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 1zgl_1_P DATA FIRST_RESID -1 DATA SEQUENCE GGGGGVTQTP RYLIKTRGQQ VTLScSPISG HRSVSWYQQT PGQGLQFLFE DATA SEQUENCE YFNETQRNKG NFPGXRFSGR QFSNSRSEMN VSTLELGDSA LYLcASSLAD DATA SEQUENCE RVNTEXXAFF GQGTRLTVVE DLKNVFPPEV AVFEPSEAEI SHTQXATLVc DATA SEQUENCE LATGFYPDHV ELSWWVNGKE VHSGVSTDPQ PLKEQPALND SRYSLSSRLR DATA SEQUENCE VSATFWQNPR NHFRcQVQFY GLSENDEWTQ DRAKPVTQIV SAEAWG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 -1 G C 0.000 174.896 174.900 -0.007 0.000 0.946 -1 G CA 0.000 45.097 45.100 -0.006 0.000 0.502 0 G N -0.175 108.623 108.800 -0.004 0.000 3.190 0 G HA2 0.726 4.683 3.960 -0.004 0.000 0.191 0 G HA3 0.726 4.683 3.960 -0.004 0.000 0.191 0 G C 0.642 175.538 174.900 -0.006 0.000 1.523 0 G CA 0.575 45.673 45.100 -0.003 0.000 0.842 0 G HN 0.818 nan 8.290 nan 0.000 0.782 1 G N -0.840 107.955 108.800 -0.008 0.000 2.531 1 G HA2 0.435 4.393 3.960 -0.004 0.000 0.281 1 G HA3 0.435 4.393 3.960 -0.004 0.000 0.281 1 G C 1.214 176.099 174.900 -0.026 0.000 1.382 1 G CA 0.649 45.742 45.100 -0.012 0.000 1.045 1 G HN 0.952 nan 8.290 nan 0.000 0.533 2 G N -1.259 107.523 108.800 -0.031 0.000 2.402 2 G HA2 0.385 4.343 3.960 -0.004 0.000 0.216 2 G HA3 0.385 4.343 3.960 -0.004 0.000 0.216 2 G C 0.717 175.569 174.900 -0.080 0.000 1.162 2 G CA 1.264 46.334 45.100 -0.049 0.000 0.777 2 G HN 1.114 nan 8.290 nan 0.000 0.539 3 G N -1.790 106.964 108.800 -0.076 0.000 2.690 3 G HA2 0.457 4.414 3.960 -0.004 0.000 0.291 3 G HA3 0.457 4.414 3.960 -0.004 0.000 0.291 3 G C -0.325 174.533 174.900 -0.069 0.000 1.403 3 G CA -0.095 44.941 45.100 -0.108 0.000 0.864 3 G HN 0.711 nan 8.290 nan 0.000 0.480 4 V N 0.257 120.131 119.914 -0.067 0.000 5.782 4 V HA -0.171 3.947 4.120 -0.004 0.000 0.131 4 V C 0.855 176.930 176.094 -0.033 0.000 0.762 4 V CA 1.332 63.609 62.300 -0.038 0.000 0.505 4 V CB -2.095 29.724 31.823 -0.007 0.000 0.300 4 V HN 1.066 nan 8.190 nan 0.000 0.352 5 T N 2.508 117.044 114.554 -0.029 0.000 3.029 5 T HA 0.555 4.903 4.350 -0.004 0.000 0.346 5 T C -0.263 174.435 174.700 -0.004 0.000 1.211 5 T CA -0.709 61.383 62.100 -0.013 0.000 1.009 5 T CB 0.839 69.704 68.868 -0.005 0.000 1.084 5 T HN 0.711 nan 8.240 nan 0.000 0.536 6 Q N 2.236 122.030 119.800 -0.010 0.000 2.235 6 Q HA 0.588 4.926 4.340 -0.004 0.000 0.250 6 Q C -0.166 175.856 176.000 0.037 0.000 0.909 6 Q CA -0.809 55.003 55.803 0.015 0.000 0.910 6 Q CB 1.465 30.199 28.738 -0.007 0.000 1.223 6 Q HN 0.828 nan 8.270 nan 0.000 0.432 7 T N -0.756 113.841 114.554 0.072 0.000 2.921 7 T HA 0.579 4.926 4.350 -0.004 0.000 0.297 7 T C -2.737 172.007 174.700 0.073 0.000 1.013 7 T CA -1.888 60.249 62.100 0.062 0.000 0.990 7 T CB 1.818 70.718 68.868 0.052 0.000 1.023 7 T HN 0.316 nan 8.240 nan 0.000 0.447 8 P HA 0.368 nan 4.420 nan 0.000 0.281 8 P C 0.365 177.687 177.300 0.036 0.000 1.264 8 P CA -0.893 62.245 63.100 0.065 0.000 0.824 8 P CB 1.398 33.146 31.700 0.081 0.000 1.092 9 R N -0.012 120.499 120.500 0.018 0.000 2.299 9 R HA 0.125 4.462 4.340 -0.004 0.000 0.197 9 R C -0.373 175.643 176.300 -0.474 0.000 0.971 9 R CA 0.604 56.586 56.100 -0.196 0.000 1.030 9 R CB -0.515 29.648 30.300 -0.229 0.000 0.932 9 R HN 0.416 nan 8.270 nan 0.000 0.477 10 Y N -0.691 119.564 120.300 -0.074 0.000 2.558 10 Y HA 0.565 5.113 4.550 -0.004 0.000 0.333 10 Y C -0.466 175.497 175.900 0.106 0.000 1.125 10 Y CA -1.005 57.094 58.100 -0.003 0.000 1.039 10 Y CB 2.201 40.627 38.460 -0.057 0.000 1.331 10 Y HN -0.059 nan 8.280 nan 0.000 0.456 11 L N 1.168 122.597 121.223 0.344 0.000 2.830 11 L HA 0.809 5.146 4.340 -0.004 0.000 0.259 11 L C -1.152 175.799 176.870 0.135 0.000 0.943 11 L CA -0.572 54.375 54.840 0.178 0.000 0.997 11 L CB 0.077 42.204 42.059 0.113 0.000 1.427 11 L HN 1.077 nan 8.230 nan 0.000 0.456 12 I N 1.478 122.050 120.570 0.004 0.000 2.312 12 I HA 0.914 5.082 4.170 -0.004 0.000 0.291 12 I C 0.148 176.276 176.117 0.018 0.000 1.031 12 I CA -0.896 60.383 61.300 -0.036 0.000 1.293 12 I CB 0.819 38.720 38.000 -0.165 0.000 1.403 12 I HN 0.723 nan 8.210 nan 0.000 0.484 13 K N 3.687 124.117 120.400 0.049 0.000 2.482 13 K HA 0.687 5.004 4.320 -0.004 0.000 0.257 13 K C -0.035 176.600 176.600 0.059 0.000 0.969 13 K CA -0.488 55.826 56.287 0.045 0.000 0.842 13 K CB 2.041 34.557 32.500 0.026 0.000 1.359 13 K HN 0.886 nan 8.250 nan 0.000 0.441 14 T N -0.749 113.835 114.554 0.050 0.000 2.913 14 T HA 0.355 4.703 4.350 -0.004 0.000 0.287 14 T C 0.015 174.740 174.700 0.042 0.000 1.008 14 T CA -0.651 61.481 62.100 0.054 0.000 1.067 14 T CB 0.440 69.337 68.868 0.047 0.000 0.996 14 T HN 0.420 nan 8.240 nan 0.000 0.513 15 R N 2.063 122.592 120.500 0.048 0.000 2.488 15 R HA 0.389 4.726 4.340 -0.004 0.000 0.317 15 R C 1.489 177.804 176.300 0.024 0.000 0.941 15 R CA 0.861 56.985 56.100 0.041 0.000 1.076 15 R CB -0.316 30.012 30.300 0.046 0.000 0.917 15 R HN 1.064 nan 8.270 nan 0.000 0.407 16 G N 1.994 110.802 108.800 0.013 0.000 3.151 16 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.197 16 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.197 16 G C 0.147 175.040 174.900 -0.012 0.000 1.682 16 G CA -0.080 45.022 45.100 0.003 0.000 1.205 16 G HN 0.646 nan 8.290 nan 0.000 0.510 17 Q N 0.988 120.780 119.800 -0.012 0.000 3.047 17 Q HA 0.479 4.817 4.340 -0.004 0.000 0.188 17 Q C 0.598 176.567 176.000 -0.051 0.000 1.187 17 Q CA 0.833 56.620 55.803 -0.026 0.000 1.296 17 Q CB -0.116 28.612 28.738 -0.018 0.000 1.368 17 Q HN 0.841 nan 8.270 nan 0.000 0.711 18 Q N -1.815 117.948 119.800 -0.063 0.000 2.587 18 Q HA 0.786 5.124 4.340 -0.004 0.000 0.293 18 Q C -1.469 174.469 176.000 -0.102 0.000 1.083 18 Q CA -1.160 54.583 55.803 -0.100 0.000 0.792 18 Q CB 2.138 30.816 28.738 -0.100 0.000 1.484 18 Q HN 0.401 nan 8.270 nan 0.000 0.446 19 V N 0.380 120.207 119.914 -0.145 0.000 2.891 19 V HA 0.485 4.602 4.120 -0.004 0.000 0.304 19 V C -1.308 174.675 176.094 -0.185 0.000 1.171 19 V CA -0.605 61.609 62.300 -0.143 0.000 0.943 19 V CB 2.563 34.295 31.823 -0.152 0.000 1.037 19 V HN 0.958 nan 8.190 nan 0.000 0.427 20 T N 5.522 119.988 114.554 -0.146 0.000 2.991 20 T HA 0.567 4.915 4.350 -0.004 0.000 0.347 20 T C -0.294 174.329 174.700 -0.129 0.000 1.122 20 T CA -0.355 61.645 62.100 -0.166 0.000 1.062 20 T CB 0.712 69.506 68.868 -0.124 0.000 1.043 20 T HN 0.242 nan 8.240 nan 0.000 0.491 21 L N 1.812 122.933 121.223 -0.170 0.000 2.470 21 L HA 0.685 5.023 4.340 -0.004 0.000 0.243 21 L C 0.882 177.772 176.870 0.034 0.000 1.227 21 L CA 0.218 55.037 54.840 -0.035 0.000 0.824 21 L CB 0.521 42.606 42.059 0.045 0.000 1.175 21 L HN 0.599 nan 8.230 nan 0.000 0.503 22 S N -1.279 114.555 115.700 0.224 0.000 2.607 22 S HA 0.747 5.215 4.470 -0.004 0.000 0.273 22 S C -1.732 173.093 174.600 0.376 0.000 1.148 22 S CA -0.598 57.758 58.200 0.261 0.000 0.833 22 S CB 1.385 64.661 63.200 0.125 0.000 1.130 22 S HN 0.783 nan 8.310 nan 0.000 0.470 23 c N 2.315 121.094 118.600 0.298 0.000 2.989 23 c HA 0.739 5.306 4.570 -0.004 0.000 0.397 23 c C -0.880 173.263 174.090 0.089 0.000 1.022 23 c CA -0.326 56.071 56.329 0.112 0.000 1.232 23 c CB 0.529 42.960 42.510 -0.132 0.000 1.638 23 c HN 0.808 nan 8.230 nan 0.000 0.534 24 S N 7.282 123.005 115.700 0.038 0.000 2.498 24 S HA 0.665 5.133 4.470 -0.004 0.000 0.324 24 S C -1.957 172.648 174.600 0.008 0.000 1.071 24 S CA -0.877 57.345 58.200 0.037 0.000 1.113 24 S CB 1.139 64.354 63.200 0.025 0.000 0.976 24 S HN 0.795 nan 8.310 nan 0.000 0.462 25 P HA 0.017 nan 4.420 nan 0.000 0.278 25 P C -0.247 177.022 177.300 -0.052 0.000 1.268 25 P CA -0.193 62.922 63.100 0.025 0.000 0.813 25 P CB 0.491 32.256 31.700 0.109 0.000 1.180 26 I N -0.113 120.358 120.570 -0.165 0.000 2.416 26 I HA -0.003 4.164 4.170 -0.004 0.000 0.288 26 I C 1.309 177.187 176.117 -0.398 0.000 1.051 26 I CA -0.147 60.894 61.300 -0.431 0.000 1.375 26 I CB 0.548 37.974 38.000 -0.957 0.000 1.407 26 I HN 0.319 nan 8.210 nan 0.000 0.516 27 S N 5.329 120.892 115.700 -0.228 0.000 3.298 27 S HA 0.003 4.470 4.470 -0.004 0.000 0.389 27 S C 1.113 175.650 174.600 -0.105 0.000 1.186 27 S CA 1.043 59.169 58.200 -0.122 0.000 1.034 27 S CB -0.478 62.666 63.200 -0.094 0.000 0.735 27 S HN 1.104 nan 8.310 nan 0.000 0.510 28 G N 4.269 113.070 108.800 0.002 