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 1e4g_1_T DATA FIRST_RESID 6 DATA SEQUENCE KTVFYTSIDI GSRYIKGLVL GKRDQEWEAL AFSSVKSRGL DEGEIKDAIA DATA SEQUENCE FKESVNTLLK ELEEQLQKSL RSDFVISFSS VSFEREDTVI ERDFGEEKRS DATA SEQUENCE ITLDILSEXQ SEALEKLKEN GKTPLHIFSK RYLLDDERIV FNPLDXKASK DATA SEQUENCE IAIEYTSIVV PLKVYEXFYN FLQDTVKSPF QLKSSLVSTA EGVLTTPEKD DATA SEQUENCE RGVVVVNLGY NFTGLIAYKN GVPIKISYVP VGXKHVIKDV SAVLDTSFEE DATA SEQUENCE SERLIITHGN AVYNDLKEEE IQYRGLDGNT IKTTTAKKLS VIIHARLREI DATA SEQUENCE XSKSKKFFRE VEAKXXXXXX XGIPGGVVLT GGGAKIPRIN ELATEVFKSP DATA SEQUENCE VRTGCYANSD RPSIINADEV ANDPSFAAAF GNVFAVS 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.544 176.600 -0.094 0.000 0.988 6 K CA 0.000 56.259 56.287 -0.046 0.000 0.838 6 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 7 T N 2.804 117.287 114.554 -0.118 0.000 2.853 7 T HA 0.277 4.627 4.350 -0.000 0.000 0.317 7 T C -0.617 173.880 174.700 -0.338 0.000 1.059 7 T CA -0.484 61.453 62.100 -0.272 0.000 0.954 7 T CB 0.670 69.315 68.868 -0.372 0.000 0.994 7 T HN 0.280 nan 8.240 nan 0.000 0.479 8 V N 4.970 124.732 119.914 -0.254 0.000 2.555 8 V HA 0.339 4.459 4.120 -0.000 0.000 0.286 8 V C -0.123 175.790 176.094 -0.302 0.000 1.044 8 V CA -0.407 61.790 62.300 -0.172 0.000 1.026 8 V CB 0.058 31.814 31.823 -0.113 0.000 0.981 8 V HN 0.662 nan 8.190 nan 0.000 0.480 9 F N 4.328 124.124 119.950 -0.257 0.000 2.399 9 F HA 0.523 5.050 4.527 0.000 0.000 0.334 9 F C -0.228 175.303 175.800 -0.449 0.000 1.097 9 F CA -0.588 57.283 58.000 -0.215 0.000 1.076 9 F CB 0.902 39.806 39.000 -0.160 0.000 1.162 9 F HN 0.350 nan 8.300 nan 0.000 0.495 10 Y N 0.858 121.230 120.300 0.120 0.000 2.555 10 Y HA 0.336 4.886 4.550 0.000 0.000 0.326 10 Y C 0.026 175.906 175.900 -0.034 0.000 0.984 10 Y CA -1.146 56.986 58.100 0.054 0.000 1.298 10 Y CB 0.969 39.508 38.460 0.131 0.000 1.094 10 Y HN 0.506 nan 8.280 nan 0.000 0.500 11 T N -0.060 114.415 114.554 -0.132 0.000 2.889 11 T HA 0.516 4.866 4.350 -0.000 0.000 0.291 11 T C -0.029 174.554 174.700 -0.195 0.000 0.995 11 T CA -0.758 61.114 62.100 -0.380 0.000 1.092 11 T CB 1.604 69.739 68.868 -1.221 0.000 0.954 11 T HN 0.454 nan 8.240 nan 0.000 0.506 12 S N 1.765 117.443 115.700 -0.037 0.000 2.566 12 S HA 0.631 5.101 4.470 -0.000 0.000 0.273 12 S C -1.294 173.414 174.600 0.180 0.000 1.157 12 S CA -0.895 57.373 58.200 0.114 0.000 0.938 12 S CB 0.541 63.777 63.200 0.061 0.000 1.087 12 S HN 0.662 nan 8.310 nan 0.000 0.474 13 I N 3.113 123.818 120.570 0.225 0.000 2.509 13 I HA 0.434 4.604 4.170 -0.000 0.000 0.293 13 I C -1.179 175.009 176.117 0.118 0.000 1.020 13 I CA -0.723 60.678 61.300 0.168 0.000 1.088 13 I CB 2.163 40.258 38.000 0.159 0.000 1.267 13 I HN 0.564 nan 8.210 nan 0.000 0.430 14 D N 6.874 127.317 120.400 0.072 0.000 2.453 14 D HA 0.413 5.053 4.640 -0.000 0.000 0.238 14 D C -0.642 175.706 176.300 0.080 0.000 1.088 14 D CA -0.282 53.753 54.000 0.058 0.000 0.854 14 D CB 0.936 41.733 40.800 -0.007 0.000 1.076 14 D HN 0.288 nan 8.370 nan 0.000 0.533 15 I N 3.449 124.104 120.570 0.142 0.000 2.308 15 I HA 0.402 4.572 4.170 -0.000 0.000 0.293 15 I C 1.156 177.389 176.117 0.193 0.000 1.078 15 I CA -0.326 61.100 61.300 0.210 0.000 1.292 15 I CB 1.127 39.330 38.000 0.338 0.000 1.423 15 I HN 0.311 nan 8.210 nan 0.000 0.493 16 G N 2.784 111.672 108.800 0.146 0.000 2.471 16 G HA2 0.333 4.293 3.960 -0.000 0.000 0.332 16 G HA3 0.333 4.293 3.960 -0.000 0.000 0.332 16 G C 0.760 175.710 174.900 0.084 0.000 1.176 16 G CA -0.406 44.758 45.100 0.107 0.000 0.949 16 G HN 0.600 nan 8.290 nan 0.000 0.488 17 S N -0.538 115.194 115.700 0.053 0.000 2.474 17 S HA -0.028 4.442 4.470 -0.000 0.000 0.235 17 S C 1.844 176.286 174.600 -0.262 0.000 0.997 17 S CA 0.676 58.880 58.200 0.007 0.000 0.949 17 S CB 0.064 63.350 63.200 0.145 0.000 0.766 17 S HN 0.433 nan 8.310 nan 0.000 0.517 18 R N -0.456 119.807 120.500 -0.395 0.000 2.276 18 R HA 0.384 4.724 4.340 -0.000 0.000 0.195 18 R C -0.823 175.051 176.300 -0.710 0.000 0.908 18 R CA 0.460 56.092 56.100 -0.780 0.000 1.083 18 R CB 0.477 30.116 30.300 -1.102 0.000 1.182 18 R HN 0.511 nan 8.270 nan 0.000 0.608 19 Y N -0.371 119.870 120.300 -0.100 0.000 2.524 19 Y HA 0.524 5.074 4.550 -0.000 0.000 0.347 19 Y C -0.207 175.669 175.900 -0.042 0.000 1.005 19 Y CA -0.944 57.118 58.100 -0.065 0.000 1.025 19 Y CB 2.358 40.773 38.460 -0.076 0.000 1.275 19 Y HN -0.235 nan 8.280 nan 0.000 0.460 20 I N 3.182 123.839 120.570 0.144 0.000 2.355 20 I HA 0.343 4.513 4.170 -0.000 0.000 0.288 20 I C -1.040 175.095 176.117 0.030 0.000 0.999 20 I CA -0.921 60.428 61.300 0.081 0.000 1.163 20 I CB 1.346 39.385 38.000 0.066 0.000 1.316 20 I HN 0.454 nan 8.210 nan 0.000 0.454 21 K N 4.315 124.685 120.400 -0.050 0.000 2.156 21 K HA 0.668 4.988 4.320 -0.000 0.000 0.271 21 K C 0.067 176.678 176.600 0.018 0.000 0.995 21 K CA -0.351 55.847 56.287 -0.149 0.000 0.890 21 K CB 1.760 33.901 32.500 -0.598 0.000 1.073 21 K HN 0.701 nan 8.250 nan 0.000 0.454 22 G N 1.711 110.604 108.800 0.156 0.000 2.482 22 G HA2 0.766 4.726 3.960 -0.000 0.000 0.317 22 G HA3 0.766 4.726 3.960 -0.000 0.000 0.317 22 G C -1.631 173.434 174.900 0.276 0.000 1.241 22 G CA -0.657 44.561 45.100 0.197 0.000 0.967 22 G HN 0.522 nan 8.290 nan 0.000 0.482 23 L N 1.187 122.518 121.223 0.181 0.000 2.545 23 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 23 L C -1.526 175.383 176.870 0.066 0.000 0.942 23 L CA -0.837 54.084 54.840 0.134 0.000 0.855 23 L CB 2.264 44.319 42.059 -0.006 0.000 1.374 23 L HN 0.392 nan 8.230 nan 0.000 0.411 24 V N 5.266 125.235 119.914 0.091 0.000 2.525 24 V HA 0.498 4.618 4.120 -0.000 0.000 0.299 24 V C -0.297 175.885 176.094 0.146 0.000 1.034 24 V CA -0.400 61.957 62.300 0.096 0.000 0.863 24 V CB 1.639 33.525 31.823 0.105 0.000 0.999 24 V HN 0.566 nan 8.190 nan 0.000 0.423 25 L N 3.578 124.916 121.223 0.191 0.000 2.334 25 L HA 0.904 5.244 4.340 -0.000 0.000 0.273 25 L C 0.610 177.629 176.870 0.248 0.000 1.013 25 L CA -0.532 54.466 54.840 0.264 0.000 0.816 25 L CB 2.079 44.358 42.059 0.366 0.000 1.278 25 L HN 0.750 nan 8.230 nan 0.000 0.431 26 G N 1.124 109.986 108.800 0.102 0.000 2.470 26 G HA2 0.482 4.442 3.960 -0.000 0.000 0.320 26 G HA3 0.482 4.442 3.960 -0.000 0.000 0.320 26 G C -1.341 173.370 174.900 -0.317 0.000 1.245 26 G CA -0.425 44.558 45.100 -0.195 0.000 0.935 26 G HN 0.504 nan 8.290 nan 0.000 0.476 27 K N 1.702 121.806 120.400 -0.493 0.000 2.307 27 K HA 0.542 4.862 4.320 -0.000 0.000 0.263 27 K C -0.557 175.754 176.600 -0.482 0.000 0.973 27 K CA -0.839 54.934 56.287 -0.857 0.000 0.846 27 K CB 1.120 32.896 32.500 -1.206 0.000 1.100 27 K HN 0.514 nan 8.250 nan 0.000 0.438 28 R N 4.072 124.327 120.500 -0.410 0.000 2.625 28 R HA 0.088 4.428 4.340 -0.000 0.000 0.286 28 R C -1.123 175.061 176.300 -0.194 0.000 1.406 28 R CA 0.110 56.059 56.100 -0.251 0.000 1.052 28 R CB 0.361 30.537 30.300 -0.207 0.000 1.203 28 R HN 0.958 nan 8.270 nan 0.000 0.502 29 D N 2.598 122.902 120.400 -0.159 0.000 2.704 29 D HA -0.278 4.362 4.640 -0.000 0.000 0.186 29 D C -0.323 175.915 176.300 -0.103 0.000 0.957 29 D CA 1.662 55.601 54.000 -0.101 0.000 1.011 29 D CB -1.152 39.605 40.800 -0.072 0.000 1.064 29 D HN 0.768 nan 8.370 nan 0.000 0.453 30 Q N -0.610 119.072 119.800 -0.196 0.000 2.102 30 Q HA -0.130 4.210 4.340 -0.000 0.000 0.270 30 Q C -1.370 174.527 176.000 -0.172 0.000 1.049 30 Q CA 1.260 56.944 55.803 -0.199 0.000 0.516 30 Q CB -1.801 26.930 28.738 -0.012 0.000 0.861 30 Q HN 0.612 nan 8.270 nan 0.000 0.332 31 E N 1.849 121.856 120.200 -0.321 0.000 3.666 31 E HA 0.230 4.580 4.350 -0.000 0.000 0.230 31 E C -1.092 175.410 176.600 -0.164 0.000 1.235 31 E CA -0.626 55.684 56.400 -0.150 0.000 1.096 31 E CB 0.409 30.037 29.700 -0.119 0.000 1.287 31 E HN 0.437 nan 8.360 nan 0.000 0.406 32 W N 1.897 123.228 121.300 0.052 0.000 2.417 32 W HA 0.069 4.729 4.660 -0.000 0.000 0.332 32 W C 0.773 177.338 176.519 0.078 0.000 1.413 32 W CA 0.260 57.649 57.345 0.074 0.000 1.299 32 W CB 0.395 29.957 29.460 0.170 0.000 1.304 32 W HN 0.322 nan 8.180 nan 0.000 0.565 33 E N 1.711 122.080 120.200 0.281 0.000 2.367 33 E HA 0.619 4.969 4.350 -0.000 0.000 0.273 33 E C -1.165 175.564 176.600 0.214 0.000 0.903 33 E CA -1.084 55.434 56.400 0.197 0.000 0.764 33 E CB 1.728 31.478 29.700 0.083 0.000 1.252 33 E HN 0.378 nan 8.360 nan 0.000 0.446 34 A N 4.743 127.690 122.820 0.212 0.000 2.774 34 A HA 0.270 4.590 4.320 -0.000 0.000 0.326 34 A C 0.788 178.479 177.584 0.179 0.000 1.478 34 A CA -0.275 51.906 52.037 0.240 0.000 1.099 34 A CB -0.431 18.773 19.000 0.341 0.000 1.148 34 A HN 0.684 nan 8.150 nan 0.000 0.519 35 L N 1.016 122.316 121.223 0.130 0.000 2.141 35 L HA 0.103 4.443 4.340 -0.000 0.000 0.209 35 L C 1.237 178.119 176.870 0.020 0.000 1.094 35 L CA 1.373 56.261 54.840 0.081 0.000 0.763 35 L CB -0.365 41.769 42.059 0.124 0.000 0.908 35 L HN 0.717 nan 8.230 nan 0.000 0.437 36 A N -0.442 122.399 122.820 0.035 0.000 2.605 36 A HA 0.665 4.984 4.320 -0.000 0.000 0.294 36 A C -1.576 176.035 177.584 0.045 0.000 1.062 36 A CA -0.467 51.518 52.037 -0.085 0.000 0.682 36 A CB 1.317 20.303 19.000 -0.024 0.000 1.278 36 A HN 0.121 nan 8.150 nan 0.000 0.410 37 F N -1.159 118.797 119.950 0.009 0.000 2.725 37 F HA 0.817 5.344 4.527 -0.000 0.000 0.311 37 F C -0.587 175.252 175.800 0.065 0.000 1.121 37 F CA -0.172 57.843 58.000 0.025 0.000 0.978 37 F CB 0.718 39.658 39.000 -0.099 0.000 1.274 37 F HN 1.731 nan 8.300 nan 0.000 0.440 38 S N 0.930 116.914 115.700 0.473 0.000 2.615 38 S HA 0.797 5.267 4.470 -0.000 0.000 0.268 38 S C -1.811 173.012 174.600 0.371 0.000 1.146 38 S CA -0.171 58.254 58.200 0.376 0.000 0.818 38 S CB 1.305 64.610 63.200 0.174 0.000 1.111 38 S HN 1.751 nan 8.310 nan 0.000 0.465 39 S N -0.066 115.786 115.700 0.254 0.000 2.548 39 S HA 0.866 5.336 4.470 -0.000 0.000 0.286 39 S C -1.476 173.187 174.600 0.104 0.000 1.098 39 S CA -0.445 57.835 58.200 0.132 0.000 0.930 39 S CB 1.418 64.645 63.200 0.045 0.000 1.070 39 S HN 1.214 nan 8.310 nan 0.000 0.480 40 V N 3.412 123.393 119.914 0.112 0.000 3.049 40 V HA 0.502 4.622 4.120 -0.000 0.000 0.309 40 V C -0.428 175.769 176.094 0.173 0.000 1.148 40 V CA -1.177 61.193 62.300 0.116 0.000 0.990 40 V CB 2.144 34.004 31.823 0.060 0.000 1.039 40 V HN 0.965 nan 8.190 nan 0.000 0.430 41 K N 1.888 122.377 120.400 0.148 0.000 2.447 41 K HA 0.245 4.565 4.320 -0.000 0.000 0.281 41 K C 0.296 176.906 176.600 0.018 0.000 1.031 41 K CA 0.258 56.599 56.287 0.091 0.000 1.019 41 K CB 0.705 33.230 32.500 0.041 0.000 0.918 41 K HN 0.807 nan 8.250 nan 0.000 0.476 42 S N 3.987 119.667 115.700 -0.034 0.000 2.564 42 S HA 0.276 4.746 4.470 -0.000 0.000 0.278 42 S C -0.542 174.056 174.600 -0.004 0.000 1.333 42 S CA -0.387 57.816 58.200 0.004 0.000 1.048 42 S CB 0.412 63.610 63.200 -0.003 0.000 0.900 42 S HN 0.709 nan 8.310 nan 0.000 0.505 43 R N 1.378 121.921 120.500 0.072 0.000 2.774 43 R HA 0.602 4.942 4.340 -0.000 0.000 0.272 43 R C 0.766 177.152 176.300 0.143 0.000 1.000 43 R CA -0.443 55.690 56.100 0.055 0.000 0.906 43 R CB 1.288 31.594 30.300 0.011 0.000 1.227 43 R HN 0.961 nan 8.270 nan 0.000 0.468 44 G N 0.533 109.367 108.800 0.058 0.000 2.179 44 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 44 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 44 G C -0.178 174.704 174.900 -0.029 0.000 0.977 44 G CA 0.649 45.770 45.100 0.035 0.000 0.641 44 G HN 0.495 nan 8.290 nan 0.000 0.533 45 L N -3.627 117.587 121.223 -0.015 0.000 2.476 45 L HA 0.716 5.056 4.340 -0.000 0.000 0.269 45 L C 0.510 177.381 176.870 0.001 0.000 0.965 45 L CA -0.840 53.971 54.840 -0.048 0.000 0.845 45 L CB 1.540 43.541 42.059 -0.095 0.000 1.259 45 L HN -0.065 nan 8.230 nan 0.000 0.403 46 D N 1.759 122.161 120.400 0.003 0.000 2.095 46 D HA -0.145 4.495 4.640 -0.000 0.000 0.192 46 D C -0.022 176.332 176.300 0.090 0.000 0.990 46 D CA 1.827 55.850 54.000 0.038 