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 2d5c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRFAVLGHP VAHSLSPAMH AFALESLGLE GSYEAWDTPL EALPGRLKEV DATA SEQUENCE RRAFRGVNLT LPLKEAALAH LDWVSPEAQR IGAVNTVLQV EGRLFGFNTD DATA SEQUENCE APGFLEALKA GGIPLKGPAL VLGAGGAGRA VAFALREAGL EVWVWNRTPQ DATA SEQUENCE RALALAEEFG LRAVPLEKAR EARLLVNATR VGLEDPSASP LPAELFPEEG DATA SEQUENCE AAVDLVYRPL WTRFLREAKA KGLKVQTGLP MLAWQGALAF RLWTGLLPDP DATA SEQUENCE SGMEEAARRA L 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 0.000 176.164 176.300 -0.227 0.000 1.140 1 M CA 0.000 55.221 55.300 -0.132 0.000 0.988 1 M CB 0.000 32.541 32.600 -0.099 0.000 1.302 2 L N 2.540 123.610 121.223 -0.256 0.000 2.477 2 L HA 0.339 4.681 4.340 0.004 0.000 0.272 2 L C -0.095 176.349 176.870 -0.709 0.000 1.157 2 L CA -0.124 54.393 54.840 -0.539 0.000 0.889 2 L CB -0.011 41.761 42.059 -0.479 0.000 1.158 2 L HN 0.455 nan 8.230 nan 0.000 0.473 3 R N 4.859 124.832 120.500 -0.878 0.000 2.288 3 R HA 0.536 4.878 4.340 0.004 0.000 0.326 3 R C -0.904 174.935 176.300 -0.768 0.000 0.959 3 R CA -0.350 55.299 56.100 -0.752 0.000 0.834 3 R CB 0.873 30.688 30.300 -0.809 0.000 1.157 3 R HN 0.349 nan 8.270 nan 0.000 0.470 4 F N 0.387 120.226 119.950 -0.185 0.000 2.618 4 F HA 0.855 5.385 4.527 0.005 0.000 0.332 4 F C 0.272 175.861 175.800 -0.352 0.000 1.061 4 F CA -1.111 56.684 58.000 -0.341 0.000 0.974 4 F CB 2.145 40.847 39.000 -0.497 0.000 1.310 4 F HN 0.459 nan 8.300 nan 0.000 0.491 5 A N 0.387 122.906 122.820 -0.502 0.000 2.597 5 A HA 0.594 4.916 4.320 0.004 0.000 0.292 5 A C -2.257 175.051 177.584 -0.461 0.000 1.057 5 A CA -0.652 51.069 52.037 -0.528 0.000 0.674 5 A CB 1.409 20.331 19.000 -0.129 0.000 1.278 5 A HN 0.670 nan 8.150 nan 0.000 0.416 6 V N 2.388 122.222 119.914 -0.133 0.000 2.384 6 V HA 0.695 4.818 4.120 0.004 0.000 0.287 6 V C -0.985 175.168 176.094 0.099 0.000 1.020 6 V CA -0.564 61.815 62.300 0.131 0.000 0.850 6 V CB 0.878 32.925 31.823 0.374 0.000 0.987 6 V HN 0.722 nan 8.190 nan 0.000 0.436 7 L N 7.446 128.693 121.223 0.041 0.000 2.317 7 L HA 1.011 5.354 4.340 0.004 0.000 0.281 7 L C 0.619 177.506 176.870 0.028 0.000 1.024 7 L CA 0.124 54.953 54.840 -0.019 0.000 0.810 7 L CB 1.517 43.486 42.059 -0.151 0.000 1.240 7 L HN 0.888 nan 8.230 nan 0.000 0.427 8 G N 0.673 109.497 108.800 0.041 0.000 2.336 8 G HA2 0.361 4.324 3.960 0.004 0.000 0.286 8 G HA3 0.361 4.324 3.960 0.004 0.000 0.286 8 G C -2.223 172.770 174.900 0.155 0.000 1.269 8 G CA -0.563 44.584 45.100 0.078 0.000 0.873 8 G HN 0.666 nan 8.290 nan 0.000 0.494 9 H N 0.561 119.644 119.070 0.022 0.000 3.222 9 H HA 0.542 5.100 4.556 0.004 0.000 0.315 9 H C -2.748 172.589 175.328 0.016 0.000 1.116 9 H CA -0.633 55.428 56.048 0.022 0.000 1.511 9 H CB 2.280 32.044 29.762 0.004 0.000 2.059 9 H HN 0.569 nan 8.280 nan 0.000 0.420 10 P HA 0.211 nan 4.420 nan 0.000 0.284 10 P C 0.149 177.441 177.300 -0.013 0.000 1.258 10 P CA -0.507 62.433 63.100 -0.267 0.000 0.824 10 P CB 2.342 33.861 31.700 -0.300 0.000 1.038 11 V N -2.562 117.405 119.914 0.088 0.000 3.411 11 V HA 0.313 4.436 4.120 0.004 0.000 0.287 11 V C 1.858 178.068 176.094 0.194 0.000 1.543 11 V CA 0.830 63.223 62.300 0.154 0.000 1.028 11 V CB -0.586 31.343 31.823 0.178 0.000 0.840 11 V HN 0.454 nan 8.190 nan 0.000 0.435 12 A N 0.290 123.228 122.820 0.197 0.000 2.076 12 A HA -0.182 4.141 4.320 0.004 0.000 0.220 12 A C 1.754 179.489 177.584 0.252 0.000 1.160 12 A CA 2.306 54.476 52.037 0.221 0.000 0.653 12 A CB -0.841 18.297 19.000 0.230 0.000 0.801 12 A HN 0.743 nan 8.150 nan 0.000 0.455 13 H N -0.938 118.185 119.070 0.088 0.000 2.549 13 H HA 0.276 4.834 4.556 0.004 0.000 0.279 13 H C 0.866 176.275 175.328 0.135 0.000 1.018 13 H CA 0.087 56.192 56.048 0.095 0.000 1.175 13 H CB 0.082 29.886 29.762 0.070 0.000 1.485 13 H HN 0.378 nan 8.280 nan 0.000 0.543 14 S N 0.269 116.115 115.700 0.244 0.000 2.560 14 S HA 0.021 4.494 4.470 0.004 0.000 0.284 14 S C 1.258 175.972 174.600 0.190 0.000 1.327 14 S CA -0.336 58.011 58.200 0.245 0.000 1.055 14 S CB 0.357 63.710 63.200 0.256 0.000 0.868 14 S HN 0.464 nan 8.310 nan 0.000 0.506 15 L N 4.105 125.429 121.223 0.167 0.000 2.592 15 L HA 0.083 4.426 4.340 0.004 0.000 0.227 15 L C 2.249 179.134 176.870 0.024 0.000 1.127 15 L CA 0.016 54.889 54.840 0.056 0.000 0.884 15 L CB -0.312 41.715 42.059 -0.053 0.000 1.065 15 L HN 0.623 nan 8.230 nan 0.000 0.457 16 S N 0.899 116.650 115.700 0.086 0.000 2.368 16 S HA -0.075 4.398 4.470 0.004 0.000 0.225 16 S C -0.557 173.945 174.600 -0.163 0.000 1.030 16 S CA 1.205 59.414 58.200 0.014 0.000 0.999 16 S CB -0.742 62.541 63.200 0.138 0.000 0.844 16 S HN 0.282 nan 8.310 nan 0.000 0.459 17 P HA -0.078 nan 4.420 nan 0.000 0.216 17 P C 1.430 178.769 177.300 0.065 0.000 1.153 17 P CA 1.504 64.681 63.100 0.130 0.000 0.858 17 P CB -0.089 31.770 31.700 0.265 0.000 0.789 18 A N -1.201 121.643 122.820 0.040 0.000 1.898 18 A HA -0.179 4.143 4.320 0.004 0.000 0.216 18 A C 2.193 179.776 177.584 -0.003 0.000 1.181 18 A CA 1.740 53.792 52.037 0.025 0.000 0.620 18 A CB -1.389 17.611 19.000 -0.001 0.000 0.819 18 A HN 0.094 nan 8.150 nan 0.000 0.442 19 M N -1.609 117.946 119.600 -0.076 0.000 2.117 19 M HA -0.153 4.329 4.480 0.004 0.000 0.262 19 M C 2.024 178.220 176.300 -0.174 0.000 1.065 19 M CA 1.734 56.937 55.300 -0.162 0.000 1.114 19 M CB -0.517 31.904 32.600 -0.297 0.000 1.361 19 M HN 0.566 nan 8.290 nan 0.000 0.408 20 H N -0.469 118.518 119.070 -0.138 0.000 2.535 20 H HA 0.165 4.723 4.556 0.004 0.000 0.273 20 H C 2.073 177.442 175.328 0.068 0.000 0.983 20 H CA 0.981 57.000 56.048 -0.048 0.000 1.238 20 H CB -0.009 29.684 29.762 -0.114 0.000 1.412 20 H HN 0.379 nan 8.280 nan 0.000 0.562 21 A N 0.641 123.564 122.820 0.173 0.000 1.902 21 A HA -0.196 4.127 4.320 0.004 0.000 0.217 21 A C 2.047 179.677 177.584 0.077 0.000 1.181 21 A CA 1.436 53.566 52.037 0.155 0.000 0.623 21 A CB -0.874 18.207 19.000 0.135 0.000 0.818 21 A HN 0.493 nan 8.150 nan 0.000 0.443 22 F N 1.183 121.099 119.950 -0.057 0.000 2.102 22 F HA -0.040 4.490 4.527 0.004 0.000 0.298 22 F C 2.451 178.155 175.800 -0.159 0.000 1.105 22 F CA 1.161 59.097 58.000 -0.107 0.000 1.239 22 F CB -0.631 38.279 39.000 -0.152 0.000 0.991 22 F HN 0.247 nan 8.300 nan 0.000 0.474 23 A N 1.172 123.733 122.820 -0.433 0.000 1.892 23 A HA -0.184 4.139 4.320 0.004 0.000 0.218 23 A C 2.345 179.569 177.584 -0.600 0.000 1.188 23 A CA 2.136 53.741 52.037 -0.721 0.000 0.631 23 A CB -1.350 17.149 19.000 -0.836 0.000 0.822 23 A HN 0.532 nan 8.150 nan 0.000 0.447 24 L N -0.403 120.692 121.223 -0.212 0.000 1.989 24 L HA -0.262 4.080 4.340 0.004 0.000 0.211 24 L C 2.794 179.616 176.870 -0.080 0.000 1.071 24 L CA 2.061 56.918 54.840 0.029 0.000 0.749 24 L CB -0.730 41.460 42.059 0.218 0.000 0.890 24 L HN 0.699 nan 8.230 nan 0.000 0.431 25 E N -0.625 119.495 120.200 -0.135 0.000 2.106 25 E HA -0.213 4.140 4.350 0.004 0.000 0.192 25 E C 2.101 178.568 176.600 -0.222 0.000 0.984 25 E CA 1.545 57.867 56.400 -0.131 0.000 0.806 25 E CB -0.694 28.952 29.700 -0.090 0.000 0.750 25 E HN 0.245 nan 8.360 nan 0.000 0.458 26 S N -0.223 115.206 115.700 -0.452 0.000 2.400 26 S HA -0.048 4.424 4.470 0.004 0.000 0.232 26 S C 1.635 176.057 174.600 -0.296 0.000 1.025 26 S CA 1.114 59.009 58.200 -0.509 0.000 0.993 26 S CB -0.259 62.301 63.200 -1.067 0.000 0.808 26 S HN 0.392 nan 8.310 nan 0.000 0.478 27 L N 0.497 121.569 121.223 -0.252 0.000 2.607 27 L HA 0.321 4.663 4.340 0.004 0.000 0.228 27 L C 1.468 178.312 176.870 -0.042 0.000 1.123 27 L CA 0.306 55.074 54.840 -0.119 0.000 0.890 27 L CB -0.204 41.810 42.059 -0.074 0.000 1.103 27 L HN 0.511 nan 8.230 nan 0.000 0.468 28 G N 1.173 109.940 108.800 -0.055 0.000 2.221 28 G HA2 -0.273 3.690 3.960 0.004 0.000 0.265 28 G HA3 -0.273 3.690 3.960 0.004 0.000 0.265 28 G C -0.084 174.828 174.900 0.019 0.000 1.041 28 G CA 0.045 45.134 45.100 -0.018 0.000 0.807 28 G HN 0.251 nan 8.290 nan 0.000 0.502 29 L N -0.495 120.757 121.223 0.049 0.000 2.331 29 L HA 0.588 4.930 4.340 0.004 0.000 0.275 29 L C 0.500 177.419 176.870 0.082 0.000 1.022 29 L CA -0.968 53.928 54.840 0.093 0.000 0.812 29 L CB 1.485 43.663 42.059 0.198 0.000 1.257 29 L HN 0.140 nan 8.230 nan 0.000 0.435 30 E N 1.206 121.439 120.200 0.055 0.000 2.227 30 E HA 0.653 5.006 4.350 0.004 0.000 0.282 30 E C -0.093 176.524 176.600 0.028 0.000 1.015 30 E CA -0.346 56.074 56.400 0.032 0.000 0.823 30 E CB 1.870 31.570 29.700 0.001 0.000 1.081 30 E HN 0.789 nan 8.360 nan 0.000 0.396 31 G N 1.088 109.911 108.800 0.038 0.000 2.322 31 G HA2 0.370 4.333 3.960 0.004 0.000 0.295 31 G HA3 0.370 4.333 3.960 0.004 0.000 0.295 31 G C -1.280 173.659 174.900 0.065 0.000 1.369 31 G CA -0.504 44.600 45.100 0.007 0.000 0.821 31 G HN 0.516 nan 8.290 nan 0.000 0.536 32 S N -1.554 114.173 115.700 0.044 0.000 2.588 32 S HA 0.791 5.264 4.470 0.004 0.000 0.275 32 S C -1.752 173.001 174.600 0.255 0.000 1.130 32 S CA -0.847 57.429 58.200 0.127 0.000 0.855 32 S CB 2.472 65.685 63.200 0.022 0.000 1.116 32 S