0.000 2.397 28 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.211 28 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.211 28 G C 0.102 175.138 174.900 0.227 0.000 1.077 28 G CA 0.107 45.265 45.100 0.096 0.000 0.649 28 G HN 0.877 nan 8.290 nan 0.000 0.511 29 H N 1.108 120.216 119.070 0.062 0.000 2.948 29 H HA 0.382 4.935 4.556 -0.004 0.000 0.351 29 H C 1.217 176.621 175.328 0.126 0.000 1.079 29 H CA 0.456 56.560 56.048 0.093 0.000 1.407 29 H CB 0.470 30.287 29.762 0.093 0.000 1.373 29 H HN 0.405 nan 8.280 nan 0.000 0.605 30 R N 0.917 121.584 120.500 0.277 0.000 2.543 30 R HA 0.183 4.520 4.340 -0.004 0.000 0.323 30 R C -0.267 176.268 176.300 0.392 0.000 1.002 30 R CA -0.124 56.175 56.100 0.331 0.000 1.106 30 R CB 0.919 31.487 30.300 0.448 0.000 1.280 30 R HN 0.267 nan 8.270 nan 0.000 0.549 31 S N 0.271 116.134 115.700 0.271 0.000 2.546 31 S HA 0.599 5.067 4.470 -0.004 0.000 0.274 31 S C -1.256 173.466 174.600 0.202 0.000 1.121 31 S CA -0.566 57.792 58.200 0.264 0.000 0.887 31 S CB 1.941 65.239 63.200 0.162 0.000 1.094 31 S HN -0.062 nan 8.310 nan 0.000 0.474 32 V N 2.911 122.965 119.914 0.235 0.000 2.638 32 V HA 0.797 4.915 4.120 -0.004 0.000 0.306 32 V C -0.220 175.999 176.094 0.207 0.000 1.052 32 V CA -0.620 61.769 62.300 0.147 0.000 0.885 32 V CB 1.691 33.604 31.823 0.149 0.000 0.999 32 V HN 0.882 nan 8.190 nan 0.000 0.424 33 S N 3.514 119.201 115.700 -0.022 0.000 2.568 33 S HA 0.825 5.292 4.470 -0.004 0.000 0.293 33 S C -2.063 172.337 174.600 -0.333 0.000 1.089 33 S CA -0.460 57.731 58.200 -0.015 0.000 0.945 33 S CB 1.457 64.660 63.200 0.005 0.000 1.077 33 S HN 0.539 nan 8.310 nan 0.000 0.485 34 W N 2.232 123.330 121.300 -0.337 0.000 2.702 34 W HA 0.652 5.310 4.660 -0.004 0.000 0.331 34 W C -1.410 174.722 176.519 -0.645 0.000 1.049 34 W CA -0.475 56.690 57.345 -0.300 0.000 1.230 34 W CB 1.112 30.576 29.460 0.006 0.000 1.408 34 W HN 0.565 nan 8.180 nan 0.000 0.492 35 Y N 1.106 121.432 120.300 0.043 0.000 2.462 35 Y HA 0.329 4.876 4.550 -0.004 0.000 0.346 35 Y C -0.108 175.812 175.900 0.033 0.000 0.976 35 Y CA -1.408 56.714 58.100 0.036 0.000 1.044 35 Y CB 2.339 40.876 38.460 0.128 0.000 1.230 35 Y HN 0.296 nan 8.280 nan 0.000 0.455 36 Q N 3.131 123.027 119.800 0.160 0.000 2.400 36 Q HA 0.233 4.570 4.340 -0.004 0.000 0.255 36 Q C -1.112 174.897 176.000 0.016 0.000 1.008 36 Q CA -0.811 54.964 55.803 -0.047 0.000 0.841 36 Q CB 1.123 29.851 28.738 -0.017 0.000 1.220 36 Q HN 0.785 nan 8.270 nan 0.000 0.474 37 Q N 3.169 122.937 119.800 -0.053 0.000 2.441 37 Q HA 0.220 4.558 4.340 -0.004 0.000 0.234 37 Q C -1.161 174.815 176.000 -0.040 0.000 1.078 37 Q CA -0.084 55.711 55.803 -0.014 0.000 0.907 37 Q CB 0.626 29.361 28.738 -0.004 0.000 1.269 37 Q HN 0.533 nan 8.270 nan 0.000 0.502 38 T N 2.549 117.100 114.554 -0.004 0.000 2.945 38 T HA 0.442 4.790 4.350 -0.004 0.000 0.286 38 T C -2.009 172.700 174.700 0.016 0.000 1.025 38 T CA -1.652 60.454 62.100 0.009 0.000 1.039 38 T CB 1.495 70.386 68.868 0.038 0.000 1.068 38 T HN 0.449 nan 8.240 nan 0.000 0.497 39 P HA 0.219 nan 4.420 nan 0.000 0.261 39 P C 0.563 177.878 177.300 0.025 0.000 1.268 39 P CA 0.068 63.181 63.100 0.021 0.000 0.833 39 P CB 0.160 31.876 31.700 0.027 0.000 1.231 40 G N -1.108 107.711 108.800 0.031 0.000 5.001 40 G HA2 0.564 4.521 3.960 -0.004 0.000 0.304 40 G HA3 0.564 4.521 3.960 -0.004 0.000 0.304 40 G C 0.035 174.949 174.900 0.022 0.000 1.400 40 G CA 0.540 45.657 45.100 0.030 0.000 1.029 40 G HN 0.539 nan 8.290 nan 0.000 0.584 41 Q N -1.190 118.619 119.800 0.015 0.000 2.775 41 Q HA 0.622 4.960 4.340 -0.004 0.000 0.314 41 Q C 0.025 176.034 176.000 0.014 0.000 0.746 41 Q CA 0.012 55.819 55.803 0.008 0.000 1.047 41 Q CB -0.637 28.105 28.738 0.008 0.000 1.180 41 Q HN 2.297 nan 8.270 nan 0.000 0.479 42 G N -1.261 107.554 108.800 0.024 0.000 2.443 42 G HA2 0.656 4.613 3.960 -0.004 0.000 0.303 42 G HA3 0.656 4.613 3.960 -0.004 0.000 0.303 42 G C -0.668 174.260 174.900 0.046 0.000 1.613 42 G CA 0.103 45.216 45.100 0.022 0.000 0.879 42 G HN 2.176 nan 8.290 nan 0.000 0.632 43 L N 0.386 121.639 121.223 0.050 0.000 3.869 43 L HA -0.130 4.208 4.340 -0.004 0.000 0.545 43 L C -0.134 176.844 176.870 0.179 0.000 0.998 43 L CA 0.916 55.810 54.840 0.090 0.000 0.957 43 L CB -0.332 41.723 42.059 -0.007 0.000 0.746 43 L HN 0.794 nan 8.230 nan 0.000 0.820 44 Q N 3.135 123.113 119.800 0.296 0.000 2.321 44 Q HA 0.416 4.753 4.340 -0.004 0.000 0.270 44 Q C -0.710 175.614 176.000 0.541 0.000 1.032 44 Q CA -0.589 55.438 55.803 0.374 0.000 0.784 44 Q CB 1.396 30.314 28.738 0.300 0.000 1.264 44 Q HN 0.378 nan 8.270 nan 0.000 0.448 45 F N 3.818 123.995 119.950 0.379 0.000 2.553 45 F HA 0.015 4.540 4.527 -0.003 0.000 0.356 45 F C -0.122 175.602 175.800 -0.126 0.000 1.142 45 F CA 0.355 58.382 58.000 0.044 0.000 1.322 45 F CB 0.543 39.582 39.000 0.065 0.000 1.126 45 F HN 0.509 nan 8.300 nan 0.000 0.599 46 L N 4.098 124.517 121.223 -1.340 0.000 2.670 46 L HA 0.362 4.699 4.340 -0.004 0.000 0.177 46 L C -0.688 174.966 176.870 -2.028 0.000 1.181 46 L CA 0.643 54.454 54.840 -1.715 0.000 0.856 46 L CB -0.697 40.361 42.059 -1.669 0.000 1.205 46 L HN 0.640 nan 8.230 nan 0.000 0.506 47 F N -1.532 117.719 119.950 -1.165 0.000 2.746 47 F HA 0.530 5.055 4.527 -0.004 0.000 0.311 47 F C -0.442 175.168 175.800 -0.316 0.000 1.135 47 F CA -1.595 55.998 58.000 -0.678 0.000 0.954 47 F CB 0.854 39.734 39.000 -0.199 0.000 1.276 47 F HN -0.111 nan 8.300 nan 0.000 0.440 48 E N 0.728 120.997 120.200 0.115 0.000 2.277 48 E HA 0.595 4.942 4.350 -0.004 0.000 0.266 48 E C -2.096 174.365 176.600 -0.231 0.000 0.901 48 E CA -0.552 55.934 56.400 0.143 0.000 0.782 48 E CB 2.552 32.414 29.700 0.270 0.000 1.228 48 E HN 0.657 nan 8.360 nan 0.000 0.424 49 Y N 1.307 121.727 120.300 0.200 0.000 2.576 49 Y HA 0.655 5.203 4.550 -0.004 0.000 0.346 49 Y C -0.574 175.484 175.900 0.264 0.000 1.018 49 Y CA -0.819 57.385 58.100 0.173 0.000 1.050 49 Y CB 1.841 40.367 38.460 0.110 0.000 1.280 49 Y HN 0.503 nan 8.280 nan 0.000 0.474 50 F N -0.587 119.462 119.950 0.164 0.000 2.744 50 F HA 0.198 4.723 4.527 -0.004 0.000 0.311 50 F C 0.435 176.292 175.800 0.095 0.000 1.144 50 F CA -0.744 57.323 58.000 0.112 0.000 0.938 50 F CB 1.149 40.191 39.000 0.069 0.000 1.292 50 F HN 0.461 nan 8.300 nan 0.000 0.444 51 N N 1.935 120.031 118.700 -1.006 0.000 2.602 51 N HA -0.306 4.432 4.740 -0.004 0.000 0.242 51 N C 0.502 175.854 175.510 -0.262 0.000 1.200 51 N CA 2.467 55.086 53.050 -0.719 0.000 0.848 51 N CB -1.292 36.696 38.487 -0.832 0.000 1.195 51 N HN 0.867 nan 8.380 nan 0.000 0.585 52 E N -5.504 114.634 120.200 -0.103 0.000 4.253 52 E HA -0.207 4.141 4.350 -0.004 0.000 0.360 52 E C 0.907 177.525 176.600 0.030 0.000 0.664 52 E CA 1.166 57.555 56.400 -0.019 0.000 1.432 52 E CB -2.128 27.534 29.700 -0.064 0.000 1.769 52 E HN 0.837 nan 8.360 nan 0.000 0.386 53 T N -1.024 113.545 114.554 0.024 0.000 2.781 53 T HA -0.072 4.275 4.350 -0.004 0.000 0.252 53 T C 0.794 175.486 174.700 -0.014 0.000 1.039 53 T CA 0.847 62.955 62.100 0.012 0.000 1.147 53 T CB 0.194 69.056 68.868 -0.009 0.000 0.865 53 T HN 0.253 nan 8.240 nan 0.000 0.423 54 Q N 0.522 120.240 119.800 -0.137 0.000 2.166 54 Q HA -0.125 4.213 4.340 -0.004 0.000 0.284 54 Q C 0.230 176.110 176.000 -0.200 0.000 1.102 54 Q CA -0.047 55.441 55.803 -0.525 0.000 0.572 54 Q CB -0.637 27.788 28.738 -0.522 0.000 0.861 54 Q HN 0.572 nan 8.270 nan 0.000 0.330 55 R N 0.784 121.228 120.500 -0.094 0.000 2.189 55 R HA 0.112 4.450 4.340 -0.004 0.000 0.218 55 R C 0.917 177.231 176.300 0.022 0.000 1.074 55 R CA 1.139 57.240 56.100 0.002 0.000 0.991 55 R CB 0.159 30.490 30.300 0.052 0.000 0.883 55 R HN 0.340 nan 8.270 nan 0.000 0.457 56 N N -1.196 117.538 118.700 0.056 0.000 2.264 56 N HA 0.163 4.900 4.740 -0.004 0.000 0.288 56 N C -0.509 175.165 175.510 0.273 0.000 1.094 56 N CA 0.068 53.210 53.050 0.154 0.000 0.817 56 N CB 1.763 40.338 38.487 0.146 0.000 1.604 56 N HN -0.021 nan 8.380 nan 0.000 0.473 57 K N 1.391 121.952 120.400 0.268 0.000 2.354 57 K HA 0.341 4.659 4.320 -0.004 0.000 0.194 57 K C 1.046 177.842 176.600 0.326 0.000 1.038 57 K CA 0.785 57.250 56.287 0.297 0.000 1.052 57 K CB -0.780 31.844 32.500 0.207 0.000 0.861 57 K HN 1.037 