.000 1.219 193 G CA 0.147 45.318 45.100 0.118 0.000 0.866 193 G HN 1.226 nan 8.290 nan 0.000 0.572 194 G N -2.201 106.644 108.800 0.076 0.000 3.107 194 G HA2 0.449 4.409 3.960 0.000 0.000 0.233 194 G HA3 0.449 4.409 3.960 0.000 0.000 0.233 194 G C 0.044 175.028 174.900 0.139 0.000 1.168 194 G CA 0.468 45.575 45.100 0.012 0.000 0.801 194 G HN 0.761 nan 8.290 nan 0.000 0.605 195 V N 0.101 120.169 119.914 0.256 0.000 3.219 195 V HA 0.290 4.410 4.120 0.000 0.000 0.240 195 V C 2.520 178.775 176.094 0.269 0.000 1.222 195 V CA 1.380 63.809 62.300 0.214 0.000 1.181 195 V CB 0.616 32.554 31.823 0.192 0.000 0.941 195 V HN 0.793 nan 8.190 nan 0.000 0.471 196 A N 0.745 123.817 122.820 0.420 0.000 2.251 196 A HA 0.233 4.553 4.320 0.000 0.000 0.209 196 A C 1.195 178.949 177.584 0.283 0.000 1.187 196 A CA 0.739 52.943 52.037 0.278 0.000 0.823 196 A CB -0.232 18.898 19.000 0.217 0.000 0.846 196 A HN 0.574 nan 8.150 nan 0.000 0.486 197 S N -0.819 115.052 115.700 0.285 0.000 2.593 197 S HA 0.541 5.011 4.470 0.000 0.000 0.297 197 S C -1.850 172.847 174.600 0.161 0.000 1.112 197 S CA -1.318 57.007 58.200 0.209 0.000 1.043 197 S CB 1.787 64.987 63.200 0.001 0.000 1.054 197 S HN 0.087 nan 8.310 nan 0.000 0.516 198 P HA -0.054 nan 4.420 nan 0.000 0.215 198 P C 1.286 178.621 177.300 0.058 0.000 1.157 198 P CA 1.651 64.806 63.100 0.091 0.000 0.859 198 P CB -0.374 31.378 31.700 0.087 0.000 0.786 199 T N -3.809 110.767 114.554 0.036 0.000 3.022 199 T HA 0.048 4.398 4.350 0.000 0.000 0.250 199 T C 0.449 175.160 174.700 0.017 0.000 1.060 199 T CA -0.289 61.822 62.100 0.018 0.000 1.013 199 T CB -0.516 68.351 68.868 -0.001 0.000 0.982 199 T HN 0.130 nan 8.240 nan 0.000 0.508 200 D N 2.916 123.335 120.400 0.032 0.000 2.392 200 D HA 0.325 4.965 4.640 0.000 0.000 0.228 200 D C -2.857 173.470 176.300 0.044 0.000 1.074 200 D CA -2.065 51.955 54.000 0.033 0.000 0.838 200 D CB 1.812 42.634 40.800 0.038 0.000 1.067 200 D HN 0.142 nan 8.370 nan 0.000 0.511 201 P HA 0.009 nan 4.420 nan 0.000 0.269 201 P C 1.113 178.427 177.300 0.023 0.000 1.217 201 P CA -0.479 62.630 63.100 0.016 0.000 0.783 201 P CB 1.499 33.201 31.700 0.004 0.000 0.898 202 I N 0.194 120.764 120.570 0.001 0.000 2.716 202 I HA -0.102 4.068 4.170 0.000 0.000 0.259 202 I C 1.764 177.901 176.117 0.033 0.000 1.172 202 I CA 1.168 62.474 61.300 0.011 0.000 1.478 202 I CB -0.285 37.639 38.000 -0.126 0.000 1.104 202 I HN 0.268 nan 8.210 nan 0.000 0.439 203 A N 2.035 124.857 122.820 0.004 0.000 1.972 203 A HA -0.156 4.164 4.320 0.000 0.000 0.219 203 A C 1.042 178.641 177.584 0.026 0.000 1.169 203 A CA 1.213 53.255 52.037 0.009 0.000 0.635 203 A CB -1.099 17.896 19.000 -0.007 0.000 0.810 203 A HN 0.800 nan 8.150 nan 0.000 0.446 204 N N -0.024 118.693 118.700 0.028 0.000 2.508 204 N HA 0.354 5.094 4.740 0.000 0.000 0.285 204 N C -0.092 175.441 175.510 0.038 0.000 1.144 204 N CA 0.117 53.183 53.050 0.027 0.000 0.978 204 N CB 0.727 39.223 38.487 0.015 0.000 1.180 204 N HN 0.198 nan 8.380 nan 0.000 0.484 205 T N -1.407 113.167 114.554 0.033 0.000 2.874 205 T HA 0.234 4.584 4.350 0.000 0.000 0.281 205 T C -0.250 174.468 174.700 0.029 0.000 0.994 205 T CA -0.599 61.527 62.100 0.043 0.000 1.015 205 T CB 1.263 70.158 68.868 0.044 0.000 1.028 205 T HN 0.606 nan 8.240 nan 0.000 0.523 206 Q N 0.269 120.095 119.800 0.044 0.000 2.372 206 Q HA 0.502 4.842 4.340 0.000 0.000 0.273 206 Q C -1.615 174.434 176.000 0.081 0.000 1.078 206 Q CA -0.900 54.893 55.803 -0.015 0.000 0.806 206 Q CB 2.302 30.997 28.738 -0.071 0.000 1.332 206 Q HN 0.845 nan 8.270 nan 0.000 0.435 207 Y N -0.745 119.568 120.300 0.023 0.000 2.529 207 Y HA -0.302 4.248 4.550 0.000 0.000 0.022 207 Y C 0.322 176.232 175.900 0.017 0.000 1.725 207 Y CA 0.234 58.345 58.100 0.018 0.000 1.403 207 Y CB -0.402 38.070 38.460 0.020 0.000 2.050 207 Y HN 0.781 nan 8.280 nan 0.000 0.257 208 S N 1.451 117.283 115.700 0.220 0.000 2.608 208 S HA 0.188 4.658 4.470 0.000 0.000 0.261 208 S C 0.808 175.464 174.600 0.092 0.000 1.314 208 S CA 0.008 58.280 58.200 0.119 0.000 0.992 208 S CB 1.414 64.668 63.200 0.090 0.000 0.935 208 S HN 0.682 nan 8.310 nan 0.000 0.564 209 E N 0.525 120.759 120.200 0.057 0.000 2.106 209 E HA -0.138 4.212 4.350 0.000 0.000 0.192 209 E C 1.234 177.845 176.600 0.018 0.000 0.984 209 E CA 1.169 57.589 56.400 0.035 0.000 0.806 209 E CB -0.206 29.510 29.700 0.027 0.000 0.750 209 E HN 0.654 nan 8.360 nan 0.000 0.458 210 D N 1.222 121.635 120.400 0.022 0.000 2.123 210 D HA -0.167 4.473 4.640 0.000 0.000 0.196 210 D C 1.778 178.072 176.300 -0.009 0.000 0.992 210 D CA 1.086 55.092 54.000 0.010 0.000 0.833 210 D CB -0.123 40.687 40.800 0.017 0.000 0.954 210 D HN 0.256 nan 8.370 nan 0.000 0.455 211 E N 0.361 120.558 120.200 -0.005 0.000 2.038 211 E HA -0.136 4.214 4.350 0.000 0.000 0.195 211 E C 2.393 178.906 176.600 -0.146 0.000 1.000 211 E CA 0.684 57.040 56.400 -0.073 0.000 0.803 211 E CB -0.073 29.603 29.700 -0.041 0.000 0.750 211 E HN 0.293 nan 8.360 nan 0.000 0.448 212 I N 0.515 121.021 120.570 -0.106 0.000 2.286 212 I HA -0.263 3.907 4.170 0.000 0.000 0.248 212 I C 2.505 178.582 176.117 -0.067 0.000 1.115 212 I CA 1.005 62.242 61.300 -0.104 0.000 1.392 212 I CB -0.260 37.722 38.000 -0.031 0.000 1.065 212 I HN 0.045 nan 8.210 nan 0.000 0.418 213 R N 0.752 121.228 120.500 -0.039 0.000 2.075 213 R HA -0.107 4.233 4.340 0.000 0.000 0.232 213 R C 2.507 178.788 176.300 -0.031 0.000 1.126 213 R CA 1.440 57.526 56.100 -0.023 0.000 0.963 213 R CB -0.374 29.921 30.300 -0.008 0.000 0.858 213 R HN 0.363 nan 8.270 nan 0.000 0.435 214 A N 1.240 124.034 122.820 -0.044 0.000 1.902 214 A HA -0.149 4.171 4.320 0.000 0.000 0.217 214 A C 2.120 179.670 177.584 -0.056 0.000 1.181 214 A CA 1.227 53.239 52.037 -0.043 0.000 0.623 214 A CB -0.491 18.482 19.000 -0.045 0.000 0.818 214 A HN 0.189 nan 8.150 nan 0.000 0.443 215 I N -0.516 120.000 120.570 -0.090 0.000 2.163 215 I HA -0.232 3.938 4.170 0.000 0.000 0.243 215 I C 2.353 178.434 176.117 -0.061 0.000 1.085 215 I CA 1.259 62.500 61.300 -0.098 0.000 1.347 215 I CB -0.467 37.441 38.000 -0.154 0.000 1.044 215 I HN 0.155 nan 8.210 nan 0.000 0.408 216 V N 0.897 120.785 119.914 -0.044 0.000 2.295 216 V HA -0.289 3.831 4.120 0.000 0.000 0.246 216 V C 2.127 178.219 176.094 -0.004 0.000 1.049 216 V CA 2.081 64.372 62.300 -0.014 0.000 1.024 216 V CB -0.702 31.122 31.823 0.002 0.000 0.648 216 V HN 0.382 nan 8.190 nan 0.000 0.447 217 D N -0.094 120.301 120.400 -0.007 0.000 2.126 217 D HA -0.186 4.454 4.640 0.000 0.000 0.190 217 D C 2.248 178.545 176.300 -0.005 0.000 1.001 217 D CA 1.388 55.387 54.000 -0.002 0.000 0.841 217 D CB -0.310 40.487 40.800 -0.005 0.000 0.949 217 D HN 0.387 nan 8.370 nan 0.000 0.446 218 E N 0.438 120.628 120.200 -0.017 0.000 2.085 218 E HA -0.123 4.227 4.350 0.000 0.000 0.194 218 E C 2.101 178.690 176.600 -0.019 0.000 0.994 218 E CA 1.018 57.407 56.400 -0.019 0.000 0.801 218 E CB -0.436 29.246 29.700 -0.029 0.000 0.743 218 E HN 0.285 nan 8.360 nan 0.000 0.453 219 A N 1.219 124.025 122.820 -0.024 0.000 1.930 219 A HA -0.189 4.131 4.320 0.000 0.000 0.217 219 A C 2.052 179.639 177.584 0.005 0.000 1.175 219 A CA 1.440 53.462 52.037 -0.026 0.000 0.627 219 A CB -0.357 18.615 19.000 -0.046 0.000 0.815 219 A HN 0.206 nan 8.150 nan 0.000 0.443 220 E N -0.387 119.823 120.200 0.017 0.000 2.107 220 E HA -0.031 4.319 4.350 0.000 0.000 0.191 220 E C 2.214 178.829 176.600 0.024 0.000 0.982 220 E CA 0.719 57.139 56.400 0.033 0.000 0.809 220 E CB -0.234 29.487 29.700 0.035 0.000 0.756 220 E HN 0.599 nan 8.360 nan 0.000 0.459 221 A N 1.085 123.913 122.820 0.013 0.000 