0.000 0.836 46 D CB 0.610 41.428 40.800 0.030 0.000 0.979 46 D HN 0.786 nan 8.370 nan 0.000 0.447 47 E N -3.317 116.936 120.200 0.089 0.000 2.857 47 E HA 0.406 4.756 4.350 -0.000 0.000 0.309 47 E C -0.001 176.678 176.600 0.132 0.000 1.113 47 E CA 0.582 57.073 56.400 0.151 0.000 0.906 47 E CB 0.695 30.528 29.700 0.222 0.000 1.191 47 E HN 0.243 nan 8.360 nan 0.000 0.449 48 G N 3.513 112.424 108.800 0.185 0.000 4.365 48 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.214 48 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.214 48 G C -0.477 174.457 174.900 0.057 0.000 1.450 48 G CA 0.283 45.474 45.100 0.151 0.000 0.937 48 G HN 0.694 nan 8.290 nan 0.000 0.625 49 E N 1.822 122.005 120.200 -0.028 0.000 2.216 49 E HA 0.607 4.957 4.350 -0.000 0.000 0.279 49 E C -0.233 176.255 176.600 -0.188 0.000 0.997 49 E CA -0.921 55.400 56.400 -0.133 0.000 0.817 49 E CB 1.896 31.543 29.700 -0.088 0.000 1.096 49 E HN 0.556 nan 8.360 nan 0.000 0.393 50 I N 2.763 123.144 120.570 -0.314 0.000 2.322 50 I HA 0.063 4.233 4.170 -0.000 0.000 0.292 50 I C 1.095 177.129 176.117 -0.138 0.000 1.060 50 I CA -0.158 60.957 61.300 -0.308 0.000 1.309 50 I CB 0.434 38.180 38.000 -0.423 0.000 1.415 50 I HN 0.336 nan 8.210 nan 0.000 0.492 51 K N 3.841 124.176 120.400 -0.108 0.000 2.397 51 K HA 0.125 4.445 4.320 -0.000 0.000 0.202 51 K C -0.317 176.239 176.600 -0.073 0.000 1.022 51 K CA 0.142 56.387 56.287 -0.070 0.000 1.141 51 K CB 0.282 32.751 32.500 -0.052 0.000 0.857 51 K HN 0.480 nan 8.250 nan 0.000 0.514 52 D N -0.039 120.300 120.400 -0.101 0.000 2.881 52 D HA 0.136 4.776 4.640 -0.000 0.000 0.238 52 D C 0.311 176.516 176.300 -0.160 0.000 1.368 52 D CA -0.138 53.797 54.000 -0.109 0.000 0.871 52 D CB 0.444 41.203 40.800 -0.068 0.000 1.516 52 D HN 0.019 nan 8.370 nan 0.000 0.544 53 A N 2.907 125.522 122.820 -0.341 0.000 2.024 53 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 53 A C 2.006 179.384 177.584 -0.343 0.000 1.164 53 A CA 0.868 52.522 52.037 -0.639 0.000 0.643 53 A CB -0.278 17.781 19.000 -1.568 0.000 0.806 53 A HN 0.580 nan 8.150 nan 0.000 0.451 54 I N -0.322 120.107 120.570 -0.234 0.000 2.233 54 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 54 I C 2.937 178.988 176.117 -0.111 0.000 1.093 54 I CA 1.420 62.625 61.300 -0.159 0.000 1.380 54 I CB -1.660 36.268 38.000 -0.119 0.000 1.067 54 I HN 0.356 nan 8.210 nan 0.000 0.413 55 A N 0.542 123.317 122.820 -0.075 0.000 1.902 55 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 55 A C 2.343 179.914 177.584 -0.022 0.000 1.181 55 A CA 1.392 53.402 52.037 -0.045 0.000 0.623 55 A CB -1.082 17.902 19.000 -0.027 0.000 0.818 55 A HN 0.407 nan 8.150 nan 0.000 0.443 56 F N 0.620 120.482 119.950 -0.147 0.000 2.102 56 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 56 F C 2.182 177.912 175.800 -0.116 0.000 1.105 56 F CA 2.100 60.027 58.000 -0.121 0.000 1.239 56 F CB -0.109 38.808 39.000 -0.139 0.000 0.991 56 F HN 0.071 nan 8.300 nan 0.000 0.474 57 K N 0.363 120.580 120.400 -0.304 0.000 2.152 57 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 57 K C 1.906 178.316 176.600 -0.317 0.000 1.048 57 K CA 1.924 57.986 56.287 -0.375 0.000 0.933 57 K CB -0.321 32.055 32.500 -0.207 0.000 0.721 57 K HN 0.605 nan 8.250 nan 0.000 0.447 58 E N 0.160 120.225 120.200 -0.225 0.000 2.107 58 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 58 E C 1.897 178.391 176.600 -0.176 0.000 0.982 58 E CA 0.978 57.278 56.400 -0.167 0.000 0.809 58 E CB -0.139 29.493 29.700 -0.112 0.000 0.756 58 E HN 0.013 nan 8.360 nan 0.000 0.459 59 S N 1.213 116.791 115.700 -0.203 0.000 2.370 59 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 59 S C 2.195 176.669 174.600 -0.210 0.000 1.033 59 S CA 1.343 59.442 58.200 -0.168 0.000 1.011 59 S CB -0.277 62.835 63.200 -0.146 0.000 0.852 59 S HN 0.129 nan 8.310 nan 0.000 0.457 60 V N 2.750 122.446 119.914 -0.363 0.000 2.515 60 V HA -0.107 4.013 4.120 -0.000 0.000 0.250 60 V C 2.073 178.035 176.094 -0.219 0.000 1.058 60 V CA 1.289 63.388 62.300 -0.336 0.000 1.064 60 V CB -0.654 30.860 31.823 -0.516 0.000 0.675 60 V HN 0.448 nan 8.190 nan 0.000 0.461 61 N N -0.012 118.569 118.700 -0.198 0.000 2.250 61 N HA -0.097 4.643 4.740 -0.000 0.000 0.181 61 N C 1.944 177.402 175.510 -0.087 0.000 1.017 61 N CA 1.661 54.630 53.050 -0.135 0.000 0.866 61 N CB -0.268 38.145 38.487 -0.123 0.000 0.985 61 N HN 0.415 nan 8.380 nan 0.000 0.429 62 T N 2.052 116.557 114.554 -0.082 0.000 2.708 62 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 62 T C 2.003 176.688 174.700 -0.025 0.000 1.037 62 T CA 0.688 62.761 62.100 -0.046 0.000 1.146 62 T CB -0.330 68.515 68.868 -0.038 0.000 0.865 62 T HN 0.076 nan 8.240 nan 0.000 0.435 63 L N 1.018 122.223 121.223 -0.030 0.000 1.989 63 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 63 L C 2.239 179.121 176.870 0.021 0.000 1.071 63 L CA 1.624 56.469 54.840 0.007 0.000 0.749 63 L CB -0.748 41.314 42.059 0.005 0.000 0.890 63 L HN 0.248 nan 8.230 nan 0.000 0.431 64 L N -0.417 120.802 121.223 -0.006 0.000 2.081 64 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 64 L C 2.681 179.562 176.870 0.018 0.000 1.080 64 L CA 1.879 56.730 54.840 0.019 0.000 0.754 64 L CB -0.715 41.321 42.059 -0.038 0.000 0.893 64 L HN 0.409 nan 8.230 nan 0.000 0.433 65 K N 0.623 121.019 120.400 -0.007 0.000 1.985 65 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 65 K C 1.903 178.503 176.600 0.001 0.000 1.047 65 K CA 1.679 57.961 56.287 -0.008 0.000 0.932 65 K CB -0.117 32.372 32.500 -0.018 0.000 0.716 65 K HN 0.274 nan 8.250 nan 0.000 0.439 66 E N 0.353 120.556 120.200 0.006 0.000 2.114 66 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 66 E C 2.073 178.679 176.600 0.009 0.000 1.008 66 E CA 1.442 57.847 56.400 0.009 0.000 0.810 66 E CB -0.097 29.617 29.700 0.023 0.000 0.739 66 E HN 0.192 nan 8.360 nan 0.000 0.456 67 L N 0.788 122.030 121.223 0.032 0.000 2.023 67 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 67 L C 2.258 179.138 176.870 0.017 0.000 1.073 67 L CA 1.678 56.541 54.840 0.038 0.000 0.745 67 L CB -0.531 41.580 42.059 0.087 0.000 0.900 67 L HN 0.038 nan 8.230 nan 0.000 0.435 68 E N -0.670 119.541 120.200 0.018 0.000 2.085 68 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 68 E C 2.132 178.723 176.600 -0.015 0.000 0.994 68 E CA 1.436 57.834 56.400 -0.003 0.000 0.801 68 E CB -0.007 29.692 29.700 -0.001 0.000 0.743 68 E HN 0.507 nan 8.360 nan 0.000 0.453 69 E N 0.370 120.562 120.200 -0.014 0.000 2.038 69 E HA -0.302 4.047 4.350 -0.000 0.000 0.195 69 E C 2.056 178.641 176.600 -0.026 0.000 1.000 69 E CA 1.578 57.966 56.400 -0.020 0.000 0.803 69 E CB -0.024 29.665 29.700 -0.019 0.000 0.750 69 E HN 0.330 nan 8.360 nan 0.000 0.448 70 Q N 0.078 119.857 119.800 -0.034 0.000 2.135 70 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 70 Q C 2.380 178.361 176.000 -0.031 0.000 0.981 70 Q CA 1.298 57.069 55.803 -0.053 0.000 0.856 70 Q CB -0.101 28.582 28.738 -0.093 0.000 0.902 70 Q HN 0.411 nan 8.270 nan 0.000 0.425 71 L N 0.565 121.779 121.223 -0.014 0.000 2.552 71 L HA -0.072 4.268 4.340 -0.000 0.000 0.227 71 L C 0.274 177.143 176.870 -0.000 0.000 1.146 71 L CA 0.131 54.977 54.840 0.011 0.000 0.858 71 L CB -0.100 41.963 42.059 0.006 0.000 0.969 71 L HN 0.279 nan 8.230 nan 0.000 0.451 72 Q N 0.460 120.252 119.800 -0.014 0.000 2.435 72 Q HA -0.222 4.118 4.340 -0.000 0.000 0.286 72 Q C -0.292 175.692 176.000 -0.027 0.000 1.229 72 Q CA 1.326 57.120 55.803 -0.016 0.000 0.884 72 Q CB -1.422 27.312 28.738 -0.006 0.000 1.245 72 Q HN 0.598 nan 8.270 nan 0.000 0.488 73 K N -1.259 119.113 120.400 -0.047 0.000 2.308 73 K HA 0.590 4.910 4.320 -0.000 0.000 0.268 73 K C -0.776 175.771 176.600 -0.088 0.000 0.992 73 K CA -0.688 55.548 56.287 -0.084 0.000 0.836 73 K CB 1.468 33.879 32.500 -0.148 0.000 1.507 73 K HN -0.077 nan 8.250 nan 0.000 0.394 74 S N 1.453 117.080 115.700 -0.122 0.000 2.659 74 S HA 0.359 4.829 4.470 -0.000 0.000 0.312 74 S C -1.117 173.411 174.600 -0.120 0.000 1.114 74 S CA -0.741 57.405 58.200 -0.089 0.000 1.063 74 S CB 0.408 63.569 63.200 -0.064 0.000 0.996 74 S HN 0.328 nan 8.310 nan 0.000 0.478 75 L N 5.649 126.834 121.223 -0.063 0.000 2.562 75 L HA 0.324 4.664 4.340 -0.000 0.000 0.271 75 L C 1.237 178.123 176.870 0.027 0.000 1.167 75 L CA 0.722 55.538 54.840 -0.040 0.000 0.917 75 L CB -0.046 42.085 42.059 0.120 0.000 1.187 75 L HN 0.711 nan 8.230 nan 0.000 0.482 76 R N 0.779 121.254 120.500 -0.043 0.000 2.541 76 R HA 0.186 4.526 4.340 -0.000 0.000 0.332 76 R C 0.338 176.644 176.300 0.010 0.000 0.951 76 R CA -0.084 56.020 56.100 0.007 0.000 1.136 76 R CB 0.433 30.712 30.300 -0.035 0.000 1.449 76 R HN 0.458 nan 8.270 nan 0.000 0.531 77 S N 1.244 116.916 115.700 -0.048 0.000 2.645 77 S HA 0.201 4.671 4.470 -0.000 0.000 0.266 77 S C -0.157 174.456 174.600 0.022 0.000 1.258 77 S CA -0.476 57.689 58.200 -0.059 0.000 0.990 77 S CB 0.898 64.016 63.200 -0.137 0.000 0.967 77 S HN 0.009 nan 8.310 nan 0.000 0.556 78 D N 0.627 121.040 120.400 0.022 0.000 2.390 78 D HA 0.327 4.967 4.640 -0.000 0.000 0.249 78 D C -0.585 175.801 176.300 0.144 0.000 1.144 78 D CA 0.364 54.445 54.000 0.135 0.000 0.880 78 D CB 0.145 41.003 40.800 0.096 0.000 1.182 78 D HN 0.246 nan 8.370 nan 0.000 0.451 79 F N 0.686 120.725 119.950 0.148 0.000 2.378 79 F HA 0.397 4.924 4.527 0.000 0.000 0.325 79 F C 0.468 176.390 175.800 0.204 0.000 1.097 79 F CA -0.691 57.404 58.000 0.158 0.000 1.079 79 F CB 1.232 40.314 39.000 0.136 0.000 1.240 79 F HN -0.044 nan 8.300 nan 0.000 0.519 80 V N 4.877 125.014 119.914 0.373 0.000 2.380 80 V HA 0.339 4.459 4.120 -0.000 0.000 0.286 80 V C -0.559 175.706 176.094 0.285 0.000 1.015 80 V CA -0.611 61.865 62.300 0.293 0.000 0.834 80 V CB 1.116 33.063 31.823 0.206 0.000 1.009 80 V HN 0.370 nan 8.190 nan 0.000 0.428 81 I N 4.339 125.080 120.570 0.284 0.000 2.378 81 I HA 0.565 4.735 4.170 -0.000 0.000 0.291 81 I C 0.431 176.678 176.117 0.217 0.000 0.992 81 I CA -0.134 61.294 61.300 0.212 0.000 1.154 81 I CB 1.880 39.944 38.000 0.107 0.000 1.315 81 I HN 0.668 nan 8.210 nan 0.000 0.448 82 S N 6.155 121.956 115.700 0.169 0.000 2.578 82 S HA 0.910 5.380 4.470 -0.000 0.000 0.301 82 S C -0.707 173.968 174.600 0.125 0.000 1.091 82 S CA -0.571 57.695 58.200 0.110 0.000 1.032 82 S CB 2.307 65.543 63.200 0.061 0.000 1.064 82 S HN 0.490 nan 8.310 nan 0.000 0.508 83 F N -1.442 118.503 119.950 -0.007 0.000 2.662 83 F HA 0.822 5.349 4.527 0.001 0.000 0.312 83 F C -0.926 174.957 175.800 0.138 0.000 1.113 83 F CA -1.066 56.877 58.000 -0.095 0.000 0.951 83 F CB 0.995 39.591 39.000 -0.673 0.000 1.344 83 F HN 0.505 nan 8.300 nan 0.000 0.462 84 S N 1.407 117.240 115.700 0.221 0.000 2.508 84 S HA 0.687 5.157 4.470 -0.000 0.000 0.284 84 S C -0.664 174.192 174.600 0.426 0.000 1.192 84 S CA -0.640 57.760 58.200 0.334 0.000 1.070 84 S CB 1.303 64.661 63.200 0.262 0.000 1.004 84 S HN 0.842 nan 8.310 nan 0.000 0.493 85 S N 1.341 117.249 115.700 0.347 0.000 2.537 85 S HA 0.384 4.854 4.470 -0.000 0.000 0.270 85 S C 0.326 174.758 174.600 -0.279 0.000 1.142 85 S CA -0.687 57.456 58.200 -0.094 0.000 0.870 85 S CB 1.318 64.122 63.200 -0.660 0.000 1.112 85 S HN 0.343 nan 8.310 nan 0.000 0.466 86 V N 3.620 123.211 119.914 -0.538 0.000 3.129 86 V HA 0.006 4.126 4.120 -0.000 0.000 0.259 86 V C 2.074 177.837 176.094 -0.552 0.000 1.116 86 V CA 1.836 63.540 62.300 -0.993 0.000 1.127 86 V CB -0.005 31.149 31.823 -1.115 0.000 0.742 86 V HN 0.936 nan 8.190 nan 0.000 0.474 87 S N -1.046 114.421 115.700 -0.389 0.000 2.631 87 S HA 0.199 4.669 4.470 -0.000 0.000 0.217 87 S C 0.323 174.840 174.600 -0.138 0.000 0.958 87 S CA -0.325 57.741 58.200 -0.223 0.000 0.920 87 S CB -0.492 62.604 63.200 -0.173 0.000 0.776 87 S HN 0.274 nan 8.310 nan 0.000 0.517 88 F N 3.586 123.540 119.950 0.005 0.000 2.518 88 F HA 0.449 4.976 4.527 -0.000 0.000 0.359 88 F C 0.943 176.773 175.800 