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_L DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXXE 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 0.000 174.694 174.700 -0.010 0.000 1.109 2 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 2 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 3 I N -0.255 120.308 120.570 -0.011 0.000 2.842 3 I HA 0.662 4.835 4.170 0.004 0.000 0.297 3 I C -1.895 174.213 176.117 -0.015 0.000 1.380 3 I CA -0.140 61.154 61.300 -0.011 0.000 1.018 3 I CB 2.295 40.290 38.000 -0.008 0.000 1.311 3 I HN 1.000 nan 8.210 nan 0.000 0.439 4 T N 5.184 119.728 114.554 -0.017 0.000 2.909 4 T HA 0.644 4.997 4.350 0.004 0.000 0.299 4 T C -1.515 173.173 174.700 -0.020 0.000 1.073 4 T CA -0.507 61.578 62.100 -0.026 0.000 0.999 4 T CB 2.160 71.005 68.868 -0.039 0.000 1.098 4 T HN 0.320 nan 8.240 nan 0.000 0.477 5 V N 3.699 123.600 119.914 -0.022 0.000 2.482 5 V HA 0.388 4.511 4.120 0.004 0.000 0.295 5 V C -0.912 175.160 176.094 -0.036 0.000 1.026 5 V CA -0.979 61.319 62.300 -0.003 0.000 0.856 5 V CB 1.643 33.488 31.823 0.038 0.000 1.001 5 V HN 0.647 nan 8.190 nan 0.000 0.424 6 L N 5.864 127.058 121.223 -0.048 0.000 2.315 6 L HA 0.418 4.761 4.340 0.004 0.000 0.283 6 L C 0.412 177.227 176.870 -0.091 0.000 1.089 6 L CA 0.311 55.097 54.840 -0.091 0.000 0.833 6 L CB 0.708 42.709 42.059 -0.096 0.000 1.170 6 L HN 0.812 nan 8.230 nan 0.000 0.442 7 Q N 1.212 120.926 119.800 -0.143 0.000 2.316 7 Q HA 0.609 4.951 4.340 0.004 0.000 0.264 7 Q C 0.620 176.357 176.000 -0.438 0.000 0.987 7 Q CA -0.458 55.155 55.803 -0.317 0.000 0.852 7 Q CB 1.758 30.436 28.738 -0.099 0.000 1.287 7 Q HN 0.795 nan 8.270 nan 0.000 0.448 8 G N 2.002 110.331 108.800 -0.784 0.000 2.176 8 G HA2 -0.248 3.715 3.960 0.004 0.000 0.252 8 G HA3 -0.248 3.715 3.960 0.004 0.000 0.252 8 G C 0.343 175.061 174.900 -0.305 0.000 1.024 8 G CA -0.170 44.682 45.100 -0.412 0.000 0.755 8 G HN 0.995 nan 8.290 nan 0.000 0.507 9 G N -0.631 108.033 108.800 -0.226 0.000 2.539 9 G HA2 0.465 4.428 3.960 0.004 0.000 0.258 9 G HA3 0.465 4.428 3.960 0.004 0.000 0.258 9 G C 0.097 174.928 174.900 -0.115 0.000 1.202 9 G CA -0.338 44.672 45.100 -0.150 0.000 0.851 9 G HN 0.502 nan 8.290 nan 0.000 0.556 10 N N 0.350 118.986 118.700 -0.107 0.000 2.868 10 N HA 0.264 5.007 4.740 0.004 0.000 0.252 10 N C -0.361 175.115 175.510 -0.056 0.000 1.130 10 N CA -0.528 52.482 53.050 -0.068 0.000 1.026 10 N CB 1.613 40.057 38.487 -0.071 0.000 1.335 10 N HN 0.188 nan 8.380 nan 0.000 0.516 11 V N 2.573 122.454 119.914 -0.056 0.000 2.434 11 V HA -0.057 4.066 4.120 0.004 0.000 0.281 11 V C 0.763 176.808 176.094 -0.081 0.000 1.005 11 V CA -0.116 62.143 62.300 -0.068 0.000 1.089 11 V CB 0.209 31.989 31.823 -0.072 0.000 0.978 11 V HN 0.631 nan 8.190 nan 0.000 0.474 12 L N 5.509 126.701 121.223 -0.051 0.000 2.418 12 L HA 0.228 4.571 4.340 0.004 0.000 0.274 12 L C 0.421 177.269 176.870 -0.037 0.000 1.135 12 L CA 0.267 55.083 54.840 -0.039 0.000 0.870 12 L CB 0.448 42.496 42.059 -0.017 0.000 1.154 12 L HN 0.696 nan 8.230 nan 0.000 0.462 13 D N 4.635 125.009 120.400 -0.043 0.000 2.303 13 D HA 0.181 4.824 4.640 0.004 0.000 0.236 13 D C 0.522 176.816 176.300 -0.009 0.000 1.068 13 D CA -0.398 53.584 54.000 -0.030 0.000 0.830 13 D CB 1.843 42.614 40.800 -0.048 0.000 1.109 13 D HN 0.498 nan 8.370 nan 0.000 0.496 14 L N 3.179 124.406 121.223 0.007 0.000 2.408 14 L HA 0.000 4.343 4.340 0.004 0.000 0.215 14 L C 2.374 179.258 176.870 0.023 0.000 1.081 14 L CA 0.220 55.073 54.840 0.021 0.000 0.840 14 L CB 0.053 42.134 42.059 0.037 0.000 1.002 14 L HN 0.481 nan 8.230 nan 0.000 0.468 15 E N 0.444 120.655 120.200 0.019 0.000 2.285 15 E HA -0.169 4.183 4.350 0.004 0.000 0.194 15 E C 1.773 178.382 176.600 0.014 0.000 0.997 15 E CA 0.849 57.260 56.400 0.020 0.000 0.845 15 E CB 0.015 29.727 29.700 0.019 0.000 0.782 15 E HN 0.450 nan 8.360 nan 0.000 0.491 16 R N -0.185 120.320 120.500 0.008 0.000 2.225 16 R HA 0.184 4.526 4.340 0.004 0.000 0.194 16 R C 1.145 177.448 176.300 0.005 0.000 0.957 16 R CA 0.694 56.797 56.100 0.005 0.000 1.042 16 R CB 0.579 30.878 30.300 -0.001 0.000 1.004 16 R HN 0.301 nan 8.270 nan 0.000 0.509 17 G N 0.866 109.669 108.800 0.004 0.000 2.140 17 G HA2 -0.206 3.756 3.960 0.004 0.000 0.211 17 G HA3 -0.206 3.756 3.960 0.004 0.000 0.211 17 G C -0.207 174.693 174.900 0.000 0.000 1.013 17 G CA 0.048 45.152 45.100 0.007 0.000 0.705 17 G HN 0.246 nan 8.290 nan 0.000 0.508 18 V N -2.423 117.486 119.914 -0.008 0.000 2.841 18 V HA 0.783 4.905 4.120 0.004 0.000 0.310 18 V C 0.720 176.797 176.094 -0.029 0.000 1.090 18 V CA -1.675 60.617 62.300 -0.013 0.000 0.930 18 V CB 2.041 33.858 31.823 -0.010 0.000 1.014 18 V HN 0.295 nan 8.190 nan 0.000 0.425 19 L N 3.747 124.954 121.223 -0.025 0.000 2.485 19 L HA 0.320 4.663 4.340 0.004 0.000 0.275 19 L C -0.380 176.459 176.870 -0.052 0.000 1.207 19 L CA 0.004 54.821 54.840 -0.037 0.000 0.855 19 L CB 0.654 42.699 42.059 -0.022 0.000 1.114 19 L HN 0.583 nan 8.230 nan 0.000 0.485 20 L N 4.334 125.493 121.223 -0.106 0.000 2.356 20 L HA 0.265 4.607 4.340 0.004 0.000 0.264 20 L C 0.228 177.116 176.870 0.031 0.000 1.029 20 L CA -0.732 54.005 54.840 -0.171 0.000 0.897 20 L CB 0.860 42.532 42.059 -0.645 0.000 1.256 20 L HN 0.605 nan 8.230 nan 0.000 0.444 21 E N 2.768 123.059 120.200 0.151 0.000 2.404 21 E HA -0.007 4.345 4.350 0.004 0.000 0.261 21 E C 0.136 176.918 176.600 0.302 0.000 1.074 21 E CA -0.388 56.103 56.400 0.151 0.000 0.917 21 E CB 0.311 30.106 29.700 0.158 0.000 0.965 21 E HN 0.536 nan 8.360 nan 0.000 0.433 22 H N -0.078 119.054 119.070 0.102 0.000 2.776 22 H HA -0.170 4.389 4.556 0.004 0.000 0.300 22 H C -0.662 174.694 175.328 0.047 0.000 1.161 22 H CA 1.130 57.198 56.048 0.034 0.000 1.147 22 H CB -1.933 27.842 29.762 0.022 0.000 1.366 22 H HN 0.518 nan 8.280 nan 0.000 0.397 23 H N 0.547 119.654 119.070 0.062 0.000 2.620 23 H HA 0.231 4.789 4.556 0.003 0.000 0.313 23 H C 0.867 176.215 175.328 0.033 0.000 1.075 23 H CA -0.157 55.953 56.048 0.103 0.000 1.397 23 H CB 0.591 30.388 29.762 0.060 0.000 1.446 23 H HN 0.298 nan 8.280 nan 0.000 0.493 24 H N 1.554 120.668 119.070 0.073 0.000 2.562 24 H HA 0.299 4.857 4.556 0.004 0.000 0.352 24 H C -0.297 175.058 175.328 0.045 0.000 1.125 24 H CA -0.499 55.572 56.048 0.038 0.000 1.379 24 H CB 2.005 31.773 29.762 0.009 0.000 1.464 24 H HN 0.283 nan 8.280 nan 0.000 0.563 25 V N 3.711 123.693 119.914 0.113 0.000 2.483 25 V HA 0.267 4.389 4.120 0.004 0.000 0.297 25 V C -0.928 175.192 176.094 0.043 0.000 1.027 25 V CA -0.590 61.750 62.300 0.067 0.000 0.855 25 V CB 1.332 33.173 31.823 0.030 0.000 0.995 25 V HN 0.447 nan 8.190 nan 0.000 0.424 26 V N 8.172 128.110 119.914 0.039 0.000 2.347 26 V HA 0.532 4.655 4.120 0.004 0.000 0.280 26 V C -0.131 175.968 176.094 0.008 0.000 1.021 26 V CA -0.572 61.742 62.300 0.023 0.000 0.847 26 V CB 1.326 33.162 31.823 0.021 0.000 0.990 26 V HN 0.701 nan 8.190 nan 0.000 0.444 27 I N 3.807 124.376 120.570 -0.002 0.000 2.336 27 I HA 0.498 4.670 4.170 0.004 0.000 0.292 27 I C -0.390 175.722 176.117 -0.007 0.000 0.991 27 I CA -0.331 60.965 61.300 -0.007 0.000 1.227 27 I CB 1.422 39.411 38.000 -0.018 0.000 1.366 27 I HN 0.637 nan 8.210 nan 0.000 0.466 28 D N 3.889 124.286 120.400 -0.005 0.000 2.629 28 D HA 0.585 5.227 4.640 0.004 0.000 0.250 28 D C 0.641 176.938 176.300 -0.005 0.000 1.126 28 D CA 0.555 54.552 54.000 -0.005 0.000 0.852 28 D CB 1.745 42.543 40.800 -0.003 0.000 1.335 28 D HN 0.825 nan 8.370 nan 0.000 0.518 29 G N 3.969 112.765 108.800 -0.007 0.000 2.574 29 G HA2 -0.345 3.617 3.960 0.004 0.000 0.301 29 G HA3 -0.345 3.617 3.960 0.004 0.000 0.301 29 G C 0.657 175.552 174.900 -0.009 0.000 1.166 29 G CA 0.598 45.694 45.100 -0.007 0.000 0.971 29 G HN 0.586 nan 8.290 nan 0.000 0.542 30 E N 1.002 121.199 120.200 -0.006 0.000 2.538 30 E HA 0.241 4.593 4.350 0.004 0.000 0.207 30 E C 0.839 177.438 176.600 -0.003 0.000 1.002 30 E CA -0.155 56.241 56.400 -0.007 0.000 0.952 30 E CB 0.597 30.293 29.700 -0.006 0.000 1.031 30 E HN 0.355 nan 8.360 nan 0.000 0.476 31 R N 0.962 121.461 120.500 -0.001 0.000 2.670 31 R HA 0.456 4.799 4.340 0.004 0.000 0.289 31 R C -0.394 175.908 176.300 0.002 0.000 0.965 31 R CA -0.802 55.300 56.100 0.003 0.000 0.899 31 R CB 2.059 32.363 30.300 0.007 0.000 1.173 31 R HN -0.008 nan 8.270 nan 0.000 0.456 32 I N 2.994 123.566 120.570 0.004 0.000 2.421 32 I HA -0.035 4.138 4.170 0.004 0.000 0.291 32 I C 1.305 177.428 176.117 0.011 0.000 1.089 32 I CA -0.029 61.275 61.300 0.007 0.000 1.354 32 I CB 1.015 39.019 38.000 0.008 0.000 1.413 32 I HN 0.443 nan 8.210 nan 0.000 0.513 33 V N 4.633 124.554 119.914 0.011 0.000 2.825 33 V HA 0.125 4.247 4.120 0.004 0.000 0.246 33 V C 0.712 176.815 176.094 0.016 0.000 1.068 33 V CA 0.865 63.171 62.300 0.011 0.000 1.088 33 V CB -0.363 31.464 31.823 0.007 0.000 0.733 33 V HN 0.725 nan 8.190 nan 0.000 0.468 34 E N -0.481 119.733 120.200 0.022 0.000 2.321 34 E HA 0.512 4.864 4.350 0.004 0.000 0.281 34 E C -1.947 174.683 176.600 0.050 0.000 0.910 34 E CA -0.282 56.137 56.400 0.031 0.000 0.770 34 E CB 3.112 32.827 29.700 0.024 0.000 1.225 34 E HN 0.034 nan 8.360 nan 0.000 0.417 35 V N 2.374 122.327 119.914 0.066 0.000 2.407 35 V HA 0.624 4.746 4.120 0.004 0.000 0.291 35 V C -0.230 175.961 176.094 0.162 0.000 1.018 35 V CA -0.456 61.908 62.300 0.108 0.000 0.842 35 V CB 1.567 33.440 31.823 0.084 0.000 0.996 35 V HN 0.684 nan 8.190 nan 0.000 0.426 36 T N 1.874 116.543 114.554 0.192 0.000 2.942 36 T HA 0.327 4.679 4.350 0.004 0.000 0.327 36 T C -0.542 174.145 174.700 -0.021 0.000 1.360 36 T CA -0.379 61.786 62.100 0.110 0.000 1.055 36 T CB 1.822 70.704 68.868 0.024 0.000 1.261 36 T HN 0.832 nan 8.240 nan 0.000 0.485 37 D N 1.735 121.945 120.400 -0.317 0.000 2.336 37 D HA 0.127 4.770 4.640 0.004 0.000 0.228 37 D C 0.621 176.829 176.300 -0.152 0.000 1.120 37 D CA -0.446 53.355 54.000 -0.333 0.000 0.839 37 D CB 0.084 40.488 40.800 -0.661 0.000 0.932 37 D HN 0.074 nan 8.370 nan 0.000 0.509 38 R N 2.075 122.480 120.500 -0.159 0.000 2.698 38 R HA 0.157 4.499 4.340 0.004 0.000 0.266 38 R C -2.116 173.992 176.300 -0.320 0.000 1.026 38 R CA -1.790 54.201 56.100 -0.182 0.000 1.102 38 R CB -0.724 29.484 30.300 -0.154 0.000 0.978 38 R HN 0.161 nan 8.270 nan 0.000 0.436 39 P HA -0.018 nan 4.420 nan 0.000 0.265 39 P C -0.238 176.909 177.300 -0.255 0.000 1.222 39 P CA 0.176 63.130 63.100 -0.243 0.000 0.767 39 P CB 0.628 32.259 31.700 -0.115 0.000 0.801 40 V N 3.385 123.094 119.914 -0.341 0.000 2.612 40 V HA 0.182 4.305 4.120 0.004 0.000 0.301 40 V C 0.304 176.330 176.094 -0.113 0.000 1.046 40 V CA -0.400 61.764 62.300 -0.227 0.000 0.946 40 V CB 1.715 33.382 31.823 -0.260 0.000 1.003 40 V HN 0.363 nan 8.190 nan 0.000 0.459 41 D N 4.142 124.498 120.400 -0.073 0.000 2.741 41 D HA 0.251 4.893 4.640 0.004 0.000 0.233 41 D C -0.028 176.255 176.300 -0.029 0.000 1.160 41 D CA -0.228 53.745 54.000 -0.046 0.000 1.003 41 D CB -0.285 40.491 40.800 -0.039 0.000 1.064 41 D HN 0.463 nan 8.370 nan 0.000 0.503 42 L N 0.447 121.657 121.223 -0.022 0.000 2.295 42 L HA 0.563 4.905 4.340 0.004 0.000 0.288 42 L C -1.647 175.218 176.870 -0.009 0.000 1.079 42 L CA -1.045 53.789 54.840 -0.010 0.000 0.830 42 L CB 0.720 42.779 42.059 0.001 0.000 1.200 42 L HN -0.030 nan 8.230 nan 0.000 0.438 43 P HA 0.126 nan 4.420 nan 0.000 0.212 43 P C 0.292 177.588 177.300 -0.007 0.000 1.163 43 P CA 0.697 63.793 63.100 -0.008 0.000 0.892 43 P CB 0.286 31.981 31.700 -0.008 0.000 0.766 44 N N -0.748 117.948 118.700 -0.007 0.000 2.328 44 N HA 0.380 5.123 4.740 0.004 0.000 0.247 44 N C -0.528 174.977 175.510 -0.008 0.000 1.165 44 N CA -0.212 52.834 53.050 -0.007 0.000 0.873 44 N CB 0.315 38.798 38.487 -0.007 0.000 1.125 44 N HN 0.135 nan 8.380 nan 0.000 0.513 45 A N 0.421 123.236 122.820 -0.008 0.000 2.366 45 A HA 0.276 4.598 4.320 0.004 0.000 0.272 45 A C 0.193 177.769 177.584 -0.014 0.000 1.135 45 A CA -0.301 51.730 52.037 -0.010 0.000 0.804 45 A CB 0.363 19.360 19.000 -0.005 0.000 1.064 45 A HN 0.216 nan 8.150 nan 0.000 0.499 46 Q N 1.518 121.305 119.800 -0.021 0.000 2.320 46 Q HA 0.354 4.696 4.340 0.004 0.000 0.262 46 Q C 0.300 176.276 176.000 -0.039 0.000 1.225 46 Q CA 0.566 56.351 55.803 -0.030 0.000 0.916 46 Q CB 0.161 28.877 28.738 -0.037 0.000 1.417 46 Q HN 0.785 nan 8.270 nan 0.000 0.462 47 A N 4.579 127.380 122.820 -0.031 0.000 2.451 47 A HA 0.382 4.704 4.320 0.004 0.000 0.266 47 A C -0.429 177.113 177.584 -0.070 0.000 1.119 47 A CA -0.243 51.773 52.037 -0.035 0.000 0.786 47 A CB 0.026 19.019 19.000 -0.012 0.000 1.061 47 A HN 0.760 nan 8.150 nan 0.000 0.503 48 I N 2.258 122.760 120.570 -0.113 0.000 2.362 48 I HA 0.185 4.357 4.170 0.004 0.000 0.289 48 I C -0.382 175.638 176.117 -0.161 0.000 0.994 48 I CA -0.409 60.778 61.300 -0.188 0.000 1.158 48 I CB 1.895 39.682 38.000 -0.355 0.000 1.315 48 I HN 0.648 nan 8.210 nan 0.000 0.451 49 D N 5.673 126.008 120.400 -0.109 0.000 2.336 49 D HA 0.272 4.915 4.640 0.004 0.000 0.249 49 D C -0.174 176.091 176.300 -0.058 0.000 1.213 49 D CA 0.009 53.970 54.000 -0.066 0.000 0.870 49 D CB 0.922 41.710 40.800 -0.020 0.000 1.076 49 D HN 0.246 nan 8.370 nan 0.000 0.483 50 V N 5.348 125.210 119.914 -0.086 0.000 2.802 50 V HA 0.157 4.279 4.120 0.004 0.000 0.350 50 V C 0.439 176.477 176.094 -0.092 0.000 1.233 50 V CA -0.817 61.443 62.300 -0.067 0.000 1.337 50 V CB -0.560 31.210 31.823 -0.089 0.000 1.497 50 V HN 0.515 nan 8.190 nan 0.000 0.616 51 R N 1.951 122.409 120.500 -0.069 0.000 2.449 51 R HA 0.247 4.589 4.340 0.004 0.000 0.296 51 R C 0.828 177.077 176.300 -0.085 0.000 1.047 51 R CA 0.998 57.047 56.100 -0.085 0.000 1.018 51 R CB 0.195 30.487 30.300 -0.014 0.000 0.962 51 R HN 0.803 nan 8.270 nan 0.000 0.428 52 G N 3.006 111.712 108.800 -0.157 0.000 2.341 52 G HA2 -0.333 3.629 3.960 0.004 0.000 0.292 52 G HA3 -0.333 3.629 3.960 0.004 0.000 0.292 52 G C -0.504 174.355 174.900 -0.069 0.000 1.021 52 G CA 0.949 45.984 45.100 -0.108 0.000 0.905 52 G HN 0.687 nan 8.290 nan 0.000 0.508 53 K N -0.225 120.130 120.400 -0.076 0.000 2.468 53 K HA 0.456 4.778 4.320 0.004 0.000 0.252 53 K C -0.069 176.501 176.600 -0.050 0.000 0.932 53 K CA -0.692 55.569 56.287 -0.043 0.000 0.794 53 K CB 1.542 34.036 32.500 -0.009 0.000 1.241 53 K HN 0.054 nan 8.250 nan 0.000 0.428 54 T N 1.702 116.232 114.554 -0.039 0.000 2.799 54 T HA 0.055 4.407 4.350 0.004 0.000 0.296 54 T C -0.335 174.344 174.700 -0.035 0.000 0.947 54 T CA -0.299 61.777 62.100 -0.039 0.000 1.141 54 T CB 0.505 69.353 68.868 -0.033 0.000 0.891 54 T HN 0.282 nan 8.240 nan 0.000 0.533 55 V N 7.390 127.278 119.914 -0.042 0.000 2.350 55 V HA 0.746 4.868 4.120 0.004 0.000 0.276 55 V C -0.362 175.705 176.094 -0.044 0.000 1.028 55 V CA -0.762 61.512 62.300 -0.044 0.000 0.860 55 V CB 0.432 32.227 31.823 -0.048 0.000 0.990 55 V HN 0.936 nan 8.190 nan 0.000 0.453 56 M N 6.284 125.852 119.600 -0.053 0.000 2.719 56 M HA 0.826 5.308 4.480 0.004 0.000 0.291 56 M C -2.938 173.319 176.300 -0.071 0.000 1.264 56 M CA -2.320 52.957 55.300 -0.038 0.000 0.811 56 M CB 2.026 34.630 32.600 0.007 0.000 1.756 56 M HN 0.248 nan 8.290 nan 0.000 0.464 57 P HA 0.181 nan 4.420 nan 0.000 0.268 57 P C -0.034 177.173 177.300 -0.156 0.000 1.204 57 P CA 0.173 63.241 63.100 -0.054 0.000 0.768 57 P CB 0.264 31.972 31.700 0.012 0.000 0.842 58 G N 3.084 111.756 108.800 -0.214 0.000 2.265 58 G HA2 0.145 4.107 3.960 0.004 0.000 0.240 58 G HA3 0.145 4.107 3.960 0.004 0.000 0.240 58 G C -0.434 174.330 174.900 -0.226 0.000 1.270 58 G CA -0.270 44.610 45.100 -0.367 0.000 0.901 58 G HN 0.228 nan 8.290 nan 0.000 0.507 59 F N 0.736 120.595 119.950 -0.152 0.000 2.450 59 F HA 0.413 4.942 4.527 0.004 0.000 0.339 59 F C 0.923 176.753 175.800 0.050 0.000 1.146 59 F CA -0.914 56.983 58.000 -0.170 0.000 1.267 59 F CB 0.536 39.181 39.000 -0.591 0.000 1.178 59 F HN 0.188 nan 8.300 nan 0.000 0.585 60 I N 1.949 122.713 120.570 0.324 0.000 2.418 60 I HA 0.203 4.375 4.170 0.004 0.000 0.287 60 I C -0.778 175.538 176.117 0.330 0.000 1.008 60 I CA -0.696 60.791 61.300 0.312 0.000 1.104 60 I CB 1.629 39.745 38.000 0.193 0.000 1.264 60 I HN 0.429 nan 8.210 nan 0.000 0.438 61 D N 5.378 125.978 120.400 0.334 0.000 2.329 61 D HA 0.224 4.866 4.640 0.004 0.000 0.232 61 D C 0.333 176.742 176.300 0.180 0.000 1.088 61 D CA -0.367 53.786 54.000 0.255 0.000 0.835 61 D CB 1.700 42.461 40.800 -0.066 0.000 1.078 61 D HN 0.553 nan 8.370 nan 0.000 0.495 62 C N 2.560 121.976 119.300 0.193 0.000 2.562 62 C HA 0.080 4.543 4.460 0.004 0.000 0.266 62 C C 0.907 175.946 174.990 0.080 0.000 1.382 62 C CA 0.089 59.168 59.018 0.100 0.000 1.742 62 C CB -1.546 26.233 27.740 0.066 0.000 1.812 62 C HN 0.622 nan 8.230 nan 0.000 0.559 63 H N -0.286 118.760 119.070 -0.041 0.000 2.895 63 H HA 0.474 5.032 4.556 0.004 0.000 0.282 63 H C -0.732 174.502 175.328 -0.156 0.000 1.338 63 H CA -0.236 55.741 56.048 -0.119 0.000 1.595 63 H CB 0.425 30.100 29.762 -0.145 0.000 1.771 63 H HN 0.104 nan 8.280 nan 0.000 0.573 64 V N 0.762 120.582 119.914 -0.158 0.000 3.046 64 V HA 0.536 4.658 4.120 0.004 0.000 0.316 64 V C -0.364 175.498 176.094 -0.387 0.000 1.104 64 V CA -0.844 61.377 62.300 -0.132 0.000 1.006 64 V CB 2.339 34.141 31.823 -0.034 0.000 1.058 64 V HN 0.691 nan 8.190 nan 0.000 0.440 65 H N 1.574 120.706 119.070 0.103 0.000 2.645 65 H HA 0.384 4.943 4.556 0.004 0.000 0.257 65 H C 0.762 176.170 175.328 0.132 0.000 1.269 65 H CA -0.286 55.818 56.048 0.092 0.000 1.409 65 H CB 1.703 31.523 29.762 0.097 0.000 1.434 65 H HN 0.533 nan 8.280 nan 0.000 0.505 66 V N 2.227 122.216 119.914 0.125 0.000 2.380 66 V HA -0.269 3.853 4.120 0.004 0.000 0.251 66 V C 2.131 178.228 176.094 0.005 0.000 1.063 66 V CA 1.709 64.036 62.300 0.045 0.000 1.055 66 V CB -0.204 31.617 31.823 -0.003 0.000 0.657 66 V HN 0.533 nan 8.190 nan 0.000 0.455 67 L N 0.013 121.264 121.223 0.046 0.000 2.591 67 L HA 0.266 4.609 4.340 0.004 0.000 0.228 67 L C 1.394 178.277 176.870 0.021 0.000 1.133 67 L CA 0.189 55.038 54.840 0.015 0.000 0.880 67 L CB -0.254 41.816 42.059 0.017 0.000 1.033 67 L HN 0.233 nan 8.230 nan 0.000 0.450 68 A N -0.052 122.819 122.820 0.085 0.000 2.990 68 A HA 0.225 4.548 4.320 0.004 0.000 0.282 68 A C 1.332 178.945 177.584 0.049 0.000 1.688 68 A CA 0.201 52.282 52.037 0.075 0.000 1.391 68 A CB -0.368 18.717 19.000 0.143 0.000 1.112 68 A HN 0.346 nan 8.150 nan 0.000 0.588 69 S N 0.687 116.372 115.700 -0.024 0.000 2.556 69 S HA 0.154 4.627 4.470 0.004 0.000 0.216 69 S C 0.248 174.810 174.600 -0.064 0.000 0.970 69 S CA 0.067 58.230 58.200 -0.062 0.000 0.912 69 S CB -0.661 62.492 63.200 -0.078 0.000 0.790 69 S HN 0.931 nan 8.310 nan 0.000 0.504 70 N N -1.373 117.296 118.700 -0.052 0.000 2.823 70 N HA 0.620 5.362 4.740 0.004 0.000 0.251 70 N C 0.132 175.615 175.510 -0.045 0.000 1.392 70 N CA -0.414 52.600 53.050 -0.059 0.000 0.864 70 N CB 0.687 39.136 38.487 -0.064 0.000 1.481 70 N HN -0.067 nan 8.380 nan 0.000 0.508 71 A N -0.133 122.675 122.820 -0.020 0.000 2.123 71 A HA 0.075 4.397 4.320 0.004 0.000 0.214 71 A C 0.637 178.208 177.584 -0.021 0.000 1.152 71 A CA 0.422 52.467 52.037 0.014 0.000 0.728 71 A CB -0.660 18.399 19.000 0.099 0.000 0.814 71 A HN 0.668 nan 8.150 nan 0.000 0.464 72 N N 0.943 119.613 118.700 -0.050 0.000 2.437 72 N HA 0.288 5.031 4.740 0.004 0.000 0.243 72 N C 0.458 175.831 175.510 -0.228 0.000 1.041 72 N CA -0.139 52.847 53.050 -0.106 0.000 0.940 72 N CB 0.655 39.101 38.487 -0.068 0.000 1.133 72 N HN 0.289 nan 8.380 nan 0.000 0.506 73 L N 2.390 123.375 121.223 -0.396 0.000 2.313 73 L HA 0.081 4.423 4.340 0.004 0.000 0.214 73 L C 2.211 178.531 176.870 -0.916 0.000 1.119 73 L CA 0.661 55.102 54.840 -0.664 0.000 0.809 73 L CB -0.161 41.380 42.059 -0.862 0.000 0.933 73 L HN 0.578 nan 8.230 nan 0.000 0.449 74 G N -0.421 107.903 108.800 -0.793 0.000 2.446 74 G HA2 -0.233 3.729 3.960 0.004 0.000 0.217 74 G HA3 -0.233 3.729 3.960 0.004 0.000 0.217 74 G C 1.564 176.332 174.900 -0.220 0.000 1.168 74 G CA 0.907 45.752 45.100 -0.424 0.000 0.771 74 G HN 0.194 nan 8.290 nan 0.000 0.551 75 V N 0.604 120.411 119.914 -0.178 0.000 2.951 75 V HA -0.020 4.103 4.120 0.004 0.000 0.255 75 V C 2.419 178.451 176.094 -0.104 0.000 1.088 75 V CA 1.663 63.902 62.300 -0.102 0.000 1.109 75 V CB -0.194 31.588 31.823 -0.068 0.000 0.724 75 V HN 0.442 nan 8.190 nan 0.000 0.471 76 N N 0.520 119.128 118.700 -0.153 0.000 2.120 76 N HA -0.122 4.620 4.740 0.004 0.000 0.188 76 N C 1.798 177.251 175.510 -0.095 0.000 1.024 76 N CA 1.591 54.566 53.050 -0.125 0.000 0.852 76 N CB -0.250 38.143 38.487 -0.158 0.000 1.003 76 N HN 0.455 nan 8.380 nan 0.000 0.424 77 A N -0.679 122.070 122.820 -0.118 0.000 1.969 77 A HA -0.096 4.226 4.320 0.004 0.000 0.218 77 A C 2.075 179.652 177.584 -0.012 0.000 1.169 77 A CA 1.919 53.929 52.037 -0.044 0.000 0.635 77 A CB -1.023 17.971 19.000 -0.011 0.000 0.810 77 A HN 0.544 nan 8.150 nan 0.000 0.445 78 T N -1.044 113.495 114.554 -0.026 0.000 3.129 78 T HA 0.116 4.469 4.350 0.004 0.000 0.251 78 T C 0.831 175.525 174.700 -0.009 0.000 1.117 78 T CA 0.253 62.349 62.100 -0.007 0.000 1.034 78 T CB -0.505 68.359 68.868 -0.008 0.000 0.968 78 T HN 0.718 nan 8.240 nan 0.000 0.526 79 Q N 1.617 121.406 119.800 -0.019 0.000 2.373 79 Q HA 0.336 4.679 4.340 0.004 0.000 0.255 79 Q C -2.714 173.282 176.000 -0.007 0.000 0.980 79 Q CA -2.053 53.740 55.803 -0.017 0.000 0.882 79 Q CB -0.036 28.686 28.738 -0.027 0.000 1.249 79 Q HN 0.080 nan 8.270 nan 0.000 0.438 80 P HA -0.033 nan 4.420 nan 0.000 0.266 80 P C -0.164 177.136 177.300 0.001 0.000 1.193 80 P CA -0.108 62.992 63.100 -0.000 0.000 0.770 80 P CB 0.530 32.228 31.700 -0.004 0.000 0.836 81 N N 2.220 120.925 118.700 0.009 0.000 2.043 81 N HA -0.156 4.586 4.740 0.004 0.000 0.193 81 N C 1.542 177.055 175.510 0.005 0.000 1.037 81 N CA 1.020 54.078 53.050 0.013 0.000 0.851 81 N CB -0.853 37.647 38.487 0.022 0.000 1.027 81 N HN 0.464 nan 8.380 nan 0.000 0.422 82 I N 0.589 121.160 120.570 0.002 0.000 2.286 82 I HA -0.160 4.012 4.170 0.004 0.000 0.248 82 I C 1.678 177.789 176.117 -0.011 0.000 1.115 82 I CA 1.187 62.484 61.300 -0.004 0.000 1.392 82 I CB -0.576 37.422 38.000 -0.004 0.000 1.065 82 I HN 0.096 nan 8.210 nan 0.000 0.418 83 L N 1.190 122.405 121.223 -0.013 0.000 2.093 83 L HA -0.127 4.216 4.340 0.004 0.000 0.208 83 L C 2.973 179.828 176.870 -0.025 0.000 1.085 83 L CA 1.255 56.083 54.840 -0.020 0.000 0.755 83 L CB -0.667 41.381 42.059 -0.019 0.000 0.904 83 L HN 0.314 nan 8.230 nan 0.000 0.435 84 A N 0.041 122.849 122.820 -0.020 0.000 1.883 84 A HA -0.256 4.067 4.320 0.004 0.000 0.217 84 A C 2.484 180.052 177.584 -0.027 0.000 1.186 84 A CA 2.004 54.027 52.037 -0.023 0.000 0.624 84 A CB -0.748 18.244 19.000 -0.012 0.000 0.822 84 A HN 0.440 nan 8.150 nan 0.000 0.444 85 A N -0.261 122.546 122.820 -0.020 0.000 1.873 85 A HA -0.018 4.304 4.320 0.004 0.000 0.215 85 A C 2.014 179.577 177.584 -0.035 0.000 1.186 85 A CA 1.563 53.585 52.037 -0.024 0.000 0.616 85 A CB -0.489 18.501 19.000 -0.016 0.000 0.823 85 A HN 0.394 nan 8.150 nan 0.000 0.442 86 I N 0.079 120.629 120.570 -0.033 0.000 2.127 86 I HA -0.222 3.951 4.170 0.004 0.000 0.241 86 I C 2.477 178.565 176.117 -0.049 0.000 1.075 86 I CA 1.529 62.807 61.300 -0.038 0.000 1.334 86 I CB -1.326 36.655 38.000 -0.033 0.000 1.040 86 I HN 0.349 nan 8.210 nan 0.000 0.405 87 R N 0.595 121.063 120.500 -0.053 0.000 2.189 87 R HA -0.101 4.241 4.340 0.004 0.000 0.223 87 R C 2.328 178.574 176.300 -0.090 0.000 1.092 87 R CA 1.408 57.466 56.100 -0.069 0.000 0.989 87 R CB -0.282 29.978 30.300 -0.066 0.000 0.876 87 R HN 0.520 nan 8.270 nan 0.000 0.457 88 S N 0.598 116.249 115.700 -0.082 0.000 2.453 88 S HA -0.019 4.453 4.470 0.004 0.000 0.231 88 S C 2.029 176.568 174.600 -0.102 0.000 1.005 88 S CA 0.419 58.559 58.200 -0.100 0.000 0.949 88 S CB -0.212 62.944 63.200 -0.072 0.000 0.774 88 S HN 0.212 nan 8.310 nan 0.000 0.510 89 L N 1.406 122.582 121.223 -0.080 0.000 2.012 89 L HA -0.015 4.328 4.340 0.004 0.000 0.210 89 L C -0.452 176.373 176.870 -0.074 0.000 1.073 89 L CA 1.465 56.263 54.840 -0.070 0.000 0.748 89 L CB -2.101 39.924 42.059 -0.056 0.000 0.891 89 L HN 0.281 nan 8.230 nan 0.000 0.431 90 P HA -0.190 nan 4.420 nan 0.000 0.215 90 P C 1.871 179.110 177.300 -0.103 0.000 1.157 90 P CA 1.583 64.634 63.100 -0.083 0.000 0.874 90 P CB 0.036 31.682 31.700 -0.091 0.000 0.790 91 I N -1.548 118.927 120.570 -0.159 0.000 2.226 91 I HA -0.232 3.941 4.170 0.004 0.000 0.245 91 I C 2.388 178.422 176.117 -0.138 0.000 1.100 91 I CA 1.297 62.452 61.300 -0.241 0.000 1.374 91 I CB -0.589 37.145 38.000 -0.442 0.000 1.057 91 I HN -0.112 nan 8.210 nan 0.000 0.413 92 L N 0.074 121.236 121.223 -0.101 0.000 2.046 92 L HA -0.260 4.083 4.340 0.004 0.000 0.208 92 L C 2.197 179.053 176.870 -0.023 0.000 1.077 92 L CA 1.426 56.234 54.840 -0.053 0.000 0.747 92 L CB -0.526 41.500 42.059 -0.054 0.000 0.896 92 L HN 0.256 nan 8.230 nan 0.000 0.432 93 D N -0.286 120.095 120.400 -0.032 0.000 2.117 93 D HA -0.159 4.483 4.640 0.004 0.000 0.197 93 D C 2.153 178.458 176.300 0.010 0.000 0.987 93 D CA 1.368 55.360 54.000 -0.014 0.000 0.829 93 D CB 0.113 40.898 40.800 -0.026 0.000 0.961 93 D HN 0.269 nan 8.370 nan 0.000 0.460 94 A N 0.029 122.851 122.820 0.004 0.000 1.902 94 A HA -0.162 4.161 4.320 0.004 0.000 0.217 94 A C 2.324 179.966 177.584 0.096 0.000 1.181 94 A CA 1.435 53.492 52.037 0.033 0.000 0.623 94 A CB -0.579 18.427 19.000 0.009 0.000 0.818 94 A HN 0.249 nan 8.150 nan 0.000 0.443 95 M N -1.312 118.347 119.600 0.098 0.000 2.108 95 M HA -0.160 4.323 4.480 0.004 0.000 0.261 95 M C 2.213 178.672 176.300 0.265 0.000 1.066 95 M CA 1.586 56.991 55.300 0.175 0.000 1.107 95 M CB -0.423 32.230 32.600 0.088 0.000 1.356 95 M HN 0.480 nan 8.290 nan 0.000 0.406 96 L N 0.406 121.719 121.223 0.149 0.000 2.046 96 L HA -0.143 4.199 4.340 0.004 0.000 0.208 96 L C 2.602 179.528 176.870 0.093 0.000 1.077 96 L CA 2.300 57.209 54.840 0.114 0.000 0.747 96 L CB -0.822 41.266 42.059 0.050 0.000 0.896 96 L HN 0.375 nan 8.230 nan 0.000 0.432 97 S N -1.182 114.568 115.700 0.082 0.000 2.515 97 S HA -0.102 4.370 4.470 0.004 0.000 0.231 97 S C 1.833 176.486 174.600 0.089 0.000 0.987 97 S CA 0.376 58.610 58.200 0.056 0.000 0.936 97 S CB -0.571 62.651 63.200 0.036 0.000 0.766 97 S HN 0.551 nan 8.310 nan 0.000 0.528 98 R N 0.596 121.206 120.500 0.183 0.000 2.391 98 R HA 0.259 4.602 4.340 0.004 0.000 0.249 98 R C 1.379 177.792 176.300 0.188 0.000 0.957 98 R CA 0.388 56.643 56.100 0.259 0.000 1.093 98 R CB -0.236 30.333 30.300 0.449 0.000 1.156 98 R HN 0.604 nan 8.270 nan 0.000 0.526 99 G N 0.685 109.499 108.800 0.023 0.000 2.159 99 G HA2 -0.285 3.677 3.960 0.004 0.000 0.256 99 G HA3 -0.285 3.677 3.960 0.004 0.000 0.256 99 G C -0.072 174.571 174.900 -0.429 0.000 0.977 99 G CA -0.353 44.564 45.100 -0.305 0.000 0.652 99 G HN 0.245 nan 8.290 nan 0.000 0.531 100 F N 1.982 121.979 119.950 0.077 0.000 2.438 100 F HA 0.456 4.985 4.527 0.004 0.000 0.360 100 F C 1.826 177.635 175.800 0.016 0.000 1.118 100 F CA 0.585 58.639 58.000 0.091 0.000 1.164 100 F CB 1.382 40.462 39.000 0.133 0.000 1.131 100 F HN 0.098 nan 8.300 nan 0.000 0.527 101 T N -2.363 112.259 114.554 0.113 0.000 3.022 101 T HA 0.223 4.576 4.350 0.004 0.000 0.250 101 T C 0.454 175.214 174.700 0.099 0.000 1.060 101 T CA -0.082 62.053 62.100 0.058 0.000 1.013 101 T CB 0.130 68.988 68.868 -0.017 0.000 0.982 101 T HN 0.315 nan 8.240 nan 0.000 0.508 102 S N 0.939 116.747 115.700 0.180 0.000 2.572 102 S HA 0.656 5.128 4.470 0.004 0.000 0.274 102 S C -0.928 173.826 174.600 0.258 0.000 1.150 102 S CA -0.850 57.479 58.200 0.214 0.000 0.944 102 S CB 2.215 65.603 63.200 0.314 0.000 1.071 102 S HN 0.564 nan 8.310 nan 0.000 0.479 103 V N 1.069 121.112 119.914 0.215 0.000 2.735 103 V HA 0.696 4.818 4.120 0.004 0.000 0.310 103 V C -0.457 175.784 176.094 0.244 0.000 1.061 103 V CA -1.158 61.252 62.300 0.183 0.000 0.913 103 V CB 1.755 33.623 31.823 0.075 0.000 1.005 103 V HN 0.843 nan 8.190 nan 0.000 0.428 104 R N 2.003 122.612 120.500 0.182 0.000 2.198 104 R HA 0.378 4.720 4.340 