2.125 221 A HA -0.036 4.284 4.320 0.000 0.000 0.219 221 A C 2.021 179.611 177.584 0.010 0.000 1.156 221 A CA 1.411 53.453 52.037 0.010 0.000 0.671 221 A CB -0.191 18.811 19.000 0.003 0.000 0.794 221 A HN 0.223 nan 8.150 nan 0.000 0.459 222 A N -0.330 122.496 122.820 0.010 0.000 2.507 222 A HA 0.304 4.624 4.320 0.000 0.000 0.270 222 A C 0.429 178.028 177.584 0.026 0.000 1.318 222 A CA -0.214 51.830 52.037 0.011 0.000 0.924 222 A CB -0.467 18.533 19.000 -0.001 0.000 1.061 222 A HN 0.434 nan 8.150 nan 0.000 0.516 223 N N 0.828 119.548 118.700 0.034 0.000 2.702 223 N HA -0.161 4.579 4.740 0.000 0.000 0.261 223 N C 0.160 175.714 175.510 0.074 0.000 0.965 223 N CA 1.666 54.747 53.050 0.051 0.000 0.795 223 N CB -0.947 37.568 38.487 0.046 0.000 0.909 223 N HN 0.621 nan 8.380 nan 0.000 0.546 224 T N -1.317 113.281 114.554 0.073 0.000 2.645 224 T HA 0.705 5.055 4.350 0.000 0.000 0.273 224 T C -1.048 173.734 174.700 0.136 0.000 0.960 224 T CA -0.614 61.553 62.100 0.111 0.000 1.051 224 T CB 1.243 70.113 68.868 0.002 0.000 1.366 224 T HN 0.256 nan 8.240 nan 0.000 0.536 225 Y N -1.476 118.819 120.300 -0.009 0.000 2.790 225 Y HA 0.857 5.407 4.550 0.000 0.000 0.323 225 Y C -1.432 174.462 175.900 -0.011 0.000 1.230 225 Y CA -1.278 56.816 58.100 -0.009 0.000 1.121 225 Y CB 0.710 39.159 38.460 -0.019 0.000 1.328 225 Y HN 0.311 nan 8.280 nan 0.000 0.514 226 V N 3.708 123.658 119.914 0.059 0.000 2.448 226 V HA 0.364 4.484 4.120 0.000 0.000 0.295 226 V C 0.019 176.178 176.094 0.107 0.000 1.025 226 V CA -0.923 61.357 62.300 -0.034 0.000 0.859 226 V CB 1.297 33.123 31.823 0.004 0.000 0.988 226 V HN 0.830 nan 8.190 nan 0.000 0.431 227 M N 3.441 123.053 119.600 0.021 0.000 2.277 227 M HA 0.912 5.392 4.480 0.000 0.000 0.350 227 M C -0.348 176.010 176.300 0.098 0.000 1.180 227 M CA -0.251 55.118 55.300 0.116 0.000 1.103 227 M CB 1.532 34.199 32.600 0.111 0.000 1.577 227 M HN 0.585 nan 8.290 nan 0.000 0.459 228 A N 1.609 124.499 122.820 0.118 0.000 2.359 228 A HA 0.451 4.771 4.320 0.000 0.000 0.303 228 A C -1.368 176.314 177.584 0.162 0.000 1.066 228 A CA -0.672 51.447 52.037 0.135 0.000 0.730 228 A CB 0.605 19.666 19.000 0.102 0.000 1.211 228 A HN 1.026 nan 8.150 nan 0.000 0.439 229 H N 2.037 121.174 119.070 0.113 0.000 2.819 229 H HA 0.583 5.139 4.556 0.000 0.000 0.303 229 H C -0.102 175.205 175.328 -0.034 0.000 1.058 229 H CA 0.794 56.900 56.048 0.096 0.000 1.471 229 H CB 0.527 30.400 29.762 0.185 0.000 1.480 229 H HN 0.941 nan 8.280 nan 0.000 0.517 230 A N 5.070 127.642 122.820 -0.412 0.000 2.491 230 A HA 0.281 4.601 4.320 0.000 0.000 0.293 230 A C -1.397 175.933 177.584 -0.425 0.000 1.047 230 A CA -0.734 51.118 52.037 -0.309 0.000 0.735 230 A CB 0.347 19.306 19.000 -0.068 0.000 1.281 230 A HN 0.717 nan 8.150 nan 0.000 0.398 231 Y N 1.315 121.526 120.300 -0.148 0.000 2.259 231 Y HA 0.128 4.678 4.550 -0.000 0.000 0.285 231 Y C 2.203 178.071 175.900 -0.054 0.000 1.130 231 Y CA 1.554 59.585 58.100 -0.115 0.000 1.144 231 Y CB -0.352 38.020 38.460 -0.147 0.000 1.093 231 Y HN 0.730 nan 8.280 nan 0.000 0.507 232 T N -1.064 113.571 114.554 0.134 0.000 2.898 232 T HA 0.230 4.580 4.350 0.000 0.000 0.301 232 T C 1.648 176.376 174.700 0.045 0.000 1.049 232 T CA -0.021 62.118 62.100 0.065 0.000 1.095 232 T CB 1.310 70.204 68.868 0.043 0.000 0.976 232 T HN 0.444 nan 8.240 nan 0.000 0.539 233 G N 1.036 109.852 108.800 0.027 0.000 2.442 233 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 233 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 233 G C 1.530 176.444 174.900 0.023 0.000 1.141 233 G CA 0.849 45.963 45.100 0.022 0.000 0.763 233 G HN 0.879 nan 8.290 nan 0.000 0.554 234 R N 0.544 121.057 120.500 0.020 0.000 2.080 234 R HA -0.011 4.329 4.340 0.000 0.000 0.236 234 R C 2.886 179.201 176.300 0.026 0.000 1.137 234 R CA 1.668 57.780 56.100 0.020 0.000 0.943 234 R CB -0.491 29.820 30.300 0.018 0.000 0.846 234 R HN 0.266 nan 8.270 nan 0.000 0.431 235 A N 1.045 123.884 122.820 0.032 0.000 1.883 235 A HA -0.160 4.160 4.320 0.000 0.000 0.217 235 A C 2.211 179.814 177.584 0.032 0.000 1.186 235 A CA 1.628 53.688 52.037 0.038 0.000 0.624 235 A CB -0.573 18.454 19.000 0.044 0.000 0.822 235 A HN 0.402 nan 8.150 nan 0.000 0.444 236 I N -0.270 120.318 120.570 0.030 0.000 2.142 236 I HA -0.307 3.863 4.170 0.000 0.000 0.240 236 I C 3.025 179.152 176.117 0.017 0.000 1.078 236 I CA 1.128 62.446 61.300 0.030 0.000 1.343 236 I CB -0.416 37.616 38.000 0.053 0.000 1.046 236 I HN 0.367 nan 8.210 nan 0.000 0.405 237 A N 1.780 124.609 122.820 0.015 0.000 1.873 237 A HA -0.277 4.043 4.320 0.000 0.000 0.218 237 A C 2.379 179.950 177.584 -0.022 0.000 1.193 237 A CA 2.481 54.517 52.037 -0.002 0.000 0.629 237 A CB -0.842 18.163 19.000 0.010 0.000 0.826 237 A HN 0.549 nan 8.150 nan 0.000 0.447 238 R N -0.648 119.851 120.500 -0.002 0.000 2.092 238 R HA 0.149 4.489 4.340 0.000 0.000 0.231 238 R C 2.247 178.542 176.300 -0.009 0.000 1.119 238 R CA 1.301 57.399 56.100 -0.002 0.000 0.970 238 R CB -0.732 29.578 30.300 0.017 0.000 0.864 238 R HN 0.335 nan 8.270 nan 0.000 0.440 239 A N 1.746 124.568 122.820 0.004 0.000 1.883 239 A HA -0.106 4.214 4.320 0.000 0.000 0.217 239 A C 2.447 180.013 177.584 -0.029 0.000 1.186 239 A CA 1.870 53.911 52.037 0.007 0.000 0.624 239 A CB -0.663 18.354 19.000 0.029 0.000 0.822 239 A HN 0.172 nan 8.150 nan 0.000 0.444 240 V N -0.007 119.868 119.914 -0.064 0.000 2.358 240 V HA -0.221 3.899 4.120 0.000 0.000 0.246 240 V C 2.560 178.481 176.094 -0.287 0.000 1.047 240 V CA 1.939 64.146 62.300 -0.154 0.000 1.035 240 V CB -0.866 30.855 31.823 -0.169 0.000 0.658 240 V HN 0.479 nan 8.190 nan 0.000 0.452 241 R N -0.736 119.630 120.500 -0.224 0.000 2.159 241 R HA -0.171 4.169 4.340 0.000 0.000 0.237 241 R C 2.186 178.435 176.300 -0.084 0.000 1.131 241 R CA 1.762 57.757 56.100 -0.175 0.000 0.982 241 R CB -0.647 29.612 30.300 -0.068 0.000 0.868 241 R HN 0.476 nan 8.270 nan 0.000 0.453 242 C N -1.396 117.869 119.300 -0.058 0.000 2.533 242 C HA 0.199 4.659 4.460 0.000 0.000 0.272 242 C C 1.484 176.466 174.990 -0.012 0.000 1.371 242 C CA 0.736 59.742 59.018 -0.021 0.000 1.758 242 C CB -0.017 27.717 27.740 -0.010 0.000 1.972 242 C HN 0.789 nan 8.230 nan 0.000 0.522 243 G N 0.480 109.265 108.800 -0.025 0.000 2.147 243 G HA2 -0.100 3.860 3.960 0.000 0.000 0.128 243 G HA3 -0.100 3.860 3.960 0.000 0.000 0.128 243 G C 0.044 174.966 174.900 0.037 0.000 1.026 243 G CA 0.122 45.228 45.100 0.010 0.000 0.693 243 G HN 0.857 nan 8.290 nan 0.000 0.499 244 V N -1.180 118.751 119.914 0.028 0.000 2.715 244 V HA 0.657 4.777 4.120 0.000 0.000 0.299 244 V C 1.409 177.563 176.094 0.100 0.000 1.054 244 V CA 0.676 63.018 62.300 0.070 0.000 1.077 244 V CB 1.494 33.353 31.823 0.060 0.000 0.972 244 V HN 0.390 nan 8.190 nan 0.000 0.484 245 R N 2.406 123.007 120.500 0.167 0.000 2.128 245 R HA 0.154 4.494 4.340 0.000 0.000 0.211 245 R C 1.026 177.444 176.300 0.196 0.000 1.067 245 R CA 0.998 57.202 56.100 0.173 0.000 1.010 245 R CB 0.165 30.544 30.300 0.133 0.000 0.922 245 R HN 1.001 nan 8.270 nan 0.000 0.457 246 T N -1.436 113.229 114.554 0.184 0.000 2.912 246 T HA 0.518 4.868 4.350 0.000 0.000 0.288 246 T C -0.352 174.409 174.700 0.103 0.000 1.030 246 T CA -0.894 61.293 62.100 0.146 0.000 1.020 246 T CB 1.782 70.703 68.868 0.089 0.000 1.056 246 T HN -0.094 nan 8.240 nan 0.000 0.480 247 I N 2.479 123.079 120.570 0.051 0.000 2.436 247 I HA 0.401 4.571 4.170 0.000 0.000 0.289 247 I C -0.196 175.889 176.117 -0.054 0.000 1.010 247 I CA -0.781 60.524 61.300 0.009 0.000 1.098 247 I CB 1.962 39.961 38.000 -0.002 0.000 1.266 247 I HN 0.759 