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 1l0w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRRTHYAGSL RETHVGEEVV LEGWVNRRRD LGGLIFLDLR DREGLVQLVA DATA SEQUENCE HPASPAYATA ERVRPEWVVR AKGLVRLRPE PNPRLATGRV EVELSALEVL DATA SEQUENCE AEAKTPPFPV DAGWRGEEEK EASEELRLKY RYLDLRRRRM QENLRLRHRV DATA SEQUENCE IKAIWDFLDR EGFVQVETPF LTKSTPEGAR DFLVPYRHEP GLFYALPQSP DATA SEQUENCE QLFKQMLMVA GLDRYFQIAR CFRDEDLRAD RQPDFTQLDL EMSFVEVEDV DATA SEQUENCE LELNERLMAH VFREALGVEL PLPFPRLSYE EAMERYGSDK PDLRFGLELK DATA SEQUENCE EVGPLFRQSG FRVFQEAESV KALALPKALS RKEVAELEEV AKRHKAQGLA DATA SEQUENCE WARVEEGGFS GGVAKFLEPV REALLQATEA RPGDTLLFVA GPRKVAATAL DATA SEQUENCE GAVRLRAADL LGLKREGFRF LWVVDFPLLE WDEEEEAWTY MHHPFTSPHP DATA SEQUENCE EDLPLLEKDP GRVRALAYDL VLNGVEVGGG SIRIHDPRLQ ARVFRLLGIG DATA SEQUENCE EEEQREKFGF FLEALEYGAP PHGGIAWGLD RLLALMTGSP SIREVIAFPK DATA SEQUENCE NKEGKDPLTG APSPVPEEQL RELGLMVVRP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.060 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.051 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 2 R N 3.820 124.284 120.500 -0.061 0.000 2.538 2 R HA 0.004 4.344 4.340 0.001 0.000 0.273 2 R C 0.249 176.500 176.300 -0.081 0.000 0.967 2 R CA 0.533 56.588 56.100 -0.074 0.000 1.101 2 R CB 0.036 30.294 30.300 -0.069 0.000 0.908 2 R HN 0.443 nan 8.270 nan 0.000 0.411 3 R N 0.444 120.880 120.500 -0.106 0.000 2.679 3 R HA 0.113 4.453 4.340 0.001 0.000 0.269 3 R C 1.115 177.344 176.300 -0.118 0.000 1.076 3 R CA 0.138 56.173 56.100 -0.109 0.000 1.160 3 R CB 0.239 30.444 30.300 -0.158 0.000 1.054 3 R HN 0.642 nan 8.270 nan 0.000 0.507 4 T N -2.965 111.546 114.554 -0.071 0.000 3.034 4 T HA 0.151 4.501 4.350 0.001 0.000 0.248 4 T C 0.000 174.455 174.700 -0.408 0.000 1.040 4 T CA 0.170 62.177 62.100 -0.155 0.000 1.107 4 T CB -0.176 68.720 68.868 0.046 0.000 0.932 4 T HN 0.740 nan 8.240 nan 0.000 0.474 5 H N -1.460 117.539 119.070 -0.117 0.000 3.008 5 H HA 0.546 5.102 4.556 0.001 0.000 0.354 5 H C -1.702 173.554 175.328 -0.119 0.000 1.252 5 H CA -1.301 54.683 56.048 -0.106 0.000 1.117 5 H CB 0.630 30.315 29.762 -0.128 0.000 1.857 5 H HN 0.104 nan 8.280 nan 0.000 0.547 6 Y N 0.347 120.700 120.300 0.089 0.000 2.346 6 Y HA 0.278 4.829 4.550 0.001 0.000 0.330 6 Y C 1.564 177.481 175.900 0.029 0.000 1.178 6 Y CA 0.335 58.464 58.100 0.048 0.000 1.331 6 Y CB 1.079 39.567 38.460 0.046 0.000 1.253 6 Y HN 0.875 nan 8.280 nan 0.000 0.529 7 A N 2.758 125.687 122.820 0.181 0.000 1.873 7 A HA -0.200 4.121 4.320 0.001 0.000 0.218 7 A C 2.232 179.860 177.584 0.073 0.000 1.193 7 A CA 2.002 54.089 52.037 0.083 0.000 0.629 7 A CB -1.365 17.671 19.000 0.060 0.000 0.826 7 A HN 1.023 nan 8.150 nan 0.000 0.447 8 G N -0.697 108.163 108.800 0.101 0.000 2.882 8 G HA2 0.111 4.071 3.960 0.001 0.000 0.206 8 G HA3 0.111 4.071 3.960 0.001 0.000 0.206 8 G C 1.386 176.334 174.900 0.080 0.000 1.155 8 G CA 1.186 46.336 45.100 0.084 0.000 0.800 8 G HN 0.846 nan 8.290 nan 0.000 0.524 9 S N -0.512 115.241 115.700 0.088 0.000 2.535 9 S HA 0.284 4.754 4.470 0.001 0.000 0.214 9 S C 0.699 175.309 174.600 0.017 0.000 0.980 9 S CA -0.492 57.760 58.200 0.086 0.000 0.907 9 S CB 0.060 63.354 63.200 0.156 0.000 0.790 9 S HN -0.033 nan 8.310 nan 0.000 0.510 10 L N 2.537 123.711 121.223 -0.081 0.000 2.490 10 L HA 0.478 4.819 4.340 0.001 0.000 0.274 10 L C 0.541 177.455 176.870 0.073 0.000 1.201 10 L CA 0.852 55.591 54.840 -0.168 0.000 0.869 10 L CB -0.147 41.810 42.059 -0.170 0.000 1.123 10 L HN 0.280 nan 8.230 nan 0.000 0.484 11 R N 0.331 121.013 120.500 0.304 0.000 2.869 11 R HA 0.251 4.592 4.340 0.001 0.000 0.263 11 R C 0.769 177.171 176.300 0.170 0.000 1.066 11 R CA -0.693 55.538 56.100 0.218 0.000 0.960 11 R CB 0.904 31.322 30.300 0.197 0.000 1.221 11 R HN 0.654 nan 8.270 nan 0.000 0.474 12 E N -0.538 119.711 120.200 0.081 0.000 2.267 12 E HA -0.173 4.177 4.350 0.001 0.000 0.197 12 E C 0.509 177.114 176.600 0.008 0.000 0.998 12 E CA 1.902 58.328 56.400 0.043 0.000 0.830 12 E CB 0.169 29.886 29.700 0.029 0.000 0.751 12 E HN 0.700 nan 8.360 nan 0.000 0.491 13 T N -2.942 111.587 114.554 -0.042 0.000 3.072 13 T HA -0.074 4.277 4.350 0.001 0.000 0.266 13 T C 0.907 175.456 174.700 -0.252 0.000 1.127 13 T CA 0.980 62.988 62.100 -0.154 0.000 1.107 13 T CB -0.330 68.408 68.868 -0.217 0.000 0.910 13 T HN 0.310 nan 8.240 nan 0.000 0.513 14 H N 0.175 119.236 119.070 -0.016 0.000 2.551 14 H HA 0.445 5.001 4.556 0.001 0.000 0.271 14 H C 0.351 175.653 175.328 -0.042 0.000 0.984 14 H CA -0.459 55.563 56.048 -0.044 0.000 1.164 14 H CB 0.042 29.730 29.762 -0.123 0.000 1.437 14 H HN 0.185 nan 8.280 nan 0.000 0.550 15 V N 1.056 121.000 119.914 0.050 0.000 2.617 15 V HA 0.099 4.220 4.120 0.001 0.000 0.304 15 V C 1.565 177.670 176.094 0.019 0.000 1.040 15 V CA 1.547 63.864 62.300 0.028 0.000 1.149 15 V CB 0.310 32.144 31.823 0.017 0.000 0.914 15 V HN 0.844 nan 8.190 nan 0.000 0.487 16 G N 3.521 112.329 108.800 0.014 0.000 2.254 16 G HA2 -0.190 3.771 3.960 0.001 0.000 0.225 16 G HA3 -0.190 3.771 3.960 0.001 0.000 0.225 16 G C 0.098 175.008 174.900 0.016 0.000 1.003 16 G CA 0.104 45.210 45.100 0.011 0.000 0.622 16 G HN 0.656 nan 8.290 nan 0.000 0.507 17 E N 0.756 120.973 120.200 0.028 0.000 2.373 17 E HA 0.483 4.833 4.350 0.001 0.000 0.263 17 E C -0.188 176.423 176.600 0.019 0.000 1.073 17 E CA -0.337 56.088 56.400 0.040 0.000 0.894 17 E CB 0.908 30.659 29.700 0.084 0.000 1.008 17 E HN 0.252 nan 8.360 nan 0.000 0.420 18 E N 1.516 121.733 120.200 0.028 0.000 2.200 18 E HA 0.269 4.619 4.350 0.001 0.000 0.283 18 E C -1.524 175.094 176.600 0.031 0.000 1.015 18 E CA -0.375 56.033 56.400 0.014 0.000 0.819 18 E CB 1.319 31.026 29.700 0.013 0.000 1.081 18 E HN 0.174 nan 8.360 nan 0.000 0.397 19 V N 4.488 124.405 119.914 0.005 0.000 2.960 19 V HA 0.643 4.763 4.120 0.001 0.000 0.315 19 V C -1.255 174.845 176.094 0.011 0.000 1.087 19 V CA -0.737 61.578 62.300 0.025 0.000 0.982 19 V CB 2.238 34.024 31.823 -0.061 0.000 1.039 19 V HN 0.477 nan 8.190 nan 0.000 0.437 20 V N 6.379 126.311 119.914 0.030 0.000 2.443 20 V HA 0.541 4.662 4.120 0.001 0.000 0.293 20 V C -0.491 175.595 176.094 -0.013 0.000 1.021 20 V CA -0.410 61.885 62.300 -0.007 0.000 0.848 20 V CB 1.387 33.199 31.823 -0.019 0.000 0.998 20 V HN 0.693 nan 8.190 nan 0.000 0.424 21 L N 4.183 125.386 121.223 -0.034 0.000 2.354 21 L HA 0.736 5.076 4.340 0.001 0.000 0.269 21 L C -0.401 176.429 176.870 -0.067 0.000 1.005 21 L CA -0.638 54.177 54.840 -0.042 0.000 0.819 21 L CB 2.535 44.575 42.059 -0.033 0.000 1.311 21 L HN 0.555 nan 8.230 nan 0.000 0.423 22 E N 0.586 120.737 120.200 -0.082 0.000 2.256 22 E HA 0.733 5.083 4.350 0.001 0.000 0.268 22 E C -0.501 176.016 176.600 -0.139 0.000 0.877 22 E CA -0.488 55.834 56.400 -0.129 0.000 0.757 22 E CB 2.707 32.318 29.700 -0.148 0.000 1.183 22 E HN 0.798 nan 8.360 nan 0.000 0.418 23 G N 1.937 110.604 108.800 -0.223 0.000 2.348 23 G HA2 0.206 4.167 3.960 0.001 0.000 0.296 23 G HA3 0.206 4.167 3.960 0.001 0.000 0.296 23 G C -1.768 172.943 174.900 -0.314 0.000 1.258 23 G CA -0.835 44.144 45.100 -0.203 0.000 0.868 23 G HN 0.314 nan 8.290 nan 0.000 0.488 24 W N 0.286 121.559 121.300 -0.045 0.000 2.570 24 W HA 0.542 5.203 4.660 0.001 0.000 0.337 24 W C -0.301 176.202 176.519 -0.027 0.000 1.067 24 W CA -0.629 56.704 57.345 -0.019 0.000 1.229 24 W CB 2.010 31.446 29.460 -0.041 0.000 1.355 24 W HN 0.248 nan 8.180 nan 0.000 0.555 25 V N 3.025 123.058 119.914 0.198 0.000 2.405 25 V HA -0.116 4.004 4.120 0.001 0.000 0.264 25 V C 0.867 177.021 176.094 0.100 0.000 1.048 25 V CA 0.295 62.657 62.300 0.102 0.000 0.966 25 V CB 0.495 32.346 31.823 0.046 0.000 1.015 25 V HN 0.556 nan 8.190 nan 0.000 0.477 26 N N 4.039 122.776 118.700 0.062 0.000 2.250 26 N HA 0.020 4.761 4.740 0.001 0.000 0.181 26 N C 0.716 176.254 175.510 0.047 0.000 1.017 26 N CA 0.854 53.932 53.050 0.047 0.000 0.866 26 N CB 0.279 38.779 38.487 0.022 0.000 0.985 26 N HN 0.740 nan 8.380 nan 0.000 0.429 27 R N -0.758 119.762 120.500 0.033 0.000 2.664 27 R HA 0.219 4.560 4.340 0.001 0.000 0.260 27 R C -1.800 174.505 176.300 0.008 0.000 1.062 27 R CA -0.805 55.306 56.100 0.020 0.000 0.902 27 R CB 0.951 31.272 30.300 0.035 0.000 1.258 27 R HN 0.162 nan 8.270 nan 0.000 0.465 28 R N 2.629 123.120 120.500 -0.015 0.000 2.621 28 R HA 0.603 4.944 4.340 0.001 0.000 0.292 28 R C -1.131 175.167 176.300 -0.003 0.000 0.969 28 R CA -1.040 55.050 56.100 -0.015 0.000 0.887 28 R CB 2.175 32.429 30.300 -0.075 0.000 1.180 28 R HN 0.468 nan 8.270 nan 0.000 0.450 29 R N 1.638 122.160 120.500 0.036 0.000 2.513 29 R HA 0.220 4.560 4.340 0.001 0.000 0.301 29 R C -1.383 174.949 176.300 0.054 0.000 0.968 29 R CA -0.955 55.152 56.100 0.011 0.000 0.872 29 R CB 2.027 32.300 30.300 -0.044 0.000 1.177 29 R HN 0.631 nan 8.270 nan 0.000 0.444 30 D N 4.337 124.750 120.400 0.023 0.000 2.396 30 D HA 0.093 4.733 4.640 0.001 0.000 0.225 30 D C 0.254 176.576 176.300 0.036 0.000 1.121 30 D CA -0.316 53.718 54.000 0.057 0.000 0.853 30 D CB 1.161 41.978 40.800 0.028 0.000 1.043 30 D HN 0.299 nan 8.370 nan 0.000 0.500 31 L N 2.975 124.239 121.223 0.068 0.000 2.728 31 L HA 0.272 4.612 4.340 0.001 0.000 0.235 31 L C 1.008 177.908 176.870 0.049 0.000 1.197 31 L CA 0.146 54.987 54.840 0.001 0.000 0.992 31 L CB -0.715 41.281 42.059 -0.106 0.000 1.263 31 L HN 0.743 nan 8.230 nan 0.000 0.484 32 G N -0.151 108.694 108.800 0.075 0.000 2.929 32 G HA2 0.066 4.027 3.960 0.001 0.000 0.335 32 G HA3 0.066 4.027 3.960 0.001 0.000 0.335 32 G C 0.834 175.785 174.900 0.085 0.000 1.054 32 G CA 0.136 45.276 45.100 0.066 0.000 1.067 32 G HN 0.699 nan 8.290 nan 0.000 0.472 33 G N -0.988 107.883 108.800 0.118 0.000 2.198 33 G HA2 0.107 4.068 3.960 0.001 0.000 0.260 33 G HA3 0.107 4.068 3.960 0.001 0.000 0.260 33 G C 0.138 175.117 174.900 0.132 0.000 1.025 33 G CA 0.775 45.928 45.100 0.088 0.000 0.769 33 G HN 2.060 nan 8.290 nan 0.000 0.507 34 L N -0.319 121.063 121.223 0.265 0.000 2.676 34 L HA 0.590 4.930 4.340 0.001 0.000 0.262 34 L C -0.596 176.521 176.870 0.412 0.000 0.932 34 L CA -0.589 54.445 54.840 0.324 0.000 0.932 34 L CB 1.468 43.708 42.059 0.302 0.000 1.355 34 L HN 0.143 nan 8.230 nan 0.000 0.421 35 I N 4.495 125.263 120.570 0.329 0.000 2.354 35 I HA 0.420 4.590 4.170 0.001 0.000 0.292 35 I C -0.985 175.258 176.117 0.210 0.000 0.989 35 I CA -0.481 60.964 61.300 0.241 0.000 1.188 35 I CB 1.239 39.225 38.000 -0.024 0.000 1.342 35 I HN 0.343 nan 8.210 nan 0.000 0.457 36 F N 6.571 126.531 119.950 0.016 0.000 2.436 36 F HA 0.573 5.100 4.527 0.001 0.000 0.340 36 F C -0.130 175.663 175.800 -0.012 0.000 1.113 36 F CA -0.776 57.233 58.000 0.016 0.000 1.022 36 F CB 1.263 40.278 39.000 0.024 0.000 1.128 36 F HN 0.126 nan 8.300 nan 0.000 0.466 37 L N 3.628 124.918 121.223 0.111 0.000 2.356 37 L HA 0.447 4.788 4.340 0.001 0.000 0.277 37 L C -0.927 175.978 176.870 0.057 0.000 0.996 37 L CA -0.841 54.031 54.840 0.054 0.000 0.822 37 L CB 1.885 43.941 42.059 -0.005 0.000 1.256 37 L HN 0.419 nan 8.230 nan 0.000 0.413 38 D N 4.353 124.787 120.400 0.058 0.000 2.396 38 D HA 0.219 4.859 4.640 0.001 0.000 0.225 38 D C -0.477 175.843 176.300 0.033 0.000 1.121 38 D CA -0.213 53.819 54.000 0.055 0.000 0.853 38 D CB 2.220 43.059 40.800 0.065 0.000 1.043 38 D HN 0.120 nan 8.370 nan 0.000 0.500 39 L N 2.849 124.085 121.223 0.023 0.000 2.326 39 L HA 0.389 4.729 4.340 0.001 0.000 0.278 39 L C -0.079 176.792 176.870 0.003 0.000 1.092 39 L CA -0.116 54.734 54.840 0.018 0.000 0.810 39 L CB 1.069 43.131 42.059 0.005 0.000 1.153 39 L HN 0.351 nan 8.230 nan 0.000 0.439 40 R N 3.723 124.226 120.500 0.005 0.000 2.686 40 R HA 0.549 4.889 4.340 0.001 0.000 0.286 40 R C -1.595 174.712 176.300 0.010 0.000 0.969 40 R CA -0.332 55.702 56.100 -0.111 0.000 0.898 40 R CB 1.992 32.089 30.300 -0.338 0.000 1.183 40 R HN 0.875 nan 8.270 nan 0.000 0.456 41 D N 1.392 121.735 120.400 -0.095 0.000 2.664 41 D HA 0.133 4.773 4.640 0.001 0.000 0.292 41 D C 0.611 176.836 176.300 -0.124 0.000 1.214 41 D CA -0.791 53.246 54.000 0.062 0.000 0.932 41 D CB 0.582 41.537 40.800 0.259 0.000 1.420 41 D HN 0.569 nan 8.370 nan 0.000 0.471 42 R N -0.332 120.180 120.500 0.020 0.000 2.154 42 R HA -0.140 4.201 4.340 0.001 0.000 0.248 42 R C 0.833 177.172 176.300 0.064 0.000 1.155 42 R CA 1.482 57.601 56.100 0.032 0.000 0.979 42 R CB -0.573 29.735 30.300 0.014 0.000 0.869 42 R HN 0.345 nan 8.270 nan 0.000 0.452 43 E N 0.657 120.846 120.200 -0.019 0.000 2.435 43 E HA 0.158 4.508 4.350 0.001 0.000 0.195 43 E C 0.874 177.554 176.600 0.134 0.000 1.029 43 E CA 0.907 57.314 56.400 0.011 0.000 0.865 43 E CB 0.768 30.419 29.700 -0.082 0.000 0.833 43 E HN 0.601 nan 8.360 nan 0.000 0.510 44 G N 0.024 108.896 108.800 0.120 0.000 2.302 44 G HA2 0.030 3.991 3.960 0.001 0.000 0.276 44 G HA3 0.030 3.991 3.960 0.001 0.000 0.276 44 G C -1.449 173.477 174.900 0.042 0.000 1.316 44 G CA -0.902 44.309 45.100 0.185 0.000 0.988 44 G HN 0.024 nan 8.290 nan 0.000 0.479 45 L N -0.143 121.141 121.223 0.101 0.000 2.331 45 L HA 0.819 5.160 4.340 0.001 0.000 0.275 45 L C -0.092 176.813 176.870 0.057 0.000 1.022 45 L CA -1.222 53.653 54.840 0.058 0.000 0.812 45 L CB 1.876 43.995 42.059 0.099 0.000 1.257 45 L HN 0.507 nan 8.230 nan 0.000 0.435 46 V N 0.917 120.854 119.914 0.039 0.000 2.841 46 V HA 0.316 4.437 4.120 0.001 0.000 0.310 46 V C -0.595 175.520 176.094 0.036 0.000 1.090 46 V CA -0.745 61.574 62.300 0.032 0.000 0.930 46 V CB 1.771 33.599 31.823 0.008 0.000 1.014 46 V HN 0.781 nan 8.190 nan 0.000 0.425 47 Q N 3.028 122.856 119.800 0.046 0.000 2.279 47 Q HA 0.641 4.982 4.340 0.001 0.000 0.256 47 Q C -1.452 174.554 176.000 0.011 0.000 0.937 47 Q CA -0.356 55.485 55.803 0.062 0.000 0.933 47 Q CB 1.098 29.904 28.738 0.112 0.000 1.189 47 Q HN 0.711 nan 8.270 nan 0.000 0.417 48 L N 3.746 124.964 121.223 -0.009 0.000 2.325 48 L HA 0.649 4.990 4.340 0.001 0.000 0.278 48 L C -0.706 176.077 176.870 -0.145 0.000 1.023 48 L CA -1.081 53.718 54.840 -0.067 0.000 0.811 48 L CB 1.842 43.867 42.059 -0.055 0.000 1.249 48 L HN 0.396 nan 8.230 nan 0.000 0.431 49 V N 2.454 122.236 119.914 -0.219 0.000 2.444 49 V HA 0.816 4.936 4.120 0.001 0.000 0.294 49 V C -0.450 175.501 176.094 -0.239 0.000 1.022 49 V CA -0.203 61.881 62.300 -0.361 0.000 0.850 49 V CB 1.596 33.165 31.823 -0.423 0.000 0.992 49 V HN 0.847 nan 8.190 nan 0.000 0.426 50 A N 5.745 128.498 122.820 -0.111 0.000 2.287 50 A HA 0.767 5.087 4.320 0.001 0.000 0.317 50 A C -0.540 177.246 177.584 0.336 0.000 1.220 50 A CA -0.499 51.561 52.037 0.039 0.000 0.835 50 A CB 0.481 19.496 19.000 0.025 0.000 1.180 50 A HN 1.036 nan 8.150 nan 0.000 0.500 51 H N 2.441 121.578 119.070 0.112 0.000 2.533 51 H HA 0.253 4.809 4.556 0.001 0.000 0.343 51 H C -1.728 173.569 175.328 -0.052 0.000 1.160 51 H CA -2.378 53.698 56.048 0.047 0.000 1.218 51 H CB 1.678 31.423 29.762 -0.029 0.000 1.566 51 H HN 0.389 nan 8.280 nan 0.000 0.522 52 P HA -0.161 nan 4.420 nan 0.000 0.221 52 P C 0.969 178.136 177.300 -0.222 0.000 1.145 52 P CA 1.316 64.023 63.100 -0.656 0.000 0.795 52 P CB 0.176 31.531 31.700 -0.575 0.000 0.775 53 A N -1.317 121.463 122.820 -0.068 0.000 2.169 53 A HA 0.054 4.374 4.320 0.001 0.000 0.212 53 A C 1.416 179.005 177.584 0.008 0.000 1.153 53 A CA 0.401 52.426 52.037 -0.020 0.000 0.756 53 A CB -0.728 18.277 19.000 0.008 0.000 0.813 53 A HN 0.203 nan 8.150 nan 0.000 0.471 54 S N 0.201 115.923 115.700 0.036 0.000 2.562 54 S HA 0.377 4.848 4.470 0.001 0.000 0.275 54 S C -1.264 173.373 174.600 0.063 0.000 1.281 54 S CA -1.331 56.889 58.200 0.035 0.000 1.045 54 S CB 0.940 64.154 63.200 0.022 0.000 0.962 54 S HN 0.239 nan 8.310 nan 0.000 0.503 55 P HA 0.063 nan 4.420 nan 0.000 0.230 55 P C 0.648 177.977 177.300 0.050 0.000 1.158 55 P CA 0.575 63.699 63.100 0.039 0.000 0.769 55 P CB -0.012 31.698 31.700 0.016 0.000 0.807 56 A N -1.598 121.251 122.820 0.047 0.000 2.218 56 A HA -0.049 4.271 4.320 0.001 0.000 0.209 56 A C 2.012 179.624 177.584 0.046 0.000 1.168 56 A CA -0.038 52.016 52.037 0.029 0.000 0.804 56 A CB -1.288 17.709 19.000 -0.005 0.000 0.834 56 A HN 0.035 nan 8.150 nan 0.000 0.482 57 Y N 0.914 121.207 120.300 -0.012 0.000 2.165 57 Y HA -0.220 4.330 4.550 0.001 0.000 0.286 57 Y C 2.573 178.473 175.900 0.000 0.000 1.155 57 Y CA 1.479 59.578 58.100 -0.002 0.000 1.164 57 Y CB -0.322 38.145 38.460 0.012 0.000 0.978 57 Y HN 0.345 nan 8.280 nan 0.000 0.513 58 A N -0.943 121.948 122.820 0.118 0.000 1.908 58 A HA -0.226 4.094 4.320 0.001 0.000 0.218 58 A C 2.244 179.801 177.584 -0.046 0.000 1.181 58 A CA 2.440 54.506 52.037 0.049 0.000 0.627 58 A CB -1.323 17.723 19.000 0.076 0.000 0.818 58 A HN 0.495 nan 8.150 nan 0.000 0.445 59 T N 0.070 114.602 114.554 -0.036 0.000 2.812 59 T HA 0.075 4.426 4.350 0.001 0.000 0.264 59 T C 2.186 176.826 174.700 -0.100 0.000 1.042 59 T CA 1.302 63.381 62.100 -0.034 0.000 1.140 59 T CB -0.396 68.470 68.868 -0.003 0.000 0.870 59 T HN 0.592 nan 8.240 nan 0.000 0.445 60 A N 1.279 124.001 122.820 -0.162 0.000 2.019 60 A HA -0.119 4.201 4.320 0.001 0.000 0.219 60 A C 2.091 179.507 177.584 -0.280 0.000 1.164 60 A CA 1.689 53.597 52.037 -0.215 0.000 0.644 60 A CB -0.511 18.342 19.000 -0.245 0.000 0.805 60 A HN 0.596 nan 8.150 nan 0.000 0.449 61 E N -0.177 119.824 120.200 -0.332 0.000 2.358 61 E HA -0.132 4.219 4.350 0.001 0.000 0.195 61 E C 1.991 178.473 176.600 -0.197 0.000 1.010 61 E CA 0.915 57.141 56.400 -0.290 0.000 0.856 61 E CB -0.009 29.521 29.700 -0.282 0.000 0.795 61 E HN 0.751 nan 8.360 nan 0.000 0.504 62 R N -0.305 120.085 120.500 -0.183 0.000 2.365 62 R HA 0.175 4.515 4.340 0.001 0.000 0.223 62 R C 0.011 176.044 176.300 -0.445 0.000 0.899 62 R CA -0.171 55.816 56.100 -0.187 0.000 1.059 62 R CB 0.381 30.656 30.300 -0.042 0.000 1.086 62 R HN -0.105 nan 8.270 nan 0.000 0.522 63 V N 2.911 122.530 119.914 -0.491 0.000 2.715 63 V HA 0.192 4.312 4.120 0.001 0.000 0.299 63 V C 0.298 175.829 176.094 -0.937 0.000 1.054 63 V CA 0.015 61.804 62.300 -0.852 0.000 1.077 63 V CB 1.055 32.652 31.823 -0.378 0.000 0.972 63 V HN 0.308 nan 8.190 nan 0.000 0.484 64 R N 3.538 123.130 120.500 -1.513 0.000 2.919 64 R HA 0.495 4.836 4.340 0.001 0.000 0.260 64 R C -2.788 173.206 176.300 -0.509 0.000 1.067 64 R CA -2.441 53.135 56.100 -0.873 0.000 1.003 64 R CB 0.998 30.858 30.300 -0.733 0.000 1.192 64 R HN 0.338 nan 8.270 nan 0.000 0.488 65 P HA -0.012 nan 4.420 nan 0.000 0.266 65 P C -0.274 177.130 177.300 0.173 0.000 1.195 65 P CA 0.622 63.725 63.100 0.006 0.000 0.768 65 P CB 0.414 32.123 31.700 0.016 0.000 0.838 66 E N -1.673 118.670 120.200 0.238 0.000 3.916 66 E HA -0.195 4.156 4.350 0.001 0.000 0.331 66 E C -0.463 176.433 176.600 0.493 0.000 0.729 66 E CA 0.924 57.549 56.400 0.376 0.000 1.222 66 E CB -1.940 27.927 29.700 0.278 0.000 1.633 66 E HN 0.480 nan 8.360 nan 0.000 0.437 67 W N 0.781 122.133 121.300 0.087 0.000 2.170 67 W HA 0.350 5.011 4.660 0.001 0.000 0.336 67 W C 0.886 177.352 176.519 -0.089 0.000 1.283 67 W CA -0.380 56.969 57.345 0.007 0.000 1.224 67 W CB 0.510 29.958 29.460 -0.020 0.000 1.132 67 W HN -0.242 nan 8.180 nan 0.000 0.571 68 V N 4.993 124.876 119.914 -0.051 0.000 2.394 68 V HA 0.526 4.647 4.120 0.001 0.000 0.282 68 V C 0.110 176.096 176.094 -0.180 0.000 1.031 68 V CA -0.866 61.229 62.300 -0.342 0.000 0.881 68 V CB 0.634 32.149 31.823 -0.514 0.000 0.982 68 V HN 0.362 nan 8.190 nan 0.000 0.451 69 V N 2.742 122.551 119.914 -0.176 0.000 3.160 69 V HA 0.765 4.885 4.120 0.001 0.000 0.310 69 V C -0.667 175.353 176.094 -0.123 0.000 1.181 69 V CA -1.225 61.017 62.300 -0.096 0.000 1.047 69 V CB 2.233 34.044 31.823 -0.021 0.000 1.068 69 V HN 0.852 nan 8.190 nan 0.000 0.441 70 R N 1.154 121.602 120.500 -0.087 0.000 2.480 70 R HA 0.852 5.192 4.340 0.001 0.000 0.306 70 R C -0.760 175.505 176.300 -0.059 0.000 0.958 70 R CA -0.032 56.018 56.100 -0.083 0.000 0.861 70 R CB 1.686 31.939 30.300 -0.079 0.000 1.171 70 R HN 1.355 nan 8.270 nan 0.000 0.445 71 A N 4.180 126.967 122.820 -0.056 0.000 2.374 71 A HA 0.614 4.934 4.320 0.001 0.000 0.317 71 A C -1.213 176.345 177.584 -0.044 0.000 1.094 71 A CA -0.867 51.141 52.037 -0.048 0.000 0.765 71 A CB 1.444 20.415 19.000 -0.048 0.000 1.268 71 A HN 0.747 nan 8.150 nan 0.000 0.438 72 K N 0.785 121.160 120.400 -0.042 0.000 2.397 72 K HA 0.712 5.033 4.320 0.001 0.000 0.253 72 K C -0.171 176.402 176.600 -0.045 0.000 0.932 72 K CA -0.453 55.811 56.287 -0.037 0.000 0.795 72 K CB 2.585 35.066 32.500 -0.031 0.000 1.159 72 K HN 1.113 nan 8.250 nan 0.000 0.424 73 G N 1.384 110.157 108.800 -0.045 0.000 2.488 73 G HA2 0.347 4.307 3.960 0.001 0.000 0.301 73 G HA3 0.347 4.307 3.960 0.001 0.000 0.301 73 G C -2.114 172.756 174.900 -0.050 0.000 1.339 73 G CA -0.830 44.236 45.100 -0.057 0.000 0.803 73 G HN 0.411 nan 8.290 nan 0.000 0.482 74 L N 0.924 122.112 121.223 -0.058 0.000 2.307 74 L HA 0.679 5.020 4.340 0.001 0.000 0.284 74 L C -0.167 176.674 176.870 -0.048 0.000 1.023 74 L CA -0.964 53.850 54.840 -0.044 0.000 0.810 74 L CB 1.630 43.665 42.059 -0.040 0.000 1.231 74 L HN 0.326 nan 8.230 nan 0.000 0.423 75 V N 5.475 125.367 119.914 -0.037 0.000 2.530 75 V HA 0.414 4.534 4.120 0.001 0.000 0.282 75 V C 0.163 176.249 176.094 -0.013 0.000 1.048 75 V CA -0.263 62.018 62.300 -0.031 0.000 0.997 75 V CB 1.156 32.965 31.823 -0.024 0.000 0.987 75 V HN 0.872 nan 8.190 nan 0.000 0.477 76 R N 4.053 124.547 120.500 -0.010 0.000 2.740 76 R HA 0.672 5.012 4.340 0.001 0.000 0.273 76 R C -1.472 174.836 176.300 0.013 0.000 0.998 76 R CA -1.071 55.030 56.100 0.002 0.000 0.900 76 R CB 1.346 31.644 30.300 -0.003 0.000 1.223 76 R HN 0.471 nan 8.270 nan 0.000 0.466 77 L N 1.889 123.124 121.223 0.020 0.000 2.461 77 L HA 0.276 4.617 4.340 0.001 0.000 0.272 77 L C 0.786 177.677 176.870 0.035 0.000 1.197 77 L CA -0.179 54.678 54.840 0.027 0.000 0.836 77 L CB 0.385 42.460 42.059 0.026 0.000 1.105 77 L HN 0.542 nan 8.230 nan 0.000 0.477 78 R N 2.929 123.454 120.500 0.043 0.000 2.390 78 R HA 0.167 4.507 4.340 0.001 0.000 0.291 78 R C -1.523 174.810 176.300 0.055 0.000 1.070 78 R CA -1.298 54.836 56.100 0.057 0.000 1.014 78 R CB 0.988 31.327 30.300 0.064 0.000 1.007 78 R HN 0.322 nan 8.270 nan 0.000 0.466 79 P HA -0.122 nan 4.420 nan 0.000 0.220 79 P C -0.814 176.515 177.300 0.048 0.000 1.148 79 P CA 1.158 64.290 63.100 0.054 0.000 0.803 79 P CB 0.281 32.020 31.700 0.065 0.000 0.782 80 E N -0.401 119.832 120.200 0.056 0.000 2.281 80 E HA 0.292 4.643 4.350 0.001 0.000 0.266 80 E C -2.838 173.791 176.600 0.049 0.000 0.893 80 E CA -2.482 53.945 56.400 0.046 0.000 0.798 80 E CB 1.533 31.258 29.700 0.042 0.000 1.245 80 E HN -0.119 nan 8.360 nan 0.000 0.410 81 P HA 0.131 nan 4.420 nan 0.000 0.275 81 P C -1.093 176.230 177.300 0.039 0.000 1.227 81 P CA -0.199 62.926 63.100 0.041 0.000 0.781 81 P CB 0.447 32.168 31.700 0.035 0.000 0.906 82 N N 2.635 121.361 118.700 0.043 0.000 2.609 82 N HA 0.254 4.994 4.740 0.001 0.000 0.234 82 N C -2.185 173.348 175.510 0.038 0.000 1.001 82 N CA -1.968 51.106 53.050 0.041 0.000 0.926 82 N CB 0.398 38.914 38.487 0.049 0.000 1.130 82 N HN 0.146 nan 8.380 nan 0.000 0.510 83 P HA 0.132 nan 4.420 nan 0.000 0.235 83 P C -0.352 176.964 177.300 0.027 0.000 1.765 83 P CA 0.234 63.350 63.100 0.028 0.000 1.034 83 P CB 0.207 31.921 31.700 0.022 0.000 1.984 84 R N 0.085 120.605 120.500 0.033 0.000 2.399 84 R HA 0.177 4.518 4.340 0.001 0.000 0.084 84 R C -1.199 175.127 176.300 0.043 0.000 0.516 84 R CA 0.287 56.406 56.100 0.032 0.000 0.771 84 R CB -0.162 30.154 30.300 0.026 0.000 1.035 84 R HN 0.073 nan 8.270 nan 0.000 0.539 85 L N 0.624 121.878 121.223 0.051 0.000 2.381 85 L HA 0.598 4.938 4.340 0.001 0.000 0.274 85 L C 1.140 178.047 176.870 0.061 0.000 0.988 85 L CA -0.125 54.754 54.840 0.065 0.000 0.824 85 L CB 1.718 43.820 42.059 0.072 0.000 1.263 85 L HN 0.159 nan 8.230 nan 0.000 0.410 86 A N 2.489 125.349 122.820 0.067 0.000 2.024 86 A HA -0.143 4.177 4.320 0.001 0.000 0.220 86 A C 1.586 179.208 177.584 0.064 0.000 1.164 86 A CA 2.228 54.302 52.037 0.063 0.000 0.643 86 A CB -0.449 18.591 19.000 0.068 0.000 0.806 86 A HN 0.812 nan 8.150 nan 0.000 0.451 87 T N -4.083 110.510 114.554 0.065 0.000 3.145 87 T HA 0.327 4.678 4.350 0.001 0.000 0.255 87 T C 1.543 176.277 174.700 0.055 0.000 1.039 87 T CA 0.827 62.962 62.100 0.058 0.000 0.928 87 T CB 0.114 69.011 68.868 0.049 0.000 1.029 87 T HN 0.345 nan 8.240 nan 0.000 0.554 88 G N 2.329 111.163 108.800 0.057 0.000 2.532 88 G HA2 -0.244 3.716 3.960 0.001 0.000 0.222 88 G HA3 -0.244 3.716 3.960 0.001 0.000 0.222 88 G C 1.705 176.636 174.900 0.052 0.000 1.102 88 G CA 0.331 45.464 45.100 0.055 0.000 0.742 88 G HN 0.575 nan 8.290 nan 0.000 0.577 89 R N -0.606 119.923 120.500 0.049 0.000 2.276 89 R HA 0.259 4.599 4.340 0.001 0.000 0.196 89 R C 0.786 177.113 176.300 0.044 0.000 0.961 89 R CA 0.508 56.635 56.100 0.045 0.000 1.024 89 R CB 0.132 30.456 30.300 0.041 0.000 0.940 89 R HN 0.430 nan 8.270 nan 0.000 0.480 90 V N -1.635 118.305 119.914 0.044 0.000 3.164 90 V HA 0.601 4.722 4.120 0.001 0.000 0.313 90 V C -0.971 175.142 176.094 0.032 0.000 1.188 90 V CA -1.117 61.204 62.300 0.036 0.000 1.058 90 V CB 2.174 34.016 31.823 0.031 0.000 1.110 90 V HN 0.267 nan 8.190 nan 0.000 0.453 91 E N -0.219 119.990 120.200 0.015 0.000 2.437 91 E HA 0.710 5.061 4.350 0.001 0.000 0.280 91 E C -2.016 174.565 176.600 -0.032 0.000 1.044 91 E CA -1.059 55.342 56.400 0.001 0.000 0.826 91 E CB 2.362 32.069 29.700 0.013 0.000 1.358 91 E HN 0.540 nan 8.360 nan 0.000 0.459 92 V N 0.977 120.858 119.914 -0.055 0.000 2.378 92 V HA 0.263 4.383 4.120 0.001 0.000 0.288 92 V C -0.307 175.718 176.094 -0.114 0.000 1.016 92 V CA -0.676 61.579 62.300 -0.076 0.000 0.840 92 V CB 1.217 32.998 31.823 -0.071 0.000 0.994 92 V HN 0.716 nan 8.190 nan 0.000 0.431 93 E N 4.819 124.942 120.200 -0.128 0.000 2.217 93 E HA 0.306 4.656 4.350 0.001 0.000 0.279 93 E C -0.710 175.788 176.600 -0.171 0.000 1.068 93 E CA -0.406 55.872 56.400 -0.203 0.000 0.882 93 E CB 0.664 30.242 29.700 -0.205 0.000 1.039 93 E HN 0.582 nan 8.360 nan 0.000 0.418 94 L N 3.830 124.945 121.223 -0.180 0.000 2.416 94 L HA 0.028 4.368 4.340 0.001 0.000 0.272 94 L C 1.433 178.244 176.870 -0.098 0.000 1.161 94 L CA 0.029 54.798 54.840 -0.118 0.000 0.845 94 L CB 1.039 43.041 42.059 -0.095 0.000 1.119 94 L HN 0.635 nan 8.230 nan 0.000 0.464 95 S N 1.017 116.677 115.700 -0.067 0.000 2.524 95 S HA 0.455 4.926 4.470 0.001 0.000 0.222 95 S C 0.349 174.930 174.600 -0.031 0.000 1.040 95 S CA 0.186 58.357 58.200 -0.048 0.000 0.915 95 S CB 0.728 63.903 63.200 -0.042 0.000 0.831 95 S HN 0.684 nan 8.310 nan 0.000 0.492 96 A N 0.474 123.274 122.820 -0.033 0.000 2.594 96 A HA 0.794 5.115 4.320 0.001 0.000 0.295 96 A C -1.989 175.578 177.584 -0.028 0.000 1.071 96 A CA -0.611 51.411 52.037 -0.024 0.000 0.685 96 A CB 1.585 20.571 19.000 -0.023 0.000 1.285 96 A HN 0.653 nan 8.150 nan 0.000 0.405 97 L N 0.602 121.812 121.223 -0.022 0.000 2.543 97 L HA 0.692 5.032 4.340 0.001 0.000 0.265 97 L C -0.806 176.056 176.870 -0.013 0.000 0.945 97 L CA 0.117 54.943 54.840 -0.023 0.000 0.869 97 L CB 1.963 44.006 42.059 -0.027 0.000 1.294 97 L HN 0.893 nan 8.230 nan 0.000 0.405 98 E N 3.451 123.641 120.200 -0.017 0.000 2.248 98 E HA 0.643 4.993 4.350 0.001 0.000 0.267 98 E C -1.661 174.934 176.600 -0.008 0.000 0.877 98 E CA -0.850 55.542 56.400 -0.012 0.000 0.759 98 E CB 2.212 31.896 29.700 -0.027 0.000 1.182 98 E HN 0.444 nan 8.360 nan 0.000 0.418 99 V N 6.380 126.301 119.914 0.011 0.000 2.385 99 V HA 0.114 4.234 4.120 0.001 0.000 0.269 99 V C 1.053 177.107 176.094 -0.067 0.000 1.043 99 V CA -0.072 62.236 62.300 0.012 0.000 0.906 99 V CB 0.905 32.769 31.823 0.068 0.000 0.995 99 V HN 0.783 nan 8.190 nan 0.000 0.467 100 L N 3.675 124.835 121.223 -0.104 0.000 2.354 100 L HA 0.536 4.876 4.340 0.001 0.000 0.212 100 L C 0.888 177.659 176.870 -0.166 0.000 1.091 100 L CA 0.703 55.463 54.840 -0.133 0.000 0.828 100 L CB 0.049 42.016 42.059 -0.155 0.000 0.973 100 L HN 0.735 nan 8.230 nan 0.000 0.461 101 A N -0.054 122.639 122.820 -0.211 0.000 2.555 101 A HA 0.515 4.836 4.320 0.001 0.000 0.297 101 A C -0.933 176.382 177.584 -0.447 0.000 1.060 101 A CA -0.656 51.221 52.037 -0.267 0.000 0.710 101 A CB 1.124 20.008 19.000 -0.193 0.000 1.282 101 A HN 0.063 nan 8.150 nan 0.000 0.399 102 E N 0.192 120.004 120.200 -0.646 0.000 2.280 102 E HA 0.707 5.057 4.350 0.001 0.000 0.261 102 E C -0.043 176.173 176.600 -0.639 0.000 1.088 102 E CA -0.476 55.183 56.400 -1.235 0.000 0.915 102 E CB 1.803 30.775 29.700 -1.214 0.000 1.141 102 E HN 1.026 nan 8.360 nan 0.000 0.433 103 A N 1.370 123.883 122.820 -0.513 0.000 2.520 103 A HA 0.373 4.693 4.320 0.001 0.000 0.298 103 A C -0.784 176.868 177.584 0.114 0.000 1.051 103 A CA -0.973 51.041 52.037 -0.039 0.000 0.690 103 A CB 1.088 20.176 19.000 0.147 0.000 1.281 103 A HN 0.582 nan 8.150 nan 0.000 0.402 104 K N 0.565 121.009 120.400 0.073 0.000 2.117 104 K HA 0.542 4.862 4.320 0.001 0.000 0.240 104 K C -0.451 176.196 176.600 0.077 0.000 1.031 104 K CA -0.355 55.983 56.287 0.086 0.000 0.909 104 K CB 0.087 32.614 32.500 0.044 0.000 1.097 104 K HN 0.423 nan 8.250 nan 0.000 0.492 105 T N 3.034 117.616 114.554 0.047 0.000 2.853 105 T HA 0.126 4.476 4.350 0.001 0.000 0.298 105 T C -2.165 172.490 174.700 -0.076 0.000 0.978 105 T CA -0.845 61.258 62.100 0.005 0.000 1.152 105 T CB 0.156 69.022 68.868 -0.002 0.000 0.914 105 T HN 0.440 nan 8.240 nan 0.000 0.539 106 P HA 0.188 nan 4.420 nan 0.000 0.271 106 P C -1.474 175.606 177.300 -0.368 0.000 1.218 106 P CA -1.468 61.457 63.100 -0.291 0.000 0.780 106 P CB 0.186 31.717 31.700 -0.283 0.000 0.901 107 P HA -0.037 nan 4.420 nan 0.000 0.226 107 P C -0.276 176.899 177.300 -0.207 0.000 1.153 107 P CA 1.183 64.020 63.100 -0.438 0.000 0.777 107 P CB -0.063 31.244 31.700 -0.655 0.000 0.794 108 F N -1.805 118.081 119.950 -0.107 0.000 2.654 108 F HA 0.696 5.223 4.527 0.001 0.000 0.308 108 F C -3.193 172.587 175.800 -0.033 0.000 1.108 108 F CA -3.615 54.353 58.000 -0.053 0.000 0.957 108 F CB -0.188 38.787 39.000 -0.042 0.000 1.309 108 F HN -0.379 nan 8.300 nan 0.000 0.446 109 P HA 0.282 nan 4.420 nan 0.000 0.275 109 P C -0.249 177.193 177.300 0.236 0.000 1.227 109 P CA -0.265 62.934 63.100 0.165 0.000 0.781 109 P CB 2.266 34.035 31.700 0.115 0.000 0.906 110 V N 1.577 121.599 119.914 0.180 0.000 3.330 110 V HA 0.011 4.132 4.120 0.001 0.000 0.309 110 V C 1.612 177.861 176.094 0.259 0.000 1.481 110 V CA 0.369 62.799 62.300 0.217 0.000 1.068 110 V CB 0.089 32.029 31.823 0.196 0.000 0.935 110 V HN 0.606 nan 8.190 nan 0.000 0.453 111 D N 1.319 121.842 120.400 0.204 0.000 2.240 111 D HA 0.016 4.656 4.640 0.001 0.000 0.206 111 D C 1.902 178.341 176.300 0.232 0.000 0.963 111 D CA 1.175 55.319 54.000 0.240 0.000 0.863 111 D CB 0.398 41.283 40.800 0.141 0.000 0.973 111 D HN 0.315 nan 8.370 nan 0.000 0.501 112 A N 1.638 124.541 122.820 0.137 0.000 1.883 112 A HA -0.036 4.285 4.320 0.001 0.000 0.217 112 A C 2.496 180.105 177.584 0.043 0.000 1.186 112 A CA 2.296 54.381 52.037 0.081 0.000 0.624 112 A CB -1.535 17.490 19.000 0.042 0.000 0.822 112 A HN 0.375 nan 8.150 nan 0.000 0.444 113 G N -1.667 107.116 108.800 -0.028 0.000 2.442 113 G HA2 -0.272 3.688 3.960 0.001 0.000 0.219 113 G HA3 -0.272 3.688 3.960 0.001 0.000 0.219 113 G C 1.318 176.077 174.900 -0.235 0.000 1.141 113 G CA 0.964 45.952 45.100 -0.188 0.000 0.763 113 G HN 0.697 nan 8.290 nan 0.000 0.554 114 W N 0.329 121.631 121.300 0.004 0.000 2.525 114 W HA 0.169 4.830 4.660 0.001 0.000 0.259 114 W C 2.637 179.165 176.519 0.014 0.000 1.253 114 W CA 0.263 57.613 57.345 0.009 0.000 1.262 114 W CB 0.158 29.628 29.460 0.017 0.000 1.122 114 W HN 0.084 nan 8.180 nan 0.000 0.607 115 R N -0.360 120.244 120.500 0.174 0.000 2.312 115 R HA 0.185 4.525 4.340 0.001 0.000 0.205 115 R C 1.604 177.936 176.300 0.053 0.000 0.904 115 R CA 0.697 56.864 56.100 0.113 0.000 1.052 115 R CB 0.124 30.480 30.300 0.094 0.000 1.014 115 R HN 0.207 nan 8.270 nan 0.000 0.503 116 G N 1.438 110.245 108.800 0.013 0.000 2.175 116 G HA2 -0.279 3.682 3.960 0.001 0.000 0.244 116 G HA3 -0.279 3.682 3.960 0.001 0.000 0.244 116 G C -0.098 174.791 174.900 -0.018 0.000 0.982 116 G CA -0.095 44.996 45.100 -0.016 0.000 0.641 116 G HN 0.363 nan 8.290 nan 0.000 0.527 117 E N 0.471 120.666 120.200 -0.007 0.000 2.374 117 E HA 0.398 4.749 4.350 0.001 0.000 0.260 117 E C 0.455 177.040 176.600 -0.024 0.000 1.101 117 E CA -0.419 55.977 56.400 -0.008 0.000 0.907 117 E CB 0.746 30.451 29.700 0.008 0.000 1.014 117 E HN 0.416 nan 8.360 nan 0.000 0.427 118 E N 1.626 121.813 120.200 -0.022 0.000 2.376 118 E HA -0.061 4.290 4.350 0.001 0.000 0.266 118 E C -0.785 175.798 176.600 -0.028 0.000 1.009 118 E CA 0.189 56.571 56.400 -0.030 0.000 0.902 118 E CB 0.626 30.311 29.700 -0.025 0.000 0.972 118 E HN 0.311 nan 8.360 nan 0.000 0.439 119 E N 3.162 123.338 120.200 -0.041 0.000 2.175 119 E HA 0.106 4.457 4.350 0.001 0.000 0.278 119 E C -0.838 175.739 176.600 -0.038 0.000 0.969 119 E CA -0.959 55.420 56.400 -0.036 0.000 0.796 119 E CB 0.738 30.404 29.700 -0.056 0.000 1.104 119 E HN 0.286 nan 8.360 nan 0.000 0.395 120 K N 3.912 124.298 120.400 -0.024 0.000 2.263 120 K HA 0.268 4.589 4.320 0.001 0.000 0.282 120 K C -0.541 176.028 176.600 -0.052 0.000 1.089 120 K CA -0.152 56.117 56.287 -0.029 0.000 0.907 120 K CB 0.783 33.278 32.500 -0.008 0.000 1.148 120 K HN 0.438 nan 8.250 nan 0.000 0.470 121 E N 1.546 121.697 120.200 -0.081 0.000 2.331 121 E HA 0.328 4.678 4.350 0.001 0.000 0.272 121 E C -0.260 176.256 176.600 -0.140 0.000 1.036 121 E CA -0.524 55.792 56.400 -0.139 0.000 0.864 121 E CB 1.252 30.872 29.700 -0.134 0.000 1.035 121 E HN 0.729 nan 8.360 nan 0.000 0.408 122 A N 2.101 124.780 122.820 -0.234 0.000 2.242 122 A HA 0.385 4.705 4.320 0.001 0.000 0.304 122 A C 0.094 177.592 177.584 -0.143 0.000 1.100 122 A CA -0.628 51.308 52.037 -0.168 0.000 0.860 122 A CB 0.565 19.439 19.000 -0.211 0.000 1.168 122 A HN 0.686 nan 8.150 nan 0.000 0.503 123 S N -0.243 115.418 115.700 -0.066 0.000 2.559 123 S HA 0.008 4.478 4.470 0.001 0.000 0.282 123 S C 0.686 175.250 174.600 -0.060 0.000 1.336 123 S CA 0.303 58.478 58.200 -0.041 0.000 1.037 123 S CB 0.514 63.715 63.200 0.001 0.000 0.853 123 S HN 0.675 nan 8.310 nan 0.000 0.523 124 E N 0.889 121.062 120.200 -0.045 0.000 2.153 124 E HA -0.173 4.177 4.350 0.001 0.000 0.194 124 E C 1.833 178.427 176.600 -0.010 0.000 0.988 124 E CA 1.401 57.776 56.400 -0.041 0.000 0.811 124 E CB -0.172 29.512 29.700 -0.026 0.000 0.746 124 E HN 0.898 nan 8.360 nan 0.000 0.466 125 E N 0.813 121.020 120.200 0.013 0.000 2.150 125 E HA -0.089 4.261 4.350 0.001 0.000 0.193 125 E C 2.092 178.732 176.600 0.066 0.000 0.985 125 E CA 0.544 56.964 56.400 0.034 0.000 0.814 125 E CB -0.196 29.527 29.700 0.038 0.000 0.752 125 E HN 0.180 nan 8.360 nan 0.000 0.466 126 L N -0.168 121.112 121.223 0.095 0.000 2.044 126 L HA -0.080 4.260 4.340 0.001 0.000 0.205 126 L C 2.524 179.555 176.870 0.269 0.000 1.075 126 L CA 1.095 56.072 54.840 0.228 0.000 0.747 126 L CB -0.163 42.044 42.059 0.247 0.000 0.903 126 L HN 0.117 nan 8.230 nan 0.000 0.435 127 R N -0.662 119.863 120.500 0.042 0.000 2.091 127 R HA -0.206 4.135 4.340 0.001 0.000 0.238 127 R C 2.071 178.414 176.300 0.071 0.000 1.136 127 R CA 1.203 57.281 56.100 -0.038 0.000 0.959 127 R CB -0.362 29.818 30.300 -0.200 0.000 0.856 127 R HN 0.199 nan 8.270 nan 0.000 0.437 128 L N 1.035 122.286 121.223 0.046 0.000 2.072 128 L HA -0.105 4.236 4.340 0.001 0.000 0.205 128 L C 2.315 179.209 176.870 0.040 0.000 1.079 128 L CA 1.659 56.529 54.840 0.050 0.000 0.752 128 L CB -0.630 41.454 42.059 0.042 0.000 0.906 128 L HN 0.065 nan 8.230 nan 0.000 0.436 129 K N -0.931 119.468 120.400 -0.002 0.000 2.097 129 K HA -0.173 4.148 4.320 0.001 0.000 0.206 129 K C 0.269 176.659 176.600 -0.350 0.000 1.049 129 K CA 1.407 57.592 56.287 -0.171 0.000 0.933 129 K CB -0.009 32.342 32.500 -0.248 0.000 0.717 129 K HN 0.285 nan 8.250 nan 0.000 0.442 130 Y N 0.002 120.296 120.300 -0.011 0.000 2.631 130 Y HA 0.217 4.768 4.550 0.001 0.000 0.361 130 Y C 0.922 176.624 175.900 -0.330 0.000 0.941 130 Y CA -0.705 57.212 58.100 -0.305 0.000 1.327 130 Y CB 0.768 39.087 38.460 -0.234 0.000 1.299 130 Y HN -0.055 nan 8.280 nan 0.000 0.578 131 R N 0.627 121.094 120.500 -0.054 0.000 2.159 131 R HA -0.224 4.116 4.340 0.001 0.000 0.237 131 R C 1.440 177.754 176.300 0.024 0.000 1.131 131 R CA 1.932 58.056 56.100 0.040 0.000 0.982 131 R CB -0.680 29.716 30.300 0.161 0.000 0.868 131 R HN 0.667 nan 8.270 nan 0.000 0.453 132 Y N -2.185 118.271 120.300 0.261 0.000 2.571 132 Y HA 0.119 4.670 4.550 0.001 0.000 0.294 132 Y C 1.429 177.413 175.900 0.139 0.000 1.141 132 Y CA 0.408 58.632 58.100 0.206 0.000 1.308 132 Y CB -0.404 38.191 38.460 0.226 0.000 1.002 132 Y HN -0.033 nan 8.280 nan 0.000 0.551 133 L N -0.263 120.889 121.223 -0.119 0.000 2.357 133 L HA 0.031 4.371 4.340 0.001 0.000 0.211 133 L C 1.860 178.832 176.870 0.170 0.000 1.075 133 L CA 1.029 55.867 54.840 -0.002 0.000 0.830 133 L CB -0.288 41.630 42.059 -0.236 0.000 0.996 133 L HN 0.144 nan 8.230 nan 0.000 0.467 134 D N 0.839 121.392 120.400 0.254 0.000 2.144 134 D HA -0.164 4.477 4.640 0.001 0.000 0.199 134 D C 2.146 178.493 176.300 0.078 0.000 0.984 134 D CA 1.157 55.286 54.000 0.214 0.000 0.834 134 D CB 0.043 40.887 40.800 0.075 0.000 0.955 134 D HN 0.175 nan 8.370 nan 0.000 0.465 135 L N -0.178 121.066 121.223 0.035 0.000 2.633 135 L HA 0.044 4.385 4.340 0.001 0.000 0.235 135 L C 2.142 179.035 176.870 0.037 0.000 1.163 135 L CA 0.370 55.207 54.840 -0.004 0.000 0.859 135 L CB -0.199 41.827 42.059 -0.056 0.000 0.973 135 L HN 0.022 nan 8.230 nan 0.000 0.451 136 R N -0.209 120.330 120.500 0.066 0.000 2.275 136 R HA 0.064 4.404 4.340 0.001 0.000 0.199 136 R C 0.530 177.010 176.300 0.299 0.000 0.989 136 R CA 0.013 56.158 56.100 0.076 0.000 1.016 136 R CB 0.090 30.372 30.300 -0.030 0.000 0.918 136 R HN 0.325 nan 8.270 nan 0.000 0.473 137 R N 1.048 121.660 120.500 0.187 0.000 2.491 137 R HA 0.071 4.412 4.340 0.001 0.000 0.283 137 R C 1.082 177.294 176.300 -0.147 0.000 1.072 137 R CA -0.124 56.031 56.100 0.091 0.000 1.048 137 R CB 0.664 30.962 30.300 -0.004 0.000 0.983 137 R HN 0.088 nan 8.270 nan 0.000 0.450 138 R N 2.318 122.385 120.500 -0.721 0.000 2.113 138 R HA -0.254 4.087 4.340 0.001 0.000 0.244 138 R C 2.141 178.145 176.300 -0.493 0.000 1.142 138 R CA 2.053 57.491 56.100 -1.103 0.000 0.953 138 R CB -0.069 29.313 30.300 -1.531 0.000 0.860 138 R HN 0.515 nan 8.270 nan 0.000 0.438 139 R N -0.384 119.910 120.500 -0.343 0.000 2.096 139 R HA -0.114 4.226 4.340 0.001 0.000 0.235 139 R C 2.079 178.290 176.300 -0.148 0.000 1.127 139 R CA 1.486 57.459 56.100 -0.212 0.000 0.968 139 R CB -0.025 30.174 30.300 -0.168 0.000 0.861 139 R HN 0.192 nan 8.270 nan 0.000 0.440 140 M N 0.557 120.080 119.600 -0.128 0.000 2.175 140 M HA -0.123 4.358 4.480 0.001 0.000 0.264 140 M C 2.046 178.303 176.300 -0.071 0.000 1.063 140 M CA 1.585 56.832 55.300 -0.089 0.000 1.119 140 M CB -0.883 31.673 32.600 -0.074 0.000 1.377 140 M HN 0.226 nan 8.290 nan 0.000 0.415 141 Q N -0.123 119.640 119.800 -0.060 0.000 2.119 141 Q HA -0.153 4.187 4.340 0.001 0.000 0.201 141 Q C 1.915 177.891 176.000 -0.040 0.000 0.972 141 Q CA 1.122 56.914 55.803 -0.019 0.000 0.847 141 Q CB -0.150 28.629 28.738 0.067 0.000 0.903 141 Q HN 0.613 nan 8.270 nan 0.000 0.433 142 E N 0.914 121.063 120.200 -0.085 0.000 2.077 142 E HA -0.174 4.177 4.350 0.001 0.000 0.193 142 E C 1.683 178.251 176.600 -0.053 0.000 0.989 142 E CA 0.969 57.324 56.400 -0.076 0.000 0.800 142 E CB -0.115 29.519 29.700 -0.110 0.000 0.746 142 E HN 0.412 nan 8.360 nan 0.000 0.452 143 N N 0.512 119.177 118.700 -0.058 0.000 2.084 143 N HA -0.143 4.597 4.740 0.001 0.000 0.190 143 N C 1.964 177.461 175.510 -0.021 0.000 1.030 143 N CA 0.771 53.795 53.050 -0.043 0.000 0.849 143 N CB -0.057 38.400 38.487 -0.049 0.000 1.012 143 N HN 0.072 nan 8.380 nan 0.000 0.423 144 L N 0.868 122.080 121.223 -0.019 0.000 2.093 144 L HA -0.093 4.248 4.340 0.001 0.000 0.208 144 L C 2.411 179.304 176.870 0.038 0.000 1.085 144 L CA 0.906 55.750 54.840 0.006 0.000 0.755 144 L CB -0.349 41.706 42.059 -0.007 0.000 0.904 144 L HN 0.200 nan 8.230 nan 0.000 0.435 145 R N -0.132 120.380 120.500 0.020 0.000 2.115 145 R HA -0.117 4.223 4.340 0.001 0.000 0.226 145 R C 2.167 178.509 176.300 0.071 0.000 1.100 145 R CA 0.956 57.078 56.100 0.036 0.000 0.980 145 R CB -0.527 29.771 30.300 -0.005 0.000 0.875 145 R HN 0.247 nan 8.270 nan 0.000 0.445 146 L N 1.340 122.578 121.223 0.025 0.000 2.093 146 L HA -0.092 4.248 4.340 0.001 0.000 0.208 146 L C 2.498 179.378 176.870 0.017 0.000 1.085 146 L CA 1.634 56.476 54.840 0.003 0.000 0.755 146 L CB -0.435 41.601 42.059 -0.039 0.000 0.904 146 L HN -0.036 nan 8.230 nan 0.000 0.435 147 R N -1.635 118.887 120.500 0.036 0.000 2.096 147 R HA -0.256 4.085 4.340 0.001 0.000 0.235 147 R C 2.442 178.785 176.300 0.071 0.000 1.127 147 R CA 1.717 57.845 56.100 0.047 0.000 0.968 147 R CB -0.445 29.887 30.300 0.053 0.000 0.861 147 R HN 0.673 nan 8.270 nan 0.000 0.440 148 H N 0.158 119.242 119.070 0.022 0.000 2.293 148 H HA -0.054 4.502 4.556 0.001 0.000 0.300 148 H C 2.038 177.388 175.328 0.035 0.000 1.082 148 H CA 2.170 58.238 56.048 0.032 0.000 1.308 148 H CB 0.067 29.841 29.762 0.020 0.000 1.375 148 H HN 0.119 nan 8.280 nan 0.000 0.495 149 R N -0.230 120.304 120.500 0.057 0.000 2.091 149 R HA -0.106 4.234 4.340 0.001 0.000 0.238 149 R C 2.484 178.758 176.300 -0.043 0.000 1.136 149 R CA 1.406 57.513 56.100 0.012 0.000 0.959 149 R CB -0.369 29.962 30.300 0.052 0.000 0.856 149 R HN 0.245 nan 8.270 nan 0.000 0.437 150 V N 1.347 121.242 119.914 -0.031 0.000 2.295 150 V HA -0.236 3.885 4.120 0.001 0.000 0.246 150 V C 2.238 178.346 176.094 0.024 0.000 1.049 150 V CA 1.721 64.011 62.300 -0.017 0.000 1.024 150 V CB -0.314 31.501 31.823 -0.013 0.000 0.648 150 V HN 0.285 nan 8.190 nan 0.000 0.447 151 I N -0.138 120.447 120.570 0.025 0.000 2.315 151 I HA -0.206 3.965 4.170 0.001 0.000 0.248 151 I C 2.551 178.772 176.117 0.172 0.000 1.117 151 I CA 1.375 62.739 61.300 0.106 0.000 1.404 151 I CB -0.347 37.723 38.000 0.117 0.000 1.071 151 I HN 0.254 nan 8.210 nan 0.000 0.419 152 K N 1.898 122.290 120.400 -0.012 0.000 2.057 152 K HA -0.095 4.226 4.320 0.001 0.000 0.207 152 K C 2.038 178.724 176.600 0.142 0.000 1.049 152 K CA 1.787 58.080 56.287 0.010 0.000 0.931 152 K CB -0.468 31.925 32.500 -0.177 0.000 0.714 152 K HN 0.238 nan 8.250 nan 0.000 0.440 153 A N 0.721 123.603 122.820 0.104 0.000 1.940 153 A HA -0.113 4.207 4.320 0.001 0.000 0.219 153 A C 2.298 180.034 177.584 0.254 0.000 1.176 153 A CA 1.747 53.897 52.037 0.189 0.000 0.631 153 A CB -0.664 18.356 19.000 0.033 0.000 0.814 153 A HN 0.364 nan 8.150 nan 0.000 0.446 154 I N -2.662 117.981 120.570 0.123 0.000 2.179 154 I HA -0.284 3.886 4.170 0.001 0.000 0.242 154 I C 2.451 178.489 176.117 -0.132 0.000 1.088 154 I CA 1.332 62.599 61.300 -0.055 0.000 1.357 154 I CB -0.354 37.551 38.000 -0.157 0.000 1.051 154 I HN 0.524 nan 8.210 nan 0.000 0.409 155 W N 1.571 122.823 121.300 -0.080 0.000 2.335 155 W HA -0.221 4.439 4.660 0.001 0.000 0.311 155 W C 2.408 178.902 176.519 -0.040 0.000 1.213 155 W CA 1.405 58.733 57.345 -0.028 0.000 1.274 155 W CB -0.520 28.992 29.460 0.086 0.000 1.148 155 W HN 0.142 nan 8.180 nan 0.000 0.498 156 D N -0.772 119.778 120.400 0.250 0.000 2.092 156 D HA -0.232 4.408 4.640 0.001 0.000 0.193 156 D C 1.893 178.195 176.300 0.005 0.000 0.994 156 D CA 1.570 55.661 54.000 0.152 0.000 0.828 156 D CB -1.081 39.838 40.800 0.197 0.000 0.963 156 D HN 0.097 nan 8.370 nan 0.000 0.450 157 F N 1.252 121.064 119.950 -0.229 0.000 2.075 157 F HA -0.121 4.407 4.527 0.001 0.000 0.297 157 F C 2.307 177.905 175.800 -0.336 0.000 1.113 157 F CA 1.199 58.960 58.000 -0.399 0.000 1.218 157 F CB -0.310 38.389 39.000 -0.503 0.000 0.984 157 F HN -0.130 nan 8.300 nan 0.000 0.472 158 L N -0.004 121.032 121.223 -0.313 0.000 2.083 158 L HA -0.210 4.130 4.340 0.001 0.000 0.209 158 L C 2.115 178.837 176.870 -0.247 0.000 1.083 158 L CA 1.750 56.250 54.840 -0.567 0.000 0.752 158 L CB -0.858 40.456 42.059 -1.241 0.000 0.899 158 L HN 0.215 nan 8.230 nan 0.000 0.433 159 D N 0.234 120.555 120.400 -0.131 0.000 2.144 159 D HA -0.240 4.400 4.640 0.001 0.000 0.199 159 D C 2.329 178.622 176.300 -0.010 0.000 0.984 159 D CA 1.162 55.193 54.000 0.051 0.000 0.834 159 D CB 0.056 40.949 40.800 0.154 0.000 0.955 159 D HN 0.043 nan 8.370 nan 0.000 0.465 160 R N -0.017 120.412 120.500 -0.119 0.000 2.115 160 R HA -0.063 4.278 4.340 0.001 0.000 0.230 160 R C 1.125 177.316 176.300 -0.181 0.000 1.111 160 R CA 1.054 57.058 56.100 -0.161 0.000 0.976 160 R CB 0.055 30.202 30.300 -0.255 0.000 0.870 160 R HN 0.151 nan 8.270 nan 0.000 0.445 161 E N -0.624 119.439 120.200 -0.228 0.000 2.494 161 E HA 0.052 4.403 4.350 0.001 0.000 0.193 161 E C 0.717 177.367 176.600 0.084 0.000 1.074 161 E CA 0.713 57.049 56.400 -0.106 0.000 0.867 161 E CB 0.750 30.369 29.700 -0.137 0.000 0.924 161 E HN 0.620 nan 8.360 nan 0.000 0.502 162 G N 1.204 110.049 108.800 0.074 0.000 2.141 162 G HA2 -0.273 3.687 3.960 0.001 0.000 0.242 162 G HA3 -0.273 3.687 3.960 0.001 0.000 0.242 162 G C -0.025 174.907 174.900 0.054 0.000 0.982 162 G CA -0.234 44.892 45.100 0.044 0.000 0.662 162 G HN 0.169 nan 8.290 nan 0.000 0.527 163 F N 0.022 119.964 119.950 -0.015 0.000 2.389 163 F HA 0.560 5.087 4.527 0.001 0.000 0.337 163 F C 0.872 176.752 175.800 0.134 0.000 1.112 163 F CA -0.620 57.419 58.000 0.065 0.000 1.192 163 F CB 1.606 40.633 39.000 0.045 0.000 1.185 163 F HN -0.028 nan 8.300 nan 0.000 0.552 164 V N 3.511 123.576 119.914 0.253 0.000 2.384 164 V HA 0.227 4.348 4.120 0.001 0.000 0.287 164 V C -0.086 175.971 176.094 -0.062 0.000 1.020 164 V CA -1.012 61.361 62.300 0.122 0.000 0.850 164 V CB 1.303 33.170 31.823 0.075 0.000 0.987 164 V HN 0.621 nan 8.190 nan 0.000 0.436 165 Q N 3.643 123.242 119.800 -0.335 0.000 2.296 165 Q HA 0.388 4.728 4.340 0.001 0.000 0.262 165 Q C -1.342 174.454 176.000 -0.341 0.000 0.981 165 Q CA 0.060 55.330 55.803 -0.888 0.000 0.905 165 Q CB 1.504 29.592 28.738 -1.083 0.000 1.186 165 Q HN 0.592 nan 8.270 nan 0.000 0.399 166 V N 4.435 124.198 119.914 -0.251 0.000 2.531 166 V HA 0.261 4.382 4.120 0.001 0.000 0.301 166 V C -0.752 175.357 176.094 0.025 0.000 1.034 166 V CA -0.834 61.474 62.300 0.013 0.000 0.865 166 V CB 1.997 33.942 31.823 0.202 0.000 0.995 166 V HN 0.779 nan 8.190 nan 0.000 0.424 167 E N 2.091 122.295 120.200 0.006 0.000 2.259 167 E HA 0.437 4.787 4.350 0.001 0.000 0.281 167 E C -0.215 176.366 176.600 -0.032 0.000 1.037 167 E CA -0.073 56.336 56.400 0.015 0.000 0.854 167 E CB 1.194 30.922 29.700 0.046 0.000 1.051 167 E HN 0.657 nan 8.360 nan 0.000 0.409 168 T N 3.820 118.324 114.554 -0.084 0.000 2.934 168 T HA 0.353 4.703 4.350 0.001 0.000 0.283 168 T C -2.187 172.297 174.700 -0.361 0.000 1.005 168 T CA -1.586 60.340 62.100 -0.291 0.000 1.041 168 T CB 0.950 69.666 68.868 -0.252 0.000 1.042 168 T HN 0.254 nan 8.240 nan 0.000 0.505 169 P HA 0.215 nan 4.420 nan 0.000 0.269 169 P C -0.235 176.902 177.300 -0.272 0.000 1.209 169 P CA -0.048 62.835 63.100 -0.361 0.000 0.776 169 P CB 0.377 31.790 31.700 -0.479 0.000 0.876 170 F N 0.319 120.181 119.950 -0.146 0.000 2.678 170 F HA 0.226 4.753 4.527 0.001 0.000 0.291 170 F C 0.862 176.577 175.800 -0.142 0.000 1.123 170 F CA 0.371 58.312 58.000 -0.098 0.000 1.395 170 F CB 0.232 39.177 39.000 -0.092 0.000 1.121 170 F HN 0.087 nan 8.300 nan 0.000 0.592 171 L N 1.491 122.691 121.223 -0.037 0.000 2.283 171 L HA 0.379 4.719 4.340 0.001 0.000 0.281 171 L C 0.254 177.103 176.870 -0.035 0.000 1.033 171 L CA -0.390 54.348 54.840 -0.169 0.000 0.848 171 L CB 0.567 42.255 42.059 -0.619 0.000 1.226 171 L HN 0.067 nan 8.230 nan 0.000 0.429 172 T N -0.831 113.788 114.554 0.108 0.000 2.676 172 T HA 0.410 4.760 4.350 0.001 0.000 0.269 172 T C -0.408 174.414 174.700 0.202 0.000 0.952 172 T CA -0.917 61.292 62.100 0.183 0.000 1.040 172 T CB 1.785 70.802 68.868 0.249 0.000 1.352 172 T HN 0.288 nan 8.240 nan 0.000 0.554 173 K N 0.761 121.254 120.400 0.155 0.000 2.172 173 K HA 0.468 4.788 4.320 0.001 0.000 0.276 173 K C 0.001 176.676 176.600 0.126 0.000 1.013 173 K CA -0.487 55.876 56.287 0.126 0.000 0.913 173 K CB 1.200 33.753 32.500 0.088 0.000 1.055 173 K HN 0.640 nan 8.250 nan 0.000 0.461 174 S N 1.932 117.698 115.700 0.111 0.000 2.580 174 S HA 0.193 4.663 4.470 0.001 0.000 0.274 174 S C -0.705 173.930 174.600 0.058 0.000 1.329 174 S CA -0.251 58.001 58.200 0.087 0.000 1.036 174 S CB 0.695 63.936 63.200 0.068 0.000 0.919 174 S HN 0.591 nan 8.310 nan 0.000 0.515 175 T N 6.250 120.832 114.554 0.046 0.000 2.824 175 T HA 0.396 4.747 4.350 0.001 0.000 0.282 175 T C -1.826 172.874 174.700 -0.000 0.000 0.993 175 T CA -1.025 61.080 62.100 0.009 0.000 0.967 175 T CB 1.619 70.500 68.868 0.021 0.000 0.960 175 T HN 0.408 nan 8.240 nan 0.000 0.441 176 P HA -0.038 nan 4.420 nan 0.000 0.217 176 P C 0.106 177.408 177.300 0.003 0.000 1.148 176 P CA 1.181 64.268 63.100 -0.021 0.000 0.828 176 P CB 0.391 32.065 31.700 -0.043 0.000 0.783 177 E N -2.468 117.746 120.200 0.024 0.000 2.367 177 E HA 0.527 4.877 4.350 0.001 0.000 0.273 177 E C 0.092 176.767 176.600 0.126 0.000 0.903 177 E CA -0.358 56.085 56.400 0.071 0.000 0.764 177 E CB 2.319 32.070 29.700 0.085 0.000 1.252 177 E HN 0.028 nan 8.360 nan 0.000 0.446 178 G N 0.968 109.852 108.800 0.140 0.000 1.930 178 G HA2 0.241 4.201 3.960 0.001 0.000 0.054 178 G HA3 0.241 4.201 3.960 0.001 0.000 0.054 178 G C -1.143 173.835 174.900 0.131 0.000 0.902 178 G CA -0.078 45.126 45.100 0.174 0.000 1.168 178 G HN 0.751 nan 8.290 nan 0.000 0.383 179 A N -0.077 122.814 122.820 0.119 0.000 2.346 179 A HA 0.874 5.194 4.320 0.001 0.000 0.313 179 A C 0.317 177.934 177.584 0.056 0.000 1.140 179 A CA 0.193 52.285 52.037 0.093 0.000 0.826 179 A CB 1.275 20.347 19.000 0.121 0.000 1.332 179 A HN 0.976 nan 8.150 nan 0.000 0.457 180 R N 0.588 121.094 120.500 0.011 0.000 2.491 180 R HA 0.216 4.556 4.340 0.001 0.000 0.283 180 R C -1.207 175.053 176.300 -0.068 0.000 1.072 180 R CA -0.272 55.801 56.100 -0.046 0.000 1.048 180 R CB 0.256 30.496 30.300 -0.100 0.000 0.983 180 R HN 0.700 nan 8.270 nan 0.000 0.450 181 D N 3.244 123.614 120.400 -0.050 0.000 2.253 181 D HA 0.147 4.788 4.640 0.001 0.000 0.249 181 D C -0.581 175.672 176.300 -0.077 0.000 1.049 181 D CA 0.005 54.005 54.000 0.001 0.000 0.929 181 D CB 0.697 41.531 40.800 0.057 0.000 1.176 181 D HN 0.329 nan 8.370 nan 0.000 0.437 182 F N 0.767 120.767 119.950 0.084 0.000 2.394 182 F HA 0.309 4.837 4.527 0.001 0.000 0.340 182 F C 0.488 176.316 175.800 0.047 0.000 1.105 182 F CA -0.515 57.524 58.000 0.064 0.000 1.124 182 F CB 0.761 39.803 39.000 0.070 0.000 1.145 182 F HN -0.058 nan 8.300 nan 0.000 0.505 183 L N 3.640 124.999 121.223 0.227 0.000 2.334 183 L HA 0.744 5.084 4.340 0.001 0.000 0.270 183 L C -1.001 176.031 176.870 0.271 0.000 1.018 183 L CA -1.182 53.775 54.840 0.196 0.000 0.811 183 L CB 1.953 44.031 42.059 0.032 0.000 1.271 183 L HN 0.187 nan 8.230 nan 0.000 0.443 184 V N 1.578 121.707 119.914 0.359 0.000 2.482 184 V HA 0.306 4.427 4.120 0.001 0.000 0.295 184 V C -2.389 173.952 176.094 0.412 0.000 1.026 184 V CA -1.650 60.861 62.300 0.351 0.000 0.856 184 V CB 1.771 33.784 31.823 0.317 0.000 1.001 184 V HN 0.564 nan 8.190 nan 0.000 0.424 185 P HA 0.042 nan 4.420 nan 0.000 0.265 185 P C -1.121 176.177 177.300 -0.004 0.000 1.193 185 P CA 0.104 63.213 63.100 0.014 0.000 0.765 185 P CB 0.169 31.884 31.700 0.024 0.000 0.823 186 Y N 3.751 123.840 120.300 -0.351 0.000 2.518 186 Y HA 0.262 4.812 4.550 0.001 0.000 0.344 186 Y C 1.649 177.439 175.900 -0.184 0.000 0.982 186 Y CA -0.568 57.376 58.100 -0.259 0.000 1.234 186 Y CB 0.319 38.520 38.460 -0.431 0.000 1.114 186 Y HN 0.316 nan 8.280 nan 0.000 0.515 187 R N 2.379 122.633 120.500 -0.411 0.000 2.112 187 R HA -0.246 4.095 4.340 0.001 0.000 0.242 187 R C 1.004 176.930 176.300 -0.624 0.000 1.137 187 R CA 2.529 58.335 56.100 -0.489 0.000 0.944 187 R CB -0.227 29.768 30.300 -0.509 0.000 0.857 187 R HN 0.919 nan 8.270 nan 0.000 0.435 188 H N -0.725 117.876 119.070 -0.781 0.000 2.560 188 H HA 0.128 4.684 4.556 0.001 0.000 0.283 188 H C -0.193 174.952 175.328 -0.305 0.000 1.028 188 H CA 1.004 56.730 56.048 -0.538 0.000 1.221 188 H CB 0.111 29.543 29.762 -0.550 0.000 1.363 188 H HN 0.298 nan 8.280 nan 0.000 0.594 189 E N 0.612 120.706 120.200 -0.177 0.000 2.404 189 E HA 0.131 4.482 4.350 0.001 0.000 0.298 189 E C -2.758 173.818 176.600 -0.039 0.000 0.908 189 E CA -1.890 54.519 56.400 0.015 0.000 0.808 189 E CB 2.382 32.201 29.700 0.198 0.000 1.380 189 E HN 0.062 nan 8.360 nan 0.000 0.392 190 P HA -0.042 nan 4.420 nan 0.000 0.266 190 P C 0.796 178.039 177.300 -0.095 0.000 1.195 190 P CA 1.081 64.112 63.100 -0.116 0.000 0.768 190 P CB 1.010 32.672 31.700 -0.063 0.000 0.838 191 G N 0.958 109.666 108.800 -0.153 0.000 2.217 191 G HA2 -0.210 3.751 3.960 0.001 0.000 0.246 191 G HA3 -0.210 3.751 3.960 0.001 0.000 0.246 191 G C -0.309 174.572 174.900 -0.032 0.000 0.990 191 G CA -0.225 44.887 45.100 0.019 0.000 0.627 191 G HN 0.496 nan 8.290 nan 0.000 0.522 192 L N 0.689 121.753 121.223 -0.266 0.000 2.295 192 L HA 0.875 5.215 4.340 0.001 0.000 0.285 192 L C -0.194 176.370 176.870 -0.512 0.000 1.035 192 L CA -0.966 53.752 54.840 -0.204 0.000 0.806 192 L CB 1.020 43.015 42.059 -0.107 0.000 1.214 192 L HN 0.102 nan 8.230 nan 0.000 0.426 193 F N 1.759 121.657 119.950 -0.086 0.000 2.599 193 F HA 0.536 5.064 4.527 0.001 0.000 0.311 193 F C -0.494 175.236 175.800 -0.118 0.000 1.076 193 F CA -0.770 57.192 58.000 -0.063 0.000 0.937 193 F CB 1.579 40.592 39.000 0.022 0.000 1.282 193 F HN 0.202 nan 8.300 nan 0.000 0.460 194 Y N 0.824 121.266 120.300 0.236 0.000 2.488 194 Y HA 0.762 5.312 4.550 0.001 0.000 0.325 194 Y C 0.105 176.099 175.900 0.157 0.000 1.204 194 Y CA -1.175 57.007 58.100 0.137 0.000 1.229 194 Y CB 1.479 40.002 38.460 0.104 0.000 1.274 194 Y HN 0.634 nan 8.280 nan 0.000 0.493 195 A N 1.780 124.777 122.820 0.296 0.000 2.386 195 A HA 0.695 5.016 4.320 0.001 0.000 0.311 195 A C -1.239 176.430 177.584 0.140 0.000 1.068 195 A CA -0.797 51.360 52.037 0.199 0.000 0.743 195 A CB 0.772 19.867 19.000 0.160 0.000 1.258 195 A HN 0.748 nan 8.150 nan 0.000 0.429 196 L N 3.060 124.335 121.223 0.086 0.000 2.417 196 L HA 0.335 4.676 4.340 0.001 0.000 0.268 196 L C -1.750 175.182 176.870 0.103 0.000 1.158 196 L CA -1.632 53.169 54.840 -0.065 0.000 0.819 196 L CB 0.963 42.774 42.059 -0.414 0.000 1.112 196 L HN 0.521 nan 8.230 nan 0.000 0.458 197 P HA 0.057 nan 4.420 nan 0.000 0.276 197 P C -0.665 176.784 177.300 0.248 0.000 1.235 197 P CA -0.250 62.958 63.100 0.180 0.000 0.772 197 P CB 1.052 32.797 31.700 0.075 0.000 0.871 198 Q N 1.010 120.927 119.800 0.195 0.000 2.331 198 Q HA 0.069 4.410 4.340 0.001 0.000 0.203 198 Q C 0.715 176.787 176.000 0.120 0.000 0.944 198 Q CA 0.823 56.742 55.803 0.194 0.000 0.892 198 Q CB 0.311 29.168 28.738 0.198 0.000 0.983 198 Q HN 0.654 nan 8.270 nan 0.000 0.482 199 S N -0.974 114.780 115.700 0.090 0.000 2.597 199 S HA 0.258 4.728 4.470 0.001 0.000 0.274 199 S C -2.808 171.827 174.600 0.059 0.000 1.132 199 S CA -1.048 57.183 58.200 0.053 0.000 0.835 199 S CB 1.187 64.430 63.200 0.071 0.000 1.092 199 S HN -0.208 nan 8.310 nan 0.000 0.457 200 P HA 0.202 nan 4.420 nan 0.000 0.255 200 P C 1.389 178.712 177.300 0.038 0.000 1.301 200 P CA -0.121 63.054 63.100 0.126 0.000 0.817 200 P CB 0.195 31.960 31.700 0.109 0.000 1.259 201 Q N 0.470 120.233 119.800 -0.062 0.000 2.045 201 Q HA -0.220 4.120 4.340 0.001 0.000 0.215 201 Q C 1.869 177.638 176.000 -0.386 0.000 1.026 201 Q CA 1.841 57.514 55.803 -0.217 0.000 0.885 201 Q CB -1.019 27.552 28.738 -0.278 0.000 0.984 201 Q HN 0.321 nan 8.270 nan 0.000 0.414 202 L N -0.899 120.016 121.223 -0.513 0.000 2.131 202 L HA -0.168 4.172 4.340 0.001 0.000 0.210 202 L C 2.437 179.000 176.870 -0.512 0.000 1.092 202 L CA 0.911 55.305 54.840 -0.743 0.000 0.759 202 L CB -0.561 41.069 42.059 -0.715 0.000 0.903 202 L HN 0.172 nan 8.230 nan 0.000 0.435 203 F N 0.928 120.764 119.950 -0.191 0.000 2.146 203 F HA -0.198 4.330 4.527 0.001 0.000 0.298 203 F C 2.671 178.297 175.800 -0.290 0.000 1.096 203 F CA 1.304 59.200 58.000 -0.174 0.000 1.275 203 F CB -0.276 38.632 39.000 -0.153 0.000 1.008 203 F HN 0.085 nan 8.300 nan 0.000 0.480 204 K N 0.440 120.700 120.400 -0.233 0.000 2.148 204 K HA -0.166 4.154 4.320 0.001 0.000 0.204 204 K C 1.701 178.112 176.600 -0.315 0.000 1.050 204 K CA 1.403 57.368 56.287 -0.536 0.000 0.942 204 K CB -0.565 31.553 32.500 -0.636 0.000 0.724 204 K HN 0.344 nan 8.250 nan 0.000 0.446 205 Q N 0.538 120.212 119.800 -0.210 0.000 2.119 205 Q HA 0.006 4.346 4.340 0.001 0.000 0.201 205 Q C 2.172 178.114 176.000 -0.097 0.000 0.972 205 Q CA 1.528 57.260 55.803 -0.117 0.000 0.847 205 Q CB -0.125 28.603 28.738 -0.015 0.000 0.903 205 Q HN 0.410 nan 8.270 nan 0.000 0.433 206 M N -0.074 119.519 119.600 -0.012 0.000 2.296 206 M HA -0.138 4.342 4.480 0.001 0.000 0.265 206 M C 1.563 177.828 176.300 -0.058 0.000 1.064 206 M CA 0.705 56.025 55.300 0.034 0.000 1.109 206 M CB 0.040 32.706 32.600 0.111 0.000 1.396 206 M HN 0.168 nan 8.290 nan 0.000 0.430 207 L N -0.169 120.980 121.223 -0.123 0.000 2.217 207 L HA -0.092 4.248 4.340 0.001 0.000 0.211 207 L C 2.186 178.964 176.870 -0.153 0.000 1.107 207 L CA 1.481 56.238 54.840 -0.138 0.000 0.783 207 L CB -0.633 41.289 42.059 -0.227 0.000 0.919 207 L HN 0.322 nan 8.230 nan 0.000 0.442 208 M N -1.836 117.627 119.600 -0.229 0.000 2.193 208 M HA -0.040 4.440 4.480 0.001 0.000 0.265 208 M C 2.310 178.451 176.300 -0.265 0.000 1.071 208 M CA 1.009 56.133 55.300 -0.294 0.000 1.140 208 M CB -1.063 31.212 32.600 -0.543 0.000 1.369 208 M HN -0.006 nan 8.290 nan 0.000 0.423 209 V N 0.902 120.671 119.914 -0.242 0.000 2.469 209 V HA -0.204 3.917 4.120 0.001 0.000 0.251 209 V C 2.568 178.611 176.094 -0.085 0.000 1.064 209 V CA 1.711 63.923 62.300 -0.148 0.000 1.066 209 V CB -1.336 30.433 31.823 -0.091 0.000 0.667 209 V HN 0.489 nan 8.190 nan 0.000 0.461 210 A N -0.663 122.110 122.820 -0.078 0.000 2.168 210 A HA 0.320 4.641 4.320 0.001 0.000 0.215 210 A C 2.011 179.571 177.584 -0.040 0.000 1.152 210 A CA 1.198 53.205 52.037 -0.049 0.000 0.716 210 A CB -0.467 18.509 19.000 -0.040 0.000 0.794 210 A HN 1.243 nan 8.150 nan 0.000 0.465 211 G N -1.674 107.093 108.800 -0.054 0.000 2.141 211 G HA2 -0.180 3.780 3.960 0.001 0.000 0.231 211 G HA3 -0.180 3.780 3.960 0.001 0.000 0.231 211 G C 0.027 174.917 174.900 -0.016 0.000 0.984 211 G CA 0.088 45.174 45.100 -0.022 0.000 0.660 211 G HN 0.419 nan 8.290 nan 0.000 0.525 212 L N 1.348 122.550 121.223 -0.034 0.000 2.334 212 L HA 0.279 4.619 4.340 0.001 0.000 0.286 212 L C 1.646 178.493 176.870 -0.038 0.000 1.108 212 L CA -0.196 54.632 54.840 -0.020 0.000 0.875 212 L CB 0.911 42.968 42.059 -0.004 0.000 1.246 212 L HN 0.220 nan 8.230 nan 0.000 0.439 213 D N 2.905 123.285 120.400 -0.033 0.000 2.170 213 D HA -0.190 4.451 4.640 0.001 0.000 0.193 213 D C 0.472 176.694 176.300 -0.131 0.000 1.004 213 D CA 1.641 55.613 54.000 -0.047 0.000 0.860 213 D CB 0.419 41.201 40.800 -0.031 0.000 0.931 213 D HN 0.466 nan 8.370 nan 0.000 0.448 214 R N -1.125 119.258 120.500 -0.195 0.000 2.535 214 R HA 0.366 4.707 4.340 0.001 0.000 0.274 214 R C -1.523 174.733 176.300 -0.073 0.000 1.090 214 R CA -0.981 54.901 56.100 -0.363 0.000 0.930 214 R CB 0.529 30.119 30.300 -1.183 0.000 1.223 214 R HN 0.209 nan 8.270 nan 0.000 0.441 215 Y N 3.095 123.426 120.300 0.051 0.000 2.581 215 Y HA 0.797 5.347 4.550 0.001 0.000 0.345 215 Y C -1.729 174.420 175.900 0.413 0.000 1.036 215 Y CA -1.226 56.992 58.100 0.197 0.000 1.042 215 Y CB 2.207 40.696 38.460 0.049 0.000 1.289 215 Y HN 0.719 nan 8.280 nan 0.000 0.471 216 F N 1.682 121.067 119.950 -0.941 0.000 2.686 216 F HA 0.715 5.243 4.527 0.001 0.000 0.311 216 F C -1.967 173.161 175.800 -1.120 0.000 1.128 216 F CA -0.757 56.610 58.000 -1.056 0.000 0.946 216 F CB 2.047 40.695 39.000 -0.586 0.000 1.336 216 F HN 0.755 nan 8.300 nan 0.000 0.457 217 Q N 2.078 121.413 119.800 -0.774 0.000 2.503 217 Q HA 0.403 4.743 4.340 0.001 0.000 0.268 217 Q C -2.205 173.670 176.000 -0.208 0.000 0.982 217 Q CA -0.798 54.661 55.803 -0.573 0.000 0.907 217 Q CB 2.443 30.979 28.738 -0.336 0.000 1.467 217 Q HN 0.787 nan 8.270 nan 0.000 0.394 218 I N 