0.004 0.000 0.339 104 R C -0.657 175.635 176.300 -0.013 0.000 1.020 104 R CA -0.304 55.880 56.100 0.140 0.000 0.864 104 R CB 0.624 30.964 30.300 0.066 0.000 1.105 104 R HN 1.028 nan 8.270 nan 0.000 0.463 105 D N 2.578 122.962 120.400 -0.027 0.000 2.312 105 D HA 0.143 4.785 4.640 0.004 0.000 0.252 105 D C 0.169 176.338 176.300 -0.217 0.000 1.150 105 D CA -0.040 53.881 54.000 -0.131 0.000 0.870 105 D CB 1.284 42.046 40.800 -0.063 0.000 1.153 105 D HN 0.592 nan 8.370 nan 0.000 0.457 106 A N 3.666 126.202 122.820 -0.472 0.000 2.476 106 A HA 0.575 4.898 4.320 0.004 0.000 0.263 106 A C 0.704 178.220 177.584 -0.115 0.000 1.342 106 A CA 0.247 51.983 52.037 -0.501 0.000 0.926 106 A CB -0.712 17.561 19.000 -1.211 0.000 1.019 106 A HN 0.822 nan 8.150 nan 0.000 0.515 107 G N -2.567 106.221 108.800 -0.020 0.000 3.239 107 G HA2 0.494 4.456 3.960 0.004 0.000 0.666 107 G HA3 0.494 4.456 3.960 0.004 0.000 0.666 107 G C 0.490 175.484 174.900 0.158 0.000 1.313 107 G CA 0.182 45.341 45.100 0.099 0.000 1.001 107 G HN 1.949 nan 8.290 nan 0.000 0.573 108 G N 0.512 109.349 108.800 0.061 0.000 3.038 108 G HA2 0.448 4.410 3.960 0.004 0.000 0.197 108 G HA3 0.448 4.410 3.960 0.004 0.000 0.197 108 G C 1.079 175.990 174.900 0.019 0.000 1.925 108 G CA 1.328 46.459 45.100 0.051 0.000 1.405 108 G HN 2.552 nan 8.290 nan 0.000 0.524 109 A N 1.512 124.342 122.820 0.016 0.000 2.407 109 A HA 0.569 4.891 4.320 0.004 0.000 0.248 109 A C 0.361 177.949 177.584 0.007 0.000 1.082 109 A CA 1.205 53.242 52.037 0.001 0.000 0.785 109 A CB 0.111 19.102 19.000 -0.014 0.000 1.020 109 A HN 1.081 nan 8.150 nan 0.000 0.489 110 D N -0.137 120.276 120.400 0.021 0.000 2.689 110 D HA 0.174 4.816 4.640 0.004 0.000 0.255 110 D C 0.685 177.049 176.300 0.106 0.000 1.113 110 D CA -0.766 53.276 54.000 0.070 0.000 1.115 110 D CB -0.269 40.587 40.800 0.094 0.000 1.334 110 D HN 0.539 nan 8.370 nan 0.000 0.621 111 W N 0.787 122.065 121.300 -0.036 0.000 2.338 111 W HA -0.193 4.469 4.660 0.003 0.000 0.304 111 W C 2.005 178.502 176.519 -0.037 0.000 1.212 111 W CA 2.866 60.189 57.345 -0.038 0.000 1.264 111 W CB -0.380 29.064 29.460 -0.027 0.000 1.142 111 W HN 0.340 nan 8.180 nan 0.000 0.512 112 S N 0.926 116.672 115.700 0.077 0.000 2.365 112 S HA -0.291 4.181 4.470 0.004 0.000 0.225 112 S C 1.944 176.405 174.600 -0.232 0.000 1.039 112 S CA 1.579 59.686 58.200 -0.154 0.000 1.033 112 S CB -1.059 62.168 63.200 0.046 0.000 0.887 112 S HN 0.395 nan 8.310 nan 0.000 0.447 113 L N 0.995 122.139 121.223 -0.132 0.000 2.046 113 L HA -0.079 4.263 4.340 0.004 0.000 0.208 113 L C 2.681 179.437 176.870 -0.190 0.000 1.077 113 L CA 1.635 56.396 54.840 -0.131 0.000 0.747 113 L CB -0.387 41.626 42.059 -0.077 0.000 0.896 113 L HN 0.440 nan 8.230 nan 0.000 0.432 114 M N -1.028 118.435 119.600 -0.227 0.000 2.149 114 M HA -0.269 4.214 4.480 0.004 0.000 0.261 114 M C 2.186 178.273 176.300 -0.355 0.000 1.064 114 M CA 1.666 56.801 55.300 -0.274 0.000 1.102 114 M CB -0.112 32.331 32.600 -0.262 0.000 1.369 114 M HN 0.243 nan 8.290 nan 0.000 0.408 115 Q N 0.369 119.854 119.800 -0.526 0.000 2.079 115 Q HA -0.079 4.263 4.340 0.004 0.000 0.200 115 Q C 2.247 178.056 176.000 -0.318 0.000 0.974 115 Q CA 1.910 57.392 55.803 -0.535 0.000 0.840 115 Q CB -0.739 27.495 28.738 -0.840 0.000 0.898 115 Q HN 0.729 nan 8.270 nan 0.000 0.430 116 A N 0.809 123.472 122.820 -0.261 0.000 1.908 116 A HA -0.165 4.157 4.320 0.004 0.000 0.218 116 A C 2.287 179.786 177.584 -0.141 0.000 1.181 116 A CA 2.162 54.097 52.037 -0.170 0.000 0.627 116 A CB -0.872 18.047 19.000 -0.134 0.000 0.818 116 A HN 0.316 nan 8.150 nan 0.000 0.445 117 V N -2.468 117.357 119.914 -0.149 0.000 2.453 117 V HA -0.114 4.009 4.120 0.004 0.000 0.247 117 V C 1.794 177.815 176.094 -0.122 0.000 1.048 117 V CA 2.240 64.467 62.300 -0.121 0.000 1.049 117 V CB -0.808 30.946 31.823 -0.115 0.000 0.672 117 V HN 0.572 nan 8.190 nan 0.000 0.457 118 E N 1.101 121.208 120.200 -0.154 0.000 2.285 118 E HA -0.079 4.274 4.350 0.004 0.000 0.194 118 E C 2.073 178.607 176.600 -0.110 0.000 0.997 118 E CA 1.431 57.750 56.400 -0.136 0.000 0.845 118 E CB -0.071 29.532 29.700 -0.163 0.000 0.782 118 E HN 0.898 nan 8.360 nan 0.000 0.491 119 T N -3.439 111.044 114.554 -0.118 0.000 3.086 119 T HA 0.250 4.602 4.350 0.004 0.000 0.250 119 T C 1.457 176.113 174.700 -0.074 0.000 1.074 119 T CA 0.311 62.356 62.100 -0.091 0.000 0.988 119 T CB 0.642 69.451 68.868 -0.098 0.000 0.988 119 T HN 0.189 nan 8.240 nan 0.000 0.530 120 G N 1.219 109.972 108.800 -0.077 0.000 2.166 120 G HA2 -0.262 3.701 3.960 0.004 0.000 0.260 120 G HA3 -0.262 3.701 3.960 0.004 0.000 0.260 120 G C 0.560 175.426 174.900 -0.057 0.000 0.986 120 G CA 0.418 45.482 45.100 -0.061 0.000 0.683 120 G HN 0.523 nan 8.290 nan 0.000 0.527 121 L N -0.757 120.426 121.223 -0.067 0.000 2.353 121 L HA 0.398 4.741 4.340 0.004 0.000 0.220 121 L C 1.194 178.030 176.870 -0.056 0.000 1.133 121 L CA 1.363 56.168 54.840 -0.059 0.000 0.798 121 L CB 0.256 42.273 42.059 -0.068 0.000 0.922 121 L HN 0.256 nan 8.230 nan 0.000 0.445 122 V N -2.040 117.836 119.914 -0.063 0.000 3.012 122 V HA 0.308 4.431 4.120 0.004 0.000 0.307 122 V C -0.545 175.516 176.094 -0.054 0.000 1.166 122 V CA -0.822 61.444 62.300 -0.057 0.000 0.974 122 V CB 2.271 34.055 31.823 -0.064 0.000 1.040 122 V HN -0.076 nan 8.190 nan 0.000 0.428 123 S N 2.137 117.810 115.700 -0.044 0.000 2.452 123 S HA 0.840 5.312 4.470 0.004 0.000 0.284 123 S C 0.130 174.709 174.600 -0.034 0.000 1.171 123 S CA 0.543 58.721 58.200 -0.037 0.000 1.064 123 S CB 0.464 63.648 63.200 -0.028 0.000 0.967 123 S HN 1.431 nan 8.310 nan 0.000 0.484 124 G N 4.732 113.513 108.800 -0.032 0.000 2.340 124 G HA2 0.422 4.385 3.960 0.004 0.000 0.299 124 G HA3 0.422 4.385 3.960 0.004 0.000 0.299 124 G C -3.537 171.355 174.900 -0.014 0.000 1.291 124 G CA -0.811 44.279 45.100 -0.018 0.000 0.841 124 G HN 0.487 nan 8.290 nan 0.000 0.500 125 P HA 0.284 nan 4.420 nan 0.000 0.271 125 P C -0.201 177.075 177.300 -0.041 0.000 1.233 125 P CA -0.419 62.692 63.100 0.019 0.000 0.789 125 P CB 0.460 32.201 31.700 0.069 0.000 0.951 126 R N 1.802 122.265 120.500 -0.061 0.000 2.491 126 R HA 0.239 4.581 4.340 0.004 0.000 0.283 126 R C -0.497 175.660 176.300 -0.239 0.000 1.072 126 R CA -0.096 55.898 56.100 -0.176 0.000 1.048 126 R CB -0.363 29.813 30.300 -0.207 0.000 0.983 126 R HN 0.401 nan 8.270 nan 0.000 0.450 127 I N 5.193 125.575 120.570 -0.313 0.000 2.336 127 I HA 0.206 4.379 4.170 0.004 0.000 0.292 127 I C -0.642 175.212 176.117 -0.439 0.000 0.991 127 I CA -0.586 60.563 61.300 -0.252 0.000 1.227 127 I CB 1.184 39.097 38.000 -0.145 0.000 1.366 127 I HN 0.518 nan 8.210 nan 0.000 0.466 128 F N 7.529 127.471 119.950 -0.013 0.000 2.309 128 F HA 0.340 4.869 4.527 0.003 0.000 0.366 128 F C -2.060 173.720 175.800 -0.033 0.000 1.104 128 F CA -2.274 55.719 58.000 -0.012 0.000 1.179 128 F CB 0.493 39.494 39.000 0.001 0.000 1.437 128 F HN 0.220 nan 8.300 nan 0.000 0.528 129 P HA 0.158 nan 4.420 nan 0.000 0.284 129 P C 0.048 177.357 177.300 0.015 0.000 1.253 129 P CA -0.281 62.837 63.100 0.030 0.000 0.800 129 P CB 1.800 33.519 31.700 0.032 0.000 0.961 130 S N 1.175 116.863 115.700 -0.020 0.000 2.548 130 S HA 0.237 4.709 4.470 0.004 0.000 0.215 130 S C 1.395 175.969 174.600 -0.042 0.000 0.976 130 S CA 0.523 58.695 58.200 -0.046 0.000 0.908 130 S CB -0.581 62.583 63.200 -0.060 0.000 0.781 130 S HN 0.866 nan 8.310 nan 0.000 0.519 131 G N 2.304 111.088 108.800 -0.028 0.000 2.687 131 G HA2 -0.288 3.674 3.960 0.004 0.000 0.303 131 G HA3 -0.288 3.674 3.960 0.004 0.000 0.303 131 G C -0.316 174.539 174.900 -0.075 0.000 1.209 131 G CA 0.162 45.234 45.100 -0.048 0.000 0.968 131 G HN 0.446 nan 8.290 nan 0.000 0.549 132 K N 1.103 121.433 120.400 -0.116 0.000 2.259 132 K HA 0.689 5.012 4.320 0.004 0.000 0.252 132 K C 0.201 176.767 176.600 -0.058 0.000 0.936 132 K CA -0.170 56.047 56.287 -0.116 0.000 0.810 132 K CB 2.236 34.584 32.500 -0.253 0.000 1.143 132 K HN 0.958 nan 8.250 nan 0.000 0.427 133 A N 3.532 126.346 122.820 -0.009 0.000 2.511 133 A HA 0.166 4.488 4.320 0.004 0.000 0.242 133 A C 0.105 177.705 177.584 0.027 0.000 1.069 133 A CA -0.155 51.899 52.037 0.028 0.000 0.763 133 A CB -0.177 18.858 19.000 0.058 0.000 1.001 133 A HN 0.645 nan 8.150 nan 0.000 0.498 134 L N 2.438 123.706 121.223 0.075 0.000 2.331 134 L HA 0.460 4.803 4.340 0.004 0.000 0.278 134 L C 0.691 177.690 176.870 0.215 0.000 1.106 134 L CA -0.055 54.872 54.840 0.146 0.000 0.824 134 L CB 1.114 43.265 42.059 0.153 0.000 1.142 134 L HN 0.707 nan 8.230 nan 0.000 0.443 135 S N 2.442 118.225 115.700 0.138 0.000 2.538 135 S HA 0.391 4.863 4.470 0.004 0.000 0.288 135 S C -0.604 173.916 174.600 -0.133 0.000 1.108 135 S CA -0.896 57.258 58.200 -0.076 0.000 0.971 135 S CB 1.737 64.847 63.200 -0.150 0.000 1.041 135 S HN 0.654 nan 8.310 nan 0.000 0.483 136 Q N 2.341 121.778 119.800 -0.605 0.000 2.492 136 Q HA 0.359 4.701 4.340 0.004 0.000 0.238 136 Q C -0.350 175.542 176.000 -0.180 0.000 1.045 136 Q CA -0.324 55.255 55.803 -0.373 0.000 0.934 136 Q CB -0.225 28.162 28.738 -0.584 0.000 1.276 136 Q HN 0.513 nan 8.270 nan 0.000 0.521 137 T N 1.266 115.772 114.554 -0.082 0.000 2.908 137 T HA 0.292 4.645 4.350 0.004 0.000 0.301 137 T C 1.111 175.762 174.700 -0.082 0.000 1.019 137 T CA 0.878 62.941 62.100 -0.062 0.000 1.152 137 T CB 0.036 68.891 68.868 -0.021 0.000 0.966 137 T HN 0.991 nan 8.240 nan 0.000 0.540 138 G N 2.517 111.266 108.800 -0.085 0.000 2.168 138 G HA2 -0.191 3.771 3.960 0.004 0.000 0.263 138 G HA3 -0.191 3.771 3.960 0.004 0.000 0.263 138 G C 0.558 175.394 174.900 -0.107 0.000 0.977 138 G CA 0.069 45.121 45.100 -0.080 0.000 0.659 138 G HN 1.134 nan 8.290 nan 0.000 0.533 139 G N -1.762 106.945 108.800 -0.156 0.000 2.563 139 G HA2 0.423 4.385 3.960 0.004 0.000 0.283 139 G HA3 0.423 4.385 3.960 0.004 0.000 0.283 139 G C 0.634 175.431 174.900 -0.173 0.000 1.309 139 G CA 0.520 45.519 45.100 -0.169 0.000 1.022 139 G HN 0.492 nan 8.290 nan 0.000 0.501 140 H N -0.822 118.094 119.070 -0.257 0.000 2.518 140 H HA -0.029 4.530 4.556 0.004 0.000 0.289 140 H C 2.317 177.367 175.328 -0.462 0.000 1.051 140 H CA 1.797 57.667 56.048 -0.296 0.000 1.280 140 H CB -0.096 29.467 29.762 -0.332 0.000 1.380 140 H HN 0.409 nan 8.280 nan 0.000 0.566 141 G N -1.248 107.236 108.800 -0.526 0.000 2.986 141 G HA2 -0.059 3.904 3.960 0.004 0.000 0.213 141 G HA3 -0.059 3.904 3.960 0.004 0.000 0.213 141 G C -0.028 174.333 174.900 -0.898 0.000 1.156 141 G CA -0.045 44.625 45.100 -0.717 0.000 0.763 141 G HN 0.272 nan 8.290 nan 0.000 0.547 142 D N 0.366 120.374 120.400 -0.654 0.000 2.339 142 D HA 0.245 4.888 4.640 0.004 0.000 0.241 142 D C -0.224 175.771 176.300 -0.508 0.000 1.183 142 D CA -0.679 53.055 54.000 -0.443 0.000 0.859 142 D CB 0.558 41.226 40.800 -0.221 0.000 1.067 142 D HN 0.052 nan 8.370 nan 0.000 0.484 143 F N 2.228 122.153 119.950 -0.041 0.000 2.645 143 F HA 0.247 4.776 4.527 0.004 0.000 0.300 143 F C 1.270 177.060 175.800 -0.016 0.000 1.115 143 F CA -0.404 57.574 58.000 -0.035 0.000 1.355 143 F CB 0.011 38.985 39.000 -0.044 0.000 1.026 143 F HN -0.034 nan 8.300 nan 0.000 0.536 144 R N 2.400 122.952 120.500 0.086 0.000 2.438 144 R HA 0.225 4.567 4.340 0.004 0.000 0.287 144 R C -2.144 174.188 176.300 0.053 0.000 1.077 144 R CA -1.545 54.594 56.100 0.065 0.000 1.034 144 R CB 0.096 30.415 30.300 0.032 0.000 0.993 144 R HN -0.033 nan 8.270 nan 0.000 0.459 145 P HA 0.058 nan 4.420 nan 0.000 0.274 145 P C -0.485 176.832 177.300 0.027 0.000 1.237 145 P CA -0.412 62.713 63.100 0.041 0.000 0.793 145 P CB 0.738 32.460 31.700 0.037 0.000 0.977 152 P HA -0.270 nan 4.420 nan 0.000 0.247 152 P C 0.747 178.052 177.300 0.009 0.000 0.823 152 P CA 1.910 65.015 63.100 0.008 0.000 1.117 152 P CB -0.420 31.284 31.700 0.006 0.000 0.754 153 C N -4.907 114.398 119.300 0.008 0.000 3.382 153 C HA 0.594 5.056 4.460 0.004 0.000 0.082 153 C C 1.907 176.905 174.990 0.013 0.000 2.409 153 C CA 0.698 59.721 59.018 0.009 0.000 1.501 153 C CB 0.606 28.346 27.740 0.000 0.000 2.575 153 C HN 0.590 nan 8.230 nan 0.000 0.439 154 S N -3.369 112.332 115.700 0.001 0.000 5.659 154 S HA 0.141 4.614 4.470 0.004 0.000 0.135 154 S C 0.605 175.183 174.600 -0.038 0.000 1.128 154 S CA 0.849 59.050 58.200 0.001 0.000 1.392 154 S CB -0.448 62.770 63.200 0.031 0.000 1.926 154 S HN 0.767 nan 8.310 nan 0.000 0.537 155 C N 0.535 119.787 119.300 -0.080 0.000 5.885 155 C HA -0.190 4.273 4.460 0.004 0.000 0.328 155 C C 0.741 175.578 174.990 -0.254 0.000 2.433 155 C CA 0.180 59.120 59.018 -0.130 0.000 2.197 155 C CB -1.625 26.066 27.740 -0.083 0.000 3.236 155 C HN 0.796 nan 8.230 nan 0.000 0.260 156 C N 0.335 119.509 119.300 -0.210 0.000 2.634 156 C HA 0.680 5.142 4.460 0.004 0.000 0.313 156 C C -0.445 174.470 174.990 -0.125 0.000 1.198 156 C CA -0.418 58.454 59.018 -0.244 0.000 1.605 156 C CB 0.656 28.334 27.740 -0.104 0.000 2.196 156 C HN 0.510 nan 8.230 nan 0.000 0.486 157 F N 4.226 124.187 119.950 0.017 0.000 2.413 157 F HA 0.325 4.854 4.527 0.004 0.000 0.359 157 F C 1.125 176.937 175.800 0.021 0.000 1.122 157 F CA -0.585 57.429 58.000 0.022 0.000 1.160 157 F CB 0.524 39.538 39.000 0.023 0.000 1.146 157 F HN 0.364 nan 8.300 nan 0.000 0.514 158 R N 1.650 122.289 120.500 0.232 0.000 2.442 158 R HA 0.063 4.405 4.340 0.004 0.000 0.291 158 R C 1.067 177.430 176.300 0.105 0.000 1.069 158 R CA 0.018 56.195 56.100 0.128 0.000 1.022 158 R CB 0.199 30.556 30.300 0.096 0.000 0.976 158 R HN 0.651 nan 8.270 nan 0.000 0.443 159 T N -1.190 113.408 114.554 0.074 0.000 3.163 159 T HA -0.025 4.328 4.350 0.004 0.000 0.260 159 T C 1.569 176.285 174.700 0.027 0.000 1.156 159 T CA 0.748 62.878 62.100 0.049 0.000 1.072 159 T CB 0.141 69.033 68.868 0.041 0.000 0.937 159 T HN 0.685 nan 8.240 nan 0.000 0.528 160 G N 0.549 109.364 108.800 0.025 0.000 3.042 160 G HA2 0.506 4.468 3.960 0.004 0.000 0.212 160 G HA3 0.506 4.468 3.960 0.004 0.000 0.212 160 G C 0.483 175.384 174.900 0.003 0.000 1.166 160 G CA -0.040 45.062 45.100 0.003 0.000 0.767 160 G HN 