nan 8.210 nan 0.000 0.434 248 E N 6.400 126.559 120.200 -0.068 0.000 2.249 248 E HA 0.354 4.704 4.350 0.000 0.000 0.280 248 E C 0.408 176.799 176.600 -0.349 0.000 1.016 248 E CA -0.303 55.942 56.400 -0.258 0.000 0.830 248 E CB 1.171 30.754 29.700 -0.195 0.000 1.081 248 E HN 0.563 nan 8.360 nan 0.000 0.395 249 H N 1.985 120.928 119.070 -0.212 0.000 2.951 249 H HA -0.286 4.270 4.556 0.000 0.000 0.089 249 H C 1.061 176.368 175.328 -0.036 0.000 0.614 249 H CA 1.329 57.297 56.048 -0.133 0.000 1.649 249 H CB -1.415 28.172 29.762 -0.292 0.000 1.877 249 H HN 0.849 nan 8.280 nan 0.000 0.918 250 G N 1.811 110.646 108.800 0.058 0.000 2.176 250 G HA2 -0.353 3.607 3.960 0.000 0.000 0.252 250 G HA3 -0.353 3.607 3.960 0.000 0.000 0.252 250 G C 0.647 175.700 174.900 0.255 0.000 1.024 250 G CA 1.135 46.335 45.100 0.166 0.000 0.755 250 G HN 0.608 nan 8.290 nan 0.000 0.507 251 N N -0.301 118.562 118.700 0.272 0.000 2.272 251 N HA -0.011 4.729 4.740 0.000 0.000 0.185 251 N C 1.541 177.072 175.510 0.035 0.000 1.014 251 N CA 1.303 54.433 53.050 0.133 0.000 0.870 251 N CB -0.095 38.398 38.487 0.009 0.000 0.975 251 N HN 0.602 nan 8.380 nan 0.000 0.433 252 L N 0.494 121.755 121.223 0.064 0.000 3.168 252 L HA 0.324 4.664 4.340 0.000 0.000 0.277 252 L C -0.452 176.410 176.870 -0.013 0.000 1.308 252 L CA -0.561 54.275 54.840 -0.007 0.000 0.976 252 L CB 0.267 42.317 42.059 -0.015 0.000 1.383 252 L HN -0.138 nan 8.230 nan 0.000 0.572 253 V N -2.291 117.596 119.914 -0.045 0.000 2.963 253 V HA 0.185 4.305 4.120 0.000 0.000 0.306 253 V C 0.129 176.162 176.094 -0.103 0.000 1.077 253 V CA -0.688 61.564 62.300 -0.080 0.000 1.124 253 V CB 0.382 32.080 31.823 -0.208 0.000 0.987 253 V HN 0.435 nan 8.190 nan 0.000 0.487 254 D N 1.627 121.984 120.400 -0.071 0.000 2.440 254 D HA 0.314 4.954 4.640 0.000 0.000 0.258 254 D C 0.949 177.203 176.300 -0.076 0.000 1.092 254 D CA -0.465 53.492 54.000 -0.072 0.000 1.016 254 D CB 0.672 41.448 40.800 -0.041 0.000 1.141 254 D HN 0.635 nan 8.370 nan 0.000 0.552 255 E N 0.136 120.296 120.200 -0.067 0.000 2.274 255 E HA -0.184 4.166 4.350 0.000 0.000 0.194 255 E C 1.702 178.292 176.600 -0.017 0.000 0.996 255 E CA 0.911 57.278 56.400 -0.054 0.000 0.840 255 E CB -0.469 29.200 29.700 -0.051 0.000 0.772 255 E HN 0.483 nan 8.360 nan 0.000 0.491 256 A N 2.054 124.869 122.820 -0.009 0.000 1.902 256 A HA 0.031 4.351 4.320 0.000 0.000 0.217 256 A C 2.522 180.123 177.584 0.029 0.000 1.181 256 A CA 2.141 54.185 52.037 0.011 0.000 0.623 256 A CB -0.678 18.326 19.000 0.008 0.000 0.818 256 A HN 0.399 nan 8.150 nan 0.000 0.443 257 A N -0.204 122.630 122.820 0.023 0.000 1.873 257 A HA 0.231 4.551 4.320 0.000 0.000 0.215 257 A C 2.527 180.156 177.584 0.075 0.000 1.186 257 A CA 1.933 53.996 52.037 0.043 0.000 0.616 257 A CB -1.098 17.923 19.000 0.035 0.000 0.823 257 A HN 1.063 nan 8.150 nan 0.000 0.442 258 A N -0.009 122.848 122.820 0.061 0.000 1.917 258 A HA -0.237 4.083 4.320 0.000 0.000 0.219 258 A C 2.138 179.796 177.584 0.123 0.000 1.182 258 A CA 2.209 54.312 52.037 0.110 0.000 0.633 258 A CB -0.553 18.454 19.000 0.011 0.000 0.819 258 A HN 0.570 nan 8.150 nan 0.000 0.448 259 K N -0.832 119.618 120.400 0.084 0.000 2.020 259 K HA -0.193 4.127 4.320 0.000 0.000 0.212 259 K C 1.946 178.633 176.600 0.146 0.000 1.050 259 K CA 1.843 58.193 56.287 0.105 0.000 0.929 259 K CB -0.349 32.191 32.500 0.066 0.000 0.714 259 K HN 0.358 nan 8.250 nan 0.000 0.443 260 L N 1.100 122.400 121.223 0.128 0.000 2.083 260 L HA -0.135 4.205 4.340 0.000 0.000 0.209 260 L C 2.290 179.292 176.870 0.220 0.000 1.083 260 L CA 1.447 56.391 54.840 0.172 0.000 0.752 260 L CB -0.245 41.892 42.059 0.129 0.000 0.899 260 L HN 0.320 nan 8.230 nan 0.000 0.433 261 M N -1.295 118.395 119.600 0.150 0.000 2.115 261 M HA -0.322 4.158 4.480 0.000 0.000 0.258 261 M C 2.401 178.770 176.300 0.114 0.000 1.071 261 M CA 2.330 57.706 55.300 0.126 0.000 1.100 261 M CB -0.612 32.064 32.600 0.126 0.000 1.292 261 M HN 0.496 nan 8.290 nan 0.000 0.415 262 H N -0.133 118.961 119.070 0.040 0.000 2.357 262 H HA -0.219 4.337 4.556 0.000 0.000 0.296 262 H C 1.774 177.096 175.328 -0.011 0.000 1.108 262 H CA 2.477 58.520 56.048 -0.008 0.000 1.273 262 H CB -0.166 29.594 29.762 -0.003 0.000 1.367 262 H HN 0.451 nan 8.280 nan 0.000 0.498 263 E N -1.264 118.873 120.200 -0.106 0.000 2.118 263 E HA -0.211 4.139 4.350 0.000 0.000 0.195 263 E C 1.562 178.021 176.600 -0.236 0.000 0.992 263 E CA 1.493 57.780 56.400 -0.188 0.000 0.804 263 E CB -0.021 29.646 29.700 -0.055 0.000 0.741 263 E HN 0.706 nan 8.360 nan 0.000 0.458 264 H N -2.149 116.854 119.070 -0.113 0.000 2.562 264 H HA 0.199 4.755 4.556 0.000 0.000 0.267 264 H C 1.013 176.280 175.328 -0.101 0.000 0.959 264 H CA 0.817 56.817 56.048 -0.079 0.000 1.204 264 H CB 1.148 30.893 29.762 -0.029 0.000 1.430 264 H HN 0.283 nan 8.280 nan 0.000 0.545 265 G N -0.242 108.517 108.800 -0.068 0.000 2.130 265 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 265 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 265 G C 0.157 174.965 174.900 -0.154 0.000 0.999 265 G CA 0.057 45.066 45.100 -0.152 0.000 0.686 265 G HN 0.628 nan 8.290 nan 0.000 0.515 266 A N -0.170 122.607 122.820 -0.071 0.000 2.301 266 A HA 0.832 5.152 4.320 0.000 0.000 0.298 266 A C 0.211 177.755 177.584 -0.068 0.000 1.185 266 A CA -0.412 51.637 52.037 0.019 0.000 0.830 266 A CB 0.502 19.538 19.000 0.060 0.000 1.112 266 A HN 0.517 nan 8.150 nan 0.000 0.508 267 F N 1.122 121.034 119.950 -0.063 0.000 2.362 267 F HA 0.557 5.084 4.527 0.000 0.000 0.311 267 F C 0.435 176.148 175.800 -0.144 0.000 1.161 267 F CA -0.440 57.502 58.000 -0.096 0.000 1.085 267 F CB 1.171 40.107 39.000 -0.106 0.000 1.311 267 F HN 0.302 nan 8.300 nan 0.000 0.524 268 V N 0.702 120.605 119.914 -0.018 0.000 2.841 268 V HA 0.433 4.553 4.120 0.000 0.000 0.310 268 V C -0.968 175.037 176.094 -0.147 0.000 1.090 268 V CA -0.887 61.292 62.300 -0.201 0.000 0.930 268 V CB 1.863 33.294 31.823 -0.653 0.000 1.014 268 V HN 0.439 nan 8.190 nan 0.000 0.425 269 V N 4.874 124.698 119.914 -0.150 0.000 2.289 269 V HA 0.359 4.479 4.120 0.000 0.000 0.272 269 V C -2.447 173.519 176.094 -0.213 0.000 1.026 269 V CA -1.651 60.560 62.300 -0.149 0.000 0.807 269 V CB 1.289 33.049 31.823 -0.104 0.000 1.044 269 V HN 0.721 nan 8.190 nan 0.000 0.443 270 P HA 0.272 nan 4.420 nan 0.000 0.272 270 P C 0.305 177.514 177.300 -0.152 0.000 1.230 270 P CA 0.074 63.120 63.100 -0.090 0.000 0.788 270 P CB 0.501 32.193 31.700 -0.013 0.000 0.949 271 T N -2.362 112.173 114.554 -0.031 0.000 3.866 271 T HA 0.292 4.642 4.350 0.000 0.000 0.241 271 T C 0.889 175.600 174.700 0.017 0.000 1.017 271 T CA -0.409 61.625 62.100 -0.110 0.000 1.300 271 T CB -1.175 67.584 68.868 -0.182 0.000 0.968 271 T HN 0.070 nan 8.240 nan 0.000 0.595 272 L N 0.149 121.409 121.223 0.062 0.000 2.131 272 L HA -0.004 4.336 4.340 0.000 0.000 0.210 272 L C 2.715 179.656 176.870 0.119 0.000 1.092 272 L CA 0.733 55.702 54.840 0.214 0.000 0.759 272 L CB -0.578 41.546 42.059 0.108 0.000 0.903 272 L HN 0.424 nan 8.230 nan 0.000 0.435 273 V N -0.580 119.317 119.914 -0.028 0.000 2.594 273 V HA -0.304 3.816 4.120 0.000 0.000 0.253 273 V C 2.532 178.589 176.094 -0.061 0.000 1.069 273 V CA 2.512 64.793 62.300 -0.031 0.000 1.082 273 V CB -0.131 31.675 31.823 -0.029 0.000 0.680 273 V HN 0.523 nan 8.190 nan 0.000 0.469 274 T N -1.131 113.318 114.554 -0.175 0.000 2.915 274 T HA -0.142 4.208 4.350 0.000 0.000 0.269 274 T C 1.505 176.044 174.700 -0.268 0.000 1.071 274 T CA 1.884 63.830 62.100 -0.256 0.000 1.132 274 T CB -0.279 68.377 68.868 -0.355 0.000 0.878 274 T HN 