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 2fsn_1_A DATA FIRST_RESID 2 DATA SEQUENCE VVVGLDVGYG DTKVIGVDGK RIIFPSRWAV TXXXXXXXXX XIPVLSTDGG DATA SEQUENCE QTKFIYGKYA SGNNIRVPQG DGRLASKEAF PLIAAALWES GIHXXXXXVD DATA SEQUENCE LVIGSGTPLG TFDLEVKAAK EALENKVLTV TGPEGEVRQF NITRLIXRPQ DATA SEQUENCE GVGAALYLLN QGIIEQQPGY GVVIDVGSRT TDVLTINLXD XEPVVELSFS DATA SEQUENCE LQIGVGDAIS ALSRKIAKET GFVVPFDLAQ EALSHPVXFR QKQVGGPEVS DATA SEQUENCE GPILEDLANR IIENIRLNLR GEVDRVTSLI PVGGGSNLIG DRFEEIAPGT DATA SEQUENCE LVKIKPEDLQ FANALGYRDA AERS 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.118 176.094 0.039 0.000 1.182 2 V CA 0.000 62.324 62.300 0.041 0.000 1.235 2 V CB 0.000 31.857 31.823 0.057 0.000 1.184 3 V N 4.039 123.974 119.914 0.035 0.000 2.444 3 V HA 0.701 4.843 4.120 0.037 0.000 0.294 3 V C -0.498 175.615 176.094 0.032 0.000 1.022 3 V CA -0.607 61.712 62.300 0.032 0.000 0.850 3 V CB 1.900 33.742 31.823 0.032 0.000 0.992 3 V HN 0.640 nan 8.190 nan 0.000 0.426 4 V N 2.706 122.634 119.914 0.023 0.000 2.628 4 V HA 0.864 5.006 4.120 0.037 0.000 0.306 4 V C 0.603 176.714 176.094 0.027 0.000 1.045 4 V CA -0.564 61.749 62.300 0.020 0.000 0.905 4 V CB 1.826 33.647 31.823 -0.002 0.000 0.997 4 V HN 0.914 nan 8.190 nan 0.000 0.436 5 G N 2.633 111.460 108.800 0.046 0.000 2.379 5 G HA2 0.679 4.661 3.960 0.037 0.000 0.327 5 G HA3 0.679 4.661 3.960 0.037 0.000 0.327 5 G C -1.484 173.462 174.900 0.076 0.000 1.145 5 G CA -0.446 44.703 45.100 0.082 0.000 0.905 5 G HN 0.676 nan 8.290 nan 0.000 0.466 6 L N 1.501 122.782 121.223 0.096 0.000 2.431 6 L HA 0.749 5.111 4.340 0.037 0.000 0.266 6 L C -1.708 175.215 176.870 0.089 0.000 0.978 6 L CA -0.732 54.129 54.840 0.035 0.000 0.822 6 L CB 2.760 44.791 42.059 -0.046 0.000 1.310 6 L HN 0.441 nan 8.230 nan 0.000 0.409 7 D N 4.252 124.667 120.400 0.024 0.000 2.363 7 D HA 0.329 4.991 4.640 0.037 0.000 0.258 7 D C -0.827 175.415 176.300 -0.098 0.000 1.259 7 D CA -0.129 53.900 54.000 0.049 0.000 0.921 7 D CB 1.407 42.259 40.800 0.086 0.000 1.201 7 D HN 0.601 nan 8.370 nan 0.000 0.524 8 V N 2.507 122.349 119.914 -0.121 0.000 2.352 8 V HA 0.665 4.807 4.120 0.037 0.000 0.253 8 V C 1.006 177.010 176.094 -0.150 0.000 1.083 8 V CA 0.340 62.550 62.300 -0.151 0.000 0.993 8 V CB 0.669 32.409 31.823 -0.138 0.000 1.111 8 V HN 0.419 nan 8.190 nan 0.000 0.490 9 G N 1.993 110.707 108.800 -0.142 0.000 2.410 9 G HA2 0.422 4.404 3.960 0.037 0.000 0.330 9 G HA3 0.422 4.404 3.960 0.037 0.000 0.330 9 G C 0.245 175.110 174.900 -0.058 0.000 1.142 9 G CA -0.218 44.798 45.100 -0.141 0.000 0.902 9 G HN 0.640 nan 8.290 nan 0.000 0.491 10 Y N 1.094 121.380 120.300 -0.022 0.000 2.102 10 Y HA -0.278 4.292 4.550 0.035 0.000 0.280 10 Y C 2.781 178.678 175.900 -0.005 0.000 1.178 10 Y CA 1.555 59.651 58.100 -0.006 0.000 1.146 10 Y CB 0.123 38.580 38.460 -0.004 0.000 0.968 10 Y HN 0.601 nan 8.280 nan 0.000 0.504 11 G N -1.191 107.705 108.800 0.161 0.000 2.518 11 G HA2 -0.070 3.912 3.960 0.037 0.000 0.213 11 G HA3 -0.070 3.912 3.960 0.037 0.000 0.213 11 G C 0.068 174.987 174.900 0.031 0.000 1.226 11 G CA 0.543 45.689 45.100 0.077 0.000 0.822 11 G HN 0.131 nan 8.290 nan 0.000 0.546 12 D N -0.203 120.180 120.400 -0.028 0.000 2.342 12 D HA 0.453 5.115 4.640 0.037 0.000 0.243 12 D C -0.653 175.543 176.300 -0.174 0.000 1.019 12 D CA -0.087 53.859 54.000 -0.091 0.000 0.864 12 D CB 1.963 42.691 40.800 -0.119 0.000 1.315 12 D HN -0.055 nan 8.370 nan 0.000 0.468 13 T N 1.691 116.068 114.554 -0.295 0.000 2.882 13 T HA 0.384 4.756 4.350 0.037 0.000 0.287 13 T C -0.005 174.410 174.700 -0.475 0.000 0.992 13 T CA -0.350 61.482 62.100 -0.447 0.000 1.076 13 T CB 0.921 69.303 68.868 -0.810 0.000 0.961 13 T HN 0.034 nan 8.240 nan 0.000 0.490 14 K N 1.653 121.840 120.400 -0.356 0.000 2.397 14 K HA 0.735 5.077 4.320 0.037 0.000 0.253 14 K C -1.429 175.090 176.600 -0.134 0.000 0.932 14 K CA -0.573 55.546 56.287 -0.279 0.000 0.795 14 K CB 2.155 34.434 32.500 -0.368 0.000 1.159 14 K HN 0.349 nan 8.250 nan 0.000 0.424 15 V N 4.143 124.057 119.914 -0.000 0.000 3.007 15 V HA 0.606 4.748 4.120 0.037 0.000 0.311 15 V C -1.679 174.487 176.094 0.121 0.000 1.120 15 V CA -0.868 61.462 62.300 0.050 0.000 0.980 15 V CB 1.820 33.663 31.823 0.033 0.000 1.033 15 V HN 0.596 nan 8.190 nan 0.000 0.429 16 I N 5.537 126.156 120.570 0.082 0.000 2.411 16 I HA 0.554 4.746 4.170 0.037 0.000 0.284 16 I C 0.771 176.917 176.117 0.048 0.000 1.012 16 I CA 0.098 61.434 61.300 0.061 0.000 1.119 16 I CB 0.762 38.785 38.000 0.039 0.000 1.261 16 I HN 0.760 nan 8.210 nan 0.000 0.448 17 G N 5.973 114.801 108.800 0.046 0.000 3.022 17 G HA2 0.602 4.584 3.960 0.037 0.000 0.157 17 G HA3 0.602 4.584 3.960 0.037 0.000 0.157 17 G C -0.032 174.888 174.900 0.034 0.000 1.468 17 G CA -0.130 44.997 45.100 0.045 0.000 1.058 17 G HN 0.519 nan 8.290 nan 0.000 0.581 18 V N -0.570 119.362 119.914 0.031 0.000 2.498 18 V HA 0.459 4.601 4.120 0.037 0.000 0.279 18 V C 0.330 176.434 176.094 0.017 0.000 1.048 18 V CA 0.339 62.653 62.300 0.024 0.000 0.967 18 V CB -0.003 31.833 31.823 0.021 0.000 0.988 18 V HN 0.749 nan 8.190 nan 0.000 0.473 19 D N 3.816 124.225 120.400 0.016 0.000 2.701 19 D HA -0.042 4.620 4.640 0.037 0.000 0.235 19 D C 1.029 177.333 176.300 0.008 0.000 1.155 19 D CA 1.719 55.726 54.000 0.012 0.000 0.649 19 D CB -1.331 39.474 40.800 0.008 0.000 1.050 19 D HN 2.099 nan 8.370 nan 0.000 0.425 20 G N -1.638 107.169 108.800 0.011 0.000 2.305 20 G HA2 -0.171 3.811 3.960 0.037 0.000 0.287 20 G HA3 -0.171 3.811 3.960 0.037 0.000 0.287 20 G C 0.539 175.425 174.900 -0.024 0.000 1.036 20 G CA 0.786 45.886 45.100 -0.000 0.000 0.887 20 G HN 0.950 nan 8.290 nan 0.000 0.505 21 K N -0.014 120.380 120.400 -0.010 0.000 2.355 21 K HA 0.637 4.979 4.320 0.037 0.000 0.270 21 K C 0.660 177.248 176.600 -0.019 0.000 1.003 21 K CA 0.205 56.482 56.287 -0.017 0.000 0.957 21 K CB 0.389 32.896 32.500 0.012 0.000 0.939 21 K HN 0.594 nan 8.250 nan 0.000 0.482 22 R N 0.907 121.373 120.500 -0.058 0.000 2.332 22 R HA 0.429 4.791 4.340 0.037 0.000 0.306 22 R C 0.347 176.701 176.300 0.090 0.000 1.117 22 R CA -0.063 55.994 56.100 -0.072 0.000 1.108 22 R CB 0.299 30.319 30.300 -0.468 0.000 1.126 22 R HN 0.741 nan 8.270 nan 0.000 0.548 23 I N 1.930 122.606 120.570 0.177 0.000 2.886 23 I HA 0.578 4.770 4.170 0.037 0.000 0.299 23 I C 0.269 176.552 176.117 0.277 0.000 1.044 23 I CA -0.464 60.985 61.300 0.249 0.000 1.310 23 I CB 0.774 38.944 38.000 0.283 0.000 1.441 23 I HN 0.862 nan 8.210 nan 0.000 0.578 24 I N 4.438 125.169 120.570 0.268 0.000 2.672 24 I HA 0.436 4.628 4.170 0.037 0.000 0.274 24 I C -1.361 174.871 176.117 0.191 0.000 1.349 24 I CA -0.320 61.038 61.300 0.097 0.000 1.149 24 I CB 0.614 38.702 38.000 0.146 0.000 1.435 24 I HN 0.698 nan 8.210 nan 0.000 0.444 25 F N 6.616 126.644 119.950 0.130 0.000 2.458 25 F HA 0.811 5.362 4.527 0.039 0.000 0.336 25 F C -2.436 173.441 175.800 0.128 0.000 1.114 25 F CA -3.014 55.089 58.000 0.171 0.000 0.987 25 F CB 0.214 39.394 39.000 0.300 0.000 1.130 25 F HN 0.117 nan 8.300 nan 0.000 0.458 26 P HA -0.130 nan 4.420 nan 0.000 0.264 26 P C -0.449 177.000 177.300 0.248 0.000 1.156 26 P CA 0.459 63.662 63.100 0.171 0.000 0.756 26 P CB 0.391 32.187 31.700 0.160 0.000 0.764 27 S N 5.026 120.822 115.700 0.160 0.000 3.363 27 S HA 0.330 4.822 4.470 0.037 0.000 0.267 27 S C 0.129 174.866 174.600 0.229 0.000 1.288 27 S CA -0.548 57.762 58.200 0.183 0.000 0.948 27 S CB -0.514 62.743 63.200 0.096 0.000 1.397 27 S HN 0.361 nan 8.310 nan 0.000 0.493 28 R N 1.745 122.439 120.500 0.322 0.000 2.647 28 R HA 0.353 4.715 4.340 0.037 0.000 0.260 28 R C -1.846 174.705 176.300 0.419 0.000 1.154 28 R CA -0.911 55.355 56.100 0.277 0.000 1.029 28 R CB 0.916 31.315 30.300 0.166 0.000 1.262 28 R HN 0.598 nan 8.270 nan 0.000 0.437 29 W N 1.665 123.046 121.300 0.134 0.000 2.728 29 W HA 0.749 5.430 4.660 0.035 0.000 0.324 29 W C -1.748 174.829 176.519 0.097 0.000 1.012 29 W CA -1.060 56.375 57.345 0.150 0.000 1.279 29 W CB 0.881 30.338 29.460 -0.005 0.000 1.289 29 W HN 0.704 nan 8.180 nan 0.000 0.418 30 A N 3.529 126.395 122.820 0.077 0.000 2.306 30 A HA 0.692 5.034 4.320 0.037 0.000 0.314 30 A C -0.419 177.248 177.584 0.139 0.000 1.164 30 A CA -0.659 51.345 52.037 -0.055 0.000 0.822 30 A CB 1.434 20.420 19.000 -0.022 0.000 1.130 30 A HN 0.504 nan 8.150 nan 0.000 0.496 31 V N 1.500 121.451 119.914 0.061 0.000 2.811 31 V HA 0.439 4.581 4.120 0.037 0.000 0.302 31 V C 0.950 177.109 176.094 0.108 0.000 1.063 31 V CA 0.262 62.664 62.300 0.170 0.000 1.088 31 V CB 1.262 33.157 31.823 0.120 0.000 0.982 31 V HN 1.046 nan 8.190 nan 0.000 0.485 44 P HA 0.582 nan 4.420 nan 0.000 0.303 44 P C -0.477 176.593 177.300 -0.383 0.000 1.350 44 P CA -0.286 62.614 63.100 -0.333 0.000 0.880 44 P CB 1.972 33.481 31.700 -0.318 0.000 1.018 45 V N 2.187 121.908 119.914 -0.322 0.000 2.461 45 V HA 0.630 4.772 4.120 0.037 0.000 0.275 45 V C 0.385 176.193 176.094 -0.478 0.000 1.047 45 V CA -0.379 61.708 62.300 -0.356 0.000 0.955 45 V CB 0.824 32.509 31.823 -0.230 0.000 0.988 45 V HN 0.777 nan 8.190 nan 0.000 0.471 46 L N 3.127 123.906 121.223 -0.739 0.000 2.211 46 L HA 1.062 5.424 4.340 0.037 0.000 0.259 46 L C 0.301 176.752 176.870 -0.700 0.000 1.031 46 L CA -0.307 54.063 54.840 -0.784 0.000 0.877 46 L CB 1.496 43.013 42.059 -0.903 0.000 1.457 46 L HN 1.385 nan 8.230 nan 0.000 0.466 47 S N -2.052 113.433 115.700 -0.358 0.000 2.561 47 S HA 0.568 5.060 4.470 0.037 0.000 0.292 47 S C 0.461 175.099 174.600 0.064 0.000 1.107 47 S CA 0.824 58.989 58.200 -0.058 0.000 0.969 47 S CB 0.742 63.900 63.200 -0.069 0.000 1.150 47 S HN 2.162 nan 8.310 nan 0.000 0.451 48 T N 1.301 115.938 114.554 0.139 0.000 3.081 48 T HA 0.263 4.635 4.350 0.037 0.000 0.255 48 T C 1.189 175.911 174.700 0.036 0.000 1.113 48 T CA 1.357 63.516 62.100 0.098 0.000 1.082 48 T CB -0.486 68.393 68.868 0.018 0.000 0.939 48 T HN 0.826 nan 8.240 nan 0.000 0.506 49 D N -0.097 120.322 120.400 0.031 0.000 2.339 49 D HA 0.415 5.077 4.640 0.037 0.000 0.217 49 D C 1.875 178.189 176.300 0.023 0.000 1.050 49 D CA 0.606 54.615 54.000 0.015 0.000 0.856 49 D CB -0.729 40.080 40.800 0.014 0.000 0.922 49 D HN 0.851 nan 8.370 nan 0.000 0.518 50 G N -1.295 107.524 108.800 