2.908 123.415 120.570 -0.105 0.000 2.281 218 I HA 0.437 4.607 4.170 0.001 0.000 0.293 218 I C 0.110 176.236 176.117 0.016 0.000 1.085 218 I CA 0.089 61.395 61.300 0.009 0.000 1.257 218 I CB 0.055 38.120 38.000 0.108 0.000 1.430 218 I HN 0.615 nan 8.210 nan 0.000 0.489 219 A N 6.916 129.731 122.820 -0.008 0.000 2.312 219 A HA 0.739 5.059 4.320 0.001 0.000 0.326 219 A C 0.108 177.641 177.584 -0.085 0.000 1.172 219 A CA -0.712 51.304 52.037 -0.034 0.000 0.821 219 A CB 0.925 19.893 19.000 -0.054 0.000 1.166 219 A HN 0.594 nan 8.150 nan 0.000 0.493 220 R N 0.921 121.366 120.500 -0.091 0.000 2.254 220 R HA 0.553 4.893 4.340 0.001 0.000 0.318 220 R C -1.255 174.749 176.300 -0.494 0.000 1.031 220 R CA 0.043 55.997 56.100 -0.243 0.000 0.905 220 R CB 0.254 30.550 30.300 -0.007 0.000 1.050 220 R HN 0.736 nan 8.270 nan 0.000 0.456 221 C N 4.586 123.375 119.300 -0.851 0.000 2.493 221 C HA 0.654 5.115 4.460 0.001 0.000 0.326 221 C C -1.150 173.267 174.990 -0.955 0.000 1.200 221 C CA -0.723 57.804 59.018 -0.818 0.000 1.739 221 C CB 0.682 27.808 27.740 -1.023 0.000 2.300 221 C HN 0.716 nan 8.230 nan 0.000 0.500 222 F N 1.522 121.415 119.950 -0.095 0.000 2.518 222 F HA 0.658 5.185 4.527 0.001 0.000 0.323 222 F C 0.211 176.231 175.800 0.368 0.000 1.129 222 F CA -0.620 57.493 58.000 0.188 0.000 0.920 222 F CB 1.057 40.193 39.000 0.227 0.000 1.160 222 F HN 0.383 nan 8.300 nan 0.000 0.440 223 R N 1.693 122.586 120.500 0.656 0.000 2.502 223 R HA 0.228 4.568 4.340 0.001 0.000 0.298 223 R C -1.536 174.949 176.300 0.308 0.000 1.018 223 R CA -0.590 55.774 56.100 0.440 0.000 0.899 223 R CB 1.260 31.807 30.300 0.412 0.000 1.181 223 R HN 0.619 nan 8.270 nan 0.000 0.444 224 D N 3.200 123.495 120.400 -0.175 0.000 2.558 224 D HA 0.077 4.717 4.640 0.001 0.000 0.221 224 D C -0.694 175.515 176.300 -0.151 0.000 1.143 224 D CA 0.043 53.724 54.000 -0.532 0.000 1.010 224 D CB 0.482 40.593 40.800 -1.150 0.000 1.068 224 D HN 0.334 nan 8.370 nan 0.000 0.511 225 E N 0.469 120.679 120.200 0.016 0.000 2.222 225 E HA 0.235 4.585 4.350 0.001 0.000 0.267 225 E C -0.611 176.015 176.600 0.042 0.000 0.963 225 E CA -0.856 55.564 56.400 0.033 0.000 0.837 225 E CB 0.997 30.737 29.700 0.067 0.000 1.183 225 E HN 0.274 nan 8.360 nan 0.000 0.403 226 D N 2.692 123.110 120.400 0.030 0.000 2.934 226 D HA 0.077 4.718 4.640 0.001 0.000 0.237 226 D C 0.107 176.431 176.300 0.040 0.000 1.158 226 D CA -0.118 53.902 54.000 0.033 0.000 0.971 226 D CB -0.822 39.991 40.800 0.022 0.000 1.123 226 D HN 0.268 nan 8.370 nan 0.000 0.467 227 L N -1.094 120.161 121.223 0.053 0.000 2.305 227 L HA 0.565 4.905 4.340 0.001 0.000 0.281 227 L C 0.749 177.647 176.870 0.047 0.000 1.085 227 L CA -0.822 54.047 54.840 0.048 0.000 0.813 227 L CB 1.519 43.611 42.059 0.054 0.000 1.157 227 L HN 0.112 nan 8.230 nan 0.000 0.436 228 R N 3.204 123.724 120.500 0.034 0.000 2.582 228 R HA 0.214 4.554 4.340 0.001 0.000 0.285 228 R C 0.510 176.823 176.300 0.022 0.000 0.940 228 R CA 0.490 56.608 56.100 0.030 0.000 1.072 228 R CB -0.364 29.951 30.300 0.026 0.000 1.527 228 R HN 0.676 nan 8.270 nan 0.000 0.538 229 A N 2.814 125.645 122.820 0.018 0.000 2.900 229 A HA 0.136 4.457 4.320 0.001 0.000 0.246 229 A C -0.247 177.341 177.584 0.007 0.000 1.725 229 A CA 0.648 52.692 52.037 0.011 0.000 1.400 229 A CB -1.093 17.914 19.000 0.010 0.000 0.973 229 A HN 0.405 nan 8.150 nan 0.000 0.635 230 D N -0.398 120.009 120.400 0.011 0.000 2.737 230 D HA -0.159 4.481 4.640 0.001 0.000 0.238 230 D C -0.050 176.253 176.300 0.004 0.000 1.157 230 D CA 1.222 55.227 54.000 0.010 0.000 0.694 230 D CB -1.043 39.760 40.800 0.004 0.000 1.021 230 D HN 0.711 nan 8.370 nan 0.000 0.420 231 R N 0.554 121.062 120.500 0.014 0.000 2.744 231 R HA 0.492 4.833 4.340 0.001 0.000 0.279 231 R C -0.079 176.256 176.300 0.059 0.000 0.977 231 R CA -0.961 55.142 56.100 0.005 0.000 0.906 231 R CB 1.624 31.911 30.300 -0.022 0.000 1.197 231 R HN 0.118 nan 8.270 nan 0.000 0.463 232 Q N 1.111 120.965 119.800 0.090 0.000 2.215 232 Q HA 0.275 4.615 4.340 0.001 0.000 0.256 232 Q C -1.795 174.344 176.000 0.233 0.000 0.972 232 Q CA -1.924 53.969 55.803 0.149 0.000 0.889 232 Q CB 1.536 30.364 28.738 0.151 0.000 1.281 232 Q HN 0.288 nan 8.270 nan 0.000 0.456 233 P HA -0.137 nan 4.420 nan 0.000 0.218 233 P C -0.638 176.885 177.300 0.370 0.000 1.149 233 P CA 1.327 64.647 63.100 0.367 0.000 0.817 233 P CB 0.301 32.171 31.700 0.284 0.000 0.785 234 D N -1.245 119.277 120.400 0.203 0.000 2.671 234 D HA 0.505 5.145 4.640 0.001 0.000 0.232 234 D C -0.647 175.696 176.300 0.071 0.000 1.114 234 D CA -0.997 52.969 54.000 -0.056 0.000 0.858 234 D CB 1.142 41.669 40.800 -0.455 0.000 1.544 234 D HN 0.006 nan 8.370 nan 0.000 0.471 235 F N -1.795 118.057 119.950 -0.164 0.000 2.664 235 F HA 0.806 5.334 4.527 0.001 0.000 0.317 235 F C -0.878 174.880 175.800 -0.070 0.000 1.108 235 F CA -1.107 56.853 58.000 -0.066 0.000 0.957 235 F CB 1.346 40.346 39.000 -0.000 0.000 1.365 235 F HN 0.220 nan 8.300 nan 0.000 0.475 236 T N 1.331 115.958 114.554 0.122 0.000 2.824 236 T HA 0.557 4.907 4.350 0.001 0.000 0.280 236 T C -0.908 173.885 174.700 0.154 0.000 0.995 236 T CA -0.628 61.502 62.100 0.049 0.000 1.009 236 T CB 1.461 70.378 68.868 0.081 0.000 0.955 236 T HN 0.589 nan 8.240 nan 0.000 0.452 237 Q N 1.297 121.149 119.800 0.087 0.000 2.423 237 Q HA 0.548 4.889 4.340 0.001 0.000 0.278 237 Q C -1.344 174.702 176.000 0.076 0.000 1.097 237 Q CA -1.171 54.722 55.803 0.150 0.000 0.809 237 Q CB 2.710 31.548 28.738 0.167 0.000 1.391 237 Q HN 0.449 nan 8.270 nan 0.000 0.428 238 L N 1.658 122.916 121.223 0.058 0.000 2.260 238 L HA 0.402 4.742 4.340 0.001 0.000 0.289 238 L C -1.071 175.734 176.870 -0.109 0.000 1.057 238 L CA 0.259 55.027 54.840 -0.120 0.000 0.811 238 L CB 0.753 42.566 42.059 -0.411 0.000 1.184 238 L HN 0.483 nan 8.230 nan 0.000 0.429 239 D N 4.658 125.015 120.400 -0.072 0.000 2.278 239 D HA 0.573 5.214 4.640 0.001 0.000 0.245 239 D C -1.428 174.875 176.300 0.004 0.000 1.052 239 D CA -0.165 53.854 54.000 0.032 0.000 0.834 239 D CB 1.405 42.278 40.800 0.122 0.000 1.194 239 D HN 0.717 nan 8.370 nan 0.000 0.481 240 L N 2.081 123.382 121.223 0.130 0.000 2.445 240 L HA 0.720 5.061 4.340 0.001 0.000 0.262 240 L C -1.687 175.401 176.870 0.363 0.000 0.974 240 L CA -0.600 54.360 54.840 0.199 0.000 0.822 240 L CB 2.102 44.173 42.059 0.021 0.000 1.339 240 L HN 0.305 nan 8.230 nan 0.000 0.409 241 E N 3.671 124.171 120.200 0.499 0.000 2.331 241 E HA 0.696 5.046 4.350 0.001 0.000 0.275 241 E C -1.697 175.066 176.600 0.271 0.000 0.895 241 E CA -0.327 56.279 56.400 0.344 0.000 0.753 241 E CB 2.208 32.056 29.700 0.246 0.000 1.216 241 E HN 0.654 nan 8.360 nan 0.000 0.434 242 M N 1.124 120.826 119.600 0.169 0.000 2.550 242 M HA 0.539 5.020 4.480 0.001 0.000 0.292 242 M C -0.806 175.507 176.300 0.023 0.000 1.221 242 M CA -0.872 54.462 55.300 0.056 0.000 0.873 242 M CB 2.520 35.164 32.600 0.073 0.000 1.727 242 M HN 0.333 nan 8.290 nan 0.000 0.459 243 S N 0.325 115.995 115.700 -0.050 0.000 2.593 243 S HA 0.691 5.162 4.470 0.001 0.000 0.297 243 S C -0.400 174.162 174.600 -0.063 0.000 1.112 243 S CA -0.534 57.556 58.200 -0.183 0.000 1.043 243 S CB 0.536 63.509 63.200 -0.377 0.000 1.054 243 S HN 0.742 nan 8.310 nan 0.000 0.516 244 F N -0.244 119.684 119.950 -0.036 0.000 3.074 244 F HA -0.191 4.337 4.527 0.001 0.000 0.287 244 F C 0.339 176.109 175.800 -0.049 0.000 0.932 244 F CA -0.006 57.960 58.000 -0.057 0.000 0.995 244 F CB -2.016 36.950 39.000 -0.056 0.000 0.966 244 F HN 0.328 nan 8.300 nan 0.000 0.721 245 V N -3.296 116.653 119.914 0.058 0.000 2.919 245 V HA 0.784 4.905 4.120 0.001 0.000 0.316 245 V C 0.092 176.183 176.094 -0.004 0.000 1.077 245 V CA -1.238 61.081 62.300 0.031 0.000 0.977 245 V CB 2.333 34.170 31.823 0.024 0.000 1.039 245 V HN 0.164 nan 8.190 nan 0.000 0.441 246 E N 0.538 120.726 120.200 -0.020 0.000 2.264 246 E HA 0.497 4.848 4.350 0.001 0.000 0.260 246 E C 0.655 177.214 176.600 -0.068 0.000 0.961 246 E CA -0.876 55.499 56.400 -0.042 0.000 0.834 246 E CB 2.327 32.001 29.700 -0.043 0.000 1.230 246 E HN 0.457 nan 8.360 nan 0.000 0.412 247 V N 1.118 120.987 119.914 -0.075 0.000 2.278 247 V HA -0.312 3.808 4.120 0.001 0.000 0.251 247 V C 2.144 178.079 176.094 -0.265 0.000 1.062 247 V CA 2.403 64.620 62.300 -0.139 0.000 1.038 247 V CB -0.508 31.268 31.823 -0.078 0.000 0.646 247 V HN 0.700 nan 8.190 nan 0.000 0.447 248 E N 0.261 120.349 120.200 -0.187 0.000 2.160 248 E HA -0.217 4.133 4.350 0.001 0.000 0.195 248 E C 1.832 178.329 176.600 -0.171 0.000 0.991 248 E CA 1.506 57.791 56.400 -0.192 0.000 0.810 248 E CB -0.325 29.307 29.700 -0.114 0.000 0.742 248 E HN 0.670 nan 8.360 nan 0.000 0.466 249 D N -0.667 119.661 120.400 -0.120 0.000 2.144 249 D HA -0.115 4.526 4.640 0.001 0.000 0.200 249 D C 1.934 178.182 176.300 -0.087 0.000 0.978 249 D CA 1.175 55.132 54.000 -0.072 0.000 0.833 249 D CB 0.049 40.833 40.800 -0.026 0.000 0.961 249 D HN 0.160 nan 8.370 nan 0.000 0.470 250 V N 1.738 121.556 119.914 -0.160 0.000 2.307 250 V HA -0.191 3.930 4.120 0.001 0.000 0.245 250 V C 2.710 178.635 176.094 -0.282 0.000 1.045 250 V CA 0.999 63.190 62.300 -0.183 0.000 1.024 250 V CB -0.499 31.159 31.823 -0.274 0.000 0.651 250 V HN 0.176 nan 8.190 nan 0.000 0.449 251 L N -0.051 120.854 121.223 -0.531 0.000 2.017 251 L HA -0.196 4.145 4.340 0.001 0.000 0.208 251 L C 2.691 179.456 176.870 -0.176 0.000 1.073 251 L CA 2.092 56.542 54.840 -0.651 0.000 0.745 251 L CB -0.771 40.713 42.059 -0.959 0.000 0.894 251 L HN 0.439 nan 8.230 nan 0.000 0.432 252 E N 0.922 121.032 120.200 -0.149 0.000 2.077 252 E HA -0.259 4.092 4.350 0.001 0.000 0.193 252 E C 2.348 178.944 176.600 -0.007 0.000 0.989 252 E CA 1.263 57.624 56.400 -0.066 0.000 0.800 252 E CB -0.048 29.619 29.700 -0.056 0.000 0.746 252 E HN 0.424 nan 8.360 nan 0.000 0.452 253 L N 1.409 122.649 121.223 0.029 0.000 2.042 253 L HA -0.197 4.144 4.340 0.001 0.000 0.210 253 L C 2.132 179.061 176.870 0.099 0.000 1.076 253 L CA 1.517 56.423 54.840 0.111 0.000 0.749 253 L CB -0.337 41.811 42.059 0.148 0.000 0.893 253 L HN 0.116 nan 8.230 nan 0.000 0.432 254 N N -0.347 118.428 118.700 0.125 0.000 2.244 254 N HA -0.191 4.549 4.740 0.001 0.000 0.183 254 N C 1.604 177.167 175.510 0.088 0.000 1.016 254 N CA 1.608 54.801 53.050 0.237 0.000 0.866 254 N CB -0.060 38.730 38.487 0.506 0.000 0.980 254 N HN 0.573 nan 8.380 nan 0.000 0.430 255 E N 0.844 121.017 120.200 -0.046 0.000 2.072 255 E HA -0.113 4.238 4.350 0.001 0.000 0.191 255 E C 1.991 178.371 176.600 -0.367 0.000 0.985 255 E CA 0.803 56.922 56.400 -0.467 0.000 0.801 255 E CB -0.048 29.280 29.700 -0.620 0.000 0.750 255 E HN 0.293 nan 8.360 nan 0.000 0.452 256 R N 0.618 120.995 120.500 -0.204 0.000 2.115 256 R HA -0.020 4.321 4.340 0.001 0.000 0.230 256 R C 2.503 178.490 176.300 -0.522 0.000 1.111 256 R CA 0.567 56.563 56.100 -0.173 0.000 0.976 256 R CB -0.216 30.142 30.300 0.097 0.000 0.870 256 R HN 0.183 nan 8.270 nan 0.000 0.445 257 L N 0.168 120.989 121.223 -0.671 0.000 2.027 257 L HA -0.172 4.168 4.340 0.001 0.000 0.206 257 L C 2.280 178.955 176.870 -0.325 0.000 1.074 257 L CA 1.348 55.581 54.840 -1.011 0.000 0.745 257 L CB -0.092 41.672 42.059 -0.492 0.000 0.898 257 L HN 0.240 nan 8.230 nan 0.000 0.433 258 M N 0.043 119.591 119.600 -0.087 0.000 2.117 258 M HA -0.152 4.329 4.480 0.001 0.000 0.262 258 M C 2.182 178.466 176.300 -0.028 0.000 1.065 258 M CA 2.131 57.410 55.300 -0.035 0.000 1.114 258 M CB -0.534 31.871 32.600 -0.324 0.000 1.361 258 M HN 0.278 nan 8.290 nan 0.000 0.408 259 A N -1.643 121.109 122.820 -0.113 0.000 1.933 259 A HA -0.217 4.103 4.320 0.001 0.000 0.218 259 A C 2.054 179.654 177.584 0.027 0.000 1.175 259 A CA 2.107 54.122 52.037 -0.037 0.000 0.628 259 A CB -1.195 17.767 19.000 -0.064 0.000 0.814 259 A HN 0.750 nan 8.150 nan 0.000 0.444 260 H N -0.416 118.573 119.070 -0.135 0.000 2.321 260 H HA -0.070 4.487 4.556 0.001 0.000 0.300 260 H C 1.860 177.178 175.328 -0.017 0.000 1.087 260 H CA 2.034 58.028 56.048 -0.089 0.000 1.319 260 H CB -0.274 29.347 29.762 -0.234 0.000 1.379 260 H HN 0.100 nan 8.280 nan 0.000 0.501 261 V N 0.066 119.952 119.914 -0.047 0.000 2.255 261 V HA -0.257 3.863 4.120 0.001 0.000 0.247 261 V C 2.222 178.275 176.094 -0.068 0.000 1.051 261 V CA 2.084 64.354 62.300 -0.050 0.000 1.018 261 V CB -0.766 31.119 31.823 0.104 0.000 0.641 261 V HN 0.358 nan 8.190 nan 0.000 0.445 262 F N 0.277 120.153 119.950 -0.125 0.000 2.216 262 F HA -0.154 4.373 4.527 0.000 0.000 0.300 262 F C 2.555 178.294 175.800 -0.103 0.000 1.085 262 F CA 2.069 59.995 58.000 -0.123 0.000 1.326 262 F CB -0.417 38.514 39.000 -0.115 0.000 1.027 262 F HN 0.043 nan 8.300 nan 0.000 0.497 263 R N 0.416 120.951 120.500 0.059 0.000 2.062 263 R HA -0.110 4.230 4.340 0.001 0.000 0.229 263 R C 2.099 178.360 176.300 -0.064 0.000 1.128 263 R CA 1.519 57.623 56.100 0.007 0.000 0.960 263 R CB -0.237 30.065 30.300 0.004 0.000 0.855 263 R HN 0.057 nan 8.270 nan 0.000 0.432 264 E N 0.267 120.365 120.200 -0.169 0.000 2.072 264 E HA -0.098 4.253 4.350 0.001 0.000 0.190 264 E C 1.859 178.393 176.600 -0.110 0.000 0.982 264 E CA 1.375 57.676 56.400 -0.165 0.000 0.803 264 E CB -0.164 29.361 29.700 -0.291 0.000 0.755 264 E HN 0.506 nan 8.360 nan 0.000 0.453 265 A N 0.486 123.223 122.820 -0.138 0.000 1.903 265 A HA 0.038 4.359 4.320 0.001 0.000 0.213 265 A C 2.136 179.644 177.584 -0.126 0.000 1.185 265 A CA 0.741 52.697 52.037 -0.136 0.000 0.628 265 A CB -0.172 18.707 19.000 -0.201 0.000 0.830 265 A HN 0.158 nan 8.150 nan 0.000 0.446 266 L N -1.962 119.178 121.223 -0.139 0.000 2.701 266 L HA 0.300 4.641 4.340 0.001 0.000 0.238 266 L C 1.407 178.275 176.870 -0.004 0.000 1.106 266 L CA 0.459 55.250 54.840 -0.083 0.000 0.898 266 L CB 0.284 42.269 42.059 -0.124 0.000 1.188 266 L HN 0.537 nan 8.230 nan 0.000 0.508 267 G N 1.467 110.268 108.800 0.002 0.000 2.198 267 G HA2 -0.228 3.732 3.960 0.001 0.000 0.257 267 G HA3 -0.228 3.732 3.960 0.001 0.000 0.257 267 G C -0.090 174.853 174.900 0.072 0.000 1.042 267 G CA 0.136 45.255 45.100 0.031 0.000 0.791 267 G HN 0.112 nan 8.290 nan 0.000 0.502 268 V N 0.526 120.508 119.914 0.115 0.000 2.483 268 V HA 0.507 4.627 4.120 0.001 0.000 0.295 268 V C 0.052 176.240 176.094 0.156 0.000 1.035 268 V CA -0.909 61.496 62.300 0.175 0.000 0.896 268 V CB 1.878 33.884 31.823 0.305 0.000 0.986 268 V HN 0.299 nan 8.190 nan 0.000 0.447 269 E N 4.891 125.164 120.200 0.122 0.000 2.109 269 E HA 0.425 4.775 4.350 0.001 0.000 0.278 269 E C -0.915 175.736 176.600 0.085 0.000 0.954 269 E CA -0.289 56.166 56.400 0.091 0.000 0.779 269 E CB 1.802 31.545 29.700 0.072 0.000 1.093 269 E HN 0.480 nan 8.360 nan 0.000 0.401 270 L N 5.310 126.572 121.223 0.066 0.000 2.312 270 L HA 0.362 4.703 4.340 0.001 0.000 0.281 270 L C -1.803 175.125 176.870 0.096 0.000 1.070 270 L CA -1.851 53.028 54.840 0.064 0.000 0.805 270 L CB 0.889 42.961 42.059 0.020 0.000 1.174 270 L HN 0.205 nan 8.230 nan 0.000 0.434 271 P HA 0.330 nan 4.420 nan 0.000 0.286 271 P C -1.177 176.217 177.300 0.156 0.000 1.269 271 P CA -0.483 62.681 63.100 0.106 0.000 0.787 271 P CB 1.660 33.411 31.700 0.085 0.000 0.920 272 L N 5.277 126.544 121.223 0.072 0.000 2.333 272 L HA 0.596 4.936 4.340 0.001 0.000 0.269 272 L C -1.691 175.196 176.870 0.028 0.000 1.010 272 L CA -1.822 53.023 54.840 0.007 0.000 0.818 272 L CB 0.099 42.097 42.059 -0.102 0.000 1.306 272 L HN 0.367 nan 8.230 nan 0.000 0.430 273 P HA 0.429 nan 4.420 nan 0.000 0.282 273 P C -1.049 176.363 177.300 0.187 0.000 1.287 273 P CA -0.506 62.597 63.100 0.006 0.000 0.792 273 P CB 0.390 32.111 31.700 0.036 0.000 1.163 274 F N 0.268 120.261 119.950 0.072 0.000 2.375 274 F HA 0.297 4.824 4.527 0.001 0.000 0.333 274 F C -1.632 174.233 175.800 0.107 0.000 1.104 274 F CA -2.935 55.079 58.000 0.023 0.000 1.149 274 F CB -0.817 38.095 39.000 -0.147 0.000 1.190 274 F HN 0.158 nan 8.300 nan 0.000 0.533 275 P HA 0.175 nan 4.420 nan 0.000 0.269 275 P C -0.922 176.529 177.300 0.252 0.000 1.209 275 P CA -0.207 63.004 63.100 0.183 0.000 0.776 275 P CB 0.778 32.532 31.700 0.090 0.000 0.876 276 R N 2.059 122.699 120.500 0.233 0.000 2.439 276 R HA 0.624 4.965 4.340 0.001 0.000 0.310 276 R C -0.509 175.895 176.300 0.174 0.000 0.955 276 R CA -0.726 55.532 56.100 0.263 0.000 0.853 276 R CB 1.427 31.861 30.300 0.224 0.000 1.171 276 R HN 0.474 nan 8.270 nan 0.000 0.449 277 L N 1.784 123.110 121.223 0.172 0.000 2.381 277 L HA 0.449 4.789 4.340 0.001 0.000 0.268 277 L C 0.289 177.217 176.870 0.097 0.000 0.997 277 L CA -0.860 54.050 54.840 0.116 0.000 0.818 277 L CB 2.355 44.476 42.059 0.104 0.000 1.310 277 L HN 0.703 nan 8.230 nan 0.000 0.416 278 S N 0.653 116.389 115.700 0.060 0.000 2.603 278 S HA 0.075 4.545 4.470 0.001 0.000 0.268 278 S C 0.926 175.515 174.600 -0.018 0.000 1.317 278 S CA -0.298 57.924 58.200 0.036 0.000 1.012 278 S CB 0.778 64.000 63.200 0.036 0.000 0.926 278 S HN 0.596 nan 8.310 nan 0.000 0.539 279 Y N 2.113 122.258 120.300 -0.259 0.000 2.151 279 Y HA -0.251 4.299 4.550 0.001 0.000 0.284 279 Y C 2.395 178.196 175.900 -0.165 0.000 1.166 279 Y CA 2.450 60.324 58.100 -0.378 0.000 1.163 279 Y CB -0.655 37.465 38.460 -0.567 0.000 0.974 279 Y HN 0.961 nan 8.280 nan 0.000 0.511 280 E N -0.489 119.634 120.200 -0.127 0.000 2.051 280 E HA -0.263 4.088 4.350 0.001 0.000 0.192 280 E C 2.166 178.679 176.600 -0.144 0.000 0.991 280 E CA 1.481 57.784 56.400 -0.162 0.000 0.799 280 E CB -0.784 28.892 29.700 -0.040 0.000 0.748 280 E HN 0.661 nan 8.360 nan 0.000 0.449 281 E N 0.834 120.988 120.200 -0.076 0.000 2.118 281 E HA -0.217 4.134 4.350 0.001 0.000 0.195 281 E C 2.082 178.661 176.600 -0.035 0.000 0.992 281 E CA 1.152 57.525 56.400 -0.044 0.000 0.804 281 E CB -0.130 29.570 29.700 0.000 0.000 0.741 281 E HN 0.409 nan 8.360 nan 0.000 0.458 282 A N 0.288 123.086 122.820 -0.037 0.000 1.929 282 A HA -0.142 4.179 4.320 0.001 0.000 0.216 282 A C 1.998 179.572 177.584 -0.017 0.000 1.176 282 A CA 1.218 53.281 52.037 0.043 0.000 0.628 282 A CB -0.324 18.675 19.000 -0.001 0.000 0.816 282 A HN 0.262 nan 8.150 nan 0.000 0.444 283 M N -0.452 119.035 119.600 -0.188 0.000 2.200 283 M HA -0.032 4.448 4.480 0.001 0.000 0.265 283 M C 1.698 177.921 176.300 -0.128 0.000 1.066 283 M CA 1.355 56.535 55.300 -0.199 0.000 1.127 283 M CB -0.309 32.070 32.600 -0.368 0.000 1.379 283 M HN 0.336 nan 8.290 nan 0.000 0.420 284 E N -0.325 119.797 120.200 -0.131 0.000 2.107 284 E HA -0.073 4.277 4.350 0.001 0.000 0.191 284 E C 2.161 178.663 176.600 -0.163 0.000 0.982 284 E CA 0.903 57.230 56.400 -0.121 0.000 0.809 284 E CB -0.158 29.480 29.700 -0.103 0.000 0.756 284 E HN 0.505 nan 8.360 nan 0.000 0.459 285 R N -0.581 119.786 120.500 -0.221 0.000 2.127 285 R HA 0.006 4.346 4.340 0.001 0.000 0.217 285 R C 1.201 177.077 176.300 -0.705 0.000 1.074 285 R CA 0.791 56.603 56.100 -0.480 0.000 0.991 285 R CB 0.065 29.999 30.300 -0.611 0.000 0.895 285 R HN 0.295 nan 8.270 nan 0.000 0.450 286 Y N -1.319 118.925 120.300 -0.093 0.000 2.563 286 Y HA 0.295 4.846 4.550 0.000 0.000 0.250 286 Y C 1.196 177.047 175.900 -0.081 0.000 1.126 286 Y CA 0.125 58.167 58.100 -0.096 0.000 1.231 286 Y CB 0.946 39.335 38.460 -0.118 0.000 1.288 286 Y HN 0.199 nan 8.280 nan 0.000 0.537 287 G N 1.205 110.020 108.800 0.025 0.000 2.198 287 G HA2 -0.226 3.735 3.960 0.001 0.000 0.260 287 G HA3 -0.226 3.735 3.960 0.001 0.000 0.260 287 G C 0.041 174.954 174.900 0.022 0.000 1.025 287 G CA 0.724 45.822 45.100 -0.002 0.000 0.769 287 G HN 0.437 nan 8.290 nan 0.000 0.507 288 S N -1.021 114.700 115.700 0.036 0.000 2.537 288 S HA 0.508 4.978 4.470 0.001 0.000 0.271 288 S C 0.294 174.920 174.600 0.043 0.000 1.148 288 S CA 0.443 58.673 58.200 0.050 0.000 0.868 288 S CB 1.230 64.462 63.200 0.054 0.000 1.115 288 S HN 0.486 nan 8.310 nan 0.000 0.461 289 D N 1.930 122.398 120.400 0.113 0.000 2.340 289 D HA 0.101 4.741 4.640 0.001 0.000 0.220 289 D C 0.411 176.827 176.300 0.193 0.000 1.039 289 D CA 0.114 54.229 54.000 0.192 0.000 0.866 289 D CB -0.109 40.964 40.800 0.455 0.000 0.913 289 D HN 0.594 nan 8.370 nan 0.000 0.523 290 K N -0.165 120.298 120.400 0.105 0.000 3.146 290 K HA 0.377 