0.752 nan 8.290 nan 0.000 0.546 161 A N 0.625 123.463 122.820 0.029 0.000 2.328 161 A HA 0.602 4.924 4.320 0.004 0.000 0.284 161 A C 1.132 178.738 177.584 0.037 0.000 1.160 161 A CA -0.512 51.554 52.037 0.048 0.000 0.818 161 A CB 0.634 19.687 19.000 0.088 0.000 1.087 161 A HN 0.020 nan 8.150 nan 0.000 0.504 162 I N 1.218 121.828 120.570 0.066 0.000 2.333 162 I HA 0.024 4.196 4.170 0.004 0.000 0.246 162 I C 1.484 177.631 176.117 0.050 0.000 1.106 162 I CA 1.649 62.988 61.300 0.066 0.000 1.411 162 I CB -1.405 36.618 38.000 0.039 0.000 1.082 162 I HN 0.666 nan 8.210 nan 0.000 0.420 163 A N 1.214 124.070 122.820 0.059 0.000 2.435 163 A HA 0.786 5.108 4.320 0.004 0.000 0.296 163 A C -0.102 177.471 177.584 -0.018 0.000 1.147 163 A CA -0.648 51.389 52.037 -0.001 0.000 0.775 163 A CB 1.552 20.524 19.000 -0.047 0.000 1.340 163 A HN 0.277 nan 8.150 nan 0.000 0.427 164 R N -0.279 120.204 120.500 -0.028 0.000 2.807 164 R HA 0.720 5.063 4.340 0.004 0.000 0.276 164 R C -1.725 174.609 176.300 0.055 0.000 0.979 164 R CA -0.737 55.385 56.100 0.038 0.000 0.928 164 R CB 1.474 31.784 30.300 0.017 0.000 1.191 164 R HN 0.272 nan 8.270 nan 0.000 0.471 165 V N 2.722 122.684 119.914 0.080 0.000 2.385 165 V HA 0.318 4.441 4.120 0.004 0.000 0.269 165 V C 0.006 176.162 176.094 0.103 0.000 1.043 165 V CA -0.444 61.891 62.300 0.059 0.000 0.906 165 V CB 0.930 32.767 31.823 0.024 0.000 0.995 165 V HN 0.618 nan 8.190 nan 0.000 0.467 166 V N 1.695 121.692 119.914 0.137 0.000 2.709 166 V HA 0.788 4.910 4.120 0.004 0.000 0.308 166 V C -1.107 175.110 176.094 0.205 0.000 1.062 166 V CA -0.863 61.524 62.300 0.145 0.000 0.901 166 V CB 2.148 34.044 31.823 0.123 0.000 1.003 166 V HN 0.720 nan 8.190 nan 0.000 0.425 167 D N 1.393 121.879 120.400 0.144 0.000 2.490 167 D HA 0.848 5.491 4.640 0.004 0.000 0.232 167 D C 0.263 176.617 176.300 0.091 0.000 1.053 167 D CA 0.737 54.835 54.000 0.163 0.000 0.914 167 D CB 1.793 42.662 40.800 0.115 0.000 1.431 167 D HN 1.450 nan 8.370 nan 0.000 0.483 168 G N -1.070 107.778 108.800 0.080 0.000 2.690 168 G HA2 -0.155 3.807 3.960 0.004 0.000 0.686 168 G HA3 -0.155 3.807 3.960 0.004 0.000 0.686 168 G C 0.559 175.456 174.900 -0.005 0.000 1.277 168 G CA -0.427 44.694 45.100 0.035 0.000 0.799 168 G HN 0.416 nan 8.290 nan 0.000 0.613 169 V N 0.929 120.837 119.914 -0.011 0.000 2.307 169 V HA -0.093 4.029 4.120 0.004 0.000 0.245 169 V C 2.674 178.751 176.094 -0.029 0.000 1.045 169 V CA 2.712 64.993 62.300 -0.031 0.000 1.024 169 V CB -0.456 31.355 31.823 -0.019 0.000 0.651 169 V HN 0.767 nan 8.190 nan 0.000 0.449 170 E N 0.654 120.846 120.200 -0.013 0.000 2.072 170 E HA -0.116 4.237 4.350 0.004 0.000 0.191 170 E C 2.360 178.956 176.600 -0.007 0.000 0.985 170 E CA 1.317 57.711 56.400 -0.010 0.000 0.801 170 E CB -0.838 28.861 29.700 -0.003 0.000 0.750 170 E HN 0.583 nan 8.360 nan 0.000 0.452 171 G N 2.077 110.878 108.800 0.001 0.000 2.529 171 G HA2 -0.301 3.661 3.960 0.004 0.000 0.219 171 G HA3 -0.301 3.661 3.960 0.004 0.000 0.219 171 G C 1.852 176.752 174.900 -0.000 0.000 1.177 171 G CA 2.339 47.447 45.100 0.012 0.000 0.773 171 G HN 0.323 nan 8.290 nan 0.000 0.573 172 V N -1.715 118.177 119.914 -0.037 0.000 2.453 172 V HA 0.082 4.205 4.120 0.004 0.000 0.247 172 V C 2.520 178.577 176.094 -0.062 0.000 1.048 172 V CA 1.863 64.116 62.300 -0.079 0.000 1.049 172 V CB -0.599 31.098 31.823 -0.210 0.000 0.672 172 V HN 0.281 nan 8.190 nan 0.000 0.457 173 R N -0.330 120.140 120.500 -0.050 0.000 2.096 173 R HA -0.154 4.188 4.340 0.004 0.000 0.240 173 R C 2.330 178.617 176.300 -0.021 0.000 1.139 173 R CA 2.233 58.312 56.100 -0.036 0.000 0.952 173 R CB -0.606 29.678 30.300 -0.027 0.000 0.854 173 R HN 0.556 nan 8.270 nan 0.000 0.436 174 L N 0.526 121.743 121.223 -0.010 0.000 1.994 174 L HA -0.095 4.248 4.340 0.004 0.000 0.208 174 L C 2.300 179.177 176.870 0.011 0.000 1.071 174 L CA 2.105 56.947 54.840 0.003 0.000 0.745 174 L CB -0.835 41.231 42.059 0.011 0.000 0.892 174 L HN 0.165 nan 8.230 nan 0.000 0.431 175 A N -0.992 121.839 122.820 0.018 0.000 1.915 175 A HA -0.250 4.073 4.320 0.004 0.000 0.220 175 A C 2.295 179.880 177.584 0.003 0.000 1.198 175 A CA 2.598 54.653 52.037 0.030 0.000 0.647 175 A CB -1.318 17.699 19.000 0.029 0.000 0.825 175 A HN 0.352 nan 8.150 nan 0.000 0.456 176 V N -0.193 119.710 119.914 -0.018 0.000 2.307 176 V HA -0.249 3.874 4.120 0.004 0.000 0.245 176 V C 2.607 178.686 176.094 -0.025 0.000 1.045 176 V CA 2.179 64.461 62.300 -0.030 0.000 1.024 176 V CB -0.811 30.987 31.823 -0.041 0.000 0.651 176 V HN 0.561 nan 8.190 nan 0.000 0.449 177 R N -0.110 120.378 120.500 -0.019 0.000 2.105 177 R HA -0.205 4.138 4.340 0.004 0.000 0.239 177 R C 2.246 178.536 176.300 -0.016 0.000 1.135 177 R CA 1.719 57.807 56.100 -0.018 0.000 0.967 177 R CB -0.326 29.965 30.300 -0.014 0.000 0.861 177 R HN 0.620 nan 8.270 nan 0.000 0.442 178 E N 0.407 120.607 120.200 -0.001 0.000 2.031 178 E HA -0.168 4.185 4.350 0.004 0.000 0.193 178 E C 2.008 178.607 176.600 -0.002 0.000 0.994 178 E CA 0.949 57.357 56.400 0.014 0.000 0.800 178 E CB 0.111 29.846 29.700 0.058 0.000 0.752 178 E HN 0.251 nan 8.360 nan 0.000 0.447 179 E N 0.473 120.665 120.200 -0.014 0.000 2.106 179 E HA -0.158 4.195 4.350 0.004 0.000 0.192 179 E C 2.153 178.730 176.600 -0.039 0.000 0.984 179 E CA 0.734 57.114 56.400 -0.034 0.000 0.806 179 E CB -0.164 29.506 29.700 -0.050 0.000 0.750 179 E HN 0.314 nan 8.360 nan 0.000 0.458 180 I N 1.242 121.788 120.570 -0.040 0.000 2.252 180 I HA -0.252 3.920 4.170 0.004 0.000 0.245 180 I C 2.750 178.829 176.117 -0.064 0.000 1.102 180 I CA 0.981 62.254 61.300 -0.045 0.000 1.385 180 I CB -0.140 37.836 38.000 -0.040 0.000 1.064 180 I HN 0.055 nan 8.210 nan 0.000 0.414 181 Q N 1.347 121.108 119.800 -0.065 0.000 2.084 181 Q HA -0.246 4.096 4.340 0.004 0.000 0.202 181 Q C 2.097 178.008 176.000 -0.148 0.000 0.978 181 Q CA 1.702 57.449 55.803 -0.093 0.000 0.844 181 Q CB -0.047 28.650 28.738 -0.068 0.000 0.898 181 Q HN 0.469 nan 8.270 nan 0.000 0.426 182 K N -1.197 119.137 120.400 -0.109 0.000 2.280 182 K HA -0.085 4.237 4.320 0.004 0.000 0.202 182 K C 0.871 177.368 176.600 -0.172 0.000 1.047 182 K CA 0.789 57.000 56.287 -0.127 0.000 0.942 182 K CB 0.017 32.498 32.500 -0.033 0.000 0.739 182 K HN 0.455 nan 8.250 nan 0.000 0.457 183 G N 0.488 109.217 108.800 -0.118 0.000 2.186 183 G HA2 -0.121 3.841 3.960 0.004 0.000 0.130 183 G HA3 -0.121 3.841 3.960 0.004 0.000 0.130 183 G C -0.034 174.909 174.900 0.072 0.000 1.031 183 G CA -0.230 44.823 45.100 -0.077 0.000 0.697 183 G HN 0.405 nan 8.290 nan 0.000 0.494 184 A N -0.152 122.683 122.820 0.026 0.000 2.406 184 A HA 0.717 5.040 4.320 0.004 0.000 0.243 184 A C 1.665 179.266 177.584 0.028 0.000 1.082 184 A CA 1.360 53.412 52.037 0.026 0.000 0.786 184 A CB 0.348 19.335 19.000 -0.022 0.000 1.029 184 A HN 1.532 nan 8.150 nan 0.000 0.495 185 T N -1.784 112.793 114.554 0.039 0.000 3.040 185 T HA 0.210 4.562 4.350 0.004 0.000 0.252 185 T C 0.594 175.237 174.700 -0.095 0.000 1.064 185 T CA 0.780 62.908 62.100 0.048 0.000 1.110 185 T CB -0.042 68.947 68.868 0.202 0.000 0.921 185 T HN 0.917 nan 8.240 nan 0.000 0.480 186 Q N 0.277 119.969 119.800 -0.179 0.000 2.693 186 Q HA 0.518 4.861 4.340 0.004 0.000 0.306 186 Q C -1.936 173.911 176.000 -0.256 0.000 0.969 186 Q CA -1.134 54.424 55.803 -0.408 0.000 0.757 186 Q CB 1.193 29.405 28.738 -0.877 0.000 1.494 186 Q HN 0.180 nan 8.270 nan 0.000 0.459 187 I N 1.355 121.763 120.570 -0.271 0.000 2.436 187 I HA 0.428 4.601 4.170 0.004 0.000 0.289 187 I C -0.384 175.683 176.117 -0.083 0.000 1.010 187 I CA -0.551 60.668 61.300 -0.134 0.000 1.098 187 I CB 1.463 39.402 38.000 -0.101 0.000 1.266 187 I HN 0.726 nan 8.210 nan 0.000 0.434 188 K N 7.948 128.329 120.400 -0.032 0.000 2.182 188 K HA 0.793 5.115 4.320 0.004 0.000 0.262 188 K C -0.938 175.708 176.600 0.076 0.000 0.957 188 K CA -0.452 55.852 56.287 0.029 0.000 0.842 188 K CB 1.625 34.140 32.500 0.025 0.000 1.099 188 K HN 0.645 nan 8.250 nan 0.000 0.438 189 I N -0.269 120.379 120.570 0.130 0.000 2.934 189 I HA 0.521 4.694 4.170 0.004 0.000 0.306 189 I C -0.932 175.318 176.117 0.222 0.000 1.110 189 I CA -1.200 60.218 61.300 0.197 0.000 1.019 189 I CB 2.140 40.277 38.000 0.229 0.000 1.227 189 I HN 0.371 nan 8.210 nan 0.000 0.434 190 M N 3.769 123.492 119.600 0.204 0.000 2.063 190 M HA 0.404 4.886 4.480 0.004 0.000 0.348 190 M C 0.463 176.845 176.300 0.137 0.000 1.180 190 M CA -0.351 55.036 55.300 0.146 0.000 1.059 190 M CB 0.660 33.269 32.600 0.015 0.000 1.544 190 M HN 0.925 nan 8.290 nan 0.000 0.447 191 A N 2.619 125.553 122.820 0.190 0.000 2.303 191 A HA 0.361 4.683 4.320 0.004 0.000 0.217 191 A C 0.765 178.402 177.584 0.088 0.000 1.205 191 A CA 0.494 52.619 52.037 0.146 0.000 0.875 191 A CB 0.271 19.351 19.000 0.134 0.000 0.910 191 A HN 0.795 nan 8.150 nan 0.000 0.501 192 S N -2.457 113.307 115.700 0.108 0.000 2.643 192 S HA 0.621 5.093 4.470 0.004 0.000 0.270 192 S C 0.323 174.977 174.600 0.090 0.000 1.166 192 S CA -0.229 58.012 58.200 0.068 0.000 0.815 192 S CB 0.395 63.615 63.200 0.034 0.000 1.139 192 S HN 1.033 nan 8.310 nan 0.000 0.472 193 G N -0.657 108.186 108.800 0.073 0.000 2.720 193 G HA2 0.483 4.445 3.960 0.004 0.000 0.237 193 G HA3 0.483 4.445 3.960 0.004 0.000 0.237 193 G C 0.394 175.368 174.900 0.123 0.000 1.239 193 G CA 0.103 45.249 45.100 0.077 0.000 0.847 193 G HN 1.301 nan 8.290 nan 0.000 0.593 194 G N -1.972 106.845 108.800 0.030 0.000 2.947 194 G HA2 0.464 4.426 3.960 0.004 0.000 0.293 194 G HA3 0.464 4.426 3.960 0.004 0.000 0.293 194 G C 0.249 175.255 174.900 0.176 0.000 1.243 194 G CA 0.387 45.462 45.100 -0.042 0.000 0.802 194 G HN 0.720 nan 8.290 nan 0.000 0.560 195 V N 0.333 120.429 119.914 0.304 0.000 2.690 195 V HA 0.256 4.378 4.120 0.004 0.000 0.240 195 V C 2.705 178.970 176.094 0.284 0.000 1.078 195 V CA 1.632 64.086 62.300 0.256 0.000 1.102 195 V CB 0.223 32.198 31.823 0.254 0.000 0.800 195 V HN 0.822 nan 8.190 nan 0.000 0.479 196 A N 0.851 123.909 122.820 0.398 0.000 2.259 196 A HA 0.242 4.565 4.320 0.004 0.000 0.208 196 A C 1.106 178.865 177.584 0.292 0.000 1.201 196 A CA 0.638 52.834 52.037 0.264 0.000 0.824 196 A CB -0.441 18.674 19.000 0.190 0.000 0.838 196 A HN 0.582 nan 8.150 nan 0.000 0.485 197 S N -1.051 114.820 115.700 0.284 0.000 2.578 197 S HA 0.576 5.048 4.470 0.004 0.000 0.301 197 S C -1.887 172.809 174.600 0.161 0.000 1.091 197 S CA -1.328 56.998 58.200 0.210 0.000 1.032 197 S CB 1.888 65.090 63.200 0.004 0.000 1.064 197 S HN 0.083 nan 8.310 nan 0.000 0.508 198 P HA -0.036 nan 4.420 nan 0.000 0.216 198 P C 1.283 178.619 177.300 0.060 0.000 1.153 198 P CA 1.597 64.754 63.100 0.094 0.000 0.844 198 P CB -0.331 31.423 31.700 0.091 0.000 0.787 199 T N -3.820 110.757 114.554 0.038 0.000 3.014 199 T HA 0.043 4.396 4.350 0.004 0.000 0.250 199 T C 0.495 175.207 174.700 0.020 0.000 1.060 199 T CA -0.275 61.838 62.100 0.022 0.000 1.040 199 T CB -0.557 68.314 68.868 0.004 0.000 0.971 199 T HN 0.118 nan 8.240 nan 0.000 0.497 200 D N 3.185 123.604 120.400 0.031 0.000 2.373 200 D HA 0.297 4.939 4.640 0.004 0.000 0.227 200 D C -2.825 173.501 176.300 0.043 0.000 1.091 200 D CA -2.072 51.947 54.000 0.031 0.000 0.840 200 D CB 1.581 42.400 40.800 0.031 0.000 1.060 200 D HN 0.155 nan 8.370 nan 0.000 0.502 201 P HA -0.028 nan 4.420 nan 0.000 0.267 201 P C 1.205 178.523 177.300 0.029 0.000 1.200 201 P CA -0.386 62.727 63.100 0.020 0.000 0.772 201 P CB 1.428 33.133 31.700 0.008 0.000 0.855 202 I N 1.278 121.859 120.570 0.018 0.000 2.546 202 I HA -0.187 3.985 4.170 0.004 0.000 0.255 202 I C 1.777 177.923 176.117 0.049 0.000 1.163 202 I CA 1.416 62.743 61.300 0.046 0.000 1.457 202 I CB -0.276 37.688 38.000 -0.060 0.000 1.092 202 I HN 0.301 nan 8.210 nan 0.000 0.434 203 A N 1.980 124.807 122.820 0.012 0.000 1.940 203 A HA -0.204 4.118 4.320 0.004 0.000 0.219 203 A C 1.139 178.736 177.584 0.022 0.000 1.176 203 A CA 1.470 53.513 52.037 0.010 0.000 0.631 203 A CB -1.156 17.841 19.000 -0.005 0.000 0.814 203 A HN 0.817 nan 8.150 nan 0.000 0.446 204 N N -0.437 118.277 118.700 0.023 0.000 2.493 204 N HA 0.362 5.104 4.740 0.004 0.000 0.275 204 N C -0.088 175.437 175.510 0.025 0.000 1.186 204 N CA 0.104 53.166 53.050 0.020 0.000 0.978 204 N CB 0.661 39.155 38.487 0.012 0.000 1.184 204 N HN 0.223 nan 8.380 nan 0.000 0.487 205 T N -1.974 112.592 114.554 0.021 0.000 2.881 205 T HA 0.304 4.657 4.350 0.004 0.000 0.278 205 T C -0.336 174.370 174.700 0.009 0.000 0.982 205 T CA -0.685 61.430 62.100 0.025 0.000 0.989 205 T CB 1.422 70.309 68.868 0.032 0.000 1.058 205 T HN 0.625 nan 8.240 nan 0.000 0.529 206 Q N 0.073 119.878 119.800 0.009 0.000 2.331 206 Q HA 0.481 4.823 4.340 0.004 0.000 0.272 206 Q C -1.710 174.304 176.000 0.022 0.000 1.062 206 Q CA -0.889 54.877 55.803 -0.061 0.000 0.806 206 Q CB 2.343 30.990 28.738 -0.152 0.000 1.312 206 Q HN 0.844 nan 8.270 nan 0.000 0.431 207 Y N -0.426 119.888 120.300 0.023 0.000 2.572 207 Y HA -0.287 4.266 4.550 0.004 0.000 0.025 207 Y C 0.377 176.287 175.900 0.018 0.000 1.771 207 Y CA -0.036 58.076 58.100 0.019 0.000 1.373 207 Y CB -0.379 38.094 38.460 0.022 0.000 2.022 207 Y HN 0.777 nan 8.280 nan 0.000 0.264 208 S N 2.065 117.887 115.700 0.204 0.000 2.580 208 S HA 0.055 4.528 4.470 0.004 0.000 0.266 208 S C 0.900 175.548 174.600 0.080 0.000 1.354 208 S CA 0.114 58.379 58.200 0.107 0.000 1.008 208 S CB 1.284 64.529 63.200 0.076 0.000 0.898 208 S HN 0.708 nan 8.310 nan 0.000 0.555 209 E N 0.734 120.964 120.200 0.050 0.000 2.106 209 E HA -0.158 4.194 4.350 0.004 0.000 0.192 209 E C 1.373 177.980 176.600 0.011 0.000 0.984 209 E CA 1.314 57.733 56.400 0.031 0.000 0.806 209 E CB -0.226 29.489 29.700 0.025 0.000 0.750 209 E HN 0.674 nan 8.360 nan 0.000 0.458 210 D N 1.100 121.506 120.400 0.010 0.000 2.106 210 D HA -0.188 4.454 4.640 0.004 0.000 0.191 210 D C 1.813 178.094 176.300 -0.031 0.000 0.997 210 D CA 1.212 55.209 54.000 -0.004 0.000 0.834 210 D CB -0.201 40.600 40.800 0.002 0.000 0.956 210 D HN 0.262 nan 8.370 nan 0.000 0.448 211 E N 