0.032 0.000 2.363 50 G HA2 0.019 4.001 3.960 0.037 0.000 0.238 50 G HA3 0.019 4.001 3.960 0.037 0.000 0.238 50 G C 1.362 176.271 174.900 0.016 0.000 1.062 50 G CA 1.187 46.304 45.100 0.029 0.000 0.629 50 G HN 1.755 nan 8.290 nan 0.000 0.514 51 G N -2.099 106.708 108.800 0.011 0.000 4.212 51 G HA2 0.188 4.170 3.960 0.037 0.000 0.199 51 G HA3 0.188 4.170 3.960 0.037 0.000 0.199 51 G C 1.079 175.984 174.900 0.009 0.000 0.986 51 G CA 1.117 46.219 45.100 0.003 0.000 0.985 51 G HN 0.412 nan 8.290 nan 0.000 0.378 52 Q N 1.298 121.107 119.800 0.014 0.000 2.165 52 Q HA -0.143 4.219 4.340 0.037 0.000 0.215 52 Q C 1.475 177.494 176.000 0.031 0.000 1.010 52 Q CA 2.165 57.979 55.803 0.019 0.000 0.896 52 Q CB -1.269 27.480 28.738 0.018 0.000 0.956 52 Q HN 0.719 nan 8.270 nan 0.000 0.413 53 T N -3.987 110.594 114.554 0.045 0.000 2.926 53 T HA 0.828 5.200 4.350 0.037 0.000 0.289 53 T C -0.577 174.179 174.700 0.094 0.000 1.054 53 T CA -0.275 61.875 62.100 0.082 0.000 1.015 53 T CB 2.350 71.283 68.868 0.108 0.000 1.167 53 T HN 0.290 nan 8.240 nan 0.000 0.526 54 K N 0.679 121.171 120.400 0.154 0.000 2.592 54 K HA 0.603 4.945 4.320 0.037 0.000 0.259 54 K C -1.493 175.232 176.600 0.208 0.000 0.937 54 K CA -0.996 55.342 56.287 0.085 0.000 0.874 54 K CB 0.725 33.216 32.500 -0.015 0.000 1.339 54 K HN 1.269 nan 8.250 nan 0.000 0.425 55 F N 0.185 120.200 119.950 0.109 0.000 2.588 55 F HA 0.868 5.417 4.527 0.035 0.000 0.310 55 F C -0.571 175.305 175.800 0.126 0.000 1.082 55 F CA -1.778 56.334 58.000 0.187 0.000 0.929 55 F CB 0.962 40.212 39.000 0.417 0.000 1.254 55 F HN 0.374 nan 8.300 nan 0.000 0.455 56 I N 3.184 123.891 120.570 0.229 0.000 2.662 56 I HA 0.321 4.513 4.170 0.037 0.000 0.291 56 I C -0.297 176.089 176.117 0.447 0.000 1.046 56 I CA -0.402 60.974 61.300 0.125 0.000 1.361 56 I CB 0.805 38.840 38.000 0.058 0.000 1.429 56 I HN 0.754 nan 8.210 nan 0.000 0.558 57 Y N 2.655 123.137 120.300 0.303 0.000 2.698 57 Y HA 0.911 5.481 4.550 0.035 0.000 0.332 57 Y C 0.488 176.536 175.900 0.247 0.000 1.119 57 Y CA -0.834 57.471 58.100 0.342 0.000 1.109 57 Y CB 0.316 38.986 38.460 0.350 0.000 1.308 57 Y HN 0.878 nan 8.280 nan 0.000 0.499 58 G N 0.084 109.212 108.800 0.546 0.000 2.528 58 G HA2 -0.157 3.825 3.960 0.037 0.000 0.262 58 G HA3 -0.157 3.825 3.960 0.037 0.000 0.262 58 G C 0.757 175.781 174.900 0.207 0.000 1.200 58 G CA 1.419 46.776 45.100 0.429 0.000 0.951 58 G HN 1.495 nan 8.290 nan 0.000 0.566 59 K N -1.547 118.899 120.400 0.077 0.000 2.283 59 K HA 0.170 4.512 4.320 0.037 0.000 0.202 59 K C 2.184 178.689 176.600 -0.159 0.000 1.048 59 K CA 2.436 58.666 56.287 -0.095 0.000 0.948 59 K CB -0.411 31.932 32.500 -0.263 0.000 0.742 59 K HN 0.716 nan 8.250 nan 0.000 0.458 60 Y N -0.033 120.275 120.300 0.012 0.000 2.482 60 Y HA 0.435 5.008 4.550 0.038 0.000 0.270 60 Y C 1.456 177.360 175.900 0.007 0.000 1.152 60 Y CA -0.536 57.556 58.100 -0.013 0.000 1.292 60 Y CB 0.139 38.555 38.460 -0.073 0.000 1.070 60 Y HN 0.240 nan 8.280 nan 0.000 0.528 61 A N 0.760 123.679 122.820 0.165 0.000 2.410 61 A HA 0.617 4.959 4.320 0.037 0.000 0.292 61 A C 0.560 178.195 177.584 0.084 0.000 1.232 61 A CA 0.577 52.693 52.037 0.132 0.000 0.893 61 A CB -0.947 18.152 19.000 0.166 0.000 1.131 61 A HN 0.360 nan 8.150 nan 0.000 0.530 62 S N 1.089 116.830 115.700 0.069 0.000 2.568 62 S HA 0.951 5.443 4.470 0.037 0.000 0.302 62 S C 0.362 174.980 174.600 0.029 0.000 1.082 62 S CA -0.199 58.027 58.200 0.042 0.000 1.009 62 S CB 1.574 64.801 63.200 0.045 0.000 1.069 62 S HN 2.329 nan 8.310 nan 0.000 0.500 63 G N -0.704 108.103 108.800 0.012 0.000 2.332 63 G HA2 0.487 4.469 3.960 0.037 0.000 0.265 63 G HA3 0.487 4.469 3.960 0.037 0.000 0.265 63 G C 0.007 174.899 174.900 -0.014 0.000 1.329 63 G CA 0.852 45.953 45.100 0.001 0.000 0.949 63 G HN 1.499 nan 8.290 nan 0.000 0.476 64 N N -1.848 116.838 118.700 -0.024 0.000 2.672 64 N HA 0.377 5.139 4.740 0.037 0.000 0.229 64 N C 1.505 176.983 175.510 -0.053 0.000 1.043 64 N CA 1.645 54.675 53.050 -0.032 0.000 0.932 64 N CB -0.296 38.177 38.487 -0.023 0.000 1.500 64 N HN 1.817 nan 8.380 nan 0.000 0.445 65 N N 1.382 120.046 118.700 -0.061 0.000 3.243 65 N HA 0.430 5.192 4.740 0.037 0.000 0.310 65 N C -0.379 175.040 175.510 -0.151 0.000 1.313 65 N CA -0.117 52.877 53.050 -0.093 0.000 1.204 65 N CB -0.750 37.690 38.487 -0.078 0.000 1.483 65 N HN 0.568 nan 8.380 nan 0.000 0.553 66 I N 1.341 121.820 120.570 -0.151 0.000 2.315 66 I HA 0.348 4.540 4.170 0.037 0.000 0.291 66 I C 1.110 177.057 176.117 -0.284 0.000 1.006 66 I CA -0.808 60.374 61.300 -0.198 0.000 1.265 66 I CB 0.735 38.674 38.000 -0.102 0.000 1.387 66 I HN 0.600 nan 8.210 nan 0.000 0.475 67 R N 5.696 125.867 120.500 -0.547 0.000 2.594 67 R HA 0.599 4.961 4.340 0.037 0.000 0.272 67 R C -0.398 175.760 176.300 -0.238 0.000 1.074 67 R CA -0.241 55.488 56.100 -0.618 0.000 1.105 67 R CB 0.636 29.934 30.300 -1.671 0.000 1.008 67 R HN 0.658 nan 8.270 nan 0.000 0.472 68 V N -1.568 118.316 119.914 -0.051 0.000 3.181 68 V HA 0.878 5.020 4.120 0.037 0.000 0.308 68 V C -3.028 173.160 176.094 0.157 0.000 1.214 68 V CA -2.882 59.472 62.300 0.090 0.000 1.053 68 V CB 2.414 34.278 31.823 0.067 0.000 1.069 68 V HN 0.742 nan 8.190 nan 0.000 0.441 69 P HA 0.448 nan 4.420 nan 0.000 0.278 69 P C -0.448 177.030 177.300 0.297 0.000 1.238 69 P CA -0.151 63.077 63.100 0.212 0.000 0.794 69 P CB 0.705 32.504 31.700 0.165 0.000 0.955 70 Q N 0.461 120.415 119.800 0.257 0.000 2.280 70 Q HA 0.266 4.628 4.340 0.037 0.000 0.228 70 Q C 0.783 177.039 176.000 0.427 0.000 0.857 70 Q CA 0.358 56.322 55.803 0.269 0.000 0.939 70 Q CB 0.972 29.790 28.738 0.133 0.000 1.114 70 Q HN 0.602 nan 8.270 nan 0.000 0.514 71 G N 0.233 109.193 108.800 0.268 0.000 2.563 71 G HA2 0.314 4.296 3.960 0.037 0.000 0.302 71 G HA3 0.314 4.296 3.960 0.037 0.000 0.302 71 G C -1.300 173.235 174.900 -0.608 0.000 1.301 71 G CA -0.401 44.701 45.100 0.004 0.000 0.965 71 G HN -0.205 nan 8.290 nan 0.000 0.480 72 D N 0.135 119.906 120.400 -1.048 0.000 2.455 72 D HA 0.380 5.042 4.640 0.037 0.000 0.241 72 D C 1.476 177.575 176.300 -0.335 0.000 1.138 72 D CA 1.515 55.069 54.000 -0.745 0.000 0.877 72 D CB 0.958 41.455 40.800 -0.506 0.000 1.187 72 D HN 1.092 nan 8.370 nan 0.000 0.451 73 G N 3.840 112.489 108.800 -0.252 0.000 2.225 73 G HA2 -0.269 3.713 3.960 0.037 0.000 0.267 73 G HA3 -0.269 3.713 3.960 0.037 0.000 0.267 73 G C 0.111 174.919 174.900 -0.154 0.000 1.024 73 G CA -0.071 44.926 45.100 -0.172 0.000 0.784 73 G HN 0.496 nan 8.290 nan 0.000 0.507 74 R N 0.073 120.484 120.500 -0.147 0.000 2.369 74 R HA 0.430 4.792 4.340 0.037 0.000 0.310 74 R C 1.291 177.532 176.300 -0.098 0.000 1.141 74 R CA -0.615 55.422 56.100 -0.105 0.000 1.116 74 R CB 0.333 30.591 30.300 -0.069 0.000 1.135 74 R HN 0.350 nan 8.270 nan 0.000 0.529 75 L N 0.677 121.830 121.223 -0.117 0.000 2.375 75 L HA 0.107 4.469 4.340 0.037 0.000 0.215 75 L C 2.023 178.836 176.870 -0.095 0.000 1.108 75 L CA 0.808 55.571 54.840 -0.128 0.000 0.830 75 L CB -0.126 41.835 42.059 -0.163 0.000 0.959 75 L HN 0.488 nan 8.230 nan 0.000 0.457 76 A N -0.040 122.741 122.820 -0.065 0.000 2.208 76 A HA 0.020 4.362 4.320 0.037 0.000 0.209 76 A C 1.443 179.039 177.584 0.020 0.000 1.161 76 A CA 0.440 52.464 52.037 -0.021 0.000 0.782 76 A CB -0.396 18.587 19.000 -0.029 0.000 0.816 76 A HN 0.410 nan 8.150 nan 0.000 0.477 77 S N -0.862 114.845 115.700 0.012 0.000 2.572 77 S HA 0.432 4.924 4.470 0.037 0.000 0.279 77 S C 0.966 175.616 174.600 0.084 0.000 1.341 77 S CA 0.375 58.601 58.200 0.044 0.000 1.043 77 S CB 1.196 64.420 63.200 0.039 0.000 0.887 77 S HN 0.598 nan 8.310 nan 0.000 0.516 78 K N 1.311 121.772 120.400 0.102 0.000 2.525 78 K HA 0.156 4.498 4.320 0.037 0.000 0.192 78 K C 1.292 178.020 176.600 0.212 0.000 1.029 78 K CA 1.160 57.524 56.287 0.128 0.000 1.029 78 K CB -0.801 31.760 32.500 0.101 0.000 0.814 78 K HN 0.848 nan 8.250 nan 0.000 0.503 79 E N -0.736 119.596 120.200 0.220 0.000 2.479 79 E HA 0.271 4.643 4.350 0.037 0.000 0.193 79 E C 1.780 178.555 176.600 0.291 0.000 1.049 79 E CA 0.749 57.367 56.400 0.362 0.000 0.870 79 E CB 0.767 30.612 29.700 0.243 0.000 0.944 79 E HN 0.538 nan 8.360 nan 0.000 0.492 80 A N -0.450 122.431 122.820 0.102 0.000 2.013 80 A HA 0.158 4.501 4.320 0.037 0.000 0.204 80 A C 1.657 179.167 177.584 -0.124 0.000 1.262 80 A CA -0.226 51.805 52.037 -0.011 0.000 0.800 80 A CB -0.470 18.510 19.000 -0.033 0.000 0.909 80 A HN 0.240 nan 8.150 nan 0.000 0.472 81 F N 1.531 121.330 119.950 -0.252 0.000 2.032 81 F HA -0.199 4.351 4.527 0.038 0.000 0.297 81 F C -0.616 174.907 175.800 -0.460 0.000 1.125 81 F CA 3.001 60.820 58.000 -0.303 0.000 1.202 81 F CB -0.776 38.064 39.000 -0.268 0.000 0.958 81 F HN 0.158 nan 8.300 nan 0.000 0.491 82 P HA -0.202 nan 4.420 nan 0.000 0.218 82 P C 1.626 178.607 177.300 -0.531 0.000 1.146 82 P CA 1.573 64.094 63.100 -0.965 0.000 0.813 82 P CB -0.131 30.058 31.700 -2.520 0.000 0.778 83 L N -1.812 119.195 121.223 -0.360 0.000 2.068 83 L HA -0.099 4.263 4.340 0.037 0.000 0.204 83 L C 2.390 179.265 176.870 0.008 0.000 1.076 83 L CA 1.188 56.022 54.840 -0.009 0.000 0.753 83 L CB -0.864 41.228 42.059 0.055 0.000 0.910 83 L HN -0.068 nan 8.230 nan 0.000 0.439 84 I N 0.574 121.056 120.570 -0.146 0.000 2.091 84 I HA -0.346 3.847 4.170 0.037 0.000 0.239 84 I C 2.935 178.952 176.117 -0.167 0.000 1.061 84 I CA 1.395 62.576 61.300 -0.198 0.000 1.317 84 I CB -0.650 37.120 38.000 -0.384 0.000 1.031 84 I HN 0.223 nan 8.210 nan 0.000 0.401 85 A N 0.945 123.669 122.820 -0.160 0.000 1.884 85 A HA -0.300 4.042 4.320 0.037 0.000 0.219 85 A C 2.486 180.071 177.584 0.002 0.000 1.197 85 A CA 2.542 54.565 52.037 -0.025 0.000 0.637 85 A CB -1.083 17.996 19.000 0.133 0.000 0.827 85 A HN 0.507 nan 8.150 nan 0.000 0.450 86 A N -0.969 121.780 122.820 -0.118 0.000 2.121 86 A HA 0.293 4.635 4.320 0.037 0.000 0.218 86 A C 2.327 179.787 177.584 -0.207 0.000 1.154 86 A CA 1.774 53.527 52.037 -0.474 0.000 0.679 86 A CB -0.712 17.467 19.000 -1.367 0.000 0.795 86 A HN 0.999 nan 8.150 nan 0.000 0.458 87 A N 0.170 123.111 122.820 0.202 0.000 1.843 87 A HA 0.067 4.409 4.320 0.037 0.000 0.213 87 A C 1.949 179.607 177.584 0.123 0.000 1.202 87 A CA 1.174 53.413 