4.697 4.320 0.001 0.000 0.168 290 K C -3.060 173.512 176.600 -0.046 0.000 1.075 290 K CA -1.579 54.740 56.287 0.053 0.000 0.843 290 K CB 0.978 33.522 32.500 0.073 0.000 1.002 290 K HN -0.164 nan 8.250 nan 0.000 0.597 291 P HA -0.051 nan 4.420 nan 0.000 0.265 291 P C -0.752 176.331 177.300 -0.361 0.000 1.193 291 P CA 0.153 63.068 63.100 -0.309 0.000 0.765 291 P CB 0.523 31.882 31.700 -0.568 0.000 0.823 292 D N 3.026 123.200 120.400 -0.376 0.000 2.359 292 D HA 0.122 4.762 4.640 0.001 0.000 0.230 292 D C 0.336 176.307 176.300 -0.549 0.000 1.118 292 D CA -0.156 53.639 54.000 -0.342 0.000 0.844 292 D CB 0.453 41.151 40.800 -0.171 0.000 1.059 292 D HN 0.258 nan 8.370 nan 0.000 0.493 293 L N 3.755 124.703 121.223 -0.457 0.000 2.685 293 L HA 0.242 4.582 4.340 0.001 0.000 0.233 293 L C 1.735 178.436 176.870 -0.281 0.000 1.173 293 L CA -0.122 54.458 54.840 -0.433 0.000 0.961 293 L CB 0.105 41.958 42.059 -0.344 0.000 1.217 293 L HN 0.134 nan 8.230 nan 0.000 0.478 294 R N 0.666 121.036 120.500 -0.217 0.000 2.316 294 R HA 0.054 4.395 4.340 0.001 0.000 0.202 294 R C -0.137 176.224 176.300 0.101 0.000 1.029 294 R CA 0.700 56.769 56.100 -0.051 0.000 1.018 294 R CB -0.021 30.281 30.300 0.004 0.000 0.888 294 R HN 0.322 nan 8.270 nan 0.000 0.471 295 F N -5.166 114.750 119.950 -0.057 0.000 2.711 295 F HA 0.659 5.186 4.527 0.000 0.000 0.313 295 F C 0.662 176.477 175.800 0.025 0.000 1.141 295 F CA -1.339 56.648 58.000 -0.023 0.000 0.941 295 F CB 0.402 39.385 39.000 -0.028 0.000 1.349 295 F HN -0.164 nan 8.300 nan 0.000 0.464 296 G N 0.488 109.407 108.800 0.199 0.000 2.672 296 G HA2 0.274 4.235 3.960 0.001 0.000 0.200 296 G HA3 0.274 4.235 3.960 0.001 0.000 0.200 296 G C 0.349 175.334 174.900 0.143 0.000 1.819 296 G CA -0.017 45.148 45.100 0.108 0.000 0.902 296 G HN 0.995 nan 8.290 nan 0.000 0.512 297 L N 0.681 122.006 121.223 0.170 0.000 3.739 297 L HA -0.160 4.180 4.340 0.001 0.000 0.442 297 L C 0.462 177.357 176.870 0.041 0.000 1.241 297 L CA -0.088 54.837 54.840 0.140 0.000 0.819 297 L CB -1.653 40.575 42.059 0.281 0.000 1.679 297 L HN 0.545 nan 8.230 nan 0.000 0.889 298 E N 0.944 121.113 120.200 -0.052 0.000 2.392 298 E HA 0.315 4.665 4.350 0.001 0.000 0.264 298 E C 0.198 176.703 176.600 -0.157 0.000 1.024 298 E CA -0.521 55.757 56.400 -0.204 0.000 0.903 298 E CB 0.695 30.236 29.700 -0.265 0.000 0.963 298 E HN 0.320 nan 8.360 nan 0.000 0.432 299 L N 3.876 124.981 121.223 -0.197 0.000 2.417 299 L HA 0.267 4.607 4.340 0.001 0.000 0.268 299 L C 0.254 177.048 176.870 -0.126 0.000 1.158 299 L CA -0.212 54.547 54.840 -0.136 0.000 0.819 299 L CB 0.511 42.495 42.059 -0.125 0.000 1.112 299 L HN 0.404 nan 8.230 nan 0.000 0.458 300 K N 1.981 122.328 120.400 -0.088 0.000 2.378 300 K HA 0.356 4.676 4.320 0.001 0.000 0.252 300 K C -0.896 175.683 176.600 -0.035 0.000 0.931 300 K CA -0.885 55.368 56.287 -0.056 0.000 0.794 300 K CB 2.367 34.850 32.500 -0.028 0.000 1.181 300 K HN 0.348 nan 8.250 nan 0.000 0.425 301 E N 1.729 121.915 120.200 -0.023 0.000 2.194 301 E HA 0.164 4.514 4.350 0.001 0.000 0.284 301 E C 0.165 176.788 176.600 0.039 0.000 1.035 301 E CA -0.392 56.001 56.400 -0.011 0.000 0.836 301 E CB 0.716 30.405 29.700 -0.018 0.000 1.070 301 E HN 0.368 nan 8.360 nan 0.000 0.401 302 V N 2.073 122.027 119.914 0.065 0.000 3.330 302 V HA 0.433 4.553 4.120 0.001 0.000 0.309 302 V C 1.385 177.613 176.094 0.222 0.000 1.481 302 V CA 0.375 62.785 62.300 0.184 0.000 1.068 302 V CB 0.401 32.424 31.823 0.334 0.000 0.935 302 V HN 0.583 nan 8.190 nan 0.000 0.453 303 G N 2.554 111.390 108.800 0.060 0.000 2.469 303 G HA2 -0.136 3.824 3.960 0.001 0.000 0.219 303 G HA3 -0.136 3.824 3.960 0.001 0.000 0.219 303 G C 0.310 175.315 174.900 0.175 0.000 1.150 303 G CA 1.620 46.743 45.100 0.039 0.000 0.763 303 G HN 0.628 nan 8.290 nan 0.000 0.561 304 P HA -0.080 nan 4.420 nan 0.000 0.216 304 P C 1.928 179.317 177.300 0.148 0.000 1.150 304 P CA 0.800 63.972 63.100 0.120 0.000 0.837 304 P CB -0.211 31.535 31.700 0.076 0.000 0.786 305 L N -2.397 118.942 121.223 0.193 0.000 2.549 305 L HA -0.060 4.281 4.340 0.001 0.000 0.230 305 L C 1.828 178.641 176.870 -0.096 0.000 1.162 305 L CA 0.955 55.824 54.840 0.048 0.000 0.834 305 L CB -0.729 41.330 42.059 0.000 0.000 0.947 305 L HN -0.112 nan 8.230 nan 0.000 0.452 306 F N -1.280 118.716 119.950 0.077 0.000 2.704 306 F HA 0.168 4.696 4.527 0.001 0.000 0.304 306 F C 1.338 177.190 175.800 0.086 0.000 1.094 306 F CA -0.354 57.711 58.000 0.108 0.000 1.275 306 F CB 0.195 39.306 39.000 0.184 0.000 1.073 306 F HN -0.155 nan 8.300 nan 0.000 0.586 307 R N 1.646 122.261 120.500 0.191 0.000 3.070 307 R HA 0.263 4.604 4.340 0.001 0.000 0.252 307 R C 0.253 176.596 176.300 0.072 0.000 1.370 307 R CA 0.193 56.366 56.100 0.123 0.000 1.482 307 R CB -0.298 30.060 30.300 0.096 0.000 1.220 307 R HN 0.429 nan 8.270 nan 0.000 0.622 308 Q N 0.098 119.934 119.800 0.060 0.000 1.647 308 Q HA 0.020 4.361 4.340 0.001 0.000 0.172 308 Q C -0.207 175.811 176.000 0.031 0.000 0.646 308 Q CA 0.543 56.366 55.803 0.032 0.000 0.718 308 Q CB 0.081 28.826 28.738 0.012 0.000 1.190 308 Q HN 0.476 nan 8.270 nan 0.000 0.379 309 S N -0.715 115.011 115.700 0.045 0.000 4.041 309 S HA 0.811 5.281 4.470 0.001 0.000 0.194 309 S C 0.620 175.281 174.600 0.102 0.000 0.942 309 S CA 0.118 58.350 58.200 0.053 0.000 1.642 309 S CB 1.065 64.284 63.200 0.031 0.000 0.665 309 S HN 0.568 nan 8.310 nan 0.000 0.698 310 G N 0.747 109.649 108.800 0.170 0.000 2.509 310 G HA2 0.347 4.308 3.960 0.001 0.000 0.216 310 G HA3 0.347 4.308 3.960 0.001 0.000 0.216 310 G C -1.461 173.622 174.900 0.305 0.000 3.092 310 G CA -0.743 44.475 45.100 0.197 0.000 0.700 310 G HN 0.699 nan 8.290 nan 0.000 0.451 311 F N 5.257 125.280 119.950 0.122 0.000 2.430 311 F HA 0.592 5.120 4.527 0.001 0.000 0.362 311 F C 1.359 177.096 175.800 -0.105 0.000 1.103 311 F CA -1.847 56.133 58.000 -0.034 0.000 1.045 311 F CB 0.798 39.633 39.000 -0.275 0.000 1.276 311 F HN 0.388 nan 8.300 nan 0.000 0.444 312 R N 2.785 123.081 120.500 -0.340 0.000 2.402 312 R HA -0.269 4.071 4.340 0.001 0.000 0.201 312 R C 1.962 177.941 176.300 -0.534 0.000 1.053 312 R CA 2.396 58.254 56.100 -0.404 0.000 0.698 312 R CB -1.645 28.443 30.300 -0.353 0.000 0.892 312 R HN 0.552 nan 8.270 nan 0.000 0.355 313 V N 0.720 120.133 119.914 -0.833 0.000 2.277 313 V HA -0.259 3.861 4.120 0.001 0.000 0.253 313 V C 2.173 178.123 176.094 -0.240 0.000 1.067 313 V CA 2.191 64.178 62.300 -0.522 0.000 1.047 313 V CB -0.634 30.869 31.823 -0.532 0.000 0.649 313 V HN 0.197 nan 8.190 nan 0.000 0.447 314 F N 0.064 119.602 119.950 -0.687 0.000 2.805 314 F HA 0.023 4.550 4.527 0.001 0.000 0.301 314 F C 1.996 177.666 175.800 -0.217 0.000 1.196 314 F CA 0.429 58.187 58.000 -0.403 0.000 1.439 314 F CB -0.397 38.376 39.000 -0.379 0.000 1.117 314 F HN 0.326 nan 8.300 nan 0.000 0.581 315 Q N -1.196 118.589 119.800 -0.026 0.000 2.384 315 Q HA 0.084 4.425 4.340 0.001 0.000 0.264 315 Q C 1.687 177.668 176.000 -0.032 0.000 0.825 315 Q CA 0.224 56.028 55.803 0.002 0.000 0.984 315 Q CB -0.152 28.607 28.738 0.036 0.000 1.183 315 Q HN 0.384 nan 8.270 nan 0.000 0.537 316 E N 1.776 121.937 120.200 -0.064 0.000 2.268 316 E HA 0.056 4.406 4.350 0.001 0.000 0.195 316 E C 0.306 176.872 176.600 -0.056 0.000 0.995 316 E CA 0.548 56.914 56.400 -0.057 0.000 0.836 316 E CB 0.190 29.847 29.700 -0.072 0.000 0.763 316 E HN 0.171 nan 8.360 nan 0.000 0.491 317 A N 1.406 124.181 122.820 -0.075 0.000 2.331 317 A HA 0.069 4.389 4.320 0.001 0.000 0.283 317 A C 0.829 178.371 177.584 -0.069 0.000 1.142 317 A CA -0.306 51.682 52.037 -0.081 0.000 0.812 317 A CB 0.773 19.699 19.000 -0.123 0.000 1.074 317 A HN 0.131 nan 8.150 nan 0.000 0.497 318 E N 1.310 121.479 120.200 -0.052 0.000 2.347 318 E HA -0.011 4.339 4.350 0.001 0.000 0.196 318 E C 0.378 176.948 176.600 -0.049 0.000 1.008 318 E CA 0.904 57.282 56.400 -0.037 0.000 0.852 318 E CB 0.160 29.847 29.700 -0.022 0.000 0.783 318 E HN 0.562 nan 8.360 nan 0.000 0.505 319 S N -0.540 115.113 115.700 -0.078 0.000 2.541 319 S HA 0.492 4.962 4.470 0.001 0.000 0.280 319 S C -1.366 173.131 174.600 -0.171 0.000 1.112 319 S CA -0.797 57.345 58.200 -0.096 0.000 0.925 319 S CB 2.011 65.168 63.200 -0.070 0.000 1.067 319 S HN -0.050 nan 8.310 nan 0.000 0.479 320 V N 5.706 125.497 119.914 -0.205 0.000 2.462 320 V HA 0.503 4.624 4.120 0.001 0.000 0.288 320 V C -0.870 175.116 176.094 -0.179 0.000 1.020 320 V CA -0.838 61.259 62.300 -0.339 0.000 0.857 320 V CB 1.764 33.194 31.823 -0.655 0.000 1.013 320 V HN 0.744 nan 8.190 nan 0.000 0.431 321 K N 3.415 123.737 120.400 -0.130 0.000 2.156 321 K HA 0.876 5.196 4.320 0.001 0.000 0.271 321 K C -0.131 176.427 176.600 -0.071 0.000 0.995 321 K CA -0.223 56.016 56.287 -0.079 0.000 0.890 321 K CB 2.490 34.943 32.500 -0.078 0.000 1.073 321 K HN 0.735 nan 8.250 nan 0.000 0.454 322 A N 2.471 125.234 122.820 -0.096 0.000 2.380 322 A HA 0.766 5.086 4.320 0.001 0.000 0.315 322 A C -1.485 175.975 177.584 -0.206 0.000 1.101 322 A CA -0.715 51.170 52.037 -0.254 0.000 0.771 322 A CB 1.200 20.059 19.000 -0.235 0.000 1.287 322 A HN 0.520 nan 8.150 nan 0.000 0.436 323 L N 1.110 122.175 121.223 -0.263 0.000 2.436 323 L HA 0.781 5.121 4.340 0.001 0.000 0.268 323 L C -0.308 176.481 176.870 -0.135 0.000 0.974 323 L CA -0.213 54.539 54.840 -0.146 0.000 0.826 323 L CB 1.771 43.769 42.059 -0.100 0.000 1.291 323 L HN 0.993 nan 8.230 nan 0.000 0.406 324 A N 6.356 129.136 122.820 -0.067 0.000 2.273 324 A HA 0.675 4.995 4.320 0.001 0.000 0.320 324 A C -0.891 176.691 177.584 -0.003 0.000 1.358 324 A CA -0.448 51.572 52.037 -0.027 0.000 0.910 324 A CB -0.012 18.989 19.000 0.001 0.000 1.159 324 A HN 0.715 nan 8.150 nan 0.000 0.526 325 L N 4.644 125.868 121.223 0.000 0.000 2.292 325 L HA 0.366 4.706 4.340 0.001 0.000 0.284 325 L C -1.549 175.327 176.870 0.010 0.000 1.065 325 L CA -1.814 53.027 54.840 0.001 0.000 0.806 325 L CB 1.792 43.845 42.059 -0.010 0.000 1.175 325 L HN 0.531 nan 8.230 nan 0.000 0.431 326 P HA 0.039 nan 4.420 nan 0.000 0.246 326 P C -0.587 176.713 177.300 -0.000 0.000 1.686 326 P CA 0.286 63.390 63.100 0.006 0.000 0.867 326 P CB 0.069 31.771 31.700 0.004 0.000 1.733 327 K N -0.030 120.372 120.400 0.003 0.000 2.578 327 K HA 0.536 4.856 4.320 0.001 0.000 0.269 327 K C -1.501 175.105 176.600 0.009 0.000 0.941 327 K CA -0.790 55.496 56.287 -0.002 0.000 0.847 327 K CB 2.004 34.492 32.500 -0.021 0.000 1.397 327 K HN -0.117 nan 8.250 nan 0.000 0.422 328 A N 5.222 128.050 122.820 0.013 0.000 2.376 328 A HA 0.354 4.675 4.320 0.001 0.000 0.298 328 A C 0.008 177.589 177.584 -0.005 0.000 1.271 328 A CA -0.536 51.518 52.037 0.028 0.000 0.926 328 A CB -0.387 18.635 19.000 0.036 0.000 1.141 328 A HN 0.602 nan 8.150 nan 0.000 0.539 329 L N 2.335 123.542 121.223 -0.027 0.000 2.464 329 L HA 0.281 4.621 4.340 0.001 0.000 0.264 329 L C 1.248 178.043 176.870 -0.125 0.000 1.199 329 L CA -0.278 54.506 54.840 -0.093 0.000 0.818 329 L CB 0.831 42.799 42.059 -0.151 0.000 1.102 329 L HN 0.841 nan 8.230 nan 0.000 0.473 330 S N 0.967 116.584 115.700 -0.138 0.000 2.730 330 S HA 0.374 4.844 4.470 0.001 0.000 0.284 330 S C 0.956 175.426 174.600 -0.217 0.000 1.153 330 S CA -0.927 57.194 58.200 -0.131 0.000 0.995 330 S CB 1.546 64.694 63.200 -0.086 0.000 1.058 330 S HN 0.501 nan 8.310 nan 0.000 0.552 331 R N 0.795 121.190 120.500 -0.176 0.000 2.115 331 R HA 0.011 4.352 4.340 0.001 0.000 0.230 331 R C 2.027 178.225 176.300 -0.169 0.000 1.111 331 R CA 1.339 57.317 56.100 -0.204 0.000 0.976 331 R CB -0.832 29.417 30.300 -0.084 0.000 0.870 331 R HN 0.773 nan 8.270 nan 0.000 0.445 332 K N 1.302 121.632 120.400 -0.117 0.000 2.103 332 K HA -0.107 4.213 4.320 0.001 0.000 0.204 332 K C 1.766 178.302 176.600 -0.107 0.000 1.052 332 K CA 1.187 57.420 56.287 -0.090 0.000 0.945 332 K CB 0.175 32.637 32.500 -0.063 0.000 0.722 332 K HN 0.183 nan 8.250 nan 0.000 0.443 333 E N -0.058 120.065 120.200 -0.129 0.000 2.106 333 E HA -0.154 4.196 4.350 0.001 0.000 0.192 333 E C 1.930 178.432 176.600 -0.162 0.000 0.984 333 E CA 1.178 57.501 56.400 -0.128 0.000 0.806 333 E CB 0.116 29.741 29.700 -0.126 0.000 0.750 333 E HN 0.071 nan 8.360 nan 0.000 0.458 334 V N 1.322 121.083 119.914 -0.255 0.000 2.358 334 V HA -0.255 3.866 4.120 0.001 0.000 0.246 334 V C 2.298 178.274 176.094 -0.198 0.000 1.047 334 V CA 1.819 63.922 62.300 -0.330 0.000 1.035 334 V CB -0.596 30.802 31.823 -0.710 0.000 0.658 334 V HN 0.316 nan 8.190 nan 0.000 0.452 335 A N -0.673 122.055 122.820 -0.154 0.000 1.933 335 A HA -0.220 4.100 4.320 0.001 0.000 0.218 335 A C 2.299 179.853 177.584 -0.051 0.000 1.175 335 A CA 1.741 53.733 52.037 -0.075 0.000 0.628 335 A CB -0.440 18.526 19.000 -0.055 0.000 0.814 335 A HN 0.477 nan 8.150 nan 0.000 0.444 336 E N 0.383 120.546 120.200 -0.062 0.000 2.077 336 E HA -0.132 4.219 4.350 0.001 0.000 0.193 336 E C 1.980 178.560 176.600 -0.034 0.000 0.989 336 E CA 1.119 57.494 56.400 -0.042 0.000 0.800 336 E CB -0.341 29.330 29.700 -0.049 0.000 0.746 336 E HN 0.650 nan 8.360 nan 0.000 0.452 337 L N 0.439 121.632 121.223 -0.050 0.000 2.141 337 L HA -0.127 4.214 4.340 0.001 0.000 0.209 337 L C 2.629 179.492 176.870 -0.012 0.000 1.094 337 L CA 1.238 56.056 54.840 -0.037 0.000 0.763 337 L CB -0.346 41.681 42.059 -0.053 0.000 0.908 337 L HN 0.172 nan 8.230 nan 0.000 0.437 338 E N 0.021 120.216 120.200 -0.008 0.000 2.204 338 E HA -0.201 4.149 4.350 0.001 0.000 0.194 338 E C 1.976 178.594 176.600 0.030 0.000 0.989 338 E CA 0.687 57.102 56.400 0.025 0.000 0.824 338 E CB 0.271 29.992 29.700 0.036 0.000 0.756 338 E HN 0.365 nan 8.360 nan 0.000 0.477 339 E N 0.158 120.370 120.200 0.019 0.000 2.072 339 E HA -0.135 4.215 4.350 0.001 0.000 0.191 339 E C 2.259 178.888 176.600 0.049 0.000 0.985 339 E CA 0.865 57.281 56.400 0.028 0.000 0.801 339 E CB -0.207 29.502 29.700 0.016 0.000 0.750 339 E HN 0.194 nan 8.360 nan 0.000 0.452 340 V N 1.809 121.750 119.914 0.044 0.000 2.287 340 V HA -0.274 3.846 4.120 0.001 0.000 0.248 340 V C 2.485 178.639 176.094 0.100 0.000 1.053 340 V CA 1.880 64.224 62.300 0.074 0.000 1.027 340 V CB -0.928 30.907 31.823 0.020 0.000 0.646 340 V HN 0.248 nan 8.190 nan 0.000 0.447 341 A N -0.236 122.611 122.820 0.045 0.000 1.908 341 A HA -0.259 4.061 4.320 0.001 0.000 0.218 341 A C 2.284 179.922 177.584 0.090 0.000 1.181 341 A CA 2.078 54.141 52.037 0.043 0.000 0.627 341 A CB -0.442 18.578 19.000 0.034 0.000 0.818 341 A HN 0.568 nan 8.150 nan 0.000 0.445 342 K N -0.977 119.471 120.400 0.079 0.000 2.217 342 K HA -0.052 4.268 4.320 0.001 0.000 0.202 342 K C 2.187 178.832 176.600 0.075 0.000 1.051 342 K CA 0.693 57.020 56.287 0.067 0.000 0.952 342 K CB -0.117 32.411 32.500 0.046 0.000 0.736 342 K HN 0.248 nan 8.250 nan 0.000 0.453 343 R N 0.704 121.270 120.500 0.111 0.000 2.091 343 R HA -0.096 4.244 4.340 0.001 0.000 0.238 343 R C 0.830 177.136 176.300 0.010 0.000 1.136 343 R CA 1.416 57.556 56.100 0.067 0.000 0.959 343 R CB -0.728 29.636 30.300 0.106 0.000 0.856 343 R HN 0.365 nan 8.270 nan 0.000 0.437 344 H N 0.947 120.020 119.070 0.004 0.000 2.820 344 H HA 0.167 4.724 4.556 0.001 0.000 0.291 344 H C -0.149 175.178 175.328 -0.002 0.000 1.412 344 H CA -0.324 55.726 56.048 0.004 0.000 1.176 344 H CB -0.545 29.225 29.762 0.013 0.000 1.467 344 H HN -0.010 nan 8.280 nan 0.000 0.517 345 K N 1.162 121.599 120.400 0.061 0.000 4.489 345 K HA -0.224 4.096 4.320 0.001 0.000 0.276 345 K C -0.912 175.709 176.600 0.036 0.000 0.763 345 K CA 0.436 56.741 56.287 0.030 0.000 0.735 345 K CB -0.953 31.545 32.500 -0.005 0.000 1.902 345 K HN 0.575 nan 8.250 nan 0.000 0.411 346 A N 2.529 125.376 122.820 0.045 0.000 2.365 346 A HA 0.262 4.582 4.320 0.001 0.000 0.318 346 A C 0.910 178.512 177.584 0.029 0.000 1.091 346 A CA -0.321 51.736 52.037 0.033 0.000 0.763 346 A CB 1.273 20.296 19.000 0.039 0.000 1.248 346 A HN 0.658 nan 8.150 nan 0.000 0.442 347 Q N 1.550 121.360 119.800 0.018 0.000 2.234 347 Q HA 0.244 4.584 4.340 0.001 0.000 0.206 347 Q C 0.706 176.728 176.000 0.036 0.000 0.980 347 Q CA 1.314 57.128 55.803 0.018 0.000 0.869 347 Q CB -0.076 28.664 28.738 0.004 0.000 0.912 347 Q HN 1.323 nan 8.270 nan 0.000 0.436 348 G N -0.051 108.780 108.800 0.052 0.000 2.349 348 G HA2 0.383 4.343 3.960 0.001 0.000 0.294 348 G HA3 0.383 4.343 3.960 0.001 0.000 0.294 348 G C -2.340 172.625 174.900 0.108 0.000 1.380 348 G CA -0.685 44.462 45.100 0.078 0.000 0.811 348 G HN 0.086 nan 8.290 nan 0.000 0.519 349 L N 1.039 122.349 121.223 0.145 0.000 2.349 349 L HA 0.831 5.172 4.340 0.001 0.000 0.278 349 L C 0.246 177.300 176.870 0.308 0.000 0.996 349 L CA -0.566 54.390 54.840 0.193 0.000 0.825 349 L CB 0.672 42.819 42.059 0.146 0.000 1.243 349 L HN 1.122 nan 8.230 nan 0.000 0.412 350 A N 6.724 129.766 122.820 0.370 0.000 2.303 350 A HA 0.878 5.199 4.320 0.001 0.000 0.317 350 A C -0.990 176.941 177.584 0.579 0.000 1.149 350 A CA -0.554 51.728 52.037 0.408 0.000 0.822 350 A CB 0.846 20.085 19.000 0.397 0.000 1.131 350 A HN 0.816 nan 8.150 nan 0.000 0.493 351 W N -1.133 120.326 121.300 0.265 0.000 3.042 351 W HA 0.776 5.437 4.660 0.000 0.000 0.342 351 W C -0.963 175.687 176.519 0.218 0.000 1.240 351 W CA -0.756 56.741 57.345 0.253 0.000 1.166 351 W CB 1.184 30.725 29.460 0.135 0.000 1.469 351 W HN 1.505 nan 8.180 nan 0.000 0.579 352 A N 1.775 124.819 122.820 0.373 0.000 2.565 352 A HA 0.629 4.949 4.320 0.001 0.000 0.298 352 A C -1.227 176.593 177.584 0.394 0.000 1.062 352 A CA -1.022 51.116 52.037 0.169 0.000 0.723 352 A CB 1.418 20.467 19.000 0.081 0.000 1.282 352 A HN 0.605 nan 8.150 nan 0.000 0.400 353 R N 0.583 121.306 120.500 0.372 0.000 2.459 353 R HA 0.539 4.880 4.340 0.001 0.000 0.281 353 R C -0.770 175.716 176.300 0.309 0.000 1.050 353 R CA -0.587 55.711 56.100 0.329 0.000 1.055 353 R CB 1.479 31.947 30.300 0.280 0.000 1.045 353 R HN 0.407 nan 8.270 nan 0.000 0.495 354 V N 3.918 123.964 119.914 0.220 0.000 2.304 354 V HA 0.148 4.268 4.120 0.001 0.000 0.269 354 V C 0.188 176.275 176.094 -0.010 0.000 1.036 354 V CA -0.360 61.998 62.300 0.096 0.000 0.840 354 V CB 0.783 32.672 31.823 0.110 0.000 1.036 354 V HN 0.654 nan 8.190 nan 0.000 0.466 355 E N 2.346 122.497 120.200 -0.082 0.000 2.284 355 E HA 0.316 4.666 4.350 0.001 0.000 0.255 355 E C 0.006 176.534 176.600 -0.119 0.000 1.052 355 E CA -0.831 55.529 56.400 -0.067 0.000 0.904 355 E CB 1.144 30.821 29.700 -0.038 0.000 1.217 355 E HN 0.689 nan 8.360 nan 0.000 0.438 356 E N 0.198 120.350 120.200 -0.080 0.000 2.292 356 E HA 0.184 4.535 4.350 0.001 0.000 0.265 356 E C 0.093 176.631 176.600 -0.104 0.000 1.093 356 E CA 0.355 56.706 56.400 -0.082 0.000 0.922 356 E CB -0.389 29.281 29.700 -0.050 0.000 1.001 356 E HN 0.681 nan 8.360 nan 0.000 0.444 357 G N 3.140 111.858 108.800 -0.136 0.000 2.272 357 G HA2 -0.130 3.830 3.960 0.001 0.000 0.280 357 G HA3 -0.130 3.830 3.960 0.001 0.000 0.280 357 G C 0.282 175.074 174.900 -0.179 0.000 1.067 357 G CA 0.107 45.124 45.100 -0.138 0.000 0.902 357 G HN 1.084 nan 8.290 nan 0.000 0.500 358 G N -2.049 106.555 108.800 -0.327 0.000 2.337 358 G HA2 0.576 4.537 3.960 0.001 0.000 0.298 358 G HA3 0.576 4.537 3.960 0.001 0.000 0.298 358 G C -0.855 173.727 174.900 -0.530 0.000 1.335 358 G CA -0.479 44.408 45.100 -0.355 0.000 0.875 358 G HN 0.825 nan 8.290 nan 0.000 0.579 359 F N 0.533 120.486 119.950 0.006 0.000 2.575 359 F HA 0.850 5.377 4.527 0.001 0.000 0.330 359 F C 0.761 176.558 175.800 -0.005 0.000 1.056 359 F CA -0.271 57.739 58.000 0.017 0.000 0.964 359 F CB 2.684 41.698 39.000 0.024 0.000 1.258 359 F HN 0.728 nan 8.300 nan 0.000 0.484 360 S N 0.160 115.983 115.700 0.205 0.000 2.546 360 S HA 0.832 5.302 4.470 0.001 0.000 0.274 360 S C -0.494 174.122 174.600 0.025 0.000 1.121 360 S CA -0.411 57.845 58.200 0.095 0.000 0.887 360 S CB 1.369 64.626 63.200 0.095 0.000 1.094 360 S HN 1.782 nan 8.310 nan 0.000 0.474 361 G N 0.886 109.644 108.800 -0.070 0.000 2.880 361 G HA2 0.333 4.293 3.960 0.001 0.000 0.617 361 G HA3 0.333 4.293 3.960 0.001 0.000 0.617 361 G C 0.886 175.342 174.900 -0.740 0.000 1.493 361 G CA 0.242 45.168 45.100 -0.289 0.000 0.916 361 G HN 2.574 nan 8.290 nan 0.000 0.553 362 G N -1.289 106.789 