HN 1.763 nan 8.310 nan 0.000 0.472 33 Y N 1.395 121.814 120.300 0.199 0.000 2.301 33 Y HA 0.422 4.975 4.550 0.004 0.000 0.325 33 Y C -0.750 175.271 175.900 0.201 0.000 1.103 33 Y CA -0.600 57.656 58.100 0.260 0.000 1.182 33 Y CB 1.045 39.698 38.460 0.321 0.000 1.139 33 Y HN 1.001 nan 8.280 nan 0.000 0.443 34 E N 3.597 123.914 120.200 0.195 0.000 2.232 34 E HA 0.895 5.248 4.350 0.004 0.000 0.264 34 E C -1.244 175.480 176.600 0.207 0.000 0.973 34 E CA -1.481 55.042 56.400 0.205 0.000 0.849 34 E CB 2.036 31.803 29.700 0.111 0.000 1.198 34 E HN 0.598 nan 8.360 nan 0.000 0.407 35 A N 1.888 124.842 122.820 0.224 0.000 2.260 35 A HA 0.344 4.666 4.320 0.004 0.000 0.314 35 A C -1.696 176.044 177.584 0.260 0.000 1.257 35 A CA -0.611 51.572 52.037 0.245 0.000 0.871 35 A CB 0.168 19.308 19.000 0.233 0.000 1.166 35 A HN 0.618 nan 8.150 nan 0.000 0.522 36 W N 3.538 124.862 121.300 0.039 0.000 2.391 36 W HA 0.360 5.023 4.660 0.005 0.000 0.312 36 W C -0.757 175.777 176.519 0.025 0.000 1.003 36 W CA -1.552 55.800 57.345 0.013 0.000 1.375 36 W CB 0.711 30.134 29.460 -0.062 0.000 1.253 36 W HN 0.817 nan 8.180 nan 0.000 0.416 37 D N 3.232 123.880 120.400 0.413 0.000 2.451 37 D HA 0.091 4.733 4.640 0.004 0.000 0.254 37 D C -0.394 175.957 176.300 0.085 0.000 1.204 37 D CA 1.419 55.570 54.000 0.252 0.000 0.896 37 D CB 0.757 41.716 40.800 0.265 0.000 1.136 37 D HN 0.107 nan 8.370 nan 0.000 0.499 38 T N 5.692 120.240 114.554 -0.009 0.000 3.008 38 T HA 0.360 4.713 4.350 0.004 0.000 0.328 38 T C -2.570 172.065 174.700 -0.108 0.000 1.020 38 T CA -1.157 60.846 62.100 -0.162 0.000 1.043 38 T CB 1.722 70.412 68.868 -0.295 0.000 1.010 38 T HN 0.221 nan 8.240 nan 0.000 0.466 39 P HA 0.307 nan 4.420 nan 0.000 0.277 39 P C 1.190 178.415 177.300 -0.126 0.000 1.240 39 P CA -0.697 62.290 63.100 -0.189 0.000 0.798 39 P CB 0.887 32.419 31.700 -0.279 0.000 0.979 40 L N 1.181 122.354 121.223 -0.082 0.000 2.034 40 L HA -0.298 4.045 4.340 0.004 0.000 0.217 40 L C 1.999 178.819 176.870 -0.083 0.000 1.077 40 L CA 1.960 56.761 54.840 -0.064 0.000 0.769 40 L CB -0.289 41.750 42.059 -0.033 0.000 0.890 40 L HN 0.458 nan 8.230 nan 0.000 0.435 41 E N -0.705 119.445 120.200 -0.085 0.000 2.265 41 E HA -0.163 4.190 4.350 0.004 0.000 0.196 41 E C 1.761 178.295 176.600 -0.111 0.000 0.996 41 E CA 1.075 57.425 56.400 -0.082 0.000 0.832 41 E CB -0.006 29.652 29.700 -0.069 0.000 0.756 41 E HN 0.545 nan 8.360 nan 0.000 0.491 42 A N -0.405 122.332 122.820 -0.138 0.000 2.195 42 A HA 0.060 4.383 4.320 0.004 0.000 0.210 42 A C 1.808 179.255 177.584 -0.227 0.000 1.165 42 A CA 0.085 52.019 52.037 -0.171 0.000 0.806 42 A CB -0.251 18.640 19.000 -0.182 0.000 0.847 42 A HN 0.295 nan 8.150 nan 0.000 0.482 43 L N 0.884 121.976 121.223 -0.219 0.000 1.990 43 L HA -0.098 4.244 4.340 0.004 0.000 0.213 43 L C -0.737 175.926 176.870 -0.344 0.000 1.072 43 L CA 2.621 57.305 54.840 -0.260 0.000 0.755 43 L CB -1.234 40.709 42.059 -0.193 0.000 0.889 43 L HN 0.150 nan 8.230 nan 0.000 0.432 44 P HA -0.123 nan 4.420 nan 0.000 0.214 44 P C 1.579 178.710 177.300 -0.281 0.000 1.163 44 P CA 1.953 64.760 63.100 -0.489 0.000 0.889 44 P CB -0.406 31.063 31.700 -0.385 0.000 0.790 45 G N -0.696 107.976 108.800 -0.214 0.000 2.422 45 G HA2 -0.247 3.715 3.960 0.004 0.000 0.218 45 G HA3 -0.247 3.715 3.960 0.004 0.000 0.218 45 G C 1.798 176.579 174.900 -0.198 0.000 1.140 45 G CA 0.536 45.540 45.100 -0.159 0.000 0.775 45 G HN 0.148 nan 8.290 nan 0.000 0.545 46 R N 0.281 120.605 120.500 -0.294 0.000 2.075 46 R HA 0.148 4.491 4.340 0.004 0.000 0.232 46 R C 2.448 178.542 176.300 -0.344 0.000 1.126 46 R CA 0.954 56.791 56.100 -0.438 0.000 0.963 46 R CB -0.625 29.338 30.300 -0.562 0.000 0.858 46 R HN 0.384 nan 8.270 nan 0.000 0.435 47 L N 0.261 121.328 121.223 -0.260 0.000 2.217 47 L HA -0.077 4.266 4.340 0.004 0.000 0.211 47 L C 2.334 179.141 176.870 -0.106 0.000 1.107 47 L CA 1.015 55.752 54.840 -0.172 0.000 0.783 47 L CB -0.389 41.591 42.059 -0.131 0.000 0.919 47 L HN 0.142 nan 8.230 nan 0.000 0.442 48 K N 0.483 120.821 120.400 -0.103 0.000 2.057 48 K HA -0.180 4.143 4.320 0.004 0.000 0.207 48 K C 1.921 178.511 176.600 -0.016 0.000 1.049 48 K CA 1.438 57.696 56.287 -0.049 0.000 0.931 48 K CB -0.005 32.467 32.500 -0.047 0.000 0.714 48 K HN 0.433 nan 8.250 nan 0.000 0.440 49 E N 0.234 120.422 120.200 -0.020 0.000 2.106 49 E HA -0.119 4.233 4.350 0.004 0.000 0.192 49 E C 1.997 178.678 176.600 0.135 0.000 0.984 49 E CA 0.793 57.241 56.400 0.080 0.000 0.806 49 E CB 0.031 29.814 29.700 0.139 0.000 0.750 49 E HN -0.021 nan 8.360 nan 0.000 0.458 50 V N 1.418 121.343 119.914 0.020 0.000 2.392 50 V HA -0.292 3.831 4.120 0.004 0.000 0.249 50 V C 2.161 178.311 176.094 0.093 0.000 1.059 50 V CA 1.837 64.165 62.300 0.046 0.000 1.051 50 V CB -0.500 31.256 31.823 -0.113 0.000 0.658 50 V HN 0.211 nan 8.190 nan 0.000 0.455 51 R N -0.310 120.210 120.500 0.034 0.000 2.159 51 R HA -0.129 4.213 4.340 0.004 0.000 0.237 51 R C 2.424 178.737 176.300 0.021 0.000 1.131 51 R CA 1.425 57.533 56.100 0.014 0.000 0.982 51 R CB -0.239 30.060 30.300 -0.001 0.000 0.868 51 R HN 0.534 nan 8.270 nan 0.000 0.453 52 R N -0.994 119.537 120.500 0.051 0.000 2.175 52 R HA 0.182 4.524 4.340 0.004 0.000 0.202 52 R C 1.427 177.738 176.300 0.019 0.000 1.018 52 R CA 0.900 57.018 56.100 0.031 0.000 1.029 52 R CB 0.417 30.738 30.300 0.035 0.000 0.959 52 R HN 0.074 nan 8.270 nan 0.000 0.480 53 A N -0.119 122.754 122.820 0.089 0.000 2.545 53 A HA 0.364 4.686 4.320 0.004 0.000 0.263 53 A C -0.432 176.982 177.584 -0.284 0.000 1.202 53 A CA -0.262 51.736 52.037 -0.064 0.000 0.959 53 A CB 0.551 19.502 19.000 -0.081 0.000 1.124 53 A HN 0.053 nan 8.150 nan 0.000 0.543 54 F N -1.274 118.604 119.950 -0.119 0.000 2.551 54 F HA 0.570 5.100 4.527 0.004 0.000 0.316 54 F C 0.992 176.648 175.800 -0.239 0.000 1.089 54 F CA -1.057 56.823 58.000 -0.199 0.000 0.915 54 F CB 2.015 40.923 39.000 -0.152 0.000 1.186 54 F HN 0.039 nan 8.300 nan 0.000 0.456 55 R N 1.371 121.730 120.500 -0.235 0.000 2.119 55 R HA 0.382 4.724 4.340 0.004 0.000 0.222 55 R C 0.170 176.352 176.300 -0.196 0.000 1.088 55 R CA 1.061 57.022 56.100 -0.232 0.000 0.984 55 R CB -0.134 29.937 30.300 -0.382 0.000 0.884 55 R HN 0.839 nan 8.270 nan 0.000 0.447 56 G N -1.259 107.356 108.800 -0.309 0.000 2.601 56 G HA2 0.473 4.436 3.960 0.004 0.000 0.291 56 G HA3 0.473 4.436 3.960 0.004 0.000 0.291 56 G C -1.720 172.902 174.900 -0.464 0.000 1.456 56 G CA -0.198 44.560 45.100 -0.571 0.000 0.804 56 G HN 0.471 nan 8.290 nan 0.000 0.499 57 V N -1.997 117.857 119.914 -0.101 0.000 3.087 57 V HA 0.758 4.881 4.120 0.004 0.000 0.306 57 V C -0.674 175.626 176.094 0.344 0.000 1.187 57 V CA -1.479 60.811 62.300 -0.017 0.000 0.999 57 V CB 1.641 33.391 31.823 -0.123 0.000 1.049 57 V HN 0.771 nan 8.190 nan 0.000 0.431 58 N N 1.485 120.376 118.700 0.317 0.000 2.466 58 N HA 0.800 5.543 4.740 0.004 0.000 0.294 58 N C -1.207 174.424 175.510 0.202 0.000 1.129 58 N CA -0.739 52.522 53.050 0.353 0.000 0.931 58 N CB 1.728 40.469 38.487 0.424 0.000 1.193 58 N HN 0.683 nan 8.380 nan 0.000 0.500 59 L N 0.721 122.048 121.223 0.175 0.000 2.365 59 L HA 0.562 4.905 4.340 0.004 0.000 0.273 59 L C 0.138 177.077 176.870 0.115 0.000 1.000 59 L CA -0.460 54.447 54.840 0.111 0.000 0.819 59 L CB 2.035 44.145 42.059 0.086 0.000 1.284 59 L HN 0.513 nan 8.230 nan 0.000 0.418 60 T N 1.313 115.924 114.554 0.095 0.000 2.742 60 T HA 0.588 4.941 4.350 0.004 0.000 0.282 60 T C -0.611 174.126 174.700 0.062 0.000 1.025 60 T CA -0.595 61.560 62.100 0.091 0.000 1.020 60 T CB 1.065 70.003 68.868 0.115 0.000 1.317 60 T HN 0.201 nan 8.240 nan 0.000 0.538 61 L N 3.317 124.569 121.223 0.049 0.000 2.543 61 L HA 0.222 4.565 4.340 0.004 0.000 0.285 61 L C -1.639 175.262 176.870 0.052 0.000 1.236 61 L CA -0.204 54.657 54.840 0.035 0.000 0.871 61 L CB -0.004 42.065 42.059 0.017 0.000 1.121 61 L HN 0.449 nan 8.230 nan 0.000 0.501 62 P HA 0.241 nan 4.420 nan 0.000 0.253 62 P C 0.173 177.483 177.300 0.017 0.000 1.872 62 P CA -0.040 63.077 63.100 0.028 0.000 1.148 62 P CB 0.261 31.980 31.700 0.032 0.000 1.753 63 L N -0.811 120.423 121.223 0.019 0.000 2.638 63 L HA 0.253 4.595 4.340 0.004 0.000 0.232 63 L C 2.139 179.022 176.870 0.022 0.000 1.099 63 L CA 0.075 54.922 54.840 0.011 0.000 0.883 63 L CB -0.194 41.861 42.059 -0.006 0.000 1.136 63 L HN -0.076 nan 8.230 nan 0.000 0.492 64 K N 0.828 121.244 120.400 0.026 0.000 2.152 64 K HA -0.184 4.138 4.320 0.004 0.000 0.206 64 K C 1.627 178.236 176.600 0.014 0.000 1.048 64 K CA 1.512 57.816 56.287 0.028 0.000 0.933 64 K CB 0.097 32.615 32.500 0.030 0.000 0.721 64 K HN 0.253 nan 8.250 nan 0.000 0.447 65 E N 0.232 120.435 120.200 0.004 0.000 2.102 65 E HA 0.017 4.370 4.350 0.004 0.000 0.190 65 E C 1.786 178.383 176.600 -0.004 0.000 0.971 65 E CA 0.858 57.253 56.400 -0.009 0.000 0.821 65 E CB -0.163 29.525 29.700 -0.019 0.000 0.777 65 E HN 0.256 nan 8.360 nan 0.000 0.460 66 A N 1.150 123.978 122.820 0.014 0.000 2.070 66 A HA -0.011 4.312 4.320 