52.037 0.337 0.000 0.607 87 A CB -0.689 18.410 19.000 0.165 0.000 0.847 87 A HN 0.426 nan 8.150 nan 0.000 0.445 88 L N -1.397 119.774 121.223 -0.086 0.000 2.351 88 L HA -0.232 4.130 4.340 0.037 0.000 0.220 88 L C 2.513 179.419 176.870 0.061 0.000 1.127 88 L CA 0.987 55.642 54.840 -0.308 0.000 0.786 88 L CB -0.547 40.799 42.059 -1.188 0.000 0.914 88 L HN 0.700 nan 8.230 nan 0.000 0.443 89 W N 1.649 122.954 121.300 0.009 0.000 2.418 89 W HA -0.146 4.535 4.660 0.034 0.000 0.319 89 W C 2.028 178.616 176.519 0.115 0.000 1.183 89 W CA 1.274 58.690 57.345 0.119 0.000 1.327 89 W CB -0.015 29.478 29.460 0.055 0.000 1.163 89 W HN 0.145 nan 8.180 nan 0.000 0.479 90 E N 0.568 120.957 120.200 0.315 0.000 2.516 90 E HA -0.119 4.253 4.350 0.037 0.000 0.199 90 E C 2.017 178.714 176.600 0.162 0.000 1.069 90 E CA 0.945 57.489 56.400 0.241 0.000 0.876 90 E CB 0.012 29.894 29.700 0.303 0.000 0.843 90 E HN 0.210 nan 8.360 nan 0.000 0.530 91 S N 0.087 115.864 115.700 0.129 0.000 2.387 91 S HA 0.004 4.497 4.470 0.037 0.000 0.226 91 S C 1.571 176.208 174.600 0.062 0.000 1.026 91 S CA 0.524 58.779 58.200 0.093 0.000 0.972 91 S CB -0.069 63.174 63.200 0.071 0.000 0.814 91 S HN 0.294 nan 8.310 nan 0.000 0.477 92 G N 2.184 111.004 108.800 0.034 0.000 2.600 92 G HA2 -0.136 3.846 3.960 0.037 0.000 0.251 92 G HA3 -0.136 3.846 3.960 0.037 0.000 0.251 92 G C -0.201 174.697 174.900 -0.003 0.000 1.142 92 G CA -0.191 44.906 45.100 -0.005 0.000 0.994 92 G HN 1.160 nan 8.290 nan 0.000 0.511 93 I N -0.347 120.224 120.570 0.001 0.000 2.363 93 I HA 0.687 4.879 4.170 0.037 0.000 0.292 93 I C 0.910 176.981 176.117 -0.077 0.000 1.075 93 I CA -0.160 61.133 61.300 -0.011 0.000 1.333 93 I CB -0.273 37.748 38.000 0.035 0.000 1.415 93 I HN 0.617 nan 8.210 nan 0.000 0.502 101 D N 0.168 120.592 120.400 0.039 0.000 2.479 101 D HA 0.844 5.507 4.640 0.037 0.000 0.218 101 D C -0.299 176.040 176.300 0.065 0.000 1.131 101 D CA 0.509 54.540 54.000 0.051 0.000 0.916 101 D CB 0.703 41.520 40.800 0.028 0.000 1.022 101 D HN 2.284 nan 8.370 nan 0.000 0.515 102 L N 0.464 121.744 121.223 0.095 0.000 2.343 102 L HA 0.952 5.314 4.340 0.037 0.000 0.275 102 L C 0.640 177.534 176.870 0.040 0.000 1.056 102 L CA -0.802 54.084 54.840 0.076 0.000 0.804 102 L CB 0.803 42.919 42.059 0.096 0.000 1.203 102 L HN 1.120 nan 8.230 nan 0.000 0.440 103 V N 1.863 121.792 119.914 0.025 0.000 2.547 103 V HA 0.797 4.939 4.120 0.037 0.000 0.299 103 V C -0.046 176.047 176.094 -0.003 0.000 1.040 103 V CA -0.917 61.389 62.300 0.009 0.000 0.913 103 V CB 1.439 33.270 31.823 0.013 0.000 0.992 103 V HN 0.825 nan 8.190 nan 0.000 0.449 104 I N 4.226 124.783 120.570 -0.022 0.000 2.362 104 I HA 0.550 4.742 4.170 0.037 0.000 0.289 104 I C 0.605 176.703 176.117 -0.031 0.000 0.994 104 I CA -0.545 60.731 61.300 -0.039 0.000 1.158 104 I CB 1.621 39.573 38.000 -0.080 0.000 1.315 104 I HN 0.723 nan 8.210 nan 0.000 0.451 105 G N 3.731 112.530 108.800 -0.002 0.000 2.343 105 G HA2 0.570 4.552 3.960 0.037 0.000 0.319 105 G HA3 0.570 4.552 3.960 0.037 0.000 0.319 105 G C -0.721 174.169 174.900 -0.017 0.000 1.126 105 G CA -0.135 44.974 45.100 0.015 0.000 0.889 105 G HN 0.542 nan 8.290 nan 0.000 0.457 106 S N -0.104 115.461 115.700 -0.224 0.000 2.790 106 S HA 0.916 5.408 4.470 0.037 0.000 0.292 106 S C -0.177 173.625 174.600 -1.331 0.000 1.197 106 S CA 0.061 57.905 58.200 -0.594 0.000 0.851 106 S CB 1.552 64.559 63.200 -0.321 0.000 1.217 106 S HN 1.426 nan 8.310 nan 0.000 0.526 107 G N -0.277 107.712 108.800 -1.352 0.000 2.684 107 G HA2 0.655 4.637 3.960 0.037 0.000 0.290 107 G HA3 0.655 4.637 3.960 0.037 0.000 0.290 107 G C -1.367 173.358 174.900 -0.292 0.000 1.425 107 G CA -0.193 44.406 45.100 -0.835 0.000 0.822 107 G HN 0.740 nan 8.290 nan 0.000 0.482 108 T N 0.054 114.566 114.554 -0.069 0.000 2.889 108 T HA 0.708 5.080 4.350 0.037 0.000 0.315 108 T C -2.899 171.859 174.700 0.096 0.000 1.291 108 T CA -0.902 61.191 62.100 -0.012 0.000 1.028 108 T CB 2.101 70.932 68.868 -0.063 0.000 1.235 108 T HN 0.336 nan 8.240 nan 0.000 0.491 109 P HA 0.200 nan 4.420 nan 0.000 0.271 109 P C 0.614 177.975 177.300 0.103 0.000 1.233 109 P CA -0.520 62.609 63.100 0.049 0.000 0.789 109 P CB 0.464 32.174 31.700 0.018 0.000 0.951 110 L N 1.802 123.052 121.223 0.045 0.000 2.179 110 L HA 0.079 4.441 4.340 0.037 0.000 0.208 110 L C 2.251 179.173 176.870 0.087 0.000 1.096 110 L CA 2.173 57.037 54.840 0.039 0.000 0.779 110 L CB -1.708 40.317 42.059 -0.058 0.000 0.922 110 L HN 0.513 nan 8.230 nan 0.000 0.443 111 G N -1.118 107.719 108.800 0.062 0.000 2.513 111 G HA2 -0.374 3.608 3.960 0.037 0.000 0.219 111 G HA3 -0.374 3.608 3.960 0.037 0.000 0.219 111 G C 1.321 176.262 174.900 0.069 0.000 1.160 111 G CA 1.529 46.666 45.100 0.062 0.000 0.767 111 G HN 0.516 nan 8.290 nan 0.000 0.571 112 T N -3.208 111.391 114.554 0.075 0.000 3.182 112 T HA 0.271 4.643 4.350 0.037 0.000 0.277 112 T C 1.555 176.282 174.700 0.046 0.000 1.013 112 T CA 0.032 62.160 62.100 0.046 0.000 0.900 112 T CB -0.113 68.765 68.868 0.017 0.000 1.098 112 T HN 0.089 nan 8.240 nan 0.000 0.543 113 F N 2.877 122.807 119.950 -0.034 0.000 2.154 113 F HA -0.115 4.434 4.527 0.036 0.000 0.301 113 F C 1.596 177.369 175.800 -0.045 0.000 1.087 113 F CA 1.664 59.636 58.000 -0.046 0.000 1.274 113 F CB -0.173 38.800 39.000 -0.044 0.000 1.009 113 F HN 0.219 nan 8.300 nan 0.000 0.485 114 D N 0.388 120.722 120.400 -0.109 0.000 2.110 114 D HA -0.141 4.521 4.640 0.037 0.000 0.202 114 D C 2.678 178.862 176.300 -0.192 0.000 0.975 114 D CA 1.730 55.624 54.000 -0.176 0.000 0.839 114 D CB -0.752 40.036 40.800 -0.020 0.000 0.996 114 D HN 0.366 nan 8.370 nan 0.000 0.464 115 L N 1.958 123.113 121.223 -0.114 0.000 2.013 115 L HA -0.164 4.198 4.340 0.037 0.000 0.212 115 L C 2.298 179.084 176.870 -0.141 0.000 1.073 115 L CA 1.986 56.768 54.840 -0.097 0.000 0.753 115 L CB -1.348 40.677 42.059 -0.057 0.000 0.890 115 L HN -0.008 nan 8.230 nan 0.000 0.432 116 E N -0.370 119.722 120.200 -0.179 0.000 2.274 116 E HA -0.062 4.310 4.350 0.037 0.000 0.194 116 E C 2.372 178.825 176.600 -0.245 0.000 0.996 116 E CA 1.184 57.476 56.400 -0.180 0.000 0.840 116 E CB -0.019 29.591 29.700 -0.151 0.000 0.772 116 E HN 0.635 nan 8.360 nan 0.000 0.491 117 V N 1.986 121.674 119.914 -0.376 0.000 2.307 117 V HA -0.293 3.849 4.120 0.037 0.000 0.245 117 V C 2.812 178.771 176.094 -0.225 0.000 1.045 117 V CA 2.603 64.673 62.300 -0.383 0.000 1.024 117 V CB -0.868 30.610 31.823 -0.576 0.000 0.651 117 V HN 0.325 nan 8.190 nan 0.000 0.449 118 K N 0.278 120.568 120.400 -0.184 0.000 2.034 118 K HA -0.263 4.079 4.320 0.037 0.000 0.214 118 K C 2.235 178.780 176.600 -0.092 0.000 1.051 118 K CA 2.488 58.706 56.287 -0.116 0.000 0.931 118 K CB -1.435 31.011 32.500 -0.091 0.000 0.715 118 K HN 0.624 nan 8.250 nan 0.000 0.446 119 A N 0.728 123.493 122.820 -0.092 0.000 1.841 119 A HA 0.273 4.615 4.320 0.037 0.000 0.214 119 A C 2.836 180.377 177.584 -0.072 0.000 1.195 119 A CA 2.495 54.492 52.037 -0.066 0.000 0.611 119 A CB -1.172 17.793 19.000 -0.057 0.000 0.835 119 A HN 1.246 nan 8.150 nan 0.000 0.443 120 A N -0.551 122.209 122.820 -0.100 0.000 1.985 120 A HA -0.229 4.113 4.320 0.037 0.000 0.223 120 A C 2.339 179.866 177.584 -0.095 0.000 1.189 120 A CA 3.664 55.635 52.037 -0.111 0.000 0.658 120 A CB -1.102 17.809 19.000 -0.148 0.000 0.820 120 A HN 0.851 nan 8.150 nan 0.000 0.464 121 K N -1.639 118.708 120.400 -0.088 0.000 2.044 121 K HA 0.095 4.437 4.320 0.037 0.000 0.204 121 K C 2.207 178.782 176.600 -0.042 0.000 1.049 121 K CA 2.169 58.416 56.287 -0.067 0.000 0.945 121 K CB -1.649 30.811 32.500 -0.066 0.000 0.724 121 K HN 0.875 nan 8.250 nan 0.000 0.440 122 E N 0.679 120.858 120.200 -0.036 0.000 2.065 122 E HA -0.056 4.316 4.350 0.037 0.000 0.201 122 E C 2.420 179.021 176.600 0.001 0.000 1.016 122 E CA 2.262 58.652 56.400 -0.016 0.000 0.818 122 E CB -1.071 28.620 29.700 -0.016 0.000 0.749 122 E HN 0.935 nan 8.360 nan 0.000 0.453 123 A N -0.973 121.848 122.820 0.000 0.000 2.119 123 A HA 0.381 4.723 4.320 0.037 0.000 0.216 123 A C 2.159 179.759 177.584 0.026 0.000 1.152 123 A CA 1.411 53.471 52.037 0.039 0.000 0.708 123 A CB 0.044 19.069 19.000 0.042 0.000 0.805 123 A HN 0.533 nan 8.150 nan 0.000 0.460 124 L N -2.557 118.649 121.223 -0.028 0.000 3.154 124 L HA 0.295 4.657 4.340 0.037 0.000 0.280 124 L C 0.472 177.323 176.870 -0.032 0.000 1.134 124 L CA -0.332 54.476 54.840 -0.053 0.000 1.037 124 L CB -0.074 41.906 42.059 -0.131 0.000 1.571 124 L HN 0.027 nan 8.230 nan 0.000 0.576 125 E N 1.973 122.155 120.200 -0.029 0.000 2.383 125 E HA 0.158 4.530 4.350 0.037 0.000 0.264 125 E C 0.739 177.338 176.600 -0.000 0.000 1.050 125 E CA 0.579 56.968 56.400 -0.019 0.000 0.896 125 E CB 0.443 30.128 29.700 -0.025 0.000 0.982 125 E HN 0.344 nan 8.360 nan 0.000 0.424 126 N N 0.839 119.543 118.700 0.005 0.000 2.730 126 N HA -0.252 4.510 4.740 0.037 0.000 0.266 126 N C -0.328 175.198 175.510 0.027 0.000 0.949 126 N CA 1.553 54.613 53.050 0.016 0.000 0.829 126 N CB -1.579 36.915 38.487 0.012 0.000 0.916 126 N HN 0.517 nan 8.380 nan 0.000 0.558 127 K N -0.853 119.570 120.400 0.037 0.000 2.395 127 K HA 0.923 5.265 4.320 0.037 0.000 0.245 127 K C -0.166 176.483 176.600 0.080 0.000 1.017 127 K CA 0.151 56.473 56.287 0.059 0.000 0.852 127 K CB 1.703 34.247 32.500 0.074 0.000 1.311 127 K HN 0.929 nan 8.250 nan 0.000 0.452 128 V N 1.766 121.741 119.914 0.102 0.000 2.327 128 V HA 0.470 4.612 4.120 0.037 0.000 0.272 128 V C 0.239 176.436 176.094 0.171 0.000 1.019 128 V CA -0.762 61.611 62.300 0.122 0.000 0.814 128 V CB 0.430 32.304 31.823 0.086 0.000 1.040 128 V HN 0.971 nan 8.190 nan 0.000 0.440 129 L N 3.009 124.370 121.223 0.231 0.000 2.500 129 L HA 0.819 5.181 4.340 0.037 0.000 0.272 129 L C 0.772 177.833 176.870 0.319 0.000 1.149 129 L CA 0.968 55.991 54.840 0.306 0.000 0.897 129 L CB -0.775 41.460 42.059 0.294 0.000 1.178 129 L HN 0.859 nan 8.230 nan 0.000 0.473 130 T N 2.080 116.777 114.554 0.239 0.000 2.771 130 T HA 0.720 5.092 4.350 0.037 0.000 0.281 130 T C -0.192 174.634 174.700 0.210 0.000 0.982 130 T CA -0.461 61.751 62.100 0.186 0.000 0.978 130 T CB 0.819 69.754 68.868 0.112 0.000 0.930 130 T HN 1.557 nan 8.240 nan 0.000 0.447 131 V N 1.841 