108.800 -1.203 0.000 2.622 362 G HA2 -0.070 3.890 3.960 0.001 0.000 0.307 362 G HA3 -0.070 3.890 3.960 0.001 0.000 0.307 362 G C 1.402 175.944 174.900 -0.597 0.000 1.226 362 G CA 2.125 46.460 45.100 -1.275 0.000 0.997 362 G HN 2.348 nan 8.290 nan 0.000 0.551 363 V N 2.037 121.635 119.914 -0.527 0.000 3.252 363 V HA 0.534 4.655 4.120 0.001 0.000 0.350 363 V C 2.445 178.367 176.094 -0.286 0.000 1.329 363 V CA 1.260 63.307 62.300 -0.421 0.000 1.258 363 V CB -0.502 30.915 31.823 -0.677 0.000 1.208 363 V HN 1.625 nan 8.190 nan 0.000 0.462 364 A N 0.792 123.468 122.820 -0.240 0.000 1.927 364 A HA -0.304 4.016 4.320 0.001 0.000 0.220 364 A C 2.204 179.710 177.584 -0.131 0.000 1.185 364 A CA 2.454 54.410 52.037 -0.136 0.000 0.639 364 A CB -0.525 18.467 19.000 -0.013 0.000 0.820 364 A HN 0.674 nan 8.150 nan 0.000 0.451 365 K N -1.439 118.857 120.400 -0.173 0.000 2.152 365 K HA -0.163 4.158 4.320 0.001 0.000 0.206 365 K C 1.209 177.543 176.600 -0.444 0.000 1.048 365 K CA 1.785 57.886 56.287 -0.310 0.000 0.933 365 K CB -0.314 31.919 32.500 -0.445 0.000 0.721 365 K HN 0.444 nan 8.250 nan 0.000 0.447 366 F N 0.654 120.366 119.950 -0.395 0.000 2.789 366 F HA 0.125 4.652 4.527 0.001 0.000 0.300 366 F C 1.569 177.184 175.800 -0.307 0.000 1.132 366 F CA 0.222 57.979 58.000 -0.404 0.000 1.404 366 F CB 0.139 38.682 39.000 -0.760 0.000 1.114 366 F HN -0.073 nan 8.300 nan 0.000 0.584 367 L N -0.916 120.192 121.223 -0.190 0.000 2.298 367 L HA 0.020 4.360 4.340 0.001 0.000 0.209 367 L C 2.357 179.148 176.870 -0.133 0.000 1.084 367 L CA 0.466 55.122 54.840 -0.307 0.000 0.816 367 L CB -0.413 41.139 42.059 -0.845 0.000 0.967 367 L HN -0.036 nan 8.230 nan 0.000 0.460 368 E N 1.482 121.686 120.200 0.008 0.000 2.097 368 E HA -0.190 4.160 4.350 0.001 0.000 0.196 368 E C -0.647 175.980 176.600 0.044 0.000 1.000 368 E CA 1.623 58.103 56.400 0.134 0.000 0.804 368 E CB -1.059 28.679 29.700 0.063 0.000 0.740 368 E HN 0.308 nan 8.360 nan 0.000 0.454 369 P HA -0.077 nan 4.420 nan 0.000 0.234 369 P C 0.515 177.774 177.300 -0.068 0.000 1.167 369 P CA 1.277 64.343 63.100 -0.056 0.000 0.763 369 P CB 0.131 31.784 31.700 -0.079 0.000 0.835 370 V N -5.302 114.567 119.914 -0.074 0.000 3.329 370 V HA 0.330 4.451 4.120 0.001 0.000 0.317 370 V C 2.210 178.316 176.094 0.020 0.000 1.495 370 V CA -0.426 61.817 62.300 -0.096 0.000 1.105 370 V CB -0.516 31.131 31.823 -0.293 0.000 0.985 370 V HN -0.165 nan 8.190 nan 0.000 0.475 371 R N 1.373 121.957 120.500 0.141 0.000 2.162 371 R HA -0.324 4.017 4.340 0.001 0.000 0.245 371 R C 2.179 178.594 176.300 0.191 0.000 1.129 371 R CA 2.899 59.188 56.100 0.315 0.000 0.940 371 R CB -0.218 30.248 30.300 0.277 0.000 0.875 371 R HN 0.676 nan 8.270 nan 0.000 0.437 372 E N -0.057 120.199 120.200 0.094 0.000 2.038 372 E HA -0.173 4.178 4.350 0.001 0.000 0.195 372 E C 1.718 178.356 176.600 0.064 0.000 1.000 372 E CA 2.067 58.504 56.400 0.061 0.000 0.803 372 E CB -0.393 29.325 29.700 0.030 0.000 0.750 372 E HN 0.476 nan 8.360 nan 0.000 0.448 373 A N 0.133 122.981 122.820 0.047 0.000 1.972 373 A HA -0.106 4.214 4.320 0.001 0.000 0.219 373 A C 2.192 179.820 177.584 0.074 0.000 1.169 373 A CA 1.466 53.528 52.037 0.040 0.000 0.635 373 A CB -0.687 18.316 19.000 0.005 0.000 0.810 373 A HN 0.381 nan 8.150 nan 0.000 0.446 374 L N -0.894 120.394 121.223 0.107 0.000 2.072 374 L HA -0.016 4.324 4.340 0.001 0.000 0.205 374 L C 2.058 179.043 176.870 0.191 0.000 1.079 374 L CA 1.531 56.477 54.840 0.177 0.000 0.752 374 L CB -0.616 41.578 42.059 0.226 0.000 0.906 374 L HN 0.254 nan 8.230 nan 0.000 0.436 375 L N -0.664 120.675 121.223 0.193 0.000 2.191 375 L HA -0.185 4.155 4.340 0.001 0.000 0.212 375 L C 2.539 179.467 176.870 0.096 0.000 1.103 375 L CA 1.532 56.464 54.840 0.152 0.000 0.769 375 L CB -0.800 41.328 42.059 0.116 0.000 0.908 375 L HN 0.414 nan 8.230 nan 0.000 0.438 376 Q N -1.403 118.446 119.800 0.081 0.000 2.033 376 Q HA -0.060 4.280 4.340 0.001 0.000 0.196 376 Q C 2.429 178.462 176.000 0.055 0.000 0.970 376 Q CA 1.252 57.088 55.803 0.055 0.000 0.828 376 Q CB -0.311 28.454 28.738 0.044 0.000 0.895 376 Q HN 0.522 nan 8.270 nan 0.000 0.440 377 A N 1.060 123.920 122.820 0.068 0.000 1.940 377 A HA -0.200 4.120 4.320 0.001 0.000 0.219 377 A C 2.233 179.850 177.584 0.055 0.000 1.176 377 A CA 2.140 54.215 52.037 0.063 0.000 0.631 377 A CB -0.830 18.223 19.000 0.087 0.000 0.814 377 A HN 0.536 nan 8.150 nan 0.000 0.446 378 T N -4.377 110.221 114.554 0.074 0.000 3.037 378 T HA 0.212 4.562 4.350 0.001 0.000 0.251 378 T C 0.511 175.237 174.700 0.043 0.000 1.079 378 T CA 0.753 62.885 62.100 0.053 0.000 1.067 378 T CB -0.193 68.718 68.868 0.072 0.000 0.948 378 T HN 0.587 nan 8.240 nan 0.000 0.496 379 E N 0.408 120.638 120.200 0.051 0.000 2.971 379 E HA -0.181 4.169 4.350 0.001 0.000 0.278 379 E C 0.303 176.928 176.600 0.043 0.000 1.009 379 E CA 0.058 56.482 56.400 0.039 0.000 0.862 379 E CB -1.981 27.733 29.700 0.024 0.000 1.436 379 E HN 0.850 nan 8.360 nan 0.000 0.434 380 A N 0.869 123.728 122.820 0.064 0.000 2.407 380 A HA 0.527 4.848 4.320 0.001 0.000 0.248 380 A C 0.443 178.058 177.584 0.053 0.000 1.082 380 A CA 0.154 52.231 52.037 0.067 0.000 0.785 380 A CB 0.577 19.643 19.000 0.110 0.000 1.020 380 A HN 0.216 nan 8.150 nan 0.000 0.489 381 R N 0.905 121.428 120.500 0.038 0.000 2.919 381 R HA 0.473 4.813 4.340 0.001 0.000 0.260 381 R C -2.884 173.423 176.300 0.012 0.000 1.067 381 R CA -2.077 54.033 56.100 0.018 0.000 1.003 381 R CB 1.028 31.336 30.300 0.012 0.000 1.192 381 R HN 0.393 nan 8.270 nan 0.000 0.488 382 P HA -0.013 nan 4.420 nan 0.000 0.265 382 P C 0.405 177.708 177.300 0.006 0.000 1.193 382 P CA 1.181 64.272 63.100 -0.015 0.000 0.765 382 P CB 0.552 32.235 31.700 -0.028 0.000 0.823 383 G N 1.823 110.634 108.800 0.018 0.000 2.232 383 G HA2 -0.163 3.797 3.960 0.001 0.000 0.226 383 G HA3 -0.163 3.797 3.960 0.001 0.000 0.226 383 G C 0.035 174.959 174.900 0.041 0.000 0.996 383 G CA -0.333 44.783 45.100 0.026 0.000 0.626 383 G HN 0.495 nan 8.290 nan 0.000 0.509 384 D N 0.833 121.263 120.400 0.050 0.000 2.383 384 D HA 0.599 5.239 4.640 0.001 0.000 0.248 384 D C 0.187 176.548 176.300 0.101 0.000 1.170 384 D CA 0.543 54.580 54.000 0.061 0.000 0.977 384 D CB 1.078 41.913 40.800 0.058 0.000 1.120 384 D HN 0.087 nan 8.370 nan 0.000 0.481 385 T N 0.741 115.352 114.554 0.095 0.000 2.824 385 T HA 0.465 4.816 4.350 0.001 0.000 0.282 385 T C 0.015 174.780 174.700 0.108 0.000 0.993 385 T CA -0.594 61.592 62.100 0.142 0.000 0.967 385 T CB 0.861 69.796 68.868 0.113 0.000 0.960 385 T HN 0.064 nan 8.240 nan 0.000 0.441 386 L N 4.037 125.350 121.223 0.151 0.000 2.289 386 L HA 0.558 4.898 4.340 0.001 0.000 0.285 386 L C -0.796 176.029 176.870 -0.074 0.000 1.049 386 L CA -1.016 53.808 54.840 -0.028 0.000 0.804 386 L CB 0.894 42.962 42.059 0.014 0.000 1.195 386 L HN 0.240 nan 8.230 nan 0.000 0.428 387 L N 3.513 124.551 121.223 -0.307 0.000 2.354 387 L HA 0.611 4.951 4.340 0.001 0.000 0.269 387 L C -0.652 175.944 176.870 -0.456 0.000 1.005 387 L CA -0.354 54.397 54.840 -0.149 0.000 0.819 387 L CB 1.596 43.632 42.059 -0.040 0.000 1.311 387 L HN 0.353 nan 8.230 nan 0.000 0.423 388 F N 0.703 120.717 119.950 0.106 0.000 2.599 388 F HA 0.727 5.255 4.527 0.001 0.000 0.311 388 F C -0.138 175.656 175.800 -0.011 0.000 1.076 388 F CA -0.963 57.044 58.000 0.012 0.000 0.937 388 F CB 2.283 41.306 39.000 0.037 0.000 1.282 388 F HN -0.031 nan 8.300 nan 0.000 0.460 389 V N 1.951 121.912 119.914 0.078 0.000 2.567 389 V HA 0.783 4.903 4.120 0.001 0.000 0.298 389 V C -0.797 175.235 176.094 -0.103 0.000 1.047 389 V CA -0.816 61.491 62.300 0.011 0.000 0.880 389 V CB 1.569 33.390 31.823 -0.004 0.000 1.009 389 V HN 0.947 nan 8.190 nan 0.000 0.429 390 A N 3.392 126.138 122.820 -0.122 0.000 2.330 390 A HA 1.059 5.380 4.320 0.001 0.000 0.327 390 A C 0.351 177.870 177.584 -0.108 0.000 1.155 390 A CA 0.223 52.139 52.037 -0.201 0.000 0.803 390 A CB 1.655 20.484 19.000 -0.286 0.000 1.208 390 A HN 1.773 nan 8.150 nan 0.000 0.477 391 G N 0.960 109.697 108.800 -0.105 0.000 2.368 391 G HA2 0.408 4.369 3.960 0.001 0.000 0.269 391 G HA3 0.408 4.369 3.960 0.001 0.000 0.269 391 G C -3.451 171.418 174.900 -0.053 0.000 1.291 391 G CA -0.631 44.430 45.100 -0.066 0.000 0.903 391 G HN 0.553 nan 8.290 nan 0.000 0.483 392 P HA 0.271 nan 4.420 nan 0.000 0.264 392 P C 0.762 178.052 177.300 -0.017 0.000 1.193 392 P CA -0.106 62.983 63.100 -0.018 0.000 0.763 392 P CB 1.088 32.784 31.700 -0.006 0.000 0.810 393 R N 4.946 125.437 120.500 -0.015 0.000 2.140 393 R HA -0.239 4.102 4.340 0.001 0.000 0.250 393 R C 1.390 177.686 176.300 -0.007 0.000 1.150 393 R CA 2.072 58.161 56.100 -0.017 0.000 0.966 393 R CB -0.597 29.697 30.300 -0.010 0.000 0.869 393 R HN 0.397 nan 8.270 nan 0.000 0.445 394 K N -0.941 119.469 120.400 0.016 0.000 2.103 394 K HA -0.008 4.312 4.320 0.001 0.000 0.204 394 K C 1.992 178.613 176.600 0.034 0.000 1.052 394 K CA 1.358 57.667 56.287 0.037 0.000 0.945 394 K CB 0.026 32.572 32.500 0.077 0.000 0.722 394 K HN 0.033 nan 8.250 nan 0.000 0.443 395 V N 1.489 121.417 119.914 0.024 0.000 2.379 395 V HA -0.211 3.910 4.120 0.001 0.000 0.245 395 V C 2.366 178.466 176.094 0.010 0.000 1.044 395 V CA 1.950 64.264 62.300 0.024 0.000 1.036 395 V CB -0.590 31.240 31.823 0.012 0.000 0.664 395 V HN 0.313 nan 8.190 nan 0.000 0.453 396 A N 0.219 123.031 122.820 -0.013 0.000 1.865 396 A HA -0.165 4.156 4.320 0.001 0.000 0.217 396 A C 2.442 180.006 177.584 -0.032 0.000 1.191 396 A CA 2.353 54.371 52.037 -0.031 0.000 0.623 396 A CB -0.930 18.036 19.000 -0.057 0.000 0.826 396 A HN 0.560 nan 8.150 nan 0.000 0.444 397 A N -0.316 122.486 122.820 -0.031 0.000 1.858 397 A HA -0.129 4.191 4.320 0.001 0.000 0.216 397 A C 2.505 180.074 177.584 -0.025 0.000 1.190 397 A CA 2.921 54.936 52.037 -0.036 0.000 0.617 397 A CB -1.601 17.374 19.000 -0.043 0.000 0.827 397 A HN 0.823 nan 8.150 nan 0.000 0.443 398 T N -1.652 112.904 114.554 0.003 0.000 2.684 398 T HA -0.034 4.317 4.350 0.001 0.000 0.267 398 T C 1.984 176.653 174.700 -0.051 0.000 1.036 398 T CA 2.045 64.159 62.100 0.023 0.000 1.148 398 T CB -0.810 68.118 68.868 0.100 0.000 0.863 398 T HN 0.641 nan 8.240 nan 0.000 0.436 399 A N 1.543 124.341 122.820 -0.037 0.000 1.858 399 A HA 0.142 4.462 4.320 0.001 0.000 0.216 399 A C 2.488 179.994 177.584 -0.130 0.000 1.190 399 A CA 1.499 53.480 52.037 -0.092 0.000 0.617 399 A CB -1.100 17.896 19.000 -0.006 0.000 0.827 399 A HN 0.525 nan 8.150 nan 0.000 0.443 400 L N -0.674 120.505 121.223 -0.073 0.000 2.201 400 L HA -0.092 4.248 4.340 0.001 0.000 0.212 400 L C 2.556 179.389 176.870 -0.062 0.000 1.105 400 L CA 0.935 55.737 54.840 -0.063 0.000 0.775 400 L CB -0.529 41.498 42.059 -0.053 0.000 0.913 400 L HN 0.524 nan 8.230 nan 0.000 0.440 401 G N -0.773 107.987 108.800 -0.066 0.000 2.418 401 G HA2 -0.276 3.684 3.960 0.001 0.000 0.217 401 G HA3 -0.276 3.684 3.960 0.001 0.000 0.217 401 G C 1.666 176.533 174.900 -0.056 0.000 1.158 401 G CA 0.708 45.788 45.100 -0.034 0.000 0.771 401 G HN 0.504 nan 8.290 nan 0.000 0.545 402 A N 0.064 122.777 122.820 -0.178 0.000 1.930 402 A HA 0.128 4.449 4.320 0.001 0.000 0.217 402 A C 2.580 180.094 177.584 -0.117 0.000 1.175 402 A CA 1.661 53.560 52.037 -0.229 0.000 0.627 402 A CB -0.522 18.060 19.000 -0.698 0.000 0.815 402 A HN 0.242 nan 8.150 nan 0.000 0.443 403 V N 0.070 119.921 119.914 -0.105 0.000 2.343 403 V HA -0.251 3.869 4.120 0.001 0.000 0.247 403 V C 2.625 178.710 176.094 -0.016 0.000 1.051 403 V CA 2.212 64.480 62.300 -0.053 0.000 1.036 403 V CB -0.791 31.005 31.823 -0.045 0.000 0.654 403 V HN 0.654 nan 8.190 nan 0.000 0.451 404 R N -0.281 120.230 120.500 0.019 0.000 2.091 404 R HA -0.161 4.179 4.340 0.001 0.000 0.238 404 R C 2.267 178.653 176.300 0.142 0.000 1.136 404 R CA 1.677 57.837 56.100 0.101 0.000 0.959 404 R CB -0.251 30.141 30.300 0.154 0.000 0.856 404 R HN 0.452 nan 8.270 nan 0.000 0.437 405 L N -0.106 121.193 121.223 0.125 0.000 2.005 405 L HA -0.136 4.204 4.340 0.001 0.000 0.207 405 L C 2.737 179.605 176.870 -0.003 0.000 1.072 405 L CA 1.221 56.134 54.840 0.121 0.000 0.744 405 L CB -0.447 41.669 42.059 0.096 0.000 0.895 405 L HN 0.130 nan 8.230 nan 0.000 0.433 406 R N 0.852 121.343 120.500 -0.016 0.000 2.120 406 R HA -0.116 4.225 4.340 0.001 0.000 0.234 406 R C 2.068 178.323 176.300 -0.075 0.000 1.123 406 R CA 1.590 57.666 56.100 -0.041 0.000 0.975 406 R CB -0.666 29.617 30.300 -0.029 0.000 0.866 406 R HN 0.337 nan 8.270 nan 0.000 0.446 407 A N 0.047 122.821 122.820 -0.077 0.000 1.969 407 A HA 0.032 4.352 4.320 0.001 0.000 0.218 407 A C 2.323 179.799 177.584 -0.180 0.000 1.169 407 A CA 1.485 53.461 52.037 -0.102 0.000 0.635 407 A CB -0.853 18.106 19.000 -0.069 0.000 0.810 407 A HN 0.445 nan 8.150 nan 0.000 0.445 408 A N 0.132 122.780 122.820 -0.286 0.000 1.972 408 A HA -0.177 4.143 4.320 0.001 0.000 0.219 408 A C 1.748 179.148 177.584 -0.307 0.000 1.169 408 A CA 1.784 53.520 52.037 -0.502 0.000 0.635 408 A CB -0.431 18.006 19.000 -0.938 0.000 0.810 408 A HN 0.508 nan 8.150 nan 0.000 0.446 409 D N 0.300 120.580 120.400 -0.200 0.000 2.091 409 D HA -0.088 4.552 4.640 0.001 0.000 0.199 409 D C 2.094 178.324 176.300 -0.118 0.000 0.980 409 D CA 1.142 55.059 54.000 -0.139 0.000 0.831 409 D CB -0.450 40.293 40.800 -0.096 0.000 0.987 409 D HN 0.434 nan 8.370 nan 0.000 0.460 410 L N 0.738 121.897 121.223 -0.107 0.000 2.013 410 L HA -0.163 4.178 4.340 0.001 0.000 0.212 410 L C 2.527 179.341 176.870 -0.093 0.000 1.073 410 L CA 0.978 55.764 54.840 -0.090 0.000 0.753 410 L CB -0.625 41.384 42.059 -0.084 0.000 0.890 410 L HN 0.045 nan 8.230 nan 0.000 0.432 411 L N -0.080 121.076 121.223 -0.112 0.000 2.465 411 L HA 0.052 4.393 4.340 0.001 0.000 0.224 411 L C 1.442 178.249 176.870 -0.105 0.000 1.145 411 L CA 0.564 55.342 54.840 -0.104 0.000 0.834 411 L CB -0.963 41.028 42.059 -0.115 0.000 0.944 411 L HN 0.553 nan 8.230 nan 0.000 0.451 412 G N 1.097 109.826 108.800 -0.119 0.000 2.273 412 G HA2 -0.273 3.688 3.960 0.001 0.000 0.280 412 G HA3 -0.273 3.688 3.960 0.001 0.000 0.280 412 G C 0.026 174.855 174.900 -0.118 0.000 1.047 412 G CA -0.199 44.836 45.100 -0.109 0.000 0.869 412 G HN 0.125 nan 8.290 nan 0.000 0.502 413 L N -0.298 120.825 121.223 -0.166 0.000 2.483 413 L HA 0.281 4.621 4.340 0.001 0.000 0.275 413 L C 1.246 178.037 176.870 -0.131 0.000 1.220 413 L CA 0.616 55.359 54.840 -0.161 0.000 0.833 413 L CB 0.394 42.295 42.059 -0.264 0.000 1.102 413 L HN 0.233 nan 8.230 nan 0.000 0.490 414 K N 3.497 123.847 120.400 -0.083 0.000 2.284 414 K HA 0.289 4.609 4.320 0.001 0.000 0.287 414 K C -0.423 176.150 176.600 -0.045 0.000 1.081 414 K CA -0.110 56.139 56.287 -0.064 0.000 0.910 414 K CB 0.375 32.847 32.500 -0.047 0.000 1.088 414 K HN 0.358 nan 8.250 nan 0.000 0.478 415 R N 3.012 123.477 120.500 -0.058 0.000 2.423 415 R HA 0.187 4.528 4.340 0.001 0.000 0.293 415 R C -0.460 175.786 176.300 -0.089 0.000 1.196 415 R CA -0.441 55.640 56.100 -0.031 0.000 1.262 415 R CB 0.757 31.052 30.300 -0.009 0.000 1.116 415 R HN 0.446 nan 8.270 nan 0.000 0.566 416 E N 0.732 120.864 120.200 -0.113 0.000 2.359 416 E HA 0.656 5.006 4.350 0.001 0.000 0.266 416 E C 0.360 176.807 176.600 -0.254 0.000 0.920 416 E CA -0.572 55.715 56.400 -0.187 0.000 0.788 416 E CB 2.310 31.921 29.700 -0.148 0.000 1.279 416 E HN 0.549 nan 8.360 nan 0.000 0.438 417 G N 0.299 108.840 108.800 -0.431 0.000 2.631 417 G HA2 -0.148 3.813 3.960 0.001 0.000 0.504 417 G HA3 -0.148 3.813 3.960 0.001 0.000 0.504 417 G C -1.225 173.212 174.900 -0.771 0.000 1.306 417 G CA -0.861 43.927 45.100 -0.520 0.000 0.897 417 G HN 0.248 nan 8.290 nan 0.000 0.520 418 F N 0.896 120.755 119.950 -0.152 0.000 2.445 418 F HA 0.630 5.158 4.527 0.001 0.000 0.348 418 F C 0.673 176.238 175.800 -0.391 0.000 1.125 418 F CA -0.881 56.934 58.000 -0.307 0.000 0.983 418 F CB 1.969 40.780 39.000 -0.315 0.000 1.198 418 F HN 0.168 nan 8.300 nan 0.000 0.436 419 R N 4.064 124.372 120.500 -0.321 0.000 2.275 419 R HA 0.383 4.724 4.340 0.001 0.000 0.326 419 R C -1.164 174.836 176.300 -0.499 0.000 0.973 419 R CA -0.629 55.271 56.100 -0.333 0.000 0.854 419 R CB 0.763 30.907 30.300 -0.260 0.000 1.156 419 R HN 0.493 nan 8.270 nan 0.000 0.487 420 F N 3.424 122.999 119.950 -0.625 0.000 2.377 420 F HA 0.576 5.103 4.527 0.001 0.000 0.328 420 F C 0.754 176.129 175.800 -0.708 0.000 1.094 420 F CA -0.669 56.808 58.000 -0.871 0.000 1.093 420 F CB 1.192 39.142 39.000 -1.749 0.000 1.214 420 F HN 0.313 nan 8.300 nan 0.000 0.518 421 L N -0.735 120.282 121.223 -0.344 0.000 2.653 421 L HA 0.578 4.919 4.340 0.001 0.000 0.257 421 L C -2.355 174.432 176.870 -0.138 0.000 0.969 421 L CA -1.037 53.693 54.840 -0.183 0.000 0.869 421 L CB 1.555 43.552 42.059 -0.102 0.000 1.439 421 L HN 0.609 nan 8.230 nan 0.000 0.414 422 W N 1.647 123.034 121.300 0.145 0.000 2.478 422 W HA 0.739 5.399 4.660 0.001 0.000 0.318 422 W C -0.701 175.920 176.519 0.171 0.000 1.062 422 W CA -0.908 56.544 57.345 0.178 0.000 1.210 422 W CB 2.147 31.710 29.460 0.170 0.000 1.325 422 W HN 0.245 nan 8.180 nan 0.000 0.496 423 V N 5.405 125.626 119.914 0.512 0.000 2.384 423 V HA 0.483 4.603 4.120 0.001 0.000 0.287 423 V C 0.114 176.507 176.094 0.499 0.000 1.020 423 V CA -0.836 61.691 62.300 0.378 0.000 0.850 423 V CB 0.652 32.688 31.823 0.353 0.000 0.987 423 V HN 0.436 nan 8.190 nan 0.000 0.436 424 V N 0.824 120.915 119.914 0.294 0.000 3.181 424 V HA 0.733 4.854 4.120 0.001 0.000 0.314 424 V C 0.029 176.224 176.094 0.170 0.000 1.173 424 V CA -0.905 61.581 62.300 0.311 0.000 1.052 424 V CB 1.839 33.798 31.823 0.227 0.000 1.123 424 V HN 0.741 nan 8.190 nan 0.000 0.454 425 D N -0.252 120.279 120.400 0.218 0.000 2.723 425 D HA -0.168 4.472 4.640 0.001 0.000 0.236 425 D C -0.451 175.926 176.300 0.128 0.000 1.138 425 D CA 0.944 55.040 54.000 0.160 0.000 0.676 425 D CB -1.103 39.760 40.800 0.104 0.000 1.069 425 D HN 0.514 nan 8.370 nan 0.000 0.430 426 F N 0.453 120.426 119.950 0.039 0.000 2.440 426 F HA 0.292 4.819 4.527 0.001 0.000 0.323 426 F C -1.080 174.691 175.800 -0.048 0.000 1.192 426 F CA -1.319 56.632 58.000 -0.082 0.000 1.252 426 F CB 0.035 39.029 39.000 -0.009 0.000 1.214 426 F HN -0.138 nan 8.300 nan 0.000 0.578 427 P HA 0.038 nan 4.420 nan 0.000 0.276 427 P C 0.395 177.683 177.300 -0.020 0.000 1.244 427 P CA -0.294 62.794 63.100 -0.020 0.000 0.801 427 P CB 1.315 32.963 31.700 -0.087 0.000 1.006 428 L N 2.267 123.456 121.223 -0.057 0.000 2.095 428 L HA 0.102 4.442 4.340 0.001 0.000 0.204 428 L C 0.716 177.469 176.870 -0.195 0.000 1.080 428 L CA 1.629 56.421 54.840 -0.081 0.000 0.759 428 L CB -0.616 41.393 42.059 -0.083 0.000 0.914 428 L HN 0.263 nan 8.230 nan 0.000 0.439 429 L N -0.199 120.897 121.223 -0.211 0.000 2.334 429 L HA 0.398 4.739 4.340 0.001 0.000 0.272 429 L C 0.477 177.260 176.870 -0.145 0.000 1.020 429 L CA -0.812 53.924 54.840 -0.172 0.000 0.812 429 L CB 1.291 43.209 42.059 -0.234 0.000 1.264 429 L HN -0.016 nan 8.230 nan 0.000 0.439 430 E N 0.813 120.927 120.200 -0.142 0.000 2.790 430 E HA 0.131 4.481 4.350 0.001 0.000 0.256 430 E C -1.032 175.559 176.600 -0.016 0.000 1.246 430 E CA -0.415 55.807 56.400 -0.296 0.000 1.041 430 E CB 0.716 30.048 29.700 -0.613 0.000 1.272 430 E HN 0.448 nan 8.360 nan 0.000 0.603 431 W N 2.671 124.019 121.300 0.080 0.000 2.429 431 W HA 0.201 4.862 4.660 0.001 0.000 0.431 431 W C 0.312 176.833 176.519 0.003 0.000 1.038 431 W CA -0.903 56.479 57.345 0.061 0.000 1.635 431 W CB -0.564 28.919 29.460 0.038 0.000 1.721 431 W HN 0.241 nan 8.180 nan 0.000 0.366 432 D N 1.755 122.262 120.400 0.179 0.000 2.328 432 D HA -0.034 4.607 4.640 0.001 0.000 0.226 432 D C 0.202 176.468 176.300 -0.056 0.000 1.066 432 D CA 0.150 54.163 54.000 0.023 0.000 0.861 432 D CB 0.049 40.764 40.800 -0.141 0.000 0.912 432 D HN 0.651 nan 8.370 nan 0.000 0.521 433 E N -0.514 119.684 120.200 -0.004 0.000 4.014 433 E HA -0.254 4.096 4.350 0.001 0.000 0.209 433 E C -0.123 176.402 176.600 -0.125 0.000 1.457 433 E CA 1.021 57.394 56.400 -0.046 0.000 2.314 433 E CB -0.743 28.930 29.700 -0.045 0.000 2.109 433 E HN 0.083 nan 8.360 nan 0.000 0.486 434 E N 0.086 120.225 120.200 -0.103 0.000 2.481 