nan 8.250 nan 0.000 0.535 58 G N 0.883 109.970 108.800 0.477 0.000 2.682 58 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.256 58 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.256 58 G C 0.119 175.170 174.900 0.252 0.000 1.333 58 G CA 0.053 45.458 45.100 0.507 0.000 0.904 58 G HN 0.551 nan 8.290 nan 0.000 0.569 59 N N -1.012 117.827 118.700 0.231 0.000 2.379 59 N HA 0.597 5.334 4.740 -0.004 0.000 0.284 59 N C 0.622 176.218 175.510 0.143 0.000 1.330 59 N CA 0.696 53.783 53.050 0.061 0.000 0.933 59 N CB -0.371 38.009 38.487 -0.178 0.000 1.078 59 N HN 0.821 nan 8.380 nan 0.000 0.490 60 F N -1.687 118.155 119.950 -0.180 0.000 2.177 60 F HA -0.192 4.332 4.527 -0.004 0.000 0.339 60 F C -1.633 174.122 175.800 -0.075 0.000 1.260 60 F CA -0.637 57.192 58.000 -0.286 0.000 0.998 60 F CB -1.484 37.112 39.000 -0.673 0.000 4.007 60 F HN 0.410 nan 8.300 nan 0.000 0.261 61 P HA 0.372 nan 4.420 nan 0.000 0.337 61 P C 0.352 177.828 177.300 0.294 0.000 1.340 61 P CA 0.385 63.623 63.100 0.230 0.000 0.764 61 P CB 0.257 32.092 31.700 0.225 0.000 1.718 65 F N 2.787 122.789 119.950 0.086 0.000 2.402 65 F HA 0.584 5.109 4.527 -0.003 0.000 0.355 65 F C 0.444 176.324 175.800 0.133 0.000 1.123 65 F CA -0.402 57.662 58.000 0.107 0.000 1.021 65 F CB 1.962 41.042 39.000 0.133 0.000 1.160 65 F HN 0.085 nan 8.300 nan 0.000 0.451 66 S N 1.112 116.835 115.700 0.039 0.000 2.740 66 S HA 1.037 5.505 4.470 -0.004 0.000 0.300 66 S C -0.384 173.820 174.600 -0.659 0.000 1.147 66 S CA -0.887 57.179 58.200 -0.224 0.000 0.871 66 S CB 2.076 65.173 63.200 -0.172 0.000 1.173 66 S HN 0.921 nan 8.310 nan 0.000 0.510 67 G N -0.441 107.930 108.800 -0.716 0.000 2.506 67 G HA2 0.702 4.659 3.960 -0.004 0.000 0.292 67 G HA3 0.702 4.659 3.960 -0.004 0.000 0.292 67 G C -1.828 172.646 174.900 -0.710 0.000 1.425 67 G CA -0.810 43.754 45.100 -0.893 0.000 0.788 67 G HN 1.152 nan 8.290 nan 0.000 0.490 68 R N -0.785 119.115 120.500 -1.000 0.000 2.728 68 R HA 0.632 4.970 4.340 -0.004 0.000 0.259 68 R C -1.802 173.897 176.300 -1.002 0.000 1.057 68 R CA -0.839 54.742 56.100 -0.865 0.000 0.908 68 R CB 1.207 31.119 30.300 -0.648 0.000 1.259 68 R HN 0.649 nan 8.270 nan 0.000 0.472 69 Q N 3.713 123.078 119.800 -0.726 0.000 2.339 69 Q HA 0.337 4.675 4.340 -0.004 0.000 0.268 69 Q C -1.247 174.564 176.000 -0.315 0.000 1.027 69 Q CA -0.748 54.803 55.803 -0.420 0.000 0.759 69 Q CB 0.808 29.491 28.738 -0.092 0.000 1.244 69 Q HN 0.533 nan 8.270 nan 0.000 0.464 70 F N 0.663 120.572 119.950 -0.067 0.000 2.472 70 F HA 0.026 4.551 4.527 -0.004 0.000 0.312 70 F C 2.001 177.787 175.800 -0.024 0.000 1.256 70 F CA 0.333 58.307 58.000 -0.044 0.000 1.275 70 F CB 0.465 39.440 39.000 -0.043 0.000 1.228 70 F HN 0.590 nan 8.300 nan 0.000 0.567 71 S N 0.152 115.968 115.700 0.194 0.000 2.359 71 S HA -0.277 4.191 4.470 -0.004 0.000 0.224 71 S C 1.475 176.123 174.600 0.081 0.000 1.035 71 S CA 1.727 59.981 58.200 0.091 0.000 1.018 71 S CB -0.995 62.249 63.200 0.074 0.000 0.876 71 S HN 0.784 nan 8.310 nan 0.000 0.448 72 N N 0.743 119.501 118.700 0.097 0.000 2.575 72 N HA -0.049 4.688 4.740 -0.004 0.000 0.192 72 N C 0.791 176.355 175.510 0.090 0.000 1.200 72 N CA 0.825 53.918 53.050 0.073 0.000 0.897 72 N CB -0.037 38.478 38.487 0.047 0.000 0.990 72 N HN 0.467 nan 8.380 nan 0.000 0.449 73 S N -1.249 114.519 115.700 0.113 0.000 2.044 73 S HA -0.280 4.187 4.470 -0.004 0.000 0.248 73 S C 0.389 175.074 174.600 0.142 0.000 1.146 73 S CA 0.138 58.413 58.200 0.125 0.000 1.370 73 S CB -1.812 61.467 63.200 0.131 0.000 1.698 73 S HN 0.645 nan 8.310 nan 0.000 0.578 74 R N 1.983 122.577 120.500 0.157 0.000 2.756 74 R HA 0.479 4.816 4.340 -0.004 0.000 0.264 74 R C 0.070 176.511 176.300 0.236 0.000 1.026 74 R CA 1.036 57.243 56.100 0.179 0.000 1.121 74 R CB 0.424 30.816 30.300 0.152 0.000 0.999 74 R HN 0.522 nan 8.270 nan 0.000 0.449 75 S N 1.045 116.879 115.700 0.223 0.000 2.595 75 S HA 0.394 4.862 4.470 -0.004 0.000 0.281 75 S C -1.703 173.021 174.600 0.205 0.000 1.117 75 S CA -0.832 57.458 58.200 0.150 0.000 0.873 75 S CB 1.594 64.899 63.200 0.174 0.000 1.108 75 S HN 0.660 nan 8.310 nan 0.000 0.477 76 E N 2.112 122.282 120.200 -0.049 0.000 2.293 76 E HA 0.398 4.746 4.350 -0.004 0.000 0.270 76 E C -1.248 175.012 176.600 -0.567 0.000 0.879 76 E CA -0.622 55.688 56.400 -0.151 0.000 0.756 76 E CB 2.329 32.026 29.700 -0.006 0.000 1.208 76 E HN 0.623 nan 8.360 nan 0.000 0.428 77 M N 3.625 122.754 119.600 -0.785 0.000 2.259 77 M HA 0.337 4.815 4.480 -0.004 0.000 0.304 77 M C -1.683 174.267 176.300 -0.584 0.000 1.019 77 M CA -0.533 54.177 55.300 -0.983 0.000 0.922 77 M CB 1.510 33.047 32.600 -1.772 0.000 1.600 77 M HN 0.501 nan 8.290 nan 0.000 0.433 78 N N 4.227 122.655 118.700 -0.454 0.000 2.319 78 N HA 0.642 5.379 4.740 -0.004 0.000 0.305 78 N C -1.866 173.439 175.510 -0.341 0.000 1.103 78 N CA -0.355 52.490 53.050 -0.341 0.000 0.815 78 N CB 2.372 40.701 38.487 -0.263 0.000 1.288 78 N HN 0.580 nan 8.380 nan 0.000 0.493 79 V N 0.117 119.799 119.914 -0.387 0.000 2.419 79 V HA 0.515 4.633 4.120 -0.004 0.000 0.287 79 V C -0.077 175.793 176.094 -0.373 0.000 1.017 79 V CA -0.849 61.123 62.300 -0.548 0.000 0.844 79 V CB 0.523 31.930 31.823 -0.693 0.000 1.011 79 V HN 0.542 nan 8.190 nan 0.000 0.429 80 S N 3.232 118.750 115.700 -0.305 0.000 2.584 80 S HA 0.492 4.959 4.470 -0.004 0.000 0.273 80 S C 0.823 175.336 174.600 -0.146 0.000 1.311 80 S CA 0.346 58.439 58.200 -0.179 0.000 1.034 80 S CB 1.131 64.261 63.200 -0.117 0.000 0.939 80 S HN 2.104 nan 8.310 nan 0.000 0.513 81 T N 0.997 115.496 114.554 -0.091 0.000 2.773 81 T HA -0.219 4.128 4.350 -0.004 0.000 0.474 81 T C -0.036 174.633 174.700 -0.051 0.000 0.782 81 T CA 0.003 62.071 62.100 -0.052 0.000 2.454 81 T CB -2.083 66.770 68.868 -0.025 0.000 1.629 81 T HN 0.454 nan 8.240 nan 0.000 0.500 82 L N 1.664 122.851 121.223 -0.059 0.000 2.516 82 L HA 0.304 4.642 4.340 -0.004 0.000 0.288 82 L C 1.232 178.118 176.870 0.026 0.000 1.246 82 L CA 0.335 55.155 54.840 -0.033 0.000 0.844 82 L CB 0.118 42.164 42.059 -0.021 0.000 1.106 82 L HN 0.638 nan 8.230 nan 0.000 0.509 83 E N 1.263 121.505 120.200 0.070 0.000 2.277 83 E HA 0.264 4.612 4.350 -0.004 0.000 0.266 83 E C 0.517 177.188 176.600 0.118 0.000 0.901 83 E CA -0.843 55.614 56.400 0.095 0.000 0.782 83 E CB 2.027 31.801 29.700 0.123 0.000 1.228 83 E HN 0.457 nan 8.360 nan 0.000 0.424 84 L N 0.837 122.126 121.223 0.110 0.000 2.081 84 L HA -0.118 4.220 4.340 -0.004 0.000 0.212 84 L C 1.619 178.577 176.870 0.147 0.000 1.080 84 L CA 1.432 56.347 54.840 0.124 0.000 0.754 84 L CB -0.353 41.770 42.059 0.107 0.000 0.893 84 L HN 0.688 nan 8.230 nan 0.000 0.433 85 G N -0.972 107.915 108.800 0.145 0.000 3.284 85 G HA2 0.015 3.973 3.960 -0.004 0.000 0.251 85 G HA3 0.015 3.973 3.960 -0.004 0.000 0.251 85 G C 0.216 175.247 174.900 0.218 0.000 0.913 85 G CA -0.044 45.151 45.100 0.158 0.000 1.947 85 G HN 0.299 nan 8.290 nan 0.000 0.635 86 D N -0.655 119.890 120.400 0.242 0.000 2.460 86 D HA 0.004 4.641 4.640 -0.004 0.000 0.263 86 D C 0.442 176.957 176.300 0.359 0.000 1.209 86 D CA -0.038 54.172 54.000 0.350 0.000 0.818 86 D CB 0.609 41.612 40.800 0.338 0.000 1.239 86 D HN 0.194 nan 8.370 nan 0.000 0.530 87 S N 1.324 117.178 115.700 0.256 0.000 2.481 87 S HA 0.537 5.004 4.470 -0.004 0.000 0.282 87 S C 0.316 175.021 174.600 0.176 0.000 1.243 87 S CA -0.118 58.226 58.200 0.240 0.000 1.078 87 S CB 1.383 64.706 63.200 0.205 0.000 0.916 87 S HN 0.388 nan 8.310 nan 0.000 0.495 88 A N 2.769 125.673 122.820 0.141 0.000 2.483 88 A HA 0.631 4.949 4.320 -0.004 0.000 0.306 88 A C -1.458 176.059 177.584 -0.112 0.000 1.137 88 A CA -0.799 51.201 52.037 -0.060 0.000 0.626 88 A CB 0.597 19.452 19.000 -0.241 0.000 1.352 88 A HN 0.700 nan 8.150 nan 0.000 0.508 89 L N 1.691 122.802 121.223 -0.188 0.000 2.494 89 L HA 0.443 4.781 4.340 -0.004 0.000 0.251 89 L C -1.235 175.564 176.870 -0.119 0.000 1.119 89 L CA -0.585 54.196 54.840 -0.098 0.000 1.026 89 L CB -0.501 41.524 42.059 -0.057 0.000 1.370 89 L HN 0.687 nan 8.230 nan 0.000 0.426 90 Y N 3.180 123.556 120.300 0.127 0.000 2.802 90 Y HA -0.022 4.526 4.550 -0.004 0.000 0.333 90 Y C 0.363 176.362 175.900 0.166 0.000 1.244 90 Y CA 0.527 58.744 58.100 