121.905 119.914 0.250 0.000 2.888 131 V HA 0.775 4.917 4.120 0.037 0.000 0.309 131 V C -0.170 176.088 176.094 0.274 0.000 1.114 131 V CA -0.947 61.520 62.300 0.279 0.000 0.940 131 V CB 1.872 33.969 31.823 0.456 0.000 1.021 131 V HN 0.879 nan 8.190 nan 0.000 0.426 132 T N 2.639 117.235 114.554 0.071 0.000 2.848 132 T HA 0.765 5.137 4.350 0.037 0.000 0.285 132 T C 0.318 174.903 174.700 -0.192 0.000 0.995 132 T CA 0.028 62.152 62.100 0.040 0.000 0.970 132 T CB 1.776 70.656 68.868 0.020 0.000 0.976 132 T HN 1.153 nan 8.240 nan 0.000 0.441 133 G N 2.884 111.638 108.800 -0.077 0.000 3.075 133 G HA2 0.741 4.723 3.960 0.037 0.000 0.253 133 G HA3 0.741 4.723 3.960 0.037 0.000 0.253 133 G C -2.692 172.193 174.900 -0.026 0.000 1.353 133 G CA -1.655 43.322 45.100 -0.205 0.000 1.051 133 G HN 0.456 nan 8.290 nan 0.000 0.553 134 P HA 0.290 nan 4.420 nan 0.000 0.269 134 P C 0.467 177.793 177.300 0.045 0.000 1.205 134 P CA 1.443 64.546 63.100 0.004 0.000 0.780 134 P CB 0.046 31.748 31.700 0.005 0.000 0.858 135 E N 0.613 120.825 120.200 0.020 0.000 2.365 135 E HA -0.162 4.210 4.350 0.037 0.000 0.237 135 E C 0.955 177.576 176.600 0.034 0.000 1.238 135 E CA 1.391 57.805 56.400 0.023 0.000 0.718 135 E CB -2.518 27.197 29.700 0.025 0.000 1.218 135 E HN 1.145 nan 8.360 nan 0.000 0.387 136 G N -0.793 108.028 108.800 0.034 0.000 2.359 136 G HA2 -0.216 3.766 3.960 0.037 0.000 0.298 136 G HA3 -0.216 3.766 3.960 0.037 0.000 0.298 136 G C -0.082 174.857 174.900 0.065 0.000 1.030 136 G CA 0.799 45.922 45.100 0.039 0.000 1.149 136 G HN 1.334 nan 8.290 nan 0.000 0.512 137 E N -0.409 119.862 120.200 0.118 0.000 2.092 137 E HA 0.620 4.992 4.350 0.037 0.000 0.271 137 E C 0.807 177.530 176.600 0.205 0.000 0.919 137 E CA -0.259 56.230 56.400 0.148 0.000 0.760 137 E CB 1.018 30.830 29.700 0.187 0.000 1.106 137 E HN 0.863 nan 8.360 nan 0.000 0.408 138 V N 4.218 124.200 119.914 0.112 0.000 2.881 138 V HA 0.460 4.603 4.120 0.037 0.000 0.303 138 V C 0.107 176.221 176.094 0.034 0.000 1.070 138 V CA 0.169 62.532 62.300 0.105 0.000 1.074 138 V CB 0.810 32.662 31.823 0.048 0.000 1.012 138 V HN 0.708 nan 8.190 nan 0.000 0.482 139 R N 3.083 123.598 120.500 0.024 0.000 2.584 139 R HA 0.722 5.084 4.340 0.037 0.000 0.276 139 R C -0.812 175.337 176.300 -0.251 0.000 1.046 139 R CA -0.360 55.613 56.100 -0.211 0.000 0.906 139 R CB 1.799 31.886 30.300 -0.356 0.000 1.215 139 R HN 1.044 nan 8.270 nan 0.000 0.449 140 Q N 2.962 122.519 119.800 -0.405 0.000 2.290 140 Q HA 0.506 4.868 4.340 0.037 0.000 0.269 140 Q C -1.263 174.494 176.000 -0.405 0.000 1.016 140 Q CA -0.704 54.940 55.803 -0.264 0.000 0.754 140 Q CB 1.133 29.819 28.738 -0.087 0.000 1.247 140 Q HN 0.524 nan 8.270 nan 0.000 0.451 141 F N 2.243 122.216 119.950 0.039 0.000 2.410 141 F HA 0.439 4.988 4.527 0.038 0.000 0.349 141 F C 0.808 176.622 175.800 0.024 0.000 1.117 141 F CA -1.201 56.812 58.000 0.023 0.000 1.104 141 F CB 1.559 40.572 39.000 0.023 0.000 1.122 141 F HN 0.569 nan 8.300 nan 0.000 0.483 142 N N 3.916 122.705 118.700 0.149 0.000 2.422 142 N HA 0.278 5.040 4.740 0.037 0.000 0.264 142 N C -0.764 174.808 175.510 0.104 0.000 1.063 142 N CA -0.336 52.777 53.050 0.106 0.000 0.959 142 N CB 0.709 39.230 38.487 0.057 0.000 1.087 142 N HN 0.530 nan 8.380 nan 0.000 0.483 143 I N 3.363 123.982 120.570 0.082 0.000 2.294 143 I HA 0.037 4.229 4.170 0.037 0.000 0.295 143 I C 1.919 178.051 176.117 0.025 0.000 1.098 143 I CA -0.331 60.993 61.300 0.040 0.000 1.277 143 I CB 0.382 38.384 38.000 0.003 0.000 1.434 143 I HN 0.511 nan 8.210 nan 0.000 0.498 144 T N 2.724 117.292 114.554 0.024 0.000 2.545 144 T HA -0.071 4.301 4.350 0.037 0.000 0.261 144 T C 1.136 175.838 174.700 0.003 0.000 1.097 144 T CA 1.423 63.532 62.100 0.015 0.000 1.189 144 T CB -0.303 68.575 68.868 0.016 0.000 0.863 144 T HN 0.642 nan 8.240 nan 0.000 0.405 145 R N 0.084 120.583 120.500 -0.002 0.000 2.912 145 R HA 0.891 5.253 4.340 0.037 0.000 0.262 145 R C -0.961 175.324 176.300 -0.025 0.000 1.057 145 R CA -0.427 55.666 56.100 -0.011 0.000 0.981 145 R CB 0.395 30.692 30.300 -0.005 0.000 1.201 145 R HN 1.136 nan 8.270 nan 0.000 0.484 146 L N 0.514 121.716 121.223 -0.034 0.000 2.372 146 L HA 0.914 5.276 4.340 0.037 0.000 0.273 146 L C 0.735 177.581 176.870 -0.041 0.000 0.989 146 L CA -0.511 54.298 54.840 -0.052 0.000 0.841 146 L CB 0.302 42.315 42.059 -0.076 0.000 1.225 146 L HN 1.658 nan 8.230 nan 0.000 0.414 150 P HA 0.116 nan 4.420 nan 0.000 0.271 150 P C -0.271 177.033 177.300 0.006 0.000 1.218 150 P CA 0.051 62.985 63.100 -0.277 0.000 0.780 150 P CB 0.428 31.844 31.700 -0.473 0.000 0.901 151 Q N 1.550 121.395 119.800 0.076 0.000 2.369 151 Q HA 0.348 4.710 4.340 0.037 0.000 0.295 151 Q C 1.546 177.557 176.000 0.020 0.000 1.075 151 Q CA 0.647 56.528 55.803 0.130 0.000 0.941 151 Q CB -1.165 27.622 28.738 0.082 0.000 1.260 151 Q HN 0.938 nan 8.270 nan 0.000 0.417 152 G N -0.662 108.139 108.800 0.002 0.000 2.454 152 G HA2 -0.314 3.668 3.960 0.037 0.000 0.225 152 G HA3 -0.314 3.668 3.960 0.037 0.000 0.225 152 G C 1.413 176.286 174.900 -0.046 0.000 1.138 152 G CA 0.931 45.999 45.100 -0.052 0.000 0.667 152 G HN 1.454 nan 8.290 nan 0.000 0.512 153 V N 1.981 121.876 119.914 -0.032 0.000 2.379 153 V HA 0.158 4.300 4.120 0.037 0.000 0.245 153 V C 3.143 179.245 176.094 0.013 0.000 1.044 153 V CA 2.775 65.058 62.300 -0.028 0.000 1.036 153 V CB -1.212 30.576 31.823 -0.059 0.000 0.664 153 V HN 0.860 nan 8.190 nan 0.000 0.453 154 G N 0.212 109.054 108.800 0.069 0.000 2.505 154 G HA2 -0.304 3.678 3.960 0.037 0.000 0.220 154 G HA3 -0.304 3.678 3.960 0.037 0.000 0.220 154 G C 1.684 176.532 174.900 -0.087 0.000 1.145 154 G CA 1.362 46.450 45.100 -0.021 0.000 0.761 154 G HN 0.632 nan 8.290 nan 0.000 0.571 155 A N 0.590 123.355 122.820 -0.092 0.000 1.970 155 A HA 0.503 4.845 4.320 0.037 0.000 0.216 155 A C 2.748 180.351 177.584 0.032 0.000 1.170 155 A CA 1.773 53.782 52.037 -0.045 0.000 0.645 155 A CB -0.515 18.446 19.000 -0.064 0.000 0.816 155 A HN 0.724 nan 8.150 nan 0.000 0.447 156 A N 0.379 123.203 122.820 0.006 0.000 1.841 156 A HA -0.018 4.324 4.320 0.037 0.000 0.214 156 A C 2.109 179.707 177.584 0.023 0.000 1.195 156 A CA 1.399 53.440 52.037 0.007 0.000 0.611 156 A CB -0.794 18.196 19.000 -0.017 0.000 0.835 156 A HN 0.440 nan 8.150 nan 0.000 0.443 157 L N -2.061 119.178 121.223 0.028 0.000 1.957 157 L HA -0.310 4.053 4.340 0.037 0.000 0.228 157 L C 2.549 179.451 176.870 0.052 0.000 1.086 157 L CA 2.502 57.364 54.840 0.035 0.000 0.796 157 L CB -1.173 40.916 42.059 0.050 0.000 0.900 157 L HN 0.585 nan 8.230 nan 0.000 0.439 158 Y N 0.589 120.869 120.300 -0.034 0.000 2.108 158 Y HA -0.353 4.213 4.550 0.025 0.000 0.274 158 Y C 2.382 178.267 175.900 -0.024 0.000 1.229 158 Y CA 2.159 60.240 58.100 -0.032 0.000 1.129 158 Y CB -0.477 37.955 38.460 -0.048 0.000 0.946 158 Y HN 0.060 nan 8.280 nan 0.000 0.509 159 L N -1.133 120.086 121.223 -0.008 0.000 2.093 159 L HA -0.183 4.179 4.340 0.037 0.000 0.208 159 L C 2.441 179.243 176.870 -0.112 0.000 1.085 159 L CA 1.072 55.857 54.840 -0.091 0.000 0.755 159 L CB -0.742 41.330 42.059 0.022 0.000 0.904 159 L HN 0.324 nan 8.230 nan 0.000 0.435 160 L N 0.251 121.435 121.223 -0.066 0.000 2.042 160 L HA -0.246 4.116 4.340 0.037 0.000 0.210 160 L C 2.057 178.874 176.870 -0.089 0.000 1.076 160 L CA 1.998 56.802 54.840 -0.060 0.000 0.749 160 L CB -0.648 41.392 42.059 -0.032 0.000 0.893 160 L HN 0.271 nan 8.230 nan 0.000 0.432 161 N N -1.237 117.392 118.700 -0.118 0.000 2.120 161 N HA -0.189 4.573 4.740 0.037 0.000 0.188 161 N C 1.398 176.797 175.510 -0.186 0.000 1.024 161 N CA 1.113 54.083 53.050 -0.134 0.000 0.852 161 N CB -0.110 38.303 38.487 -0.124 0.000 1.003 161 N HN 0.453 nan 8.380 nan 0.000 0.424 162 Q N 0.026 119.644 119.800 -0.304 0.000 2.515 162 Q HA 0.020 4.382 4.340 0.037 0.000 0.212 162 Q C 1.104 177.010 176.000 -0.156 0.000 0.970 162 Q CA 0.629 56.266 55.803 -0.276 0.000 0.941 162 Q CB 0.193 28.685 28.738 -0.410 0.000 0.998 162 Q HN 0.542 nan 8.270 nan 0.000 0.518 163 G N 1.291 110.020 108.800 -0.118 0.000 2.166 163 G HA2 -0.301 3.681 3.960 0.037 0.000 0.260 163 G HA3 -0.301 3.681 3.960 0.037 0.000 0.260 163 G C 0.870 175.735 174.900 -0.058 0.000 0.986 163 G CA 0.580 45.636 45.100 -0.073 0.000 0.683 163 G HN 0.459 nan 8.290 nan 0.000 0.527 164 I N 0.469 120.998 120.570 -0.069 0.000 2.546 164 I HA 0.107 4.299 4.170 0.037 0.000 0.255 164 I C 1.684 177.788 176.117 -0.023 0.000 1.163 164 I CA 1.420 62.696 61.300 -0.040 0.000 1.457 164 I CB -0.248 37.728 38.000 -0.039 0.000 1.092 164 I HN 0.556 nan 8.210 nan 0.000 0.434 165 I N -2.619 117.934 120.570 -0.027 0.000 3.042 165 I HA 0.848 5.040 4.170 0.037 0.000 0.310 165 I C -0.491 175.615 176.117 -0.019 0.000 1.117 165 I CA -0.696 60.595 61.300 -0.015 0.000 1.003 165 I CB 1.891 39.887 38.000 -0.008 0.000 1.228 165 I HN -0.183 nan 8.210 nan 0.000 0.443 166 E N 2.362 122.556 120.200 -0.010 0.000 2.433 166 E HA 0.456 4.828 4.350 0.037 0.000 0.278 166 E C -1.413 175.186 176.600 -0.002 0.000 0.976 166 E CA -0.897 55.497 56.400 -0.010 0.000 0.793 166 E CB 1.376 31.069 29.700 -0.012 0.000 1.311 166 E HN 0.759 nan 8.360 nan 0.000 0.460 167 Q N 0.278 120.077 119.800 -0.002 0.000 2.492 167 Q HA 0.479 4.841 4.340 0.037 0.000 0.238 167 Q C 0.009 176.013 176.000 0.007 0.000 1.045 167 Q CA 0.312 56.118 55.803 0.004 0.000 0.934 167 Q CB 0.622 29.361 28.738 0.002 0.000 1.276 167 Q HN 0.749 nan 8.270 nan 0.000 0.521 168 Q N -2.326 117.482 119.800 0.013 0.000 3.073 168 Q HA 0.223 4.585 4.340 0.037 0.000 0.308 168 Q C -3.026 172.987 176.000 0.021 0.000 0.885 168 Q CA -1.365 54.446 55.803 0.013 0.000 0.852 168 Q CB -0.679 28.065 28.738 0.010 0.000 1.666 168 Q HN 0.289 nan 8.270 nan 0.000 0.542 169 P HA 0.356 nan 4.420 nan 0.000 0.269 169 P C 0.353 177.659 177.300 0.011 0.000 1.211 169 P CA 1.900 65.004 63.100 0.007 0.000 0.781 169 P CB 0.137 31.831 31.700 -0.010 0.000 0.877 170 G N -0.210 108.583 108.800 -0.011 0.000 2.627 170 G HA2 -0.097 3.886 3.960 0.037 0.000 0.214 170 G HA3 -0.097 3.886 3.960 0.037 0.000 0.214 170 G C -1.772 173.233 174.900 0.175 0.000 1.331 170 G CA -0.807 44.278 45.100 -0.026 0.000 0.891 170 G HN 0.361 nan 8.290 nan 0.000 0.539 171 Y N 0.567 