0.727 nan 8.240 nan 0.000 0.479 275 Y N 1.134 121.443 120.300 0.015 0.000 2.395 275 Y HA 0.116 4.666 4.550 -0.000 0.000 0.293 275 Y C 2.342 178.217 175.900 -0.041 0.000 1.123 275 Y CA 0.403 58.499 58.100 -0.006 0.000 1.227 275 Y CB -0.289 38.164 38.460 -0.012 0.000 1.012 275 Y HN 0.217 nan 8.280 nan 0.000 0.552 276 D N 0.057 120.494 120.400 0.063 0.000 2.123 276 D HA -0.106 4.534 4.640 0.000 0.000 0.200 276 D C 2.284 178.507 176.300 -0.129 0.000 0.976 276 D CA 1.350 55.327 54.000 -0.039 0.000 0.831 276 D CB -0.505 40.261 40.800 -0.056 0.000 0.974 276 D HN 0.289 nan 8.370 nan 0.000 0.469 277 A N 0.771 123.519 122.820 -0.119 0.000 1.877 277 A HA -0.111 4.209 4.320 0.000 0.000 0.216 277 A C 2.303 179.880 177.584 -0.013 0.000 1.186 277 A CA 0.945 52.925 52.037 -0.095 0.000 0.620 277 A CB -0.872 18.163 19.000 0.059 0.000 0.822 277 A HN 0.209 nan 8.150 nan 0.000 0.443 278 L N -0.801 120.432 121.223 0.017 0.000 2.275 278 L HA -0.154 4.186 4.340 0.000 0.000 0.215 278 L C 2.993 179.855 176.870 -0.014 0.000 1.119 278 L CA 0.662 55.527 54.840 0.041 0.000 0.790 278 L CB -0.466 41.628 42.059 0.059 0.000 0.919 278 L HN 0.475 nan 8.230 nan 0.000 0.443 279 A N 0.191 122.980 122.820 -0.053 0.000 1.877 279 A HA -0.216 4.104 4.320 0.000 0.000 0.216 279 A C 2.293 179.773 177.584 -0.174 0.000 1.186 279 A CA 1.704 53.689 52.037 -0.086 0.000 0.620 279 A CB -0.235 18.718 19.000 -0.077 0.000 0.822 279 A HN 0.184 nan 8.150 nan 0.000 0.443 280 K N -0.548 119.652 120.400 -0.332 0.000 2.021 280 K HA -0.008 4.312 4.320 0.000 0.000 0.205 280 K C 0.647 176.927 176.600 -0.535 0.000 1.047 280 K CA 1.408 57.351 56.287 -0.573 0.000 0.943 280 K CB -0.045 31.832 32.500 -1.038 0.000 0.725 280 K HN 0.665 nan 8.250 nan 0.000 0.439 281 H N -1.289 117.729 119.070 -0.087 0.000 2.505 281 H HA 0.332 4.888 4.556 -0.000 0.000 0.260 281 H C 0.892 176.165 175.328 -0.093 0.000 1.232 281 H CA 0.078 56.003 56.048 -0.206 0.000 0.991 281 H CB 0.400 29.957 29.762 -0.342 0.000 1.729 281 H HN 0.256 nan 8.280 nan 0.000 0.561 282 G N 0.951 109.758 108.800 0.011 0.000 2.607 282 G HA2 -0.065 3.895 3.960 0.000 0.000 0.215 282 G HA3 -0.065 3.895 3.960 0.000 0.000 0.215 282 G C 1.650 176.588 174.900 0.064 0.000 1.275 282 G CA 0.713 45.849 45.100 0.060 0.000 0.842 282 G HN 0.427 nan 8.290 nan 0.000 0.555 283 A N 0.201 123.036 122.820 0.025 0.000 2.125 283 A HA 0.033 4.353 4.320 0.000 0.000 0.219 283 A C 2.071 179.664 177.584 0.016 0.000 1.156 283 A CA 1.924 53.976 52.037 0.025 0.000 0.671 283 A CB -0.360 18.645 19.000 0.009 0.000 0.794 283 A HN 0.549 nan 8.150 nan 0.000 0.459 284 E N -1.208 118.975 120.200 -0.029 0.000 2.107 284 E HA -0.109 4.241 4.350 0.000 0.000 0.191 284 E C 0.145 176.702 176.600 -0.071 0.000 0.982 284 E CA 0.733 57.068 56.400 -0.108 0.000 0.809 284 E CB -0.070 29.489 29.700 -0.235 0.000 0.756 284 E HN 0.527 nan 8.360 nan 0.000 0.459 285 F N -0.058 119.942 119.950 0.082 0.000 2.713 285 F HA 0.340 4.867 4.527 -0.000 0.000 0.294 285 F C 1.247 177.071 175.800 0.040 0.000 1.152 285 F CA 0.372 58.410 58.000 0.064 0.000 1.385 285 F CB 0.755 39.806 39.000 0.085 0.000 0.981 285 F HN 0.181 nan 8.300 nan 0.000 0.514 286 G N 0.425 109.340 108.800 0.191 0.000 2.157 286 G HA2 -0.315 3.645 3.960 0.000 0.000 0.248 286 G HA3 -0.315 3.645 3.960 0.000 0.000 0.248 286 G C 0.443 175.389 174.900 0.077 0.000 0.979 286 G CA -0.035 45.132 45.100 0.112 0.000 0.650 286 G HN 0.328 nan 8.290 nan 0.000 0.529 287 M N 2.366 122.020 119.600 0.090 0.000 2.162 287 M HA 0.403 4.883 4.480 0.000 0.000 0.356 287 M C -1.730 174.602 176.300 0.052 0.000 1.303 287 M CA -1.866 53.472 55.300 0.063 0.000 1.116 287 M CB 0.699 33.346 32.600 0.079 0.000 1.632 287 M HN -0.032 nan 8.290 nan 0.000 0.469 288 P HA -0.022 nan 4.420 nan 0.000 0.263 288 P C -2.443 174.880 177.300 0.038 0.000 1.168 288 P CA -0.607 62.516 63.100 0.038 0.000 0.759 288 P CB -0.365 31.361 31.700 0.042 0.000 0.782 289 P HA -0.176 nan 4.420 nan 0.000 0.219 289 P C 1.250 178.564 177.300 0.023 0.000 1.146 289 P CA 1.456 64.570 63.100 0.023 0.000 0.808 289 P CB -0.079 31.631 31.700 0.017 0.000 0.779 290 E N -1.104 119.113 120.200 0.028 0.000 2.478 290 E HA 0.051 4.401 4.350 0.000 0.000 0.194 290 E C 1.228 177.851 176.600 0.037 0.000 1.045 290 E CA 0.616 57.033 56.400 0.027 0.000 0.868 290 E CB -0.517 29.198 29.700 0.026 0.000 0.885 290 E HN 0.088 nan 8.360 nan 0.000 0.505 291 S N 0.443 116.173 115.700 0.050 0.000 2.458 291 S HA 0.004 4.474 4.470 0.000 0.000 0.223 291 S C 1.883 176.517 174.600 0.056 0.000 1.019 291 S CA 0.716 58.956 58.200 0.067 0.000 0.937 291 S CB 0.241 63.493 63.200 0.087 0.000 0.788 291 S HN 0.260 nan 8.310 nan 0.000 0.511 292 V N 1.384 121.324 119.914 0.042 0.000 3.041 292 V HA 0.121 4.241 4.120 0.000 0.000 0.260 292 V C 2.326 178.428 176.094 0.013 0.000 1.105 292 V CA 1.026 63.344 62.300 0.031 0.000 1.125 292 V CB -1.240 30.597 31.823 0.023 0.000 0.730 292 V HN 0.438 nan 8.190 nan 0.000 0.479 293 A N 0.302 123.128 122.820 0.010 0.000 1.968 293 A HA -0.110 4.210 4.320 0.000 0.000 0.217 293 A C 2.279 179.854 177.584 -0.015 0.000 1.169 293 A CA 1.449 53.483 52.037 -0.004 0.000 0.638 293 A CB -0.334 18.665 19.000 -0.002 0.000 0.812 293 A HN 0.485 nan 8.150 nan 0.000 0.446 294 K N -0.752 119.644 120.400 -0.008 0.000 2.459 294 K HA 0.122 4.442 4.320 0.000 0.000 0.193 294 K C 1.397 177.966 176.600 -0.051 0.000 1.030 294 K CA 0.481 56.749 56.287 -0.032 0.000 1.026 294 K CB 0.128 32.620 32.500 -0.013 0.000 0.809 294 K HN 0.276 nan 8.250 nan 0.000 0.504 295 V N 0.311 120.219 119.914 -0.010 0.000 3.052 295 V HA -0.000 4.120 4.120 0.000 0.000 0.254 295 V C 1.869 177.945 176.094 -0.029 0.000 1.100 295 V CA 1.131 63.441 62.300 0.017 0.000 1.112 295 V CB 0.165 32.039 31.823 0.086 0.000 0.738 295 V HN 0.281 nan 8.190 nan 0.000 0.469 296 A N 0.431 123.225 122.820 -0.043 0.000 1.978 296 A HA -0.221 4.099 4.320 0.000 0.000 0.220 296 A C 2.521 180.050 177.584 -0.092 0.000 1.170 296 A CA 2.568 54.571 52.037 -0.057 0.000 0.636 296 A CB -0.636 18.335 19.000 -0.049 0.000 0.810 296 A HN 0.773 nan 8.150 nan 0.000 0.448 297 S N -0.363 115.263 115.700 -0.123 0.000 2.371 297 S HA -0.074 4.396 4.470 0.000 0.000 0.221 297 S C 1.728 176.193 174.600 -0.225 0.000 1.036 297 S CA 1.208 59.315 58.200 -0.155 0.000 0.965 297 S CB -1.106 62.003 63.200 -0.152 0.000 0.845 297 S HN 0.714 nan 8.310 nan 0.000 0.475 298 V N 2.095 121.810 119.914 -0.332 0.000 2.809 298 V HA -0.102 4.018 4.120 0.000 0.000 0.256 298 V C 2.597 178.396 176.094 -0.491 0.000 1.080 298 V CA 1.370 63.372 62.300 -0.497 0.000 1.102 298 V CB -1.754 29.588 31.823 -0.802 0.000 0.705 298 V HN 0.727 nan 8.190 nan 0.000 0.475 299 Q N 0.067 119.645 119.800 -0.369 0.000 2.269 299 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 299 Q C 2.048 177.958 176.000 -0.150 0.000 0.946 299 Q CA 0.763 56.415 55.803 -0.251 0.000 0.877 299 Q CB -0.429 28.253 28.738 -0.094 0.000 0.963 299 Q HN 0.576 nan 8.270 nan 0.000 0.472 300 Q N 1.995 121.712 119.800 -0.138 0.000 1.935 300 Q HA -0.190 4.150 4.340 0.000 0.000 0.212 300 Q C 1.746 177.688 176.000 -0.096 0.000 1.008 300 Q CA 1.805 57.548 55.803 -0.101 0.000 0.868 300 Q CB -0.542 28.138 28.738 -0.098 0.000 0.946 300 Q HN 0.288 nan 8.270 nan 0.000 0.418 301 K N 0.506 120.838 120.400 -0.113 0.000 2.574 301 K HA -0.009 4.311 4.320 0.000 0.000 0.193 301 K C 1.870 178.417 176.600 -0.089 0.000 1.035 301 K CA 0.677 56.905 56.287 -0.098 0.000 0.982 301 K CB -0.583 31.854 32.500 -0.104 0.000 0.795 301 K HN 0.430 nan 8.250 nan 0.000 0.491 302 G N 0.412 109.147 108.800 -0.107 0.000 2.433 302 G HA2 -0.291 3.669 3.960 