0.051 0.000 1.118 88 F CA -0.799 57.226 58.000 0.042 0.000 1.287 88 F CB 0.462 39.477 39.000 0.025 0.000 1.132 88 F HN 0.411 nan 8.300 nan 0.000 0.587 89 E N 1.688 122.056 120.200 0.279 0.000 2.407 89 E HA 0.339 4.689 4.350 -0.000 0.000 0.279 89 E C -1.393 175.288 176.600 0.136 0.000 1.012 89 E CA -1.269 55.236 56.400 0.173 0.000 0.800 89 E CB 1.586 31.364 29.700 0.129 0.000 1.276 89 E HN 0.603 nan 8.360 nan 0.000 0.452 90 R N 1.305 121.860 120.500 0.093 0.000 2.390 90 R HA 0.206 4.546 4.340 -0.000 0.000 0.291 90 R C -0.874 175.462 176.300 0.059 0.000 1.070 90 R CA 0.002 56.138 56.100 0.061 0.000 1.014 90 R CB 0.779 31.089 30.300 0.017 0.000 1.007 90 R HN 0.541 nan 8.270 nan 0.000 0.466 91 E N 2.968 123.207 120.200 0.065 0.000 2.308 91 E HA 0.272 4.622 4.350 -0.000 0.000 0.275 91 E C -1.361 175.277 176.600 0.063 0.000 0.890 91 E CA -0.704 55.730 56.400 0.057 0.000 0.754 91 E CB 2.330 32.066 29.700 0.059 0.000 1.207 91 E HN 0.618 nan 8.360 nan 0.000 0.426 92 D N 0.439 120.870 120.400 0.052 0.000 2.392 92 D HA 0.631 5.271 4.640 -0.000 0.000 0.246 92 D C -0.394 175.946 176.300 0.066 0.000 1.013 92 D CA -0.382 53.658 54.000 0.066 0.000 0.993 92 D CB 2.383 43.208 40.800 0.041 0.000 1.219 92 D HN 0.267 nan 8.370 nan 0.000 0.538 93 T N -0.686 113.928 114.554 0.099 0.000 2.977 93 T HA 0.423 4.772 4.350 -0.000 0.000 0.345 93 T C -1.702 173.091 174.700 0.155 0.000 1.562 93 T CA -0.719 61.436 62.100 0.091 0.000 1.090 93 T CB 1.040 69.941 68.868 0.055 0.000 1.383 93 T HN 0.264 nan 8.240 nan 0.000 0.484 94 V N 2.887 122.869 119.914 0.113 0.000 2.715 94 V HA 0.904 5.024 4.120 -0.000 0.000 0.310 94 V C -0.947 175.227 176.094 0.133 0.000 1.054 94 V CA -0.750 61.627 62.300 0.129 0.000 0.928 94 V CB 1.614 33.468 31.823 0.052 0.000 1.007 94 V HN 0.910 nan 8.190 nan 0.000 0.437 95 I N 3.038 123.716 120.570 0.180 0.000 2.582 95 I HA 0.641 4.811 4.170 -0.000 0.000 0.292 95 I C -0.474 175.701 176.117 0.097 0.000 1.066 95 I CA -0.344 61.043 61.300 0.145 0.000 1.053 95 I CB 2.123 40.252 38.000 0.216 0.000 1.241 95 I HN 0.943 nan 8.210 nan 0.000 0.421 96 E N 5.868 126.094 120.200 0.043 0.000 2.343 96 E HA 0.604 4.954 4.350 -0.000 0.000 0.270 96 E C -1.393 175.179 176.600 -0.048 0.000 0.895 96 E CA -0.860 55.537 56.400 -0.006 0.000 0.767 96 E CB 2.138 31.822 29.700 -0.026 0.000 1.248 96 E HN 0.383 nan 8.360 nan 0.000 0.440 97 R N 2.215 122.629 120.500 -0.144 0.000 2.628 97 R HA 0.365 4.705 4.340 -0.000 0.000 0.288 97 R C -1.656 174.315 176.300 -0.548 0.000 0.980 97 R CA -0.763 55.161 56.100 -0.292 0.000 0.891 97 R CB 1.644 31.768 30.300 -0.292 0.000 1.188 97 R HN 0.642 nan 8.270 nan 0.000 0.450 98 D N 1.685 121.806 120.400 -0.465 0.000 2.462 98 D HA 0.312 4.952 4.640 -0.000 0.000 0.245 98 D C -0.258 175.861 176.300 -0.302 0.000 1.122 98 D CA -0.258 53.505 54.000 -0.396 0.000 0.864 98 D CB 0.603 41.304 40.800 -0.165 0.000 1.098 98 D HN 0.289 nan 8.370 nan 0.000 0.541 99 F N 2.174 122.133 119.950 0.015 0.000 2.676 99 F HA 0.344 4.871 4.527 -0.000 0.000 0.300 99 F C 1.751 177.556 175.800 0.009 0.000 1.160 99 F CA -0.144 57.864 58.000 0.012 0.000 1.401 99 F CB -0.495 38.512 39.000 0.012 0.000 1.037 99 F HN 0.547 nan 8.300 nan 0.000 0.522 100 G N 0.902 109.755 108.800 0.088 0.000 2.550 100 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.277 100 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.277 100 G C 1.137 176.076 174.900 0.065 0.000 1.190 100 G CA 0.463 45.600 45.100 0.061 0.000 0.971 100 G HN 0.345 nan 8.290 nan 0.000 0.559 101 E N 1.325 121.561 120.200 0.059 0.000 2.230 101 E HA 0.109 4.459 4.350 -0.000 0.000 0.192 101 E C 1.262 177.903 176.600 0.068 0.000 0.987 101 E CA 0.597 57.028 56.400 0.051 0.000 0.841 101 E CB 0.061 29.782 29.700 0.035 0.000 0.783 101 E HN 0.636 nan 8.360 nan 0.000 0.481 102 E N 2.089 122.341 120.200 0.087 0.000 2.481 102 E HA -0.121 4.229 4.350 -0.000 0.000 0.263 102 E C -0.351 176.323 176.600 0.123 0.000 0.992 102 E CA 0.383 56.835 56.400 0.087 0.000 0.938 102 E CB 0.541 30.292 29.700 0.086 0.000 0.933 102 E HN -0.259 nan 8.360 nan 0.000 0.453 103 K N 3.280 123.726 120.400 0.076 0.000 2.360 103 K HA 0.250 4.570 4.320 -0.000 0.000 0.235 103 K C -0.829 175.793 176.600 0.036 0.000 1.077 103 K CA -0.620 55.719 56.287 0.087 0.000 1.035 103 K CB 0.298 32.828 32.500 0.050 0.000 1.623 103 K HN 0.467 nan 8.250 nan 0.000 0.462 104 R N 0.932 121.439 120.500 0.013 0.000 2.615 104 R HA 0.277 4.617 4.340 -0.000 0.000 0.270 104 R C -0.554 175.679 176.300 -0.112 0.000 1.081 104 R CA 0.005 55.974 56.100 -0.217 0.000 1.154 104 R CB 0.669 30.452 30.300 -0.860 0.000 1.063 104 R HN 0.557 nan 8.270 nan 0.000 0.519 105 S N 4.497 120.119 115.700 -0.131 0.000 2.442 105 S HA 0.391 4.861 4.470 -0.000 0.000 0.297 105 S C 0.083 174.644 174.600 -0.064 0.000 1.131 105 S CA -0.974 57.190 58.200 -0.061 0.000 1.092 105 S CB 0.738 63.908 63.200 -0.049 0.000 0.998 105 S HN 0.439 nan 8.310 nan 0.000 0.478 106 I N 4.959 125.526 120.570 -0.004 0.000 2.517 106 I HA 0.176 4.346 4.170 -0.000 0.000 0.285 106 I C 1.267 177.384 176.117 0.000 0.000 1.106 106 I CA 0.290 61.602 61.300 0.021 0.000 1.402 106 I CB -0.483 37.551 38.000 0.057 0.000 1.399 106 I HN 0.931 nan 8.210 nan 0.000 0.535 107 T N 3.216 117.771 114.554 0.002 0.000 2.938 107 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 107 T C 1.262 175.977 174.700 0.025 0.000 1.028 107 T CA -0.867 61.234 62.100 0.002 0.000 1.005 107 T CB 1.666 70.526 68.868 -0.012 0.000 1.157 107 T HN 0.389 nan 8.240 nan 0.000 0.550 108 L N 0.185 121.423 121.223 0.025 0.000 2.131 108 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 108 L C 2.225 179.124 176.870 0.048 0.000 1.092 108 L CA 1.359 56.223 54.840 0.040 0.000 0.759 108 L CB -0.562 41.518 42.059 0.035 0.000 0.903 108 L HN 0.692 nan 8.230 nan 0.000 0.435 109 D N 0.172 120.593 120.400 0.035 0.000 2.097 109 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 109 D C 2.260 178.592 176.300 0.054 0.000 0.989 109 D CA 1.255 55.277 54.000 0.037 0.000 0.827 109 D CB -0.075 40.737 40.800 0.020 0.000 0.966 109 D HN 0.262 nan 8.370 nan 0.000 0.456 110 I N 0.152 120.757 120.570 0.059 0.000 2.226 110 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 110 I C 1.969 178.164 176.117 0.129 0.000 1.100 110 I CA 0.458 61.817 61.300 0.098 0.000 1.374 110 I CB -0.130 37.938 38.000 0.112 0.000 1.057 110 I HN 0.045 nan 8.210 nan 0.000 0.413 111 L N 0.853 122.150 121.223 0.123 0.000 2.046 111 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 111 L C 2.900 179.863 176.870 0.156 0.000 1.077 111 L CA 2.255 57.191 54.840 0.161 0.000 0.747 111 L CB -1.413 40.733 42.059 0.145 0.000 0.896 111 L HN 0.359 nan 8.230 nan 0.000 0.432 112 S N -1.888 113.877 115.700 0.107 0.000 2.406 112 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 112 S C 0.968 175.607 174.600 0.064 0.000 1.020 112 S CA 0.016 58.266 58.200 0.082 0.000 0.965 112 S CB -0.405 62.831 63.200 0.059 0.000 0.798 112 S HN 0.464 nan 8.310 nan 0.000 0.488 116 S N 0.917 116.571 115.700 -0.076 0.000 2.368 116 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 116 S C 1.378 175.924 174.600 -0.089 0.000 1.029 116 S CA 1.496 59.654 58.200 -0.070 0.000 0.988 116 S CB -0.116 63.068 63.200 -0.028 0.000 0.838 116 S HN 0.371 nan 8.310 nan 0.000 0.462 117 E N 0.806 120.961 120.200 -0.075 0.000 2.085 117 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 117 E C 2.208 178.739 176.600 -0.116 0.000 0.994 117 E CA 1.076 57.437 56.400 -0.065 0.000 0.801 117 E CB -0.191 29.494 29.700 -0.027 0.000 0.743 117 E HN 0.497 nan 8.360 nan 0.000 0.453 118 A N 0.514 123.197 122.820 -0.227 0.000 1.873 118 A HA -0.168 4.151 4.320 -0.000 0.000 0.215 118 A C 2.111 179.563 177.584 -0.220 0.000 1.186 118 A CA 1.046 52.897 52.037 -0.311 0.000 0.616 118 A CB -0.635 17.894 19.000 -0.785 0.000 0.823 118 A HN 0.200 nan 8.150 nan 0.000 0.442 119 L N -0.314 120.784 121.223 -0.209 0.000 2.043 119 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 119 L C 2.554 179.363 176.870 -0.102 0.000 1.075 119 L CA 2.114 56.871 54.840 -0.138 0.000 0.752 119 L CB -0.456 41.534 42.059 -0.115 0.000 0.891 119 L HN 0.477 nan 8.230 nan 0.000 0.432 120 E N -0.536 119.609 120.200 -0.092 0.000 2.051 120 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 120 E C 2.216 178.779 176.600 -0.061 0.000 0.991 120 E CA 1.206 57.564 56.400 -0.070 0.000 0.799 120 E CB -0.027 29.639 29.700 -0.056 0.000 0.748 120 E HN 0.401 nan 8.360 nan 0.000 0.449 121 K N 0.259 120.622 120.400 -0.061 0.000 2.103 121 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 121 K C 1.880 178.458 176.600 -0.037 0.000 1.048 121 K CA 0.706 56.967 56.287 -0.043 0.000 0.930 121 K CB -0.012 32.465 32.500 -0.038 0.000 0.716 121 K HN 0.087 nan 8.250 nan 0.000 0.444 122 L N 1.356 122.550 121.223 -0.047 0.000 2.362 122 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 122 L C 0.478 177.330 176.870 -0.030 0.000 1.134 122 L CA 1.423 56.245 54.840 -0.029 0.000 0.807 122 L CB -0.655 41.388 42.059 -0.027 0.000 0.927 122 L HN 0.027 nan 8.230 nan 0.000 0.447 123 K N 1.566 121.938 120.400 -0.048 0.000 2.171 123 K HA 0.204 4.524 4.320 -0.000 0.000 0.274 123 K C -0.055 176.522 176.600 -0.040 0.000 1.110 123 K CA 0.009 56.263 56.287 -0.055 0.000 0.952 123 K CB 0.220 32.675 32.500 -0.075 0.000 1.309 123 K HN 0.288 nan 8.250 nan 0.000 0.414 124 E N 0.447 120.631 120.200 -0.027 0.000 2.427 124 E HA 0.102 4.452 4.350 -0.000 0.000 0.279 124 E C -0.586 176.009 176.600 -0.009 0.000 1.120 124 E CA -1.017 55.372 56.400 -0.018 0.000 0.869 124 E CB 0.262 29.954 29.700 -0.014 0.000 1.393 124 E HN 0.272 nan 8.360 nan 0.000 0.443 125 N N -0.106 118.591 118.700 -0.006 0.000 2.708 125 N HA -0.284 4.456 4.740 -0.000 0.000 0.249 125 N C 0.744 176.255 175.510 0.001 0.000 1.097 125 N CA 0.942 53.992 53.050 0.000 0.000 0.710 125 N CB -1.148 37.342 38.487 0.006 0.000 1.032 125 N HN 1.490 nan 8.380 nan 0.000 0.551 126 G N -0.821 107.976 108.800 -0.005 0.000 2.166 126 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.260 126 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.260 126 G C 0.032 174.933 174.900 0.002 0.000 0.986 126 G CA 1.202 46.299 45.100 -0.004 0.000 0.683 126 G HN 0.469 nan 8.290 nan 0.000 0.527 127 K N -0.525 119.875 120.400 0.001 0.000 2.211 127 K HA 0.815 5.135 4.320 -0.000 0.000 0.237 127 K C -0.357 176.231 176.600 -0.020 0.000 1.002 127 K CA -0.305 55.990 56.287 0.013 0.000 0.885 127 K CB 1.806 34.325 32.500 0.031 0.000 1.136 127 K HN 0.183 nan 8.250 nan 0.000 0.448 128 T N 1.845 116.387 114.554 -0.020 0.000 3.105 128 T HA 0.342 4.692 4.350 -0.000 0.000 0.321 128 T C -2.924 171.756 174.700 -0.033 0.000 1.135 128 T CA -1.574 60.472 62.100 -0.090 0.000 1.053 128 T CB 1.568 70.283 68.868 -0.255 0.000 1.133 128 T HN 0.263 nan 8.240 nan 0.000 0.463 129 P HA 0.244 nan 4.420 nan 0.000 0.276 129 P C -0.063 177.239 177.300 0.002 0.000 1.230 129 P CA -0.382 62.725 63.100 0.012 0.000 0.776 129 P CB 1.236 32.929 31.700 -0.012 0.000 0.888 130 L N 2.787 124.039 121.223 0.049 0.000 2.577 130 L HA 0.273 4.613 4.340 -0.000 0.000 0.225 130 L C 0.593 177.245 176.870 -0.363 0.000 1.053 130 L CA 1.057 55.853 54.840 -0.074 0.000 0.866 130 L CB -0.694 41.382 42.059 0.029 0.000 1.132 130 L HN 0.497 nan 8.230 nan 0.000 0.486 131 H N -1.432 117.664 119.070 0.044 0.000 2.806 131 H HA 0.708 5.264 4.556 0.000 0.000 0.367 131 H C -0.980 174.332 175.328 -0.027 0.000 1.136 131 H CA -0.583 55.452 56.048 -0.022 0.000 1.178 131 H CB 1.849 31.687 29.762 0.127 0.000 1.718 131 H HN -0.189 nan 8.280 nan 0.000 0.540 132 I N 2.522 123.003 120.570 -0.148 0.000 2.582 132 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 132 I C -1.290 174.670 176.117 -0.261 0.000 1.066 132 I CA -0.656 60.625 61.300 -0.032 0.000 1.053 132 I CB 1.713 39.701 38.000 -0.021 0.000 1.241 132 I HN 0.334 nan 8.210 nan 0.000 0.421 133 