434 E HA 0.065 4.415 4.350 0.001 0.000 0.198 434 E C 1.313 177.840 176.600 -0.122 0.000 1.027 434 E CA 0.736 57.066 56.400 -0.118 0.000 0.900 434 E CB 0.200 29.855 29.700 -0.075 0.000 0.993 434 E HN 0.395 nan 8.360 nan 0.000 0.482 435 E N 0.495 120.627 120.200 -0.113 0.000 2.008 435 E HA -0.145 4.206 4.350 0.001 0.000 0.191 435 E C 0.630 177.158 176.600 -0.121 0.000 0.986 435 E CA 1.463 57.804 56.400 -0.097 0.000 0.807 435 E CB 0.354 30.009 29.700 -0.075 0.000 0.766 435 E HN 0.188 nan 8.360 nan 0.000 0.450 436 E N -0.229 119.880 120.200 -0.152 0.000 4.039 436 E HA 0.488 4.838 4.350 0.001 0.000 0.144 436 E C -0.710 175.731 176.600 -0.265 0.000 1.036 436 E CA -0.235 56.066 56.400 -0.165 0.000 0.882 436 E CB -0.483 29.161 29.700 -0.094 0.000 1.874 436 E HN 0.153 nan 8.360 nan 0.000 0.392 437 A N 0.235 122.957 122.820 -0.163 0.000 2.425 437 A HA 0.329 4.650 4.320 0.001 0.000 0.242 437 A C -0.233 177.286 177.584 -0.107 0.000 1.077 437 A CA -0.502 51.468 52.037 -0.111 0.000 0.781 437 A CB -0.282 18.743 19.000 0.042 0.000 1.020 437 A HN 0.378 nan 8.150 nan 0.000 0.494 438 W N 0.009 121.309 121.300 0.000 0.000 1.777 438 W HA 0.371 5.031 4.660 0.001 0.000 0.376 438 W C 0.128 176.623 176.519 -0.041 0.000 1.628 438 W CA 0.228 57.564 57.345 -0.016 0.000 1.760 438 W CB 0.600 30.049 29.460 -0.018 0.000 1.367 438 W HN 0.649 nan 8.180 nan 0.000 0.722 439 T N -0.204 114.466 114.554 0.195 0.000 2.841 439 T HA 0.296 4.646 4.350 0.001 0.000 0.296 439 T C -1.057 173.598 174.700 -0.075 0.000 1.166 439 T CA -0.620 61.460 62.100 -0.034 0.000 1.007 439 T CB 1.478 70.240 68.868 -0.177 0.000 1.253 439 T HN 0.153 nan 8.240 nan 0.000 0.511 440 Y N 0.101 120.377 120.300 -0.041 0.000 2.304 440 Y HA 0.625 5.175 4.550 0.001 0.000 0.327 440 Y C 1.208 176.963 175.900 -0.241 0.000 1.209 440 Y CA -1.245 56.773 58.100 -0.138 0.000 1.299 440 Y CB 0.477 38.872 38.460 -0.107 0.000 1.249 440 Y HN 0.663 nan 8.280 nan 0.000 0.519 441 M N 1.557 121.033 119.600 -0.208 0.000 2.461 441 M HA 0.059 4.539 4.480 0.001 0.000 0.255 441 M C 0.142 176.178 176.300 -0.440 0.000 1.137 441 M CA 0.765 55.792 55.300 -0.455 0.000 1.086 441 M CB 0.190 32.362 32.600 -0.713 0.000 1.356 441 M HN 0.901 nan 8.290 nan 0.000 0.487 442 H N -1.273 117.771 119.070 -0.044 0.000 3.309 442 H HA 0.337 4.894 4.556 0.001 0.000 0.195 442 H C -0.272 174.993 175.328 -0.105 0.000 1.202 442 H CA 0.611 56.564 56.048 -0.159 0.000 1.470 442 H CB -0.057 29.479 29.762 -0.377 0.000 1.411 442 H HN 0.392 nan 8.280 nan 0.000 0.477 443 H N -2.370 116.625 119.070 -0.125 0.000 3.112 443 H HA 0.281 4.837 4.556 0.001 0.000 0.347 443 H C -2.746 172.232 175.328 -0.582 0.000 1.188 443 H CA -1.838 53.911 56.048 -0.498 0.000 1.240 443 H CB 1.027 30.668 29.762 -0.201 0.000 1.920 443 H HN -0.130 nan 8.280 nan 0.000 0.535 444 P HA -0.190 nan 4.420 nan 0.000 0.218 444 P C 0.270 177.096 177.300 -0.790 0.000 1.147 444 P CA 1.725 64.346 63.100 -0.798 0.000 0.827 444 P CB -0.059 31.003 31.700 -1.064 0.000 0.778 445 F N -2.631 117.325 119.950 0.010 0.000 2.732 445 F HA 0.129 4.657 4.527 0.001 0.000 0.303 445 F C 1.015 176.796 175.800 -0.032 0.000 1.110 445 F CA 0.009 58.004 58.000 -0.009 0.000 1.355 445 F CB -1.169 37.819 39.000 -0.019 0.000 1.081 445 F HN -0.325 nan 8.300 nan 0.000 0.565 446 T N 0.541 114.947 114.554 -0.247 0.000 2.851 446 T HA 0.088 4.439 4.350 0.001 0.000 0.298 446 T C 0.388 174.964 174.700 -0.207 0.000 0.977 446 T CA -0.185 61.684 62.100 -0.385 0.000 1.126 446 T CB 1.026 69.543 68.868 -0.585 0.000 0.916 446 T HN 0.129 nan 8.240 nan 0.000 0.529 447 S N 5.048 120.649 115.700 -0.166 0.000 2.528 447 S HA 0.313 4.783 4.470 0.001 0.000 0.277 447 S C -2.141 172.396 174.600 -0.106 0.000 1.297 447 S CA -1.544 56.583 58.200 -0.122 0.000 1.052 447 S CB 0.273 63.415 63.200 -0.098 0.000 0.917 447 S HN 0.427 nan 8.310 nan 0.000 0.492 448 P HA 0.110 nan 4.420 nan 0.000 0.276 448 P C -0.455 176.845 177.300 -0.001 0.000 1.244 448 P CA -0.489 62.589 63.100 -0.038 0.000 0.801 448 P CB 0.359 32.029 31.700 -0.050 0.000 1.006 449 H N 3.436 122.481 119.070 -0.043 0.000 3.001 449 H HA 0.002 4.558 4.556 0.001 0.000 0.334 449 H C -1.220 174.090 175.328 -0.029 0.000 1.034 449 H CA -0.828 55.203 56.048 -0.027 0.000 1.420 449 H CB 0.518 30.270 29.762 -0.016 0.000 1.405 449 H HN 0.275 nan 8.280 nan 0.000 0.593 450 P HA -0.153 nan 4.420 nan 0.000 0.215 450 P C 0.908 178.305 177.300 0.162 0.000 1.157 450 P CA 1.139 64.291 63.100 0.087 0.000 0.863 450 P CB 0.409 32.112 31.700 0.006 0.000 0.787 451 E N 0.163 120.551 120.200 0.313 0.000 2.265 451 E HA -0.148 4.202 4.350 0.001 0.000 0.196 451 E C 0.973 177.594 176.600 0.036 0.000 0.996 451 E CA 1.044 57.520 56.400 0.126 0.000 0.832 451 E CB -0.713 29.026 29.700 0.064 0.000 0.756 451 E HN 0.392 nan 8.360 nan 0.000 0.491 452 D N -0.119 120.312 120.400 0.052 0.000 2.339 452 D HA 0.011 4.652 4.640 0.001 0.000 0.217 452 D C 1.546 177.841 176.300 -0.008 0.000 1.050 452 D CA -0.147 53.846 54.000 -0.012 0.000 0.856 452 D CB 0.075 40.859 40.800 -0.027 0.000 0.922 452 D HN -0.017 nan 8.370 nan 0.000 0.518 453 L N 1.847 123.077 121.223 0.012 0.000 1.997 453 L HA -0.130 4.210 4.340 0.001 0.000 0.216 453 L C -0.691 176.164 176.870 -0.025 0.000 1.074 453 L CA 2.155 56.988 54.840 -0.011 0.000 0.763 453 L CB -1.187 40.869 42.059 -0.004 0.000 0.890 453 L HN 0.095 nan 8.230 nan 0.000 0.434 454 P HA -0.204 nan 4.420 nan 0.000 0.215 454 P C 2.002 179.283 177.300 -0.031 0.000 1.153 454 P CA 1.633 64.720 63.100 -0.022 0.000 0.853 454 P CB -0.171 31.520 31.700 -0.015 0.000 0.788 455 L N -1.346 119.854 121.223 -0.039 0.000 2.447 455 L HA -0.123 4.217 4.340 0.001 0.000 0.225 455 L C 2.568 179.391 176.870 -0.079 0.000 1.148 455 L CA 0.325 55.133 54.840 -0.053 0.000 0.808 455 L CB -1.042 40.981 42.059 -0.060 0.000 0.928 455 L HN -0.035 nan 8.230 nan 0.000 0.448 456 L N -0.057 121.119 121.223 -0.078 0.000 2.261 456 L HA -0.200 4.141 4.340 0.001 0.000 0.216 456 L C 2.138 178.954 176.870 -0.089 0.000 1.114 456 L CA 1.769 56.547 54.840 -0.103 0.000 0.777 456 L CB -0.173 41.838 42.059 -0.080 0.000 0.910 456 L HN 0.182 nan 8.230 nan 0.000 0.440 457 E N -0.698 119.472 120.200 -0.050 0.000 2.110 457 E HA -0.052 4.299 4.350 0.001 0.000 0.193 457 E C 2.019 178.619 176.600 0.000 0.000 0.950 457 E CA 1.230 57.620 56.400 -0.017 0.000 0.840 457 E CB -0.184 29.514 29.700 -0.004 0.000 0.809 457 E HN 0.545 nan 8.360 nan 0.000 0.465 458 K N -0.183 120.213 120.400 -0.006 0.000 2.186 458 K HA 0.033 4.353 4.320 0.001 0.000 0.202 458 K C 0.253 176.862 176.600 0.015 0.000 1.052 458 K CA 1.249 57.543 56.287 0.013 0.000 0.965 458 K CB 0.440 32.945 32.500 0.008 0.000 0.746 458 K HN -0.102 nan 8.250 nan 0.000 0.457 459 D N 1.070 121.453 120.400 -0.028 0.000 2.846 459 D HA 0.136 4.776 4.640 0.001 0.000 0.279 459 D C -2.208 174.004 176.300 -0.148 0.000 1.222 459 D CA -1.551 52.425 54.000 -0.040 0.000 0.769 459 D CB 1.373 42.164 40.800 -0.015 0.000 1.299 459 D HN -0.033 nan 8.370 nan 0.000 0.537 460 P HA 0.020 nan 4.420 nan 0.000 0.239 460 P C 1.297 178.241 177.300 -0.594 0.000 1.184 460 P CA 0.220 63.014 63.100 -0.510 0.000 0.760 460 P CB 0.264 31.498 31.700 -0.777 0.000 0.884 461 G N 1.208 109.793 108.800 -0.358 0.000 2.404 461 G HA2 -0.219 3.741 3.960 0.001 0.000 0.215 461 G HA3 -0.219 3.741 3.960 0.001 0.000 0.215 461 G C 1.518 176.350 174.900 -0.113 0.000 1.174 461 G CA 0.242 45.242 45.100 -0.167 0.000 0.780 461 G HN 0.221 nan 8.290 nan 0.000 0.537 462 R N 0.709 121.156 120.500 -0.087 0.000 3.039 462 R HA 0.277 4.618 4.340 0.001 0.000 0.336 462 R C -0.117 176.138 176.300 -0.075 0.000 1.258 462 R CA -0.545 55.522 56.100 -0.056 0.000 1.125 462 R CB -0.386 29.899 30.300 -0.025 0.000 1.427 462 R HN 0.171 nan 8.270 nan 0.000 0.588 463 V N 0.885 120.733 119.914 -0.111 0.000 2.364 463 V HA 0.572 4.692 4.120 0.001 0.000 0.272 463 V C 0.318 176.379 176.094 -0.055 0.000 1.036 463 V CA -1.028 61.217 62.300 -0.092 0.000 0.880 463 V CB 0.819 32.566 31.823 -0.126 0.000 0.991 463 V HN 0.295 nan 8.190 nan 0.000 0.460 464 R N 4.306 124.801 120.500 -0.009 0.000 2.560 464 R HA 0.825 5.166 4.340 0.001 0.000 0.270 464 R C -0.036 176.315 176.300 0.085 0.000 1.074 464 R CA -0.021 56.109 56.100 0.049 0.000 1.140 464 R CB 1.103 31.443 30.300 0.067 0.000 1.073 464 R HN 0.885 nan 8.270 nan 0.000 0.527 465 A N 1.840 124.721 122.820 0.101 0.000 2.299 465 A HA 0.486 4.806 4.320 0.001 0.000 0.332 465 A C 0.144 177.726 177.584 -0.002 0.000 1.131 465 A CA -0.973 51.087 52.037 0.038 0.000 0.844 465 A CB 1.033 20.072 19.000 0.066 0.000 1.251 465 A HN 0.719 nan 8.150 nan 0.000 0.486 466 L N 1.520 122.685 121.223 -0.096 0.000 2.719 466 L HA 0.431 4.772 4.340 0.001 0.000 0.236 466 L C 0.511 177.243 176.870 -0.230 0.000 1.285 466 L CA -0.031 54.753 54.840 -0.093 0.000 1.222 466 L CB -0.539 41.458 42.059 -0.104 0.000 1.493 466 L HN 0.739 nan 8.230 nan 0.000 0.415 467 A N 1.015 123.647 122.820 -0.313 0.000 2.354 467 A HA 0.883 5.203 4.320 0.001 0.000 0.321 467 A C -1.317 176.066 177.584 -0.335 0.000 1.125 467 A CA -0.394 51.234 52.037 -0.680 0.000 0.799 467 A CB 1.321 19.629 19.000 -1.153 0.000 1.293 467 A HN 0.379 nan 8.150 nan 0.000 0.452 468 Y N -0.949 119.303 120.300 -0.080 0.000 2.513 468 Y HA 0.718 5.268 4.550 0.001 0.000 0.340 468 Y C -1.397 174.619 175.900 0.194 0.000 1.055 468 Y CA -1.741 56.439 58.100 0.134 0.000 1.020 468 Y CB 1.106 39.589 38.460 0.038 0.000 1.301 468 Y HN 0.447 nan 8.280 nan 0.000 0.453 469 D N 2.012 122.735 120.400 0.539 0.000 2.350 469 D HA 0.458 5.099 4.640 0.001 0.000 0.245 469 D C -1.545 175.076 176.300 0.536 0.000 1.036 469 D CA -0.406 53.852 54.000 0.429 0.000 0.848 469 D CB 2.594 43.596 40.800 0.337 0.000 1.307 469 D HN 0.594 nan 8.370 nan 0.000 0.469 470 L N 2.813 124.239 121.223 0.339 0.000 2.287 470 L HA 0.524 4.865 4.340 0.001 0.000 0.287 470 L C -1.323 175.534 176.870 -0.021 0.000 1.022 470 L CA -0.501 54.344 54.840 0.009 0.000 0.814 470 L CB 1.350 43.323 42.059 -0.143 0.000 1.217 470 L HN 0.141 nan 8.230 nan 0.000 0.420 471 V N 5.736 125.600 119.914 -0.083 0.000 2.680 471 V HA 0.583 4.703 4.120 0.001 0.000 0.309 471 V C -0.937 175.009 176.094 -0.246 0.000 1.052 471 V CA -0.718 61.520 62.300 -0.104 0.000 0.908 471 V CB 1.941 33.727 31.823 -0.061 0.000 1.001 471 V HN 0.643 nan 8.190 nan 0.000 0.431 472 L N 4.528 125.562 121.223 -0.314 0.000 2.404 472 L HA 0.649 4.990 4.340 0.001 0.000 0.272 472 L C 0.011 176.669 176.870 -0.354 0.000 0.980 472 L CA -0.020 54.480 54.840 -0.567 0.000 0.836 472 L CB 1.270 42.881 42.059 -0.747 0.000 1.238 472 L HN 0.667 nan 8.230 nan 0.000 0.408 473 N N 4.236 122.729 118.700 -0.345 0.000 2.716 473 N HA -0.199 4.541 4.740 0.001 0.000 0.250 473 N C 0.971 176.386 175.510 -0.158 0.000 1.033 473 N CA 1.521 54.434 53.050 -0.227 0.000 0.727 473 N CB -1.274 37.103 38.487 -0.184 0.000 0.950 473 N HN 1.279 nan 8.380 nan 0.000 0.541 474 G N -3.300 105.400 108.800 -0.167 0.000 2.159 474 G HA2 -0.268 3.692 3.960 0.001 0.000 0.256 474 G HA3 -0.268 3.692 3.960 0.001 0.000 0.256 474 G C -0.099 174.763 174.900 -0.063 0.000 0.977 474 G CA 0.338 45.374 45.100 -0.105 0.000 0.652 474 G HN 0.571 nan 8.290 nan 0.000 0.531 475 V N 0.383 120.248 119.914 -0.081 0.000 2.604 475 V HA 0.512 4.633 4.120 0.001 0.000 0.305 475 V C 0.358 176.428 176.094 -0.040 0.000 1.043 475 V CA -0.833 61.440 62.300 -0.046 0.000 0.888 475 V CB 1.993 33.787 31.823 -0.049 0.000 0.995 475 V HN 0.402 nan 8.190 nan 0.000 0.429 476 E N 2.807 123.009 120.200 0.005 0.000 2.217 476 E HA 0.206 4.556 4.350 0.001 0.000 0.279 476 E C 0.444 177.056 176.600 0.020 0.000 1.068 476 E CA -0.182 56.236 56.400 0.030 0.000 0.882 476 E CB 1.304 31.044 29.700 0.066 0.000 1.039 476 E HN 0.667 nan 8.360 nan 0.000 0.418 477 V N 1.363 121.279 119.914 0.003 0.000 3.643 477 V HA 0.511 4.632 4.120 0.001 0.000 0.280 477 V C 0.570 176.699 176.094 0.059 0.000 1.351 477 V CA 0.414 62.717 62.300 0.005 0.000 1.073 477 V CB 0.377 32.161 31.823 -0.065 0.000 0.863 477 V HN 0.556 nan 8.190 nan 0.000 0.436 478 G N -1.540 107.319 108.800 0.098 0.000 2.576 478 G HA2 0.692 4.652 3.960 0.001 0.000 0.290 478 G HA3 0.692 4.652 3.960 0.001 0.000 0.290 478 G C -0.816 174.244 174.900 0.267 0.000 1.442 478 G CA -0.150 45.090 45.100 0.232 0.000 0.792 478 G HN 1.001 nan 8.290 nan 0.000 0.491 479 G N -1.706 107.286 108.800 0.319 0.000 2.655 479 G HA2 0.882 4.842 3.960 0.001 0.000 0.296 479 G HA3 0.882 4.842 3.960 0.001 0.000 0.296 479 G C -0.340 174.668 174.900 0.181 0.000 1.485 479 G CA 0.507 45.748 45.100 0.236 0.000 0.869 479 G HN 1.881 nan 8.290 nan 0.000 0.540 480 G N -0.863 107.911 108.800 -0.043 0.000 2.570 480 G HA2 1.044 5.005 3.960 0.001 0.000 0.310 480 G HA3 1.044 5.005 3.960 0.001 0.000 0.310 480 G C -0.526 173.848 174.900 -0.878 0.000 1.266 480 G CA 0.850 45.848 45.100 -0.169 0.000 0.825 480 G HN 2.240 nan 8.290 nan 0.000 0.483 481 S N -1.492 113.849 115.700 -0.597 0.000 2.645 481 S HA 0.526 4.996 4.470 0.001 0.000 0.268 481 S C -1.356 173.164 174.600 -0.134 0.000 1.110 481 S CA -0.896 56.923 58.200 -0.634 0.000 0.823 481 S CB 0.995 63.855 63.200 -0.567 0.000 1.091 481 S HN 0.840 nan 8.310 nan 0.000 0.466 482 I N 2.279 122.796 120.570 -0.089 0.000 2.474 482 I HA 0.390 4.560 4.170 0.001 0.000 0.287 482 I C 0.810 176.852 176.117 -0.125 0.000 1.048 482 I CA -0.199 61.064 61.300 -0.061 0.000 1.383 482 I CB 0.447 38.416 38.000 -0.051 0.000 1.412 482 I HN 0.640 nan 8.210 nan 0.000 0.531 483 R N 5.560 125.939 120.500 -0.200 0.000 2.549 483 R HA 0.499 4.839 4.340 0.001 0.000 0.267 483 R C -0.291 175.923 176.300 -0.143 0.000 1.045 483 R CA -1.031 54.959 56.100 -0.183 0.000 1.115 483 R CB 1.025 31.104 30.300 -0.368 0.000 1.121 483 R HN 0.346 nan 8.270 nan 0.000 0.543 484 I N 4.118 124.666 120.570 -0.036 0.000 2.352 484 I HA 0.039 4.209 4.170 0.001 0.000 0.290 484 I C 1.608 177.747 176.117 0.036 0.000 1.036 484 I CA 0.059 61.345 61.300 -0.024 0.000 1.336 484 I CB 0.539 38.497 38.000 -0.070 0.000 1.407 484 I HN 0.682 nan 8.210 nan 0.000 0.497 485 H N 3.474 122.509 119.070 -0.058 0.000 2.652 485 H HA 0.217 4.773 4.556 0.001 0.000 0.274 485 H C -0.191 175.116 175.328 -0.035 0.000 1.021 485 H CA -0.400 55.651 56.048 0.005 0.000 1.187 485 H CB 0.601 30.391 29.762 0.046 0.000 1.505 485 H HN 0.452 nan 8.280 nan 0.000 0.530 486 D N 2.602 122.707 120.400 -0.492 0.000 2.359 486 D HA 0.154 4.795 4.640 0.001 0.000 0.230 486 D C -1.816 174.355 176.300 -0.214 0.000 1.118 486 D CA -2.073 51.701 54.000 -0.377 0.000 0.844 486 D CB 2.307 42.867 40.800 -0.400 0.000 1.059 486 D HN 0.011 nan 8.370 nan 0.000 0.493 487 P HA -0.101 nan 4.420 nan 0.000 0.217 487 P C 1.094 178.332 177.300 -0.103 0.000 1.148 487 P CA 1.124 64.146 63.100 -0.130 0.000 0.828 487 P CB 0.376 32.002 31.700 -0.124 0.000 0.783 488 R N -0.980 119.456 120.500 -0.106 0.000 2.075 488 R HA 0.028 4.368 4.340 0.001 0.000 0.226 488 R C 2.397 178.644 176.300 -0.088 0.000 1.114 488 R CA 0.788 56.841 56.100 -0.079 0.000 0.972 488 R CB -1.197 29.059 30.300 -0.073 0.000 0.869 488 R HN 0.200 nan 8.270 nan 0.000 0.437 489 L N 1.062 122.211 121.223 -0.122 0.000 2.046 489 L HA -0.243 4.098 4.340 0.001 0.000 0.208 489 L C 2.523 179.299 176.870 -0.158 0.000 1.077 489 L CA 1.471 56.233 54.840 -0.129 0.000 0.747 489 L CB -0.161 41.807 42.059 -0.152 0.000 0.896 489 L HN 0.160 nan 8.230 nan 0.000 0.432 490 Q N 0.243 119.928 119.800 -0.193 0.000 2.077 490 Q HA -0.248 4.092 4.340 0.001 0.000 0.206 490 Q C 2.051 177.863 176.000 -0.313 0.000 0.989 490 Q CA 2.547 58.162 55.803 -0.313 0.000 0.853 490 Q CB -0.439 28.136 28.738 -0.272 0.000 0.907 490 Q HN 0.611 nan 8.270 nan 0.000 0.418 491 A N 0.523 123.283 122.820 -0.100 0.000 1.858 491 A HA -0.229 4.092 4.320 0.001 0.000 0.216 491 A C 2.190 179.800 177.584 0.044 0.000 1.190 491 A CA 1.794 53.867 52.037 0.060 0.000 0.617 491 A CB -0.831 18.204 19.000 0.058 0.000 0.827 491 A HN 0.469 nan 8.150 nan 0.000 0.443 492 R N -0.480 120.011 120.500 -0.016 0.000 2.119 492 R HA -0.166 4.174 4.340 0.001 0.000 0.246 492 R C 1.947 178.240 176.300 -0.012 0.000 1.146 492 R CA 2.048 58.141 56.100 -0.012 0.000 0.962 492 R CB -0.486 29.790 30.300 -0.040 0.000 0.863 492 R HN 0.341 nan 8.270 nan 0.000 0.442 493 V N 0.209 120.078 119.914 -0.075 0.000 2.307 493 V HA -0.219 3.901 4.120 0.001 0.000 0.245 493 V C 2.038 178.151 176.094 0.031 0.000 1.045 493 V CA 1.893 64.138 62.300 -0.092 0.000 1.024 493 V CB -0.557 31.125 31.823 -0.235 0.000 0.651 493 V HN 0.343 nan 8.190 nan 0.000 0.449 494 F N 0.101 120.033 119.950 -0.029 0.000 2.307 494 F HA -0.207 4.320 4.527 0.001 0.000 0.301 494 F C 2.597 178.408 175.800 0.019 0.000 1.076 494 F CA 0.884 58.882 58.000 -0.003 0.000 1.383 494 F CB -0.116 38.884 39.000 0.001 0.000 1.055 494 F HN 0.121 nan 8.300 nan 0.000 0.526 495 R N -0.147 120.471 120.500 0.196 0.000 2.066 495 R HA -0.160 4.180 4.340 0.001 0.000 0.232 495 R C 1.955 178.328 176.300 0.121 0.000 1.131 495 R CA 1.149 57.323 56.100 0.124 0.000 0.955 495 R CB -0.516 29.831 30.300 0.080 0.000 0.851 495 R HN 0.216 nan 8.270 nan 0.000 0.432 496 L N 0.605 121.897 121.223 0.116 0.000 2.027 496 L HA -0.116 4.225 4.340 0.001 0.000 0.206 496 L C 2.223 179.202 176.870 0.182 0.000 1.074 496 L CA 1.502 56.424 54.840 0.137 0.000 0.745 496 L CB -0.549 41.555 42.059 0.074 0.000 0.898 496 L HN 0.129 nan 8.230 nan 0.000 0.433 497 L N -0.422 120.912 121.223 0.184 0.000 2.353 497 L HA -0.079 4.262 4.340 0.001 0.000 0.220 497 L C 1.479 178.440 176.870 0.152 0.000 1.133 497 L CA 0.836 55.795 54.840 0.199 0.000 0.798 497 L CB -0.924 41.297 42.059 0.270 0.000 0.922 497 L HN 0.622 nan 8.230 nan 0.000 0.445 498 G N 0.743 109.622 108.800 0.132 0.000 2.147 498 G HA2 -0.288 3.673 3.960 0.001 0.000 0.244 498 G HA3 -0.288 3.673 3.960 0.001 0.000 0.244 498 G C 0.159 175.081 174.900 0.036 0.000 1.005 498 G CA -0.112 45.035 45.100 0.078 0.000 0.713 498 G HN 0.337 nan 8.290 nan 0.000 0.515 499 I N 1.644 122.225 120.570 0.017 0.000 2.352 499 I HA 0.437 4.608 4.170 0.001 0.000 0.290 499 I C 1.476 177.512 176.117 -0.134 0.000 1.036 499 I CA -0.229 61.010 61.300 -0.101 0.000 1.336 499 I CB 0.985 38.817 38.000 -0.280 0.000 1.407 499 I HN 0.159 nan 8.210 nan 0.000 0.497 500 G N 4.699 113.439 108.800 -0.099 0.000 2.559 500 G HA2 0.007 3.967 3.960 0.001 0.000 0.235 500 G HA3 0.007 3.967 3.960 0.001 0.000 0.235 500 G C 0.701 175.540 174.900 -0.101 0.000 1.266 500 G CA -0.383 44.672 45.100 -0.075 0.000 0.847 500 G HN 0.706 nan 8.290 nan 0.000 0.583 501 E N 0.225 120.393 120.200 -0.053 0.000 2.516 501 E HA -0.072 4.279 4.350 0.001 0.000 0.199 501 E C 1.541 178.121 176.600 -0.034 0.000 1.069 501 E CA 0.486 56.865 56.400 -0.036 0.000 0.876 501 E CB 0.485 30.184 29.700 -0.001 0.000 0.843 501 E HN 0.873 nan 8.360 nan 0.000 0.530 502 E N 0.481 120.654 120.200 -0.045 0.000 2.372 502 E HA -0.018 4.333 4.350 0.001 0.000 0.201 502 E C 1.226 177.793 176.600 -0.054 0.000 0.938 502 E CA 0.035 56.414 56.400 -0.035 0.000 0.944 502 E CB 0.415 30.100 29.700 -0.026 0.000 0.937 502 E HN 0.168 nan 8.360 nan 0.000 0.495 503 E N 0.410 120.560 120.200 -0.084 0.000 2.170 503 E HA -0.115 4.235 4.350 0.001 0.000 0.191 503 E C 1.997 178.507 176.600 -0.150 0.000 0.981 503 E CA 0.600 56.933 56.400 -0.111 0.000 0.830 503 E CB 0.151 29.781 29.700 -0.117 0.000 0.775 503 E HN 0.264 nan 8.360 nan 0.000 0.470 504 Q N 0.673 120.376 119.800 -0.161 0.000 2.079 504 Q HA -0.087 4.253 4.340 0.001 0.000 0.200 504 Q C 2.108 178.106 176.000 -0.003 0.000 0.974 504 Q CA 0.854 56.590 55.803 -0.110 0.000 0.840 504 Q CB -0.127 28.508 28.738 -0.172 0.000 0.898 504 Q HN 0.061 nan 8.270 nan 0.000 0.430 505 R N 0.832 121.324 120.500 -0.013 0.000 2.357 505 R HA -0.132 4.209 4.340 0.001 0.000 0.202 505 R C 1.442 177.741 176.300 -0.001 0.000 1.047 505 R CA 0.874 56.983 56.100 0.014 0.000 1.034 505 R CB 0.210 30.518 30.300 0.014 0.000 0.875 505 R HN 0.321 nan 8.270 nan 0.000 0.473 506 E N -0.350 119.818 120.200 -0.053 0.000 2.332 506 E HA 0.001 4.351 4.350 0.001 0.000 0.202 506 E C 0.952 177.477 176.600 -0.125 0.000 0.877 506 E CA 0.110 56.474 56.400 -0.060 0.000 0.979 506 E CB 0.474 30.134 29.700 -0.067 