0.196 0.000 1.558 90 Y CB 0.113 38.728 38.460 0.259 0.000 1.233 90 Y HN 0.428 nan 8.280 nan 0.000 0.547 91 L N 3.615 124.968 121.223 0.216 0.000 2.334 91 L HA 0.599 4.936 4.340 -0.004 0.000 0.272 91 L C -0.501 176.269 176.870 -0.168 0.000 1.020 91 L CA -0.749 54.144 54.840 0.089 0.000 0.812 91 L CB 1.708 43.896 42.059 0.214 0.000 1.264 91 L HN 0.702 nan 8.230 nan 0.000 0.439 92 c N 2.051 120.434 118.600 -0.361 0.000 2.547 92 c HA 0.921 5.488 4.570 -0.004 0.000 0.313 92 c C -0.310 173.477 174.090 -0.505 0.000 1.191 92 c CA -0.378 55.538 56.329 -0.689 0.000 1.474 92 c CB 0.708 42.714 42.510 -0.840 0.000 2.081 92 c HN 0.881 nan 8.230 nan 0.000 0.476 93 A N 3.913 126.421 122.820 -0.520 0.000 2.401 93 A HA 0.939 5.256 4.320 -0.004 0.000 0.310 93 A C -0.335 177.187 177.584 -0.103 0.000 1.075 93 A CA -0.094 51.725 52.037 -0.363 0.000 0.746 93 A CB 1.600 20.224 19.000 -0.627 0.000 1.277 93 A HN 1.686 nan 8.150 nan 0.000 0.425 94 S N 0.422 116.187 115.700 0.107 0.000 2.632 94 S HA 0.947 5.414 4.470 -0.004 0.000 0.289 94 S C -0.368 174.402 174.600 0.284 0.000 1.115 94 S CA 0.156 58.500 58.200 0.239 0.000 0.889 94 S CB 1.648 65.068 63.200 0.366 0.000 1.116 94 S HN 2.354 nan 8.310 nan 0.000 0.486 95 S N 0.471 116.202 115.700 0.051 0.000 2.615 95 S HA 0.404 4.871 4.470 -0.004 0.000 0.268 95 S C -0.122 174.218 174.600 -0.434 0.000 1.146 95 S CA -0.950 57.048 58.200 -0.337 0.000 0.818 95 S CB 0.230 63.358 63.200 -0.119 0.000 1.111 95 S HN 0.540 nan 8.310 nan 0.000 0.465 96 L N 1.184 122.140 121.223 -0.444 0.000 2.551 96 L HA 0.277 4.614 4.340 -0.004 0.000 0.228 96 L C 2.219 179.021 176.870 -0.114 0.000 1.153 96 L CA 1.606 56.350 54.840 -0.160 0.000 0.851 96 L CB -1.954 40.060 42.059 -0.074 0.000 0.959 96 L HN 1.487 nan 8.230 nan 0.000 0.451 97 A N -0.671 122.041 122.820 -0.180 0.000 2.979 97 A HA -0.279 4.039 4.320 -0.004 0.000 0.260 97 A C 1.420 178.832 177.584 -0.287 0.000 1.282 97 A CA 1.241 53.087 52.037 -0.318 0.000 0.971 97 A CB -1.671 16.962 19.000 -0.610 0.000 1.124 97 A HN 0.407 nan 8.150 nan 0.000 0.826 98 D N -0.233 120.071 120.400 -0.160 0.000 2.084 98 D HA 0.017 4.655 4.640 -0.004 0.000 0.199 98 D C 1.127 177.371 176.300 -0.094 0.000 0.981 98 D CA 1.211 55.148 54.000 -0.105 0.000 0.841 98 D CB -0.210 40.558 40.800 -0.053 0.000 0.997 98 D HN 0.616 nan 8.370 nan 0.000 0.454 99 R N 0.494 120.944 120.500 -0.082 0.000 2.698 99 R HA 0.188 4.526 4.340 -0.004 0.000 0.266 99 R C -0.346 175.909 176.300 -0.074 0.000 1.026 99 R CA -0.143 55.917 56.100 -0.067 0.000 1.102 99 R CB 0.295 30.558 30.300 -0.062 0.000 0.978 99 R HN -0.115 nan 8.270 nan 0.000 0.436 100 V N 4.882 124.762 119.914 -0.056 0.000 2.405 100 V HA 0.154 4.271 4.120 -0.004 0.000 0.264 100 V C 0.030 176.093 176.094 -0.052 0.000 1.048 100 V CA -0.137 62.133 62.300 -0.052 0.000 0.966 100 V CB -0.710 31.091 31.823 -0.038 0.000 1.015 100 V HN 0.884 nan 8.190 nan 0.000 0.477 101 N N 2.566 121.231 118.700 -0.057 0.000 3.433 101 N HA -0.122 4.616 4.740 -0.004 0.000 0.258 101 N C -0.074 175.399 175.510 -0.062 0.000 1.729 101 N CA -0.037 52.981 53.050 -0.054 0.000 1.869 101 N CB -0.197 38.261 38.487 -0.048 0.000 0.789 101 N HN 0.719 nan 8.380 nan 0.000 0.499 102 T N 1.669 116.188 114.554 -0.058 0.000 2.860 102 T HA -0.138 4.210 4.350 -0.004 0.000 0.295 102 T C 0.653 175.310 174.700 -0.073 0.000 1.041 102 T CA 0.388 62.455 62.100 -0.055 0.000 1.132 102 T CB 0.703 69.561 68.868 -0.017 0.000 1.072 102 T HN 0.286 nan 8.240 nan 0.000 0.504 107 F N 2.293 122.370 119.950 0.211 0.000 2.411 107 F HA 0.735 5.260 4.527 -0.003 0.000 0.352 107 F C -0.100 175.880 175.800 0.300 0.000 1.123 107 F CA -0.574 57.576 58.000 0.250 0.000 1.044 107 F CB 1.267 40.384 39.000 0.194 0.000 1.135 107 F HN 0.468 nan 8.300 nan 0.000 0.461 108 F N 1.414 121.464 119.950 0.166 0.000 2.379 108 F HA 0.625 5.149 4.527 -0.004 0.000 0.332 108 F C 0.944 176.779 175.800 0.058 0.000 1.096 108 F CA -1.008 57.041 58.000 0.082 0.000 1.105 108 F CB 0.892 39.909 39.000 0.028 0.000 1.189 108 F HN 0.505 nan 8.300 nan 0.000 0.515 109 G N 0.831 109.727 108.800 0.159 0.000 2.531 109 G HA2 0.246 4.204 3.960 -0.004 0.000 0.281 109 G HA3 0.246 4.204 3.960 -0.004 0.000 0.281 109 G C 0.263 175.210 174.900 0.079 0.000 1.382 109 G CA -0.274 44.870 45.100 0.075 0.000 1.045 109 G HN 0.570 nan 8.290 nan 0.000 0.533 110 Q N -1.311 118.504 119.800 0.023 0.000 2.245 110 Q HA 0.314 4.652 4.340 -0.004 0.000 0.201 110 Q C 1.317 177.305 176.000 -0.021 0.000 0.955 110 Q CA 1.369 57.171 55.803 -0.002 0.000 0.870 110 Q CB -0.232 28.485 28.738 -0.035 0.000 0.945 110 Q HN 1.297 nan 8.270 nan 0.000 0.461 111 G N -0.659 108.128 108.800 -0.021 0.000 2.757 111 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.638 111 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.638 111 G C -0.426 174.445 174.900 -0.050 0.000 1.344 111 G CA -0.316 44.781 45.100 -0.006 0.000 0.855 111 G HN 0.524 nan 8.290 nan 0.000 0.537 112 T N -2.187 112.377 114.554 0.017 0.000 2.861 112 T HA 0.706 5.054 4.350 -0.004 0.000 0.287 112 T C -0.127 174.564 174.700 -0.015 0.000 1.003 112 T CA -0.495 61.580 62.100 -0.042 0.000 0.977 112 T CB 2.087 70.998 68.868 0.071 0.000 0.996 112 T HN 0.904 nan 8.240 nan 0.000 0.448 113 R N 3.072 123.470 120.500 -0.171 0.000 2.202 113 R HA 0.519 4.857 4.340 -0.004 0.000 0.334 113 R C 0.605 176.978 176.300 0.120 0.000 1.036 113 R CA -0.780 55.260 56.100 -0.100 0.000 0.878 113 R CB 0.538 30.627 30.300 -0.351 0.000 1.067 113 R HN 0.712 nan 8.270 nan 0.000 0.457 114 L N 2.638 124.004 121.223 0.237 0.000 2.056 114 L HA 0.214 4.552 4.340 -0.004 0.000 0.202 114 L C -0.371 176.676 176.870 0.293 0.000 1.086 114 L CA 1.482 56.498 54.840 0.293 0.000 0.758 114 L CB -0.153 42.135 42.059 0.381 0.000 0.912 114 L HN 0.872 nan 8.230 nan 0.000 0.446 115 T N -0.566 114.152 114.554 0.272 0.000 0.659 115 T HA -0.184 4.164 4.350 -0.004 0.000 0.761 115 T C -0.466 174.344 174.700 0.184 0.000 0.991 115 T CA 0.707 62.951 62.100 0.239 0.000 4.013 115 T CB -1.430 67.607 68.868 0.282 0.000 2.266 115 T HN 0.304 nan 8.240 nan 0.000 0.391 116 V N 4.423 124.444 119.914 0.178 0.000 2.239 116 V HA 0.654 4.772 4.120 -0.004 0.000 0.267 116 V C 0.833 177.019 176.094 0.155 0.000 1.056 116 V CA -0.024 62.362 62.300 0.143 0.000 0.830 116 V CB 0.244 32.143 31.823 0.127 0.000 1.090 116 V HN 1.189 nan 8.190 nan 0.000 0.459 117 V N 4.761 124.777 119.914 0.170 0.000 2.752 117 V HA 0.298 4.416 4.120 -0.004 0.000 0.306 117 V C 1.526 177.703 176.094 0.139 0.000 1.099 117 V CA 1.492 63.916 62.300 0.208 0.000 1.240 117 V CB -0.292 31.665 31.823 0.223 0.000 0.887 117 V HN 1.057 nan 8.190 nan 0.000 0.499 118 E N 2.798 123.071 120.200 0.121 0.000 2.070 118 E HA -0.014 4.334 4.350 -0.004 0.000 0.197 118 E C 0.868 177.504 176.600 0.060 0.000 1.004 118 E CA 2.061 58.505 56.400 0.072 0.000 0.805 118 E CB -0.079 29.645 29.700 0.040 0.000 0.744 118 E HN 1.049 nan 8.360 nan 0.000 0.451 119 D N -5.048 115.391 120.400 0.066 0.000 2.755 119 D HA 0.503 5.141 4.640 -0.004 0.000 0.277 119 D C -0.258 176.088 176.300 0.076 0.000 1.261 119 D CA 0.380 54.415 54.000 0.057 0.000 0.759 119 D CB 0.708 41.524 40.800 0.026 0.000 1.279 119 D HN 0.646 nan 8.370 nan 0.000 0.420 120 L N 1.134 122.406 121.223 0.082 0.000 2.461 120 L HA 0.559 4.897 4.340 -0.004 0.000 0.259 120 L C 1.623 178.545 176.870 0.086 0.000 1.248 120 L CA 1.052 55.975 54.840 0.137 0.000 0.823 120 L CB -0.823 41.346 42.059 0.185 0.000 1.111 120 L HN 0.859 nan 8.230 nan 0.000 0.516 121 K N -1.611 118.874 120.400 0.142 0.000 3.583 121 K HA -0.231 4.087 4.320 -0.004 0.000 0.287 121 K C 0.982 177.550 176.600 -0.053 0.000 1.269 121 K CA 2.207 58.499 56.287 0.008 0.000 0.998 121 K CB -2.099 30.385 32.500 -0.027 0.000 1.284 121 K HN 1.755 nan 8.250 nan 0.000 0.472 122 N N 0.493 119.208 118.700 0.024 0.000 2.392 122 N HA 0.216 4.953 4.740 -0.004 0.000 0.177 122 N C 0.430 176.071 175.510 0.219 0.000 1.066 122 N CA 0.894 53.962 53.050 0.030 0.000 0.895 122 N CB 0.419 38.891 38.487 -0.026 0.000 0.988 122 N HN 0.142 nan 8.380 nan 0.000 0.457 123 V N 0.926 120.924 119.914 0.140 0.000 2.465 123 V HA 0.695 4.812 4.120 -0.004 0.000 0.279 123 V C -0.878 175.148 176.094 -0.112 0.000 1.045 123 V CA -0.494 