F N 2.246 122.301 119.950 0.175 0.000 2.539 133 F HA 0.380 4.907 4.527 -0.000 0.000 0.318 133 F C 0.239 176.090 175.800 0.085 0.000 1.135 133 F CA -0.758 57.318 58.000 0.126 0.000 0.915 133 F CB 2.134 41.163 39.000 0.048 0.000 1.176 133 F HN 0.246 nan 8.300 nan 0.000 0.440 134 S N 2.936 118.721 115.700 0.141 0.000 2.465 134 S HA 0.114 4.584 4.470 -0.000 0.000 0.280 134 S C 1.110 175.562 174.600 -0.247 0.000 1.232 134 S CA -0.507 57.526 58.200 -0.279 0.000 1.066 134 S CB 1.086 64.118 63.200 -0.280 0.000 0.929 134 S HN 0.740 nan 8.310 nan 0.000 0.494 135 K N 2.714 122.919 120.400 -0.326 0.000 2.141 135 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 135 K C 0.737 177.187 176.600 -0.251 0.000 1.045 135 K CA 0.466 56.633 56.287 -0.200 0.000 0.971 135 K CB 0.292 32.715 32.500 -0.130 0.000 0.795 135 K HN 0.738 nan 8.250 nan 0.000 0.459 136 R N -1.293 118.966 120.500 -0.401 0.000 2.739 136 R HA 0.287 4.627 4.340 -0.000 0.000 0.271 136 R C -1.780 174.240 176.300 -0.466 0.000 1.010 136 R CA -0.886 55.041 56.100 -0.287 0.000 0.897 136 R CB 0.739 30.970 30.300 -0.114 0.000 1.236 136 R HN -0.159 nan 8.270 nan 0.000 0.466 137 Y N 1.328 121.611 120.300 -0.029 0.000 2.391 137 Y HA 0.552 5.102 4.550 -0.000 0.000 0.341 137 Y C -0.976 174.904 175.900 -0.032 0.000 0.965 137 Y CA -1.050 57.026 58.100 -0.038 0.000 1.067 137 Y CB 2.462 40.911 38.460 -0.018 0.000 1.199 137 Y HN 0.488 nan 8.280 nan 0.000 0.450 138 L N 4.898 126.189 121.223 0.115 0.000 2.372 138 L HA 0.577 4.917 4.340 -0.000 0.000 0.274 138 L C -1.563 175.332 176.870 0.041 0.000 0.988 138 L CA -0.454 54.417 54.840 0.051 0.000 0.833 138 L CB 1.013 43.081 42.059 0.015 0.000 1.236 138 L HN 0.567 nan 8.230 nan 0.000 0.410 139 L N 4.639 125.878 121.223 0.027 0.000 2.292 139 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 139 L C -0.261 176.611 176.870 0.003 0.000 1.065 139 L CA -1.081 53.772 54.840 0.021 0.000 0.806 139 L CB 0.923 42.994 42.059 0.020 0.000 1.175 139 L HN 0.782 nan 8.230 nan 0.000 0.431 140 D N 1.612 122.006 120.400 -0.010 0.000 3.061 140 D HA -0.227 4.413 4.640 -0.000 0.000 0.203 140 D C -0.325 175.965 176.300 -0.017 0.000 1.245 140 D CA 0.628 54.615 54.000 -0.022 0.000 0.812 140 D CB -1.420 39.375 40.800 -0.008 0.000 0.857 140 D HN 0.753 nan 8.370 nan 0.000 0.387 141 D N -0.191 120.196 120.400 -0.021 0.000 4.755 141 D HA 0.022 4.662 4.640 -0.000 0.000 0.197 141 D C 0.131 176.424 176.300 -0.012 0.000 1.031 141 D CA 1.795 55.785 54.000 -0.016 0.000 1.058 141 D CB -0.702 40.087 40.800 -0.018 0.000 0.992 141 D HN 0.780 nan 8.370 nan 0.000 0.549 142 E N 0.563 120.757 120.200 -0.010 0.000 2.432 142 E HA -0.183 4.167 4.350 -0.000 0.000 0.212 142 E C -1.076 175.514 176.600 -0.016 0.000 1.268 142 E CA 0.375 56.768 56.400 -0.011 0.000 0.692 142 E CB -0.541 29.152 29.700 -0.011 0.000 1.169 142 E HN 0.630 nan 8.360 nan 0.000 0.411 143 R N 1.964 122.454 120.500 -0.018 0.000 3.130 143 R HA 0.202 4.542 4.340 -0.000 0.000 0.261 143 R C -0.635 175.644 176.300 -0.035 0.000 1.683 143 R CA -0.740 55.340 56.100 -0.033 0.000 1.095 143 R CB 0.697 30.978 30.300 -0.031 0.000 1.421 143 R HN 0.098 nan 8.270 nan 0.000 0.454 144 I N 4.377 124.918 120.570 -0.048 0.000 2.379 144 I HA 0.130 4.300 4.170 -0.000 0.000 0.290 144 I C 0.997 177.025 176.117 -0.148 0.000 1.063 144 I CA -0.205 61.072 61.300 -0.038 0.000 1.351 144 I CB 0.720 38.715 38.000 -0.008 0.000 1.410 144 I HN 0.205 nan 8.210 nan 0.000 0.505 145 V N 3.882 123.743 119.914 -0.088 0.000 2.994 145 V HA 0.532 4.652 4.120 -0.000 0.000 0.318 145 V C 0.241 176.302 176.094 -0.055 0.000 1.085 145 V CA -0.482 61.684 62.300 -0.223 0.000 0.998 145 V CB 2.098 33.835 31.823 -0.144 0.000 1.063 145 V HN 0.440 nan 8.190 nan 0.000 0.447 146 F N 0.253 120.218 119.950 0.025 0.000 2.656 146 F HA 0.451 4.978 4.527 -0.000 0.000 0.291 146 F C 0.964 176.734 175.800 -0.050 0.000 1.122 146 F CA -0.064 57.970 58.000 0.057 0.000 1.427 146 F CB -0.089 38.934 39.000 0.038 0.000 1.125 146 F HN 0.672 nan 8.300 nan 0.000 0.583 147 N N 0.484 119.155 118.700 -0.048 0.000 2.599 147 N HA 0.185 4.925 4.740 -0.000 0.000 0.283 147 N C -2.246 173.088 175.510 -0.293 0.000 1.160 147 N CA -1.337 51.567 53.050 -0.244 0.000 0.869 147 N CB 1.813 40.260 38.487 -0.067 0.000 1.448 147 N HN -0.201 nan 8.380 nan 0.000 0.535 148 P HA 0.009 nan 4.420 nan 0.000 0.229 148 P C 0.628 177.844 177.300 -0.139 0.000 1.160 148 P CA -0.077 62.862 63.100 -0.269 0.000 0.777 148 P CB 0.684 32.205 31.700 -0.297 0.000 0.814 149 L N 1.507 122.647 121.223 -0.138 0.000 2.559 149 L HA 0.032 4.372 4.340 -0.000 0.000 0.282 149 L C 0.077 176.921 176.870 -0.042 0.000 1.232 149 L CA 1.573 56.374 54.840 -0.064 0.000 0.885 149 L CB -1.215 40.816 42.059 -0.048 0.000 1.131 149 L HN 0.022 nan 8.230 nan 0.000 0.498 153 A N 0.591 123.479 122.820 0.114 0.000 2.485 153 A HA 0.706 5.026 4.320 -0.000 0.000 0.292 153 A C 0.243 177.967 177.584 0.234 0.000 1.147 153 A CA -0.390 51.729 52.037 0.137 0.000 0.750 153 A CB 1.883 20.963 19.000 0.133 0.000 1.331 153 A HN 0.538 nan 8.150 nan 0.000 0.419 154 S N -0.976 114.820 115.700 0.159 0.000 2.505 154 S HA 0.265 4.735 4.470 -0.000 0.000 0.216 154 S C 0.468 175.061 174.600 -0.012 0.000 1.018 154 S CA 0.687 58.993 58.200 0.177 0.000 0.911 154 S CB -0.271 62.978 63.200 0.082 0.000 0.818 154 S HN 0.730 nan 8.310 nan 0.000 0.497 155 K N 0.474 120.812 120.400 -0.103 0.000 2.551 155 K HA 0.565 4.885 4.320 -0.000 0.000 0.269 155 K C -2.091 174.410 176.600 -0.164 0.000 0.949 155 K CA -0.812 55.305 56.287 -0.283 0.000 0.849 155 K CB 1.776 34.179 32.500 -0.160 0.000 1.411 155 K HN 0.245 nan 8.250 nan 0.000 0.432 156 I N 1.510 121.969 120.570 -0.184 0.000 2.722 156 I HA 0.615 4.785 4.170 -0.000 0.000 0.292 156 I C -2.032 174.072 176.117 -0.022 0.000 1.267 156 I CA -0.430 60.846 61.300 -0.039 0.000 1.036 156 I CB 2.064 40.095 38.000 0.052 0.000 1.281 156 I HN 0.791 nan 8.210 nan 0.000 0.423 157 A N 8.225 131.051 122.820 0.011 0.000 2.356 157 A HA 0.850 5.170 4.320 -0.000 0.000 0.310 157 A C -1.304 176.279 177.584 -0.002 0.000 1.075 157 A CA -0.526 51.515 52.037 0.007 0.000 0.746 157 A CB 1.262 20.255 19.000 -0.011 0.000 1.221 157 A HN 0.625 nan 8.150 nan 0.000 0.443 158 I N 1.840 122.390 120.570 -0.033 0.000 2.466 158 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 158 I C -0.357 175.587 176.117 -0.287 0.000 1.026 158 I CA -0.286 60.867 61.300 -0.246 0.000 1.078 158 I CB 2.153 39.943 38.000 -0.350 0.000 1.249 158 I HN 0.701 nan 8.210 nan 0.000 0.429 159 E N 5.543 125.533 120.200 -0.350 0.000 2.197 159 E HA 0.430 4.780 4.350 -0.000 0.000 0.281 159 E C -1.619 174.802 176.600 -0.298 0.000 0.995 159 E CA -0.573 55.717 56.400 -0.183 0.000 0.808 159 E CB 1.733 31.364 29.700 -0.115 0.000 1.093 159 E HN 0.333 nan 8.360 nan 0.000 0.394 160 Y N 0.477 120.756 120.300 -0.036 0.000 2.446 160 Y HA 0.330 4.880 4.550 0.000 0.000 0.338 160 Y C 0.386 176.303 175.900 0.029 0.000 1.055 160 Y CA -0.739 57.361 58.100 0.000 0.000 1.101 160 Y CB 2.102 40.572 38.460 0.017 0.000 1.221 160 Y HN 0.279 nan 8.280 nan 0.000 0.460 161 T N 1.693 116.392 114.554 0.241 0.000 2.807 161 T HA 0.523 4.873 4.350 -0.000 0.000 0.279 161 T C -0.830 174.041 174.700 0.286 0.000 0.993 161 T CA -0.732 61.468 62.100 0.166 0.000 0.970 161 T CB 1.267 70.152 68.868 0.029 0.000 0.950 161 T HN 0.541 nan 8.240 nan 0.000 0.441 162 S N 2.536 118.359 115.700 0.205 0.000 2.548 162 S HA 0.687 5.157 4.470 -0.000 0.000 0.286 162 S C -1.160 173.557 174.600 0.195 0.000 1.098 162 S CA -0.826 57.514 58.200 0.234 0.000 0.930 162 S CB 0.606 63.893 63.200 0.145 0.000 1.070 162 S HN 0.479 nan 8.310 nan 0.000 0.480 163 I N 5.064 125.785 120.570 0.252 0.000 2.312 163 I HA 0.398 4.567 4.170 -0.000 0.000 0.290 163 I C 0.302 176.557 176.117 0.231 0.000 1.008 163 I CA -0.532 60.896 61.300 0.214 0.000 1.226 163 I CB 0.854 38.973 38.000 0.199 0.000 1.371 163 I HN 0.558 nan 8.210 nan 0.000 0.468 164 V N 6.077 126.124 119.914 0.221 0.000 3.019 164 V HA 0.927 5.047 4.120 -0.000 0.000 0.317 164 V C -0.341 175.934 176.094 0.302 0.000 1.094 164 V CA -0.623 61.806 62.300 0.213 0.000 1.000 164 V CB 2.200 34.097 31.823 0.123 0.000 1.060 164 V HN 0.398 nan 8.190 nan 0.000 0.443 165 V N -0.471 119.599 119.914 0.260 0.000 3.007 165 V HA 0.627 4.747 4.120 -0.000 0.000 0.311 165 V C -2.796 173.382 176.094 0.141 0.000 1.120 165 V CA -2.084 60.354 62.300 0.231 0.000 0.980 165 V CB 1.988 34.036 31.823 0.375 0.000 1.033 165 V HN 0.873 nan 8.190 nan 0.000 0.429 166 P HA 0.152 nan 4.420 nan 0.000 0.271 166 P C 0.733 178.093 177.300 0.100 0.000 1.220 166 P CA -0.204 62.935 63.100 0.065 0.000 0.768 166 P CB 1.057 32.778 31.700 0.034 0.000 0.848 167 L N 2.571 123.834 121.223 0.068 0.000 2.349 167 L HA -0.095 4.245 4.340 -0.000 0.000 0.220 167 L C 2.081 179.028 176.870 0.127 0.000 1.130 167 L CA 1.580 56.480 54.840 0.101 0.000 0.791 167 L CB -1.606 40.455 42.059 0.004 0.000 0.918 167 L HN 0.237 nan 8.230 nan 0.000 0.444 168 K N 0.266 120.706 120.400 0.066 0.000 2.026 168 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 168 K C 1.910 178.521 176.600 0.018 0.000 1.048 168 K CA 1.789 58.091 56.287 0.026 0.000 0.929 168 K CB -0.088 32.416 32.500 0.005 0.000 0.713 168 K HN 0.332 nan 8.250 nan 0.000 0.439 169 V N 0.328 120.277 119.914 0.058 0.000 2.379 169 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 169 V C 1.957 178.109 176.094 0.096 0.000 1.044 169 V CA 1.597 63.930 62.300 0.054 0.000 1.036 169 V CB -0.600 31.287 31.823 0.106 0.000 0.664 169 V HN 0.337 nan 8.190 nan 0.000 0.453 170 Y N 1.636 121.978 120.300 0.070 0.000 2.053 170 Y HA -0.219 4.331 4.550 -0.000 0.000 0.277 170 Y C 1.673 177.624 175.900 0.084 0.000 1.159 170 Y CA 1.498 59.669 58.100 0.118 0.000 1.125 170 Y CB -0.334 38.205 38.460 0.131 0.000 0.969 170 Y HN 0.360 nan 8.280 nan 0.000 0.492 174 Y N 2.245 122.432 120.300 -0.188 0.000 2.097 174 Y HA -0.229 4.321 4.550 -0.001 0.000 0.282 174 Y C 1.908 177.830 175.900 0.036 0.000 1.152 174 Y CA 2.739 60.812 58.100 -0.045 0.000 1.136 174 Y CB -0.756 37.552 38.460 -0.254 0.000 0.975 174 Y HN 0.117 nan 8.280 nan 0.000 0.498 175 N N -0.653 118.086 118.700 0.064 0.000 2.018 175 N HA -0.255 4.485 4.740 -0.000 0.000 0.196 175 N C 1.883 177.446 175.510 0.088 0.000 1.043 175 N CA 1.776 54.839 53.050 0.022 0.000 0.856 175 N CB -0.628 37.750 38.487 -0.182 0.000 1.042 175 N HN 0.332 nan 8.380 nan 0.000 0.423 176 F N 1.139 121.095 119.950 0.009 0.000 2.171 176 F HA -0.092 4.435 4.527 -0.001 0.000 0.300 176 F C 2.129 177.923 175.800 -0.010 0.000 1.090 176 F CA 0.273 58.290 58.000 0.029 0.000 1.293 176 F CB -0.159 38.900 39.000 0.099 0.000 1.013 176 F HN 0.012 nan 8.300 nan 0.000 0.486 177 L N -0.154 121.125 121.223 0.092 0.000 2.217 177 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 177 L C 2.481 179.191 176.870 -0.268 0.000 1.107 177 L CA 0.906 55.610 54.840 -0.227 0.000 0.783 177 L CB -0.589 41.116 42.059 -0.590 0.000 0.919 177 L HN 0.210 nan 8.230 nan 0.000 0.442 178 Q N 0.050 119.808 119.800 -0.070 0.000 2.167 178 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 178 Q C 0.927 176.945 176.000 0.030 0.000 0.970 178 Q CA 1.272 57.108 55.803 0.054 0.000 0.855 178 Q CB 0.245 29.009 28.738 0.044 0.000 0.911 178 Q HN 0.447 nan 8.270 nan 0.000 0.438 179 D N -0.888 119.528 120.400 0.027 0.000 2.328 179 D HA 0.031 4.671 4.640 -0.000 0.000 0.221 179 D C 0.550 176.825 176.300 -0.042 0.000 1.072 179 D CA 0.456 54.465 54.000 0.016 0.000 0.850 179 D CB 0.766 41.598 40.800 0.053 0.000 0.922 179 D HN 0.221 nan 8.370 nan 0.000 0.516 180 T N -0.858 113.637 114.554 -0.099 0.000 3.125 180 T HA 0.101 4.451 4.350 -0.000 0.000 0.252 180 T C 0.908 175.480 174.700 -0.214 0.000 0.981 180 T CA -0.087 61.916 62.100 -0.162 0.000 1.069 180 T CB 1.080 69.817 68.868 -0.220 0.000 1.091 180 T HN -0.179 nan 8.240 nan 0.000 0.460 181 V N 4.860 124.595 