0.000 0.969 506 E HN 0.172 nan 8.360 nan 0.000 0.495 507 K N -0.727 119.494 120.400 -0.299 0.000 2.354 507 K HA 0.131 4.452 4.320 0.001 0.000 0.194 507 K C 0.058 176.140 176.600 -0.864 0.000 1.045 507 K CA 0.207 56.121 56.287 -0.622 0.000 1.026 507 K CB 0.688 32.628 32.500 -0.934 0.000 0.866 507 K HN 0.055 nan 8.250 nan 0.000 0.530 508 F N -1.258 118.668 119.950 -0.041 0.000 2.960 508 F HA 0.258 4.786 4.527 0.001 0.000 0.345 508 F C 1.624 177.290 175.800 -0.224 0.000 1.147 508 F CA -0.746 57.174 58.000 -0.132 0.000 1.099 508 F CB -0.103 39.011 39.000 0.188 0.000 1.219 508 F HN -0.063 nan 8.300 nan 0.000 0.525 509 G N 1.958 110.751 108.800 -0.011 0.000 2.599 509 G HA2 -0.400 3.560 3.960 0.001 0.000 0.219 509 G HA3 -0.400 3.560 3.960 0.001 0.000 0.219 509 G C 1.654 176.573 174.900 0.031 0.000 1.193 509 G CA 1.874 46.997 45.100 0.039 0.000 0.778 509 G HN 0.428 nan 8.290 nan 0.000 0.589 510 F N -0.370 119.674 119.950 0.156 0.000 2.216 510 F HA 0.144 4.672 4.527 0.001 0.000 0.300 510 F C 2.096 178.000 175.800 0.173 0.000 1.085 510 F CA 0.931 59.013 58.000 0.137 0.000 1.326 510 F CB -0.844 38.220 39.000 0.106 0.000 1.027 510 F HN 0.102 nan 8.300 nan 0.000 0.497 511 F N 0.913 120.504 119.950 -0.598 0.000 2.234 511 F HA 0.058 4.586 4.527 0.001 0.000 0.296 511 F C 1.789 177.545 175.800 -0.073 0.000 1.089 511 F CA 0.882 58.718 58.000 -0.274 0.000 1.343 511 F CB -0.489 38.239 39.000 -0.453 0.000 1.040 511 F HN -0.030 nan 8.300 nan 0.000 0.498 512 L N 0.591 121.737 121.223 -0.128 0.000 2.131 512 L HA -0.159 4.181 4.340 0.001 0.000 0.210 512 L C 2.408 179.193 176.870 -0.143 0.000 1.092 512 L CA 1.612 56.374 54.840 -0.131 0.000 0.759 512 L CB -1.028 41.069 42.059 0.063 0.000 0.903 512 L HN 0.227 nan 8.230 nan 0.000 0.435 513 E N -0.898 119.271 120.200 -0.052 0.000 2.152 513 E HA -0.164 4.186 4.350 0.001 0.000 0.192 513 E C 2.174 178.793 176.600 0.032 0.000 0.983 513 E CA 0.838 57.238 56.400 0.000 0.000 0.818 513 E CB 0.113 29.883 29.700 0.117 0.000 0.758 513 E HN 0.485 nan 8.360 nan 0.000 0.467 514 A N 1.053 123.876 122.820 0.005 0.000 1.933 514 A HA -0.138 4.183 4.320 0.001 0.000 0.218 514 A C 2.116 179.664 177.584 -0.061 0.000 1.175 514 A CA 0.817 52.885 52.037 0.051 0.000 0.628 514 A CB -0.554 18.420 19.000 -0.043 0.000 0.814 514 A HN 0.242 nan 8.150 nan 0.000 0.444 515 L N -0.425 120.633 121.223 -0.275 0.000 2.353 515 L HA -0.151 4.189 4.340 0.001 0.000 0.220 515 L C 2.026 178.802 176.870 -0.155 0.000 1.133 515 L CA 1.014 55.711 54.840 -0.238 0.000 0.798 515 L CB -0.467 41.406 42.059 -0.310 0.000 0.922 515 L HN 0.501 nan 8.230 nan 0.000 0.445 516 E N -0.938 119.139 120.200 -0.204 0.000 2.481 516 E HA -0.100 4.250 4.350 0.001 0.000 0.195 516 E C 0.615 176.991 176.600 -0.372 0.000 1.047 516 E CA 0.463 56.679 56.400 -0.306 0.000 0.867 516 E CB 0.203 29.655 29.700 -0.413 0.000 0.858 516 E HN 0.559 nan 8.360 nan 0.000 0.513 517 Y N 0.442 120.711 120.300 -0.051 0.000 2.625 517 Y HA 0.271 4.821 4.550 0.001 0.000 0.285 517 Y C 0.852 176.737 175.900 -0.025 0.000 1.168 517 Y CA -0.088 57.993 58.100 -0.032 0.000 1.250 517 Y CB 1.078 39.520 38.460 -0.030 0.000 1.130 517 Y HN -0.023 nan 8.280 nan 0.000 0.526 518 G N 0.928 109.768 108.800 0.067 0.000 2.963 518 G HA2 0.045 4.005 3.960 0.001 0.000 0.262 518 G HA3 0.045 4.005 3.960 0.001 0.000 0.262 518 G C -0.396 174.529 174.900 0.043 0.000 1.043 518 G CA -0.369 44.767 45.100 0.059 0.000 1.223 518 G HN 0.563 nan 8.290 nan 0.000 0.574 519 A N 3.271 126.115 122.820 0.039 0.000 2.301 519 A HA 0.929 5.249 4.320 0.001 0.000 0.298 519 A C -1.049 176.555 177.584 0.032 0.000 1.185 519 A CA -1.133 50.913 52.037 0.015 0.000 0.830 519 A CB 1.083 20.110 19.000 0.046 0.000 1.112 519 A HN 0.526 nan 8.150 nan 0.000 0.508 520 P HA 0.428 nan 4.420 nan 0.000 0.281 520 P C -2.941 174.120 177.300 -0.399 0.000 1.264 520 P CA -1.998 60.889 63.100 -0.354 0.000 0.824 520 P CB 0.301 31.548 31.700 -0.755 0.000 1.092 521 P HA 0.116 nan 4.420 nan 0.000 0.268 521 P C -0.355 176.780 177.300 -0.274 0.000 1.204 521 P CA 0.865 63.576 63.100 -0.648 0.000 0.768 521 P CB 0.081 31.484 31.700 -0.494 0.000 0.842 522 H N 0.478 119.394 119.070 -0.256 0.000 2.990 522 H HA 0.845 5.401 4.556 0.001 0.000 0.336 522 H C -0.842 174.456 175.328 -0.049 0.000 1.306 522 H CA -1.183 54.767 56.048 -0.163 0.000 1.118 522 H CB 1.351 31.015 29.762 -0.164 0.000 1.856 522 H HN 0.605 nan 8.280 nan 0.000 0.538 523 G N -1.577 107.251 108.800 0.046 0.000 2.523 523 G HA2 0.561 4.521 3.960 0.001 0.000 0.291 523 G HA3 0.561 4.521 3.960 0.001 0.000 0.291 523 G C -1.124 173.872 174.900 0.160 0.000 1.450 523 G CA -0.052 45.081 45.100 0.054 0.000 0.790 523 G HN 1.022 nan 8.290 nan 0.000 0.496 524 G N -1.309 107.618 108.800 0.212 0.000 2.588 524 G HA2 0.768 4.728 3.960 0.001 0.000 0.281 524 G HA3 0.768 4.728 3.960 0.001 0.000 0.281 524 G C -1.620 173.476 174.900 0.326 0.000 1.223 524 G CA 0.196 45.450 45.100 0.256 0.000 0.871 524 G HN 1.552 nan 8.290 nan 0.000 0.492 525 I N -1.221 119.523 120.570 0.290 0.000 2.961 525 I HA 0.622 4.792 4.170 0.001 0.000 0.303 525 I C -1.668 174.608 176.117 0.265 0.000 1.505 525 I CA -0.946 60.558 61.300 0.340 0.000 0.964 525 I CB 2.016 40.306 38.000 0.483 0.000 1.348 525 I HN 1.275 nan 8.210 nan 0.000 0.508 526 A N 3.635 126.643 122.820 0.312 0.000 2.427 526 A HA 0.744 5.065 4.320 0.001 0.000 0.298 526 A C -2.244 175.611 177.584 0.451 0.000 1.036 526 A CA -0.318 51.883 52.037 0.274 0.000 0.701 526 A CB 1.028 20.162 19.000 0.222 0.000 1.250 526 A HN 0.531 nan 8.150 nan 0.000 0.412 527 W N 1.072 122.462 121.300 0.150 0.000 2.496 527 W HA 0.589 5.249 4.660 0.001 0.000 0.327 527 W C 0.680 177.287 176.519 0.147 0.000 1.086 527 W CA -1.144 56.286 57.345 0.142 0.000 1.222 527 W CB 1.667 31.197 29.460 0.116 0.000 1.304 527 W HN 0.954 nan 8.180 nan 0.000 0.547 528 G N 2.996 112.010 108.800 0.358 0.000 2.530 528 G HA2 0.271 4.231 3.960 0.001 0.000 0.313 528 G HA3 0.271 4.231 3.960 0.001 0.000 0.313 528 G C 0.549 175.607 174.900 0.263 0.000 0.971 528 G CA -0.387 44.877 45.100 0.273 0.000 1.237 528 G HN 0.541 nan 8.290 nan 0.000 0.446 529 L N 2.112 123.503 121.223 0.281 0.000 2.083 529 L HA -0.038 4.302 4.340 0.001 0.000 0.209 529 L C 2.185 179.155 176.870 0.167 0.000 1.083 529 L CA 1.794 56.781 54.840 0.244 0.000 0.752 529 L CB -0.073 42.113 42.059 0.211 0.000 0.899 529 L HN 0.487 nan 8.230 nan 0.000 0.433 530 D N -0.901 119.592 120.400 0.156 0.000 2.117 530 D HA -0.232 4.409 4.640 0.001 0.000 0.197 530 D C 2.175 178.521 176.300 0.078 0.000 0.987 530 D CA 1.131 55.197 54.000 0.110 0.000 0.829 530 D CB -0.046 40.826 40.800 0.119 0.000 0.961 530 D HN 0.185 nan 8.370 nan 0.000 0.460 531 R N 1.212 121.758 120.500 0.078 0.000 2.092 531 R HA -0.020 4.321 4.340 0.001 0.000 0.231 531 R C 2.324 178.648 176.300 0.041 0.000 1.119 531 R CA 0.568 56.695 56.100 0.045 0.000 0.970 531 R CB -0.828 29.492 30.300 0.032 0.000 0.864 531 R HN 0.163 nan 8.270 nan 0.000 0.440 532 L N 0.018 121.280 121.223 0.065 0.000 2.046 532 L HA -0.152 4.188 4.340 0.001 0.000 0.208 532 L C 1.912 178.795 176.870 0.022 0.000 1.077 532 L CA 1.641 56.511 54.840 0.050 0.000 0.747 532 L CB -0.284 41.831 42.059 0.094 0.000 0.896 532 L HN 0.327 nan 8.230 nan 0.000 0.432 533 L N -0.359 120.882 121.223 0.029 0.000 2.083 533 L HA -0.180 4.161 4.340 0.001 0.000 0.209 533 L C 2.838 179.703 176.870 -0.008 0.000 1.083 533 L CA 1.112 55.949 54.840 -0.005 0.000 0.752 533 L CB -0.708 41.361 42.059 0.017 0.000 0.899 533 L HN 0.295 nan 8.230 nan 0.000 0.433 534 A N 0.025 122.851 122.820 0.010 0.000 1.933 534 A HA -0.153 4.167 4.320 0.001 0.000 0.218 534 A C 2.248 179.841 177.584 0.015 0.000 1.175 534 A CA 1.387 53.429 52.037 0.007 0.000 0.628 534 A CB -0.606 18.399 19.000 0.009 0.000 0.814 534 A HN 0.357 nan 8.150 nan 0.000 0.444 535 L N -1.358 119.880 121.223 0.025 0.000 2.109 535 L HA -0.128 4.212 4.340 0.001 0.000 0.207 535 L C 2.776 179.727 176.870 0.135 0.000 1.086 535 L CA 1.211 56.089 54.840 0.063 0.000 0.760 535 L CB -0.378 41.709 42.059 0.046 0.000 0.910 535 L HN 0.399 nan 8.230 nan 0.000 0.437 536 M N -1.515 118.109 119.600 0.039 0.000 2.296 536 M HA -0.173 4.307 4.480 0.001 0.000 0.265 536 M C 2.008 178.329 176.300 0.034 0.000 1.064 536 M CA 1.590 56.862 55.300 -0.046 0.000 1.109 536 M CB -0.278 32.144 32.600 -0.296 0.000 1.396 536 M HN 0.105 nan 8.290 nan 0.000 0.430 537 T N -1.172 113.392 114.554 0.016 0.000 3.069 537 T HA 0.242 4.593 4.350 0.001 0.000 0.252 537 T C 1.064 175.774 174.700 0.017 0.000 1.053 537 T CA 0.800 62.904 62.100 0.006 0.000 0.964 537 T CB -0.129 68.725 68.868 -0.024 0.000 1.005 537 T HN 0.654 nan 8.240 nan 0.000 0.532 538 G N 1.513 110.336 108.800 0.039 0.000 2.179 538 G HA2 -0.239 3.722 3.960 0.001 0.000 0.257 538 G HA3 -0.239 3.722 3.960 0.001 0.000 0.257 538 G C 0.167 175.062 174.900 -0.008 0.000 1.010 538 G CA 0.444 45.553 45.100 0.015 0.000 0.736 538 G HN 0.590 nan 8.290 nan 0.000 0.513 539 S N 0.843 116.538 115.700 -0.008 0.000 2.580 539 S HA 0.466 4.937 4.470 0.001 0.000 0.274 539 S C -0.027 174.563 174.600 -0.017 0.000 1.329 539 S CA -0.282 57.907 58.200 -0.019 0.000 1.036 539 S CB 1.627 64.815 63.200 -0.020 0.000 0.919 539 S HN 0.357 nan 8.310 nan 0.000 0.515 540 P HA 0.072 nan 4.420 nan 0.000 0.231 540 P C 0.108 177.400 177.300 -0.014 0.000 1.168 540 P CA 0.435 63.523 63.100 -0.020 0.000 0.779 540 P CB 0.360 32.045 31.700 -0.025 0.000 0.844 541 S N -0.422 115.270 115.700 -0.013 0.000 2.570 541 S HA 0.368 4.838 4.470 0.001 0.000 0.270 541 S C 0.741 175.339 174.600 -0.002 0.000 1.149 541 S CA -0.822 57.374 58.200 -0.007 0.000 0.837 541 S CB 0.762 63.957 63.200 -0.008 0.000 1.124 541 S HN 0.006 nan 8.310 nan 0.000 0.465 542 I N 1.013 121.588 120.570 0.007 0.000 3.176 542 I HA 0.153 4.324 4.170 0.001 0.000 0.275 542 I C 1.821 177.948 176.117 0.017 0.000 1.298 542 I CA 0.434 61.744 61.300 0.017 0.000 1.445 542 I CB -0.251 37.768 38.000 0.031 0.000 1.075 542 I HN 0.490 nan 8.210 nan 0.000 0.482 543 R N 1.183 121.688 120.500 0.009 0.000 2.189 543 R HA -0.028 4.313 4.340 0.001 0.000 0.223 543 R C 1.540 177.830 176.300 -0.016 0.000 1.092 543 R CA 0.729 56.832 56.100 0.005 0.000 0.989 543 R CB -0.141 30.160 30.300 0.003 0.000 0.876 543 R HN 0.461 nan 8.270 nan 0.000 0.457 544 E N 0.388 120.575 120.200 -0.022 0.000 2.427 544 E HA -0.060 4.291 4.350 0.001 0.000 0.196 544 E C 1.395 177.974 176.600 -0.036 0.000 1.028 544 E CA 0.823 57.200 56.400 -0.038 0.000 0.864 544 E CB 0.496 30.173 29.700 -0.040 0.000 0.813 544 E HN 0.269 nan 8.360 nan 0.000 0.514 545 V N -1.969 117.935 119.914 -0.017 0.000 3.159 545 V HA 0.417 4.537 4.120 0.001 0.000 0.333 545 V C 0.428 176.524 176.094 0.003 0.000 1.424 545 V CA -0.324 61.970 62.300 -0.009 0.000 1.125 545 V CB -0.237 31.588 31.823 0.004 0.000 1.075 545 V HN -0.101 nan 8.190 nan 0.000 0.482 546 I N 0.884 121.451 120.570 -0.005 0.000 2.466 546 I HA 0.691 4.861 4.170 0.001 0.000 0.289 546 I C 1.508 177.596 176.117 -0.048 0.000 1.026 546 I CA -0.301 61.005 61.300 0.010 0.000 1.078 546 I CB 2.096 40.122 38.000 0.043 0.000 1.249 546 I HN 0.092 nan 8.210 nan 0.000 0.429 547 A N 6.282 129.057 122.820 -0.076 0.000 1.859 547 A HA -0.082 4.238 4.320 0.001 0.000 0.217 547 A C 0.702 177.964 177.584 -0.538 0.000 1.198 547 A CA 1.756 53.606 52.037 -0.312 0.000 0.629 547 A CB -0.246 18.603 19.000 -0.253 0.000 0.830 547 A HN 0.583 nan 8.150 nan 0.000 0.446 548 F N 0.880 120.861 119.950 0.053 0.000 2.564 548 F HA 0.355 4.883 4.527 0.001 0.000 0.361 548 F C -2.125 173.703 175.800 0.047 0.000 1.161 548 F CA -2.144 55.887 58.000 0.052 0.000 1.198 548 F CB 1.142 40.177 39.000 0.058 0.000 1.424 548 F HN 0.136 nan 8.300 nan 0.000 0.517 549 P HA 0.316 nan 4.420 nan 0.000 0.282 549 P C -0.643 176.725 177.300 0.114 0.000 1.287 549 P CA -0.583 62.586 63.100 0.116 0.000 0.792 549 P CB 1.488 33.229 31.700 0.069 0.000 1.163 550 K N 0.637 121.095 120.400 0.097 0.000 2.139 550 K HA 0.276 4.596 4.320 0.001 0.000 0.243 550 K C 0.647 177.291 176.600 0.072 0.000 0.983 550 K CA -0.527 55.813 56.287 0.087 0.000 0.890 550 K CB 0.706 33.262 32.500 0.093 0.000 1.090 550 K HN 0.560 nan 8.250 nan 0.000 0.445 551 N N 0.007 118.745 118.700 0.064 0.000 2.381 551 N HA 0.052 4.792 4.740 0.001 0.000 0.289 551 N C 0.547 176.091 175.510 0.056 0.000 1.288 551 N CA -0.054 53.027 53.050 0.052 0.000 0.960 551 N CB 0.294 38.807 38.487 0.044 0.000 1.116 551 N HN 0.306 nan 8.380 nan 0.000 0.557 552 K N -0.755 119.673 120.400 0.046 0.000 2.209 552 K HA -0.064 4.257 4.320 0.001 0.000 0.204 552 K C 0.734 177.368 176.600 0.057 0.000 1.048 552 K CA 1.239 57.554 56.287 0.047 0.000 0.940 552 K CB -0.126 32.396 32.500 0.035 0.000 0.729 552 K HN 0.580 nan 8.250 nan 0.000 0.451 553 E N -0.231 120.003 120.200 0.058 0.000 2.465 553 E HA 0.044 4.394 4.350 0.001 0.000 0.191 553 E C 0.533 177.183 176.600 0.084 0.000 1.053 553 E CA 0.132 56.571 56.400 0.064 0.000 0.869 553 E CB 0.478 30.210 29.700 0.054 0.000 0.977 553 E HN 0.447 nan 8.360 nan 0.000 0.483 554 G N 2.078 110.933 108.800 0.092 0.000 2.143 554 G HA2 -0.318 3.642 3.960 0.001 0.000 0.248 554 G HA3 -0.318 3.642 3.960 0.001 0.000 0.248 554 G C 0.075 175.034 174.900 0.098 0.000 0.991 554 G CA 0.411 45.580 45.100 0.116 0.000 0.689 554 G HN 0.179 nan 8.290 nan 0.000 0.522 555 K N -0.251 120.196 120.400 0.078 0.000 2.139 555 K HA 0.543 4.863 4.320 0.001 0.000 0.243 555 K C -1.010 175.626 176.600 0.061 0.000 0.983 555 K CA -0.790 55.536 56.287 0.065 0.000 0.890 555 K CB 1.139 33.672 32.500 0.055 0.000 1.090 555 K HN 0.060 nan 8.250 nan 0.000 0.445 556 D N 1.556 121.988 120.400 0.052 0.000 2.464 556 D HA 0.250 4.890 4.640 0.001 0.000 0.243 556 D C -2.136 174.186 176.300 0.038 0.000 1.104 556 D CA -2.477 51.555 54.000 0.053 0.000 0.883 556 D CB 1.526 42.356 40.800 0.050 0.000 1.050 556 D HN 0.052 nan 8.370 nan 0.000 0.524 557 P HA -0.113 nan 4.420 nan 0.000 0.218 557 P C 1.526 178.820 177.300 -0.010 0.000 1.148 557 P CA 0.283 63.388 63.100 0.009 0.000 0.822 557 P CB 0.316 32.020 31.700 0.007 0.000 0.784 558 L N -0.734 120.500 121.223 0.019 0.000 1.994 558 L HA -0.118 4.223 4.340 0.001 0.000 0.208 558 L C 1.785 178.666 176.870 0.019 0.000 1.071 558 L CA 2.347 57.205 54.840 0.030 0.000 0.745 558 L CB -1.491 40.638 42.059 0.117 0.000 0.892 558 L HN -0.073 nan 8.230 nan 0.000 0.431 559 T N -0.926 113.636 114.554 0.014 0.000 3.037 559 T HA 0.296 4.647 4.350 0.001 0.000 0.252 559 T C 1.082 175.783 174.700 0.001 0.000 1.073 559 T CA 0.499 62.598 62.100 -0.002 0.000 1.091 559 T CB -0.019 68.839 68.868 -0.018 0.000 0.935 559 T HN 0.610 nan 8.240 nan 0.000 0.488 560 G N 1.807 110.612 108.800 0.008 0.000 2.212 560 G HA2 0.008 3.969 3.960 0.001 0.000 0.255 560 G HA3 0.008 3.969 3.960 0.001 0.000 0.255 560 G C 0.013 174.922 174.900 0.015 0.000 1.062 560 G CA -0.133 44.974 45.100 0.011 0.000 0.815 560 G HN 0.880 nan 8.290 nan 0.000 0.497 561 A N 0.818 123.649 122.820 0.018 0.000 2.303 561 A HA 0.856 5.176 4.320 0.001 0.000 0.320 561 A C -1.470 176.135 177.584 0.033 0.000 1.192 561 A CA -1.468 50.581 52.037 0.020 0.000 0.821 561 A CB 1.333 20.340 19.000 0.011 0.000 1.188 561 A HN 0.336 nan 8.150 nan 0.000 0.492 562 P HA -0.016 nan 4.420 nan 0.000 0.253 562 P C -0.070 177.252 177.300 0.037 0.000 1.159 562 P CA 0.967 64.095 63.100 0.046 0.000 0.779 562 P CB 0.126 31.863 31.700 0.062 0.000 0.745 563 S N 3.475 119.195 115.700 0.032 0.000 2.599 563 S HA 0.814 5.285 4.470 0.001 0.000 0.287 563 S C -2.744 171.873 174.600 0.027 0.000 1.105 563 S CA -1.436 56.779 58.200 0.026 0.000 0.899 563 S CB 0.541 63.752 63.200 0.018 0.000 1.100 563 S HN 0.154 nan 8.310 nan 0.000 0.482 564 P HA 0.503 nan 4.420 nan 0.000 0.274 564 P C -0.864 176.447 177.300 0.019 0.000 1.231 564 P CA -0.687 62.427 63.100 0.024 0.000 0.790 564 P CB 0.722 32.434 31.700 0.021 0.000 0.951 565 V N -0.867 119.059 119.914 0.020 0.000 2.864 565 V HA 0.657 4.777 4.120 0.001 0.000 0.314 565 V C -2.629 173.471 176.094 0.011 0.000 1.073 565 V CA -2.676 59.633 62.300 0.015 0.000 0.956 565 V CB 0.950 32.783 31.823 0.017 0.000 1.023 565 V HN 0.363 nan 8.190 nan 0.000 0.435 566 P HA 0.087 nan 4.420 nan 0.000 0.264 566 P C 0.769 178.071 177.300 0.003 0.000 1.183 566 P CA 0.339 63.441 63.100 0.003 0.000 0.763 566 P CB 0.492 32.191 31.700 -0.002 0.000 0.807 567 E N 1.570 121.773 120.200 0.004 0.000 2.209 567 E HA -0.267 4.084 4.350 0.001 0.000 0.196 567 E C 0.834 177.433 176.600 -0.001 0.000 0.993 567 E CA 1.322 57.724 56.400 0.004 0.000 0.819 567 E CB 0.169 29.871 29.700 0.005 0.000 0.745 567 E HN 0.428 nan 8.360 nan 0.000 0.477 568 E N 0.023 120.220 120.200 -0.005 0.000 2.299 568 E HA -0.106 4.244 4.350 0.001 0.000 0.193 568 E C 1.682 178.272 176.600 -0.016 0.000 0.998 568 E CA 0.472 56.865 56.400 -0.011 0.000 0.851 568 E CB -0.020 29.672 29.700 -0.012 0.000 0.795 568 E HN 0.280 nan 8.360 nan 0.000 0.492 569 Q N 0.117 119.909 119.800 -0.013 0.000 2.079 569 Q HA -0.073 4.267 4.340 0.001 0.000 0.200 569 Q C 1.941 177.931 176.000 -0.017 0.000 0.974 569 Q CA 0.859 56.651 55.803 -0.017 0.000 0.840 569 Q CB 0.051 28.783 28.738 -0.010 0.000 0.898 569 Q HN 0.313 nan 8.270 nan 0.000 0.430 570 L N 0.047 121.267 121.223 -0.005 0.000 2.072 570 L HA -0.150 4.191 4.340 0.001 0.000 0.205 570 L C 2.626 179.490 176.870 -0.010 0.000 1.079 570 L CA 0.841 55.682 54.840 0.002 0.000 0.752 570 L CB -0.264 41.805 42.059 0.016 0.000 0.906 570 L HN 0.156 nan 8.230 nan 0.000 0.436 571 R N 0.727 121.219 120.500 -0.012 0.000 2.105 571 R HA -0.239 4.102 4.340 0.001 0.000 0.239 571 R C 2.054 178.332 176.300 -0.037 0.000 1.135 571 R CA 1.765 57.853 56.100 -0.019 0.000 0.967 571 R CB -0.463 29.828 30.300 -0.016 0.000 0.861 571 R HN 0.436 nan 8.270 nan 0.000 0.442 572 E N -0.180 119.992 120.200 -0.046 0.000 2.118 572 E HA -0.179 4.172 4.350 0.001 0.000 0.195 572 E C 1.335 177.877 176.600 -0.098 0.000 0.992 572 E CA 1.270 57.628 56.400 -0.071 0.000 0.804 572 E CB -0.086 29.571 29.700 -0.071 0.000 0.741 572 E HN 0.425 nan 8.360 nan 0.000 0.458 573 L N -0.294 120.881 121.223 -0.081 0.000 2.591 573 L HA 0.189 4.529 4.340 0.001 0.000 0.228 573 L C 1.207 178.022 176.870 -0.092 0.000 1.133 573 L CA 0.323 55.102 54.840 -0.102 0.000 0.880 573 L CB 0.085 42.106 42.059 -0.064 0.000 1.033 573 L HN 0.374 nan 8.230 nan 0.000 0.450 574 G N 1.233 109.996 108.800 -0.062 0.000 2.256 574 G HA2 -0.256 3.705 3.960 0.001 0.000 0.272 574 G HA3 -0.256 3.705 3.960 0.001 0.000 0.272 574 G C -0.318 174.576 174.900 -0.010 0.000 1.076 574 G CA -0.005 45.070 45.100 -0.042 0.000 0.882 574 G HN 0.243 nan 8.290 nan 0.000 0.497 575 L N -1.216 120.012 121.223 0.008 0.000 2.393 575 L HA 0.851 5.191 4.340 0.001 0.000 0.260 575 L C 0.237 177.129 176.870 0.036 0.000 1.002 575 L CA -1.065 53.802 54.840 0.045 0.000 0.818 575 L CB 2.283 44.389 42.059 0.078 0.000 1.369 575 L HN 0.190 nan 8.230 nan 0.000 0.412 576 M N 1.421 121.047 119.600 0.044 0.000 2.501 576 M HA 0.439 4.919 4.480 0.001 0.000 0.293 576 M C -1.069 175.255 176.300 0.039 0.000 1.192 576 M CA -0.779 54.542 55.300 0.034 0.000 0.886 576 M CB 2.932 35.548 32.600 0.025 0.000 1.710 576 M HN 0.151 nan 8.290 nan 0.000 0.457 577 V N 2.840 122.774 119.914 0.033 0.000 2.686 577 V HA 0.276 4.396 4.120 0.001 0.000 0.295 577 V C 0.337 176.447 176.094 0.027 0.000 1.055 577 V CA -0.032 62.287 62.300 0.033 0.000 1.050 577 V CB 1.380 33.222 31.823 0.030 0.000 0.984 577 V HN 0.822 nan 8.190 nan 0.000 0.482 578 V N 4.137 124.066 119.914 0.026 0.000 4.791 578 V HA 0.484 4.604 4.120 0.001 0.000 0.158 578 V C -0.005 176.100 176.094 0.018 0.000 1.013 578 V CA -0.353 61.959 62.300 0.020 0.000 1.393 578 V CB 0.479 32.313 31.823 0.019 0.000 2.056 578 V HN 0.795 nan 8.190 nan 0.000 0.477 579 R N -0.043 120.467 120.500 0.016 0.000 2.604 579 R HA 0.678 5.018 4.340 0.001 0.000 0.270 579 R C -2.645 173.663 176.300 0.012 0.000 1.052 579 R CA -0.833 55.276 56.100 0.014 0.000 0.902 579 R CB 1.587 31.894 30.300 0.011 0.000 1.233 579 R HN 0.603 nan 8.270 nan 0.000 0.455 580 P HA 0.000 nan 4.420 nan 0.000 0.216 580 P CA 0.000 63.107 63.100 0.012 0.000 0.800 580 P CB 0.000 31.704 31.700 0.006 0.000 0.726