0.004 0.000 0.220 66 A C 2.282 179.921 177.584 0.091 0.000 1.159 66 A CA 1.545 53.605 52.037 0.039 0.000 0.656 66 A CB -0.675 18.360 19.000 0.057 0.000 0.800 66 A HN 0.249 nan 8.150 nan 0.000 0.453 67 A N -0.276 122.593 122.820 0.082 0.000 1.933 67 A HA -0.003 4.319 4.320 0.004 0.000 0.218 67 A C 1.926 179.555 177.584 0.075 0.000 1.175 67 A CA 1.537 53.645 52.037 0.118 0.000 0.628 67 A CB -0.523 18.519 19.000 0.069 0.000 0.814 67 A HN 0.404 nan 8.150 nan 0.000 0.444 68 L N -0.238 120.988 121.223 0.004 0.000 2.089 68 L HA -0.241 4.101 4.340 0.004 0.000 0.213 68 L C 2.897 179.720 176.870 -0.079 0.000 1.079 68 L CA 1.973 56.787 54.840 -0.042 0.000 0.758 68 L CB -0.734 41.281 42.059 -0.072 0.000 0.891 68 L HN 0.398 nan 8.230 nan 0.000 0.433 69 A N -1.714 121.014 122.820 -0.154 0.000 2.121 69 A HA -0.159 4.164 4.320 0.004 0.000 0.218 69 A C 1.539 178.911 177.584 -0.354 0.000 1.154 69 A CA 1.234 53.102 52.037 -0.281 0.000 0.679 69 A CB -0.852 17.913 19.000 -0.392 0.000 0.795 69 A HN 0.620 nan 8.150 nan 0.000 0.458 70 H N -1.335 117.728 119.070 -0.011 0.000 2.505 70 H HA 0.479 5.038 4.556 0.005 0.000 0.286 70 H C -0.236 175.102 175.328 0.016 0.000 1.072 70 H CA -0.279 55.767 56.048 -0.004 0.000 1.141 70 H CB 0.126 29.877 29.762 -0.018 0.000 1.550 70 H HN 0.294 nan 8.280 nan 0.000 0.547 71 L N 0.109 121.389 121.223 0.095 0.000 2.334 71 L HA 0.240 4.583 4.340 0.004 0.000 0.270 71 L C 0.647 177.598 176.870 0.135 0.000 1.018 71 L CA -0.618 54.295 54.840 0.121 0.000 0.811 71 L CB 1.833 43.961 42.059 0.115 0.000 1.271 71 L HN 0.208 nan 8.230 nan 0.000 0.443 72 D N 0.201 120.732 120.400 0.218 0.000 2.289 72 D HA -0.030 4.613 4.640 0.004 0.000 0.207 72 D C -0.427 176.080 176.300 0.344 0.000 0.966 72 D CA 1.177 55.333 54.000 0.259 0.000 0.868 72 D CB 0.630 41.615 40.800 0.308 0.000 0.943 72 D HN 0.434 nan 8.370 nan 0.000 0.514 73 W N 0.655 122.027 121.300 0.120 0.000 3.479 73 W HA 0.334 4.998 4.660 0.006 0.000 0.304 73 W C -2.087 174.361 176.519 -0.118 0.000 1.243 73 W CA -0.561 56.756 57.345 -0.046 0.000 1.202 73 W CB 1.042 30.363 29.460 -0.231 0.000 1.346 73 W HN -0.465 nan 8.180 nan 0.000 0.539 74 V N 4.738 124.179 119.914 -0.789 0.000 2.656 74 V HA 0.432 4.555 4.120 0.004 0.000 0.307 74 V C 0.290 175.456 176.094 -1.547 0.000 1.051 74 V CA -0.815 60.994 62.300 -0.819 0.000 0.893 74 V CB 1.614 33.167 31.823 -0.449 0.000 0.999 74 V HN 0.606 nan 8.190 nan 0.000 0.426 75 S N 4.586 119.493 115.700 -1.322 0.000 2.573 75 S HA 0.189 4.662 4.470 0.004 0.000 0.277 75 S C -1.720 172.528 174.600 -0.587 0.000 1.346 75 S CA -0.494 57.084 58.200 -1.035 0.000 1.034 75 S CB 0.831 63.850 63.200 -0.302 0.000 0.879 75 S HN 0.566 nan 8.310 nan 0.000 0.528 76 P HA -0.120 nan 4.420 nan 0.000 0.216 76 P C 1.058 178.249 177.300 -0.182 0.000 1.153 76 P CA 1.460 64.434 63.100 -0.210 0.000 0.858 76 P CB -0.004 31.653 31.700 -0.072 0.000 0.789 77 E N -0.376 119.714 120.200 -0.183 0.000 2.072 77 E HA -0.104 4.249 4.350 0.004 0.000 0.191 77 E C 2.148 178.484 176.600 -0.441 0.000 0.985 77 E CA 1.443 57.617 56.400 -0.376 0.000 0.801 77 E CB -1.114 28.374 29.700 -0.353 0.000 0.750 77 E HN 0.144 nan 8.360 nan 0.000 0.452 78 A N 0.772 123.413 122.820 -0.298 0.000 2.015 78 A HA -0.231 4.092 4.320 0.004 0.000 0.219 78 A C 2.022 179.480 177.584 -0.210 0.000 1.163 78 A CA 1.307 53.203 52.037 -0.237 0.000 0.646 78 A CB -0.360 18.526 19.000 -0.191 0.000 0.806 78 A HN 0.191 nan 8.150 nan 0.000 0.448 79 Q N -0.762 118.899 119.800 -0.233 0.000 2.046 79 Q HA -0.129 4.214 4.340 0.004 0.000 0.200 79 Q C 2.323 178.273 176.000 -0.083 0.000 0.975 79 Q CA 1.149 56.848 55.803 -0.172 0.000 0.836 79 Q CB -0.155 28.465 28.738 -0.196 0.000 0.896 79 Q HN 0.489 nan 8.270 nan 0.000 0.428 80 R N 0.464 120.925 120.500 -0.065 0.000 2.075 80 R HA -0.058 4.285 4.340 0.004 0.000 0.232 80 R C 2.191 178.618 176.300 0.211 0.000 1.126 80 R CA 1.059 57.221 56.100 0.104 0.000 0.963 80 R CB -0.560 29.817 30.300 0.128 0.000 0.858 80 R HN 0.347 nan 8.270 nan 0.000 0.435 81 I N -0.068 120.512 120.570 0.016 0.000 2.394 81 I HA -0.112 4.061 4.170 0.004 0.000 0.251 81 I C 1.341 177.476 176.117 0.030 0.000 1.136 81 I CA 1.297 62.646 61.300 0.082 0.000 1.425 81 I CB -0.345 37.581 38.000 -0.123 0.000 1.079 81 I HN 0.402 nan 8.210 nan 0.000 0.425 82 G N 1.137 109.921 108.800 -0.026 0.000 2.143 82 G HA2 -0.128 3.835 3.960 0.004 0.000 0.248 82 G HA3 -0.128 3.835 3.960 0.004 0.000 0.248 82 G C 0.113 174.988 174.900 -0.041 0.000 0.991 82 G CA 0.089 45.165 45.100 -0.039 0.000 0.689 82 G HN 0.758 nan 8.290 nan 0.000 0.522 83 A N -1.223 121.570 122.820 -0.044 0.000 2.488 83 A HA 0.824 5.146 4.320 0.004 0.000 0.298 83 A C -0.773 176.799 177.584 -0.019 0.000 1.044 83 A CA -0.181 51.841 52.037 -0.024 0.000 0.693 83 A CB 2.260 21.254 19.000 -0.010 0.000 1.272 83 A HN 1.275 nan 8.150 nan 0.000 0.402 84 V N 3.411 123.331 119.914 0.010 0.000 2.448 84 V HA 0.372 4.495 4.120 0.004 0.000 0.295 84 V C 0.451 176.596 176.094 0.085 0.000 1.025 84 V CA -0.255 62.072 62.300 0.045 0.000 0.859 84 V CB 1.719 33.571 31.823 0.048 0.000 0.988 84 V HN 1.036 nan 8.190 nan 0.000 0.431 85 N N 2.118 120.888 118.700 0.117 0.000 2.197 85 N HA 0.071 4.813 4.740 0.004 0.000 0.201 85 N C 0.017 175.643 175.510 0.193 0.000 1.148 85 N CA -0.129 53.004 53.050 0.138 0.000 0.883 85 N CB 1.336 39.897 38.487 0.123 0.000 1.012 85 N HN 0.531 nan 8.380 nan 0.000 0.507 86 T N 0.888 115.582 114.554 0.234 0.000 2.928 86 T HA 0.466 4.819 4.350 0.004 0.000 0.296 86 T C -1.090 173.883 174.700 0.454 0.000 1.000 86 T CA -0.458 61.834 62.100 0.320 0.000 0.989 86 T CB 2.507 71.471 68.868 0.161 0.000 1.005 86 T HN -0.122 nan 8.240 nan 0.000 0.442 87 V N 4.039 124.265 119.914 0.521 0.000 2.540 87 V HA 0.622 4.744 4.120 0.004 0.000 0.302 87 V C -0.686 175.768 176.094 0.600 0.000 1.035 87 V CA -0.917 61.674 62.300 0.486 0.000 0.873 87 V CB 1.800 33.787 31.823 0.273 0.000 0.992 87 V HN 0.734 nan 8.190 nan 0.000 0.428 88 L N 4.163 125.739 121.223 0.588 0.000 2.307 88 L HA 0.607 4.950 4.340 0.004 0.000 0.284 88 L C -0.378 176.595 176.870 0.171 0.000 1.023 88 L CA 0.153 55.283 54.840 0.482 0.000 0.810 88 L CB 1.623 44.042 42.059 0.600 0.000 1.231 88 L HN 0.732 nan 8.230 nan 0.000 0.423 89 Q N 5.039 124.871 119.800 0.052 0.000 2.325 89 Q HA 0.594 4.937 4.340 0.004 0.000 0.262 89 Q C -1.794 174.136 176.000 -0.115 0.000 0.968 89 Q CA -0.603 55.158 55.803 -0.070 0.000 0.877 89 Q CB 1.615 30.334 28.738 -0.032 0.000 1.253 89 Q HN 0.643 nan 8.270 nan 0.000 0.448 90 V N 0.972 120.743 119.914 -0.238 0.000 2.623 90 V HA 0.446 4.569 4.120 0.004 0.000 0.304 90 V C -0.046 175.943 176.094 -0.174 0.000 1.054 90 V CA -0.737 61.452 62.300 -0.185 0.000 0.882 90 V CB 1.511 33.221 31.823 -0.189 0.000 1.002 90 V HN 0.983 nan 8.190 nan 0.000 0.424 91 E N 2.940 123.082 120.200 -0.096 0.000 2.539 91 E HA -0.268 4.085 4.350 0.004 0.000 0.253 91 E C 1.305 177.865 176.600 -0.067 0.000 1.145 91 E CA 0.922 57.282 56.400 -0.066 0.000 0.738 91 E CB -1.288 28.385 29.700 -0.045 0.000 1.308 91 E HN 2.098 nan 8.360 nan 0.000 0.409 92 G N -0.359 108.395 108.800 -0.076 0.000 2.162 92 G HA2 -0.347 3.615 3.960 0.004 0.000 0.260 92 G HA3 -0.347 3.615 3.960 0.004 0.000 0.260 92 G C 0.141 175.000 174.900 -0.069 0.000 0.976 92 G CA 0.594 45.660 45.100 -0.056 0.000 0.655 92 G HN 0.144 nan 8.290 nan 0.000 0.533 93 R N -0.310 120.107 120.500 -0.138 0.000 2.486 93 R HA 0.734 5.077 4.340 0.004 0.000 0.286 93 R C 0.177 176.315 176.300 -0.270 0.000 0.999 93 R CA -0.768 55.231 56.100 -0.168 0.000 0.993 93 R CB 0.979 31.149 30.300 -0.216 0.000 1.084 93 R HN 0.269 nan 8.270 nan 0.000 0.487 94 L N 3.007 124.164 121.223 -0.111 0.000 2.333 94 L HA 0.533 4.875 4.340 0.004 0.000 0.280 94 L C -0.425 176.586 176.870 0.235 0.000 1.004 94 L CA -0.410 54.423 54.840 -0.013 0.000 0.820 94 L CB 1.039 43.141 42.059 0.072 0.000 1.247 94 L HN 0.376 nan 8.230 nan 0.000 0.416 95 F N 0.869 120.948 119.950 0.215 0.000 2.458 95 F HA 0.567 5.098 4.527 0.006 0.000 0.336 95 F C 0.840 176.742 175.800 0.170 0.000 1.114 95 F CA -1.015 57.130 58.000 0.241 0.000 0.987 95 F CB 2.268 41.422 39.000 0.257 0.000 1.130 95 F HN 0.479 nan 8.300 nan 0.000 0.458 96 G N 3.047 111.943 108.800 0.161 0.000 2.379 96 G HA2 0.660 4.623 3.960 0.004 0.000 0.327 96 G HA3 0.660 4.623 3.960 0.004 0.000 0.327 96 G C -1.525 173.196 174.900 -0.299 0.000 1.145 96 G CA -0.227 44.889 45.100 0.026 0.000 0.905 96 G HN 0.464 nan 8.290 nan 0.000 0.466 97 F N 0.073 120.128 119.950 0.176 0.000 2.675 97 F HA 0.523 5.053 4.527 0.004 0.000 0.324 97 F C -0.001 175.826 175.800 0.045 0.000 1.106 97 F CA -1.270 56.797 58.000 0.112 0.000 0.970 97 F CB 2.402 41.487 39.000 0.142 0.000 1.385 97 F HN 0.342 nan 8.300 nan 0.000 0.489 98 N N 0.098 118.930 118.700 0.220 0.000 2.540 98 N HA 0.161 4.903 4.740 0.004 0.000 0.275 98 N C -0.109 175.461 175.510 0.100 0.000 1.053 98 N CA -0.021 53.090 53.050 0.102 0.000 0.876 98 N CB 1.700 40.178 38.487 -0.015 0.000 1.284 98 N HN 0.795 nan 8.380 nan 0.000 0.518 