119.914 -0.299 0.000 2.427 181 V HA 0.167 4.287 4.120 -0.000 0.000 0.268 181 V C 0.645 176.641 176.094 -0.164 0.000 1.046 181 V CA -0.342 61.721 62.300 -0.393 0.000 0.970 181 V CB 0.504 31.932 31.823 -0.659 0.000 1.001 181 V HN 0.459 nan 8.190 nan 0.000 0.476 182 K N 3.083 123.420 120.400 -0.104 0.000 3.192 182 K HA 0.404 4.724 4.320 -0.000 0.000 0.269 182 K C 0.015 176.648 176.600 0.054 0.000 1.270 182 K CA -0.061 56.220 56.287 -0.011 0.000 1.249 182 K CB -0.097 32.399 32.500 -0.008 0.000 1.528 182 K HN 0.666 nan 8.250 nan 0.000 0.360 183 S N -0.549 115.206 115.700 0.093 0.000 2.622 183 S HA 0.323 4.793 4.470 -0.000 0.000 0.275 183 S C -3.187 171.556 174.600 0.238 0.000 1.112 183 S CA -1.324 56.975 58.200 0.165 0.000 0.837 183 S CB 1.281 64.630 63.200 0.249 0.000 1.082 183 S HN 0.160 nan 8.310 nan 0.000 0.456 184 P HA 0.543 nan 4.420 nan 0.000 0.271 184 P C -0.672 176.777 177.300 0.249 0.000 1.233 184 P CA -0.107 63.053 63.100 0.100 0.000 0.789 184 P CB -0.104 31.616 31.700 0.033 0.000 0.951 185 F N -2.679 117.332 119.950 0.102 0.000 2.831 185 F HA 0.598 5.125 4.527 -0.000 0.000 0.318 185 F C -1.395 174.502 175.800 0.162 0.000 1.174 185 F CA -1.182 56.904 58.000 0.143 0.000 0.918 185 F CB 1.172 40.230 39.000 0.097 0.000 1.364 185 F HN 0.183 nan 8.300 nan 0.000 0.475 186 Q N 1.564 121.602 119.800 0.397 0.000 2.304 186 Q HA 0.508 4.848 4.340 -0.000 0.000 0.270 186 Q C -1.663 174.582 176.000 0.409 0.000 1.035 186 Q CA -1.082 54.907 55.803 0.310 0.000 0.781 186 Q CB 2.698 31.553 28.738 0.196 0.000 1.261 186 Q HN 0.462 nan 8.270 nan 0.000 0.444 187 L N 2.406 123.905 121.223 0.460 0.000 2.417 187 L HA 0.450 4.790 4.340 -0.000 0.000 0.268 187 L C 0.014 177.066 176.870 0.302 0.000 1.158 187 L CA 0.573 55.680 54.840 0.444 0.000 0.819 187 L CB 0.405 42.776 42.059 0.521 0.000 1.112 187 L HN 0.559 nan 8.230 nan 0.000 0.458 188 K N 0.219 120.749 120.400 0.217 0.000 2.536 188 K HA 0.337 4.657 4.320 -0.000 0.000 0.269 188 K C -0.949 175.603 176.600 -0.080 0.000 0.965 188 K CA -0.724 55.589 56.287 0.043 0.000 0.860 188 K CB 2.257 34.808 32.500 0.084 0.000 1.423 188 K HN 0.508 nan 8.250 nan 0.000 0.438 189 S N 0.402 116.056 115.700 -0.076 0.000 2.510 189 S HA 0.008 4.478 4.470 -0.000 0.000 0.279 189 S C 1.087 175.470 174.600 -0.361 0.000 1.284 189 S CA -0.048 57.699 58.200 -0.756 0.000 1.059 189 S CB 0.949 63.463 63.200 -1.143 0.000 0.901 189 S HN 0.634 nan 8.310 nan 0.000 0.491 190 S N 4.194 119.708 115.700 -0.311 0.000 2.423 190 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 190 S C 1.618 176.176 174.600 -0.070 0.000 1.014 190 S CA 0.746 58.886 58.200 -0.099 0.000 0.965 190 S CB -0.414 62.774 63.200 -0.019 0.000 0.785 190 S HN 0.801 nan 8.310 nan 0.000 0.495 191 L N 0.824 121.979 121.223 -0.114 0.000 2.109 191 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 191 L C 2.129 178.958 176.870 -0.068 0.000 1.086 191 L CA 1.035 55.848 54.840 -0.045 0.000 0.760 191 L CB -0.254 41.811 42.059 0.010 0.000 0.910 191 L HN 0.238 nan 8.230 nan 0.000 0.437 192 V N -1.117 118.686 119.914 -0.185 0.000 2.379 192 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 192 V C 2.548 178.601 176.094 -0.068 0.000 1.044 192 V CA 1.784 63.975 62.300 -0.182 0.000 1.036 192 V CB -0.123 31.339 31.823 -0.601 0.000 0.664 192 V HN 0.372 nan 8.190 nan 0.000 0.453 193 S N -0.143 115.533 115.700 -0.040 0.000 2.382 193 S HA -0.193 4.277 4.470 -0.000 0.000 0.228 193 S C 2.103 176.745 174.600 0.069 0.000 1.027 193 S CA 1.900 60.143 58.200 0.071 0.000 0.991 193 S CB -0.396 62.869 63.200 0.108 0.000 0.823 193 S HN 0.685 nan 8.310 nan 0.000 0.469 194 T N 2.557 117.135 114.554 0.039 0.000 2.652 194 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 194 T C 2.169 176.874 174.700 0.008 0.000 1.039 194 T CA 1.362 63.488 62.100 0.043 0.000 1.153 194 T CB -0.615 68.270 68.868 0.029 0.000 0.863 194 T HN 0.473 nan 8.240 nan 0.000 0.428 195 A N 1.898 124.706 122.820 -0.020 0.000 1.883 195 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 195 A C 2.258 179.740 177.584 -0.170 0.000 1.186 195 A CA 1.455 53.421 52.037 -0.119 0.000 0.624 195 A CB -0.506 18.437 19.000 -0.095 0.000 0.822 195 A HN 0.349 nan 8.150 nan 0.000 0.444 196 E N -0.572 119.594 120.200 -0.058 0.000 2.265 196 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 196 E C 1.767 178.366 176.600 -0.003 0.000 0.996 196 E CA 1.045 57.439 56.400 -0.010 0.000 0.832 196 E CB -0.480 29.295 29.700 0.125 0.000 0.756 196 E HN 0.611 nan 8.360 nan 0.000 0.491 197 G N 0.344 109.161 108.800 0.029 0.000 3.126 197 G HA2 0.102 4.062 3.960 -0.000 0.000 0.224 197 G HA3 0.102 4.062 3.960 -0.000 0.000 0.224 197 G C 1.387 176.264 174.900 -0.037 0.000 1.142 197 G CA 0.563 45.708 45.100 0.076 0.000 0.759 197 G HN 0.251 nan 8.290 nan 0.000 0.550 198 V N -3.527 116.325 119.914 -0.102 0.000 3.431 198 V HA 0.454 4.574 4.120 -0.000 0.000 0.255 198 V C 0.751 176.733 176.094 -0.187 0.000 1.403 198 V CA -0.336 61.877 62.300 -0.145 0.000 1.101 198 V CB -0.177 31.594 31.823 -0.086 0.000 0.891 198 V HN -0.034 nan 8.190 nan 0.000 0.446 199 L N 2.754 123.852 121.223 -0.208 0.000 2.476 199 L HA 0.629 4.969 4.340 -0.000 0.000 0.255 199 L C 0.773 177.514 176.870 -0.215 0.000 1.218 199 L CA 1.374 56.076 54.840 -0.230 0.000 0.819 199 L CB 0.963 42.819 42.059 -0.338 0.000 1.119 199 L HN 0.733 nan 8.230 nan 0.000 0.485 200 T N -3.735 110.708 114.554 -0.185 0.000 2.908 200 T HA 0.360 4.710 4.350 -0.000 0.000 0.290 200 T C 0.951 175.573 174.700 -0.130 0.000 1.034 200 T CA -0.320 61.685 62.100 -0.158 0.000 1.010 200 T CB 1.164 69.950 68.868 -0.137 0.000 1.068 200 T HN 0.516 nan 8.240 nan 0.000 0.481 201 T N 2.581 117.073 114.554 -0.104 0.000 2.665 201 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 201 T C -0.643 174.016 174.700 -0.069 0.000 1.035 201 T CA 1.862 63.919 62.100 -0.072 0.000 1.151 201 T CB -1.211 67.624 68.868 -0.055 0.000 0.862 201 T HN 0.672 nan 8.240 nan 0.000 0.438 202 P HA -0.068 nan 4.420 nan 0.000 0.218 202 P C 1.256 178.516 177.300 -0.067 0.000 1.149 202 P CA 1.222 64.283 63.100 -0.066 0.000 0.817 202 P CB 0.055 31.718 31.700 -0.063 0.000 0.785 203 E N 0.507 120.659 120.200 -0.080 0.000 2.028 203 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 203 E C 2.117 178.671 176.600 -0.077 0.000 0.984 203 E CA 1.061 57.411 56.400 -0.084 0.000 0.800 203 E CB -0.199 29.436 29.700 -0.108 0.000 0.758 203 E HN 0.276 nan 8.360 nan 0.000 0.448 204 K N 0.661 121.005 120.400 -0.093 0.000 2.211 204 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 204 K C 1.679 178.290 176.600 0.019 0.000 1.047 204 K CA 1.147 57.412 56.287 -0.037 0.000 0.935 204 K CB -0.009 32.468 32.500 -0.039 0.000 0.728 204 K HN 0.091 nan 8.250 nan 0.000 0.452 205 D N 0.877 121.262 120.400 -0.025 0.000 2.146 205 D HA -0.039 4.601 4.640 -0.000 0.000 0.209 205 D C 1.879 178.152 176.300 -0.046 0.000 0.973 205 D CA 1.034 55.012 54.000 -0.036 0.000 0.860 205 D CB 0.186 40.951 40.800 -0.057 0.000 1.015 205 D HN 0.017 nan 8.370 nan 0.000 0.465 206 R N -0.504 119.965 120.500 -0.052 0.000 2.148 206 R HA 0.192 4.532 4.340 -0.000 0.000 0.227 206 R C 0.626 176.890 176.300 -0.060 0.000 1.103 206 R CA 0.926 56.994 56.100 -0.055 0.000 0.983 206 R CB 0.041 30.310 30.300 -0.052 0.000 0.874 206 R HN 0.243 nan 8.270 nan 0.000 0.451 207 G N -0.291 108.474 108.800 -0.057 0.000 3.088 207 G HA2 0.112 4.072 3.960 -0.000 0.000 0.620 207 G HA3 0.112 4.072 3.960 -0.000 0.000 0.620 207 G C -1.205 173.648 174.900 -0.077 0.000 1.375 207 G CA -1.040 44.017 45.100 -0.072 0.000 1.016 207 G HN 0.029 nan 8.290 nan 0.000 0.590 208 V N 1.455 121.332 119.914 -0.062 0.000 3.077 208 V HA 0.763 4.883 4.120 -0.000 0.000 0.299 208 V C -0.175 175.899 176.094 -0.035 0.000 1.276 208 V CA -0.992 61.270 62.300 -0.063 0.000 0.993 208 V CB 2.174 33.957 31.823 -0.067 0.000 1.076 208 V HN 1.094 nan 8.190 nan 0.000 0.434 209 V N 2.884 122.774 119.914 -0.040 0.000 2.495 209 V HA 0.585 4.705 4.120 -0.000 0.000 0.298 209 V C -0.483 175.631 176.094 0.034 0.000 1.031 209 V CA -0.656 61.659 62.300 0.026 0.000 0.871 209 V CB 2.052 33.873 31.823 -0.003 0.000 0.988 209 V HN 0.608 nan 8.190 nan 0.000 0.432 210 V N 5.453 125.408 119.914 0.068 0.000 2.384 210 V HA 0.416 4.536 4.120 -0.000 0.000 0.287 210 V C -0.281 175.837 176.094 0.041 0.000 1.020 210 V CA -0.453 61.869 62.300 0.037 0.000 0.850 210 V CB 1.949 33.787 31.823 0.024 0.000 0.987 210 V HN 0.619 nan 8.190 nan 0.000 0.436 211 V N 4.926 124.866 119.914 0.044 0.000 2.293 211 V HA 0.320 4.440 4.120 -0.000 0.000 0.275 211 V C 0.094 176.228 176.094 0.066 0.000 1.021 211 V CA -0.705 61.629 62.300 0.058 0.000 0.815 211 V CB 1.278 33.166 31.823 0.108 0.000 1.025 211 V HN 0.894 nan 8.190 nan 0.000 0.448 212 N N 5.307 124.041 118.700 0.057 0.000 2.406 212 N HA 0.224 4.964 4.740 -0.000 0.000 0.251 212 N C -0.201 175.333 175.510 0.039 0.000 1.069 212 N CA -0.492 52.585 53.050 0.045 0.000 0.947 212 N CB 0.705 39.213 38.487 0.035 0.000 1.111 212 N HN 0.435 nan 8.380 nan 0.000 0.497 213 L N 3.502 124.751 121.223 0.044 0.000 2.437 213 L HA 0.298 4.638 4.340 -0.000 0.000 0.243 213 L C 1.389 178.269 176.870 0.016 0.000 1.346 213 L CA -0.001 54.865 54.840 0.043 0.000 1.233 213 L CB -1.286 40.807 42.059 0.058 0.000 1.436 213 L HN 0.590 nan 8.230 nan 0.000 0.416 214 G N -0.594 108.174 108.800 -0.054 0.000 2.611 214 G HA2 0.011 3.971 3.960 -0.000 0.000 0.273 214 G HA3 0.011 3.971 3.960 -0.000 0.000 0.273 214 G C 0.540 175.416 174.900 -0.040 0.000 1.305 214 G CA -0.159 44.881 45.100 -0.100 0.000 1.010 214 G HN 0.445 nan 8.290 nan 0.000 0.509 215 Y N -0.164 120.043 120.300 -0.155 0.000 2.114 215 Y HA -0.085 4.465 4.550 -0.000 0.000 0.284 215 Y C 2.707 178.557 175.900 -0.083 0.000 1.119 215 Y CA 2.334 60.378 58.100 -0.094 0.000 1.108 215 Y CB -0.205 38.205 38.460 -0.084 0.000 0.995 215 Y HN 0.557 nan 8.280 nan 0.000 0.491 216 N N -1.171 117.455 118.700 -0.123 0.000 2.415 216 N HA 0.101 4.841 4.740 -0.000 0.000 0.176 216 N C -0.895 174.744 175.510 0.215 0.000 1.042 216 N CA 0.676 53.699 53.050 -0.045 0.000 0.902 216 N CB 0.275 38.876 38.487 0.191 0.000 0.986 216 N HN 0.314 nan 8.380 nan 0.000 0.447 217 F N -3.112 116.907 119.950 0.114 0.000 2.831 217 F HA 0.515 5.042 4.527 -0.000 0.000 0.318 217 F C -1.406 174.483 175.800 0.149 0.000 1.174 217 F CA -1.256 56.844 58.000 0.167 0.000 0.918 217 F CB 1.031 40.141 39.000 0.183 0.000 1.364 217 F HN -0.444 nan 8.300 nan 0.000 0.475 218 T N 1.222 116.030 114.554 0.424 0.000 2.772 218 T HA 0.615 4.965 4.350 -0.000 0.000 0.288 218 T C 0.113 175.076 174.700 0.438 0.000 0.994 218 T CA -0.415 61.839 62.100 0.257 0.000 0.951 218 T CB 1.000 69.980 68.868 0.186 0.000 0.933 218 T HN 1.031 nan 8.240 nan 0.000 0.447 219 G N 2.761 111.754 108.800 0.321 0.000 2.415 219 G HA2 0.607 4.567 3.960 -0.000 0.000 0.269 219 G HA3 0.607 4.567 3.960 -0.000 0.000 0.269 219 G C -0.789 174.170 174.900 0.099 0.000 1.209 219 G CA -0.530 44.786 45.100 0.361 0.000 0.835 219 G HN 0.671 nan 8.290 nan 0.000 0.534 220 L N 2.118 123.311 121.223 -0.050 0.000 2.381 220 L HA 0.633 4.973 4.340 -0.000 0.000 0.274 220 L C -0.462 176.247 176.870 -0.269 0.000 0.988 220 L CA -0.677 53.937 54.840 -0.378 0.000 0.824 220 L CB 2.079 43.469 42.059 -1.116 0.000 1.263 220 L HN 0.457 nan 8.230 nan 0.000 0.410 221 I N 2.305 122.857 120.570 -0.030 0.000 2.752 221 I HA 0.805 4.975 4.170 -0.000 0.000 0.295 221 I C -1.275 175.013 176.117 0.284 0.000 1.219 221 I CA -0.310 61.085 61.300 0.159 0.000 1.030 221 I CB 2.097 40.173 38.000 0.128 0.000 1.259 221 I HN 0.702 nan 8.210 nan 0.000 0.423 222 A N 5.877 128.860 122.820 0.272 0.000 2.371 222 A HA 0.788 5.107 4.320 -0.000 0.000 0.311 222 A C -2.040 175.593 177.584 0.081 0.000 1.068 222 A CA -0.286 51.857 52.037 0.178 0.000 0.744 222 A CB 1.078 20.097 19.000 0.032 0.000 1.239 222 A HN 0.619 nan 8.150 nan 0.000 0.435 223 Y N 0.728 