0.000 0.000 0.216 302 G HA3 -0.291 3.669 3.960 0.000 0.000 0.216 302 G C 1.557 176.449 174.900 -0.014 0.000 1.186 302 G CA 0.613 45.668 45.100 -0.076 0.000 0.779 302 G HN 0.249 nan 8.290 nan 0.000 0.543 303 R N 0.186 120.675 120.500 -0.020 0.000 2.073 303 R HA -0.049 4.291 4.340 0.000 0.000 0.234 303 R C 2.500 178.795 176.300 -0.008 0.000 1.134 303 R CA 1.702 57.800 56.100 -0.003 0.000 0.952 303 R CB -0.345 29.950 30.300 -0.008 0.000 0.850 303 R HN 0.518 nan 8.270 nan 0.000 0.433 304 E N -0.102 120.079 120.200 -0.032 0.000 2.070 304 E HA -0.227 4.123 4.350 0.000 0.000 0.197 304 E C 1.771 178.332 176.600 -0.065 0.000 1.004 304 E CA 1.893 58.265 56.400 -0.047 0.000 0.805 304 E CB -0.016 29.647 29.700 -0.062 0.000 0.744 304 E HN 0.464 nan 8.360 nan 0.000 0.451 305 S N 0.369 116.023 115.700 -0.076 0.000 2.400 305 S HA -0.190 4.280 4.470 0.000 0.000 0.232 305 S C 1.980 176.514 174.600 -0.110 0.000 1.025 305 S CA 0.910 59.011 58.200 -0.164 0.000 0.993 305 S CB -0.420 62.725 63.200 -0.091 0.000 0.808 305 S HN 0.154 nan 8.310 nan 0.000 0.478 306 L N 2.005 123.266 121.223 0.063 0.000 2.043 306 L HA -0.098 4.242 4.340 0.000 0.000 0.212 306 L C 2.736 179.661 176.870 0.091 0.000 1.075 306 L CA 1.813 56.743 54.840 0.150 0.000 0.752 306 L CB -1.076 41.041 42.059 0.096 0.000 0.891 306 L HN 0.405 nan 8.230 nan 0.000 0.432 307 E N -0.728 119.480 120.200 0.014 0.000 2.047 307 E HA -0.194 4.156 4.350 0.000 0.000 0.191 307 E C 2.289 178.866 176.600 -0.038 0.000 0.987 307 E CA 1.248 57.644 56.400 -0.007 0.000 0.799 307 E CB -0.141 29.545 29.700 -0.023 0.000 0.752 307 E HN 0.464 nan 8.360 nan 0.000 0.449 308 I N 0.279 120.779 120.570 -0.117 0.000 2.208 308 I HA -0.285 3.885 4.170 0.000 0.000 0.245 308 I C 1.990 178.017 176.117 -0.150 0.000 1.097 308 I CA 1.115 62.309 61.300 -0.178 0.000 1.363 308 I CB -0.424 37.400 38.000 -0.293 0.000 1.051 308 I HN 0.127 nan 8.210 nan 0.000 0.413 309 Y N 1.211 121.503 120.300 -0.013 0.000 2.145 309 Y HA -0.199 4.351 4.550 -0.000 0.000 0.286 309 Y C 2.783 178.668 175.900 -0.025 0.000 1.145 309 Y CA 1.034 59.126 58.100 -0.013 0.000 1.148 309 Y CB -1.201 37.258 38.460 -0.002 0.000 0.981 309 Y HN 0.099 nan 8.280 nan 0.000 0.507 310 A N 0.623 123.526 122.820 0.137 0.000 1.873 310 A HA -0.273 4.047 4.320 0.000 0.000 0.218 310 A C 2.179 179.766 177.584 0.005 0.000 1.193 310 A CA 2.212 54.284 52.037 0.058 0.000 0.629 310 A CB -0.902 18.124 19.000 0.044 0.000 0.826 310 A HN 0.470 nan 8.150 nan 0.000 0.447 311 N N 0.252 118.945 118.700 -0.011 0.000 2.069 311 N HA -0.110 4.630 4.740 0.000 0.000 0.191 311 N C 1.742 177.209 175.510 -0.072 0.000 1.031 311 N CA 1.760 54.785 53.050 -0.041 0.000 0.852 311 N CB -0.616 37.845 38.487 -0.044 0.000 1.018 311 N HN 0.487 nan 8.380 nan 0.000 0.423 312 A N -0.181 122.603 122.820 -0.060 0.000 2.167 312 A HA 0.325 4.645 4.320 0.000 0.000 0.214 312 A C 1.208 178.647 177.584 -0.241 0.000 1.151 312 A CA 0.933 52.910 52.037 -0.100 0.000 0.735 312 A CB -0.480 18.514 19.000 -0.009 0.000 0.802 312 A HN 0.370 nan 8.150 nan 0.000 0.467 313 G N -0.860 107.849 108.800 -0.151 0.000 2.341 313 G HA2 -0.087 3.873 3.960 0.000 0.000 0.278 313 G HA3 -0.087 3.873 3.960 0.000 0.000 0.278 313 G C -0.244 174.652 174.900 -0.007 0.000 1.111 313 G CA 0.033 45.027 45.100 -0.176 0.000 0.982 313 G HN 0.895 nan 8.290 nan 0.000 0.502 314 V N 0.130 120.077 119.914 0.056 0.000 2.398 314 V HA 0.460 4.580 4.120 0.000 0.000 0.286 314 V C 0.746 176.819 176.094 -0.036 0.000 1.026 314 V CA -1.152 61.175 62.300 0.046 0.000 0.868 314 V CB 1.641 33.532 31.823 0.113 0.000 0.982 314 V HN 0.416 nan 8.190 nan 0.000 0.443 315 K N 4.436 124.756 120.400 -0.133 0.000 2.448 315 K HA 0.332 4.652 4.320 0.000 0.000 0.278 315 K C -0.346 176.240 176.600 -0.025 0.000 1.009 315 K CA 0.697 56.930 56.287 -0.091 0.000 0.995 315 K CB 0.281 32.671 32.500 -0.184 0.000 0.917 315 K HN 0.594 nan 8.250 nan 0.000 0.481 316 M N 2.155 121.769 119.600 0.023 0.000 2.125 316 M HA 0.314 4.794 4.480 0.000 0.000 0.321 316 M C 0.204 176.542 176.300 0.063 0.000 0.983 316 M CA -0.610 54.690 55.300 -0.001 0.000 0.934 316 M CB 2.102 34.695 32.600 -0.012 0.000 1.542 316 M HN 0.741 nan 8.290 nan 0.000 0.424 317 G N 1.825 110.657 108.800 0.054 0.000 2.462 317 G HA2 0.551 4.511 3.960 0.000 0.000 0.319 317 G HA3 0.551 4.511 3.960 0.000 0.000 0.319 317 G C -1.381 173.564 174.900 0.075 0.000 1.171 317 G CA -0.455 44.693 45.100 0.080 0.000 0.920 317 G HN 0.603 nan 8.290 nan 0.000 0.499 318 F N 0.566 120.498 119.950 -0.030 0.000 2.429 318 F HA 0.570 5.097 4.527 0.000 0.000 0.348 318 F C 0.613 176.377 175.800 -0.061 0.000 1.109 318 F CA 0.529 58.485 58.000 -0.074 0.000 1.232 318 F CB 1.307 40.254 39.000 -0.088 0.000 1.157 318 F HN 0.600 nan 8.300 nan 0.000 0.564 319 G N 2.403 110.848 108.800 -0.592 0.000 2.759 319 G HA2 0.382 4.342 3.960 0.000 0.000 0.297 319 G HA3 0.382 4.342 3.960 0.000 0.000 0.297 319 G C -0.665 173.942 174.900 -0.489 0.000 1.434 319 G CA -0.104 44.791 45.100 -0.342 0.000 0.980 319 G HN 0.859 nan 8.290 nan 0.000 0.531 320 S N 0.678 116.229 115.700 -0.248 0.000 2.517 320 S HA 0.135 4.605 4.470 0.000 0.000 0.228 320 S C 0.939 175.465 174.600 -0.124 0.000 1.060 320 S CA 1.365 59.446 58.200 -0.199 0.000 0.937 320 S CB -0.044 63.086 63.200 -0.117 0.000 0.840 320 S HN 0.997 nan 8.310 nan 0.000 0.546 321 D N 0.619 121.011 120.400 -0.013 0.000 2.686 321 D HA -0.121 4.519 4.640 0.000 0.000 0.235 321 D C -0.929 175.385 176.300 0.022 0.000 1.160 321 D CA 0.432 54.511 54.000 0.131 0.000 0.645 321 D CB -1.875 39.008 40.800 0.138 0.000 1.039 321 D HN 0.558 nan 8.370 nan 0.000 0.423 322 L N 0.076 121.224 121.223 -0.125 0.000 2.334 322 L HA 0.532 4.872 4.340 0.000 0.000 0.277 322 L C 0.549 177.195 176.870 -0.374 0.000 1.075 322 L CA -0.813 53.882 54.840 -0.242 0.000 0.804 322 L CB 1.189 43.071 42.059 -0.295 0.000 1.174 322 L HN 0.017 nan 8.230 nan 0.000 0.438 323 L N 2.053 123.181 121.223 -0.160 0.000 2.346 323 L HA 0.734 5.074 4.340 0.000 0.000 0.274 323 L C 0.842 177.727 176.870 0.025 0.000 1.007 323 L CA -0.535 54.286 54.840 -0.031 0.000 0.818 323 L CB 1.482 43.550 42.059 0.015 0.000 1.284 323 L HN 0.847 nan 8.230 nan 0.000 0.424 324 G N 2.028 110.909 108.800 0.136 0.000 2.566 324 G HA2 -0.295 3.665 3.960 0.000 0.000 0.280 324 G HA3 -0.295 3.665 3.960 0.000 0.000 0.280 324 G C 0.787 175.706 174.900 0.031 0.000 1.225 324 G CA 0.434 45.560 45.100 0.043 0.000 0.966 324 G HN 0.847 nan 8.290 nan 0.000 0.560 325 E N 0.282 120.342 120.200 -0.233 0.000 2.204 325 E HA -0.075 4.275 4.350 0.000 0.000 0.195 325 E C 2.534 179.018 176.600 -0.194 0.000 0.990 325 E CA 1.511 57.733 56.400 -0.297 0.000 0.821 325 E CB -0.293 29.051 29.700 -0.593 0.000 0.750 325 E HN 0.680 nan 8.360 nan 0.000 0.477 326 M N 0.882 120.435 119.600 -0.078 0.000 2.763 326 M HA -0.058 4.422 4.480 0.000 0.000 0.244 326 M C 1.201 177.558 176.300 0.094 0.000 1.065 326 M CA 0.682 56.100 55.300 0.197 0.000 1.070 326 M CB -0.548 32.273 32.600 0.369 0.000 1.494 326 M HN 0.136 nan 8.290 nan 0.000 0.546 327 H N -0.145 118.903 119.070 -0.038 0.000 2.457 327 H HA 0.004 4.560 4.556 -0.000 0.000 0.294 327 H C 2.123 177.414 175.328 -0.061 0.000 1.064 327 H CA 1.424 57.456 56.048 -0.027 0.000 1.330 327 H CB 0.238 29.970 29.762 -0.051 0.000 1.395 327 H HN 0.463 nan 8.280 nan 0.000 0.541 328 A N 0.284 123.041 122.820 -0.104 0.000 1.948 328 A HA -0.195 4.125 4.320 0.000 0.000 0.220 328 A C 1.597 179.071 177.584 -0.183 0.000 1.177 328 A CA 1.370 53.256 52.037 -0.250 0.000 0.636 328 A CB -0.975 17.708 19.000 -0.528 0.000 0.815 328 A HN 0.452 nan 8.150 nan 0.000 0.449 