99 T N -0.738 113.875 114.554 0.099 0.000 3.086 99 T HA 0.109 4.461 4.350 0.004 0.000 0.250 99 T C 0.776 175.545 174.700 0.115 0.000 1.074 99 T CA 0.231 62.383 62.100 0.088 0.000 0.988 99 T CB 0.281 69.175 68.868 0.044 0.000 0.988 99 T HN 0.230 nan 8.240 nan 0.000 0.530 100 D N 2.095 122.562 120.400 0.111 0.000 2.117 100 D HA 0.010 4.653 4.640 0.004 0.000 0.197 100 D C 2.355 178.749 176.300 0.158 0.000 0.987 100 D CA 1.428 55.508 54.000 0.134 0.000 0.829 100 D CB -0.304 40.556 40.800 0.101 0.000 0.961 100 D HN 0.571 nan 8.370 nan 0.000 0.460 101 A N 1.969 124.865 122.820 0.126 0.000 1.845 101 A HA -0.112 4.210 4.320 0.004 0.000 0.215 101 A C -0.158 177.549 177.584 0.206 0.000 1.195 101 A CA 1.669 53.811 52.037 0.175 0.000 0.616 101 A CB -1.609 17.493 19.000 0.170 0.000 0.832 101 A HN 0.211 nan 8.150 nan 0.000 0.443 102 P HA -0.093 nan 4.420 nan 0.000 0.218 102 P C 1.686 179.027 177.300 0.068 0.000 1.149 102 P CA 1.771 64.934 63.100 0.104 0.000 0.817 102 P CB -0.463 31.291 31.700 0.089 0.000 0.785 103 G N -0.314 108.568 108.800 0.137 0.000 2.422 103 G HA2 -0.280 3.682 3.960 0.004 0.000 0.218 103 G HA3 -0.280 3.682 3.960 0.004 0.000 0.218 103 G C 1.400 176.364 174.900 0.108 0.000 1.146 103 G CA 0.279 45.482 45.100 0.171 0.000 0.769 103 G HN 0.182 nan 8.290 nan 0.000 0.547 104 F N 1.253 121.218 119.950 0.025 0.000 2.102 104 F HA 0.006 4.536 4.527 0.004 0.000 0.298 104 F C 2.450 178.213 175.800 -0.061 0.000 1.105 104 F CA 1.240 59.245 58.000 0.010 0.000 1.239 104 F CB -0.198 38.828 39.000 0.042 0.000 0.991 104 F HN 0.039 nan 8.300 nan 0.000 0.474 105 L N -0.060 121.134 121.223 -0.049 0.000 2.083 105 L HA -0.183 4.159 4.340 0.004 0.000 0.209 105 L C 2.503 179.154 176.870 -0.365 0.000 1.083 105 L CA 1.242 55.968 54.840 -0.189 0.000 0.752 105 L CB -0.786 41.240 42.059 -0.055 0.000 0.899 105 L HN 0.147 nan 8.230 nan 0.000 0.433 106 E N 0.363 120.266 120.200 -0.494 0.000 2.072 106 E HA -0.187 4.165 4.350 0.004 0.000 0.191 106 E C 2.311 178.388 176.600 -0.872 0.000 0.985 106 E CA 1.358 57.196 56.400 -0.936 0.000 0.801 106 E CB -0.175 28.467 29.700 -1.763 0.000 0.750 106 E HN 0.469 nan 8.360 nan 0.000 0.452 107 A N 1.595 124.049 122.820 -0.610 0.000 1.902 107 A HA -0.131 4.192 4.320 0.004 0.000 0.217 107 A C 2.385 179.800 177.584 -0.282 0.000 1.181 107 A CA 0.948 52.821 52.037 -0.273 0.000 0.623 107 A CB -0.696 18.241 19.000 -0.106 0.000 0.818 107 A HN 0.145 nan 8.150 nan 0.000 0.443 108 L N -0.660 120.309 121.223 -0.424 0.000 2.012 108 L HA -0.243 4.100 4.340 0.004 0.000 0.210 108 L C 2.628 179.367 176.870 -0.219 0.000 1.073 108 L CA 1.974 56.604 54.840 -0.351 0.000 0.748 108 L CB -0.526 41.280 42.059 -0.422 0.000 0.891 108 L HN 0.421 nan 8.230 nan 0.000 0.431 109 K N -0.037 120.221 120.400 -0.236 0.000 2.057 109 K HA -0.137 4.186 4.320 0.004 0.000 0.207 109 K C 2.123 178.658 176.600 -0.108 0.000 1.049 109 K CA 1.352 57.541 56.287 -0.164 0.000 0.931 109 K CB -0.255 32.131 32.500 -0.190 0.000 0.714 109 K HN 0.273 nan 8.250 nan 0.000 0.440 110 A N 0.980 123.737 122.820 -0.105 0.000 2.070 110 A HA -0.063 4.260 4.320 0.004 0.000 0.220 110 A C 2.077 179.662 177.584 0.002 0.000 1.159 110 A CA 1.674 53.713 52.037 0.004 0.000 0.656 110 A CB -0.502 18.574 19.000 0.127 0.000 0.800 110 A HN 0.424 nan 8.150 nan 0.000 0.453 111 G N -2.224 106.555 108.800 -0.034 0.000 3.126 111 G HA2 0.386 4.349 3.960 0.004 0.000 0.224 111 G HA3 0.386 4.349 3.960 0.004 0.000 0.224 111 G C 1.059 175.948 174.900 -0.017 0.000 1.142 111 G CA 0.436 45.527 45.100 -0.016 0.000 0.759 111 G HN 1.498 nan 8.290 nan 0.000 0.550 112 G N 0.577 109.358 108.800 -0.032 0.000 2.179 112 G HA2 -0.266 3.697 3.960 0.004 0.000 0.257 112 G HA3 -0.266 3.697 3.960 0.004 0.000 0.257 112 G C 0.300 175.182 174.900 -0.030 0.000 1.010 112 G CA 0.081 45.165 45.100 -0.026 0.000 0.736 112 G HN 0.328 nan 8.290 nan 0.000 0.513 113 I N 2.226 122.767 120.570 -0.048 0.000 2.379 113 I HA 0.216 4.388 4.170 0.004 0.000 0.290 113 I C -1.247 174.840 176.117 -0.050 0.000 1.063 113 I CA -2.642 58.632 61.300 -0.043 0.000 1.351 113 I CB 0.211 38.174 38.000 -0.062 0.000 1.410 113 I HN 0.023 nan 8.210 nan 0.000 0.505 114 P HA 0.091 nan 4.420 nan 0.000 0.268 114 P C -0.228 177.050 177.300 -0.036 0.000 1.204 114 P CA -0.294 62.785 63.100 -0.034 0.000 0.768 114 P CB 1.028 32.713 31.700 -0.024 0.000 0.842 115 L N 3.707 124.905 121.223 -0.041 0.000 2.376 115 L HA 0.139 4.482 4.340 0.004 0.000 0.250 115 L C 0.922 177.771 176.870 -0.036 0.000 1.335 115 L CA 0.341 55.159 54.840 -0.036 0.000 1.214 115 L CB -0.755 41.280 42.059 -0.040 0.000 1.395 115 L HN 0.221 nan 8.230 nan 0.000 0.424 116 K N 0.906 121.284 120.400 -0.037 0.000 2.397 116 K HA 0.588 4.911 4.320 0.004 0.000 0.253 116 K C 0.179 176.735 176.600 -0.074 0.000 0.932 116 K CA -0.550 55.708 56.287 -0.049 0.000 0.795 116 K CB 2.624 35.100 32.500 -0.041 0.000 1.159 116 K HN 0.340 nan 8.250 nan 0.000 0.424 117 G N 2.248 110.986 108.800 -0.105 0.000 2.642 117 G HA2 0.496 4.459 3.960 0.004 0.000 0.291 117 G HA3 0.496 4.459 3.960 0.004 0.000 0.291 117 G C -2.625 172.139 174.900 -0.227 0.000 1.345 117 G CA -1.411 43.577 45.100 -0.186 0.000 1.043 117 G HN 0.249 nan 8.290 nan 0.000 0.528 118 P HA 0.381 nan 4.420 nan 0.000 0.268 118 P C -0.625 176.319 177.300 -0.593 0.000 1.205 118 P CA 0.116 62.757 63.100 -0.764 0.000 0.771 118 P CB 1.164 31.857 31.700 -1.678 0.000 0.858 119 A N 3.481 126.030 122.820 -0.452 0.000 2.271 119 A HA 0.533 4.855 4.320 0.004 0.000 0.317 119 A C -0.950 176.548 177.584 -0.144 0.000 1.245 119 A CA -0.528 51.386 52.037 -0.204 0.000 0.857 119 A CB 0.069 19.025 19.000 -0.074 0.000 1.175 119 A HN 0.543 nan 8.150 nan 0.000 0.512 120 L N 4.230 125.436 121.223 -0.029 0.000 2.272 120 L HA 0.614 4.956 4.340 0.004 0.000 0.289 120 L C -0.788 176.151 176.870 0.116 0.000 1.032 120 L CA -0.159 54.756 54.840 0.125 0.000 0.810 120 L CB 1.535 43.716 42.059 0.202 0.000 1.205 120 L HN 0.374 nan 8.230 nan 0.000 0.422 121 V N 6.757 126.747 119.914 0.128 0.000 2.370 121 V HA 0.356 4.478 4.120 0.004 0.000 0.279 121 V C 0.178 176.354 176.094 0.136 0.000 1.029 121 V CA -0.558 61.792 62.300 0.083 0.000 0.870 121 V CB 1.192 33.037 31.823 0.037 0.000 0.984 121 V HN 0.590 nan 8.190 nan 0.000 0.451 122 L N 5.043 126.336 121.223 0.116 0.000 2.265 122 L HA 0.787 5.130 4.340 0.004 0.000 0.288 122 L C 0.732 177.687 176.870 0.142 0.000 1.058 122 L CA -0.077 54.899 54.840 0.227 0.000 0.809 122 L CB 0.969 43.105 42.059 0.128 0.000 1.179 122 L HN 0.931 nan 8.230 nan 0.000 0.429 123 G N 2.660 111.542 108.800 0.138 0.000 3.367 123 G HA2 0.118 4.081 3.960 0.004 0.000 0.686 123 G HA3 0.118 4.081 3.960 0.004 0.000 0.686 123 G C -0.305 174.567 174.900 -0.047 0.000 1.146 123 G CA -0.323 44.775 45.100 -0.003 0.000 0.913 123 G HN 0.885 nan 8.290 nan 0.000 0.554 124 A N 1.695 124.453 122.820 -0.103 0.000 2.701 124 A HA 0.792 5.115 4.320 0.004 0.000 0.297 124 A C 1.370 178.893 177.584 -0.103 0.000 1.197 124 A CA 1.127 53.100 52.037 -0.107 0.000 0.963 124 A CB -0.127 18.786 19.000 -0.144 0.000 1.175 124 A HN 2.081 nan 8.150 nan 0.000 0.531 125 G N -0.860 107.892 108.800 -0.080 0.000 2.509 125 G HA2 0.410 4.373 3.960 0.004 0.000 0.269 125 G HA3 0.410 4.373 3.960 0.004 0.000 0.269 125 G C 1.156 176.027 174.900 -0.048 0.000 1.416 125 G CA 0.167 45.228 45.100 -0.066 0.000 1.052 125 G HN 0.490 nan 8.290 nan 0.000 0.542 126 G N -0.214 108.566 108.800 -0.033 0.000 2.440 126 G HA2 0.018 3.980 3.960 0.004 0.000 0.218 126 G HA3 0.018 3.980 3.960 0.004 0.000 0.218 126 G C 1.952 176.848 174.900 -0.007 0.000 1.154 126 G CA 1.950 47.039 45.100 -0.017 0.000 0.767 126 G HN 0.896 nan 8.290 nan 0.000 0.552 127 A N 0.776 123.590 122.820 -0.011 0.000 1.898 127 A HA 0.206 4.529 4.320 0.004 0.000 0.216 127 A C 2.725 180.286 177.584 -0.039 0.000 1.181 127 A CA 2.027 54.057 52.037 -0.012 0.000 0.620 127 A CB -1.058 17.936 19.000 -0.009 0.000 0.819 127 A HN 0.532 nan 8.150 nan 0.000 0.442 128 G N -0.566 108.208 108.800 -0.042 0.000 2.422 128 G HA2 -0.213 3.749 3.960 0.004 0.000 0.218 128 G HA3 -0.213 3.749 3.960 0.004 0.000 0.218 128 G C 1.756 176.645 174.900 -0.018 0.000 1.146 128 G CA 0.851 45.922 45.100 -0.048 0.000 0.769 128 G HN 0.559 nan 8.290 nan 0.000 0.547 129 R N 0.383 120.883 120.500 -0.001 0.000 2.115 129 R HA 0.091 4.434 4.340 0.004 0.000 0.230 129 R C 2.962 179.381 176.300 0.199 0.000 1.111 129 R CA 0.973 57.116 56.100 0.072 0.000 0.976 129 R CB -0.246 30.064 30.300 0.017 0.000 0.870 129 R HN 0.359 nan 8.270 nan 0.000 0.445 130 A N 0.594 123.467 122.820 0.088 0.000 1.897 130 A HA -0.076 4.247 4.320 0.004 0.000 0.215 130 A C 2.309 179.935 177.584 0.070 0.000 1.181 130 A CA 1.074 53.161 52.037 0.083 0.000 0.620 130 A CB -0.392 18.623 19.000 0.027 0.000 0.821 130 A HN 0.092 nan 8.150 nan 0.000 0.443 131 V N -0.041 119.816 119.914 -0.095 0.000 2.295 131 V HA -0.236 3.887 4.120 0.004 0.000 0.246 131 V C 3.066 179.082 176.094 -0.129 0.000 1.049 131 V CA 1.909 63.991 62.300 -0.363 0.000 1.024 131 V