120.966 120.300 -0.104 0.000 2.487 223 Y HA 0.758 5.308 4.550 -0.000 0.000 0.337 223 Y C 0.213 176.033 175.900 -0.133 0.000 1.076 223 Y CA -0.596 57.422 58.100 -0.136 0.000 1.115 223 Y CB 2.394 40.775 38.460 -0.131 0.000 1.235 223 Y HN 0.684 nan 8.280 nan 0.000 0.468 224 K N 1.416 121.815 120.400 -0.002 0.000 2.570 224 K HA 0.311 4.631 4.320 -0.000 0.000 0.256 224 K C -1.170 175.400 176.600 -0.051 0.000 0.939 224 K CA -0.652 55.610 56.287 -0.042 0.000 0.833 224 K CB 0.539 32.986 32.500 -0.087 0.000 1.318 224 K HN 0.675 nan 8.250 nan 0.000 0.433 225 N N 3.243 121.920 118.700 -0.038 0.000 2.758 225 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 225 N C 0.499 176.000 175.510 -0.016 0.000 1.076 225 N CA 0.940 53.966 53.050 -0.041 0.000 0.696 225 N CB -0.944 37.514 38.487 -0.049 0.000 0.979 225 N HN 1.086 nan 8.380 nan 0.000 0.550 226 G N -2.155 106.661 108.800 0.027 0.000 2.245 226 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 226 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 226 G C 0.229 175.200 174.900 0.118 0.000 0.985 226 G CA 0.922 46.075 45.100 0.089 0.000 0.625 226 G HN 1.237 nan 8.290 nan 0.000 0.536 227 V N -3.029 116.841 119.914 -0.074 0.000 3.126 227 V HA 0.944 5.064 4.120 -0.000 0.000 0.314 227 V C -2.557 173.012 176.094 -0.875 0.000 1.138 227 V CA -2.354 59.661 62.300 -0.476 0.000 1.034 227 V CB 2.371 33.959 31.823 -0.391 0.000 1.075 227 V HN 0.114 nan 8.190 nan 0.000 0.442 228 P HA 0.369 nan 4.420 nan 0.000 0.280 228 P C 0.502 177.453 177.300 -0.582 0.000 1.244 228 P CA -0.071 62.280 63.100 -1.247 0.000 0.784 228 P CB 1.195 32.173 31.700 -1.203 0.000 0.913 229 I N -0.371 119.979 120.570 -0.366 0.000 4.070 229 I HA 0.408 4.578 4.170 -0.000 0.000 0.328 229 I C 0.511 176.542 176.117 -0.144 0.000 1.298 229 I CA 0.151 61.319 61.300 -0.220 0.000 1.173 229 I CB 0.259 38.150 38.000 -0.182 0.000 1.051 229 I HN 0.182 nan 8.210 nan 0.000 0.409 230 K N 1.428 121.768 120.400 -0.100 0.000 2.562 230 K HA 0.639 4.959 4.320 -0.000 0.000 0.267 230 K C -2.059 174.656 176.600 0.191 0.000 0.938 230 K CA -0.695 55.614 56.287 0.038 0.000 0.840 230 K CB 3.280 35.764 32.500 -0.027 0.000 1.390 230 K HN 0.215 nan 8.250 nan 0.000 0.428 231 I N 2.288 122.996 120.570 0.230 0.000 2.722 231 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 231 I C -1.184 175.035 176.117 0.169 0.000 1.267 231 I CA -0.026 61.380 61.300 0.176 0.000 1.036 231 I CB 1.999 40.057 38.000 0.096 0.000 1.281 231 I HN 0.978 nan 8.210 nan 0.000 0.423 232 S N 5.336 121.057 115.700 0.036 0.000 3.047 232 S HA 0.678 5.148 4.470 -0.000 0.000 0.308 232 S C -1.201 173.465 174.600 0.110 0.000 1.245 232 S CA -0.358 57.892 58.200 0.084 0.000 1.109 232 S CB 1.424 64.619 63.200 -0.009 0.000 1.417 232 S HN 1.071 nan 8.310 nan 0.000 0.555 233 Y N -2.261 117.950 120.300 -0.149 0.000 2.925 233 Y HA 0.789 5.339 4.550 0.000 0.000 0.349 233 Y C -2.148 173.736 175.900 -0.027 0.000 1.342 233 Y CA -1.480 56.582 58.100 -0.064 0.000 1.093 233 Y CB 0.656 39.067 38.460 -0.083 0.000 1.571 233 Y HN 0.641 nan 8.280 nan 0.000 0.438 234 V N 1.857 121.823 119.914 0.087 0.000 2.577 234 V HA 0.402 4.522 4.120 -0.000 0.000 0.303 234 V C -2.172 174.099 176.094 0.295 0.000 1.042 234 V CA -1.882 60.426 62.300 0.014 0.000 0.872 234 V CB 2.366 34.223 31.823 0.055 0.000 0.998 234 V HN 0.716 nan 8.190 nan 0.000 0.423 235 P HA 0.029 nan 4.420 nan 0.000 0.285 235 P C -0.275 177.122 177.300 0.162 0.000 1.521 235 P CA 0.423 63.698 63.100 0.292 0.000 0.792 235 P CB 0.079 31.892 31.700 0.188 0.000 1.613 236 V N -0.352 119.665 119.914 0.171 0.000 2.525 236 V HA 0.720 4.840 4.120 -0.000 0.000 0.299 236 V C 0.581 176.831 176.094 0.260 0.000 1.034 236 V CA -0.519 61.823 62.300 0.070 0.000 0.863 236 V CB 1.861 33.662 31.823 -0.037 0.000 0.999 236 V HN 0.223 nan 8.190 nan 0.000 0.423 240 H N 0.740 119.740 119.070 -0.117 0.000 2.436 240 H HA 0.040 4.596 4.556 -0.000 0.000 0.294 240 H C 2.038 177.343 175.328 -0.038 0.000 1.048 240 H CA 1.589 57.610 56.048 -0.045 0.000 1.353 240 H CB 0.365 30.110 29.762 -0.029 0.000 1.414 240 H HN -0.013 nan 8.280 nan 0.000 0.536 241 V N 1.250 121.186 119.914 0.038 0.000 2.427 241 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 241 V C 2.599 178.665 176.094 -0.047 0.000 1.051 241 V CA 1.261 63.564 62.300 0.004 0.000 1.048 241 V CB -0.432 31.390 31.823 -0.003 0.000 0.666 241 V HN 0.248 nan 8.190 nan 0.000 0.456 242 I N -0.479 120.028 120.570 -0.104 0.000 2.315 242 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 242 I C 2.548 178.578 176.117 -0.146 0.000 1.117 242 I CA 1.445 62.610 61.300 -0.226 0.000 1.404 242 I CB -0.372 37.340 38.000 -0.478 0.000 1.071 242 I HN 0.223 nan 8.210 nan 0.000 0.419 243 K N 0.661 121.051 120.400 -0.016 0.000 2.057 243 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 243 K C 1.667 178.286 176.600 0.032 0.000 1.049 243 K CA 1.795 58.122 56.287 0.067 0.000 0.931 243 K CB -0.184 32.379 32.500 0.105 0.000 0.714 243 K HN 0.230 nan 8.250 nan 0.000 0.440 244 D N 0.257 120.668 120.400 0.018 0.000 2.104 244 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 244 D C 1.854 178.140 176.300 -0.022 0.000 0.994 244 D CA 0.977 54.981 54.000 0.006 0.000 0.830 244 D CB -0.207 40.597 40.800 0.007 0.000 0.959 244 D HN -0.089 nan 8.370 nan 0.000 0.452 245 V N 0.309 120.191 119.914 -0.053 0.000 2.407 245 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 245 V C 2.346 178.391 176.094 -0.082 0.000 1.055 245 V CA 1.672 63.921 62.300 -0.085 0.000 1.049 245 V CB -0.458 31.293 31.823 -0.120 0.000 0.662 245 V HN 0.151 nan 8.190 nan 0.000 0.455 246 S N 0.042 115.706 115.700 -0.059 0.000 2.402 246 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 246 S C 2.184 176.796 174.600 0.020 0.000 1.021 246 S CA 1.264 59.457 58.200 -0.012 0.000 0.974 246 S CB -0.342 62.878 63.200 0.033 0.000 0.800 246 S HN 0.648 nan 8.310 nan 0.000 0.484 247 A N 1.172 124.003 122.820 0.019 0.000 1.873 247 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 247 A C 2.308 179.903 177.584 0.018 0.000 1.186 247 A CA 1.371 53.424 52.037 0.027 0.000 0.616 247 A CB -0.866 18.151 19.000 0.028 0.000 0.823 247 A HN 0.336 nan 8.150 nan 0.000 0.442 248 V N -0.352 119.562 119.914 -0.001 0.000 2.407 248 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 248 V C 0.451 176.549 176.094 0.007 0.000 1.055 248 V CA 0.935 63.232 62.300 -0.006 0.000 1.049 248 V CB -0.826 30.980 31.823 -0.028 0.000 0.662 248 V HN 0.360 nan 8.190 nan 0.000 0.455 249 L N 0.341 121.562 121.223 -0.003 0.000 2.296 249 L HA 0.433 4.773 4.340 -0.000 0.000 0.286 249 L C 0.675 177.613 176.870 0.113 0.000 1.023 249 L CA -0.259 54.612 54.840 0.051 0.000 0.812 249 L CB 0.900 42.881 42.059 -0.130 0.000 1.223 249 L HN -0.029 nan 8.230 nan 0.000 0.421 250 D N 0.235 120.731 120.400 0.161 0.000 2.417 250 D HA -0.120 4.520 4.640 -0.000 0.000 0.225 250 D C 1.088 177.487 176.300 0.164 0.000 0.983 250 D CA 0.588 54.668 54.000 0.132 0.000 0.949 250 D CB -0.112 40.748 40.800 0.100 0.000 0.879 250 D HN 0.614 nan 8.370 nan 0.000 0.520 251 T N -0.372 114.328 114.554 0.243 0.000 2.734 251 T HA 0.148 4.498 4.350 -0.000 0.000 0.314 251 T C 0.744 175.527 174.700 0.138 0.000 1.057 251 T CA -0.353 61.892 62.100 0.241 0.000 1.047 251 T CB 0.560 69.567 68.868 0.232 0.000 0.991 251 T HN 0.172 nan 8.240 nan 0.000 0.540 252 S N 2.262 118.046 115.700 0.141 0.000 2.655 252 S HA 0.295 4.765 4.470 -0.000 0.000 0.265 252 S C 0.943 175.633 174.600 0.150 0.000 1.240 252 S CA -0.707 57.579 58.200 0.143 0.000 0.986 252 S CB 0.352 63.637 63.200 0.140 0.000 0.985 252 S HN 0.698 nan 8.310 nan 0.000 0.562 253 F N 1.145 121.123 119.950 0.046 0.000 2.186 253 F HA 0.024 4.552 4.527 0.000 0.000 0.299 253 F C 2.216 178.044 175.800 0.048 0.000 1.090 253 F CA 1.741 59.767 58.000 0.042 0.000 1.307 253 F CB -0.487 38.537 39.000 0.041 0.000 1.019 253 F HN 0.800 nan 8.300 nan 0.000 0.489 254 E N -0.177 120.211 120.200 0.313 0.000 2.047 254 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 254 E C 2.096 178.737 176.600 0.068 0.000 0.987 254 E CA 1.236 57.759 56.400 0.205 0.000 0.799 254 E CB -0.305 29.506 29.700 0.185 0.000 0.752 254 E HN 0.426 nan 8.360 nan 0.000 0.449 255 E N 0.593 120.838 120.200 0.074 0.000 2.153 255 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 255 E C 2.160 178.751 176.600 -0.016 0.000 0.988 255 E CA 0.598 57.036 56.400 0.064 0.000 0.811 255 E CB -0.160 29.616 29.700 0.127 0.000 0.746 255 E HN 0.058 nan 8.360 nan 0.000 0.466 256 S N 0.669 116.315 115.700 -0.090 0.000 2.356 256 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 256 S C 1.966 176.451 174.600 -0.191 0.000 1.032 256 S CA 1.608 59.701 58.200 -0.178 0.000 1.005 256 S CB -0.047 63.002 63.200 -0.251 0.000 0.867 256 S HN 0.299 nan 8.310 nan 0.000 0.449 257 E N 0.664 120.717 120.200 -0.247 0.000 2.072 257 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 257 E C 2.440 179.014 176.600 -0.043 0.000 0.985 257 E CA 0.735 57.036 56.400 -0.165 0.000 0.801 257 E CB -0.234 29.376 29.700 -0.149 0.000 0.750 257 E HN 0.446 nan 8.360 nan 0.000 0.452 258 R N 0.602 121.096 120.500 -0.011 0.000 2.083 258 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 258 R C 2.421 178.737 176.300 0.026 0.000 1.137 258 R CA 1.421 57.537 56.100 0.026 0.000 0.951 258 R CB -0.378 29.953 30.300 0.052 0.000 0.851 258 R HN 0.270 nan 8.270 nan 0.000 0.434 259 L N 0.450 121.695 121.223 0.036 0.000 2.017 259 L HA -0.200 4.139 4.340 -0.000 0.000 0.208 259 L C 2.615 179.522 176.870 0.063 0.000 1.073 259 L CA 1.308 56.209 54.840 0.101 0.000 0.745 259 L CB -0.413 41.653 42.059 0.012 0.000 0.894 259 L HN 0.256 nan 8.230 nan 0.000 0.432 260 I N -0.016 120.556 120.570 0.002 0.000 2.127 260 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 260 I C 2.447 178.570 176.117 0.009 0.000 1.075 260 I CA 1.680 62.981 61.300 0.002 0.000 1.334 260 I CB -0.238 37.747 38.000 -0.026 0.000 1.040 260 I HN 0.197 nan 8.210 nan 0.000 0.405 261 I N 0.386 120.957 120.570 0.002 0.000 2.286 261 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 261 I C 2.598 178.686 176.117 -0.047 0.000 1.115 261 I CA 2.014 63.314 61.300 -0.000 0.000 1.392 261 I CB -0.541 37.471 38.000 0.020 0.000 1.065 261 I HN 0.432 nan 8.210 nan 0.000 0.418 262 T N -3.833 110.656 114.554 -0.110 0.000 3.037 262 T HA 0.036 4.386 4.350 -0.000 0.000 0.252 262 T C 1.501 175.924 174.700 -0.461 0.000 1.073 262 T CA 0.509 62.432 62.100 -0.293 0.000 1.091 262 T CB 0.009 68.626 68.868 -0.419 0.000 0.935 262 T HN 0.319 nan 8.240 nan 0.000 0.488 263 H N 0.146 119.222 119.070 0.009 0.000 3.440 263 H HA 0.389 4.945 4.556 -0.000 0.000 0.259 263 H C 1.436 176.771 175.328 0.011 0.000 1.120 263 H CA -0.181 55.873 56.048 0.010 0.000 1.191 263 H CB 0.135 29.899 29.762 0.004 0.000 1.537 263 H HN 0.478 nan 8.280 nan 0.000 0.547 264 G N 1.282 110.141 108.800 0.099 0.000 2.559 264 G HA2 0.127 4.087 3.960 -0.000 0.000 0.235 264 G HA3 0.127 4.087 3.960 -0.000 0.000 0.235 264 G C -0.188 174.754 174.900 0.070 0.000 1.266 264 G CA 0.004 45.147 45.100 0.073 0.000 0.847 264 G HN 0.353 nan 8.290 nan 0.000 0.583 265 N N -1.119 117.628 118.700 0.079 0.000 2.367 265 N HA 0.469 5.209 4.740 -0.000 0.000 0.278 265 N C 0.556 176.130 175.510 0.106 0.000 1.117 265 N CA -0.110 52.987 53.050 0.078 0.000 0.867 265 N CB 1.529 40.061 38.487 0.075 0.000 1.649 265 N HN 0.456 nan 8.380 nan 0.000 0.479 266 A N 1.444 124.320 122.820 0.093 0.000 2.238 266 A HA 0.282 4.602 4.320 -0.000 0.000 0.208 266 A C -0.223 177.486 177.584 0.209 0.000 1.177 266 A CA 0.504 52.617 52.037 0.128 0.000 0.804 266 A CB 0.086 19.123 19.000 0.062 0.000 0.823 266 A HN 0.317 nan 8.150 nan 0.000 0.482 267 V N 0.718 120.697 119.914 0.108 0.000 2.419 267 V HA 0.216 4.336 4.120 -0.000 0.000 0.287 267 V C 0.196 176.248 176.094 -0.071 0.000 1.017 267 V CA -0.587 61.694 62.300 -0.031 0.000 0.844 267 