61.924 62.300 0.197 0.000 0.938 123 V CB 0.089 31.997 31.823 0.141 0.000 0.986 123 V HN 0.381 nan 8.190 nan 0.000 0.467 124 F N 4.210 124.290 119.950 0.217 0.000 2.645 124 F HA 0.653 5.177 4.527 -0.004 0.000 0.310 124 F C -2.698 172.945 175.800 -0.262 0.000 1.102 124 F CA -2.134 55.888 58.000 0.038 0.000 0.952 124 F CB 2.744 41.778 39.000 0.056 0.000 1.326 124 F HN 0.297 nan 8.300 nan 0.000 0.456 125 P HA 0.429 nan 4.420 nan 0.000 0.287 125 P C -2.695 174.373 177.300 -0.387 0.000 1.279 125 P CA -1.652 61.035 63.100 -0.690 0.000 0.867 125 P CB 0.991 32.489 31.700 -0.336 0.000 1.127 126 P HA 0.206 nan 4.420 nan 0.000 0.273 126 P C -0.808 176.376 177.300 -0.193 0.000 1.250 126 P CA 0.049 62.937 63.100 -0.353 0.000 0.793 126 P CB 0.376 31.750 31.700 -0.544 0.000 1.011 127 E N 0.406 120.531 120.200 -0.125 0.000 2.518 127 E HA 0.302 4.650 4.350 -0.004 0.000 0.240 127 E C -1.433 175.130 176.600 -0.061 0.000 0.996 127 E CA -0.518 55.840 56.400 -0.070 0.000 0.768 127 E CB 0.308 29.991 29.700 -0.028 0.000 1.329 127 E HN 0.017 nan 8.360 nan 0.000 0.408 128 V N 2.609 122.475 119.914 -0.080 0.000 2.455 128 V HA 0.684 4.802 4.120 -0.004 0.000 0.273 128 V C 0.275 176.365 176.094 -0.008 0.000 1.045 128 V CA -0.330 61.928 62.300 -0.070 0.000 0.976 128 V CB 0.838 32.593 31.823 -0.113 0.000 0.993 128 V HN 0.688 nan 8.190 nan 0.000 0.475 129 A N 4.826 127.676 122.820 0.050 0.000 2.393 129 A HA 0.855 5.173 4.320 -0.004 0.000 0.306 129 A C -0.779 176.952 177.584 0.246 0.000 1.050 129 A CA -0.531 51.596 52.037 0.150 0.000 0.724 129 A CB 1.848 21.000 19.000 0.252 0.000 1.248 129 A HN 0.572 nan 8.150 nan 0.000 0.424 130 V N 1.069 121.128 119.914 0.242 0.000 2.966 130 V HA 0.702 4.820 4.120 -0.004 0.000 0.317 130 V C -1.021 175.371 176.094 0.497 0.000 1.070 130 V CA -0.317 62.176 62.300 0.322 0.000 1.008 130 V CB 1.587 33.524 31.823 0.191 0.000 1.070 130 V HN 0.726 nan 8.190 nan 0.000 0.457 131 F N -0.008 119.970 119.950 0.048 0.000 2.557 131 F HA 0.584 5.109 4.527 -0.004 0.000 0.316 131 F C 0.355 176.113 175.800 -0.069 0.000 1.141 131 F CA -0.900 57.102 58.000 0.004 0.000 0.922 131 F CB 1.375 40.375 39.000 -0.000 0.000 1.194 131 F HN 0.625 nan 8.300 nan 0.000 0.443 132 E N 3.651 123.847 120.200 -0.006 0.000 2.283 132 E HA 0.489 4.837 4.350 -0.004 0.000 0.278 132 E C -2.588 173.890 176.600 -0.203 0.000 1.027 132 E CA -2.129 54.172 56.400 -0.164 0.000 0.843 132 E CB -0.172 29.519 29.700 -0.014 0.000 1.062 132 E HN 0.394 nan 8.360 nan 0.000 0.401 133 P HA -0.091 nan 4.420 nan 0.000 0.253 133 P C 0.860 178.082 177.300 -0.129 0.000 1.170 133 P CA 0.795 63.685 63.100 -0.350 0.000 0.806 133 P CB 0.342 31.654 31.700 -0.648 0.000 0.775 134 S N 2.701 118.362 115.700 -0.065 0.000 2.476 134 S HA -0.305 4.163 4.470 -0.004 0.000 0.260 134 S C 1.512 176.127 174.600 0.025 0.000 1.009 134 S CA 2.165 60.362 58.200 -0.005 0.000 0.980 134 S CB -1.149 62.048 63.200 -0.004 0.000 0.751 134 S HN 0.701 nan 8.310 nan 0.000 0.511 135 E N -0.696 119.525 120.200 0.035 0.000 4.934 135 E HA -0.334 4.014 4.350 -0.004 0.000 0.166 135 E C 1.790 178.425 176.600 0.059 0.000 1.091 135 E CA 2.334 58.777 56.400 0.071 0.000 2.341 135 E CB -2.427 27.322 29.700 0.082 0.000 1.744 135 E HN 1.797 nan 8.360 nan 0.000 0.492 136 A N 0.679 123.528 122.820 0.048 0.000 1.933 136 A HA -0.004 4.313 4.320 -0.004 0.000 0.218 136 A C 2.290 179.912 177.584 0.063 0.000 1.175 136 A CA 2.579 54.652 52.037 0.060 0.000 0.628 136 A CB -0.416 18.615 19.000 0.051 0.000 0.814 136 A HN 0.903 nan 8.150 nan 0.000 0.444 137 E N -0.066 120.146 120.200 0.020 0.000 2.072 137 E HA -0.156 4.192 4.350 -0.004 0.000 0.191 137 E C 1.813 178.426 176.600 0.022 0.000 0.985 137 E CA 1.217 57.611 56.400 -0.009 0.000 0.801 137 E CB -0.158 29.506 29.700 -0.060 0.000 0.750 137 E HN 0.509 nan 8.360 nan 0.000 0.452 138 I N 1.468 122.059 120.570 0.034 0.000 2.163 138 I HA -0.248 3.920 4.170 -0.004 0.000 0.243 138 I C 2.713 178.875 176.117 0.074 0.000 1.085 138 I CA 1.304 62.641 61.300 0.062 0.000 1.347 138 I CB -1.811 36.251 38.000 0.103 0.000 1.044 138 I HN 0.204 nan 8.210 nan 0.000 0.408 139 S N 0.710 116.458 115.700 0.080 0.000 2.436 139 S HA -0.317 4.150 4.470 -0.004 0.000 0.215 139 S C 2.196 176.860 174.600 0.107 0.000 1.047 139 S CA 1.943 60.190 58.200 0.079 0.000 1.086 139 S CB -0.980 62.264 63.200 0.073 0.000 1.072 139 S HN 0.594 nan 8.310 nan 0.000 0.411 140 H N 0.090 119.165 119.070 0.009 0.000 2.362 140 H HA -0.126 4.427 4.556 -0.004 0.000 0.294 140 H C 2.040 177.368 175.328 0.000 0.000 1.113 140 H CA 2.139 58.189 56.048 0.004 0.000 1.253 140 H CB -0.160 29.602 29.762 -0.000 0.000 1.363 140 H HN 0.689 nan 8.280 nan 0.000 0.494 141 T N -2.937 111.725 114.554 0.179 0.000 2.985 141 T HA 0.157 4.505 4.350 -0.004 0.000 0.254 141 T C 0.416 175.150 174.700 0.056 0.000 1.021 141 T CA 0.404 62.558 62.100 0.090 0.000 0.957 141 T CB 0.487 69.351 68.868 -0.005 0.000 1.047 141 T HN 0.444 nan 8.240 nan 0.000 0.511 145 T N 2.942 117.284 114.554 -0.353 0.000 2.841 145 T HA 0.675 5.023 4.350 -0.004 0.000 0.283 145 T C -0.519 173.952 174.700 -0.382 0.000 1.000 145 T CA -0.349 61.536 62.100 -0.358 0.000 0.977 145 T CB 0.950 69.668 68.868 -0.249 0.000 0.979 145 T HN 0.508 nan 8.240 nan 0.000 0.446 146 L N 2.366 123.349 121.223 -0.400 0.000 2.322 146 L HA 0.832 5.170 4.340 -0.004 0.000 0.269 146 L C -0.429 176.384 176.870 -0.096 0.000 1.012 146 L CA -0.995 53.696 54.840 -0.248 0.000 0.815 146 L CB 1.256 43.181 42.059 -0.225 0.000 1.295 146 L HN 0.322 nan 8.230 nan 0.000 0.438 147 V N 0.320 120.285 119.914 0.085 0.000 2.525 147 V HA 0.398 4.515 4.120 -0.004 0.000 0.299 147 V C -0.492 175.712 176.094 0.184 0.000 1.034 147 V CA -0.613 61.738 62.300 0.085 0.000 0.863 147 V CB 1.776 33.539 31.823 -0.100 0.000 0.999 147 V HN 0.952 nan 8.190 nan 0.000 0.423 148 c N 6.546 125.332 118.600 0.309 0.000 2.351 148 c HA 0.842 5.410 4.570 -0.004 0.000 0.359 148 c C -0.404 173.682 174.090 -0.007 0.000 1.193 148 c CA -0.368 56.040 56.329 0.132 0.000 2.270 148 c CB 0.346 42.788 42.510 -0.114 0.000 2.369 148 c HN 0.863 nan 8.230 nan 0.000 0.553 149 L N 3.661 124.863 121.223 -0.034 0.000 2.455 149 L HA 0.653 4.990 4.340 -0.004 0.000 0.264 149 L C -0.242 176.603 176.870 -0.041 0.000 0.968 149 L CA -0.393 54.417 54.840 -0.050 0.000 0.827 149 L CB 1.682 43.688 42.059 -0.087 0.000 1.317 149 L HN 0.811 nan 8.230 nan 0.000 0.407 150 A N 1.568 124.369 122.820 -0.032 0.000 2.337 150 A HA 0.960 5.277 4.320 -0.004 0.000 0.329 150 A C -0.350 177.276 177.584 0.071 0.000 1.146 150 A CA -0.400 51.593 52.037 -0.073 0.000 0.800 150 A CB 1.530 20.419 19.000 -0.186 0.000 1.220 150 A HN 0.684 nan 8.150 nan 0.000 0.472 151 T N -1.811 112.801 114.554 0.097 0.000 2.864 151 T HA 0.609 4.957 4.350 -0.004 0.000 0.299 151 T C 0.574 175.416 174.700 0.237 0.000 1.166 151 T CA -0.088 62.122 62.100 0.183 0.000 1.007 151 T CB 1.004 69.920 68.868 0.080 0.000 1.219 151 T HN 2.295 nan 8.240 nan 0.000 0.506 152 G N 1.528 110.421 108.800 0.155 0.000 2.385 152 G HA2 -0.069 3.888 3.960 -0.004 0.000 0.284 152 G HA3 -0.069 3.888 3.960 -0.004 0.000 0.284 152 G C -0.240 174.722 174.900 0.103 0.000 0.899 152 G CA 0.860 45.980 45.100 0.033 0.000 1.204 152 G HN 1.325 nan 8.290 nan 0.000 0.486 153 F N -1.027 118.938 119.950 0.026 0.000 2.577 153 F HA 0.880 5.405 4.527 -0.004 0.000 0.318 153 F C -0.725 175.241 175.800 0.277 0.000 1.065 153 F CA -3.468 54.584 58.000 0.086 0.000 0.929 153 F CB 1.471 40.440 39.000 -0.052 0.000 1.237 153 F HN 0.149 nan 8.300 nan 0.000 0.468 154 Y N 3.519 123.923 120.300 0.174 0.000 2.552 154 Y HA 0.516 5.063 4.550 -0.004 0.000 0.337 154 Y C -2.677 173.439 175.900 0.359 0.000 1.094 154 Y CA -1.995 56.184 58.100 0.131 0.000 1.028 154 Y CB 2.581 41.068 38.460 0.046 0.000 1.321 154 Y HN 0.521 nan 8.280 nan 0.000 0.456 155 P HA 0.005 nan 4.420 nan 0.000 0.338 155 P C -0.717 176.584 177.300 0.002 0.000 1.428 155 P CA 0.553 63.049 63.100 -1.007 0.000 0.867 155 P CB 0.702 31.980 31.700 -0.704 0.000 2.125 156 D N -0.680 119.909 120.400 0.314 0.000 2.483 156 D HA 0.164 4.802 4.640 -0.004 0.000 0.281 156 D C -0.988 175.666 176.300 0.589 0.000 1.174 156 D CA -0.293 53.974 54.000 0.444 0.000 0.938 156 D CB -1.031 39.814 