CB -1.201 30.251 31.823 -0.617 0.000 0.648 131 V HN 0.603 nan 8.190 nan 0.000 0.447 132 A N -0.527 122.313 122.820 0.034 0.000 1.902 132 A HA -0.256 4.066 4.320 0.004 0.000 0.217 132 A C 2.121 179.844 177.584 0.231 0.000 1.181 132 A CA 2.085 54.214 52.037 0.152 0.000 0.623 132 A CB -0.742 18.390 19.000 0.220 0.000 0.818 132 A HN 0.533 nan 8.150 nan 0.000 0.443 133 F N 0.911 120.959 119.950 0.162 0.000 2.134 133 F HA -0.079 4.451 4.527 0.005 0.000 0.299 133 F C 2.513 178.276 175.800 -0.062 0.000 1.097 133 F CA 1.293 59.258 58.000 -0.058 0.000 1.264 133 F CB -0.373 38.583 39.000 -0.073 0.000 1.001 133 F HN 0.250 nan 8.300 nan 0.000 0.479 134 A N 0.536 123.495 122.820 0.233 0.000 1.877 134 A HA -0.122 4.200 4.320 0.004 0.000 0.216 134 A C 2.259 179.884 177.584 0.067 0.000 1.186 134 A CA 1.754 53.894 52.037 0.172 0.000 0.620 134 A CB -1.186 17.971 19.000 0.263 0.000 0.822 134 A HN 0.481 nan 8.150 nan 0.000 0.443 135 L N -1.147 120.120 121.223 0.074 0.000 2.141 135 L HA -0.130 4.212 4.340 0.004 0.000 0.209 135 L C 2.765 179.619 176.870 -0.026 0.000 1.094 135 L CA 1.448 56.324 54.840 0.060 0.000 0.763 135 L CB -0.438 41.664 42.059 0.072 0.000 0.908 135 L HN 0.460 nan 8.230 nan 0.000 0.437 136 R N 0.589 121.035 120.500 -0.090 0.000 2.075 136 R HA -0.205 4.138 4.340 0.004 0.000 0.232 136 R C 2.201 178.371 176.300 -0.217 0.000 1.126 136 R CA 1.624 57.630 56.100 -0.156 0.000 0.963 136 R CB -0.068 30.088 30.300 -0.240 0.000 0.858 136 R HN 0.361 nan 8.270 nan 0.000 0.435 137 E N -0.107 119.911 120.200 -0.302 0.000 2.153 137 E HA -0.154 4.199 4.350 0.004 0.000 0.194 137 E C 1.385 177.908 176.600 -0.130 0.000 0.988 137 E CA 1.131 57.372 56.400 -0.266 0.000 0.811 137 E CB -0.058 29.477 29.700 -0.276 0.000 0.746 137 E HN 0.467 nan 8.360 nan 0.000 0.466 138 A N 0.023 122.794 122.820 -0.082 0.000 2.235 138 A HA 0.183 4.505 4.320 0.004 0.000 0.208 138 A C 1.669 179.222 177.584 -0.051 0.000 1.172 138 A CA 0.945 52.952 52.037 -0.049 0.000 0.786 138 A CB -0.521 18.468 19.000 -0.018 0.000 0.804 138 A HN 0.490 nan 8.150 nan 0.000 0.479 139 G N -1.400 107.361 108.800 -0.065 0.000 2.137 139 G HA2 -0.197 3.766 3.960 0.004 0.000 0.237 139 G HA3 -0.197 3.766 3.960 0.004 0.000 0.237 139 G C 0.022 174.896 174.900 -0.044 0.000 1.002 139 G CA 0.341 45.408 45.100 -0.055 0.000 0.702 139 G HN 0.431 nan 8.290 nan 0.000 0.515 140 L N -0.210 120.987 121.223 -0.042 0.000 2.387 140 L HA 0.552 4.895 4.340 0.004 0.000 0.266 140 L C 0.893 177.735 176.870 -0.047 0.000 1.059 140 L CA -0.894 53.919 54.840 -0.046 0.000 0.801 140 L CB 1.172 43.204 42.059 -0.046 0.000 1.223 140 L HN 0.296 nan 8.230 nan 0.000 0.456 141 E N 1.088 121.246 120.200 -0.071 0.000 2.257 141 E HA 0.313 4.665 4.350 0.004 0.000 0.278 141 E C -1.468 175.051 176.600 -0.136 0.000 1.049 141 E CA -0.448 55.913 56.400 -0.065 0.000 0.876 141 E CB 1.049 30.699 29.700 -0.083 0.000 1.035 141 E HN 0.281 nan 8.360 nan 0.000 0.419 142 V N 5.578 125.482 119.914 -0.017 0.000 2.555 142 V HA 0.397 4.519 4.120 0.004 0.000 0.302 142 V C -0.620 175.615 176.094 0.235 0.000 1.038 142 V CA -0.863 61.446 62.300 0.014 0.000 0.887 142 V CB 1.036 32.902 31.823 0.072 0.000 0.991 142 V HN 0.655 nan 8.190 nan 0.000 0.434 143 W N 3.342 124.672 121.300 0.051 0.000 2.706 143 W HA 0.820 5.480 4.660 -0.000 0.000 0.346 143 W C -0.417 176.141 176.519 0.065 0.000 1.071 143 W CA -1.139 56.238 57.345 0.053 0.000 1.206 143 W CB 1.716 31.207 29.460 0.052 0.000 1.413 143 W HN 0.518 nan 8.180 nan 0.000 0.542 144 V N -0.127 119.966 119.914 0.298 0.000 2.925 144 V HA 0.811 4.933 4.120 0.004 0.000 0.311 144 V C -1.850 174.384 176.094 0.234 0.000 1.104 144 V CA -1.175 61.249 62.300 0.207 0.000 0.954 144 V CB 2.427 34.306 31.823 0.094 0.000 1.022 144 V HN 0.692 nan 8.190 nan 0.000 0.427 145 W N 3.294 124.606 121.300 0.019 0.000 3.107 145 W HA 0.824 5.486 4.660 0.003 0.000 0.331 145 W C -1.355 175.150 176.519 -0.024 0.000 1.204 145 W CA -0.346 56.995 57.345 -0.006 0.000 1.184 145 W CB 2.048 31.510 29.460 0.003 0.000 1.421 145 W HN 0.969 nan 8.180 nan 0.000 0.544 146 N N 1.700 119.651 118.700 -1.248 0.000 2.405 146 N HA 0.254 4.996 4.740 0.004 0.000 0.274 146 N C 0.793 175.305 175.510 -1.663 0.000 1.170 146 N CA -0.516 51.826 53.050 -1.180 0.000 0.848 146 N CB 1.635 39.795 38.487 -0.544 0.000 1.629 146 N HN 0.545 nan 8.380 nan 0.000 0.481 147 R N 0.068 119.849 120.500 -1.198 0.000 2.139 147 R HA -0.023 4.319 4.340 0.004 0.000 0.243 147 R C -0.335 175.725 176.300 -0.401 0.000 1.145 147 R CA 1.170 56.886 56.100 -0.639 0.000 0.976 147 R CB -0.639 29.530 30.300 -0.218 0.000 0.866 147 R HN 0.377 nan 8.270 nan 0.000 0.449 148 T N 3.467 117.795 114.554 -0.376 0.000 2.801 148 T HA 0.201 4.553 4.350 0.004 0.000 0.306 148 T C -1.859 172.671 174.700 -0.283 0.000 1.020 148 T CA -1.764 60.188 62.100 -0.246 0.000 0.948 148 T CB 1.973 70.737 68.868 -0.174 0.000 0.962 148 T HN 0.093 nan 8.240 nan 0.000 0.465 149 P HA -0.244 nan 4.420 nan 0.000 0.216 149 P C 1.440 178.641 177.300 -0.166 0.000 1.154 149 P CA 1.205 64.177 63.100 -0.214 0.000 0.865 149 P CB 0.473 32.095 31.700 -0.131 0.000 0.789 150 Q N 0.312 120.031 119.800 -0.134 0.000 2.181 150 Q HA -0.172 4.171 4.340 0.004 0.000 0.205 150 Q C 2.480 178.405 176.000 -0.125 0.000 0.980 150 Q CA 1.676 57.413 55.803 -0.111 0.000 0.862 150 Q CB -0.805 27.878 28.738 -0.091 0.000 0.905 150 Q HN 0.119 nan 8.270 nan 0.000 0.429 151 R N -1.107 119.302 120.500 -0.152 0.000 2.092 151 R HA -0.014 4.328 4.340 0.004 0.000 0.231 151 R C 1.988 178.187 176.300 -0.168 0.000 1.119 151 R CA 1.249 57.255 56.100 -0.156 0.000 0.970 151 R CB -0.309 29.889 30.300 -0.169 0.000 0.864 151 R HN 0.329 nan 8.270 nan 0.000 0.440 152 A N 0.364 123.073 122.820 -0.184 0.000 1.929 152 A HA -0.060 4.263 4.320 0.004 0.000 0.216 152 A C 2.071 179.584 177.584 -0.119 0.000 1.176 152 A CA 0.789 52.733 52.037 -0.156 0.000 0.628 152 A CB -0.382 18.512 19.000 -0.176 0.000 0.816 152 A HN 0.301 nan 8.150 nan 0.000 0.444 153 L N -0.705 120.450 121.223 -0.113 0.000 2.017 153 L HA -0.194 4.148 4.340 0.004 0.000 0.208 153 L C 3.130 179.945 176.870 -0.093 0.000 1.073 153 L CA 1.087 55.876 54.840 -0.085 0.000 0.745 153 L CB -0.477 41.537 42.059 -0.076 0.000 0.894 153 L HN 0.446 nan 8.230 nan 0.000 0.432 154 A N -0.148 122.605 122.820 -0.110 0.000 1.883 154 A HA -0.270 4.052 4.320 0.004 0.000 0.217 154 A C 2.162 179.644 177.584 -0.171 0.000 1.186 154 A CA 2.006 53.972 52.037 -0.119 0.000 0.624 154 A CB -0.789 18.138 19.000 -0.121 0.000 0.822 154 A HN 0.358 nan 8.150 nan 0.000 0.444 155 L N -0.259 120.828 121.223 -0.226 0.000 1.994 155 L HA -0.045 4.297 4.340 0.004 0.000 0.208 155 L C 2.672 179.370 176.870 -0.286 0.000 1.071 155 L CA 2.395 57.004 54.840 -0.384 0.000 0.745 155 L CB -1.019 40.834 42.059 -0.343 0.000 0.892 155 L HN 0.340 nan 8.230 nan 0.000 0.431 156 A N -0.717 122.028 122.820 -0.126 0.000 1.908 156 A HA -0.232 4.091 4.320 0.004 0.000 0.218 156 A C 2.137 179.722 177.584 0.002 0.000 1.181 156 A CA 1.916 53.939 52.037 -0.023 0.000 0.627 156 A CB -0.660 18.340 19.000 0.000 0.000 0.818 156 A HN 0.659 nan 8.150 nan 0.000 0.445 157 E N -0.380 119.803 120.200 -0.029 0.000 2.106 157 E HA -0.174 4.178 4.350 0.004 0.000 0.192 157 E C 1.986 178.602 176.600 0.026 0.000 0.984 157 E CA 1.279 57.678 56.400 -0.003 0.000 0.806 157 E CB -0.175 29.512 29.700 -0.021 0.000 0.750 157 E HN 0.756 nan 8.360 nan 0.000 0.458 158 E N 0.015 120.213 120.200 -0.003 0.000 2.072 158 E HA -0.111 4.241 4.350 0.004 0.000 0.191 158 E C 1.403 178.196 176.600 0.321 0.000 0.985 158 E CA 0.792 57.244 56.400 0.086 0.000 0.801 158 E CB 0.044 29.737 29.700 -0.013 0.000 0.750 158 E HN 0.182 nan 8.360 nan 0.000 0.452 159 F N -0.525 119.438 119.950 0.023 0.000 2.776 159 F HA 0.300 4.827 4.527 -0.001 0.000 0.300 159 F C 1.404 177.206 175.800 0.003 0.000 1.116 159 F CA 0.516 58.526 58.000 0.017 0.000 1.375 159 F CB 0.180 39.195 39.000 0.025 0.000 1.109 159 F HN 0.035 nan 8.300 nan 0.000 0.585 160 G N 1.429 110.343 108.800 0.189 0.000 2.248 160 G HA2 -0.255 3.708 3.960 0.004 0.000 0.263 160 G HA3 -0.255 3.708 3.960 0.004 0.000 0.263 160 G C 0.036 175.005 174.900 0.114 0.000 1.082 160 G CA 0.348 45.515 45.100 0.112 0.000 0.863 160 G HN 0.302 nan 8.290 nan 0.000 0.495 161 L N -1.682 119.619 121.223 0.129 0.000 2.664 161 L HA 0.806 5.149 4.340 0.004 0.000 0.253 161 L C 0.942 177.887 176.870 0.125 0.000 1.293 161 L CA -1.407 53.520 54.840 0.144 0.000 1.280 161 L CB 0.953 43.114 42.059 0.169 0.000 1.993 161 L HN 0.165 nan 8.230 nan 0.000 0.577 162 R N 0.319 120.920 120.500 0.168 0.000 2.476 162 R HA 0.652 4.995 4.340 0.004 0.000 0.305 162 R C -1.319 175.013 176.300 0.053 0.000 0.965 162 R CA -0.484 55.668 56.100 0.088 0.000 0.867 162 R CB 1.799 32.138 30.300 0.066 0.000 1.176 162 R HN 0.699 nan 8.270 nan 0.000 0.447 163 A N 4.196 127.014 122.820 -0.003 0.000 2.328 163 A HA 0.524 4.846 4.320 0.004 0.000 0.284 163 A C -0.208 177.351 177.584 -0.042 0.000 1.160 163 A CA -0.484 51.552 52.037 -0.000 0.000 