120.862 120.300 -0.008 0.000 2.373 171 Y HA 0.629 5.201 4.550 0.036 0.000 0.336 171 Y C 0.973 176.864 175.900 -0.015 0.000 0.979 171 Y CA -0.859 57.234 58.100 -0.011 0.000 1.080 171 Y CB 1.714 40.169 38.460 -0.009 0.000 1.190 171 Y HN 1.109 nan 8.280 nan 0.000 0.446 172 G N 1.554 110.419 108.800 0.108 0.000 2.395 172 G HA2 0.506 4.488 3.960 0.037 0.000 0.283 172 G HA3 0.506 4.488 3.960 0.037 0.000 0.283 172 G C -1.306 173.583 174.900 -0.019 0.000 1.178 172 G CA -0.452 44.667 45.100 0.033 0.000 0.837 172 G HN 0.365 nan 8.290 nan 0.000 0.518 173 V N 2.965 122.865 119.914 -0.024 0.000 2.357 173 V HA 0.174 4.316 4.120 0.037 0.000 0.281 173 V C 0.003 176.048 176.094 -0.082 0.000 1.015 173 V CA -0.624 61.635 62.300 -0.069 0.000 0.827 173 V CB 1.405 33.197 31.823 -0.053 0.000 1.018 173 V HN 0.568 nan 8.190 nan 0.000 0.432 174 V N 6.670 126.523 119.914 -0.101 0.000 2.455 174 V HA 0.366 4.508 4.120 0.037 0.000 0.273 174 V C 0.153 176.160 176.094 -0.146 0.000 1.045 174 V CA 0.028 62.270 62.300 -0.096 0.000 0.976 174 V CB 1.021 32.792 31.823 -0.087 0.000 0.993 174 V HN 0.653 nan 8.190 nan 0.000 0.475 175 I N 4.124 124.612 120.570 -0.137 0.000 2.428 175 I HA 0.276 4.468 4.170 0.037 0.000 0.279 175 I C -0.278 175.789 176.117 -0.082 0.000 1.040 175 I CA -0.268 60.912 61.300 -0.199 0.000 1.171 175 I CB 1.320 39.092 38.000 -0.380 0.000 1.312 175 I HN 0.519 nan 8.210 nan 0.000 0.470 176 D N 6.863 127.217 120.400 -0.076 0.000 2.494 176 D HA 0.135 4.797 4.640 0.037 0.000 0.217 176 D C -0.179 176.127 176.300 0.010 0.000 1.153 176 D CA -0.271 53.713 54.000 -0.026 0.000 0.954 176 D CB 0.782 41.553 40.800 -0.049 0.000 1.034 176 D HN 0.078 nan 8.370 nan 0.000 0.518 177 V N 3.628 123.584 119.914 0.069 0.000 2.458 177 V HA 0.413 4.555 4.120 0.037 0.000 0.287 177 V C 1.421 177.544 176.094 0.048 0.000 1.009 177 V CA 0.301 62.656 62.300 0.091 0.000 1.091 177 V CB 0.667 32.576 31.823 0.144 0.000 0.960 177 V HN 0.544 nan 8.190 nan 0.000 0.476 178 G N 3.380 112.209 108.800 0.047 0.000 2.828 178 G HA2 0.461 4.443 3.960 0.037 0.000 0.244 178 G HA3 0.461 4.443 3.960 0.037 0.000 0.244 178 G C 0.964 175.892 174.900 0.047 0.000 1.365 178 G CA 0.289 45.414 45.100 0.041 0.000 1.041 178 G HN 0.700 nan 8.290 nan 0.000 0.560 179 S N -1.202 114.534 115.700 0.061 0.000 2.404 179 S HA 0.024 4.516 4.470 0.037 0.000 0.223 179 S C 2.049 176.671 174.600 0.036 0.000 1.040 179 S CA 1.018 59.245 58.200 0.046 0.000 0.957 179 S CB -0.027 63.202 63.200 0.048 0.000 0.826 179 S HN 0.467 nan 8.310 nan 0.000 0.491 180 R N 1.485 122.022 120.500 0.061 0.000 2.121 180 R HA 0.316 4.678 4.340 0.037 0.000 0.206 180 R C 0.880 177.204 176.300 0.039 0.000 1.094 180 R CA 1.261 57.354 56.100 -0.011 0.000 1.055 180 R CB -0.320 29.861 30.300 -0.198 0.000 0.964 180 R HN 0.540 nan 8.270 nan 0.000 0.473 181 T N -0.671 113.953 114.554 0.116 0.000 2.925 181 T HA 0.453 4.825 4.350 0.037 0.000 0.285 181 T C -0.610 174.140 174.700 0.083 0.000 1.021 181 T CA -0.436 61.730 62.100 0.111 0.000 1.042 181 T CB 1.538 70.509 68.868 0.171 0.000 1.037 181 T HN -0.012 nan 8.240 nan 0.000 0.481 182 T N 2.550 117.145 114.554 0.068 0.000 2.779 182 T HA 0.471 4.843 4.350 0.037 0.000 0.280 182 T C -1.219 173.482 174.700 0.001 0.000 0.987 182 T CA -0.401 61.724 62.100 0.042 0.000 0.966 182 T CB 0.691 69.594 68.868 0.058 0.000 0.933 182 T HN 0.658 nan 8.240 nan 0.000 0.442 183 D N 3.890 124.259 120.400 -0.050 0.000 2.471 183 D HA 0.369 5.031 4.640 0.037 0.000 0.245 183 D C -0.869 175.304 176.300 -0.211 0.000 1.116 183 D CA -0.330 53.607 54.000 -0.106 0.000 0.853 183 D CB 1.502 42.264 40.800 -0.063 0.000 1.123 183 D HN 0.214 nan 8.370 nan 0.000 0.540 184 V N 5.023 124.696 119.914 -0.403 0.000 2.394 184 V HA 0.421 4.563 4.120 0.037 0.000 0.282 184 V C 0.174 175.953 176.094 -0.525 0.000 1.031 184 V CA -0.771 61.199 62.300 -0.549 0.000 0.881 184 V CB 1.662 32.945 31.823 -0.900 0.000 0.982 184 V HN 0.478 nan 8.190 nan 0.000 0.451 185 L N 4.506 125.526 121.223 -0.340 0.000 2.415 185 L HA 0.533 4.895 4.340 0.037 0.000 0.268 185 L C 0.066 176.803 176.870 -0.221 0.000 0.984 185 L CA 0.066 54.750 54.840 -0.260 0.000 0.853 185 L CB 1.738 43.686 42.059 -0.185 0.000 1.215 185 L HN 0.652 nan 8.230 nan 0.000 0.419 186 T N 6.044 120.465 114.554 -0.222 0.000 2.752 186 T HA 0.365 4.737 4.350 0.037 0.000 0.295 186 T C -0.170 174.366 174.700 -0.273 0.000 0.923 186 T CA 0.485 62.456 62.100 -0.214 0.000 1.112 186 T CB 0.292 69.040 68.868 -0.200 0.000 0.884 186 T HN 0.451 nan 8.240 nan 0.000 0.525 187 I N 3.834 124.257 120.570 -0.246 0.000 2.474 187 I HA 0.382 4.574 4.170 0.037 0.000 0.294 187 I C -0.382 175.598 176.117 -0.229 0.000 1.005 187 I CA -0.998 60.170 61.300 -0.219 0.000 1.113 187 I CB 1.724 39.650 38.000 -0.124 0.000 1.289 187 I HN 0.432 nan 8.210 nan 0.000 0.436 188 N N 7.505 126.080 118.700 -0.208 0.000 2.414 188 N HA 0.354 5.116 4.740 0.037 0.000 0.256 188 N C -0.751 174.791 175.510 0.052 0.000 1.029 188 N CA -0.220 52.831 53.050 0.001 0.000 0.948 188 N CB 0.639 39.155 38.487 0.048 0.000 1.102 188 N HN 0.483 nan 8.380 nan 0.000 0.496 194 P HA 0.113 nan 4.420 nan 0.000 0.269 194 P C -0.144 177.057 177.300 -0.166 0.000 1.215 194 P CA -0.343 62.661 63.100 -0.159 0.000 0.780 194 P CB 0.707 32.313 31.700 -0.157 0.000 0.898 195 V N 3.695 123.483 119.914 -0.210 0.000 2.275 195 V HA 0.013 4.155 4.120 0.037 0.000 0.272 195 V C 1.721 177.745 176.094 -0.116 0.000 1.028 195 V CA -0.227 61.953 62.300 -0.199 0.000 0.810 195 V CB 0.948 32.548 31.823 -0.371 0.000 1.043 195 V HN 0.342 nan 8.190 nan 0.000 0.453 196 V N 4.163 124.036 119.914 -0.070 0.000 2.287 196 V HA -0.214 3.928 4.120 0.037 0.000 0.248 196 V C 2.195 178.291 176.094 0.004 0.000 1.053 196 V CA 2.275 64.555 62.300 -0.034 0.000 1.027 196 V CB -0.362 31.450 31.823 -0.018 0.000 0.646 196 V HN 0.932 nan 8.190 nan 0.000 0.447 197 E N 0.274 120.480 120.200 0.011 0.000 2.268 197 E HA -0.075 4.297 4.350 0.037 0.000 0.195 197 E C 1.387 178.030 176.600 0.073 0.000 0.995 197 E CA 0.716 57.139 56.400 0.038 0.000 0.836 197 E CB -0.192 29.527 29.700 0.032 0.000 0.763 197 E HN 0.482 nan 8.360 nan 0.000 0.491 198 L N 0.625 121.882 121.223 0.057 0.000 3.034 198 L HA 0.302 4.665 4.340 0.037 0.000 0.245 198 L C -0.383 176.569 176.870 0.138 0.000 1.295 198 L CA -0.241 54.667 54.840 0.113 0.000 1.068 198 L CB 0.229 42.313 42.059 0.042 0.000 1.426 198 L HN -0.078 nan 8.230 nan 0.000 0.531 199 S N 0.413 116.220 115.700 0.178 0.000 2.575 199 S HA 0.756 5.248 4.470 0.037 0.000 0.278 199 S C -0.794 173.891 174.600 0.141 0.000 1.139 199 S CA -0.493 57.693 58.200 -0.022 0.000 0.954 199 S CB 1.898 65.052 63.200 -0.077 0.000 1.054 199 S HN 0.271 nan 8.310 nan 0.000 0.483 200 F N -0.759 119.170 119.950 -0.035 0.000 3.052 200 F HA 0.847 5.397 4.527 0.040 0.000 0.323 200 F C -0.743 175.047 175.800 -0.016 0.000 1.178 200 F CA -1.014 56.974 58.000 -0.020 0.000 0.892 200 F CB 1.118 40.107 39.000 -0.019 0.000 1.416 200 F HN 0.402 nan 8.300 nan 0.000 0.488 201 S N 1.134 116.999 115.700 0.275 0.000 2.647 201 S HA 0.730 5.222 4.470 0.037 0.000 0.300 201 S C -1.163 173.565 174.600 0.213 0.000 1.129 201 S CA -0.663 57.629 58.200 0.153 0.000 1.029 201 S CB 0.548 63.806 63.200 0.096 0.000 1.007 201 S HN 0.727 nan 8.310 nan 0.000 0.484 202 L N 3.962 125.296 121.223 0.185 0.000 2.399 202 L HA 0.470 4.832 4.340 0.037 0.000 0.266 202 L C 0.220 177.148 176.870 0.097 0.000 1.114 202 L CA -0.604 54.322 54.840 0.143 0.000 0.804 202 L CB 0.784 42.926 42.059 0.139 0.000 1.146 202 L HN 0.669 nan 8.230 nan 0.000 0.451 203 Q N 3.316 123.160 119.800 0.072 0.000 2.923 203 Q HA 0.495 4.857 4.340 0.037 0.000 0.363 203 Q C -0.741 175.281 176.000 0.036 0.000 1.159 203 Q CA 0.055 55.889 55.803 0.052 0.000 1.073 203 Q CB 0.555 29.314 28.738 0.034 0.000 1.364 203 Q HN 0.515 nan 8.270 nan 0.000 0.466 204 I N -1.104 119.495 120.570 0.049 0.000 2.563 204 I HA 0.675 4.867 4.170 0.037 0.000 0.285 204 I C -0.738 175.410 176.117 0.052 0.000 1.123 204 I CA -0.380 60.945 61.300 0.043 0.000 1.059 204 I CB 0.989 39.020 38.000 0.051 0.000 1.229 204 I HN 0.297 nan 8.210 nan 0.000 0.442 205 G N 4.444 113.267 108.800 0.038 0.000 3.286 205 G HA2 0.400 4.382 3.960 0.037 0.000 0.166 205 G HA3 0.400 4.382 3.960 0.037 0.000 0.166 205 G C 0.114 175.033 174.900 0.033 0.000 1.155 205 G CA 0.053 45.178 45.100 0.043 0.000 0.871 205 G HN 0.337 nan 8.290 nan 0.000 0.637 206 V N 0.967 120.895 119.914 0.023 0.000 2.685 206 V HA 0.144 4.286 4.120 0.037 0.000 0.244 206 V C 3.025 179.120 176.094 0.001 0.000 1.054 206 V CA 1.599 63.907 62.300 0.013 0.000 1.076 206 V CB -0.316 31.513 31.823 0.011 0.000 0.725 206 V HN 0.759 nan 8.190 nan 0.000 0.467 207 G N 0.671 109.468 108.800 -0.005 0.000 2.547 207 G HA2 -0.364 3.619 3.960 0.037 0.000 0.221 207 G HA3 -0.364 3.619 3.960 0.037 0.000 0.221 207 G C 1.073 175.964 174.900 -0.016 0.000 1.140 207 G CA 1.739 46.829 45.100 -0.017 0.000 0.760 207 G HN 0.543 nan 8.290 nan 0.000 0.583 208 D N 0.701 121.096 120.400 -0.010 0.000 2.104 208 D HA 0.024 4.686 4.640 0.037 0.000 0.194 208 D C 2.801 179.097 176.300 -0.006 0.000 0.994 208 D CA 1.515 55.510 54.000 -0.007 0.000 0.830 208 D CB -0.301 40.500 40.800 0.002 0.000 0.959 208 D HN 0.361 nan 8.370 nan 0.000 0.452 209 A N 0.219 123.038 122.820 -0.003 0.000 1.933 209 A HA -0.127 4.215 4.320 0.037 0.000 0.218 209 A C 2.173 179.750 177.584 -0.011 0.000 1.175 209 A CA 0.816 52.850 52.037 -0.006 0.000 0.628 209 A CB -0.653 18.344 19.000 -0.004 0.000 0.814 209 A HN 0.171 nan 8.150 nan 0.000 0.444 210 I N -0.293 120.269 120.570 -0.014 0.000 2.045 210 I HA -0.261 3.931 4.170 0.037 0.000 0.233 210 I C 2.775 178.878 176.117 -0.023 0.000 1.048 210 I CA 1.792 63.080 61.300 -0.020 0.000 1.313 210 I CB -0.535 37.451 38.000 -0.023 0.000 1.043 210 I HN 0.273 nan 8.210 nan 0.000 0.393 211 S N 0.952 116.637 115.700 -0.025 0.000 2.370 211 S HA -0.217 4.275 4.470 0.037 0.000 0.226 211 S C 2.216 176.803 174.600 -0.021 0.000 1.033 211 S CA 1.255 59.439 58.200 -0.027 0.000 1.011 211 S CB -0.606 62.578 63.200 -0.027 0.000 0.852 211 S HN 0.570 nan 8.310 nan 0.000 0.457 212 A N 0.728 123.539 122.820 -0.016 0.000 2.067 212 A HA -0.181 4.161 4.320 0.037 0.000 0.224 212 A C 2.024 