0.225 120.399 120.200 -0.043 0.000 2.038 211 E HA -0.146 4.207 4.350 0.004 0.000 0.195 211 E C 2.435 178.929 176.600 -0.177 0.000 1.000 211 E CA 0.680 56.999 56.400 -0.135 0.000 0.803 211 E CB -0.106 29.482 29.700 -0.187 0.000 0.750 211 E HN 0.315 nan 8.360 nan 0.000 0.448 212 I N 0.571 121.073 120.570 -0.114 0.000 2.208 212 I HA -0.295 3.877 4.170 0.004 0.000 0.245 212 I C 2.642 178.728 176.117 -0.052 0.000 1.097 212 I CA 1.094 62.347 61.300 -0.078 0.000 1.363 212 I CB -0.339 37.664 38.000 0.005 0.000 1.051 212 I HN 0.059 nan 8.210 nan 0.000 0.413 213 R N 0.784 121.264 120.500 -0.033 0.000 2.080 213 R HA -0.194 4.149 4.340 0.004 0.000 0.236 213 R C 2.506 178.789 176.300 -0.029 0.000 1.137 213 R CA 1.783 57.871 56.100 -0.021 0.000 0.943 213 R CB -0.467 29.826 30.300 -0.011 0.000 0.846 213 R HN 0.403 nan 8.270 nan 0.000 0.431 214 A N 1.104 123.897 122.820 -0.045 0.000 1.883 214 A HA -0.191 4.131 4.320 0.004 0.000 0.217 214 A C 2.151 179.701 177.584 -0.056 0.000 1.186 214 A CA 1.498 53.506 52.037 -0.048 0.000 0.624 214 A CB -0.602 18.364 19.000 -0.058 0.000 0.822 214 A HN 0.259 nan 8.150 nan 0.000 0.444 215 I N -0.537 119.982 120.570 -0.085 0.000 2.163 215 I HA -0.249 3.924 4.170 0.004 0.000 0.243 215 I C 2.372 178.463 176.117 -0.043 0.000 1.085 215 I CA 1.324 62.574 61.300 -0.083 0.000 1.347 215 I CB -0.399 37.527 38.000 -0.124 0.000 1.044 215 I HN 0.170 nan 8.210 nan 0.000 0.408 216 V N 0.802 120.700 119.914 -0.026 0.000 2.295 216 V HA -0.306 3.817 4.120 0.004 0.000 0.246 216 V C 2.102 178.199 176.094 0.005 0.000 1.049 216 V CA 2.107 64.408 62.300 0.002 0.000 1.024 216 V CB -0.681 31.150 31.823 0.013 0.000 0.648 216 V HN 0.403 nan 8.190 nan 0.000 0.447 217 D N -0.355 120.043 120.400 -0.004 0.000 2.104 217 D HA -0.150 4.493 4.640 0.004 0.000 0.194 217 D C 2.286 178.583 176.300 -0.004 0.000 0.994 217 D CA 1.107 55.107 54.000 -0.000 0.000 0.830 217 D CB -0.260 40.537 40.800 -0.005 0.000 0.959 217 D HN 0.371 nan 8.370 nan 0.000 0.452 218 E N 0.689 120.880 120.200 -0.015 0.000 2.077 218 E HA -0.114 4.238 4.350 0.004 0.000 0.193 218 E C 2.098 178.688 176.600 -0.017 0.000 0.989 218 E CA 0.912 57.301 56.400 -0.019 0.000 0.800 218 E CB -0.443 29.240 29.700 -0.028 0.000 0.746 218 E HN 0.233 nan 8.360 nan 0.000 0.452 219 A N 1.474 124.283 122.820 -0.019 0.000 1.865 219 A HA -0.247 4.076 4.320 0.004 0.000 0.217 219 A C 2.108 179.693 177.584 0.001 0.000 1.191 219 A CA 1.892 53.915 52.037 -0.022 0.000 0.623 219 A CB -0.610 18.374 19.000 -0.026 0.000 0.826 219 A HN 0.246 nan 8.150 nan 0.000 0.444 220 E N -0.479 119.732 120.200 0.019 0.000 2.110 220 E HA -0.078 4.275 4.350 0.004 0.000 0.193 220 E C 2.252 178.865 176.600 0.022 0.000 0.988 220 E CA 0.781 57.200 56.400 0.033 0.000 0.804 220 E CB -0.302 29.421 29.700 0.038 0.000 0.745 220 E HN 0.618 nan 8.360 nan 0.000 0.458 221 A N 1.193 124.020 122.820 0.011 0.000 2.032 221 A HA -0.141 4.181 4.320 0.004 0.000 0.221 221 A C 2.117 179.704 177.584 0.005 0.000 1.165 221 A CA 1.697 53.738 52.037 0.006 0.000 0.645 221 A CB -0.328 18.672 19.000 -0.000 0.000 0.807 221 A HN 0.258 nan 8.150 nan 0.000 0.453 222 A N -0.878 121.944 122.820 0.002 0.000 2.460 222 A HA 0.358 4.680 4.320 0.004 0.000 0.258 222 A C 0.439 178.030 177.584 0.011 0.000 1.300 222 A CA 0.095 52.132 52.037 0.000 0.000 0.913 222 A CB -0.333 18.660 19.000 -0.012 0.000 1.031 222 A HN 0.475 nan 8.150 nan 0.000 0.512 223 N N 0.347 119.061 118.700 0.022 0.000 2.725 223 N HA -0.146 4.597 4.740 0.004 0.000 0.251 223 N C 0.098 175.639 175.510 0.053 0.000 1.031 223 N CA 1.661 54.735 53.050 0.039 0.000 0.720 223 N CB -1.617 36.892 38.487 0.037 0.000 0.930 223 N HN 0.698 nan 8.380 nan 0.000 0.543 224 T N -1.837 112.745 114.554 0.046 0.000 2.572 224 T HA 0.719 5.071 4.350 0.004 0.000 0.274 224 T C -1.337 173.425 174.700 0.103 0.000 0.949 224 T CA -0.364 61.772 62.100 0.059 0.000 1.126 224 T CB 1.143 69.969 68.868 -0.070 0.000 1.478 224 T HN 0.231 nan 8.240 nan 0.000 0.492 225 Y N -1.284 119.012 120.300 -0.006 0.000 2.705 225 Y HA 0.849 5.401 4.550 0.003 0.000 0.332 225 Y C -1.440 174.458 175.900 -0.003 0.000 1.157 225 Y CA -1.337 56.761 58.100 -0.003 0.000 1.091 225 Y CB 0.764 39.219 38.460 -0.009 0.000 1.301 225 Y HN 0.350 nan 8.280 nan 0.000 0.488 226 V N 3.791 123.818 119.914 0.188 0.000 2.417 226 V HA 0.395 4.518 4.120 0.004 0.000 0.291 226 V C -0.009 176.226 176.094 0.236 0.000 1.024 226 V CA -0.828 61.532 62.300 0.099 0.000 0.861 226 V CB 1.218 33.082 31.823 0.068 0.000 0.985 226 V HN 0.822 nan 8.190 nan 0.000 0.436 227 M N 3.733 123.425 119.600 0.154 0.000 2.318 227 M HA 0.939 5.422 4.480 0.004 0.000 0.347 227 M C -0.439 175.946 176.300 0.142 0.000 1.175 227 M CA -0.383 55.024 55.300 0.178 0.000 1.075 227 M CB 1.762 34.462 32.600 0.166 0.000 1.614 227 M HN 0.556 nan 8.290 nan 0.000 0.456 228 A N 1.458 124.369 122.820 0.151 0.000 2.398 228 A HA 0.486 4.808 4.320 0.004 0.000 0.301 228 A C -1.538 176.160 177.584 0.190 0.000 1.041 228 A CA -0.670 51.466 52.037 0.164 0.000 0.711 228 A CB 0.716 19.792 19.000 0.127 0.000 1.240 228 A HN 1.013 nan 8.150 nan 0.000 0.420 229 H N 1.918 121.067 119.070 0.132 0.000 2.800 229 H HA 0.615 5.174 4.556 0.004 0.000 0.291 229 H C -0.145 175.155 175.328 -0.046 0.000 1.076 229 H CA 0.705 56.824 56.048 0.118 0.000 1.452 229 H CB 0.589 30.450 29.762 0.166 0.000 1.461 229 H HN 0.894 nan 8.280 nan 0.000 0.488 230 A N 5.263 127.824 122.820 -0.431 0.000 2.429 230 A HA 0.317 4.639 4.320 0.004 0.000 0.289 230 A C -1.333 176.022 177.584 -0.382 0.000 1.043 230 A CA -0.719 51.124 52.037 -0.322 0.000 0.722 230 A CB 0.383 19.339 19.000 -0.074 0.000 1.243 230 A HN 0.714 nan 8.150 nan 0.000 0.415 231 Y N 1.403 121.602 120.300 -0.168 0.000 2.269 231 Y HA 0.135 4.688 4.550 0.004 0.000 0.279 231 Y C 2.230 178.095 175.900 -0.058 0.000 1.118 231 Y CA 1.433 59.458 58.100 -0.125 0.000 1.145 231 Y CB -0.539 37.825 38.460 -0.161 0.000 1.081 231 Y HN 0.719 nan 8.280 nan 0.000 0.501 232 T N -1.278 113.353 114.554 0.129 0.000 2.813 232 T HA 0.252 4.604 4.350 0.004 0.000 0.297 232 T C 1.581 176.309 174.700 0.047 0.000 1.036 232 T CA -0.026 62.111 62.100 0.061 0.000 1.044 232 T CB 1.169 70.058 68.868 0.036 0.000 0.993 232 T HN 0.416 nan 8.240 nan 0.000 0.535 233 G N 0.059 108.876 108.800 0.028 0.000 2.421 233 G HA2 -0.137 3.825 3.960 0.004 0.000 0.217 233 G HA3 -0.137 3.825 3.960 0.004 0.000 0.217 233 G C 1.557 176.473 174.900 0.026 0.000 1.143 233 G CA 0.571 45.687 45.100 0.027 0.000 0.784 233 G HN 0.857 nan 8.290 nan 0.000 0.541 234 R N 0.580 121.093 120.500 0.021 0.000 2.082 234 R HA -0.059 4.283 4.340 0.004 0.000 0.234 234 R C 2.830 179.145 176.300 0.025 0.000 1.136 234 R CA 1.801 57.914 56.100 0.020 0.000 0.935 234 R CB -0.487 29.823 30.300 0.017 0.000 0.842 234 R HN 0.243 nan 8.270 nan 0.000 0.430 235 A N 0.778 123.615 122.820 0.029 0.000 1.940 235 A HA -0.145 4.177 4.320 0.004 0.000 0.219 235 A C 2.210 179.811 177.584 0.029 0.000 1.176 235 A CA 1.579 53.634 52.037 0.031 0.000 0.631 235 A CB -0.521 18.497 19.000 0.029 0.000 0.814 235 A HN 0.425 nan 8.150 nan 0.000 0.446 236 I N -0.440 120.150 120.570 0.032 0.000 2.252 236 I HA -0.254 3.919 4.170 0.004 0.000 0.245 236 I C 2.989 179.120 176.117 0.024 0.000 1.102 236 I CA 0.901 62.223 61.300 0.037 0.000 1.385 236 I CB -0.367 37.672 38.000 0.065 0.000 1.064 236 I HN 0.365 nan 8.210 nan 0.000 0.414 237 A N 2.032 124.865 122.820 0.022 0.000 1.849 237 A HA -0.273 4.049 4.320 0.004 0.000 0.217 237 A C 2.394 179.968 177.584 -0.016 0.000 1.202 237 A CA 2.429 54.470 52.037 0.006 0.000 0.629 237 A CB -0.878 18.132 19.000 0.017 0.000 0.834 237 A HN 0.511 nan 8.150 nan 0.000 0.447 238 R N -0.434 120.067 120.500 0.001 0.000 2.096 238 R HA 0.020 4.363 4.340 0.004 0.000 0.235 238 R C 2.200 178.498 176.300 -0.004 0.000 1.127 238 R CA 1.524 57.625 56.100 0.001 0.000 0.968 238 R CB -0.793 29.519 30.300 0.019 0.000 0.861 238 R HN 0.358 nan 8.270 nan 0.000 0.440 239 A N 1.565 124.390 122.820 0.008 0.000 1.883 239 A HA -0.085 4.237 4.320 0.004 0.000 0.217 239 A C 2.442 180.010 177.584 -0.025 0.000 1.186 239 A CA 1.768 53.813 52.037 0.013 0.000 0.624 239 A CB -0.542 18.479 19.000 0.036 0.000 0.822 239 A HN 0.187 nan 8.150 nan 0.000 0.444 240 V N -0.323 119.553 119.914 -0.064 0.000 2.453 240 V HA -0.187 3.935 4.120 0.004 0.000 0.247 240 V C 2.562 178.474 176.094 -0.303 0.000 1.048 240 V CA 2.015 64.220 62.300 -0.157 0.000 1.049 240 V CB -0.811 30.913 31.823 -0.165 0.000 0.672 240 V HN 0.622 nan 8.190 nan 0.000 0.457 241 R N -0.751 119.609 120.500 -0.233 0.000 2.127 241 R HA -0.189 4.154 4.340 0.004 0.000 0.238 241 R C 2.072 178.316 176.300 -0.093 0.000 1.134 241 R CA 1.934 57.924 56.100 -0.184 0.000 0.975 241 R CB -0.424 29.834 30.300 -0.070 0.000 0.865 241 R HN 0.518 nan 8.270 nan 0.000 0.447 242 C N -1.135 118.128 119.300 -0.061 0.000 2.563 242 C HA 0.289 4.751 4.460 0.004 0.000 0.268 242 C C 1.374 176.357 174.990 -0.012 0.000 1.365 242 C CA 0.698 59.703 59.018 -0.021 0.000 1.754 242 C CB 0.048 27.786 27.740 -0.004 0.000 1.932 242 C HN 0.824 nan 8.230 nan 0.000 0.536 243 G N 0.313 109.097 108.800 -0.028 0.000 2.151 243 G HA2 -0.130 3.833 3.960 0.004 0.000 0.140 243 G HA3 -0.130 3.833 3.960 0.004 0.000 0.140 243 G C 0.108 175.028 174.900 0.034 0.000 1.020 243 G CA 0.162 45.266 45.100 0.006 0.000 0.688 243 G HN 0.888 nan 8.290 nan 0.000 0.500 244 V N -0.949 118.982 119.914 0.029 0.000 2.715 244 V HA 0.693 4.816 4.120 0.004 0.000 0.299 244 V C 1.401 177.548 176.094 0.088 0.000 1.054 244 V CA 0.752 63.096 62.300 0.073 0.000 1.077 244 V CB 1.500 33.367 31.823 0.073 0.000 0.972 244 V HN 0.405 nan 8.190 nan 0.000 0.484 245 R N 2.628 123.211 120.500 0.138 0.000 2.128 245 R HA 0.166 4.508 4.340 0.004 0.000 0.211 245 R C 0.835 177.219 176.300 0.139 0.000 1.067 245 R CA 1.008 57.179 56.100 0.119 0.000 1.010 245 R CB 0.136 30.458 30.300 0.036 0.000 0.922 245 R HN 0.993 nan 8.270 nan 0.000 0.457 246 T N -0.854 113.771 114.554 0.119 0.000 2.841 246 T HA 0.488 4.840 4.350 0.004 0.000 0.283 246 T C -0.259 174.497 174.700 0.093 0.000 1.000 246 T CA -0.967 61.193 62.100 0.100 0.000 0.977 246 T CB 1.656 70.532 68.868 0.014 0.000 0.979 246 T HN -0.116 nan 8.240 nan 0.000 0.446 247 I N 2.823 123.427 120.570 0.055 0.000 2.428 247 I HA 0.438 4.610 4.170 0.004 0.000 0.296 247 I C 0.353 176.466 176.117 -0.007 0.000 0.985 247 I CA -0.741 60.576 61.300 0.029 0.000 1.260 247 I CB 1.591 39.595 38.000 0.006 0.000 1.389 247 I HN 0.744 nan 8.210 nan 0.000 0.484 248 E N 5.604 125.804 120.200 0.000 0.000 2.214 248 E HA 0.364 4.717 4.350 0.004 0.000 0.274 248 E C 0.433 176.917 176.600 -0.193 0.000 0.977 248 E CA -0.471 55.850 56.400 -0.131 0.000 0.827 248 E CB 1.201 30.890 29.700 -0.018 0.000 1.130 248 E HN 0.547 nan 8.360 nan 0.000 0.394 249 H N 1.573 120.570 119.070 -0.120 0.000 1.456 249 H HA -0.317 4.242 4.556 0.004 0.000 0.090 249 H C 0.997 176.342 175.328 0.029 0.000 0.611 249 H CA 1.583 57.608 56.048 -0.039 0.000 1.901 249 H CB -1.381 28.288 29.762 -0.154 0.000 2.256 249 H HN 0.888 nan 8.280 nan 0.000 0.961 250 G N 1.418 110.325 108.800 0.179 0.000 2.137 250 G HA2 -0.315 3.647 3.960 0.004 0.000 0.237 250 G HA3 -0.315 3.647 3.960 0.004 0.000 0.237 250 G C 0.646 175.721 174.900 0.292 0.000 1.002 250 G CA 1.017 46.255 45.100 0.230 0.000 0.702 250 G HN 0.580 nan 8.290 nan 0.000 0.515 251 N N -0.102 118.771 118.700 0.288 0.000 2.205 251 N HA -0.028 4.715 4.740 0.004 0.000 0.186 251 N C 1.659 177.180 175.510 0.018 0.000 1.015 251 N CA 1.329 54.444 53.050 0.109 0.000 0.862 251 N CB -0.136 38.312 38.487 -0.065 0.000 0.986 251 N HN 0.592 nan 8.380 nan 0.000 0.429 252 L N 0.926 122.176 121.223 0.045 0.000 3.073 252 L HA 0.301 4.643 4.340 0.004 0.000 0.242 252 L C -0.358 176.502 176.870 -0.016 0.000 1.317 252 L CA -0.533 54.295 54.840 -0.020 0.000 1.081 252 L CB -0.080 41.958 42.059 -0.034 0.000 1.456 252 L HN -0.120 nan 8.230 nan 0.000 0.525 253 V N -1.914 117.976 119.914 -0.039 0.000 2.999 253 V HA 0.076 4.198 4.120 0.004 0.000 0.307 253 V C 0.213 176.248 176.094 -0.098 0.000 1.084 253 V CA -0.707 61.550 62.300 -0.073 0.000 1.155 253 V CB 0.191 31.883 31.823 -0.218 0.000 0.975 253 V HN 0.435 nan 8.190 nan 0.000 0.490 254 D N 1.956 122.316 120.400 -0.066 0.000 2.440 254 D HA 0.317 4.959 4.640 0.004 0.000 0.258 254 D C 0.929 177.184 176.300 -0.076 0.000 1.092 254 D CA -0.465 53.493 54.000 -0.069 0.000 1.016 254 D CB 0.617 41.394 40.800 -0.038 0.000 1.141 254 D HN 0.619 nan 8.370 nan 0.000 0.552 255 E N 0.035 120.196 120.200 -0.065 0.000 2.285 255 E HA -0.122 4.230 4.350 0.004 0.000 0.194 255 E C 1.754 178.347 176.600 -0.012 0.000 0.997 255 E CA 0.728 57.097 56.400 -0.051 0.000 0.845 255 E CB -0.489 29.181 29.700 -0.050 0.000 0.782 255 E HN 0.475 nan 8.360 nan 0.000 0.491 256 A N 2.310 125.126 122.820 -0.005 0.000 1.865 256 A HA -0.055 4.267 4.320 0.004 0.000 0.217 256 A C 2.566 180.170 177.584 0.034 0.000 1.191 256 A CA 2.488 54.534 52.037 0.014 0.000 0.623 256 A CB -0.877 18.128 19.000 0.010 0.000 0.826 256 A HN 0.395 nan 8.150 nan 0.000 0.444 257 A N -0.264 122.574 122.820 0.030 0.000 1.877 257 A HA 0.166 4.489 4.320 0.004 0.000 0.216 257 A C 2.555 180.191 177.584 0.086 0.000 1.186 257 A CA 2.258 54.326 52.037 0.053 0.000 0.620 257 A CB -1.201 17.827 19.000 0.047 0.000 0.822 257 A HN 1.180 nan 8.150 nan 0.000 0.443 258 A N -0.246 122.619 122.820 0.074 0.000 1.917 258 A HA -0.261 4.061 4.320 0.004 0.000 0.219 258 A C 2.152 179.815 177.584 0.131 0.000 1.182 258 A CA 2.253 54.361 52.037 0.119 0.000 0.633 258 A CB -0.561 18.448 19.000 0.015 0.000 0.819 258 A HN 0.560 nan 8.150 nan 0.000 0.448 259 K N -1.016 119.440 120.400 0.093 0.000 2.009 259 K HA -0.174 4.149 4.320 0.004 0.000 0.210 259 K C 1.944 178.631 176.600 0.146 0.000 1.049 259 K CA 1.720 58.075 56.287 0.113 0.000 0.929 259 K CB -0.334 32.209 32.500 0.072 0.000 0.714 259 K HN 0.362 nan 8.250 nan 0.000 0.440 260 L N 1.105 122.407 121.223 0.131 0.000 2.083 260 L HA -0.147 4.195 4.340 0.004 0.000 0.209 260 L C 2.302 179.312 