329 F N 0.081 120.102 119.950 0.118 0.000 2.816 329 F HA -0.011 4.516 4.527 -0.000 0.000 0.302 329 F C 2.184 178.070 175.800 0.144 0.000 1.178 329 F CA 0.643 58.719 58.000 0.128 0.000 1.421 329 F CB -0.231 38.839 39.000 0.116 0.000 1.114 329 F HN 0.361 nan 8.300 nan 0.000 0.573 330 Q N 0.398 120.354 119.800 0.260 0.000 2.152 330 Q HA -0.212 4.128 4.340 0.000 0.000 0.206 330 Q C 1.974 178.225 176.000 0.419 0.000 0.985 330 Q CA 2.029 57.980 55.803 0.247 0.000 0.863 330 Q CB -0.050 28.787 28.738 0.165 0.000 0.904 330 Q HN 0.353 nan 8.270 nan 0.000 0.422 331 S N -0.615 115.378 115.700 0.488 0.000 2.489 331 S HA 0.006 4.476 4.470 0.000 0.000 0.228 331 S C 1.659 176.570 174.600 0.519 0.000 0.995 331 S CA 0.552 59.122 58.200 0.616 0.000 0.934 331 S CB 0.019 63.519 63.200 0.500 0.000 0.771 331 S HN 0.623 nan 8.310 nan 0.000 0.522 332 G N 1.535 110.558 108.800 0.371 0.000 2.516 332 G HA2 -0.251 3.709 3.960 0.000 0.000 0.221 332 G HA3 -0.251 3.709 3.960 0.000 0.000 0.221 332 G C 1.170 176.196 174.900 0.209 0.000 1.107 332 G CA 0.994 46.260 45.100 0.277 0.000 0.747 332 G HN 0.551 nan 8.290 nan 0.000 0.567 333 E N -0.369 119.935 120.200 0.174 0.000 2.274 333 E HA 0.005 4.355 4.350 0.000 0.000 0.194 333 E C 1.790 178.443 176.600 0.087 0.000 0.996 333 E CA 0.266 56.649 56.400 -0.028 0.000 0.840 333 E CB -0.274 29.140 29.700 -0.477 0.000 0.772 333 E HN 0.413 nan 8.360 nan 0.000 0.491 334 F N 0.559 120.741 119.950 0.386 0.000 2.075 334 F HA -0.058 4.469 4.527 0.000 0.000 0.297 334 F C 2.550 178.426 175.800 0.127 0.000 1.113 334 F CA 1.596 59.745 58.000 0.248 0.000 1.218 334 F CB -0.421 38.624 39.000 0.075 0.000 0.984 334 F HN 0.005 nan 8.300 nan 0.000 0.472 335 R N 0.422 121.103 120.500 0.302 0.000 2.075 335 R HA -0.096 4.244 4.340 0.000 0.000 0.232 335 R C 2.266 178.640 176.300 0.125 0.000 1.126 335 R CA 1.322 57.530 56.100 0.179 0.000 0.963 335 R CB -0.444 29.945 30.300 0.148 0.000 0.858 335 R HN 0.257 nan 8.270 nan 0.000 0.435 336 I N 0.225 120.859 120.570 0.107 0.000 2.248 336 I HA -0.314 3.856 4.170 0.000 0.000 0.248 336 I C 2.261 178.415 176.117 0.061 0.000 1.107 336 I CA 1.459 62.798 61.300 0.065 0.000 1.373 336 I CB -0.223 37.801 38.000 0.041 0.000 1.055 336 I HN 0.186 nan 8.210 nan 0.000 0.418 337 R N 0.352 120.899 120.500 0.077 0.000 2.161 337 R HA 0.086 4.426 4.340 0.000 0.000 0.213 337 R C 2.420 178.777 176.300 0.095 0.000 1.055 337 R CA 0.922 57.069 56.100 0.078 0.000 0.996 337 R CB -0.167 30.182 30.300 0.081 0.000 0.901 337 R HN 0.314 nan 8.270 nan 0.000 0.456 338 A N 1.249 124.139 122.820 0.117 0.000 1.969 338 A HA -0.144 4.176 4.320 0.000 0.000 0.218 338 A C 1.662 179.287 177.584 0.068 0.000 1.169 338 A CA 1.130 53.226 52.037 0.099 0.000 0.635 338 A CB -0.152 18.913 19.000 0.108 0.000 0.810 338 A HN 0.260 nan 8.150 nan 0.000 0.445 339 E N -0.705 119.534 120.200 0.064 0.000 2.418 339 E HA -0.018 4.332 4.350 0.000 0.000 0.197 339 E C 1.443 178.066 176.600 0.037 0.000 1.026 339 E CA 0.822 57.249 56.400 0.046 0.000 0.862 339 E CB 0.097 29.823 29.700 0.043 0.000 0.799 339 E HN 0.483 nan 8.360 nan 0.000 0.518 340 V N 0.125 120.064 119.914 0.042 0.000 2.840 340 V HA 0.083 4.203 4.120 0.000 0.000 0.234 340 V C 0.762 176.878 176.094 0.036 0.000 1.159 340 V CA 0.427 62.748 62.300 0.034 0.000 1.194 340 V CB 0.137 31.981 31.823 0.035 0.000 0.971 340 V HN 0.036 nan 8.190 nan 0.000 0.494 341 L N -0.177 121.074 121.223 0.046 0.000 2.365 341 L HA 0.773 5.113 4.340 0.000 0.000 0.267 341 L C 0.864 177.763 176.870 0.049 0.000 1.033 341 L CA -0.505 54.362 54.840 0.045 0.000 0.802 341 L CB 0.191 42.281 42.059 0.053 0.000 1.267 341 L HN 0.203 nan 8.230 nan 0.000 0.457 342 G N 0.123 108.949 108.800 0.043 0.000 2.559 342 G HA2 -0.025 3.935 3.960 0.000 0.000 0.235 342 G HA3 -0.025 3.935 3.960 0.000 0.000 0.235 342 G C 0.658 175.592 174.900 0.055 0.000 1.266 342 G CA -0.266 44.859 45.100 0.042 0.000 0.847 342 G HN 0.889 nan 8.290 nan 0.000 0.583 343 N N 1.426 120.157 118.700 0.052 0.000 2.571 343 N HA -0.080 4.660 4.740 0.000 0.000 0.189 343 N C 1.668 177.206 175.510 0.048 0.000 1.154 343 N CA 0.163 53.249 53.050 0.060 0.000 0.907 343 N CB 0.014 38.530 38.487 0.049 0.000 0.977 343 N HN 0.441 nan 8.380 nan 0.000 0.449 344 L N -0.009 121.239 121.223 0.040 0.000 2.044 344 L HA -0.075 4.265 4.340 0.000 0.000 0.205 344 L C 2.187 179.092 176.870 0.057 0.000 1.075 344 L CA 1.658 56.521 54.840 0.038 0.000 0.747 344 L CB -0.188 41.889 42.059 0.029 0.000 0.903 344 L HN 0.093 nan 8.230 nan 0.000 0.435 345 E N 0.367 120.604 120.200 0.063 0.000 2.110 345 E HA -0.187 4.163 4.350 0.000 0.000 0.193 345 E C 2.012 178.678 176.600 0.110 0.000 0.988 345 E CA 1.529 57.975 56.400 0.076 0.000 0.804 345 E CB -0.187 29.552 29.700 0.065 0.000 0.745 345 E HN 0.504 nan 8.360 nan 0.000 0.458 346 A N 0.011 122.912 122.820 0.134 0.000 1.978 346 A HA -0.132 4.188 4.320 0.000 0.000 0.220 346 A C 2.191 179.947 177.584 0.286 0.000 1.170 346 A CA 1.331 53.498 52.037 0.216 0.000 0.636 346 A CB -0.515 18.634 19.000 0.248 0.000 0.810 346 A HN 0.322 nan 8.150 nan 0.000 0.448 347 L N -1.760 119.570 121.223 0.178 0.000 2.307 347 L HA 0.014 4.354 4.340 0.000 0.000 0.211 347 L C 2.672 179.616 176.870 0.123 0.000 1.099 347 L CA 0.366 55.285 54.840 0.131 0.000 0.816 347 L CB -0.373 41.698 42.059 0.020 0.000 0.952 347 L HN 0.274 nan 8.230 nan 0.000 0.455 348 R N 0.169 120.733 120.500 0.108 0.000 2.120 348 R HA -0.137 4.203 4.340 0.000 0.000 0.234 348 R C 2.603 178.974 176.300 0.118 0.000 1.123 348 R CA 1.660 57.818 56.100 0.098 0.000 0.975 348 R CB -0.341 30.007 30.300 0.080 0.000 0.866 348 R HN 0.454 nan 8.270 nan 0.000 0.446 349 S N 0.272 116.059 115.700 0.145 0.000 2.402 349 S HA -0.043 4.427 4.470 0.000 0.000 0.229 349 S C 1.807 176.521 174.600 0.190 0.000 1.021 349 S CA 1.013 59.312 58.200 0.165 0.000 0.974 349 S CB 0.138 63.450 63.200 0.186 0.000 0.800 349 S HN 0.302 nan 8.310 nan 0.000 0.484 350 A N 0.761 123.676 122.820 0.160 0.000 2.379 350 A HA 0.472 4.792 4.320 0.000 0.000 0.236 350 A C 1.536 179.207 177.584 0.144 0.000 1.272 350 A CA 0.588 52.678 52.037 0.089 0.000 0.886 350 A CB -0.416 18.438 19.000 -0.243 0.000 0.962 350 A HN 0.765 nan 8.150 nan 0.000 0.504 351 T N -5.114 109.519 114.554 0.132 0.000 3.277 351 T HA 0.013 4.363 4.350 0.000 0.000 0.136 351 T C 1.843 176.593 174.700 0.084 0.000 0.874 351 T CA 1.140 63.309 62.100 0.116 0.000 0.823 351 T CB -0.783 68.152 68.868 0.112 0.000 1.493 351 T HN 0.283 nan 8.240 nan 0.000 0.296 352 T N 1.208 115.808 114.554 0.076 0.000 2.777 352 T HA -0.007 4.343 4.350 0.000 0.000 0.266 352 T C 2.049 176.791 174.700 0.070 0.000 1.040 352 T CA 1.464 63.602 62.100 0.063 0.000 1.141 352 T CB -1.084 67.819 68.868 0.058 0.000 0.868 352 T HN 0.250 nan 8.240 nan 0.000 0.444 353 V N 2.457 122.425 119.914 0.090 0.000 2.323 353 V HA -0.003 4.117 4.120 0.000 0.000 0.244 353 V C 3.268 179.404 176.094 0.070 0.000 1.041 353 V CA 1.331 63.704 62.300 0.121 0.000 1.025 353 V CB -1.642 30.264 31.823 0.139 0.000 0.656 353 V HN 0.665 nan 8.190 nan 0.000 0.451 354 A N 0.812 123.667 122.820 0.058 0.000 1.859 354 A HA -0.313 4.007 4.320 0.000 0.000 0.218 354 A C 2.501 180.042 177.584 -0.071 0.000 1.242 354 A CA 3.193 55.237 52.037 0.013 0.000 0.661 354 A CB -1.424 17.624 19.000 0.080 0.000 0.842 354 A HN 0.705 nan 8.150 nan 0.000 0.455 355 A N -0.912 121.889 122.820 -0.032 0.000 1.971 355 A HA -0.308 4.012 4.320 0.000 0.000 0.222 355 A C 2.058 179.570 177.584 -0.120 0.000 1.182 355 A CA 2.371 54.370 52.037 -0.065 0.000 0.649 355 A CB -0.675 18.323 19.000 -0.005 0.000 0.818 355 A HN 0.766 nan 8.150 nan 