179.600 177.584 -0.013 0.000 1.172 212 A CA 1.563 53.593 52.037 -0.012 0.000 0.662 212 A CB -0.526 18.469 19.000 -0.008 0.000 0.814 212 A HN 0.397 nan 8.150 nan 0.000 0.468 213 L N -1.500 119.713 121.223 -0.017 0.000 2.187 213 L HA 0.072 4.434 4.340 0.037 0.000 0.197 213 L C 2.694 179.549 176.870 -0.024 0.000 1.090 213 L CA 1.973 56.802 54.840 -0.018 0.000 0.781 213 L CB -1.015 41.033 42.059 -0.019 0.000 0.956 213 L HN 0.398 nan 8.230 nan 0.000 0.463 214 S N -0.068 115.612 115.700 -0.033 0.000 2.404 214 S HA -0.371 4.121 4.470 0.037 0.000 0.230 214 S C 2.395 176.976 174.600 -0.032 0.000 1.046 214 S CA 3.015 61.189 58.200 -0.043 0.000 1.135 214 S CB -0.532 62.635 63.200 -0.056 0.000 1.056 214 S HN 0.463 nan 8.310 nan 0.000 0.426 215 R N 1.321 121.804 120.500 -0.028 0.000 2.259 215 R HA -0.300 4.062 4.340 0.037 0.000 0.247 215 R C 2.335 178.626 176.300 -0.014 0.000 1.114 215 R CA 3.091 59.179 56.100 -0.019 0.000 0.926 215 R CB -2.153 28.136 30.300 -0.017 0.000 0.937 215 R HN 0.818 nan 8.270 nan 0.000 0.434 216 K N 0.043 120.435 120.400 -0.013 0.000 2.059 216 K HA -0.154 4.188 4.320 0.037 0.000 0.212 216 K C 2.304 178.900 176.600 -0.006 0.000 1.050 216 K CA 2.081 58.363 56.287 -0.009 0.000 0.927 216 K CB -0.441 32.055 32.500 -0.008 0.000 0.714 216 K HN 0.582 nan 8.250 nan 0.000 0.447 217 I N 0.471 121.036 120.570 -0.008 0.000 2.044 217 I HA -0.358 3.834 4.170 0.037 0.000 0.234 217 I C 2.191 178.308 176.117 0.001 0.000 1.031 217 I CA 2.040 63.338 61.300 -0.003 0.000 1.305 217 I CB -0.521 37.475 38.000 -0.006 0.000 1.026 217 I HN 0.329 nan 8.210 nan 0.000 0.392 218 A N 0.696 123.516 122.820 -0.001 0.000 1.927 218 A HA -0.325 4.017 4.320 0.037 0.000 0.220 218 A C 2.452 180.038 177.584 0.004 0.000 1.185 218 A CA 2.981 55.020 52.037 0.004 0.000 0.639 218 A CB -1.410 17.590 19.000 0.002 0.000 0.820 218 A HN 0.613 nan 8.150 nan 0.000 0.451 219 K N -1.365 119.035 120.400 0.000 0.000 2.589 219 K HA 0.184 4.526 4.320 0.037 0.000 0.195 219 K C 1.416 178.018 176.600 0.002 0.000 1.040 219 K CA 2.445 58.732 56.287 0.001 0.000 0.950 219 K CB -1.275 31.224 32.500 -0.002 0.000 0.781 219 K HN 0.980 nan 8.250 nan 0.000 0.486 220 E N -2.428 117.775 120.200 0.004 0.000 3.701 220 E HA 0.285 4.657 4.350 0.037 0.000 0.206 220 E C 2.481 179.086 176.600 0.009 0.000 1.229 220 E CA 1.157 57.560 56.400 0.005 0.000 1.573 220 E CB -0.983 28.720 29.700 0.005 0.000 1.449 220 E HN 0.534 nan 8.360 nan 0.000 0.618 221 T N -0.920 113.641 114.554 0.011 0.000 2.542 221 T HA 0.381 4.753 4.350 0.037 0.000 0.257 221 T C 1.926 176.638 174.700 0.020 0.000 1.111 221 T CA 3.712 65.822 62.100 0.017 0.000 1.203 221 T CB -0.432 68.449 68.868 0.022 0.000 0.866 221 T HN 1.437 nan 8.240 nan 0.000 0.399 222 G N -1.757 107.057 108.800 0.023 0.000 4.203 222 G HA2 0.432 4.414 3.960 0.037 0.000 0.197 222 G HA3 0.432 4.414 3.960 0.037 0.000 0.197 222 G C 0.477 175.397 174.900 0.033 0.000 1.112 222 G CA 0.324 45.440 45.100 0.026 0.000 0.856 222 G HN 1.025 nan 8.290 nan 0.000 0.317 223 F N 1.159 121.139 119.950 0.051 0.000 2.321 223 F HA 0.871 5.420 4.527 0.037 0.000 0.318 223 F C 0.845 176.668 175.800 0.037 0.000 1.129 223 F CA -0.604 57.437 58.000 0.068 0.000 1.074 223 F CB -0.008 39.074 39.000 0.136 0.000 1.432 223 F HN 0.893 nan 8.300 nan 0.000 0.502 224 V N 0.555 120.484 119.914 0.026 0.000 2.385 224 V HA 0.632 4.774 4.120 0.037 0.000 0.269 224 V C 0.148 176.162 176.094 -0.133 0.000 1.043 224 V CA -0.438 61.839 62.300 -0.039 0.000 0.906 224 V CB 0.211 32.010 31.823 -0.039 0.000 0.995 224 V HN 1.979 nan 8.190 nan 0.000 0.467 225 V N 7.199 127.029 119.914 -0.139 0.000 2.372 225 V HA 0.606 4.748 4.120 0.037 0.000 0.261 225 V C -1.219 174.717 176.094 -0.264 0.000 1.055 225 V CA -1.768 60.395 62.300 -0.228 0.000 0.930 225 V CB 0.630 32.385 31.823 -0.113 0.000 1.031 225 V HN 0.775 nan 8.190 nan 0.000 0.479 226 P HA 0.336 nan 4.420 nan 0.000 0.274 226 P C 1.287 178.475 177.300 -0.186 0.000 1.256 226 P CA 0.579 63.501 63.100 -0.297 0.000 0.795 226 P CB 0.601 32.065 31.700 -0.393 0.000 1.038 227 F N 0.609 120.485 119.950 -0.123 0.000 2.045 227 F HA -0.292 4.257 4.527 0.037 0.000 0.297 227 F C 1.795 177.556 175.800 -0.065 0.000 1.114 227 F CA 2.794 60.748 58.000 -0.077 0.000 1.207 227 F CB -2.117 36.852 39.000 -0.051 0.000 0.964 227 F HN 0.342 nan 8.300 nan 0.000 0.486 228 D N 0.062 120.425 120.400 -0.062 0.000 2.240 228 D HA 0.236 4.898 4.640 0.037 0.000 0.206 228 D C 2.330 178.610 176.300 -0.033 0.000 0.963 228 D CA 1.367 55.344 54.000 -0.037 0.000 0.863 228 D CB -0.946 39.837 40.800 -0.029 0.000 0.973 228 D HN 0.499 nan 8.370 nan 0.000 0.501 229 L N 1.150 122.344 121.223 -0.049 0.000 2.046 229 L HA 0.169 4.531 4.340 0.037 0.000 0.208 229 L C 2.600 179.447 176.870 -0.037 0.000 1.077 229 L CA 2.273 57.091 54.840 -0.036 0.000 0.747 229 L CB -1.787 40.239 42.059 -0.055 0.000 0.896 229 L HN 0.251 nan 8.230 nan 0.000 0.432 230 A N -1.416 121.370 122.820 -0.057 0.000 1.877 230 A HA -0.272 4.070 4.320 0.037 0.000 0.216 230 A C 2.316 179.882 177.584 -0.029 0.000 1.186 230 A CA 1.897 53.907 52.037 -0.046 0.000 0.620 230 A CB -0.651 18.314 19.000 -0.059 0.000 0.822 230 A HN 0.816 nan 8.150 nan 0.000 0.443 231 Q N -0.880 118.904 119.800 -0.027 0.000 1.935 231 Q HA -0.278 4.084 4.340 0.037 0.000 0.212 231 Q C 2.189 178.183 176.000 -0.010 0.000 1.008 231 Q CA 3.408 59.202 55.803 -0.016 0.000 0.868 231 Q CB -0.584 28.146 28.738 -0.013 0.000 0.946 231 Q HN 0.658 nan 8.270 nan 0.000 0.418 232 E N 0.072 120.267 120.200 -0.008 0.000 2.164 232 E HA -0.312 4.060 4.350 0.037 0.000 0.206 232 E C 1.849 178.447 176.600 -0.002 0.000 1.032 232 E CA 2.159 58.558 56.400 -0.002 0.000 0.832 232 E CB -1.466 28.235 29.700 0.002 0.000 0.742 232 E HN 0.700 nan 8.360 nan 0.000 0.460 233 A N 0.159 122.975 122.820 -0.007 0.000 2.067 233 A HA 0.113 4.455 4.320 0.037 0.000 0.219 233 A C 2.466 180.047 177.584 -0.006 0.000 1.158 233 A CA 1.325 53.359 52.037 -0.005 0.000 0.661 233 A CB -0.322 18.673 19.000 -0.009 0.000 0.801 233 A HN 0.524 nan 8.150 nan 0.000 0.452 234 L N -1.076 120.142 121.223 -0.008 0.000 2.079 234 L HA -0.206 4.156 4.340 0.037 0.000 0.210 234 L C 3.003 179.868 176.870 -0.008 0.000 1.081 234 L CA 1.706 56.541 54.840 -0.009 0.000 0.752 234 L CB -0.507 41.546 42.059 -0.010 0.000 0.896 234 L HN 0.561 nan 8.230 nan 0.000 0.433 235 S N -2.144 113.553 115.700 -0.005 0.000 2.506 235 S HA 0.262 4.754 4.470 0.037 0.000 0.219 235 S C 0.684 175.284 174.600 -0.000 0.000 1.031 235 S CA 0.587 58.785 58.200 -0.003 0.000 0.911 235 S CB -0.043 63.156 63.200 -0.001 0.000 0.812 235 S HN 0.572 nan 8.310 nan 0.000 0.497 236 H N 0.284 119.355 119.070 0.002 0.000 3.123 236 H HA 0.685 5.263 4.556 0.037 0.000 0.346 236 H C -3.490 171.842 175.328 0.006 0.000 1.138 236 H CA -1.540 54.511 56.048 0.005 0.000 1.273 236 H CB 0.075 29.841 29.762 0.007 0.000 1.926 236 H HN 0.096 nan 8.280 nan 0.000 0.524 237 P HA 0.374 nan 4.420 nan 0.000 0.271 237 P C -0.188 177.122 177.300 0.017 0.000 1.233 237 P CA 0.148 63.255 63.100 0.011 0.000 0.795 237 P CB 0.742 32.449 31.700 0.012 0.000 0.936 241 R N 2.015 122.299 120.500 -0.359 0.000 3.591 241 R HA 0.285 4.647 4.340 0.037 0.000 0.323 241 R C 0.566 176.801 176.300 -0.110 0.000 1.141 241 R CA 1.935 57.859 56.100 -0.294 0.000 0.834 241 R CB -3.137 26.978 30.300 -0.309 0.000 1.453 241 R HN 2.571 nan 8.270 nan 0.000 0.479 242 Q N -3.240 116.519 119.800 -0.069 0.000 2.439 242 Q HA 0.382 4.744 4.340 0.037 0.000 0.325 242 Q C 0.470 176.471 176.000 0.001 0.000 1.372 242 Q CA 2.809 58.598 55.803 -0.024 0.000 0.909 242 Q CB -2.965 25.756 28.738 -0.027 0.000 1.167 242 Q HN 2.827 nan 8.270 nan 0.000 0.418 243 K N 0.424 120.841 120.400 0.028 0.000 2.613 243 K HA 0.689 5.031 4.320 0.037 0.000 0.248 243 K C -0.245 176.392 176.600 0.061 0.000 0.959 243 K CA -0.074 56.242 56.287 0.048 0.000 0.855 243 K CB 1.572 34.114 32.500 0.070 0.000 1.143 243 K HN 0.898 nan 8.250 nan 0.000 0.437 244 Q N 1.705 121.530 119.800 0.041 0.000 2.963 244 Q HA 0.531 4.893 4.340 0.037 0.000 0.262 244 Q C -0.415 175.604 176.000 0.032 0.000 1.318 244 Q CA -0.034 55.791 55.803 0.036 0.000 1.089 244 Q CB 0.434 29.187 28.738 0.025 0.000 1.424 244 Q HN 0.807 nan 8.270 nan 0.000 0.560 245 V N 0.922 120.859 119.914 0.038 0.000 2.333 245 V HA 0.899 5.041 4.120 0.037 0.000 0.274 245 V C 0.472 176.577 176.094 0.018 0.000 1.028 245 V CA 0.318 62.634 62.300 0.027 0.000 0.851 245 V CB 1.014 32.856 31.823 0.031 0.000 1.000 245 V HN 0.575 nan 8.190 nan 0.000 0.456 246 G N 2.617 111.424 108.800 0.012 0.000 2.337 246 G HA2 0.743 4.725 3.960 0.037 0.000 0.310 246 G HA3 0.743 4.725 3.960 0.037 0.000 0.310 246 G C -0.404 174.499 174.900 0.005 0.000 1.534 246 G CA 0.067 45.171 45.100 0.006 0.000 0.982 246 G HN 2.784 nan 8.290 nan 0.000 0.672 247 G N 0.414 109.215 108.800 0.002 0.000 2.249 247 G HA2 0.581 4.563 3.960 0.037 0.000 0.252 247 G HA3 0.581 4.563 3.960 0.037 0.000 0.252 247 G C -1.460 173.439 174.900 -0.001 0.000 1.697 247 G CA 0.453 45.553 45.100 0.001 0.000 0.916 247 G HN 0.687 nan 8.290 nan 0.000 0.725 248 P HA -0.212 nan 4.420 nan 0.000 0.222 248 P C 2.009 179.305 177.300 -0.006 0.000 1.155 248 P CA 2.983 66.080 63.100 -0.005 0.000 0.890 248 P CB 0.163 31.859 31.700 -0.005 0.000 0.790 249 E N -0.685 119.512 120.200 -0.004 0.000 2.150 249 E HA -0.053 4.319 4.350 0.037 0.000 0.193 249 E C 2.265 178.863 176.600 -0.003 0.000 0.985 249 E CA 1.517 57.914 56.400 -0.004 0.000 0.814 249 E CB -1.753 27.946 29.700 -0.002 0.000 0.752 249 E HN 0.268 nan 8.360 nan 0.000 0.466 250 V N 0.786 120.698 119.914 -0.003 0.000 2.295 250 V HA 0.051 4.193 4.120 0.037 0.000 0.246 250 V C 2.837 178.928 176.094 -0.005 0.000 1.049 250 V CA 3.267 65.566 62.300 -0.003 0.000 1.024 250 V CB -1.235 30.587 31.823 -0.002 0.000 0.648 250 V HN 0.590 nan 8.190 nan 0.000 0.447 251 S N 0.689 116.385 115.700 -0.006 0.000 2.507 251 S HA 0.152 4.645 4.470 0.037 0.000 0.235 251 S C 2.065 176.659 174.600 -0.011 0.000 0.988 251 S CA 1.533 59.728 58.200 -0.009 0.000 0.944 251 S CB -0.847 62.347 63.200 -0.010 0.000 0.762 251 S HN 0.997 nan 8.310 nan 0.000 0.526 252 G N 2.081 110.875 108.800 -0.010 0.000 2.604 252 G HA2 -0.120 3.862 3.960 0.037 0.000 0.216 