V CB 0.852 32.635 31.823 -0.066 0.000 1.011 267 V HN 0.593 nan 8.190 nan 0.000 0.429 268 Y N 3.541 123.789 120.300 -0.087 0.000 2.476 268 Y HA 0.023 4.573 4.550 -0.000 0.000 0.283 268 Y C 1.829 177.679 175.900 -0.084 0.000 1.109 268 Y CA 0.986 59.038 58.100 -0.078 0.000 1.246 268 Y CB -0.767 37.635 38.460 -0.096 0.000 1.068 268 Y HN 0.644 nan 8.280 nan 0.000 0.552 269 N N 1.469 119.730 118.700 -0.731 0.000 2.322 269 N HA -0.277 4.463 4.740 -0.000 0.000 0.189 269 N C 0.383 175.819 175.510 -0.124 0.000 1.012 269 N CA 1.628 54.453 53.050 -0.375 0.000 0.880 269 N CB -0.598 37.596 38.487 -0.489 0.000 0.967 269 N HN 0.694 nan 8.380 nan 0.000 0.439 270 D N -1.311 119.028 120.400 -0.102 0.000 2.479 270 D HA 0.163 4.803 4.640 -0.000 0.000 0.218 270 D C -0.330 175.963 176.300 -0.013 0.000 1.177 270 D CA -0.540 53.431 54.000 -0.048 0.000 0.830 270 D CB 0.140 40.907 40.800 -0.056 0.000 1.014 270 D HN 0.004 nan 8.370 nan 0.000 0.503 271 L N 1.114 122.343 121.223 0.010 0.000 2.436 271 L HA 0.320 4.660 4.340 -0.000 0.000 0.265 271 L C 0.794 177.680 176.870 0.026 0.000 1.168 271 L CA -0.222 54.634 54.840 0.027 0.000 0.815 271 L CB 0.553 42.642 42.059 0.050 0.000 1.109 271 L HN -0.040 nan 8.230 nan 0.000 0.462 272 K N 1.694 122.107 120.400 0.022 0.000 2.185 272 K HA 0.136 4.456 4.320 -0.000 0.000 0.271 272 K C 0.237 176.846 176.600 0.016 0.000 1.013 272 K CA -0.484 55.813 56.287 0.017 0.000 0.943 272 K CB 0.703 33.212 32.500 0.014 0.000 0.998 272 K HN 0.428 nan 8.250 nan 0.000 0.468 273 E N 2.636 122.844 120.200 0.012 0.000 2.322 273 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 273 E C -0.202 176.398 176.600 0.001 0.000 1.198 273 E CA 0.143 56.547 56.400 0.007 0.000 1.132 273 E CB -0.304 29.400 29.700 0.007 0.000 1.213 273 E HN 0.539 nan 8.360 nan 0.000 0.450 274 E N 0.747 120.947 120.200 0.001 0.000 2.437 274 E HA 0.032 4.382 4.350 -0.000 0.000 0.263 274 E C -0.386 176.205 176.600 -0.017 0.000 1.030 274 E CA 0.131 56.528 56.400 -0.004 0.000 0.934 274 E CB 0.701 30.401 29.700 0.001 0.000 0.943 274 E HN 0.026 nan 8.360 nan 0.000 0.444 275 E N 1.982 122.174 120.200 -0.014 0.000 2.383 275 E HA 0.262 4.612 4.350 -0.000 0.000 0.264 275 E C -0.366 176.208 176.600 -0.043 0.000 1.050 275 E CA -0.030 56.360 56.400 -0.016 0.000 0.896 275 E CB 0.822 30.520 29.700 -0.004 0.000 0.982 275 E HN 0.404 nan 8.360 nan 0.000 0.424 276 I N 2.500 123.042 120.570 -0.048 0.000 2.534 276 I HA 0.153 4.323 4.170 -0.000 0.000 0.288 276 I C -0.280 175.863 176.117 0.043 0.000 1.077 276 I CA -0.612 60.628 61.300 -0.100 0.000 1.051 276 I CB 1.793 39.632 38.000 -0.268 0.000 1.234 276 I HN 0.344 nan 8.210 nan 0.000 0.425 277 Q N 5.118 124.955 119.800 0.061 0.000 2.205 277 Q HA 0.624 4.964 4.340 -0.000 0.000 0.249 277 Q C -1.602 174.534 176.000 0.226 0.000 0.948 277 Q CA -0.723 55.142 55.803 0.103 0.000 0.895 277 Q CB 2.426 31.180 28.738 0.028 0.000 1.249 277 Q HN 0.564 nan 8.270 nan 0.000 0.458 278 Y N -2.725 117.575 120.300 -0.000 0.000 2.604 278 Y HA 0.461 5.011 4.550 -0.000 0.000 0.331 278 Y C -1.361 174.547 175.900 0.015 0.000 1.158 278 Y CA -1.340 56.769 58.100 0.014 0.000 1.056 278 Y CB 0.849 39.317 38.460 0.013 0.000 1.330 278 Y HN 0.412 nan 8.280 nan 0.000 0.457 279 R N 1.728 122.259 120.500 0.051 0.000 2.438 279 R HA 0.481 4.821 4.340 -0.000 0.000 0.287 279 R C 0.757 177.049 176.300 -0.013 0.000 1.077 279 R CA 0.163 56.244 56.100 -0.033 0.000 1.034 279 R CB 0.948 31.268 30.300 0.032 0.000 0.993 279 R HN 1.059 nan 8.270 nan 0.000 0.459 280 G N 1.864 110.604 108.800 -0.100 0.000 2.590 280 G HA2 0.046 4.006 3.960 -0.000 0.000 0.276 280 G HA3 0.046 4.006 3.960 -0.000 0.000 0.276 280 G C -0.556 174.380 174.900 0.060 0.000 1.337 280 G CA -0.641 44.443 45.100 -0.026 0.000 1.030 280 G HN 0.369 nan 8.290 nan 0.000 0.534 281 L N 0.713 121.977 121.223 0.069 0.000 2.462 281 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 281 L C 0.892 177.792 176.870 0.049 0.000 1.166 281 L CA 0.428 55.311 54.840 0.072 0.000 0.880 281 L CB -0.138 41.962 42.059 0.067 0.000 1.142 281 L HN 0.928 nan 8.230 nan 0.000 0.473 282 D N 1.967 122.399 120.400 0.052 0.000 2.813 282 D HA 0.023 4.663 4.640 -0.000 0.000 0.218 282 D C -0.028 176.288 176.300 0.026 0.000 1.240 282 D CA 0.901 54.925 54.000 0.039 0.000 0.644 282 D CB -1.330 39.490 40.800 0.035 0.000 0.966 282 D HN 0.968 nan 8.370 nan 0.000 0.398 283 G N -0.591 108.223 108.800 0.023 0.000 2.576 283 G HA2 0.358 4.318 3.960 -0.000 0.000 0.290 283 G HA3 0.358 4.318 3.960 -0.000 0.000 0.290 283 G C -0.133 174.768 174.900 0.002 0.000 1.442 283 G CA -0.491 44.615 45.100 0.010 0.000 0.792 283 G HN 0.082 nan 8.290 nan 0.000 0.491 284 N N -0.702 117.996 118.700 -0.005 0.000 2.409 284 N HA 0.001 4.741 4.740 -0.000 0.000 0.179 284 N C 1.204 176.695 175.510 -0.031 0.000 1.032 284 N CA 0.953 53.996 53.050 -0.011 0.000 0.898 284 N CB 0.054 38.537 38.487 -0.007 0.000 0.971 284 N HN 0.463 nan 8.380 nan 0.000 0.441 285 T N 1.816 116.348 114.554 -0.037 0.000 2.561 285 T HA -0.126 4.224 4.350 -0.000 0.000 0.245 285 T C 0.448 175.081 174.700 -0.111 0.000 1.071 285 T CA 0.204 62.268 62.100 -0.061 0.000 1.368 285 T CB -0.815 68.021 68.868 -0.055 0.000 1.061 285 T HN 0.218 nan 8.240 nan 0.000 0.511 286 I N 3.976 124.477 120.570 -0.115 0.000 2.452 286 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 286 I C 0.443 176.407 176.117 -0.256 0.000 1.079 286 I CA -0.232 60.964 61.300 -0.174 0.000 1.387 286 I CB 0.219 38.155 38.000 -0.106 0.000 1.404 286 I HN 0.496 nan 8.210 nan 0.000 0.522 287 K N 4.646 124.741 120.400 -0.508 0.000 2.288 287 K HA 0.591 4.911 4.320 -0.000 0.000 0.234 287 K C -0.566 175.723 176.600 -0.519 0.000 1.037 287 K CA -0.777 55.169 56.287 -0.569 0.000 0.914 287 K CB 1.715 33.731 32.500 -0.806 0.000 1.197 287 K HN 0.532 nan 8.250 nan 0.000 0.471 288 T N -0.112 114.336 114.554 -0.177 0.000 2.956 288 T HA 0.477 4.827 4.350 -0.000 0.000 0.312 288 T C -1.121 173.722 174.700 0.238 0.000 1.151 288 T CA -0.418 61.733 62.100 0.083 0.000 1.024 288 T CB 1.568 70.444 68.868 0.013 0.000 1.140 288 T HN 0.578 nan 8.240 nan 0.000 0.473 289 T N 1.873 116.564 114.554 0.228 0.000 2.669 289 T HA 0.794 5.144 4.350 -0.000 0.000 0.283 289 T C -0.248 174.465 174.700 0.023 0.000 1.019 289 T CA -0.725 61.438 62.100 0.105 0.000 1.039 289 T CB 1.379 70.262 68.868 0.025 0.000 1.374 289 T HN 0.941 nan 8.240 nan 0.000 0.523 290 T N -2.025 112.522 114.554 -0.012 0.000 2.940 290 T HA 0.728 5.078 4.350 -0.000 0.000 0.288 290 T C 1.403 176.078 174.700 -0.042 0.000 1.045 290 T CA -0.230 61.855 62.100 -0.025 0.000 1.018 290 T CB 1.373 70.235 68.868 -0.010 0.000 1.151 290 T HN 0.621 nan 8.240 nan 0.000 0.529 291 A N 0.626 123.426 122.820 -0.035 0.000 1.902 291 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 291 A C 2.289 179.883 177.584 0.016 0.000 1.181 291 A CA 1.761 53.789 52.037 -0.015 0.000 0.623 291 A CB -0.881 18.125 19.000 0.010 0.000 0.818 291 A HN 0.929 nan 8.150 nan 0.000 0.443 292 K N -0.106 120.307 120.400 0.021 0.000 2.057 292 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 292 K C 1.978 178.578 176.600 -0.000 0.000 1.050 292 K CA 1.434 57.748 56.287 0.045 0.000 0.935 292 K CB -0.134 32.397 32.500 0.051 0.000 0.715 292 K HN 0.414 nan 8.250 nan 0.000 0.439 293 K N 0.564 120.946 120.400 -0.030 0.000 2.097 293 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 293 K C 2.123 178.683 176.600 -0.068 0.000 1.049 293 K CA 1.010 57.258 56.287 -0.064 0.000 0.933 293 K CB -0.201 32.269 32.500 -0.049 0.000 0.717 293 K HN 0.109 nan 8.250 nan 0.000 0.442 294 L N 1.277 122.471 121.223 -0.049 0.000 1.994 294 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 294 L C 2.105 178.968 176.870 -0.011 0.000 1.071 294 L CA 1.815 56.626 54.840 -0.048 0.000 0.745 294 L CB -0.610 41.425 42.059 -0.040 0.000 0.892 294 L HN -0.044 nan 8.230 nan 0.000 0.431 295 S N -1.192 114.527 115.700 0.033 0.000 2.419 295 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 295 S C 1.947 176.608 174.600 0.103 0.000 1.016 295 S CA 1.201 59.461 58.200 0.101 0.000 0.974 295 S CB -0.347 62.952 63.200 0.164 0.000 0.786 295 S HN 0.349 nan 8.310 nan 0.000 0.492 296 V N 2.011 121.878 119.914 -0.078 0.000 2.358 296 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 296 V C 1.978 177.992 176.094 -0.134 0.000 1.047 296 V CA 1.487 63.572 62.300 -0.358 0.000 1.035 296 V CB -0.602 30.919 31.823 -0.503 0.000 0.658 296 V HN 0.486 nan 8.190 nan 0.000 0.452 297 I N -0.399 120.125 120.570 -0.078 0.000 2.179 297 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 297 I C 2.292 178.411 176.117 0.004 0.000 1.088 297 I CA 1.764 63.039 61.300 -0.041 0.000 1.357 297 I CB -0.395 37.575 38.000 -0.050 0.000 1.051 297 I HN 0.222 nan 8.210 nan 0.000 0.409 298 I N 0.211 120.799 120.570 0.029 0.000 2.142 298 I HA -0.339 3.831 4.170 -0.000 0.000 0.240 298 I C 2.716 178.879 176.117 0.077 0.000 1.078 298 I CA 1.677 63.005 61.300 0.047 0.000 1.343 298 I CB -0.667 37.368 38.000 0.058 0.000 1.046 298 I HN 0.258 nan 8.210 nan 0.000 0.405 299 H N 1.153 120.256 119.070 0.055 0.000 2.321 299 H HA -0.256 4.300 4.556 0.000 0.000 0.295 299 H C 2.175 177.535 175.328 0.052 0.000 1.102 299 H CA 2.162 58.269 56.048 0.098 0.000 1.266 299 H CB -0.070 29.852 29.762 0.267 0.000 1.363 299 H HN 0.354 nan 8.280 nan 0.000 0.492 300 A N 0.347 123.230 122.820 0.105 0.000 1.865 300 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 300 A C 2.413 179.980 177.584 -0.030 0.000 1.191 300 A CA 1.988 54.045 52.037 0.033 0.000 0.623 300 A CB -0.651 18.366 19.000 0.028 0.000 0.826 300 A HN 0.405 nan 8.150 nan 0.000 0.444 301 R N -0.198 120.292 120.500 -0.017 0.000 2.091 301 R HA -0.024 4.316 4.340 -0.000 0.000 0.238 301 R C 2.011 178.286 176.300 -0.042 0.000 1.136 301 R CA 1.540 57.631 56.100 -0.016 0.000 0.959 301 R CB -0.705 29.600 30.300 0.009 0.000 0.856 301 R HN 0.583 nan 8.270 nan 0.000 0.437 302 L N -0.388 120.790 121.223 -0.075 0.000 2.056 302 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 302 L C 2.583 179.356 176.870 -0.161 0.000 1.078 302 L CA 1.270 56.046 54.840 -0.105 0.000 0.749 302 L CB -0.427 41.556 42.059 -0.127 0.000 0.901 302 L HN 0.189 nan 8.230 nan 0.000 0.433 303 R N 0.011 120.371 120.500 -0.234 0.000 2.096 303 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 303 R C 2.183 178.409 176.300 -0.124 0.000 1.127 303 R CA 1.423 57.391 56.100 -0.220 0.000 0.968 303 R CB -0.142 30.029 30.300 -0.215 0.000 0.861 303 R HN 0.463 nan 8.270 nan 0.000 0.440 304 E N 0.701 120.851 120.200 -0.082 0.000 2.028 304 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 304 E C 0.860 177.443 176.600 -0.029 0.000 0.988 304 E CA 0.540 56.912 56.400 -0.047 0.000 0.799 304 E CB -0.041 29.637 29.700 -0.037 0.000 0.755 304 E HN 0.132 nan 8.360 nan 0.000 0.447 308 K N 1.629 122.056 120.400 0.045 0.000 2.167 308 K HA 0.119 4.439 4.320 -0.000 0.000 0.203 308 K C 1.420 178.077 176.600 0.094 0.000 1.052 308 K CA 1.506 57.824 56.287 0.050 0.000 0.956 308 K CB 0.010 32.523 32.500 0.022 0.000 0.735 308 K HN 0.432 nan 8.250 nan 0.000 0.451 309 S N -0.229 115.565 115.700 0.157 0.000 2.634 309 S HA 0.089 4.559 4.470 -0.000 0.000 0.221 309 S C 1.353 176.144 174.600 0.318 0.000 0.952 309 S CA -0.071 58.252 58.200 0.205 0.000 0.930 309 S CB 0.354 63.671 63.200 0.195 0.000 0.780 309 S HN 0.174 nan 8.310 nan 0.000 0.498 310 K N 1.965 122.538 120.400 0.289 0.000 2.228 310 K HA 0.090 4.410 4.320 -0.000 0.000 0.202 310 K C 2.109 178.851 176.600 0.238 0.000 1.051 310 K CA 0.689 57.145 56.287 0.282 0.000 0.960 310 K CB -0.071 32.534 32.500 0.174 0.000 0.743 310 K HN 0.399 nan 8.250 nan 0.000 0.458 311 K N -0.121 120.393 120.400 0.190 0.000 2.211 311 K HA -0.138 4.182 4.320 -0.000 0.000 0.203 311 K C 1.788 178.493 176.600 0.176 0.000 1.050 311 K CA 0.855 57.230 56.287 0.148 0.000 0.945 311 K CB -0.097 32.463 32.500 0.100 