176.870 0.232 0.000 1.083 260 L CA 1.489 56.437 54.840 0.179 0.000 0.752 260 L CB -0.234 41.912 42.059 0.146 0.000 0.899 260 L HN 0.295 nan 8.230 nan 0.000 0.433 261 M N -1.711 117.989 119.600 0.166 0.000 2.067 261 M HA -0.260 4.222 4.480 0.004 0.000 0.260 261 M C 2.369 178.739 176.300 0.117 0.000 1.069 261 M CA 2.024 57.406 55.300 0.137 0.000 1.117 261 M CB -0.374 32.308 32.600 0.137 0.000 1.334 261 M HN 0.493 nan 8.290 nan 0.000 0.407 262 H N 0.054 119.149 119.070 0.041 0.000 2.319 262 H HA -0.208 4.351 4.556 0.004 0.000 0.297 262 H C 1.763 177.079 175.328 -0.021 0.000 1.097 262 H CA 2.553 58.596 56.048 -0.010 0.000 1.285 262 H CB -0.244 29.517 29.762 -0.000 0.000 1.368 262 H HN 0.443 nan 8.280 nan 0.000 0.495 263 E N -1.120 118.970 120.200 -0.182 0.000 2.070 263 E HA -0.247 4.106 4.350 0.004 0.000 0.197 263 E C 1.918 178.345 176.600 -0.289 0.000 1.004 263 E CA 1.714 57.944 56.400 -0.283 0.000 0.805 263 E CB -0.103 29.511 29.700 -0.144 0.000 0.744 263 E HN 0.694 nan 8.360 nan 0.000 0.451 264 H N -2.056 116.938 119.070 -0.127 0.000 2.502 264 H HA 0.130 4.688 4.556 0.004 0.000 0.283 264 H C 1.086 176.346 175.328 -0.113 0.000 1.015 264 H CA 1.016 57.010 56.048 -0.089 0.000 1.298 264 H CB 0.801 30.540 29.762 -0.039 0.000 1.411 264 H HN 0.337 nan 8.280 nan 0.000 0.556 265 G N -0.614 108.142 108.800 -0.075 0.000 2.131 265 G HA2 -0.164 3.799 3.960 0.004 0.000 0.201 265 G HA3 -0.164 3.799 3.960 0.004 0.000 0.201 265 G C 0.064 174.837 174.900 -0.211 0.000 1.000 265 G CA 0.003 45.001 45.100 -0.170 0.000 0.680 265 G HN 0.623 nan 8.290 nan 0.000 0.514 266 A N 0.162 122.916 122.820 -0.110 0.000 2.260 266 A HA 0.815 5.138 4.320 0.004 0.000 0.308 266 A C 0.332 177.858 177.584 -0.097 0.000 1.254 266 A CA -0.533 51.486 52.037 -0.029 0.000 0.874 266 A CB 0.342 19.367 19.000 0.042 0.000 1.153 266 A HN 0.537 nan 8.150 nan 0.000 0.527 267 F N 1.423 121.331 119.950 -0.070 0.000 2.472 267 F HA 0.419 4.948 4.527 0.003 0.000 0.312 267 F C 0.637 176.349 175.800 -0.147 0.000 1.256 267 F CA -0.031 57.910 58.000 -0.099 0.000 1.275 267 F CB 0.618 39.550 39.000 -0.114 0.000 1.228 267 F HN 0.301 nan 8.300 nan 0.000 0.567 268 V N 0.573 120.479 119.914 -0.014 0.000 2.789 268 V HA 0.465 4.587 4.120 0.004 0.000 0.311 268 V C -0.839 175.179 176.094 -0.127 0.000 1.073 268 V CA -0.912 61.269 62.300 -0.199 0.000 0.921 268 V CB 1.836 33.260 31.823 -0.665 0.000 1.009 268 V HN 0.445 nan 8.190 nan 0.000 0.426 269 V N 4.779 124.617 119.914 -0.126 0.000 2.289 269 V HA 0.357 4.479 4.120 0.004 0.000 0.272 269 V C -2.498 173.485 176.094 -0.185 0.000 1.026 269 V CA -1.680 60.546 62.300 -0.123 0.000 0.807 269 V CB 1.302 33.087 31.823 -0.063 0.000 1.044 269 V HN 0.731 nan 8.190 nan 0.000 0.443 270 P HA 0.275 nan 4.420 nan 0.000 0.272 270 P C 0.233 177.448 177.300 -0.142 0.000 1.223 270 P CA 0.034 63.085 63.100 -0.081 0.000 0.784 270 P CB 0.541 32.230 31.700 -0.018 0.000 0.923 271 T N -1.466 113.075 114.554 -0.021 0.000 3.585 271 T HA 0.320 4.672 4.350 0.004 0.000 0.252 271 T C 0.860 175.600 174.700 0.067 0.000 1.382 271 T CA -0.442 61.601 62.100 -0.095 0.000 1.584 271 T CB -1.108 67.636 68.868 -0.208 0.000 0.892 271 T HN 0.064 nan 8.240 nan 0.000 0.671 272 L N 0.337 121.607 121.223 0.078 0.000 2.093 272 L HA 0.013 4.356 4.340 0.004 0.000 0.208 272 L C 2.754 179.705 176.870 0.135 0.000 1.085 272 L CA 0.639 55.611 54.840 0.220 0.000 0.755 272 L CB -0.587 41.526 42.059 0.089 0.000 0.904 272 L HN 0.429 nan 8.230 nan 0.000 0.435 273 V N -0.382 119.519 119.914 -0.021 0.000 2.380 273 V HA -0.356 3.767 4.120 0.004 0.000 0.251 273 V C 2.604 178.669 176.094 -0.049 0.000 1.063 273 V CA 2.635 64.919 62.300 -0.027 0.000 1.055 273 V CB -0.200 31.607 31.823 -0.027 0.000 0.657 273 V HN 0.551 nan 8.190 nan 0.000 0.455 274 T N -1.400 113.053 114.554 -0.169 0.000 2.915 274 T HA -0.154 4.199 4.350 0.004 0.000 0.269 274 T C 1.489 176.047 174.700 -0.238 0.000 1.071 274 T CA 1.901 63.855 62.100 -0.243 0.000 1.132 274 T CB -0.266 68.382 68.868 -0.368 0.000 0.878 274 T HN 0.727 nan 8.240 nan 0.000 0.479 275 Y N 0.977 121.292 120.300 0.025 0.000 2.365 275 Y HA 0.140 4.692 4.550 0.004 0.000 0.293 275 Y C 2.367 178.250 175.900 -0.030 0.000 1.119 275 Y CA 0.355 58.458 58.100 0.006 0.000 1.203 275 Y CB -0.264 38.193 38.460 -0.005 0.000 1.026 275 Y HN 0.198 nan 8.280 nan 0.000 0.549 276 D N 0.118 120.567 120.400 0.082 0.000 2.117 276 D HA -0.130 4.512 4.640 0.004 0.000 0.198 276 D C 2.282 178.522 176.300 -0.099 0.000 0.982 276 D CA 1.405 55.391 54.000 -0.025 0.000 0.828 276 D CB -0.465 40.302 40.800 -0.055 0.000 0.967 276 D HN 0.296 nan 8.370 nan 0.000 0.464 277 A N 0.562 123.336 122.820 -0.076 0.000 1.877 277 A HA -0.101 4.221 4.320 0.004 0.000 0.216 277 A C 2.280 179.893 177.584 0.049 0.000 1.186 277 A CA 0.923 52.951 52.037 -0.015 0.000 0.620 277 A CB -0.787 18.307 19.000 0.157 0.000 0.822 277 A HN 0.221 nan 8.150 nan 0.000 0.443 278 L N -0.868 120.386 121.223 0.052 0.000 2.376 278 L HA -0.075 4.267 4.340 0.004 0.000 0.219 278 L C 2.904 179.779 176.870 0.008 0.000 1.133 278 L CA 0.504 55.382 54.840 0.064 0.000 0.816 278 L CB -0.388 41.718 42.059 0.079 0.000 0.933 278 L HN 0.459 nan 8.230 nan 0.000 0.449 279 A N 0.311 123.112 122.820 -0.032 0.000 1.855 279 A HA -0.200 4.123 4.320 0.004 0.000 0.215 279 A C 2.287 179.776 177.584 -0.158 0.000 1.191 279 A CA 1.602 53.595 52.037 -0.073 0.000 0.613 279 A CB -0.244 18.713 19.000 -0.071 0.000 0.829 279 A HN 0.158 nan 8.150 nan 0.000 0.442 280 K N -0.360 119.860 120.400 -0.299 0.000 1.973 280 K HA -0.033 4.289 4.320 0.004 0.000 0.210 280 K C 0.739 177.028 176.600 -0.518 0.000 1.045 280 K CA 1.511 57.472 56.287 -0.543 0.000 0.937 280 K CB -0.137 31.759 32.500 -1.007 0.000 0.721 280 K HN 0.661 nan 8.250 nan 0.000 0.438 281 H N -1.029 117.983 119.070 -0.097 0.000 2.507 281 H HA 0.314 4.872 4.556 0.004 0.000 0.271 281 H C 0.919 176.177 175.328 -0.117 0.000 1.224 281 H CA 0.118 56.024 56.048 -0.237 0.000 1.000 281 H CB 0.279 29.801 29.762 -0.399 0.000 1.663 281 H HN 0.290 nan 8.280 nan 0.000 0.548 282 G N 0.959 109.757 108.800 -0.003 0.000 2.654 282 G HA2 -0.067 3.896 3.960 0.004 0.000 0.215 282 G HA3 -0.067 3.896 3.960 0.004 0.000 0.215 282 G C 1.638 176.571 174.900 0.055 0.000 1.310 282 G CA 0.683 45.814 45.100 0.051 0.000 0.866 282 G HN 0.437 nan 8.290 nan 0.000 0.558 283 A N 0.129 122.961 122.820 0.020 0.000 2.178 283 A HA 0.048 4.370 4.320 0.004 0.000 0.218 283 A C 2.057 179.651 177.584 0.017 0.000 1.157 283 A CA 1.902 53.953 52.037 0.024 0.000 0.689 283 A CB -0.366 18.639 19.000 0.009 0.000 0.787 283 A HN 0.563 nan 8.150 nan 0.000 0.465 284 E N -1.073 119.109 120.200 -0.030 0.000 2.072 284 E HA -0.122 4.230 4.350 0.004 0.000 0.190 284 E C 0.310 176.903 176.600 -0.011 0.000 0.982 284 E CA 0.858 57.200 56.400 -0.097 0.000 0.803 284 E CB -0.093 29.454 29.700 -0.254 0.000 0.755 284 E HN 0.535 nan 8.360 nan 0.000 0.453 285 F N -0.173 119.826 119.950 0.081 0.000 2.660 285 F HA 0.328 4.858 4.527 0.004 0.000 0.297 285 F C 1.252 177.074 175.800 0.036 0.000 1.132 285 F CA 0.466 58.502 58.000 0.060 0.000 1.372 285 F CB 0.736 39.782 39.000 0.078 0.000 1.003 285 F HN 0.199 nan 8.300 nan 0.000 0.524 286 G N 0.593 109.510 108.800 0.193 0.000 2.131 286 G HA2 -0.304 3.659 3.960 0.004 0.000 0.223 286 G HA3 -0.304 3.659 3.960 0.004 0.000 0.223 286 G C 0.385 175.331 174.900 0.076 0.000 0.990 286 G CA -0.029 45.137 45.100 0.110 0.000 0.671 286 G HN 0.320 nan 8.290 nan 0.000 0.521 287 M N 2.158 121.812 119.600 0.090 0.000 2.146 287 M HA 0.421 4.904 4.480 0.004 0.000 0.357 287 M C -1.727 174.604 176.300 0.053 0.000 1.261 287 M CA -1.872 53.465 55.300 0.063 0.000 1.106 287 M CB 0.722 33.370 32.600 0.079 0.000 1.612 287 M HN -0.025 nan 8.290 nan 0.000 0.470 288 P HA -0.026 nan 4.420 nan 0.000 0.263 288 P C -2.451 174.874 177.300 0.041 0.000 1.168 288 P CA -0.584 62.540 63.100 0.040 0.000 0.759 288 P CB -0.381 31.346 31.700 0.045 0.000 0.782 289 P HA -0.185 nan 4.420 nan 0.000 0.218 289 P C 1.289 178.605 177.300 0.026 0.000 1.148 289 P CA 1.537 64.653 63.100 0.026 0.000 0.822 289 P CB -0.083 31.629 31.700 0.020 0.000 0.784 290 E N -1.190 119.029 120.200 0.031 0.000 2.478 290 E HA 0.047 4.399 4.350 0.004 0.000 0.194 290 E C 1.383 178.008 176.600 0.042 0.000 1.045 290 E CA 0.633 57.052 56.400 0.031 0.000 0.868 290 E CB -0.597 29.121 29.700 0.030 0.000 0.885 290 E HN 0.087 nan 8.360 nan 0.000 0.505 291 S N 0.491 116.223 115.700 0.054 0.000 2.425 291 S HA -0.013 4.460 4.470 0.004 0.000 0.225 291 S C 1.955 176.593 174.600 0.063 0.000 1.024 291 S CA 0.822 59.066 58.200 0.073 0.000 0.951 291 S CB 0.132 63.387 63.200 0.092 0.000 0.796 291 S HN 0.274 nan 8.310 nan 0.000 0.498 292 V N 1.664 121.607 119.914 0.048 0.000 2.809 292 V HA 0.024 4.147 4.120 0.004 0.000 0.256 292 V C 2.480 178.585 176.094 0.019 0.000 1.080 292 V CA 1.157 63.479 62.300 0.037 0.000 1.102 292 V CB -1.404 30.435 31.823 0.027 0.000 0.705 292 V HN 0.443 nan 8.190 nan 0.000 0.475 293 A N 0.363 123.193 122.820 0.015 0.000 1.940 293 A HA -0.211 4.111 4.320 0.004 0.000 0.219 293 A C 2.334 179.913 177.584 -0.007 0.000 1.176 293 A CA 1.975 54.013 52.037 0.002 0.000 0.631 293 A CB -0.418 18.584 19.000 0.004 0.000 0.814 293 A HN 0.529 nan 8.150 nan 0.000 0.446 294 K N -0.892 119.510 120.400 0.003 0.000 2.365 294 K HA 0.116 4.438 4.320 0.004 0.000 0.197 294 K C 1.539 178.116 176.600 -0.038 0.000 1.042 294 K CA 0.598 56.873 56.287 -0.019 0.000 0.987 294 K CB 0.068 32.570 32.500 0.004 0.000 0.779 294 K HN 0.281 nan 8.250 nan 0.000 0.484 295 V N 0.770 120.685 119.914 0.002 0.000 2.871 295 V HA -0.081 4.041 4.120 0.004 0.000 0.256 295 V C 1.964 178.041 176.094 -0.028 0.000 1.082 295 V CA 1.377 63.693 62.300 0.027 0.000 1.105 295 V CB -0.033 31.848 31.823 0.097 0.000 0.713 295 V HN 0.288 nan 8.190 nan 0.000 0.473 296 A N 0.462 123.257 122.820 -0.043 0.000 1.908 296 A HA -0.218 4.104 4.320 0.004 0.000 0.218 296 A C 2.546 180.072 177.584 -0.098 0.000 1.181 296 A CA 2.538 54.540 52.037 -0.059 0.000 0.627 296 A CB -0.793 18.177 19.000 -0.049 0.000 0.818 296 A HN 0.786 nan 8.150 nan 0.000 0.445 297 S N -0.246 115.378 115.700 -0.126 0.000 2.395 297 S HA -0.073 4.399 4.470 0.004 0.000 0.225 297 S C 1.681 176.145 174.600 -0.227 0.000 1.027 297 S CA 1.259 59.367 58.200 -0.155 0.000 0.965 297 S CB -0.965 62.147 63.200 -0.147 0.000 0.812 297 S HN 0.700 nan 8.310 nan 0.000 0.482 298 V N 1.662 121.380 119.914 -0.326 0.000 2.871 298 V HA -0.075 4.047 4.120 0.004 0.000 0.256 298 V C 2.620 178.405 176.094 -0.514 0.000 1.082 298 V CA 1.126 63.121 62.300 -0.507 0.000 1.105 298 V CB -1.590 29.748 31.823 -0.808 0.000 0.713 298 V HN 0.688 nan 8.190 nan 0.000 0.473 299 Q N 0.140 119.711 119.800 -0.382 0.000 2.245 299 Q HA -0.112 4.231 4.340 0.004 0.000 0.201 299 Q C 2.062 177.966 176.000 -0.161 0.000 0.955 299 Q CA 0.931 56.580 55.803 -0.258 0.000 0.870 299 Q CB -0.446 28.234 28.738 -0.097 0.000 0.945 299 Q HN 0.566 nan 8.270 nan 0.000 0.461 300 Q N 1.902 121.613 119.800 -0.148 0.000 1.935 300 Q HA -0.183 4.160 4.340 0.004 0.000 0.212 300 Q C 1.750 177.688 176.000 -0.103 0.000 1.008 300 Q CA 1.780 57.517 55.803 -0.109 0.000 0.868 300 Q CB -0.487 28.188 28.738 -0.105 0.000 0.946 300 Q HN 0.279 nan 8.270 nan 0.000 0.418 301 K N 0.452 120.779 120.400 -0.121 0.000 2.574 301 K HA -0.010 4.312 4.320 0.004 0.000 0.193 301 K C 1.810 178.352 176.600 -0.097 0.000 1.035 301 K CA 0.677 56.901 56.287 -0.106 0.000 0.982 301 K CB -0.579 31.855 32.500 -0.112 0.000 0.795 301 K HN 0.420 nan 8.250 nan 0.000 0.491 302 G N 0.194 108.927 108.800 -0.112 0.000 2.404 302 G HA2 -0.250 3.712 3.960 0.004 0.000 0.215 302 G HA3 -0.250 3.712 3.960 0.004 0.000 0.215 302 G C 1.545 176.431 174.900 -0.024 0.000 1.174 302 G CA 0.378 45.428 45.100 -0.083 0.000 0.780 302 G HN 0.234 nan 8.290 nan 0.000 0.537 303 R N 0.152 120.635 120.500 -0.029 0.000 2.080 303 R HA -0.072 4.271 4.340 0.004 0.000 0.236 303 R C 2.508 178.798 176.300 -0.017 0.000 1.137 303 R CA 1.736 57.829 56.100 -0.012 0.000 0.943 303 R CB -0.379 29.910 30.300 -0.017 0.000 0.846 303 R HN 0.501 nan 8.270 nan 0.000 0.431 304 E N -0.007 120.170 120.200 -0.039 0.000 2.070 304 E HA -0.246 4.106 4.350 0.004 0.000 0.197 304 E C 1.817 178.372 176.600 -0.074 0.000 1.004 304 E CA 1.963 58.331 56.400 -0.054 0.000 0.805 304 E CB -0.038 29.622 29.700 -0.067 0.000 0.744 304 E HN 0.434 nan 8.360 nan 0.000 0.451 305 S N 0.250 115.899 115.700 -0.086 0.000 2.383 305 S HA -0.190 4.283 4.470 0.004 0.000 0.229 305 S C 2.009 176.531 174.600 -0.131 0.000 1.030 305 S CA 0.984 59.077 58.200 -0.178 0.000 1.002 305 S CB -0.446 62.691 63.200 -0.105 0.000 0.829 305 S HN 0.196 nan 8.310 nan 0.000 0.467 306 L N 1.933 123.191 121.223 0.058 0.000 2.081 306 L HA -0.082 4.260 4.340 0.004 0.000 0.212 306 L C 2.743 179.664 176.870 0.084 0.000 1.080 306 L CA 1.877 56.808 54.840 0.152 0.000 0.754 306 L CB -0.951 41.165 42.059 0.095 0.000 0.893 306 L HN 0.413 nan 8.230 nan 0.000 0.433 307 E N -0.728 119.475 120.200 0.004 0.000 2.047 307 E HA -0.197 4.155 4.350 0.004 0.000 0.191 307 E C 2.273 178.845 176.600 -0.047 0.000 0.987 307 E CA 1.298 57.689 56.400 -0.015 0.000 0.799 307 E CB -0.123 29.559 29.700 -0.030 0.000 0.752 307 E HN 0.458 nan 8.360 nan 0.000 0.449 308 I N 0.305 120.797 120.570 -0.130 0.000 2.208 308 I HA -0.297 3.876 4.170 0.004 0.000 0.245 308 I C 2.032 178.057 176.117 -0.153 0.000 1.097 308 I CA 1.253 62.439 61.300 -0.190 0.000 1.363 308 I CB -0.558 37.255 38.000 -0.313 0.000 1.051 308 I HN 0.149 nan 8.210 nan 0.000 0.413 309 Y N 1.279 121.572 120.300 -0.013 0.000 2.163 309 Y HA -0.152 4.401 4.550 0.004 0.000 0.288 309 Y C 2.817 178.702 175.900 -0.024 0.000 1.136 309 Y CA 0.971 59.064 58.100 -0.011 0.000 1.147 309 Y CB -1.147 37.314 38.460 0.001 0.000 0.987 309 Y HN 0.099 nan 8.280 nan 0.000 0.509 310 A N 0.570 123.469 122.820 0.133 0.000 1.892 310 A HA -0.256 4.067 4.320 0.004 0.000 0.218 310 A C 2.160 179.746 177.584 0.003 0.000 1.188 310 A CA 2.127 54.197 52.037 0.055 0.000 0.631 