252 G HA3 -0.120 3.862 3.960 0.037 0.000 0.216 252 G C -0.437 174.458 174.900 -0.010 0.000 1.265 252 G CA 1.223 46.316 45.100 -0.012 0.000 0.804 252 G HN 0.446 nan 8.290 nan 0.000 0.579 253 P HA -0.183 nan 4.420 nan 0.000 0.220 253 P C 1.807 179.105 177.300 -0.003 0.000 1.149 253 P CA 2.492 65.590 63.100 -0.004 0.000 0.829 253 P CB -0.366 31.332 31.700 -0.003 0.000 0.772 254 I N -2.252 118.315 120.570 -0.005 0.000 2.364 254 I HA -0.046 4.146 4.170 0.037 0.000 0.241 254 I C 2.460 178.574 176.117 -0.005 0.000 1.082 254 I CA 1.225 62.522 61.300 -0.005 0.000 1.401 254 I CB -1.741 36.255 38.000 -0.006 0.000 1.126 254 I HN -0.151 nan 8.210 nan 0.000 0.429 255 L N -0.298 120.918 121.223 -0.012 0.000 2.217 255 L HA -0.135 4.227 4.340 0.037 0.000 0.211 255 L C 2.544 179.401 176.870 -0.022 0.000 1.107 255 L CA 1.673 56.501 54.840 -0.019 0.000 0.783 255 L CB -0.420 41.621 42.059 -0.030 0.000 0.919 255 L HN 0.662 nan 8.230 nan 0.000 0.442 256 E N 0.463 120.653 120.200 -0.017 0.000 2.106 256 E HA -0.239 4.133 4.350 0.037 0.000 0.192 256 E C 1.997 178.602 176.600 0.007 0.000 0.984 256 E CA 1.439 57.833 56.400 -0.011 0.000 0.806 256 E CB 0.047 29.743 29.700 -0.008 0.000 0.750 256 E HN 0.637 nan 8.360 nan 0.000 0.458 257 D N 1.080 121.485 120.400 0.009 0.000 2.085 257 D HA -0.149 4.513 4.640 0.037 0.000 0.199 257 D C 1.933 178.250 176.300 0.029 0.000 0.981 257 D CA 1.219 55.230 54.000 0.018 0.000 0.834 257 D CB -0.787 40.020 40.800 0.012 0.000 0.992 257 D HN 0.103 nan 8.370 nan 0.000 0.457 258 L N 0.947 122.185 121.223 0.025 0.000 2.010 258 L HA -0.128 4.234 4.340 0.037 0.000 0.219 258 L C 2.864 179.774 176.870 0.068 0.000 1.077 258 L CA 2.920 57.783 54.840 0.039 0.000 0.773 258 L CB -1.078 40.996 42.059 0.025 0.000 0.892 258 L HN 0.345 nan 8.230 nan 0.000 0.436 259 A N -1.041 121.808 122.820 0.049 0.000 1.902 259 A HA -0.229 4.113 4.320 0.037 0.000 0.217 259 A C 2.104 179.774 177.584 0.143 0.000 1.181 259 A CA 1.963 54.048 52.037 0.080 0.000 0.623 259 A CB -0.779 18.204 19.000 -0.028 0.000 0.818 259 A HN 0.620 nan 8.150 nan 0.000 0.443 260 N N -0.386 118.366 118.700 0.087 0.000 2.062 260 N HA -0.100 4.662 4.740 0.037 0.000 0.191 260 N C 1.793 177.354 175.510 0.085 0.000 1.042 260 N CA 1.420 54.520 53.050 0.084 0.000 0.845 260 N CB -0.484 38.033 38.487 0.051 0.000 1.024 260 N HN 0.480 nan 8.380 nan 0.000 0.424 261 R N 0.473 121.013 120.500 0.068 0.000 2.191 261 R HA -0.215 4.147 4.340 0.037 0.000 0.248 261 R C 2.159 178.509 176.300 0.083 0.000 1.127 261 R CA 1.773 57.910 56.100 0.063 0.000 0.943 261 R CB -0.987 29.345 30.300 0.053 0.000 0.891 261 R HN 0.216 nan 8.270 nan 0.000 0.439 262 I N 0.523 121.164 120.570 0.119 0.000 2.118 262 I HA -0.327 3.865 4.170 0.037 0.000 0.241 262 I C 2.369 178.555 176.117 0.115 0.000 1.070 262 I CA 1.718 63.099 61.300 0.137 0.000 1.327 262 I CB -0.262 37.874 38.000 0.227 0.000 1.034 262 I HN 0.150 nan 8.210 nan 0.000 0.405 263 I N -0.220 120.446 120.570 0.160 0.000 2.099 263 I HA -0.277 3.915 4.170 0.037 0.000 0.239 263 I C 2.523 178.686 176.117 0.076 0.000 1.066 263 I CA 1.232 62.606 61.300 0.123 0.000 1.324 263 I CB -0.627 37.475 38.000 0.170 0.000 1.037 263 I HN 0.204 nan 8.210 nan 0.000 0.401 264 E N 1.177 121.418 120.200 0.068 0.000 2.035 264 E HA -0.259 4.113 4.350 0.037 0.000 0.204 264 E C 1.904 178.521 176.600 0.028 0.000 1.025 264 E CA 1.860 58.285 56.400 0.041 0.000 0.835 264 E CB -0.997 28.723 29.700 0.033 0.000 0.764 264 E HN 0.536 nan 8.360 nan 0.000 0.457 265 N N 0.371 119.090 118.700 0.031 0.000 2.242 265 N HA -0.179 4.583 4.740 0.037 0.000 0.191 265 N C 1.898 177.409 175.510 0.003 0.000 1.005 265 N CA 1.231 54.285 53.050 0.008 0.000 0.877 265 N CB -0.261 38.246 38.487 0.034 0.000 0.983 265 N HN 0.189 nan 8.380 nan 0.000 0.439 266 I N -0.070 120.548 120.570 0.080 0.000 2.353 266 I HA -0.140 4.052 4.170 0.037 0.000 0.248 266 I C 2.194 178.356 176.117 0.074 0.000 1.119 266 I CA 0.782 62.176 61.300 0.157 0.000 1.417 266 I CB -0.027 38.047 38.000 0.123 0.000 1.078 266 I HN 0.016 nan 8.210 nan 0.000 0.421 267 R N 0.548 121.069 120.500 0.035 0.000 2.092 267 R HA -0.066 4.296 4.340 0.037 0.000 0.231 267 R C 2.273 178.565 176.300 -0.013 0.000 1.119 267 R CA 1.077 57.189 56.100 0.020 0.000 0.970 267 R CB -0.375 29.937 30.300 0.020 0.000 0.864 267 R HN 0.275 nan 8.270 nan 0.000 0.440 268 L N 0.440 121.639 121.223 -0.041 0.000 2.012 268 L HA -0.262 4.100 4.340 0.037 0.000 0.210 268 L C 1.381 178.170 176.870 -0.135 0.000 1.073 268 L CA 1.641 56.433 54.840 -0.080 0.000 0.748 268 L CB -0.195 41.808 42.059 -0.094 0.000 0.891 268 L HN 0.259 nan 8.230 nan 0.000 0.431 269 N N -1.143 117.421 118.700 -0.227 0.000 2.251 269 N HA -0.063 4.699 4.740 0.037 0.000 0.181 269 N C 1.721 177.162 175.510 -0.115 0.000 1.019 269 N CA 0.886 53.726 53.050 -0.350 0.000 0.862 269 N CB 0.062 37.906 38.487 -1.073 0.000 0.992 269 N HN 0.196 nan 8.380 nan 0.000 0.429 270 L N -0.201 121.024 121.223 0.003 0.000 2.145 270 L HA 0.177 4.539 4.340 0.037 0.000 0.201 270 L C 0.692 177.592 176.870 0.050 0.000 1.075 270 L CA 0.336 55.226 54.840 0.083 0.000 0.773 270 L CB 0.046 42.185 42.059 0.133 0.000 0.936 270 L HN 0.162 nan 8.230 nan 0.000 0.451 271 R N -1.845 118.672 120.500 0.028 0.000 3.819 271 R HA -0.259 4.103 4.340 0.037 0.000 0.488 271 R C 1.269 177.584 176.300 0.025 0.000 0.241 271 R CA 0.415 56.526 56.100 0.017 0.000 1.530 271 R CB -1.745 28.557 30.300 0.004 0.000 1.019 271 R HN 0.390 nan 8.270 nan 0.000 0.557 272 G N 0.777 109.587 108.800 0.016 0.000 2.888 272 G HA2 -0.396 3.586 3.960 0.037 0.000 0.231 272 G HA3 -0.396 3.586 3.960 0.037 0.000 0.231 272 G C 0.941 175.853 174.900 0.020 0.000 1.113 272 G CA 1.792 46.901 45.100 0.014 0.000 0.745 272 G HN 0.643 nan 8.290 nan 0.000 0.647 273 E N 0.048 120.272 120.200 0.039 0.000 2.463 273 E HA -0.031 4.341 4.350 0.037 0.000 0.201 273 E C 2.418 179.061 176.600 0.072 0.000 1.045 273 E CA 0.443 56.881 56.400 0.063 0.000 0.872 273 E CB -0.436 29.336 29.700 0.121 0.000 0.797 273 E HN 0.377 nan 8.360 nan 0.000 0.538 274 V N 1.568 121.516 119.914 0.057 0.000 3.186 274 V HA -0.177 3.965 4.120 0.037 0.000 0.270 274 V C 0.825 176.937 176.094 0.029 0.000 1.149 274 V CA 1.460 63.792 62.300 0.052 0.000 1.160 274 V CB -0.171 31.678 31.823 0.043 0.000 0.758 274 V HN 0.035 nan 8.190 nan 0.000 0.516 275 D N 0.155 120.560 120.400 0.008 0.000 2.305 275 D HA 0.012 4.674 4.640 0.037 0.000 0.206 275 D C 2.071 178.343 176.300 -0.047 0.000 0.974 275 D CA 0.541 54.532 54.000 -0.015 0.000 0.871 275 D CB -0.070 40.718 40.800 -0.021 0.000 0.947 275 D HN 0.505 nan 8.370 nan 0.000 0.516 276 R N 0.226 120.676 120.500 -0.083 0.000 2.313 276 R HA 0.149 4.511 4.340 0.037 0.000 0.199 276 R C 0.290 176.533 176.300 -0.095 0.000 0.958 276 R CA -0.044 55.941 56.100 -0.191 0.000 1.047 276 R CB 0.436 30.426 30.300 -0.516 0.000 0.955 276 R HN -0.073 nan 8.270 nan 0.000 0.481 277 V N 2.114 122.035 119.914 0.011 0.000 2.427 277 V HA -0.017 4.125 4.120 0.037 0.000 0.268 277 V C 1.478 177.595 176.094 0.039 0.000 1.046 277 V CA 0.548 62.891 62.300 0.070 0.000 0.970 277 V CB 1.343 33.210 31.823 0.074 0.000 1.001 277 V HN 0.375 nan 8.190 nan 0.000 0.476 278 T N 1.385 115.968 114.554 0.048 0.000 3.023 278 T HA 0.153 4.525 4.350 0.037 0.000 0.249 278 T C 0.586 175.306 174.700 0.032 0.000 1.050 278 T CA 0.415 62.533 62.100 0.030 0.000 1.088 278 T CB 0.309 69.192 68.868 0.025 0.000 0.946 278 T HN 0.558 nan 8.240 nan 0.000 0.480 279 S N 0.633 116.357 115.700 0.039 0.000 2.547 279 S HA 0.707 5.199 4.470 0.037 0.000 0.281 279 S C -1.243 173.373 174.600 0.026 0.000 1.118 279 S CA -0.895 57.323 58.200 0.030 0.000 0.947 279 S CB 1.974 65.189 63.200 0.024 0.000 1.053 279 S HN 0.348 nan 8.310 nan 0.000 0.482 280 L N 2.948 124.187 121.223 0.026 0.000 2.346 280 L HA 0.624 4.986 4.340 0.037 0.000 0.276 280 L C -1.089 175.800 176.870 0.031 0.000 1.006 280 L CA -0.692 54.161 54.840 0.021 0.000 0.817 280 L CB 1.464 43.547 42.059 0.039 0.000 1.272 280 L HN 0.693 nan 8.230 nan 0.000 0.421 281 I N 4.381 124.962 120.570 0.018 0.000 2.867 281 I HA 0.214 4.406 4.170 0.037 0.000 0.282 281 I C -2.372 173.769 176.117 0.040 0.000 1.437 281 I CA -1.410 59.907 61.300 0.028 0.000 0.918 281 I CB 1.538 39.541 38.000 0.006 0.000 1.612 281 I HN 0.274 nan 8.210 nan 0.000 0.592 282 P HA 0.154 nan 4.420 nan 0.000 0.261 282 P C -0.143 177.215 177.300 0.097 0.000 1.183 282 P CA 0.519 63.721 63.100 0.169 0.000 0.761 282 P CB 0.628 32.469 31.700 0.236 0.000 0.785 283 V N 1.482 121.441 119.914 0.076 0.000 3.165 283 V HA 0.888 5.030 4.120 0.037 0.000 0.309 283 V C 0.350 176.459 176.094 0.024 0.000 1.267 283 V CA -0.714 61.606 62.300 0.032 0.000 1.067 283 V CB 1.401 33.222 31.823 -0.003 0.000 1.082 283 V HN 0.798 nan 8.190 nan 0.000 0.451 284 G N -0.888 107.904 108.800 -0.013 0.000 2.787 284 G HA2 0.302 4.284 3.960 0.037 0.000 0.685 284 G HA3 0.302 4.284 3.960 0.037 0.000 0.685 284 G C 0.913 175.806 174.900 -0.011 0.000 1.437 284 G CA 0.399 45.482 45.100 -0.028 0.000 0.872 284 G HN 2.525 nan 8.290 nan 0.000 0.566 285 G N -0.180 108.602 108.800 -0.031 0.000 2.475 285 G HA2 0.167 4.149 3.960 0.037 0.000 0.220 285 G HA3 0.167 4.149 3.960 0.037 0.000 0.220 285 G C 1.806 176.708 174.900 0.003 0.000 1.125 285 G CA 1.857 46.946 45.100 -0.019 0.000 0.755 285 G HN 1.921 nan 8.290 nan 0.000 0.565 286 G N -0.070 108.739 108.800 0.016 0.000 2.623 286 G HA2 0.074 4.056 3.960 0.037 0.000 0.214 286 G HA3 0.074 4.056 3.960 0.037 0.000 0.214 286 G C 1.872 176.777 174.900 0.008 0.000 1.138 286 G CA 0.974 46.085 45.100 0.018 0.000 0.794 286 G HN 0.385 nan 8.290 nan 0.000 0.535 287 S N 1.285 117.005 115.700 0.033 0.000 2.447 287 S HA -0.089 4.403 4.470 0.037 0.000 0.233 287 S C 2.045 176.633 174.600 -0.020 0.000 1.006 287 S CA 0.423 58.634 58.200 0.019 0.000 0.957 287 S CB -0.185 63.065 63.200 0.084 0.000 0.773 287 S HN 0.323 nan 8.310 nan 0.000 0.507 288 N N 1.231 119.928 118.700 -0.006 0.000 2.588 288 N HA -0.008 4.754 4.740 0.037 0.000 0.190 288 N C 1.046 176.539 175.510 -0.028 0.000 1.094 288 N CA 0.752 53.797 53.050 -0.010 0.000 0.921 288 N CB -0.192 38.298 38.487 0.004 0.000 0.959 288 N HN 0.475 nan 8.380 nan 0.000 0.448 289 L N -1.610 119.583 