40.800 0.075 0.000 1.002 156 D HN 0.161 nan 8.370 nan 0.000 0.501 157 H N 0.972 120.330 119.070 0.481 0.000 2.317 157 H HA 0.339 4.893 4.556 -0.004 0.000 0.231 157 H C -0.162 175.420 175.328 0.423 0.000 1.442 157 H CA -0.567 55.694 56.048 0.356 0.000 1.336 157 H CB 0.445 30.306 29.762 0.166 0.000 1.533 157 H HN 0.124 nan 8.280 nan 0.000 0.522 158 V N -2.693 117.493 119.914 0.454 0.000 3.102 158 V HA 1.023 5.140 4.120 -0.004 0.000 0.312 158 V C -0.429 175.815 176.094 0.249 0.000 1.135 158 V CA -1.002 61.484 62.300 0.310 0.000 1.022 158 V CB 1.826 33.713 31.823 0.106 0.000 1.056 158 V HN 0.461 nan 8.190 nan 0.000 0.436 159 E N 2.240 122.548 120.200 0.181 0.000 2.343 159 E HA 0.647 4.994 4.350 -0.004 0.000 0.260 159 E C -1.289 175.355 176.600 0.073 0.000 0.908 159 E CA -0.269 56.229 56.400 0.163 0.000 0.814 159 E CB 1.638 31.482 29.700 0.239 0.000 1.302 159 E HN 1.434 nan 8.360 nan 0.000 0.408 160 L N 2.680 123.929 121.223 0.044 0.000 2.277 160 L HA 0.691 5.028 4.340 -0.004 0.000 0.284 160 L C 0.029 176.894 176.870 -0.008 0.000 1.028 160 L CA -0.322 54.499 54.840 -0.032 0.000 0.835 160 L CB 1.071 43.086 42.059 -0.074 0.000 1.215 160 L HN 0.612 nan 8.230 nan 0.000 0.425 161 S N 2.314 118.017 115.700 0.004 0.000 2.704 161 S HA 0.646 5.113 4.470 -0.004 0.000 0.305 161 S C -1.310 173.272 174.600 -0.029 0.000 1.107 161 S CA -0.763 57.468 58.200 0.053 0.000 0.993 161 S CB 1.137 64.420 63.200 0.138 0.000 1.110 161 S HN 0.553 nan 8.310 nan 0.000 0.534 162 W N 0.323 121.590 121.300 -0.055 0.000 2.475 162 W HA 0.594 5.252 4.660 -0.004 0.000 0.317 162 W C -1.567 174.857 176.519 -0.159 0.000 1.046 162 W CA -0.362 56.982 57.345 -0.003 0.000 1.215 162 W CB 1.093 30.537 29.460 -0.027 0.000 1.335 162 W HN 0.647 nan 8.180 nan 0.000 0.471 163 W N 3.798 125.189 121.300 0.151 0.000 2.362 163 W HA 0.597 5.255 4.660 -0.004 0.000 0.316 163 W C -1.007 175.544 176.519 0.054 0.000 1.024 163 W CA -0.927 56.455 57.345 0.061 0.000 1.270 163 W CB 1.090 30.543 29.460 -0.011 0.000 1.273 163 W HN -0.152 nan 8.180 nan 0.000 0.424 164 V N 4.848 124.856 119.914 0.157 0.000 2.435 164 V HA 0.207 4.324 4.120 -0.004 0.000 0.290 164 V C 0.321 176.384 176.094 -0.052 0.000 1.030 164 V CA -1.067 61.234 62.300 0.001 0.000 0.881 164 V CB 1.421 33.257 31.823 0.021 0.000 0.983 164 V HN 0.691 nan 8.190 nan 0.000 0.445 165 N N 3.630 122.223 118.700 -0.178 0.000 2.686 165 N HA -0.235 4.502 4.740 -0.004 0.000 0.249 165 N C 1.037 176.549 175.510 0.003 0.000 1.082 165 N CA 1.460 54.437 53.050 -0.123 0.000 0.725 165 N CB -1.046 37.379 38.487 -0.104 0.000 1.009 165 N HN 1.588 nan 8.380 nan 0.000 0.545 166 G N -2.977 105.875 108.800 0.088 0.000 2.165 166 G HA2 0.008 3.966 3.960 -0.004 0.000 0.226 166 G HA3 0.008 3.966 3.960 -0.004 0.000 0.226 166 G C -0.034 175.063 174.900 0.329 0.000 1.035 166 G CA 0.913 46.145 45.100 0.220 0.000 0.744 166 G HN 1.006 nan 8.290 nan 0.000 0.501 167 K N -0.993 119.546 120.400 0.232 0.000 2.427 167 K HA 0.993 5.310 4.320 -0.004 0.000 0.252 167 K C -0.195 176.183 176.600 -0.371 0.000 0.931 167 K CA 0.573 56.854 56.287 -0.010 0.000 0.793 167 K CB 1.096 33.576 32.500 -0.034 0.000 1.211 167 K HN 1.774 nan 8.250 nan 0.000 0.426 168 E N 1.135 120.798 120.200 -0.896 0.000 2.104 168 E HA 0.547 4.894 4.350 -0.004 0.000 0.278 168 E C 0.552 176.722 176.600 -0.717 0.000 1.127 168 E CA 0.074 55.706 56.400 -1.281 0.000 0.897 168 E CB -0.190 28.703 29.700 -1.344 0.000 1.043 168 E HN 1.691 nan 8.360 nan 0.000 0.410 169 V N 1.675 121.288 119.914 -0.502 0.000 3.546 169 V HA 0.506 4.624 4.120 -0.004 0.000 0.296 169 V C 0.971 176.728 176.094 -0.562 0.000 1.082 169 V CA 0.694 62.803 62.300 -0.318 0.000 1.086 169 V CB 0.619 32.399 31.823 -0.072 0.000 1.174 169 V HN 1.038 nan 8.190 nan 0.000 0.464 170 H N -1.014 118.023 119.070 -0.055 0.000 2.957 170 H HA 0.089 4.643 4.556 -0.004 0.000 0.122 170 H C 0.871 176.161 175.328 -0.065 0.000 1.223 170 H CA 0.481 56.501 56.048 -0.047 0.000 1.153 170 H CB -0.186 29.547 29.762 -0.048 0.000 0.756 170 H HN 0.601 nan 8.280 nan 0.000 0.228 171 S N 1.066 116.822 115.700 0.094 0.000 2.629 171 S HA 0.308 4.775 4.470 -0.004 0.000 0.302 171 S C 1.282 175.848 174.600 -0.057 0.000 1.244 171 S CA 1.112 59.317 58.200 0.009 0.000 1.098 171 S CB 0.163 63.369 63.200 0.010 0.000 0.858 171 S HN 0.903 nan 8.310 nan 0.000 0.502 172 G N 1.967 110.707 108.800 -0.099 0.000 2.211 172 G HA2 -0.212 3.745 3.960 -0.004 0.000 0.201 172 G HA3 -0.212 3.745 3.960 -0.004 0.000 0.201 172 G C 0.064 174.791 174.900 -0.288 0.000 0.997 172 G CA -0.235 44.751 45.100 -0.190 0.000 0.652 172 G HN 0.683 nan 8.290 nan 0.000 0.500 173 V N 1.155 120.944 119.914 -0.208 0.000 2.785 173 V HA 0.764 4.881 4.120 -0.004 0.000 0.300 173 V C 0.669 176.702 176.094 -0.102 0.000 1.062 173 V CA 0.570 62.746 62.300 -0.205 0.000 1.029 173 V CB 1.637 33.442 31.823 -0.029 0.000 1.024 173 V HN 1.504 nan 8.190 nan 0.000 0.477 174 S N 1.902 117.571 115.700 -0.051 0.000 2.428 174 S HA 0.356 4.824 4.470 -0.004 0.000 0.269 174 S C -0.846 173.785 174.600 0.051 0.000 1.026 174 S CA -0.603 57.592 58.200 -0.010 0.000 1.019 174 S CB 1.086 64.253 63.200 -0.055 0.000 1.191 174 S HN 0.743 nan 8.310 nan 0.000 0.429 175 T N 3.187 117.787 114.554 0.078 0.000 2.841 175 T HA 0.477 4.825 4.350 -0.004 0.000 0.283 175 T C -0.913 173.823 174.700 0.061 0.000 1.000 175 T CA -0.845 61.313 62.100 0.096 0.000 0.977 175 T CB 1.067 70.013 68.868 0.131 0.000 0.979 175 T HN 0.669 nan 8.240 nan 0.000 0.446 176 D N 3.805 124.236 120.400 0.052 0.000 2.648 176 D HA -0.004 4.634 4.640 -0.004 0.000 0.229 176 D C -1.463 174.860 176.300 0.038 0.000 1.119 176 D CA -0.721 53.301 54.000 0.037 0.000 0.850 176 D CB 0.799 41.622 40.800 0.038 0.000 1.169 176 D HN 0.262 nan 8.370 nan 0.000 0.489 177 P HA -0.049 nan 4.420 nan 0.000 0.221 177 P C 0.350 177.660 177.300 0.016 0.000 1.150 177 P CA 1.432 64.545 63.100 0.022 0.000 0.800 177 P CB 0.351 32.057 31.700 0.011 0.000 0.787 178 Q N -0.393 119.412 119.800 0.009 0.000 2.413 178 Q HA 0.601 4.939 4.340 -0.004 0.000 0.276 178 Q C -2.931 173.068 176.000 -0.003 0.000 1.099 178 Q CA -1.941 53.855 55.803 -0.012 0.000 0.814 178 Q CB 0.250 28.976 28.738 -0.021 0.000 1.379 178 Q HN -0.041 nan 8.270 nan 0.000 0.436 179 P HA 0.698 nan 4.420 nan 0.000 0.284 179 P C -1.087 176.235 177.300 0.036 0.000 1.292 179 P CA -0.720 62.386 63.100 0.010 0.000 0.800 179 P CB 0.587 32.247 31.700 -0.067 0.000 1.188 180 L N -3.810 117.490 121.223 0.129 0.000 2.406 180 L HA 0.785 5.122 4.340 -0.004 0.000 0.270 180 L C 0.063 177.070 176.870 0.228 0.000 0.982 180 L CA -1.290 53.639 54.840 0.148 0.000 0.843 180 L CB -0.010 42.104 42.059 0.091 0.000 1.225 180 L HN 0.188 nan 8.230 nan 0.000 0.412 181 K N 1.523 122.104 120.400 0.302 0.000 2.485 181 K HA 0.163 4.481 4.320 -0.004 0.000 0.277 181 K C 0.685 177.325 176.600 0.067 0.000 0.990 181 K CA 0.810 57.208 56.287 0.185 0.000 0.994 181 K CB -0.178 32.399 32.500 0.128 0.000 0.906 181 K HN 0.870 nan 8.250 nan 0.000 0.488 182 E N 0.474 120.674 120.200 -0.001 0.000 2.208 182 E HA -0.124 4.223 4.350 -0.004 0.000 0.193 182 E C -0.050 176.542 176.600 -0.013 0.000 0.988 182 E CA 1.047 57.443 56.400 -0.007 0.000 0.828 182 E CB 0.195 29.874 29.700 -0.034 0.000 0.763 182 E HN 0.746 nan 8.360 nan 0.000 0.478 183 Q N -0.401 119.383 119.800 -0.027 0.000 3.429 183 Q HA 0.182 4.520 4.340 -0.004 0.000 0.237 183 Q C -2.422 173.571 176.000 -0.012 0.000 0.932 183 Q CA -1.443 54.347 55.803 -0.021 0.000 0.731 183 Q CB 1.333 30.049 28.738 -0.037 0.000 1.383 183 Q HN -0.064 nan 8.270 nan 0.000 0.446 184 P HA -0.299 nan 4.420 nan 0.000 0.219 184 P C 1.109 178.423 177.300 0.023 0.000 1.147 184 P CA 1.934 65.053 63.100 0.033 0.000 0.821 184 P CB 0.300 32.024 31.700 0.041 0.000 0.771 185 A N -0.996 121.829 122.820 0.009 0.000 1.929 185 A HA 0.129 4.447 4.320 -0.004 0.000 0.216 185 A C 1.473 179.056 177.584 -0.001 0.000 1.176 185 A CA 1.115 53.156 52.037 0.007 0.000 0.628 185 A CB -1.476 17.526 19.000 0.002 0.000 0.816 185 A HN 0.235 nan 8.150 nan 0.000 0.444 186 L N 1.044 122.256 121.223 -0.017 0.000 2.410 186 L HA 0.268 4.606 4.340 -0.004 0.000 0.273 186 L C 1.465 178.315 176.870 -0.033 0.000 1.144 186 L CA 0.359 55.178 54.840 -0.034 0.000 0.863 186 L CB -0.984 41.038 42.059 -0.061 0.000 1.140 186 L HN 0.573 nan 8.230 nan 0.000 0.463 187 N N 2.511 121.199 118.700 -0.019 0.000 2.020 187 N HA -0.173 4.565 4.740 -0.004 0.000 0.200 187 N C 0.753 176.252 175.510 -0.019 0.000 1.054 187 N CA 2.207 55.260 53.050 0.005 0.000 0.874 187 N CB 0.029 38.525 38.487 0.016 0.000 1.075 187 N HN 0.948 nan 8.380 nan 0.000 0.446 188 D N 0.563 120.897 120.400 -0.110 0.000 2.500 188 D HA 0.415 5.053 4.640 -0.004 0.000 0.219 188 D C -0.014 175.965 176.300 -0.535 0.000 1.137 188 D CA -0.197 53.606 54.000 -0.328 0.000 0.946 188 D CB 0.257 40.804 40.800 -0.421 0.000 1.022 188 D HN 0.461 nan 8.370 nan 0.000 0.518 189 S N 1.243 116.691 115.700 -0.421 0.000 2.747 189 S HA 0.661 5.128 4.470 -0.004 0.000 0.300 189 S C 0.088 174.393 174.600 -0.493 0.000 1.121 189 S CA -0.734 57.237 58.200 -0.382 0.000 0.995 189 S CB 1.144 64.204 63.200 -0.232 0.000 1.113 189 S HN 0.495 nan 8.310 nan 0.000 0.547 190 R N 1.065 121.358 120.500 -0.344 0.000 2.357 190 R HA 0.324 4.661 4.340 -0.004 0.000 0.296 190 R C -1.093 174.976 176.300 -0.386 0.000 1.052 190 R CA -0.230 55.681 56.100 -0.315 0.000 0.988 190 R CB 0.422 30.622 30.300 -0.166 0.000 1.025 190 R HN 0.582 nan 8.270 nan 0.000 0.469 191 Y N -0.031 120.091 120.300 -0.296 0.000 2.354 191 Y HA 0.222 4.770 4.550 -0.004 0.000 0.322 191 Y C 0.591 176.470 175.900 -0.035 0.000 1.253 191 Y CA -0.426 57.501 58.100 -0.288 0.000 1.272 191 Y CB 1.516 39.658 38.460 -0.531 0.000 1.255 191 Y HN 0.454 nan 8.280 nan 0.000 0.500 192 S N 1.281 117.167 115.700 0.310 0.000 2.500 192 S HA 0.754 5.222 4.470 -0.004 0.000 0.301 192 S C -1.288 173.485 174.600 0.288 0.000 1.092 192 S CA -0.767 57.604 58.200 0.285 0.000 1.030 192 S CB 1.758 65.052 63.200 0.156 0.000 1.031 192 S HN 0.451 nan 8.310 nan 0.000 0.483 193 L N 2.696 124.071 121.223 0.253 0.000 2.445 193 L HA 0.940 5.277 4.340 -0.004 0.000 0.262 193 L C -0.727 176.187 176.870 0.074 0.000 0.974 193 L CA -0.327 54.614 54.840 0.168 0.000 0.822 193 L CB 1.484 43.666 42.059 0.204 0.000 1.339 193 L HN 1.122 nan 8.230 nan 0.000 0.409 194 S N 1.455 117.186 115.700 0.052 0.000 2.570 194 S HA 0.931 5.398 4.470 -0.004 0.000 0.286 194 S C -0.655 173.986 174.600 0.069 0.000 1.099 194 S CA -0.096 58.117 58.200 0.022 0.000 0.913 194 S CB 1.917 65.105 63.200 -0.020 0.000 1.085 194 S HN 1.803 nan 8.310 nan 0.000 0.480 195 S N 0.929 116.704 115.700 0.124 0.000 2.543 195 S HA 0.705 5.173 4.470 -0.004 0.000 0.273 195 S C -1.467 173.317 174.600 0.307 0.000 1.152 195 S CA -0.859 57.485 58.200 0.239 0.000 0.910 195 S CB 1.281 64.722 63.200 0.402 0.000 1.105 195 S HN 0.865 nan 8.310 nan 0.000 0.465 196 R N 1.295 121.846 120.500 0.086 0.000 2.787 196 R HA 0.831 5.169 4.340 -0.004 0.000 0.271 196 R C -1.215 174.767 176.300 -0.529 0.000 0.993 196 R CA -0.796 55.221 56.100 -0.138 0.000 0.993 196 R CB 1.487 31.703 30.300 -0.141 0.000 1.155 196 R HN 0.578 nan 8.270 nan 0.000 0.486 197 L N -0.082 120.681 121.223 -0.767 0.000 2.386 197 L HA 0.825 5.163 4.340 -0.004 0.000 0.271 197 L C -1.056 175.483 176.870 -0.551 0.000 0.993 197 L CA -0.403 53.891 54.840 -0.910 0.000 0.819 197 L CB 1.863 43.045 42.059 -1.461 0.000 1.294 197 L HN 0.721 nan 8.230 nan 0.000 0.414 198 R N 4.341 124.599 120.500 -0.404 0.000 2.451 198 R HA 0.818 5.156 4.340 -0.004 0.000 0.307 198 R C -1.136 175.038 176.300 -0.211 0.000 0.965 198 R CA 0.008 55.937 56.100 -0.285 0.000 0.865 198 R CB 0.628 30.804 30.300 -0.206 0.000 1.174 198 R HN 1.078 nan 8.270 nan 0.000 0.455 199 V N -0.901 118.897 119.914 -0.193 0.000 3.166 199 V HA 0.852 4.969 4.120 -0.004 0.000 0.317 199 V C 0.501 176.579 176.094 -0.026 0.000 1.136 199 V CA -0.492 61.762 62.300 -0.078 0.000 1.035 199 V CB 2.134 33.941 31.823 -0.027 0.000 1.110 199 V HN 1.092 nan 8.190 nan 0.000 0.450 200 S N 0.711 116.431 115.700 0.033 0.000 2.499 200 S HA 0.558 5.026 4.470 -0.004 0.000 0.275 200 S C 1.326 175.984 174.600 0.098 0.000 1.257 200 S CA 0.020 58.248 58.200 0.048 0.000 1.050 200 S CB 0.940 64.169 63.200 0.049 0.000 0.937 200 S HN 1.902 nan 8.310 nan 0.000 0.490 201 A N 4.171 127.049 122.820 0.097 0.000 1.954 201 A HA -0.202 4.115 4.320 -0.004 0.000 0.222 201 A C 2.280 179.961 177.584 0.162 0.000 1.199 201 A CA 2.703 54.835 52.037 0.159 0.000 0.657 201 A CB -2.168 16.905 19.000 0.122 0.000 0.823 201 A HN 0.923 nan 8.150 nan 0.000 0.463 202 T N -1.389 113.232 114.554 0.110 0.000 2.685 202 T HA -0.201 4.146 4.350 -0.004 0.000 0.268 202 T C 1.747 176.513 174.700 0.111 0.000 1.034 202 T CA 2.554 64.709 62.100 0.091 0.000 1.149 202 T CB -0.920 67.990 68.868 0.069 0.000 0.860 202 T HN 0.749 nan 8.240 nan 0.000 0.449 203 F N 0.471 120.515 119.950 0.157 0.000 2.094 203 F HA 0.138 4.663 4.527 -0.004 0.000 0.291 203 F C 2.538 178.518 175.800 0.301 0.000 1.109 203 F CA 1.165 59.291 58.000 0.211 0.000 1.221 203 F CB -1.353 37.799 39.000 0.253 0.000 1.014 203 F HN 0.493 nan 8.300 nan 0.000 0.473 204 W N 1.456 122.867 121.300 0.184 0.000 2.364 204 W HA -0.131 4.527 4.660 -0.004 0.000 0.281 204 W C 0.570 177.188 176.519 0.165 0.000 1.219 204 W CA 1.614 59.079 57.345 0.200 0.000 1.220 204 W CB -0.359 29.105 29.460 0.006 0.000 1.127 204 W HN 0.435 nan 8.180 nan 0.000 0.556 205 Q N 1.441 121.233 119.800 -0.013 0.000 2.938 205 Q HA 0.019 4.357 4.340 -0.004 0.000 0.343 205 Q C -0.532 175.417 176.000 -0.085 0.000 1.185 205 Q CA 0.012 55.739 55.803 -0.126 0.000 0.939 205 Q CB -0.527 28.224 28.738 0.022 0.000 1.480 205 Q HN 0.014 nan 8.270 nan 0.000 0.442 206 N N 0.414 119.044 118.700 -0.116 0.000 2.581 206 N HA 0.187 4.925 4.740 -0.004 0.000 0.279 206 N C -2.500 172.970 175.510 -0.067 0.000 1.124 206 N CA -1.964 51.058 53.050 -0.047 0.000 0.833 206 N CB 1.753 40.251 38.487 0.019 0.000 1.338 206 N HN -0.131 nan 8.380 nan 0.000 0.533 207 P HA -0.231 nan 4.420 nan 0.000 0.218 207 P C 1.225 178.581 177.300 0.094 0.000 1.152 207 P CA 2.226 65.305 63.100 -0.035 0.000 0.857 207 P CB 0.334 32.007 31.700 -0.046 0.000 0.787 208 R N 0.339 120.893 120.500 0.091 0.000 0.636 208 R HA -0.055 4.282 4.340 -0.004 0.000 0.050 208 R C 0.861 177.286 176.300 0.209 0.000 0.437 208 R CA 0.975 57.187 56.100 0.186 0.000 2.156 208 R CB -2.295 28.061 30.300 0.094 0.000 0.476 208 R HN 0.221 nan 8.270 nan 0.000 0.806 209 N N 0.696 119.408 118.700 0.021 0.000 2.694 209 N HA -0.149 4.589 4.740 -0.004 0.000 0.309 209 N C -0.280 174.886 175.510 -0.573 0.000 1.226 209 N CA 1.555 54.449 53.050 -0.261 0.000 0.696 209 N CB -1.436 36.910 38.487 -0.235 0.000 1.035 209 N HN 1.092 nan 8.380 nan 0.000 0.542 210 H N 1.486 120.031 119.070 -0.874 0.000 2.467 210 H HA 0.644 5.198 4.556 -0.004 0.000 0.326 210 H C -0.267 174.510 175.328 -0.918 0.000 1.094 210 H CA -0.777 54.505 56.048 -1.277 0.000 1.253 210 H CB 0.643 29.104 29.762 -2.168 0.000 1.439 210 H HN 0.416 nan 8.280 nan 0.000 0.479 211 F N 2.702 122.522 119.950 -0.217 0.000 2.388 211 F HA 0.409 4.934 4.527 -0.004 0.000 0.358 211 F C 0.752 176.581 175.800 0.048 0.000 1.122 211 F CA -0.575 57.446 58.000 0.035 0.000 1.056 211 F CB 1.511 40.628 39.000 0.194 0.000 1.155 211 F HN 0.640 nan 8.300 nan 0.000 0.461 212 R N 3.593 124.227 120.500 0.224 0.000 2.360 212 R HA 0.491 4.828 4.340 -0.004 0.000 0.318 212 R C -1.464 174.882 176.300 0.076 0.000 0.950 212 R CA -0.456 55.714 56.100 0.117 0.000 0.837 212 R CB 1.250 31.577 30.300 0.045 0.000 1.165 212 R HN 0.838 nan 8.270 nan 0.000 0.458 213 c N 4.763 123.263 118.600 -0.167 0.000 2.246 213 c HA 0.589 5.157 4.570 -0.004 0.000 0.329 213 c C 0.453 174.347 174.090 -0.326 0.000 1.221 213 c CA -0.050 55.940 56.329 -0.566 0.000 1.697 213 c CB 0.231 42.155 42.510 -0.977 0.000 2.312 213 c HN 0.962 nan 8.230 nan 0.000 0.509 214 Q N 3.167 122.834 119.800 -0.221 0.000 2.180 214 Q HA 0.772 5.109 4.340 -0.004 0.000 0.241 214 Q C -0.981 174.919 176.000 -0.166 0.000 0.970 214 Q CA -0.479 55.234 55.803 -0.149 0.000 0.919 214 Q CB 1.447 30.146 28.738 -0.065 0.000 1.222 214 Q HN 1.010 nan 8.270 nan 0.000 0.482 215 V N 1.330 121.159 119.914 -0.142 0.000 2.674 215 V HA 0.241 4.359 4.120 -0.004 0.000 0.279 215 V C -1.145 174.872 176.094 -0.128 0.000 1.051 215 V CA -0.650 61.563 62.300 -0.145 0.000 0.912 215 V CB 1.621 33.321 31.823 -0.206 0.000 1.044 215 V HN 0.937 nan 8.190 nan 0.000 0.464 216 Q N 4.029 123.773 119.800 -0.094 0.000 2.337 216 Q HA 0.485 4.823 4.340 -0.004 0.000 0.255 216 Q C -1.138 174.708 176.000 -0.258 0.000 0.997 216 Q CA -0.015 55.677 55.803 -0.186 0.000 0.925 216 Q CB 0.898 29.551 28.738 -0.141 0.000 1.212 216 Q HN 0.536 nan 8.270 nan 0.000 0.436 217 F N 4.233 123.888 119.950 -0.490 0.000 2.403 217 F HA 0.552 5.076 4.527 -0.004 0.000 0.326 217 F C -1.319 174.034 175.800 -0.745 0.000 1.081 217 F CA -0.951 56.801 58.000 -0.413 0.000 1.041 217 F CB 0.852 39.716 39.000 -0.226 0.000 1.234 217 F HN 0.534 nan 8.300 nan 0.000 0.503 218 Y N 2.365 122.088 120.300 -0.963 0.000 2.354 218 Y HA 0.639 5.187 4.550 -0.004 0.000 0.330 218 Y C 0.291 175.465 175.900 -1.210 0.000 1.011 218 Y CA -0.567 57.035 58.100 -0.830 0.000 1.099 218 Y CB 1.745 39.851 38.460 -0.591 0.000 1.179 218 Y HN 0.830 nan 8.280 nan 0.000 0.442 219 G N 1.148 109.505 108.800 -0.737 0.000 2.570 219 G HA2 0.420 4.378 3.960 -0.004 0.000 0.310 219 G HA3 0.420 4.378 3.960 -0.004 0.000 0.310 219 G C -1.388 173.364 174.900 -0.246 0.000 1.266 219 G CA -1.293 43.477 45.100 -0.549 0.000 0.825 219 G HN 0.564 nan 8.290 nan 0.000 0.483 220 L N 1.430 122.558 121.223 -0.159 0.000 2.837 220 L HA 0.068 4.406 4.340 -0.004 0.000 0.300 220 L C 1.350 178.166 176.870 -0.090 0.000 1.211 220 L CA 0.444 55.225 54.840 -0.099 0.000 0.890 220 L CB -0.361 41.622 42.059 -0.127 0.000 1.200 220 L HN 0.688 nan 8.230 nan 0.000 0.492 221 S N 1.591 117.263 115.700 -0.048 0.000 2.745 221 S HA 0.198 4.666 4.470 -0.004 0.000 0.292 221 S C 0.895 175.483 174.600 -0.019 0.000 1.127 221 S CA -0.354 57.825 58.200 -0.035 0.000 1.007 221 S CB 1.624 64.816 63.200 -0.015 0.000 1.165 221 S HN 0.731 nan 8.310 nan 0.000 0.544 222 E N 0.754 120.946 120.200 -0.013 0.000 2.130 222 E HA -0.298 4.050 4.350 -0.004 0.000 0.196 222 E C 1.415 178.022 176.600 0.011 0.000 0.998 222 E CA 1.805 58.204 56.400 -0.002 0.000 0.806 222 E CB -0.425 29.274 29.700 -0.002 0.000 0.738 222 E HN 0.793 nan 8.360 nan 0.000 0.459 223 N N 0.450 119.156 118.700 0.011 0.000 2.434 223 N HA -0.054 4.684 4.740 -0.004 0.000 0.196 223 N C -0.964 174.562 175.510 0.027 0.000 1.183 223 N CA 0.239 53.299 53.050 0.016 0.000 0.849 223 N CB 0.366 38.859 38.487 0.009 0.000 0.992 223 N HN -0.029 nan 8.380 nan 0.000 0.460 224 D N 1.094 121.517 120.400 0.038 0.000 2.349 224 D HA 0.080 4.717 4.640 -0.004 0.000 0.232 224 D C -0.600 175.767 176.300 0.111 0.000 1.071 224 D CA -0.296 53.742 54.000 0.062 0.000 0.832 224 D CB 1.047 41.881 40.800 0.055 0.000 1.086 224 D HN 0.307 nan 8.370 nan 0.000 0.504 225 E N 1.804 122.066 120.200 0.103 0.000 2.729 225 E HA -0.078 4.270 4.350 -0.004 0.000 0.246 225 E C -0.512 176.214 176.600 0.210 0.000 0.984 225 E CA 0.461 56.930 56.400 0.115 0.000 0.951 225 E CB 0.894 30.629 29.700 0.057 0.000 0.914 225 E HN 0.402 nan 8.360 nan 0.000 0.509 226 W N 4.068 125.361 121.300 -0.012 0.000 2.619 226 W HA 0.231 4.889 4.660 -0.004 0.000 0.327 226 W C -1.087 175.423 176.519 -0.014 0.000 1.027 226 W CA -0.698 56.637 57.345 -0.016 0.000 1.233 226 W CB 1.766 31.217 29.460 -0.015 0.000 1.370 226 W HN 0.399 nan 8.180 nan 0.000 0.453 227 T N 3.335 117.443 114.554 -0.742 0.000 3.089 227 T HA 0.472 4.820 4.350 -0.004 0.000 0.340 227 T C -0.652 173.547 174.700 -0.836 0.000 1.008 227 T CA -0.527 61.229 62.100 -0.574 0.000 1.096 227 T CB 1.651 70.341 68.868 -0.298 0.000 1.024 227 T HN 0.436 nan 8.240 nan 0.000 0.477 228 Q N 1.326 120.664 119.800 -0.769 0.000 2.782 228 Q HA 0.342 4.679 4.340 -0.004 0.000 0.308 228 Q C -0.353 175.607 176.000 -0.067 0.000 0.883 228 Q CA -0.677 54.846 55.803 -0.466 0.000 0.755 228 Q CB 1.374 29.712 28.738 -0.666 0.000 1.454 228 Q HN 0.452 nan 8.270 nan 0.000 0.452 229 D N 0.461 120.891 120.400 0.051 0.000 2.197 229 D HA 0.006 4.644 4.640 -0.004 0.000 0.212 229 D C 0.320 176.745 176.300 0.208 0.000 0.963 229 D CA 0.584 54.651 54.000 0.111 0.000 0.864 229 D CB 0.471 41.316 40.800 0.074 0.000 1.009 229 D HN 0.381 nan 8.370 nan 0.000 0.479 230 R N 1.342 122.001 120.500 0.265 0.000 2.640 230 R HA 0.338 4.676 4.340 -0.004 0.000 0.270 230 R C 0.315 176.784 176.300 0.282 0.000 1.024 230 R CA -0.273 55.990 56.100 0.272 0.000 1.085 230 R CB 0.309 30.797 30.300 0.315 0.000 0.963 230 R HN -0.160 nan 8.270 nan 0.000 0.426 231 A N 1.863 124.758 122.820 0.125 0.000 2.614 231 A HA 0.215 4.533 4.320 -0.004 0.000 0.231 231 A C 0.510 177.954 177.584 -0.232 0.000 1.076 231 A CA 0.650 52.690 52.037 0.005 0.000 0.767 231 A CB -0.200 18.791 19.000 -0.014 0.000 1.012 231 A HN 0.922 nan 8.150 nan 0.000 0.512 232 K N 2.338 122.518 120.400 -0.367 0.000 2.338 232 K HA 0.474 4.792 4.320 -0.004 0.000 0.290 232 K C -2.509 173.785 176.600 -0.510 0.000 1.069 232 K CA -1.374 54.461 56.287 -0.754 0.000 0.941 232 K CB -0.649 31.564 32.500 -0.478 0.000 1.023 232 K HN 0.564 nan 8.250 nan 0.000 0.477 233 P HA -0.002 nan 4.420 nan 0.000 0.240 233 P C -0.222 177.048 177.300 -0.050 0.000 1.594 233 P CA -0.023 62.960 63.100 -0.195 0.000 1.184 233 P CB -0.542 30.999 31.700 -0.265 0.000 1.915 234 V N -1.103 118.794 119.914 -0.027 0.000 3.177 234 V HA 0.486 4.604 4.120 -0.004 0.000 0.319 234 V C 0.542 176.598 176.094 -0.063 0.000 1.125 234 V CA -0.846 61.407 62.300 -0.078 0.000 1.029 234 V CB 0.956 32.720 31.823 -0.098 0.000 1.119 234 V HN -0.042 nan 8.190 nan 0.000 0.452 235 T N 3.615 118.066 114.554 -0.171 0.000 2.761 235 T HA 0.239 4.586 4.350 -0.004 0.000 0.262 235 T C 0.026 174.642 174.700 -0.140 0.000 0.968 235 T CA 0.511 62.466 62.100 -0.242 0.000 1.235 235 T CB -1.066 67.681 68.868 -0.202 0.000 0.925 235 T HN 0.910 nan 8.240 nan 0.000 0.545 236 Q N 2.784 122.544 119.800 -0.067 0.000 2.528 236 Q HA 0.693 5.031 4.340 -0.004 0.000 0.289 236 Q C -1.149 174.803 176.000 -0.080 0.000 1.091 236 Q CA -1.209 54.564 55.803 -0.049 0.000 0.797 236 Q CB 1.817 30.558 28.738 0.006 0.000 1.466 236 Q HN 0.426 nan 8.270 nan 0.000 0.436 237 I N 2.049 122.562 120.570 -0.096 0.000 2.464 237 I HA 0.293 4.460 4.170 -0.004 0.000 0.277 237 I C -0.649 175.401 176.117 -0.112 0.000 1.040 237 I CA -0.930 60.298 61.300 -0.119 0.000 1.153 237 I CB 1.625 39.542 38.000 -0.138 0.000 1.274 237 I HN 0.410 nan 8.210 nan 0.000 0.469 238 V N 4.875 124.717 119.914 -0.120 0.000 2.953 238 V HA 0.651 4.769 4.120 -0.004 0.000 0.304 238 V C 0.477 176.495 176.094 -0.126 0.000 1.073 238 V CA -0.060 62.169 62.300 -0.119 0.000 1.064 238 V CB 1.568 33.306 31.823 -0.142 0.000 1.047 238 V HN 0.933 nan 8.190 nan 0.000 0.478 239 S N 0.583 116.219 115.700 -0.107 0.000 2.671 239 S HA 0.918 5.386 4.470 -0.004 0.000 0.270 239 S C -0.806 173.749 174.600 -0.076 0.000 1.166 239 S CA -0.093 58.040 58.200 -0.112 0.000 0.868 239 S CB 1.500 64.626 63.200 -0.124 0.000 1.190 239 S HN 2.147 nan 8.310 nan 0.000 0.494 240 A N -0.010 122.767 122.820 -0.072 0.000 2.483 240 A HA 0.888 5.205 4.320 -0.004 0.000 0.294 240 A C -1.108 176.475 177.584 -0.001 0.000 1.077 240 A CA -0.060 51.965 52.037 -0.020 0.000 0.633 240 A CB 0.653 19.651 19.000 -0.003 0.000 1.318 240 A HN 1.628 nan 8.150 nan 0.000 0.455 241 E N -1.274 118.962 120.200 0.061 0.000 2.221 241 E HA 0.788 5.135 4.350 -0.004 0.000 0.242 241 E C -0.659 176.042 176.600 0.169 0.000 1.218 241 E CA -0.618 55.834 56.400 0.087 0.000 0.912 241 E CB 1.146 30.858 29.700 0.020 0.000 1.771 241 E HN 2.451 nan 8.360 nan 0.000 0.490 242 A N -0.626 122.280 122.820 0.142 0.000 2.571 242 A HA 0.507 4.825 4.320 -0.004 0.000 0.296 242 A C -2.432 175.253 177.584 0.168 0.000 1.005 242 A CA -0.851 51.374 52.037 0.314 0.000 0.682 242 A CB 0.258 19.544 19.000 0.477 0.000 1.292 242 A HN 0.504 nan 8.150 nan 0.000 0.420 243 W N 0.719 122.199 121.300 0.300 0.000 2.719 243 W HA 0.641 5.299 4.660 -0.004 0.000 0.352 243 W C 0.880 177.346 176.519 -0.088 0.000 1.085 243 W CA 0.318 57.740 57.345 0.127 0.000 1.187 243 W CB 1.440 30.910 29.460 0.015 0.000 1.417 243 W HN 1.199 nan 8.180 nan 0.000 0.557 244 G N 0.000 108.785 108.800 -0.026 0.000 5.446 244 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 244 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 244 G CA 0.000 44.717 45.100 -0.638 0.000 0.502 244 G HN 0.000 nan 8.290 nan 0.000 0.925