0.818 163 A CB 0.777 19.763 19.000 -0.024 0.000 1.087 163 A HN 0.601 nan 8.150 nan 0.000 0.504 164 V N 0.187 120.107 119.914 0.009 0.000 3.040 164 V HA 0.847 4.970 4.120 0.004 0.000 0.312 164 V C -2.849 173.319 176.094 0.124 0.000 1.115 164 V CA -2.362 59.910 62.300 -0.048 0.000 0.998 164 V CB 1.887 33.571 31.823 -0.232 0.000 1.042 164 V HN 0.747 nan 8.190 nan 0.000 0.433 165 P HA 0.234 nan 4.420 nan 0.000 0.276 165 P C 0.634 177.939 177.300 0.008 0.000 1.244 165 P CA -0.365 62.812 63.100 0.129 0.000 0.801 165 P CB 1.521 33.241 31.700 0.033 0.000 1.006 166 L N 1.886 123.006 121.223 -0.172 0.000 2.129 166 L HA -0.201 4.141 4.340 0.004 0.000 0.212 166 L C 2.226 178.923 176.870 -0.288 0.000 1.087 166 L CA 1.885 56.390 54.840 -0.559 0.000 0.757 166 L CB -1.174 40.367 42.059 -0.865 0.000 0.896 166 L HN 0.492 nan 8.230 nan 0.000 0.434 167 E N -1.171 118.935 120.200 -0.157 0.000 2.409 167 E HA -0.228 4.125 4.350 0.004 0.000 0.198 167 E C 1.368 177.933 176.600 -0.059 0.000 1.024 167 E CA 0.679 57.021 56.400 -0.097 0.000 0.861 167 E CB -0.379 29.286 29.700 -0.059 0.000 0.788 167 E HN 0.429 nan 8.360 nan 0.000 0.521 168 K N 0.681 121.043 120.400 -0.063 0.000 2.515 168 K HA 0.087 4.410 4.320 0.004 0.000 0.196 168 K C 1.860 178.545 176.600 0.141 0.000 1.038 168 K CA 0.750 57.029 56.287 -0.012 0.000 0.967 168 K CB -0.170 32.225 32.500 -0.175 0.000 0.780 168 K HN 0.258 nan 8.250 nan 0.000 0.483 169 A N 1.237 124.082 122.820 0.041 0.000 2.019 169 A HA -0.168 4.155 4.320 0.004 0.000 0.219 169 A C 2.050 179.666 177.584 0.052 0.000 1.164 169 A CA 1.077 53.134 52.037 0.035 0.000 0.644 169 A CB -0.302 18.619 19.000 -0.132 0.000 0.805 169 A HN 0.271 nan 8.150 nan 0.000 0.449 170 R N -0.433 120.098 120.500 0.051 0.000 2.237 170 R HA -0.071 4.272 4.340 0.004 0.000 0.219 170 R C 1.095 177.455 176.300 0.100 0.000 1.080 170 R CA 1.363 57.502 56.100 0.064 0.000 0.995 170 R CB -0.096 30.233 30.300 0.049 0.000 0.875 170 R HN 0.656 nan 8.270 nan 0.000 0.462 171 E N -0.107 120.196 120.200 0.173 0.000 2.481 171 E HA 0.171 4.524 4.350 0.004 0.000 0.198 171 E C -0.233 176.469 176.600 0.170 0.000 1.027 171 E CA -0.331 56.200 56.400 0.218 0.000 0.900 171 E CB 0.912 30.810 29.700 0.331 0.000 0.993 171 E HN 0.214 nan 8.360 nan 0.000 0.482 172 A N 0.993 123.884 122.820 0.118 0.000 2.322 172 A HA 0.310 4.632 4.320 0.004 0.000 0.269 172 A C 0.944 178.486 177.584 -0.070 0.000 1.094 172 A CA -0.347 51.632 52.037 -0.096 0.000 0.807 172 A CB 0.626 19.608 19.000 -0.031 0.000 1.047 172 A HN 0.005 nan 8.150 nan 0.000 0.487 173 R N -0.557 119.868 120.500 -0.125 0.000 2.279 173 R HA 0.202 4.545 4.340 0.004 0.000 0.195 173 R C -0.804 175.477 176.300 -0.030 0.000 0.905 173 R CA 0.274 56.337 56.100 -0.063 0.000 1.044 173 R CB -0.179 30.074 30.300 -0.078 0.000 1.056 173 R HN 0.551 nan 8.270 nan 0.000 0.535 174 L N 1.100 122.299 121.223 -0.040 0.000 2.406 174 L HA 0.489 4.832 4.340 0.004 0.000 0.272 174 L C -1.716 175.185 176.870 0.052 0.000 0.980 174 L CA -1.001 53.853 54.840 0.023 0.000 0.831 174 L CB 1.784 43.858 42.059 0.026 0.000 1.253 174 L HN -0.174 nan 8.230 nan 0.000 0.406 175 L N 6.111 127.405 121.223 0.118 0.000 2.333 175 L HA 0.786 5.128 4.340 0.004 0.000 0.280 175 L C -1.336 175.698 176.870 0.275 0.000 1.004 175 L CA -0.347 54.594 54.840 0.169 0.000 0.820 175 L CB 1.999 44.153 42.059 0.158 0.000 1.247 175 L HN 0.402 nan 8.230 nan 0.000 0.416 176 V N 4.430 124.467 119.914 0.203 0.000 2.444 176 V HA 0.429 4.552 4.120 0.004 0.000 0.294 176 V C -0.376 175.718 176.094 0.000 0.000 1.022 176 V CA -0.779 61.623 62.300 0.170 0.000 0.850 176 V CB 1.670 33.563 31.823 0.117 0.000 0.992 176 V HN 0.805 nan 8.190 nan 0.000 0.426 177 N N 3.832 122.419 118.700 -0.188 0.000 2.406 177 N HA 0.471 5.214 4.740 0.004 0.000 0.251 177 N C 0.277 175.672 175.510 -0.192 0.000 1.069 177 N CA 0.110 52.908 53.050 -0.421 0.000 0.947 177 N CB 1.589 39.477 38.487 -0.998 0.000 1.111 177 N HN 0.807 nan 8.380 nan 0.000 0.497 178 A N 2.554 125.305 122.820 -0.116 0.000 2.594 178 A HA 0.209 4.532 4.320 0.004 0.000 0.287 178 A C 0.604 178.152 177.584 -0.059 0.000 1.227 178 A CA -0.246 51.746 52.037 -0.074 0.000 0.952 178 A CB -0.577 18.383 19.000 -0.066 0.000 1.161 178 A HN 0.668 nan 8.150 nan 0.000 0.524 179 T N -3.547 110.965 114.554 -0.070 0.000 2.923 179 T HA 0.459 4.812 4.350 0.004 0.000 0.281 179 T C 0.551 175.215 174.700 -0.059 0.000 0.995 179 T CA -0.667 61.410 62.100 -0.039 0.000 0.985 179 T CB 1.071 69.944 68.868 0.009 0.000 1.114 179 T HN 0.198 nan 8.240 nan 0.000 0.548 180 R N 0.005 120.479 120.500 -0.043 0.000 2.359 180 R HA 0.268 4.611 4.340 0.004 0.000 0.231 180 R C -0.091 176.185 176.300 -0.040 0.000 0.913 180 R CA -0.207 55.861 56.100 -0.053 0.000 1.075 180 R CB 0.139 30.410 30.300 -0.049 0.000 1.087 180 R HN 0.425 nan 8.270 nan 0.000 0.515 181 V N 0.905 120.804 119.914 -0.025 0.000 2.529 181 V HA 0.129 4.252 4.120 0.004 0.000 0.292 181 V C 1.379 177.469 176.094 -0.007 0.000 1.028 181 V CA 1.327 63.626 62.300 -0.001 0.000 1.074 181 V CB 0.904 32.742 31.823 0.026 0.000 0.958 181 V HN 0.742 nan 8.190 nan 0.000 0.481 182 G N 4.114 112.921 108.800 0.013 0.000 2.238 182 G HA2 -0.194 3.768 3.960 0.004 0.000 0.217 182 G HA3 -0.194 3.768 3.960 0.004 0.000 0.217 182 G C -0.064 174.837 174.900 0.003 0.000 0.996 182 G CA -0.027 45.090 45.100 0.029 0.000 0.632 182 G HN 0.792 nan 8.290 nan 0.000 0.503 183 L N 2.326 123.531 121.223 -0.030 0.000 2.534 183 L HA 0.446 4.789 4.340 0.004 0.000 0.271 183 L C 1.224 178.072 176.870 -0.038 0.000 1.178 183 L CA 0.961 55.766 54.840 -0.058 0.000 0.907 183 L CB -0.358 41.651 42.059 -0.084 0.000 1.164 183 L HN 0.392 nan 8.230 nan 0.000 0.482 184 E N 2.468 122.650 120.200 -0.030 0.000 2.403 184 E HA -0.287 4.065 4.350 0.004 0.000 0.241 184 E C -0.414 176.189 176.600 0.004 0.000 1.201 184 E CA 1.022 57.414 56.400 -0.013 0.000 0.721 184 E CB -1.303 28.373 29.700 -0.039 0.000 1.245 184 E HN 0.747 nan 8.360 nan 0.000 0.392 185 D N -1.035 119.376 120.400 0.018 0.000 2.411 185 D HA 0.235 4.878 4.640 0.004 0.000 0.239 185 D C -2.181 174.149 176.300 0.049 0.000 1.307 185 D CA -1.964 52.054 54.000 0.029 0.000 0.930 185 D CB 1.133 41.947 40.800 0.023 0.000 1.395 185 D HN -0.244 nan 8.370 nan 0.000 0.536 186 P HA -0.087 nan 4.420 nan 0.000 0.226 186 P C 1.151 178.493 177.300 0.071 0.000 1.146 186 P CA 0.813 63.956 63.100 0.073 0.000 0.773 186 P CB 0.306 32.048 31.700 0.069 0.000 0.772 187 S N -2.086 113.649 115.700 0.059 0.000 2.548 187 S HA 0.316 4.789 4.470 0.004 0.000 0.215 187 S C 0.865 175.504 174.600 0.065 0.000 0.976 187 S CA -0.160 58.073 58.200 0.056 0.000 0.908 187 S CB -0.323 62.903 63.200 0.043 0.000 0.781 187 S HN 0.039 nan 8.310 nan 0.000 0.519 188 A N 0.882 123.745 122.820 0.072 0.000 2.337 188 A HA 0.789 5.112 4.320 0.004 0.000 0.329 188 A C -0.238 177.413 177.584 0.112 0.000 1.146 188 A CA -0.600 51.485 52.037 0.080 0.000 0.800 188 A CB 1.702 20.737 19.000 0.059 0.000 1.220 188 A HN 0.414 nan 8.150 nan 0.000 0.472 189 S N 2.069 117.848 115.700 0.132 0.000 2.540 189 S HA 0.683 5.156 4.470 0.004 0.000 0.275 189 S C -2.235 172.454 174.600 0.149 0.000 1.123 189 S CA -1.051 57.267 58.200 0.197 0.000 0.907 189 S CB 1.812 65.188 63.200 0.294 0.000 1.081 189 S HN 0.494 nan 8.310 nan 0.000 0.476 190 P HA 0.145 nan 4.420 nan 0.000 0.233 190 P C -0.110 177.180 177.300 -0.017 0.000 1.167 190 P CA 0.287 63.414 63.100 0.045 0.000 0.770 190 P CB 0.077 31.764 31.700 -0.021 0.000 0.837 191 L N 0.535 121.799 121.223 0.067 0.000 2.409 191 L HA 0.581 4.924 4.340 0.004 0.000 0.272 191 L C -2.825 174.119 176.870 0.123 0.000 0.980 191 L CA -2.633 52.182 54.840 -0.041 0.000 0.826 191 L CB 2.133 44.038 42.059 -0.257 0.000 1.268 191 L HN -0.334 nan 8.230 nan 0.000 0.407 192 P HA 0.143 nan 4.420 nan 0.000 0.268 192 P C 0.120 177.572 177.300 0.253 0.000 1.205 192 P CA 0.103 63.277 63.100 0.123 0.000 0.771 192 P CB 0.967 32.696 31.700 0.049 0.000 0.858 193 A N 4.112 127.082 122.820 0.250 0.000 1.958 193 A HA -0.264 4.059 4.320 0.004 0.000 0.221 193 A C 1.752 179.487 177.584 0.251 0.000 1.178 193 A CA 2.116 54.294 52.037 0.235 0.000 0.642 193 A CB -1.176 17.838 19.000 0.024 0.000 0.816 193 A HN 0.746 nan 8.150 nan 0.000 0.453 194 E N -0.188 120.099 120.200 0.145 0.000 2.472 194 E HA 0.001 4.353 4.350 0.004 0.000 0.200 194 E C 1.289 177.953 176.600 0.107 0.000 1.046 194 E CA 0.697 57.158 56.400 0.102 0.000 0.871 194 E CB -0.305 29.428 29.700 0.054 0.000 0.806 194 E HN 0.630 nan 8.360 nan 0.000 0.533 195 L N 0.133 121.431 121.223 0.126 0.000 2.607 195 L HA 0.255 4.598 4.340 0.004 0.000 0.228 195 L C 0.116 176.993 176.870 0.013 0.000 1.123 195 L CA -0.499 54.355 54.840 0.025 0.000 0.890 195 L CB 0.030 42.042 42.059 -0.078 0.000 1.103 195 L HN 0.044 nan 8.230 nan 0.000 0.468 196 F N 2.092 122.030 119.950 -0.021 0.000 2.459 196 F HA 0.201 4.731 4.527 0.005 0.000 0.346 196 F C -1.486 174.306 175.800 -0.014 0.000 1.128 196 F CA -2.082 55.902 58.000 -0.027 0.000 1.268 196 F CB -0.009 