121.223 -0.051 0.000 2.678 289 L HA 0.310 4.672 4.340 0.037 0.000 0.211 289 L C 0.915 177.720 176.870 -0.108 0.000 1.043 289 L CA 0.007 54.811 54.840 -0.060 0.000 0.881 289 L CB -0.038 41.994 42.059 -0.046 0.000 1.361 289 L HN -0.062 nan 8.230 nan 0.000 0.484 290 I N -1.596 118.875 120.570 -0.165 0.000 3.654 290 I HA 0.543 4.735 4.170 0.037 0.000 0.337 290 I C 1.342 177.126 176.117 -0.555 0.000 1.568 290 I CA -0.283 60.833 61.300 -0.306 0.000 1.115 290 I CB 0.202 38.032 38.000 -0.282 0.000 1.300 290 I HN 0.036 nan 8.210 nan 0.000 0.471 291 G N 0.991 109.594 108.800 -0.329 0.000 2.556 291 G HA2 -0.168 3.814 3.960 0.037 0.000 0.215 291 G HA3 -0.168 3.814 3.960 0.037 0.000 0.215 291 G C 1.148 175.880 174.900 -0.279 0.000 1.258 291 G CA 1.034 45.968 45.100 -0.278 0.000 0.811 291 G HN 0.412 nan 8.290 nan 0.000 0.557 292 D N 0.479 120.794 120.400 -0.142 0.000 2.220 292 D HA -0.127 4.535 4.640 0.037 0.000 0.198 292 D C 2.344 178.590 176.300 -0.091 0.000 1.001 292 D CA 0.586 54.541 54.000 -0.077 0.000 0.875 292 D CB -0.101 40.665 40.800 -0.055 0.000 0.921 292 D HN 0.064 nan 8.370 nan 0.000 0.454 293 R N -0.037 120.338 120.500 -0.207 0.000 2.397 293 R HA -0.097 4.265 4.340 0.037 0.000 0.213 293 R C 0.952 177.221 176.300 -0.051 0.000 1.102 293 R CA 0.255 56.252 56.100 -0.172 0.000 1.040 293 R CB -0.387 29.757 30.300 -0.260 0.000 0.844 293 R HN 0.259 nan 8.270 nan 0.000 0.478 294 F N -0.512 119.446 119.950 0.013 0.000 2.653 294 F HA 0.156 4.703 4.527 0.035 0.000 0.304 294 F C 1.944 177.754 175.800 0.017 0.000 1.092 294 F CA -0.874 57.135 58.000 0.016 0.000 1.279 294 F CB 0.025 39.033 39.000 0.014 0.000 1.044 294 F HN 0.042 nan 8.300 nan 0.000 0.564 295 E N 1.264 121.572 120.200 0.179 0.000 2.106 295 E HA -0.220 4.152 4.350 0.037 0.000 0.192 295 E C 2.043 178.698 176.600 0.093 0.000 0.984 295 E CA 1.452 57.919 56.400 0.111 0.000 0.806 295 E CB -0.025 29.716 29.700 0.068 0.000 0.750 295 E HN 0.568 nan 8.360 nan 0.000 0.458 296 E N 0.417 120.674 120.200 0.095 0.000 2.409 296 E HA -0.166 4.206 4.350 0.037 0.000 0.198 296 E C 1.848 178.489 176.600 0.067 0.000 1.024 296 E CA 0.714 57.156 56.400 0.070 0.000 0.861 296 E CB -0.263 29.476 29.700 0.065 0.000 0.788 296 E HN 0.394 nan 8.360 nan 0.000 0.521 297 I N 1.125 121.743 120.570 0.080 0.000 2.286 297 I HA -0.137 4.055 4.170 0.037 0.000 0.248 297 I C 0.917 177.062 176.117 0.045 0.000 1.115 297 I CA 1.075 62.409 61.300 0.057 0.000 1.392 297 I CB -0.039 37.986 38.000 0.042 0.000 1.065 297 I HN 0.254 nan 8.210 nan 0.000 0.418 298 A N 0.972 123.820 122.820 0.047 0.000 2.562 298 A HA 0.483 4.825 4.320 0.037 0.000 0.297 298 A C -2.843 174.764 177.584 0.038 0.000 1.100 298 A CA -0.823 51.237 52.037 0.037 0.000 0.914 298 A CB 0.222 19.242 19.000 0.034 0.000 1.490 298 A HN -0.151 nan 8.150 nan 0.000 0.391 299 P HA 0.525 nan 4.420 nan 0.000 0.284 299 P C 0.925 178.241 177.300 0.027 0.000 1.258 299 P CA 1.046 64.166 63.100 0.034 0.000 0.824 299 P CB 1.353 33.071 31.700 0.030 0.000 1.038 300 G N 1.332 110.148 108.800 0.027 0.000 2.283 300 G HA2 -0.266 3.716 3.960 0.037 0.000 0.280 300 G HA3 -0.266 3.716 3.960 0.037 0.000 0.280 300 G C 0.565 175.478 174.900 0.022 0.000 1.029 300 G CA 0.938 46.051 45.100 0.022 0.000 0.840 300 G HN 0.770 nan 8.290 nan 0.000 0.505 301 T N -3.461 111.109 114.554 0.028 0.000 2.975 301 T HA 0.484 4.856 4.350 0.037 0.000 0.257 301 T C 1.116 175.836 174.700 0.033 0.000 1.003 301 T CA 0.336 62.453 62.100 0.028 0.000 0.932 301 T CB 0.497 69.383 68.868 0.030 0.000 1.087 301 T HN 0.691 nan 8.240 nan 0.000 0.512 302 L N 2.640 123.887 121.223 0.040 0.000 2.536 302 L HA 0.333 4.695 4.340 0.037 0.000 0.294 302 L C -0.465 176.426 176.870 0.035 0.000 1.257 302 L CA 0.419 55.286 54.840 0.046 0.000 0.850 302 L CB 0.565 42.654 42.059 0.050 0.000 1.105 302 L HN 0.150 nan 8.230 nan 0.000 0.517 303 V N 4.733 124.669 119.914 0.037 0.000 2.623 303 V HA 0.406 4.548 4.120 0.037 0.000 0.304 303 V C -0.492 175.621 176.094 0.032 0.000 1.054 303 V CA -1.086 61.231 62.300 0.029 0.000 0.882 303 V CB 1.854 33.693 31.823 0.027 0.000 1.002 303 V HN 0.629 nan 8.190 nan 0.000 0.424 304 K N 5.132 125.547 120.400 0.025 0.000 2.276 304 K HA 0.678 5.020 4.320 0.037 0.000 0.283 304 K C -0.805 175.813 176.600 0.030 0.000 1.044 304 K CA -0.083 56.219 56.287 0.026 0.000 0.944 304 K CB 1.434 33.945 32.500 0.018 0.000 1.012 304 K HN 0.535 nan 8.250 nan 0.000 0.472 305 I N 1.503 122.096 120.570 0.038 0.000 2.644 305 I HA 0.164 4.356 4.170 0.037 0.000 0.291 305 I C -0.039 176.107 176.117 0.049 0.000 1.180 305 I CA -0.796 60.535 61.300 0.052 0.000 1.040 305 I CB 1.984 40.023 38.000 0.065 0.000 1.255 305 I HN 0.466 nan 8.210 nan 0.000 0.422 306 K N 6.160 126.593 120.400 0.054 0.000 2.451 306 K HA 0.247 4.590 4.320 0.037 0.000 0.280 306 K C -2.284 174.345 176.600 0.049 0.000 1.020 306 K CA -0.941 55.373 56.287 0.045 0.000 1.008 306 K CB -0.664 31.862 32.500 0.044 0.000 0.917 306 K HN 0.419 nan 8.250 nan 0.000 0.478 307 P HA -0.315 nan 4.420 nan 0.000 0.218 307 P C 1.234 178.569 177.300 0.058 0.000 1.154 307 P CA 1.792 64.916 63.100 0.041 0.000 0.872 307 P CB 0.348 32.066 31.700 0.029 0.000 0.790 308 E N -0.589 119.643 120.200 0.053 0.000 2.347 308 E HA -0.182 4.190 4.350 0.037 0.000 0.196 308 E C 0.577 177.234 176.600 0.096 0.000 1.008 308 E CA 1.249 57.686 56.400 0.062 0.000 0.852 308 E CB -0.716 28.989 29.700 0.007 0.000 0.783 308 E HN 0.203 nan 8.360 nan 0.000 0.505 309 D N 0.233 120.684 120.400 0.086 0.000 2.339 309 D HA 0.172 4.834 4.640 0.037 0.000 0.217 309 D C 1.597 177.959 176.300 0.103 0.000 1.050 309 D CA 0.087 54.142 54.000 0.093 0.000 0.856 309 D CB 0.278 41.145 40.800 0.112 0.000 0.922 309 D HN 0.210 nan 8.370 nan 0.000 0.518 310 L N -0.212 121.074 121.223 0.105 0.000 2.121 310 L HA -0.009 4.353 4.340 0.037 0.000 0.200 310 L C 2.141 179.014 176.870 0.005 0.000 1.077 310 L CA 0.627 55.498 54.840 0.053 0.000 0.766 310 L CB -0.325 41.762 42.059 0.047 0.000 0.931 310 L HN -0.104 nan 8.230 nan 0.000 0.452 311 Q N -0.474 119.321 119.800 -0.009 0.000 2.376 311 Q HA -0.182 4.180 4.340 0.037 0.000 0.211 311 Q C 1.579 177.354 176.000 -0.375 0.000 0.986 311 Q CA 1.573 57.247 55.803 -0.215 0.000 0.886 311 Q CB -0.004 28.515 28.738 -0.365 0.000 0.927 311 Q HN 0.486 nan 8.270 nan 0.000 0.457 312 F N -1.765 118.095 119.950 -0.149 0.000 2.724 312 F HA 0.288 4.819 4.527 0.006 0.000 0.306 312 F C 2.010 177.589 175.800 -0.368 0.000 1.100 312 F CA 0.057 57.921 58.000 -0.227 0.000 1.255 312 F CB -0.042 38.835 39.000 -0.205 0.000 1.072 312 F HN -0.064 nan 8.300 nan 0.000 0.589 313 A N 1.252 123.958 122.820 -0.190 0.000 1.944 313 A HA -0.368 3.974 4.320 0.037 0.000 0.222 313 A C 1.848 179.220 177.584 -0.353 0.000 1.237 313 A CA 2.904 54.765 52.037 -0.294 0.000 0.668 313 A CB -1.187 17.763 19.000 -0.082 0.000 0.830 313 A HN 0.504 nan 8.150 nan 0.000 0.471 314 N N -0.746 117.721 118.700 -0.389 0.000 2.109 314 N HA 0.091 4.853 4.740 0.037 0.000 0.188 314 N C 2.007 176.875 175.510 -1.070 0.000 1.034 314 N CA 1.320 53.947 53.050 -0.705 0.000 0.846 314 N CB -0.320 37.767 38.487 -0.668 0.000 1.010 314 N HN 0.486 nan 8.380 nan 0.000 0.425 315 A N 0.833 123.261 122.820 -0.654 0.000 1.908 315 A HA -0.116 4.226 4.320 0.037 0.000 0.218 315 A C 2.120 179.558 177.584 -0.243 0.000 1.181 315 A CA 1.126 52.954 52.037 -0.349 0.000 0.627 315 A CB -0.868 18.070 19.000 -0.103 0.000 0.818 315 A HN 0.225 nan 8.150 nan 0.000 0.445 316 L N -0.825 120.215 121.223 -0.305 0.000 2.042 316 L HA -0.152 4.210 4.340 0.037 0.000 0.210 316 L C 2.749 179.540 176.870 -0.133 0.000 1.076 316 L CA 1.226 55.884 54.840 -0.303 0.000 0.749 316 L CB -0.554 41.002 42.059 -0.838 0.000 0.893 316 L HN 0.501 nan 8.230 nan 0.000 0.432 317 G N -1.790 106.905 108.800 -0.175 0.000 2.464 317 G HA2 -0.209 3.773 3.960 0.037 0.000 0.217 317 G HA3 -0.209 3.773 3.960 0.037 0.000 0.217 317 G C 1.206 176.141 174.900 0.057 0.000 1.138 317 G CA 0.140 45.240 45.100 0.001 0.000 0.793 317 G HN 0.203 nan 8.290 nan 0.000 0.539 318 Y N 1.253 121.556 120.300 0.005 0.000 2.133 318 Y HA -0.014 4.564 4.550 0.046 0.000 0.287 318 Y C 3.268 179.174 175.900 0.011 0.000 1.134 318 Y CA 1.174 59.276 58.100 0.002 0.000 1.133 318 Y CB -1.214 37.236 38.460 -0.017 0.000 0.987 318 Y HN 0.266 nan 8.280 nan 0.000 0.502 319 R N 0.777 121.370 120.500 0.154 0.000 2.094 319 R HA -0.201 4.161 4.340 0.037 0.000 0.239 319 R C 1.900 178.252 176.300 0.087 0.000 1.137 319 R CA 2.167 58.323 56.100 0.094 0.000 0.943 319 R CB -1.731 28.608 30.300 0.065 0.000 0.850 319 R HN 0.379 nan 8.270 nan 0.000 0.433 320 D N 0.103 120.560 120.400 0.095 0.000 2.133 320 D HA -0.139 4.523 4.640 0.037 0.000 0.192 320 D C 2.237 178.583 176.300 0.077 0.000 1.001 320 D CA 2.140 56.195 54.000 0.092 0.000 0.844 320 D CB -0.542 40.329 40.800 0.118 0.000 0.944 320 D HN 0.589 nan 8.370 nan 0.000 0.447 321 A N 0.711 123.586 122.820 0.091 0.000 1.908 321 A HA -0.110 4.232 4.320 0.037 0.000 0.218 321 A C 2.314 179.935 177.584 0.062 0.000 1.181 321 A CA 2.514 54.599 52.037 0.079 0.000 0.627 321 A CB -0.847 18.216 19.000 0.104 0.000 0.818 321 A HN 0.258 nan 8.150 nan 0.000 0.445 322 A N -0.210 122.650 122.820 0.066 0.000 1.908 322 A HA -0.196 4.146 4.320 0.037 0.000 0.218 322 A C 1.932 179.539 177.584 0.038 0.000 1.181 322 A CA 1.734 53.799 52.037 0.047 0.000 0.627 322 A CB -0.507 18.521 19.000 0.048 0.000 0.818 322 A HN 0.673 nan 8.150 nan 0.000 0.445 323 E N -0.791 119.434 120.200 0.041 0.000 2.046 323 E HA -0.140 4.232 4.350 0.037 0.000 0.190 323 E C 2.595 179.212 176.600 0.028 0.000 0.982 323 E CA 1.154 57.574 56.400 0.033 0.000 0.800 323 E CB -0.326 29.395 29.700 0.035 0.000 0.756 323 E HN 0.591 nan 8.360 nan 0.000 0.449 324 R N 1.224 121.742 120.500 0.030 0.000 2.154 324 R HA -0.120 4.242 4.340 0.037 0.000 0.248 324 R C 1.723 178.035 176.300 0.021 0.000 1.155 324 R CA 1.835 57.950 56.100 0.024 0.000 0.979 324 R CB -1.765 28.551 30.300 0.026 0.000 0.869 324 R HN 0.323 nan 8.270 nan 0.000 0.452 325 S N 0.000 115.714 115.700 0.023 0.000 2.498 325 S HA 0.000 4.492 4.470 0.037 0.000 0.327 325 S CA 0.000 58.211 58.200 0.018 0.000 1.107 325 S CB 0.000 63.211 63.200 0.019 0.000 0.593 325 S HN 0.000 nan 8.310 nan 0.000 0.517