310 A CB -0.819 18.206 19.000 0.041 0.000 0.822 310 A HN 0.453 nan 8.150 nan 0.000 0.447 311 N N 0.334 119.027 118.700 -0.013 0.000 2.084 311 N HA -0.103 4.640 4.740 0.004 0.000 0.190 311 N C 1.741 177.209 175.510 -0.071 0.000 1.030 311 N CA 1.757 54.782 53.050 -0.042 0.000 0.849 311 N CB -0.621 37.839 38.487 -0.046 0.000 1.012 311 N HN 0.472 nan 8.380 nan 0.000 0.423 312 A N -0.228 122.558 122.820 -0.058 0.000 2.167 312 A HA 0.326 4.649 4.320 0.004 0.000 0.214 312 A C 1.284 178.715 177.584 -0.255 0.000 1.151 312 A CA 0.972 52.952 52.037 -0.096 0.000 0.735 312 A CB -0.479 18.521 19.000 0.001 0.000 0.802 312 A HN 0.381 nan 8.150 nan 0.000 0.467 313 G N -1.093 107.604 108.800 -0.172 0.000 2.248 313 G HA2 -0.126 3.837 3.960 0.004 0.000 0.252 313 G HA3 -0.126 3.837 3.960 0.004 0.000 0.252 313 G C -0.138 174.728 174.900 -0.057 0.000 1.085 313 G CA 0.036 45.009 45.100 -0.213 0.000 0.845 313 G HN 0.864 nan 8.290 nan 0.000 0.494 314 V N 0.237 120.173 119.914 0.037 0.000 2.350 314 V HA 0.380 4.502 4.120 0.004 0.000 0.276 314 V C 0.917 177.001 176.094 -0.016 0.000 1.028 314 V CA -0.989 61.340 62.300 0.049 0.000 0.860 314 V CB 1.351 33.245 31.823 0.118 0.000 0.990 314 V HN 0.394 nan 8.190 nan 0.000 0.453 315 K N 4.702 125.051 120.400 -0.086 0.000 2.511 315 K HA 0.170 4.492 4.320 0.004 0.000 0.280 315 K C -0.257 176.358 176.600 0.026 0.000 1.008 315 K CA 0.940 57.205 56.287 -0.037 0.000 1.050 315 K CB 0.159 32.600 32.500 -0.097 0.000 0.889 315 K HN 0.599 nan 8.250 nan 0.000 0.484 316 M N 2.103 121.734 119.600 0.051 0.000 2.243 316 M HA 0.333 4.815 4.480 0.004 0.000 0.324 316 M C 0.198 176.539 176.300 0.068 0.000 1.031 316 M CA -0.569 54.740 55.300 0.015 0.000 0.949 316 M CB 2.192 34.789 32.600 -0.004 0.000 1.615 316 M HN 0.723 nan 8.290 nan 0.000 0.430 317 G N 1.755 110.585 108.800 0.050 0.000 2.441 317 G HA2 0.583 4.546 3.960 0.004 0.000 0.334 317 G HA3 0.583 4.546 3.960 0.004 0.000 0.334 317 G C -1.563 173.374 174.900 0.062 0.000 1.161 317 G CA -0.522 44.622 45.100 0.073 0.000 0.935 317 G HN 0.629 nan 8.290 nan 0.000 0.488 318 F N 1.113 121.043 119.950 -0.033 0.000 2.467 318 F HA 0.541 5.070 4.527 0.004 0.000 0.362 318 F C 0.632 176.394 175.800 -0.064 0.000 1.090 318 F CA 0.293 58.247 58.000 -0.077 0.000 1.202 318 F CB 0.949 39.885 39.000 -0.107 0.000 1.113 318 F HN 0.521 nan 8.300 nan 0.000 0.541 319 G N 3.285 111.810 108.800 -0.460 0.000 2.701 319 G HA2 0.405 4.368 3.960 0.004 0.000 0.300 319 G HA3 0.405 4.368 3.960 0.004 0.000 0.300 319 G C -0.529 174.130 174.900 -0.402 0.000 1.410 319 G CA -0.159 44.795 45.100 -0.244 0.000 1.014 319 G HN 0.747 nan 8.290 nan 0.000 0.509 320 S N 1.208 116.801 115.700 -0.178 0.000 2.433 320 S HA 0.168 4.640 4.470 0.004 0.000 0.216 320 S C 0.831 175.351 174.600 -0.133 0.000 1.031 320 S CA 0.999 59.101 58.200 -0.162 0.000 0.931 320 S CB -0.091 63.064 63.200 -0.075 0.000 0.875 320 S HN 0.779 nan 8.310 nan 0.000 0.553 321 D N 0.599 120.983 120.400 -0.027 0.000 2.746 321 D HA -0.104 4.538 4.640 0.004 0.000 0.236 321 D C -1.047 175.265 176.300 0.020 0.000 1.129 321 D CA 0.259 54.319 54.000 0.101 0.000 0.691 321 D CB -1.911 38.898 40.800 0.014 0.000 1.077 321 D HN 0.483 nan 8.370 nan 0.000 0.432 322 L N 0.307 121.462 121.223 -0.113 0.000 2.312 322 L HA 0.511 4.854 4.340 0.004 0.000 0.281 322 L C 0.656 177.381 176.870 -0.241 0.000 1.070 322 L CA -0.702 54.015 54.840 -0.205 0.000 0.805 322 L CB 1.025 42.904 42.059 -0.300 0.000 1.174 322 L HN 0.023 nan 8.230 nan 0.000 0.434 323 L N 2.196 123.391 121.223 -0.047 0.000 2.330 323 L HA 0.802 5.145 4.340 0.004 0.000 0.271 323 L C 0.893 177.817 176.870 0.091 0.000 1.013 323 L CA -0.553 54.320 54.840 0.055 0.000 0.816 323 L CB 1.448 43.532 42.059 0.041 0.000 1.287 323 L HN 0.812 nan 8.230 nan 0.000 0.435 324 G N 1.380 110.247 108.800 0.112 0.000 2.564 324 G HA2 -0.279 3.684 3.960 0.004 0.000 0.273 324 G HA3 -0.279 3.684 3.960 0.004 0.000 0.273 324 G C 0.723 175.601 174.900 -0.037 0.000 1.242 324 G CA 0.390 45.483 45.100 -0.012 0.000 0.951 324 G HN 0.853 nan 8.290 nan 0.000 0.564 325 E N 0.206 120.232 120.200 -0.290 0.000 2.333 325 E HA -0.092 4.261 4.350 0.004 0.000 0.198 325 E C 2.532 178.994 176.600 -0.229 0.000 1.007 325 E CA 1.496 57.689 56.400 -0.345 0.000 0.845 325 E CB -0.315 28.995 29.700 -0.649 0.000 0.766 325 E HN 0.689 nan 8.360 nan 0.000 0.507 326 M N 0.606 120.159 119.600 -0.079 0.000 2.706 326 M HA -0.100 4.382 4.480 0.004 0.000 0.253 326 M C 1.368 177.685 176.300 0.029 0.000 1.063 326 M CA 0.892 56.272 55.300 0.133 0.000 1.067 326 M CB -0.557 32.244 32.600 0.335 0.000 1.423 326 M HN 0.138 nan 8.290 nan 0.000 0.530 327 H N -0.115 118.911 119.070 -0.072 0.000 2.518 327 H HA -0.037 4.521 4.556 0.004 0.000 0.289 327 H C 2.062 177.337 175.328 -0.088 0.000 1.051 327 H CA 1.409 57.425 56.048 -0.053 0.000 1.280 327 H CB 0.165 29.888 29.762 -0.066 0.000 1.380 327 H HN 0.444 nan 8.280 nan 0.000 0.566 328 A N 0.206 122.941 122.820 -0.141 0.000 1.908 328 A HA -0.170 4.153 4.320 0.004 0.000 0.218 328 A C 1.558 179.055 177.584 -0.146 0.000 1.181 328 A CA 1.198 53.088 52.037 -0.245 0.000 0.627 328 A CB -0.898 17.792 19.000 -0.516 0.000 0.818 328 A HN 0.443 nan 8.150 nan 0.000 0.445 329 F N 0.421 120.431 119.950 0.100 0.000 2.772 329 F HA 0.004 4.534 4.527 0.004 0.000 0.302 329 F C 2.121 177.993 175.800 0.120 0.000 1.225 329 F CA 0.577 58.644 58.000 0.111 0.000 1.429 329 F CB -0.308 38.757 39.000 0.107 0.000 1.104 329 F HN 0.413 nan 8.300 nan 0.000 0.550 330 Q N 0.510 120.451 119.800 0.235 0.000 2.096 330 Q HA -0.194 4.149 4.340 0.004 0.000 0.204 330 Q C 2.008 178.234 176.000 0.377 0.000 0.982 330 Q CA 2.073 58.003 55.803 0.211 0.000 0.850 330 Q CB -0.022 28.776 28.738 0.100 0.000 0.901 330 Q HN 0.348 nan 8.270 nan 0.000 0.422 331 S N -0.244 115.719 115.700 0.438 0.000 2.481 331 S HA -0.014 4.459 4.470 0.004 0.000 0.231 331 S C 1.699 176.588 174.600 0.483 0.000 0.996 331 S CA 0.606 59.138 58.200 0.552 0.000 0.942 331 S CB -0.091 63.386 63.200 0.462 0.000 0.768 331 S HN 0.640 nan 8.310 nan 0.000 0.520 332 G N 1.582 110.593 108.800 0.353 0.000 2.479 332 G HA2 -0.241 3.722 3.960 0.004 0.000 0.220 332 G HA3 -0.241 3.722 3.960 0.004 0.000 0.220 332 G C 1.213 176.235 174.900 0.203 0.000 1.115 332 G CA 1.002 46.259 45.100 0.261 0.000 0.757 332 G HN 0.548 nan 8.290 nan 0.000 0.560 333 E N 0.031 120.336 120.200 0.175 0.000 2.110 333 E HA -0.098 4.255 4.350 0.004 0.000 0.193 333 E C 1.930 178.583 176.600 0.088 0.000 0.988 333 E CA 0.644 57.028 56.400 -0.027 0.000 0.804 333 E CB -0.375 29.049 29.700 -0.461 0.000 0.745 333 E HN 0.378 nan 8.360 nan 0.000 0.458 334 F N 0.801 120.964 119.950 0.355 0.000 2.063 334 F HA -0.202 4.327 4.527 0.004 0.000 0.298 334 F C 2.537 178.406 175.800 0.115 0.000 1.109 334 F CA 1.868 60.017 58.000 0.248 0.000 1.212 334 F CB -0.482 38.587 39.000 0.116 0.000 0.973 334 F HN 0.007 nan 8.300 nan 0.000 0.480 335 R N -0.001 120.681 120.500 0.303 0.000 2.081 335 R HA -0.124 4.218 4.340 0.004 0.000 0.235 335 R C 2.247 178.618 176.300 0.118 0.000 1.131 335 R CA 1.583 57.786 56.100 0.172 0.000 0.960 335 R CB -0.508 29.876 30.300 0.141 0.000 0.856 335 R HN 0.295 nan 8.270 nan 0.000 0.436 336 I N 0.009 120.638 120.570 0.098 0.000 2.361 336 I HA -0.274 3.898 4.170 0.004 0.000 0.251 336 I C 2.300 178.447 176.117 0.051 0.000 1.133 336 I CA 1.352 62.685 61.300 0.055 0.000 1.413 336 I CB -0.195 37.822 38.000 0.029 0.000 1.073 336 I HN 0.123 nan 8.210 nan 0.000 0.424 337 R N 0.544 121.083 120.500 0.064 0.000 2.127 337 R HA 0.055 4.397 4.340 0.004 0.000 0.217 337 R C 2.495 178.848 176.300 0.088 0.000 1.074 337 R CA 1.036 57.176 56.100 0.066 0.000 0.991 337 R CB -0.270 30.067 30.300 0.063 0.000 0.895 337 R HN 0.314 nan 8.270 nan 0.000 0.450 338 A N 1.359 124.247 122.820 0.114 0.000 1.933 338 A HA -0.204 4.119 4.320 0.004 0.000 0.218 338 A C 1.811 179.433 177.584 0.063 0.000 1.175 338 A CA 1.407 53.500 52.037 0.093 0.000 0.628 338 A CB -0.293 18.766 19.000 0.098 0.000 0.814 338 A HN 0.295 nan 8.150 nan 0.000 0.444 339 E N -0.727 119.507 120.200 0.058 0.000 2.153 339 E HA -0.095 4.257 4.350 0.004 0.000 0.194 339 E C 1.813 178.432 176.600 0.032 0.000 0.988 339 E CA 1.276 57.700 56.400 0.040 0.000 0.811 339 E CB -0.058 29.663 29.700 0.036 0.000 0.746 339 E HN 0.458 nan 8.360 nan 0.000 0.466 340 V N 0.095 120.031 119.914 0.036 0.000 2.575 340 V HA -0.041 4.082 4.120 0.004 0.000 0.242 340 V C 1.379 177.493 176.094 0.032 0.000 1.045 340 V CA 0.971 63.289 62.300 0.029 0.000 1.065 340 V CB 0.105 31.945 31.823 0.029 0.000 0.717 340 V HN 0.180 nan 8.190 nan 0.000 0.467 341 L N 0.499 121.748 121.223 0.043 0.000 3.202 341 L HA 0.675 5.017 4.340 0.004 0.000 0.278 341 L C 0.759 177.657 176.870 0.047 0.000 1.268 341 L CA 0.096 54.962 54.840 0.044 0.000 1.034 341 L CB 0.105 42.196 42.059 0.054 0.000 1.407 341 L HN 0.315 nan 8.230 nan 0.000 0.581 342 G N 1.879 110.706 108.800 0.044 0.000 2.797 342 G HA2 -0.288 3.674 3.960 0.004 0.000 0.686 342 G HA3 -0.288 3.674 3.960 0.004 0.000 0.686 342 G C 0.404 175.338 174.900 0.056 0.000 1.452 342 G CA 0.032 45.157 45.100 0.042 0.000 0.986 342 G HN 0.559 nan 8.290 nan 0.000 0.595 343 N N 0.791 119.520 118.700 0.049 0.000 2.461 343 N HA 0.010 4.752 4.740 0.004 0.000 0.188 343 N C 2.022 177.561 175.510 0.050 0.000 1.134 343 N CA 0.744 53.828 53.050 0.056 0.000 0.878 343 N CB 0.127 38.636 38.487 0.036 0.000 0.972 343 N HN 0.571 nan 8.380 nan 0.000 0.456 344 L N 0.141 121.391 121.223 0.044 0.000 2.044 344 L HA -0.058 4.284 4.340 0.004 0.000 0.205 344 L C 1.839 178.750 176.870 0.067 0.000 1.075 344 L CA 1.573 56.440 54.840 0.045 0.000 0.747 344 L CB -0.040 42.039 42.059 0.034 0.000 0.903 344 L HN -0.001 nan 8.230 nan 0.000 0.435 345 E N 0.332 120.574 120.200 0.071 0.000 2.031 345 E HA -0.186 4.167 4.350 0.004 0.000 0.193 345 E C 2.149 178.823 176.600 0.123 0.000 0.994 345 E CA 1.455 57.906 56.400 0.085 0.000 0.800 345 E CB -0.528 29.214 29.700 0.071 0.000 0.752 345 E HN 0.508 nan 8.360 nan 0.000 0.447 346 A N 0.732 123.639 122.820 0.145 0.000 1.903 346 A HA -0.238 4.085 4.320 0.004 0.000 0.219 346 A C 2.368 180.141 177.584 0.316 0.000 1.191 346 A CA 1.904 54.083 52.037 0.235 0.000 0.638 346 A CB -0.936 18.223 19.000 0.265 0.000 0.823 346 A HN 0.276 nan 8.150 nan 0.000 0.451 347 L N -1.614 119.739 121.223 0.216 0.000 2.156 347 L HA -0.118 4.224 4.340 0.004 0.000 0.208 347 L C 2.836 179.812 176.870 0.176 0.000 1.095 347 L CA 1.009 55.961 54.840 0.186 0.000 0.770 347 L CB -0.426 41.665 42.059 0.053 0.000 0.914 347 L HN 0.339 nan 8.230 nan 0.000 0.439 348 R N -0.038 120.547 120.500 0.140 0.000 2.096 348 R HA -0.144 4.198 4.340 0.004 0.000 0.235 348 R C 2.618 179.002 176.300 0.141 0.000 1.127 348 R CA 1.679 57.851 56.100 0.121 0.000 0.968 348 R CB -0.405 29.952 30.300 0.095 0.000 0.861 348 R HN 0.481 nan 8.270 nan 0.000 0.440 349 S N 0.189 115.988 115.700 0.166 0.000 2.419 349 S HA -0.080 4.393 4.470 0.004 0.000 0.233 349 S C 1.687 176.409 174.600 0.204 0.000 1.016 349 S CA 1.159 59.464 58.200 0.174 0.000 0.974 349 S CB 0.115 63.422 63.200 0.178 0.000 0.786 349 S HN 0.321 nan 8.310 nan 0.000 0.492 350 A N 0.568 123.507 122.820 0.198 0.000 2.500 350 A HA 0.518 4.840 4.320 0.004 0.000 0.267 350 A C 1.470 179.161 177.584 0.178 0.000 1.290 350 A CA 0.408 52.528 52.037 0.138 0.000 0.928 350 A CB -0.160 18.748 19.000 -0.153 0.000 1.066 350 A HN 0.702 nan 8.150 nan 0.000 0.516 351 T N -4.801 109.848 114.554 0.158 0.000 3.422 351 T HA 0.019 4.372 4.350 0.004 0.000 0.179 351 T C 1.858 176.616 174.700 0.096 0.000 0.946 351 T CA 1.124 63.306 62.100 0.137 0.000 1.025 351 T CB -0.786 68.165 68.868 0.138 0.000 1.298 351 T HN 0.248 nan 8.240 nan 0.000 0.312 352 T N 1.358 115.965 114.554 0.089 0.000 2.770 352 T HA 0.033 4.385 4.350 0.004 0.000 0.263 352 T C 2.072 176.817 174.700 0.076 0.000 1.039 352 T CA 1.303 63.446 62.100 0.072 0.000 1.142 352 T CB -1.089 67.818 68.868 0.066 0.000 0.868 352 T HN 0.192 nan 8.240 nan 0.000 0.435 353 V N 2.537 122.509 119.914 0.097 0.000 2.307 353 V HA -0.061 4.061 4.120 0.004 0.000 0.245 353 V C 3.284 179.417 176.094 0.065 0.000 1.045 353 V CA 1.539 63.913 62.300 0.123 0.000 1.024 353 V CB -1.576 30.333 31.823 0.142 0.000 0.651 353 V HN 0.666 nan 8.190 nan 0.000 0.449 354 A N 0.500 123.354 122.820 0.056 0.000 1.859 354 A HA -0.249 4.073 4.320 0.004 0.000 0.217 354 A C 2.437 179.983 177.584 -0.063 0.000 1.198 354 A CA 2.676 54.719 52.037 0.010 0.000 0.629 354 A CB -1.099 17.948 19.000 0.079 0.000 0.830 354 A HN 0.632 nan 8.150 nan 0.000 0.446 355 A N -0.961 121.847 122.820 -0.021 0.000 2.019 355 A HA -0.175 4.148 4.320 0.004 0.000 0.219 355 A C 2.007 179.534 177.584 -0.095 0.000 1.164 355 A CA 1.830 53.838 52.037 -0.048 0.000 0.644 355 A CB -0.498 18.504 19.000 0.005 0.000 0.805 355 A HN 0.723 nan 8.150 nan 0.000 0.449 356 E N -0.158 119.994 120.200 -0.079 0.000 2.047 356 E HA -0.134 4.218 4.350 0.004 0.000 0.191 356 E C 1.869 178.270 176.600 -0.331 0.000 0.987 356 E CA 1.011 57.354 56.400 -0.096 0.000 0.799 356 E CB -0.190 29.552 29.700 0.069 0.000 0.752 356 E HN 0.670 nan 8.360 nan 0.000 0.449 357 I N 1.117 121.367 120.570 -0.533 0.000 2.151 357 I HA -0.243 3.929 4.170 0.004 0.000 0.243 357 I C 2.202 177.986 176.117 -0.555 0.000 1.080 357 I CA 1.240 62.039 61.300 -0.835 0.000 1.339 357 I CB -0.230 37.379 38.000 -0.652 0.000 1.039 357 I HN 0.148 nan 8.210 nan 0.000 0.409 358 V N -1.281 118.395 119.914 -0.397 0.000 3.544 358 V HA 0.149 4.271 4.120 0.004 0.000 0.304 358 V C 0.520 176.416 176.094 -0.329 0.000 1.256 358 V CA -0.135 61.899 62.300 -0.445 0.000 1.232 358 V CB -1.537 29.775 31.823 -0.852 0.000 1.065 358 V HN 0.565 nan 8.190 nan 0.000 0.423 359 N N 1.217 119.780 118.700 -0.227 0.000 2.714 359 N HA -0.189 4.554 4.740 0.004 0.000 0.252 359 N C 0.349 175.819 175.510 -0.065 0.000 1.014 359 N CA 1.288 54.272 53.050 -0.111 0.000 0.735 359 N CB -0.579 37.888 38.487 -0.034 0.000 0.924 359 N HN 0.545 nan 8.380 nan 0.000 0.540 360 M N -0.297 119.255 119.600 -0.079 0.000 