38.953 39.000 -0.064 0.000 1.161 196 F HN -0.155 nan 8.300 nan 0.000 0.583 197 P HA 0.068 nan 4.420 nan 0.000 0.277 197 P C -0.322 177.037 177.300 0.099 0.000 1.240 197 P CA -0.235 62.926 63.100 0.102 0.000 0.798 197 P CB 1.016 32.759 31.700 0.072 0.000 0.979 198 E N 0.313 120.550 120.200 0.062 0.000 2.481 198 E HA -0.025 4.327 4.350 0.004 0.000 0.195 198 E C 0.548 177.165 176.600 0.028 0.000 1.047 198 E CA 0.745 57.169 56.400 0.039 0.000 0.867 198 E CB 0.341 30.057 29.700 0.027 0.000 0.858 198 E HN 0.666 nan 8.360 nan 0.000 0.513 199 E N -1.454 118.766 120.200 0.033 0.000 2.372 199 E HA 0.556 4.908 4.350 0.004 0.000 0.279 199 E C 0.131 176.746 176.600 0.025 0.000 0.946 199 E CA -0.616 55.798 56.400 0.023 0.000 0.769 199 E CB 2.051 31.760 29.700 0.014 0.000 1.230 199 E HN -0.052 nan 8.360 nan 0.000 0.442 200 G N 0.602 109.414 108.800 0.020 0.000 2.236 200 G HA2 0.435 4.398 3.960 0.004 0.000 0.231 200 G HA3 0.435 4.398 3.960 0.004 0.000 0.231 200 G C -1.274 173.644 174.900 0.030 0.000 1.334 200 G CA -0.171 44.941 45.100 0.019 0.000 1.137 200 G HN 1.267 nan 8.290 nan 0.000 0.482 201 A N -1.112 121.733 122.820 0.041 0.000 2.515 201 A HA 1.125 5.448 4.320 0.004 0.000 0.296 201 A C -0.153 177.489 177.584 0.095 0.000 1.094 201 A CA 0.514 52.586 52.037 0.059 0.000 0.718 201 A CB 1.435 20.463 19.000 0.047 0.000 1.307 201 A HN 2.592 nan 8.150 nan 0.000 0.408 202 A N 0.206 123.099 122.820 0.122 0.000 2.449 202 A HA 0.742 5.064 4.320 0.004 0.000 0.302 202 A C -1.335 176.403 177.584 0.256 0.000 1.048 202 A CA -0.470 51.686 52.037 0.198 0.000 0.708 202 A CB 1.538 20.598 19.000 0.099 0.000 1.274 202 A HN 1.500 nan 8.150 nan 0.000 0.410 203 V N 1.824 121.954 119.914 0.361 0.000 2.709 203 V HA 0.527 4.649 4.120 0.004 0.000 0.308 203 V C -1.254 175.056 176.094 0.360 0.000 1.062 203 V CA -0.598 61.891 62.300 0.315 0.000 0.901 203 V CB 2.080 34.081 31.823 0.297 0.000 1.003 203 V HN 0.930 nan 8.190 nan 0.000 0.425 204 D N 2.757 123.319 120.400 0.271 0.000 2.391 204 D HA 0.462 5.104 4.640 0.004 0.000 0.245 204 D C 0.646 177.012 176.300 0.110 0.000 1.069 204 D CA -0.422 53.669 54.000 0.151 0.000 0.831 204 D CB 2.191 43.118 40.800 0.211 0.000 1.204 204 D HN 0.382 nan 8.370 nan 0.000 0.503 205 L N 2.020 123.283 121.223 0.066 0.000 2.313 205 L HA 0.100 4.443 4.340 0.004 0.000 0.214 205 L C 0.855 177.764 176.870 0.066 0.000 1.119 205 L CA 0.339 55.241 54.840 0.103 0.000 0.809 205 L CB 0.021 42.120 42.059 0.066 0.000 0.933 205 L HN 0.179 nan 8.230 nan 0.000 0.449 206 V N 0.873 120.771 119.914 -0.026 0.000 2.521 206 V HA -0.118 4.004 4.120 0.004 0.000 0.286 206 V C 0.410 176.470 176.094 -0.056 0.000 1.034 206 V CA 0.129 62.354 62.300 -0.125 0.000 1.045 206 V CB 0.386 32.149 31.823 -0.101 0.000 0.974 206 V HN 0.333 nan 8.190 nan 0.000 0.480 207 Y N 2.823 123.114 120.300 -0.015 0.000 2.682 207 Y HA 0.584 5.136 4.550 0.004 0.000 0.251 207 Y C 0.525 176.414 175.900 -0.019 0.000 1.172 207 Y CA -1.027 57.047 58.100 -0.043 0.000 1.186 207 Y CB 0.099 38.532 38.460 -0.045 0.000 1.216 207 Y HN 0.392 nan 8.280 nan 0.000 0.540 208 R N 3.085 123.533 120.500 -0.087 0.000 2.545 208 R HA 0.341 4.684 4.340 0.004 0.000 0.289 208 R C -3.028 173.266 176.300 -0.009 0.000 1.327 208 R CA -1.835 54.262 56.100 -0.005 0.000 1.040 208 R CB 1.791 32.065 30.300 -0.043 0.000 1.176 208 R HN 0.064 nan 8.270 nan 0.000 0.518 209 P HA -0.027 nan 4.420 nan 0.000 0.272 209 P C 0.482 177.818 177.300 0.061 0.000 1.240 209 P CA -0.457 62.689 63.100 0.077 0.000 0.791 209 P CB 1.032 32.792 31.700 0.101 0.000 0.978 210 L N 1.299 122.553 121.223 0.052 0.000 1.994 210 L HA 0.027 4.369 4.340 0.004 0.000 0.208 210 L C 0.758 177.442 176.870 -0.309 0.000 1.071 210 L CA 1.519 56.295 54.840 -0.106 0.000 0.745 210 L CB -1.116 40.868 42.059 -0.126 0.000 0.892 210 L HN 0.356 nan 8.230 nan 0.000 0.431 211 W N 1.324 122.681 121.300 0.095 0.000 2.228 211 W HA 0.360 5.023 4.660 0.005 0.000 0.364 211 W C 0.675 177.250 176.519 0.093 0.000 0.917 211 W CA -0.498 56.900 57.345 0.088 0.000 1.513 211 W CB -0.280 29.215 29.460 0.059 0.000 1.494 211 W HN 0.102 nan 8.180 nan 0.000 0.346 212 T N -1.937 112.748 114.554 0.218 0.000 2.748 212 T HA 0.071 4.424 4.350 0.004 0.000 0.304 212 T C 1.492 176.339 174.700 0.245 0.000 1.041 212 T CA -0.364 61.859 62.100 0.205 0.000 1.033 212 T CB 1.288 70.270 68.868 0.190 0.000 0.995 212 T HN 0.529 nan 8.240 nan 0.000 0.536 213 R N -0.129 120.496 120.500 0.208 0.000 2.083 213 R HA -0.100 4.243 4.340 0.004 0.000 0.237 213 R C 2.208 178.650 176.300 0.237 0.000 1.137 213 R CA 1.570 57.781 56.100 0.185 0.000 0.951 213 R CB -0.610 29.784 30.300 0.156 0.000 0.851 213 R HN 0.749 nan 8.270 nan 0.000 0.434 214 F N 1.228 121.276 119.950 0.164 0.000 2.091 214 F HA -0.239 4.290 4.527 0.004 0.000 0.299 214 F C 1.790 177.736 175.800 0.244 0.000 1.103 214 F CA 1.723 59.880 58.000 0.261 0.000 1.228 214 F CB -0.264 38.870 39.000 0.222 0.000 0.984 214 F HN 0.018 nan 8.300 nan 0.000 0.477 215 L N -0.249 121.171 121.223 0.328 0.000 2.093 215 L HA -0.157 4.185 4.340 0.004 0.000 0.208 215 L C 2.638 179.608 176.870 0.168 0.000 1.085 215 L CA 1.266 56.246 54.840 0.234 0.000 0.755 215 L CB -0.557 41.722 42.059 0.366 0.000 0.904 215 L HN 0.068 nan 8.230 nan 0.000 0.435 216 R N -0.088 120.518 120.500 0.175 0.000 2.092 216 R HA -0.154 4.188 4.340 0.004 0.000 0.231 216 R C 2.144 178.382 176.300 -0.103 0.000 1.119 216 R CA 1.245 57.381 56.100 0.060 0.000 0.970 216 R CB -0.165 30.178 30.300 0.072 0.000 0.864 216 R HN 0.426 nan 8.270 nan 0.000 0.440 217 E N 0.378 120.456 120.200 -0.203 0.000 2.072 217 E HA -0.154 4.199 4.350 0.004 0.000 0.191 217 E C 2.065 178.258 176.600 -0.678 0.000 0.985 217 E CA 1.114 57.222 56.400 -0.485 0.000 0.801 217 E CB -0.080 29.199 29.700 -0.702 0.000 0.750 217 E HN 0.356 nan 8.360 nan 0.000 0.452 218 A N 1.662 124.119 122.820 -0.605 0.000 1.877 218 A HA -0.244 4.079 4.320 0.004 0.000 0.216 218 A C 2.063 179.535 177.584 -0.188 0.000 1.186 218 A CA 1.764 53.573 52.037 -0.381 0.000 0.620 218 A CB -0.381 18.501 19.000 -0.196 0.000 0.822 218 A HN 0.071 nan 8.150 nan 0.000 0.443 219 K N -0.329 120.004 120.400 -0.112 0.000 2.026 219 K HA -0.056 4.267 4.320 0.004 0.000 0.208 219 K C 2.047 178.582 176.600 -0.108 0.000 1.048 219 K CA 1.262 57.509 56.287 -0.067 0.000 0.929 219 K CB -0.338 32.137 32.500 -0.041 0.000 0.713 219 K HN 0.348 nan 8.250 nan 0.000 0.439 220 A N 0.746 123.478 122.820 -0.147 0.000 2.070 220 A HA -0.135 4.188 4.320 0.004 0.000 0.220 220 A C 1.896 179.396 177.584 -0.140 0.000 1.159 220 A CA 1.552 53.506 52.037 -0.139 0.000 0.656 220 A CB -0.290 18.621 19.000 -0.148 0.000 0.800 220 A HN 0.241 nan 8.150 nan 0.000 0.453 221 K N -0.953 119.338 120.400 -0.182 0.000 2.418 221 K HA 0.168 4.491 4.320 0.004 0.000 0.195 221 K C 0.874 177.429 176.600 -0.075 0.000 1.035 221 K CA 0.902 57.100 56.287 -0.148 0.000 1.003 221 K CB -0.241 32.133 32.500 -0.211 0.000 0.793 221 K HN 0.804 nan 8.250 nan 0.000 0.494 222 G N 0.355 109.115 108.800 -0.067 0.000 2.167 222 G HA2 -0.181 3.782 3.960 0.004 0.000 0.194 222 G HA3 -0.181 3.782 3.960 0.004 0.000 0.194 222 G C -0.464 174.426 174.900 -0.016 0.000 1.027 222 G CA 0.046 45.125 45.100 -0.036 0.000 0.717 222 G HN 0.150 nan 8.290 nan 0.000 0.501 223 L N -0.365 120.849 121.223 -0.015 0.000 2.334 223 L HA 0.587 4.929 4.340 0.004 0.000 0.273 223 L C 0.750 177.633 176.870 0.021 0.000 1.013 223 L CA -1.124 53.724 54.840 0.013 0.000 0.816 223 L CB 1.768 43.847 42.059 0.034 0.000 1.278 223 L HN 0.121 nan 8.230 nan 0.000 0.431 224 K N 1.804 122.223 120.400 0.033 0.000 2.270 224 K HA 0.492 4.815 4.320 0.004 0.000 0.276 224 K C -0.816 175.829 176.600 0.074 0.000 1.023 224 K CA -0.420 55.894 56.287 0.044 0.000 0.955 224 K CB 1.186 33.706 32.500 0.033 0.000 0.975 224 K HN 0.476 nan 8.250 nan 0.000 0.471 225 V N 0.382 120.361 119.914 0.108 0.000 3.040 225 V HA 0.565 4.688 4.120 0.004 0.000 0.312 225 V C -1.354 174.833 176.094 0.154 0.000 1.115 225 V CA -0.940 61.452 62.300 0.153 0.000 0.998 225 V CB 1.746 33.709 31.823 0.233 0.000 1.042 225 V HN 0.927 nan 8.190 nan 0.000 0.433 226 Q N 1.268 121.144 119.800 0.126 0.000 2.289 226 Q HA 0.568 4.911 4.340 0.004 0.000 0.270 226 Q C -0.300 175.702 176.000 0.004 0.000 1.038 226 Q CA -0.322 55.520 55.803 0.064 0.000 0.812 226 Q CB 2.469 31.230 28.738 0.038 0.000 1.300 226 Q HN 1.195 nan 8.270 nan 0.000 0.427 227 T N -0.402 114.076 114.554 -0.126 0.000 2.732 227 T HA 0.358 4.711 4.350 0.004 0.000 0.287 227 T C 1.072 175.747 174.700 -0.042 0.000 0.993 227 T CA 0.089 62.059 62.100 -0.217 0.000 0.966 227 T CB 0.743 69.354 68.868 -0.429 0.000 1.047 227 T HN 0.728 nan 8.240 nan 0.000 0.527 228 G N -0.737 108.072 108.800 0.014 0.000 2.920 228 G HA2 0.136 4.099 3.960 0.004 0.000 0.208 228 G HA3 0.136 4.099 3.960 0.004 0.000 0.208 228 G C 1.324 176.259 174.900 0.058 0.000 1.159 228 G CA -0.167 45.011 45.100 0.131 0.000 0.784 228 G HN 0.658 nan 8.290 nan 0.000 0.535 229 L N 0.429 121.616 121.223 -0.061 0.000 2.056 229 