0.000 0.458 356 E N -0.697 119.446 120.200 -0.096 0.000 2.216 356 E HA -0.067 4.283 4.350 0.000 0.000 0.192 356 E C 1.870 178.245 176.600 -0.374 0.000 0.988 356 E CA 0.601 56.935 56.400 -0.110 0.000 0.834 356 E CB -0.148 29.591 29.700 0.065 0.000 0.772 356 E HN 0.706 nan 8.360 nan 0.000 0.479 357 I N 0.972 121.219 120.570 -0.538 0.000 2.179 357 I HA -0.211 3.959 4.170 0.000 0.000 0.242 357 I C 2.085 177.806 176.117 -0.660 0.000 1.088 357 I CA 1.075 61.847 61.300 -0.879 0.000 1.357 357 I CB 0.000 37.635 38.000 -0.609 0.000 1.051 357 I HN 0.118 nan 8.210 nan 0.000 0.409 358 V N -1.436 118.203 119.914 -0.459 0.000 3.490 358 V HA 0.196 4.316 4.120 0.000 0.000 0.315 358 V C 0.483 176.376 176.094 -0.336 0.000 1.284 358 V CA -0.197 61.820 62.300 -0.472 0.000 1.233 358 V CB -1.308 29.996 31.823 -0.866 0.000 1.101 358 V HN 0.556 nan 8.190 nan 0.000 0.425 359 N N 1.119 119.663 118.700 -0.261 0.000 2.721 359 N HA -0.185 4.555 4.740 0.000 0.000 0.249 359 N C 0.340 175.815 175.510 -0.057 0.000 1.072 359 N CA 1.415 54.388 53.050 -0.128 0.000 0.710 359 N CB -0.725 37.724 38.487 -0.063 0.000 0.993 359 N HN 0.573 nan 8.380 nan 0.000 0.547 360 M N 0.011 119.568 119.600 -0.071 0.000 2.785 360 M HA 0.045 4.525 4.480 0.000 0.000 0.374 360 M C 0.363 176.663 176.300 -0.001 0.000 1.221 360 M CA -0.090 55.208 55.300 -0.004 0.000 0.912 360 M CB 0.376 32.996 32.600 0.033 0.000 1.355 360 M HN 0.042 nan 8.290 nan 0.000 0.513 361 Q N 0.637 120.430 119.800 -0.011 0.000 2.255 361 Q HA 0.308 4.648 4.340 0.000 0.000 0.280 361 Q C 0.924 176.934 176.000 0.017 0.000 1.068 361 Q CA 1.145 56.951 55.803 0.006 0.000 0.911 361 Q CB 0.104 28.848 28.738 0.010 0.000 1.157 361 Q HN 0.690 nan 8.270 nan 0.000 0.380 362 G N 2.622 111.435 108.800 0.021 0.000 2.225 362 G HA2 -0.361 3.599 3.960 0.000 0.000 0.254 362 G HA3 -0.361 3.599 3.960 0.000 0.000 0.254 362 G C 0.801 175.717 174.900 0.026 0.000 0.988 362 G CA 0.569 45.683 45.100 0.023 0.000 0.625 362 G HN 0.528 nan 8.290 nan 0.000 0.527 363 Q N -0.415 119.403 119.800 0.031 0.000 2.200 363 Q HA 0.559 4.899 4.340 0.000 0.000 0.197 363 Q C 1.401 177.428 176.000 0.045 0.000 0.953 363 Q CA 1.030 56.857 55.803 0.040 0.000 0.851 363 Q CB 0.147 28.917 28.738 0.054 0.000 0.938 363 Q HN 0.651 nan 8.270 nan 0.000 0.488 364 L N -2.779 118.473 121.223 0.049 0.000 2.256 364 L HA 0.586 4.926 4.340 0.000 0.000 0.261 364 L C 0.815 177.711 176.870 0.044 0.000 1.022 364 L CA -0.465 54.407 54.840 0.053 0.000 0.828 364 L CB 1.708 43.817 42.059 0.084 0.000 1.374 364 L HN 0.332 nan 8.230 nan 0.000 0.436 365 G N 0.295 109.124 108.800 0.048 0.000 2.196 365 G HA2 -0.239 3.721 3.960 0.000 0.000 0.268 365 G HA3 -0.239 3.721 3.960 0.000 0.000 0.268 365 G C -0.333 174.592 174.900 0.041 0.000 0.975 365 G CA 0.477 45.609 45.100 0.054 0.000 0.648 365 G HN 0.434 nan 8.290 nan 0.000 0.538 366 V N 0.985 120.917 119.914 0.030 0.000 2.709 366 V HA 0.644 4.764 4.120 0.000 0.000 0.308 366 V C 0.062 176.164 176.094 0.013 0.000 1.062 366 V CA -1.183 61.130 62.300 0.022 0.000 0.901 366 V CB 1.676 33.512 31.823 0.022 0.000 1.003 366 V HN 0.278 nan 8.190 nan 0.000 0.425 367 I N 6.885 127.459 120.570 0.007 0.000 2.243 367 I HA 0.582 4.752 4.170 0.000 0.000 0.297 367 I C 0.456 176.578 176.117 0.008 0.000 1.161 367 I CA 0.292 61.594 61.300 0.003 0.000 1.298 367 I CB 0.306 38.304 38.000 -0.005 0.000 1.475 367 I HN 0.708 nan 8.210 nan 0.000 0.561 368 A N 5.189 128.016 122.820 0.013 0.000 2.532 368 A HA 0.730 5.050 4.320 0.000 0.000 0.290 368 A C -0.566 177.028 177.584 0.017 0.000 1.143 368 A CA -0.563 51.484 52.037 0.016 0.000 0.728 368 A CB 1.486 20.496 19.000 0.016 0.000 1.317 368 A HN 0.187 nan 8.150 nan 0.000 0.414 369 V N 1.194 121.119 119.914 0.019 0.000 2.529 369 V HA 0.447 4.567 4.120 0.000 0.000 0.292 369 V C 1.479 177.582 176.094 0.015 0.000 1.028 369 V CA 1.829 64.140 62.300 0.017 0.000 1.074 369 V CB 0.159 31.993 31.823 0.018 0.000 0.958 369 V HN 2.144 nan 8.190 nan 0.000 0.481 370 G N 3.679 112.487 108.800 0.013 0.000 2.194 370 G HA2 -0.091 3.869 3.960 0.000 0.000 0.236 370 G HA3 -0.091 3.869 3.960 0.000 0.000 0.236 370 G C 0.366 175.275 174.900 0.015 0.000 0.987 370 G CA 0.151 45.259 45.100 0.013 0.000 0.635 370 G HN 1.392 nan 8.290 nan 0.000 0.520 371 A N -0.023 122.806 122.820 0.015 0.000 2.287 371 A HA 0.772 5.092 4.320 0.000 0.000 0.273 371 A C 0.640 178.232 177.584 0.014 0.000 1.091 371 A CA -0.344 51.703 52.037 0.017 0.000 0.817 371 A CB 0.400 19.410 19.000 0.017 0.000 1.069 371 A HN 0.771 nan 8.150 nan 0.000 0.492 372 I N 1.042 121.623 120.570 0.018 0.000 2.556 372 I HA 0.155 4.325 4.170 0.000 0.000 0.284 372 I C 1.173 177.293 176.117 0.004 0.000 1.114 372 I CA 0.106 61.414 61.300 0.014 0.000 1.418 372 I CB 1.177 39.191 38.000 0.024 0.000 1.394 372 I HN 0.676 nan 8.210 nan 0.000 0.552 373 A N 5.066 127.883 122.820 -0.005 0.000 3.046 373 A HA 0.087 4.407 4.320 0.000 0.000 0.259 373 A C -0.277 177.293 177.584 -0.024 0.000 1.843 373 A CA -0.130 51.898 52.037 -0.015 0.000 1.451 373 A CB -1.024 17.964 19.000 -0.019 0.000 1.025 373 A HN 0.627 nan 8.150 nan 0.000 0.625 374 D N 1.172 121.559 120.400 -0.022 0.000 2.485 374 D HA 0.465 5.105 4.640 0.000 0.000 0.221 374 D C -0.491 175.769 176.300 -0.066 0.000 1.112 374 D CA 0.150 54.129 54.000 -0.036 0.000 0.911 374 D CB 0.732 41.524 40.800 -0.013 0.000 1.019 374 D HN 0.118 nan 8.370 nan 0.000 0.516 375 L N 1.873 123.046 121.223 -0.084 0.000 2.354 375 L HA 0.576 4.916 4.340 0.000 0.000 0.269 375 L C -0.171 176.605 176.870 -0.155 0.000 1.005 375 L CA -1.141 53.636 54.840 -0.105 0.000 0.819 375 L CB 1.913 43.928 42.059 -0.073 0.000 1.311 375 L HN 0.004 nan 8.230 nan 0.000 0.423 376 V N 2.568 122.357 119.914 -0.208 0.000 2.555 376 V HA 0.544 4.664 4.120 0.000 0.000 0.302 376 V C -0.222 175.800 176.094 -0.121 0.000 1.038 376 V CA -0.774 61.381 62.300 -0.241 0.000 0.887 376 V CB 2.491 33.998 31.823 -0.525 0.000 0.991 376 V HN 0.441 nan 8.190 nan 0.000 0.434 377 V N 6.072 125.959 119.914 -0.044 0.000 2.398 377 V HA 0.493 4.613 4.120 0.000 0.000 0.286 377 V C -0.572 175.511 176.094 -0.019 0.000 1.026 377 V CA -0.491 61.821 62.300 0.020 0.000 0.868 377 V CB 1.512 33.448 31.823 0.189 0.000 0.982 377 V HN 0.543 nan 8.190 nan 0.000 0.443 378 L N 4.236 125.442 121.223 -0.027 0.000 2.385 378 L HA 0.538 4.878 4.340 0.000 0.000 0.273 378 L C -0.423 176.425 176.870 -0.037 0.000 0.990 378 L CA -0.343 54.474 54.840 -0.039 0.000 0.821 378 L CB 1.797 43.835 42.059 -0.034 0.000 1.279 378 L HN 0.655 nan 8.230 nan 0.000 0.412 379 D N 3.197 123.571 120.400 -0.043 0.000 2.483 379 D HA 0.561 5.201 4.640 0.000 0.000 0.220 379 D C 0.223 176.503 176.300 -0.033 0.000 1.173 379 D CA 1.001 54.977 54.000 -0.039 0.000 0.964 379 D CB 0.089 40.862 40.800 -0.046 0.000 1.046 379 D HN 0.825 nan 8.370 nan 0.000 0.517 380 G N 2.566 111.347 108.800 -0.032 0.000 2.357 380 G HA2 -0.052 3.908 3.960 0.000 0.000 0.643 380 G HA3 -0.052 3.908 3.960 0.000 0.000 0.643 380 G C -1.103 173.777 174.900 -0.033 0.000 1.358 380 G CA -1.181 43.902 45.100 -0.029 0.000 0.986 380 G HN 0.496 nan 8.290 nan 0.000 0.620 381 N N 1.154 119.836 118.700 -0.029 0.000 2.501 381 N HA 0.614 5.354 4.740 0.000 0.000 0.245 381 N C -0.523 174.965 175.510 -0.036 0.000 0.974 381 N CA -1.874 51.157 53.050 -0.031 0.000 0.941 381 N CB 2.170 40.643 38.487 -0.024 0.000 1.122 381 N HN 0.190 nan 8.380 nan 0.000 0.507 382 P HA -0.135 nan 4.420 nan 0.000 0.220 382 P C 1.347 178.618 177.300 -0.049 0.000 1.148 382 P CA 0.415 63.471 63.100 -0.073 0.000 0.803 382 P CB 0.407 32.036 31.700 -0.118 0.000 0.782 383 L N -0.066 121.137 121.223 -0.034 0.000 2.187 383 L HA -0.127 4.213 4.340 0.000 0.000 0.213 383 L C 2.275 179.140 176.870 -0.008 0.000 1.100 383 L CA 1.903 56.733 54.840 -0.017 0.000 0.765 383 L CB -1.309 40.742 42.059 -0.013 0.000 0.904 383 L HN 0.006 nan 8.230 nan 0.000 0.437 384 E N -2.166 118.027 120.200 -0.011 0.000 2.306 384 E HA 0.006 4.356 4.350 0.000 0.000 0.201 384 E C -0.043 176.555 176.600 -0.002 0.000 0.874 384 E CA 0.043 56.441 56.400 -0.003 0.000 0.972 384 E CB 0.649 30.348 29.700 -0.003 0.000 0.957 384 E HN 0.165 nan 8.360 nan 0.000 0.492 385 D N 0.301 120.696 120.400 -0.010 0.000 2.460 385 D HA 0.094 4.734 4.640 0.000 0.000 0.232 385 D C 0.277 176.566 176.300 -0.020 0.000 1.079 385 D CA -0.277 53.718 54.000 -0.007 0.000 0.864 385 D CB 1.095 41.891 40.800 -0.006 0.000 1.048 385 D HN -0.045 nan 8.370 nan 0.000 0.523 386 I N 3.357 123.922 120.570 -0.008 0.000 2.614 386 I HA 0.067 4.237 4.170 0.000 0.000 0.258 386 I C 2.055 178.160 176.117 -0.020 0.000 1.189 386 I CA 1.082 62.371 61.300 -0.018 0.000 1.462 386 I CB -0.249 37.771 38.000 0.033 0.000 1.092 386 I HN 0.590 nan 8.210 nan 0.000 0.442 387 G N -0.042 108.760 108.800 0.004 0.000 2.479 387 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 387 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 387 G C 1.704 176.600 174.900 -0.008 0.000 1.115 387 G CA 1.110 46.219 45.100 0.015 0.000 0.757 387 G HN 0.485 nan 8.290 nan 0.000 0.560 388 V N -1.245 118.647 119.914 -0.036 0.000 3.078 388 V HA 0.005 4.125 4.120 0.000 0.000 0.265 388 V C 2.120 178.167 176.094 -0.080 0.000 1.122 388 V CA 1.764 64.036 62.300 -0.047 0.000 1.141 388 V CB -0.084 31.711 31.823 -0.047 0.000 0.735 388 V HN 0.149 nan 8.190 nan 0.000 0.498 389 V N -0.004 119.816 119.914 -0.158 0.000 3.307 389 V HA 0.466 4.586 4.120 0.000 0.000 0.244 389 V C 2.341 178.330 176.094 -0.175 0.000 1.196 389 V CA 0.839 62.952 62.300 -0.311 0.000 1.132 389 V CB 0.030 31.353 31.823 -0.832 0.000 0.875 389 V HN 0.517 nan 8.190 nan 0.000 0.468 390 A N -0.262 122.537 122.820 -0.035 0.000 2.476 390 A HA 0.191 4.511 4.320 0.000 0.000 0.263 390 A C 0.751 178.431 177.584 0.159 0.000 1.342 390 A CA 0.396 52.531 52.037 0.163 0.000 0.926 390 A CB -0.518 18.609 19.000 0.212 0.000 1.019 390 A HN 0.403 nan 8.150 nan 0.000 0.515 391 D N 0.538 121.006 120.400 0.115 0.000 2.894 391 D HA 0.284 4.924 4.640 0.000 0.000 0.273 391 D C -0.239 176.136 176.300 0.125 0.000 1.328 391 D CA -0.051 54.017 54.000 0.112 0.000 0.845 391 D CB -0.488 40.355 40.800 0.070 0.000 1.072 391 D HN 0.416 nan 8.370 nan 0.000 0.484 392 E N -0.548 119.755 120.200 0.173 0.000 2.297 392 E HA -0.229 4.121 4.350 0.000 0.000 0.228 392 E C 0.984 177.663 176.600 0.132 0.000 1.213 392 E CA 0.378 56.879 56.400 0.169 0.000 0.712 392 E CB -1.285 28.492 29.700 0.129 0.000 1.202 392 E HN 0.610 nan 8.360 nan 0.000 0.376 393 G N -0.434 108.449 108.800 0.139 0.000 2.742 393 G HA2 -0.102 3.859 3.960 0.000 0.000 0.255 393 G HA3 -0.102 3.859 3.960 0.000 0.000 0.255 393 G C 0.955 175.887 174.900 0.053 0.000 1.322 393 G CA 1.728 46.883 45.100 0.091 0.000 0.967 393 G HN 1.594 nan 8.290 nan 0.000 0.556 394 A N -1.498 121.341 122.820 0.032 0.000 1.691 394 A HA -0.368 3.952 4.320 0.000 0.000 0.227 394 A C 1.634 179.213 177.584 -0.008 0.000 0.423 394 A CA 2.926 54.972 52.037 0.014 0.000 1.102 394 A CB -1.356 17.660 19.000 0.026 0.000 1.455 394 A HN 1.790 nan 8.150 nan 0.000 0.714 395 R N -0.996 119.498 120.500 -0.010 0.000 2.652 395 R HA 0.447 4.787 4.340 0.000 0.000 0.372 395 R C -0.399 175.875 176.300 -0.043 0.000 1.104 395 R CA 0.747 56.830 56.100 -0.028 0.000 1.072 395 R CB 1.124 31.410 30.300 -0.022 0.000 1.367 395 R HN 0.719 nan 8.270 nan 0.000 0.577 396 V N 1.732 121.617 119.914 -0.049 0.000 2.350 396 V HA 0.233 4.353 4.120 0.000 0.000 0.285 396 V C 0.406 176.428 176.094 -0.119 0.000 1.014 396 V CA -0.334 61.923 62.300 -0.072 0.000 0.831 396 V CB 1.483 33.273 31.823 -0.056 0.000 1.000 396 V HN 0.399 nan 8.190 nan 0.000 0.433 397 E N 5.572 125.659 120.200 -0.188 0.000 2.490 397 E HA 0.106 4.456 4.350 0.000 0.000 0.209 397 E C -0.959 175.292 176.600 -0.583 0.000 0.971 397 E CA -0.018 56.158 56.400 -0.373 0.000 0.988 397 E CB 0.564 29.987 29.700 -0.462 0.000 1.029 397 E HN 0.632 nan 8.360 nan 0.000 0.496 398 Y N 0.298 120.559 120.300 -0.065 0.000 2.442 398 Y HA 0.441 4.991 4.550 0.000 0.000 0.344 398 Y C -0.533 175.309 175.900 -0.098 0.000 0.976 398 Y CA -1.147 56.910 58.100 -0.070 0.000 1.040 398 Y CB 2.458 40.878 38.460 -0.066 0.000 1.228 398 Y HN -0.241 nan 8.280 nan 0.000 0.451 399 V N 5.079 125.041 119.914 0.080 0.000 2.444 399 V HA 0.442 4.562 4.120 0.000 0.000 0.294 399 V C -0.802 175.288 176.094 -0.008 0.000 1.022 399 V CA -0.715 61.576 62.300 -0.016 0.000 0.850 399 V CB 1.564 33.356 31.823 -0.051 0.000 0.992 399 V HN 0.500 nan 8.190 nan 0.000 0.426 400 L N 4.280 125.479 121.223 -0.040 0.000 2.307 400 L HA 0.614 4.954 4.340 0.000 0.000 0.284 400 L C -0.148 176.694 176.870 -0.047 0.000 1.023 400 L CA 0.228 55.042 54.840 -0.043 0.000 0.810 400 L CB 1.693 43.719 42.059 -0.055 0.000 1.231 400 L HN 0.711 nan 8.230 nan 0.000 0.423 401 Q N 3.278 123.057 119.800 -0.036 0.000 2.290 401 Q HA 0.436 4.776 4.340 0.000 0.000 0.269 401 Q C -0.588 175.395 176.000 -0.028 0.000 1.016 401 Q CA -0.672 55.113 55.803 -0.031 0.000 0.754 401 Q CB 1.064 29.786 28.738 -0.027 0.000 1.247 401 Q HN 0.426 nan 8.270 nan 0.000 0.451 402 R N 2.882 123.368 120.500 -0.024 0.000 3.225 402 R HA -0.337 4.003 4.340 0.000 0.000 0.245 402 R C 0.628 176.914 176.300 -0.023 0.000 0.928 402 R CA 0.766 56.854 56.100 -0.021 0.000 0.632 402 R CB -1.873 28.413 30.300 -0.024 0.000 1.038 402 R HN 1.168 nan 8.270 nan 0.000 0.461 403 G N -1.399 107.385 108.800 -0.026 0.000 2.729 403 G HA2 -0.383 3.577 3.960 0.000 0.000 0.216 403 G HA3 -0.383 3.577 3.960 0.000 0.000 0.216 403 G C 0.222 175.101 174.900 -0.035 0.000 1.252 403 G CA 0.415 45.498 45.100 -0.029 0.000 0.751 403 G HN 0.759 nan 8.290 nan 0.000 0.527 404 T N 0.938 115.473 114.554 -0.032 0.000 2.910 404 T HA 0.597 4.947 4.350 0.000 0.000 0.293 404 T C 0.332 175.013 174.700 -0.032 0.000 1.015 404 T CA 0.184 62.265 62.100 -0.032 0.000 1.094 404 T CB 1.483 70.335 68.868 -0.027 0.000 0.968 404 T HN 1.328 nan 8.240 nan 0.000 0.521 405 L N 5.540 126.744 121.223 -0.032 0.000 2.361 405 L HA 0.396 4.736 4.340 0.000 0.000 0.278 405 L C 0.609 177.480 176.870 0.001 0.000 1.113 405 L CA 0.209 55.038 54.840 -0.019 0.000 0.849 405 L CB 0.707 42.749 42.059 -0.028 0.000 1.155 405 L HN 0.669 nan 8.230 nan 0.000 0.452 406 V N 2.388 122.307 119.914 0.008 0.000 3.570 406 V HA 0.347 4.467 4.120 0.000 0.000 0.257 406 V C 0.523 176.627 176.094 0.016 0.000 1.272 406 V CA 0.196 62.499 62.300 0.005 0.000 1.079 406 V CB -0.532 31.287 31.823 -0.007 0.000 0.829 406 V HN 0.615 nan 8.190 nan 0.000 0.454 407 K N 1.574 121.995 120.400 0.034 0.000 2.427 407 K HA 0.587 4.907 4.320 0.000 0.000 0.252 407 K C -1.041 175.602 176.600 0.072 0.000 0.931 407 K CA -0.419 55.886 56.287 0.031 0.000 0.793 407 K CB 3.039 35.542 32.500 0.004 0.000 1.211 407 K HN 0.124 nan 8.250 nan 0.000 0.426 408 R N 3.126 123.645 120.500 0.030 0.000 2.468 408 R HA 0.234 4.574 4.340 0.000 0.000 0.302 408 R C -0.827 175.412 176.300 -0.103 0.000 1.041 408 R CA -0.124 55.968 56.100 -0.015 0.000 0.899 408 R CB 0.952 31.304 30.300 0.088 0.000 1.167 408 R HN 0.693 nan 8.270 nan 0.000 0.483 409 Q N 0.000 119.676 119.800 -0.207 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.713 55.803 -0.150 0.000 1.022 409 Q CB 0.000 28.669 28.738 -0.115 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481