2.747 360 M HA 0.030 4.512 4.480 0.004 0.000 0.402 360 M C 0.343 176.642 176.300 -0.003 0.000 1.238 360 M CA -0.050 55.239 55.300 -0.020 0.000 0.877 360 M CB 0.402 32.997 32.600 -0.008 0.000 1.424 360 M HN 0.112 nan 8.290 nan 0.000 0.511 361 Q N 0.692 120.487 119.800 -0.008 0.000 2.274 361 Q HA 0.340 4.683 4.340 0.004 0.000 0.280 361 Q C 0.906 176.918 176.000 0.020 0.000 1.047 361 Q CA 1.434 57.244 55.803 0.011 0.000 0.907 361 Q CB 0.344 29.093 28.738 0.019 0.000 1.171 361 Q HN 0.621 nan 8.270 nan 0.000 0.381 362 G N 2.780 111.595 108.800 0.024 0.000 2.299 362 G HA2 -0.358 3.605 3.960 0.004 0.000 0.237 362 G HA3 -0.358 3.605 3.960 0.004 0.000 0.237 362 G C 0.873 175.789 174.900 0.027 0.000 1.027 362 G CA 0.462 45.577 45.100 0.025 0.000 0.619 362 G HN 0.534 nan 8.290 nan 0.000 0.513 363 Q N -0.028 119.791 119.800 0.032 0.000 2.107 363 Q HA 0.530 4.873 4.340 0.004 0.000 0.195 363 Q C 1.564 177.590 176.000 0.043 0.000 0.964 363 Q CA 1.121 56.948 55.803 0.040 0.000 0.833 363 Q CB 0.036 28.806 28.738 0.053 0.000 0.910 363 Q HN 0.658 nan 8.270 nan 0.000 0.465 364 L N -2.812 118.439 121.223 0.047 0.000 2.260 364 L HA 0.585 4.928 4.340 0.004 0.000 0.265 364 L C 0.798 177.694 176.870 0.042 0.000 1.015 364 L CA -0.427 54.443 54.840 0.051 0.000 0.826 364 L CB 1.508 43.613 42.059 0.077 0.000 1.373 364 L HN 0.405 nan 8.230 nan 0.000 0.450 365 G N 0.177 109.005 108.800 0.047 0.000 2.162 365 G HA2 -0.220 3.742 3.960 0.004 0.000 0.260 365 G HA3 -0.220 3.742 3.960 0.004 0.000 0.260 365 G C -0.420 174.507 174.900 0.046 0.000 0.976 365 G CA 0.304 45.437 45.100 0.056 0.000 0.655 365 G HN 0.460 nan 8.290 nan 0.000 0.533 366 V N 0.801 120.734 119.914 0.032 0.000 2.817 366 V HA 0.575 4.697 4.120 0.004 0.000 0.303 366 V C -0.378 175.724 176.094 0.013 0.000 1.151 366 V CA -1.066 61.248 62.300 0.023 0.000 0.929 366 V CB 1.706 33.544 31.823 0.024 0.000 1.030 366 V HN 0.348 nan 8.190 nan 0.000 0.427 367 I N 6.385 126.958 120.570 0.005 0.000 2.308 367 I HA 0.719 4.891 4.170 0.004 0.000 0.293 367 I C 0.399 176.519 176.117 0.005 0.000 1.078 367 I CA 0.360 61.660 61.300 0.000 0.000 1.292 367 I CB 0.820 38.815 38.000 -0.009 0.000 1.423 367 I HN 0.772 nan 8.210 nan 0.000 0.493 368 A N 5.122 127.949 122.820 0.010 0.000 2.610 368 A HA 0.650 4.972 4.320 0.004 0.000 0.291 368 A C -0.877 176.717 177.584 0.017 0.000 1.086 368 A CA -0.598 51.447 52.037 0.015 0.000 0.677 368 A CB 1.156 20.165 19.000 0.015 0.000 1.278 368 A HN 0.234 nan 8.150 nan 0.000 0.414 369 V N 1.305 121.231 119.914 0.019 0.000 2.585 369 V HA 0.443 4.565 4.120 0.004 0.000 0.296 369 V C 1.615 177.718 176.094 0.016 0.000 1.035 369 V CA 1.886 64.197 62.300 0.018 0.000 1.084 369 V CB 0.216 32.050 31.823 0.019 0.000 0.953 369 V HN 2.423 nan 8.190 nan 0.000 0.483 370 G N 3.527 112.336 108.800 0.015 0.000 2.241 370 G HA2 -0.147 3.815 3.960 0.004 0.000 0.244 370 G HA3 -0.147 3.815 3.960 0.004 0.000 0.244 370 G C 0.499 175.409 174.900 0.017 0.000 0.998 370 G CA 0.254 45.363 45.100 0.015 0.000 0.621 370 G HN 1.471 nan 8.290 nan 0.000 0.519 371 A N 0.184 123.014 122.820 0.017 0.000 2.346 371 A HA 0.688 5.011 4.320 0.004 0.000 0.252 371 A C 0.656 178.250 177.584 0.016 0.000 1.089 371 A CA 0.005 52.053 52.037 0.019 0.000 0.797 371 A CB 0.239 19.250 19.000 0.018 0.000 1.047 371 A HN 0.826 nan 8.150 nan 0.000 0.494 372 I N 1.153 121.735 120.570 0.020 0.000 2.471 372 I HA 0.164 4.337 4.170 0.004 0.000 0.286 372 I C 1.182 177.302 176.117 0.006 0.000 1.079 372 I CA 0.072 61.382 61.300 0.016 0.000 1.398 372 I CB 1.169 39.185 38.000 0.028 0.000 1.403 372 I HN 0.684 nan 8.210 nan 0.000 0.530 373 A N 5.210 128.029 122.820 -0.002 0.000 3.125 373 A HA 0.033 4.355 4.320 0.004 0.000 0.272 373 A C -0.251 177.320 177.584 -0.022 0.000 1.976 373 A CA 0.069 52.097 52.037 -0.014 0.000 1.502 373 A CB -0.974 18.016 19.000 -0.016 0.000 0.959 373 A HN 0.626 nan 8.150 nan 0.000 0.608 374 D N 1.374 121.759 120.400 -0.024 0.000 2.479 374 D HA 0.457 5.099 4.640 0.004 0.000 0.247 374 D C -0.679 175.575 176.300 -0.076 0.000 1.119 374 D CA 0.054 54.030 54.000 -0.041 0.000 0.922 374 D CB 0.726 41.515 40.800 -0.019 0.000 1.014 374 D HN 0.140 nan 8.370 nan 0.000 0.510 375 L N 1.826 122.995 121.223 -0.091 0.000 2.346 375 L HA 0.562 4.904 4.340 0.004 0.000 0.274 375 L C -0.235 176.540 176.870 -0.157 0.000 1.007 375 L CA -1.106 53.667 54.840 -0.111 0.000 0.818 375 L CB 1.907 43.921 42.059 -0.075 0.000 1.284 375 L HN -0.007 nan 8.230 nan 0.000 0.424 376 V N 3.545 123.332 119.914 -0.212 0.000 2.409 376 V HA 0.448 4.570 4.120 0.004 0.000 0.291 376 V C -0.142 175.880 176.094 -0.119 0.000 1.020 376 V CA -0.745 61.410 62.300 -0.243 0.000 0.848 376 V CB 2.289 33.785 31.823 -0.545 0.000 0.990 376 V HN 0.439 nan 8.190 nan 0.000 0.430 377 V N 6.740 126.635 119.914 -0.032 0.000 2.364 377 V HA 0.411 4.533 4.120 0.004 0.000 0.272 377 V C -0.338 175.763 176.094 0.011 0.000 1.036 377 V CA -0.423 61.896 62.300 0.032 0.000 0.880 377 V CB 1.384 33.316 31.823 0.183 0.000 0.991 377 V HN 0.525 nan 8.190 nan 0.000 0.460 378 L N 4.435 125.654 121.223 -0.007 0.000 2.333 378 L HA 0.505 4.848 4.340 0.004 0.000 0.280 378 L C -0.137 176.723 176.870 -0.018 0.000 1.004 378 L CA -0.343 54.486 54.840 -0.019 0.000 0.820 378 L CB 1.596 43.644 42.059 -0.018 0.000 1.247 378 L HN 0.627 nan 8.230 nan 0.000 0.416 379 D N 3.377 123.763 120.400 -0.023 0.000 2.508 379 D HA 0.523 5.165 4.640 0.004 0.000 0.224 379 D C 0.280 176.567 176.300 -0.021 0.000 1.171 379 D CA 1.057 55.043 54.000 -0.022 0.000 1.006 379 D CB -0.085 40.698 40.800 -0.029 0.000 1.073 379 D HN 0.788 nan 8.370 nan 0.000 0.513 380 G N 2.322 111.108 108.800 -0.022 0.000 2.351 380 G HA2 -0.005 3.957 3.960 0.004 0.000 0.353 380 G HA3 -0.005 3.957 3.960 0.004 0.000 0.353 380 G C -1.254 173.630 174.900 -0.027 0.000 1.358 380 G CA -1.183 43.903 45.100 -0.022 0.000 0.995 380 G HN 0.456 nan 8.290 nan 0.000 0.611 381 N N 0.935 119.620 118.700 -0.025 0.000 2.476 381 N HA 0.628 5.371 4.740 0.004 0.000 0.257 381 N C -0.735 174.754 175.510 -0.034 0.000 0.970 381 N CA -1.898 51.135 53.050 -0.028 0.000 0.938 381 N CB 2.431 40.906 38.487 -0.020 0.000 1.144 381 N HN 0.178 nan 8.380 nan 0.000 0.500 382 P HA -0.120 nan 4.420 nan 0.000 0.223 382 P C 1.235 178.503 177.300 -0.052 0.000 1.151 382 P CA 0.380 63.434 63.100 -0.077 0.000 0.787 382 P CB 0.419 32.047 31.700 -0.121 0.000 0.788 383 L N -0.202 121.001 121.223 -0.033 0.000 2.275 383 L HA -0.056 4.287 4.340 0.004 0.000 0.215 383 L C 2.189 179.054 176.870 -0.008 0.000 1.119 383 L CA 1.852 56.682 54.840 -0.016 0.000 0.790 383 L CB -1.188 40.865 42.059 -0.011 0.000 0.919 383 L HN -0.044 nan 8.230 nan 0.000 0.443 384 E N -1.971 118.223 120.200 -0.010 0.000 2.306 384 E HA 0.005 4.357 4.350 0.004 0.000 0.201 384 E C -0.042 176.556 176.600 -0.004 0.000 0.874 384 E CA 0.008 56.405 56.400 -0.004 0.000 0.972 384 E CB 0.603 30.302 29.700 -0.002 0.000 0.957 384 E HN 0.142 nan 8.360 nan 0.000 0.492 385 D N 0.377 120.770 120.400 -0.012 0.000 2.427 385 D HA 0.080 4.722 4.640 0.004 0.000 0.226 385 D C 0.408 176.691 176.300 -0.028 0.000 1.076 385 D CA -0.228 53.765 54.000 -0.012 0.000 0.849 385 D CB 1.112 41.906 40.800 -0.010 0.000 1.052 385 D HN -0.034 nan 8.370 nan 0.000 0.515 386 I N 3.537 124.096 120.570 -0.019 0.000 2.493 386 I HA 0.047 4.220 4.170 0.004 0.000 0.254 386 I C 2.107 178.201 176.117 -0.038 0.000 1.160 386 I CA 1.149 62.428 61.300 -0.035 0.000 1.445 386 I CB -0.360 37.650 38.000 0.015 0.000 1.086 386 I HN 0.591 nan 8.210 nan 0.000 0.433 387 G N 0.006 108.802 108.800 -0.006 0.000 2.499 387 G HA2 -0.233 3.729 3.960 0.004 0.000 0.221 387 G HA3 -0.233 3.729 3.960 0.004 0.000 0.221 387 G C 1.698 176.591 174.900 -0.012 0.000 1.109 387 G CA 1.195 46.300 45.100 0.009 0.000 0.749 387 G HN 0.498 nan 8.290 nan 0.000 0.568 388 V N -1.493 118.396 119.914 -0.041 0.000 2.970 388 V HA 0.017 4.139 4.120 0.004 0.000 0.260 388 V C 2.151 178.203 176.094 -0.070 0.000 1.100 388 V CA 1.714 63.987 62.300 -0.045 0.000 1.122 388 V CB -0.058 31.738 31.823 -0.045 0.000 0.721 388 V HN 0.148 nan 8.190 nan 0.000 0.483 389 V N 0.076 119.901 119.914 -0.148 0.000 3.151 389 V HA 0.470 4.593 4.120 0.004 0.000 0.241 389 V C 2.280 178.308 176.094 -0.111 0.000 1.173 389 V CA 0.858 63.000 62.300 -0.263 0.000 1.154 389 V CB -0.019 31.324 31.823 -0.801 0.000 0.898 389 V HN 0.516 nan 8.190 nan 0.000 0.473 390 A N -0.177 122.632 122.820 -0.019 0.000 2.640 390 A HA 0.234 4.557 4.320 0.004 0.000 0.282 390 A C 0.664 178.339 177.584 0.152 0.000 1.357 390 A CA 0.319 52.457 52.037 0.168 0.000 0.946 390 A CB -0.564 18.564 19.000 0.214 0.000 1.065 390 A HN 0.403 nan 8.150 nan 0.000 0.541 391 D N 0.356 120.825 120.400 0.113 0.000 2.755 391 D HA 0.141 4.784 4.640 0.004 0.000 0.257 391 D C 0.205 176.580 176.300 0.125 0.000 1.291 391 D CA 0.051 54.117 54.000 0.110 0.000 0.836 391 D CB -0.154 40.687 40.800 0.069 0.000 1.059 391 D HN 0.265 nan 8.370 nan 0.000 0.486 392 E N -0.313 119.990 120.200 0.172 0.000 2.416 392 E HA -0.231 4.121 4.350 0.004 0.000 0.249 392 E C 0.860 177.545 176.600 0.143 0.000 1.124 392 E CA 0.699 57.203 56.400 0.173 0.000 0.732 392 E CB -1.257 28.525 29.700 0.137 0.000 1.286 392 E HN 0.666 nan 8.360 nan 0.000 0.394 393 G N -0.021 108.870 108.800 0.153 0.000 2.950 393 G HA2 -0.298 3.665 3.960 0.004 0.000 0.299 393 G HA3 -0.298 3.665 3.960 0.004 0.000 0.299 393 G C 1.040 175.977 174.900 0.062 0.000 1.310 393 G CA 2.422 47.586 45.100 0.106 0.000 0.994 393 G HN 1.659 nan 8.290 nan 0.000 0.575 394 A N -1.251 121.595 122.820 0.043 0.000 1.470 394 A HA -0.413 3.910 4.320 0.004 0.000 0.223 394 A C 1.701 179.285 177.584 -0.001 0.000 0.339 394 A CA 3.163 55.213 52.037 0.021 0.000 1.096 394 A CB -1.383 17.635 19.000 0.031 0.000 1.465 394 A HN 1.722 nan 8.150 nan 0.000 0.719 395 R N -0.849 119.651 120.500 0.000 0.000 2.609 395 R HA 0.428 4.771 4.340 0.004 0.000 0.326 395 R C -0.223 176.060 176.300 -0.028 0.000 1.090 395 R CA 0.706 56.796 56.100 -0.017 0.000 1.072 395 R CB 0.785 31.078 30.300 -0.013 0.000 1.330 395 R HN 0.674 nan 8.270 nan 0.000 0.572 396 V N 1.682 121.577 119.914 -0.032 0.000 2.357 396 V HA 0.215 4.337 4.120 0.004 0.000 0.284 396 V C 0.474 176.505 176.094 -0.104 0.000 1.018 396 V CA -0.331 61.938 62.300 -0.052 0.000 0.841 396 V CB 1.504 33.308 31.823 -0.032 0.000 0.991 396 V HN 0.392 nan 8.190 nan 0.000 0.437 397 E N 5.599 125.700 120.200 -0.166 0.000 2.465 397 E HA 0.105 4.457 4.350 0.004 0.000 0.209 397 E C -0.890 175.351 176.600 -0.597 0.000 0.951 397 E CA 0.018 56.199 56.400 -0.365 0.000 0.997 397 E CB 0.519 29.955 29.700 -0.440 0.000 1.025 397 E HN 0.651 nan 8.360 nan 0.000 0.500 398 Y N 0.200 120.466 120.300 -0.056 0.000 2.477 398 Y HA 0.481 5.033 4.550 0.004 0.000 0.347 398 Y C -0.522 175.325 175.900 -0.087 0.000 0.981 398 Y CA -1.109 56.954 58.100 -0.062 0.000 1.033 398 Y CB 2.539 40.964 38.460 -0.059 0.000 1.245 398 Y HN -0.252 nan 8.280 nan 0.000 0.455 399 V N 4.722 124.687 119.914 0.086 0.000 2.443 399 V HA 0.408 4.530 4.120 0.004 0.000 0.293 399 V C -0.895 175.199 176.094 -0.000 0.000 1.021 399 V CA -0.691 61.604 62.300 -0.007 0.000 0.848 399 V CB 1.597 33.394 31.823 -0.044 0.000 0.998 399 V HN 0.496 nan 8.190 nan 0.000 0.424 400 L N 4.154 125.358 121.223 -0.031 0.000 2.309 400 L HA 0.613 4.956 4.340 0.004 0.000 0.282 400 L C -0.085 176.760 176.870 -0.042 0.000 1.036 400 L CA 0.328 55.147 54.840 -0.035 0.000 0.806 400 L CB 1.605 43.637 42.059 -0.045 0.000 1.220 400 L HN 0.708 nan 8.230 nan 0.000 0.429 401 Q N 3.049 122.830 119.800 -0.031 0.000 2.292 401 Q HA 0.417 4.759 4.340 0.004 0.000 0.270 401 Q C -0.605 175.380 176.000 -0.025 0.000 1.024 401 Q CA -0.759 55.027 55.803 -0.029 0.000 0.768 401 Q CB 1.248 29.970 28.738 -0.027 0.000 1.250 401 Q HN 0.406 nan 8.270 nan 0.000 0.447 402 R N 2.745 123.233 120.500 -0.021 0.000 3.109 402 R HA -0.348 3.994 4.340 0.004 0.000 0.241 402 R C 0.653 176.942 176.300 -0.018 0.000 0.882 402 R CA 0.830 56.919 56.100 -0.017 0.000 0.604 402 R CB -1.755 28.533 30.300 -0.019 0.000 1.040 402 R HN 1.160 nan 8.270 nan 0.000 0.480 403 G N -1.332 107.456 108.800 -0.020 0.000 3.206 403 G HA2 -0.403 3.559 3.960 0.004 0.000 0.217 403 G HA3 -0.403 3.559 3.960 0.004 0.000 0.217 403 G C 0.265 175.149 174.900 -0.027 0.000 1.350 403 G CA 0.451 45.538 45.100 -0.022 0.000 0.836 403 G HN 0.745 nan 8.290 nan 0.000 0.548 404 T N 1.118 115.657 114.554 -0.024 0.000 2.899 404 T HA 0.557 4.909 4.350 0.004 0.000 0.295 404 T C 0.330 175.017 174.700 -0.022 0.000 1.033 404 T CA 0.324 62.410 62.100 -0.023 0.000 1.084 404 T CB 1.334 70.190 68.868 -0.020 0.000 0.979 404 T HN 1.332 nan 8.240 nan 0.000 0.532 405 L N 4.902 126.115 121.223 -0.017 0.000 2.305 405 L HA 0.494 4.837 4.340 0.004 0.000 0.281 405 L C 0.434 177.310 176.870 0.010 0.000 1.085 405 L CA 0.084 54.924 54.840 0.000 0.000 0.813 405 L CB 1.110 43.172 42.059 0.005 0.000 1.157 405 L HN 0.637 nan 8.230 nan 0.000 0.436 406 V N 2.217 122.140 119.914 0.015 0.000 3.562 406 V HA 0.385 4.508 4.120 0.004 0.000 0.270 406 V C 0.275 176.377 176.094 0.014 0.000 1.418 406 V CA -0.011 62.294 62.300 0.007 0.000 1.033 406 V CB -0.343 31.476 31.823 -0.006 0.000 0.820 406 V HN 0.619 nan 8.190 nan 0.000 0.441 407 K N 1.687 122.105 120.400 0.030 0.000 2.443 407 K HA 0.574 4.897 4.320 0.004 0.000 0.252 407 K C -1.104 175.518 176.600 0.036 0.000 0.933 407 K CA -0.375 55.922 56.287 0.018 0.000 0.792 407 K CB 3.069 35.566 32.500 -0.005 0.000 1.185 407 K HN 0.134 nan 8.250 nan 0.000 0.425 408 R N 3.240 123.736 120.500 -0.007 0.000 2.422 408 R HA 0.247 4.589 4.340 0.004 0.000 0.307 408 R C -0.773 175.442 176.300 -0.143 0.000 1.004 408 R CA -0.131 55.922 56.100 -0.079 0.000 0.882 408 R CB 0.951 31.269 30.300 0.030 0.000 1.164 408 R HN 0.683 nan 8.270 nan 0.000 0.489 409 Q N 0.000 119.653 119.800 -0.245 0.000 2.315 409 Q HA 0.000 4.342 4.340 0.004 0.000 0.214 409 Q CA 0.000 55.702 55.803 -0.169 0.000 1.022 409 Q CB 0.000 28.663 28.738 -0.126 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481