L HA -0.021 4.321 4.340 0.004 0.000 0.207 229 L C -0.006 176.822 176.870 -0.071 0.000 1.078 229 L CA 1.063 55.812 54.840 -0.152 0.000 0.749 229 L CB -1.130 40.827 42.059 -0.171 0.000 0.901 229 L HN 0.114 nan 8.230 nan 0.000 0.433 230 P HA -0.220 nan 4.420 nan 0.000 0.215 230 P C 1.871 179.271 177.300 0.166 0.000 1.153 230 P CA 1.568 64.715 63.100 0.078 0.000 0.853 230 P CB 0.005 31.751 31.700 0.078 0.000 0.788 231 M N -1.301 118.380 119.600 0.134 0.000 2.175 231 M HA -0.132 4.350 4.480 0.004 0.000 0.264 231 M C 1.860 178.263 176.300 0.171 0.000 1.063 231 M CA 1.598 57.014 55.300 0.193 0.000 1.119 231 M CB -0.636 32.107 32.600 0.238 0.000 1.377 231 M HN -0.130 nan 8.290 nan 0.000 0.415 232 L N 0.903 122.177 121.223 0.085 0.000 2.042 232 L HA -0.101 4.241 4.340 0.004 0.000 0.210 232 L C 2.447 179.310 176.870 -0.012 0.000 1.076 232 L CA 2.326 57.180 54.840 0.024 0.000 0.749 232 L CB -1.009 40.953 42.059 -0.161 0.000 0.893 232 L HN 0.340 nan 8.230 nan 0.000 0.432 233 A N -1.595 121.187 122.820 -0.064 0.000 1.898 233 A HA -0.219 4.103 4.320 0.004 0.000 0.216 233 A C 2.089 179.569 177.584 -0.172 0.000 1.181 233 A CA 1.671 53.605 52.037 -0.170 0.000 0.620 233 A CB -1.265 17.589 19.000 -0.244 0.000 0.819 233 A HN 0.647 nan 8.150 nan 0.000 0.442 234 W N 0.417 121.685 121.300 -0.053 0.000 2.409 234 W HA -0.147 4.517 4.660 0.006 0.000 0.299 234 W C 2.777 179.287 176.519 -0.015 0.000 1.203 234 W CA 1.533 58.857 57.345 -0.034 0.000 1.298 234 W CB -0.173 29.273 29.460 -0.023 0.000 1.127 234 W HN 0.613 nan 8.180 nan 0.000 0.528 235 Q N -0.285 119.663 119.800 0.246 0.000 2.170 235 Q HA -0.041 4.301 4.340 0.004 0.000 0.203 235 Q C 2.089 178.145 176.000 0.093 0.000 0.976 235 Q CA 2.151 58.055 55.803 0.168 0.000 0.858 235 Q CB -1.465 27.371 28.738 0.162 0.000 0.907 235 Q HN 0.167 nan 8.270 nan 0.000 0.433 236 G N 0.547 109.387 108.800 0.066 0.000 2.394 236 G HA2 -0.081 3.882 3.960 0.004 0.000 0.214 236 G HA3 -0.081 3.882 3.960 0.004 0.000 0.214 236 G C 1.592 176.490 174.900 -0.003 0.000 1.176 236 G CA 0.833 45.975 45.100 0.071 0.000 0.786 236 G HN 0.576 nan 8.290 nan 0.000 0.533 237 A N 0.642 123.390 122.820 -0.121 0.000 1.902 237 A HA 0.076 4.399 4.320 0.004 0.000 0.217 237 A C 2.425 179.993 177.584 -0.027 0.000 1.181 237 A CA 1.257 53.206 52.037 -0.147 0.000 0.623 237 A CB -0.420 18.372 19.000 -0.346 0.000 0.818 237 A HN 0.351 nan 8.150 nan 0.000 0.443 238 L N -0.967 120.268 121.223 0.020 0.000 2.093 238 L HA -0.176 4.167 4.340 0.004 0.000 0.208 238 L C 3.061 179.838 176.870 -0.155 0.000 1.085 238 L CA 0.962 55.811 54.840 0.014 0.000 0.755 238 L CB -0.523 41.590 42.059 0.091 0.000 0.904 238 L HN 0.451 nan 8.230 nan 0.000 0.435 239 A N -0.345 122.320 122.820 -0.258 0.000 1.898 239 A HA -0.234 4.089 4.320 0.004 0.000 0.216 239 A C 2.160 179.113 177.584 -1.051 0.000 1.181 239 A CA 1.162 52.769 52.037 -0.716 0.000 0.620 239 A CB -0.756 17.781 19.000 -0.772 0.000 0.819 239 A HN 0.362 nan 8.150 nan 0.000 0.442 240 F N 0.344 119.927 119.950 -0.612 0.000 2.171 240 F HA -0.159 4.371 4.527 0.004 0.000 0.300 240 F C 2.423 178.144 175.800 -0.132 0.000 1.090 240 F CA 1.976 59.821 58.000 -0.258 0.000 1.293 240 F CB -0.057 38.944 39.000 0.001 0.000 1.013 240 F HN 0.192 nan 8.300 nan 0.000 0.486 241 R N 0.291 120.828 120.500 0.061 0.000 2.092 241 R HA -0.122 4.220 4.340 0.004 0.000 0.231 241 R C 2.206 178.457 176.300 -0.082 0.000 1.119 241 R CA 1.382 57.511 56.100 0.048 0.000 0.970 241 R CB -0.358 29.965 30.300 0.039 0.000 0.864 241 R HN 0.373 nan 8.270 nan 0.000 0.440 242 L N -0.567 120.499 121.223 -0.260 0.000 2.046 242 L HA -0.218 4.124 4.340 0.004 0.000 0.208 242 L C 2.280 179.070 176.870 -0.133 0.000 1.077 242 L CA 1.149 55.791 54.840 -0.330 0.000 0.747 242 L CB -0.547 41.145 42.059 -0.612 0.000 0.896 242 L HN 0.360 nan 8.230 nan 0.000 0.432 243 W N 0.039 121.260 121.300 -0.132 0.000 2.418 243 W HA -0.086 4.577 4.660 0.005 0.000 0.292 243 W C 2.572 179.054 176.519 -0.062 0.000 1.213 243 W CA 1.710 59.004 57.345 -0.086 0.000 1.283 243 W CB -1.142 28.224 29.460 -0.157 0.000 1.119 243 W HN 0.344 nan 8.180 nan 0.000 0.542 244 T N -5.125 109.494 114.554 0.108 0.000 2.959 244 T HA 0.401 4.754 4.350 0.004 0.000 0.254 244 T C 1.609 176.368 174.700 0.100 0.000 1.003 244 T CA 0.847 63.005 62.100 0.096 0.000 0.950 244 T CB 0.536 69.450 68.868 0.077 0.000 1.090 244 T HN 0.189 nan 8.240 nan 0.000 0.503 245 G N 1.415 110.265 108.800 0.084 0.000 2.175 245 G HA2 -0.159 3.803 3.960 0.004 0.000 0.244 245 G HA3 -0.159 3.803 3.960 0.004 0.000 0.244 245 G C -0.184 174.775 174.900 0.099 0.000 0.982 245 G CA 0.146 45.290 45.100 0.073 0.000 0.641 245 G HN 0.641 nan 8.290 nan 0.000 0.527 246 L N 0.169 121.491 121.223 0.164 0.000 2.329 246 L HA 0.746 5.089 4.340 0.004 0.000 0.279 246 L C -0.165 176.828 176.870 0.204 0.000 1.014 246 L CA -1.236 53.713 54.840 0.182 0.000 0.814 246 L CB 1.880 44.081 42.059 0.236 0.000 1.257 246 L HN 0.081 nan 8.230 nan 0.000 0.424 247 L N 6.290 127.569 121.223 0.094 0.000 2.264 247 L HA 0.535 4.878 4.340 0.004 0.000 0.287 247 L C -2.068 174.759 176.870 -0.072 0.000 1.039 247 L CA -1.399 53.462 54.840 0.033 0.000 0.829 247 L CB 0.679 42.755 42.059 0.027 0.000 1.211 247 L HN 0.314 nan 8.230 nan 0.000 0.427 248 P HA 0.099 nan 4.420 nan 0.000 0.274 248 P C -1.048 176.124 177.300 -0.213 0.000 1.237 248 P CA -0.418 62.504 63.100 -0.296 0.000 0.793 248 P CB 0.688 32.055 31.700 -0.555 0.000 0.977 249 D N 1.604 121.936 120.400 -0.114 0.000 2.382 249 D HA 0.058 4.701 4.640 0.004 0.000 0.259 249 D C -1.430 174.740 176.300 -0.217 0.000 1.224 249 D CA -1.391 52.546 54.000 -0.105 0.000 0.894 249 D CB 0.462 41.277 40.800 0.024 0.000 1.127 249 D HN 0.125 nan 8.370 nan 0.000 0.487 250 P HA -0.136 nan 4.420 nan 0.000 0.215 250 P C 1.067 178.069 177.300 -0.496 0.000 1.153 250 P CA 0.823 63.472 63.100 -0.753 0.000 0.853 250 P CB 0.250 30.944 31.700 -1.677 0.000 0.788 251 S N -0.711 114.784 115.700 -0.342 0.000 2.382 251 S HA -0.082 4.390 4.470 0.004 0.000 0.228 251 S C 2.173 176.579 174.600 -0.322 0.000 1.027 251 S CA 1.495 59.550 58.200 -0.242 0.000 0.991 251 S CB -1.399 61.718 63.200 -0.138 0.000 0.823 251 S HN 0.281 nan 8.310 nan 0.000 0.469 252 G N 1.329 109.902 108.800 -0.378 0.000 2.402 252 G HA2 -0.146 3.817 3.960 0.004 0.000 0.216 252 G HA3 -0.146 3.817 3.960 0.004 0.000 0.216 252 G C 1.362 175.591 174.900 -1.119 0.000 1.162 252 G CA 0.577 45.188 45.100 -0.815 0.000 0.777 252 G HN 0.413 nan 8.290 nan 0.000 0.539 253 M N 0.020 119.243 119.600 -0.627 0.000 2.229 253 M HA 0.031 4.513 4.480 0.004 0.000 0.264 253 M C 2.370 178.437 176.300 -0.389 0.000 1.063 253 M CA 1.149 56.185 55.300 -0.439 0.000 1.114 253 M CB -0.169 32.247 32.600 -0.307 0.000 1.387 253 M HN 0.331 nan 8.290 nan 0.000 0.420 254 E N 0.650 120.637 120.200 -0.354 0.000 2.047 254 E HA -0.257 4.095 4.350 0.004 0.000 0.191 254 E C 1.853 178.300 176.600 -0.255 0.000 0.987 254 E CA 1.370 57.611 56.400 -0.265 0.000 0.799 254 E CB 0.108 29.685 29.700 -0.204 0.000 0.752 254 E HN 0.291 nan 8.360 nan 0.000 0.449 255 E N 0.664 120.687 120.200 -0.297 0.000 2.118 255 E HA -0.169 4.183 4.350 0.004 0.000 0.195 255 E C 1.659 178.107 176.600 -0.254 0.000 0.992 255 E CA 1.563 57.809 56.400 -0.257 0.000 0.804 255 E CB -0.353 29.173 29.700 -0.291 0.000 0.741 255 E HN 0.326 nan 8.360 nan 0.000 0.458 256 A N 0.463 123.078 122.820 -0.341 0.000 1.930 256 A HA 0.036 4.358 4.320 0.004 0.000 0.217 256 A C 2.397 179.881 177.584 -0.165 0.000 1.175 256 A CA 1.902 53.790 52.037 -0.248 0.000 0.627 256 A CB -0.803 18.037 19.000 -0.268 0.000 0.815 256 A HN 0.375 nan 8.150 nan 0.000 0.443 257 A N -0.496 122.210 122.820 -0.190 0.000 1.929 257 A HA -0.065 4.257 4.320 0.004 0.000 0.216 257 A C 2.210 179.714 177.584 -0.134 0.000 1.176 257 A CA 1.412 53.349 52.037 -0.166 0.000 0.628 257 A CB -0.440 18.421 19.000 -0.232 0.000 0.816 257 A HN 0.525 nan 8.150 nan 0.000 0.444 258 R N -0.180 120.240 120.500 -0.134 0.000 2.073 258 R HA -0.112 4.231 4.340 0.004 0.000 0.234 258 R C 2.219 178.486 176.300 -0.054 0.000 1.134 258 R CA 1.659 57.706 56.100 -0.087 0.000 0.952 258 R CB -0.207 30.044 30.300 -0.082 0.000 0.850 258 R HN 0.501 nan 8.270 nan 0.000 0.433 259 R N -0.529 119.931 120.500 -0.066 0.000 2.235 259 R HA 0.005 4.348 4.340 0.004 0.000 0.213 259 R C 1.970 178.253 176.300 -0.029 0.000 1.059 259 R CA 0.902 56.976 56.100 -0.042 0.000 0.997 259 R CB 0.002 30.271 30.300 -0.052 0.000 0.884 259 R HN 0.222 nan 8.270 nan 0.000 0.462 260 A N 1.186 123.984 122.820 -0.037 0.000 2.123 260 A HA 0.058 4.381 4.320 0.004 0.000 0.214 260 A C 0.883 178.463 177.584 -0.006 0.000 1.152 260 A CA 0.209 52.233 52.037 -0.021 0.000 0.728 260 A CB -0.157 18.828 19.000 -0.025 0.000 0.814 260 A HN 0.133 nan 8.150 nan 0.000 0.464 261 L N 0.000 121.225 121.223 0.003 0.000 2.949 261 L HA 0.000 4.343 4.340 0.004 0.000 0.249 261 L CA 0.000 54.862 54.840 0.037 0.000 0.813 261 L CB 0.000 42.100 42.059 0.068 0.000 0.961 261 L HN 0.000 nan 8.230 nan 0.000 0.502