0.000 0.732 311 K HN 0.093 nan 8.250 nan 0.000 0.451 312 F N 0.548 120.546 119.950 0.080 0.000 2.146 312 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 312 F C 1.711 177.552 175.800 0.068 0.000 1.096 312 F CA 1.093 59.122 58.000 0.048 0.000 1.275 312 F CB -0.394 38.628 39.000 0.037 0.000 1.008 312 F HN 0.013 nan 8.300 nan 0.000 0.480 313 F N 1.278 121.241 119.950 0.021 0.000 2.126 313 F HA -0.223 4.303 4.527 -0.000 0.000 0.299 313 F C 2.447 178.162 175.800 -0.142 0.000 1.096 313 F CA 1.988 59.927 58.000 -0.101 0.000 1.255 313 F CB -0.306 38.665 39.000 -0.049 0.000 0.997 313 F HN -0.148 nan 8.300 nan 0.000 0.479 314 R N -0.227 120.381 120.500 0.180 0.000 2.062 314 R HA -0.142 4.198 4.340 -0.000 0.000 0.229 314 R C 2.184 178.444 176.300 -0.067 0.000 1.128 314 R CA 1.406 57.550 56.100 0.074 0.000 0.960 314 R CB -0.681 29.674 30.300 0.092 0.000 0.855 314 R HN 0.348 nan 8.270 nan 0.000 0.432 315 E N 0.981 121.121 120.200 -0.101 0.000 2.171 315 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 315 E C 1.866 178.314 176.600 -0.253 0.000 0.997 315 E CA 1.729 58.037 56.400 -0.154 0.000 0.810 315 E CB 0.155 29.771 29.700 -0.140 0.000 0.738 315 E HN 0.315 nan 8.360 nan 0.000 0.467 316 V N -1.853 117.818 119.914 -0.406 0.000 2.878 316 V HA 0.008 4.128 4.120 -0.000 0.000 0.250 316 V C 1.916 177.830 176.094 -0.300 0.000 1.075 316 V CA 1.456 63.505 62.300 -0.418 0.000 1.096 316 V CB -0.140 31.314 31.823 -0.614 0.000 0.724 316 V HN 0.049 nan 8.190 nan 0.000 0.467 317 E N 1.905 121.941 120.200 -0.274 0.000 2.333 317 E HA -0.062 4.288 4.350 -0.000 0.000 0.200 317 E C 1.706 178.225 176.600 -0.135 0.000 1.010 317 E CA 1.234 57.513 56.400 -0.200 0.000 0.841 317 E CB -0.529 29.102 29.700 -0.115 0.000 0.757 317 E HN 0.808 nan 8.360 nan 0.000 0.508 318 A N 0.024 122.766 122.820 -0.130 0.000 2.503 318 A HA 0.190 4.510 4.320 -0.000 0.000 0.263 318 A C -0.076 177.448 177.584 -0.100 0.000 1.360 318 A CA 0.079 52.059 52.037 -0.095 0.000 0.969 318 A CB -0.135 18.816 19.000 -0.081 0.000 1.000 318 A HN 0.043 nan 8.150 nan 0.000 0.530 328 I N 2.561 123.026 120.570 -0.174 0.000 3.936 328 I HA 0.263 4.433 4.170 -0.000 0.000 0.330 328 I C -1.240 174.852 176.117 -0.041 0.000 1.509 328 I CA -1.808 59.430 61.300 -0.104 0.000 1.126 328 I CB 1.382 39.382 38.000 0.001 0.000 1.115 328 I HN 0.250 nan 8.210 nan 0.000 0.424 329 P HA -0.084 nan 4.420 nan 0.000 0.223 329 P C 1.479 178.759 177.300 -0.033 0.000 1.144 329 P CA 1.124 64.203 63.100 -0.036 0.000 0.783 329 P CB 0.173 31.846 31.700 -0.045 0.000 0.771 330 G N -2.974 105.800 108.800 -0.043 0.000 2.944 330 G HA2 0.418 4.378 3.960 -0.000 0.000 0.223 330 G HA3 0.418 4.378 3.960 -0.000 0.000 0.223 330 G C 0.813 175.701 174.900 -0.019 0.000 1.071 330 G CA 0.414 45.491 45.100 -0.039 0.000 0.806 330 G HN 0.460 nan 8.290 nan 0.000 0.538 331 G N -0.288 108.509 108.800 -0.006 0.000 2.566 331 G HA2 0.003 3.963 3.960 -0.000 0.000 0.280 331 G HA3 0.003 3.963 3.960 -0.000 0.000 0.280 331 G C 0.211 175.135 174.900 0.041 0.000 1.225 331 G CA 1.088 46.220 45.100 0.054 0.000 0.966 331 G HN 1.595 nan 8.290 nan 0.000 0.560 332 V N -2.750 117.214 119.914 0.082 0.000 2.604 332 V HA 0.828 4.948 4.120 -0.000 0.000 0.305 332 V C 0.104 176.230 176.094 0.054 0.000 1.043 332 V CA -0.684 61.650 62.300 0.057 0.000 0.888 332 V CB 1.860 33.716 31.823 0.054 0.000 0.995 332 V HN 1.324 nan 8.190 nan 0.000 0.429 333 V N 6.057 125.988 119.914 0.028 0.000 2.384 333 V HA 0.459 4.579 4.120 -0.000 0.000 0.287 333 V C 0.033 176.149 176.094 0.038 0.000 1.020 333 V CA -0.480 61.830 62.300 0.016 0.000 0.850 333 V CB 1.347 33.154 31.823 -0.027 0.000 0.987 333 V HN 0.833 nan 8.190 nan 0.000 0.436 334 L N 5.600 126.855 121.223 0.054 0.000 2.292 334 L HA 0.676 5.016 4.340 -0.000 0.000 0.284 334 L C 0.563 177.459 176.870 0.044 0.000 1.065 334 L CA 0.039 54.920 54.840 0.068 0.000 0.806 334 L CB 1.693 43.804 42.059 0.087 0.000 1.175 334 L HN 0.865 nan 8.230 nan 0.000 0.431 335 T N -0.569 114.012 114.554 0.045 0.000 2.864 335 T HA 0.877 5.227 4.350 -0.000 0.000 0.289 335 T C 0.011 174.737 174.700 0.044 0.000 1.082 335 T CA -0.169 61.955 62.100 0.039 0.000 1.009 335 T CB 2.091 70.978 68.868 0.031 0.000 1.234 335 T HN 1.038 nan 8.240 nan 0.000 0.526 336 G N -0.684 108.143 108.800 0.044 0.000 2.756 336 G HA2 0.253 4.213 3.960 -0.000 0.000 0.678 336 G HA3 0.253 4.213 3.960 -0.000 0.000 0.678 336 G C 0.840 175.775 174.900 0.059 0.000 1.349 336 G CA -0.046 45.081 45.100 0.046 0.000 0.847 336 G HN 1.681 nan 8.290 nan 0.000 0.548 337 G N -0.169 108.678 108.800 0.078 0.000 2.513 337 G HA2 0.100 4.060 3.960 -0.000 0.000 0.219 337 G HA3 0.100 4.060 3.960 -0.000 0.000 0.219 337 G C 2.055 177.002 174.900 0.079 0.000 1.160 337 G CA 2.304 47.462 45.100 0.097 0.000 0.767 337 G HN 2.050 nan 8.290 nan 0.000 0.571 338 G N 1.027 109.870 108.800 0.071 0.000 2.450 338 G HA2 0.027 3.987 3.960 -0.000 0.000 0.220 338 G HA3 0.027 3.987 3.960 -0.000 0.000 0.220 338 G C 1.987 176.918 174.900 0.052 0.000 1.130 338 G CA 1.396 46.531 45.100 0.059 0.000 0.760 338 G HN 0.748 nan 8.290 nan 0.000 0.557 339 A N 0.419 123.270 122.820 0.053 0.000 2.131 339 A HA -0.001 4.319 4.320 -0.000 0.000 0.220 339 A C 2.170 179.778 177.584 0.040 0.000 1.158 339 A CA 1.713 53.779 52.037 0.048 0.000 0.665 339 A CB -0.248 18.779 19.000 0.046 0.000 0.795 339 A HN 0.442 nan 8.150 nan 0.000 0.460 340 K N -0.544 119.882 120.400 0.042 0.000 2.426 340 K HA 0.261 4.581 4.320 -0.000 0.000 0.193 340 K C -0.128 176.491 176.600 0.031 0.000 1.028 340 K CA -0.083 56.225 56.287 0.035 0.000 1.047 340 K CB 0.159 32.682 32.500 0.037 0.000 0.821 340 K HN 0.467 nan 8.250 nan 0.000 0.513 341 I N 3.569 124.160 120.570 0.035 0.000 2.598 341 I HA 0.022 4.192 4.170 -0.000 0.000 0.284 341 I C -2.199 173.937 176.117 0.030 0.000 1.140 341 I CA -2.113 59.207 61.300 0.034 0.000 1.420 341 I CB 0.276 38.298 38.000 0.037 0.000 1.387 341 I HN -0.223 nan 8.210 nan 0.000 0.553 342 P HA 0.003 nan 4.420 nan 0.000 0.264 342 P C -0.226 177.090 177.300 0.027 0.000 1.183 342 P CA 0.152 63.267 63.100 0.025 0.000 0.763 342 P CB 0.328 32.043 31.700 0.025 0.000 0.807 343 R N 1.332 121.843 120.500 0.019 0.000 3.770 343 R HA -0.217 4.123 4.340 -0.000 0.000 0.305 343 R C 1.035 177.346 176.300 0.018 0.000 1.184 343 R CA 0.310 56.419 56.100 0.015 0.000 0.823 343 R CB -2.343 27.964 30.300 0.012 0.000 1.285 343 R HN 0.519 nan 8.270 nan 0.000 0.499 344 I N 0.294 120.877 120.570 0.021 0.000 2.761 344 I HA -0.156 4.014 4.170 -0.000 0.000 0.261 344 I C 1.636 177.760 176.117 0.011 0.000 1.198 344 I CA 0.980 62.290 61.300 0.016 0.000 1.482 344 I CB -0.004 38.009 38.000 0.022 0.000 1.100 344 I HN 0.259 nan 8.210 nan 0.000 0.445 345 N N 1.047 119.760 118.700 0.021 0.000 2.244 345 N HA -0.188 4.552 4.740 -0.000 0.000 0.183 345 N C 1.520 177.038 175.510 0.014 0.000 1.016 345 N CA 1.252 54.320 53.050 0.029 0.000 0.866 345 N CB -0.132 38.373 38.487 0.030 0.000 0.980 345 N HN 0.527 nan 8.380 nan 0.000 0.430 346 E N 0.835 121.036 120.200 0.003 0.000 2.106 346 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 346 E C 2.015 178.600 176.600 -0.025 0.000 0.984 346 E CA 0.343 56.738 56.400 -0.008 0.000 0.806 346 E CB 0.014 29.709 29.700 -0.009 0.000 0.750 346 E HN 0.261 nan 8.360 nan 0.000 0.458 347 L N 0.463 121.668 121.223 -0.030 0.000 2.072 347 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 347 L C 2.389 179.173 176.870 -0.143 0.000 1.079 347 L CA 1.017 55.820 54.840 -0.062 0.000 0.752 347 L CB -0.199 41.822 42.059 -0.063 0.000 0.906 347 L HN 0.100 nan 8.230 nan 0.000 0.436 348 A N -0.757 121.985 122.820 -0.129 0.000 1.933 348 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 348 A C 2.191 179.693 177.584 -0.137 0.000 1.175 348 A CA 2.283 54.196 52.037 -0.207 0.000 0.628 348 A CB -1.018 17.999 19.000 0.027 0.000 0.814 348 A HN 0.481 nan 8.150 nan 0.000 0.444 349 T N 0.016 114.553 114.554 -0.028 0.000 2.788 349 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 349 T C 1.723 176.398 174.700 -0.042 0.000 1.044 349 T CA 1.665 63.770 62.100 0.008 0.000 1.139 349 T CB -0.241 68.636 68.868 0.015 0.000 0.867 349 T HN 0.656 nan 8.240 nan 0.000 0.454 350 E N 0.286 120.436 120.200 -0.083 0.000 2.107 350 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 350 E C 2.367 178.882 176.600 -0.142 0.000 0.982 350 E CA 0.796 57.143 56.400 -0.088 0.000 0.809 350 E CB -0.074 29.582 29.700 -0.073 0.000 0.756 350 E HN 0.303 nan 8.360 nan 0.000 0.459 351 V N 0.394 120.150 119.914 -0.262 0.000 2.323 351 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 351 V C 1.857 177.746 176.094 -0.341 0.000 1.041 351 V CA 1.576 63.652 62.300 -0.373 0.000 1.025 351 V CB -0.480 30.963 31.823 -0.633 0.000 0.656 351 V HN 0.230 nan 8.190 nan 0.000 0.451 352 F N -0.385 119.441 119.950 -0.207 0.000 2.615 352 F HA 0.142 4.669 4.527 -0.000 0.000 0.297 352 F C 1.567 177.165 175.800 -0.337 0.000 1.124 352 F CA 0.125 57.878 58.000 -0.412 0.000 1.451 352 F CB -0.114 38.672 39.000 -0.357 0.000 1.103 352 F HN 0.045 nan 8.300 nan 0.000 0.569 353 K N 0.539 120.928 120.400 -0.018 0.000 3.193 353 K HA -0.217 4.103 4.320 -0.000 0.000 0.294 353 K C 0.247 176.880 176.600 0.055 0.000 1.185 353 K CA 0.668 56.955 56.287 -0.001 0.000 0.866 353 K CB -1.849 30.638 32.500 -0.021 0.000 1.227 353 K HN 0.444 nan 8.250 nan 0.000 0.467 354 S N -0.306 115.461 115.700 0.113 0.000 2.745 354 S HA 0.693 5.163 4.470 -0.000 0.000 0.306 354 S C -2.880 171.802 174.600 0.136 0.000 1.137 354 S CA -1.511 56.783 58.200 0.157 0.000 0.900 354 S CB 2.486 65.863 63.200 0.295 0.000 1.176 354 S HN -0.073 nan 8.310 nan 0.000 0.520 355 P HA 0.313 nan 4.420 nan 0.000 0.271 355 P C -1.054 176.307 177.300 0.102 0.000 1.220 355 P CA -0.205 62.944 63.100 0.082 0.000 0.768 355 P CB 0.634 32.366 31.700 0.052 0.000 0.848 356 V N 4.898 124.866 119.914 0.091 0.000 2.656 356 V HA 0.590 4.710 4.120 -0.000 0.000 0.307 356 V C 0.505 176.635 176.094 0.059 0.000 1.051 356 V CA -0.623 61.739 62.300 0.103 0.000 0.893 356 V CB 1.886 33.792 31.823 0.138 0.000 0.999 356 V HN 0.711 nan 8.190 nan 0.000 0.426 357 R N 1.333 121.861 120.500 0.046 0.000 2.836 357 R HA 0.757 5.097 4.340 -0.000 0.000 0.269 357 R C -1.029 175.281 176.300 0.018 0.000 1.010 357 R CA -0.705 55.407 56.100 0.019 0.000 0.930 357 R CB 1.780 32.078 30.300 -0.004 0.000 1.218 357 R HN 0.452 nan 8.270 nan 0.000 0.473 358 T N 0.807 115.363 114.554 0.003 0.000 2.806 358 T HA 0.408 4.758 4.350 -0.000 0.000 0.290 358 T C 0.084 174.773 174.700 -0.018 0.000 0.966 358 T CA -0.241 61.861 62.100 0.003 0.000 1.060 358 T CB 1.320 70.189 68.868 0.001 0.000 0.927 358 T HN 0.663 nan 8.240 nan 0.000 0.485 359 G N 1.123 109.915 108.800 -0.013 0.000 2.356 359 G HA2 0.557 4.517 3.960 -0.000 0.000 0.298 359 G HA3 0.557 4.517 3.960 -0.000 0.000 0.298 359 G C -0.085 174.799 174.900 -0.027 0.000 1.145 359 G CA -0.554 44.526 45.100 -0.034 0.000 0.850 359 G HN 1.139 nan 8.290 nan 0.000 0.487 360 C N 0.650 119.912 119.300 -0.063 0.000 3.306 360 C HA 0.462 4.922 4.460 -0.000 0.000 0.335 360 C C 0.884 175.789 174.990 -0.142 0.000 1.382 360 C CA -1.128 57.857 59.018 -0.055 0.000 1.254 360 C CB 0.259 27.967 27.740 -0.053 0.000 1.555 360 C HN 0.803 nan 8.230 nan 0.000 0.463 361 Y N 1.712 121.813 120.300 -0.332 0.000 2.224 361 Y HA 0.077 4.627 4.550 0.000 0.000 0.289 361 Y C 2.386 178.020 175.900 -0.443 0.000 1.146 361 Y CA 2.870 60.641 58.100 -0.548 0.000 1.182 361 Y CB -0.283 37.412 38.460 -1.276 0.000 0.983 361 Y HN 0.911 nan 8.280 nan 0.000 0.524 362 A N 0.586 123.169 122.820 -0.395 0.000 1.908 362 A HA -0.221 4.098 4.320 -0.000 0.000 0.218 362 A C 1.560 178.942 177.584 -0.336 0.000 1.181 362 A CA 1.835 53.666 52.037 -0.342 0.000 0.627 362 A CB -0.665 18.224 19.000 -0.184 0.000 0.818 362 A HN 0.593 nan 8.150 nan 0.000 0.445 363 N N 0.613 119.147 118.700 -0.277 0.000 2.375 363 N HA 0.045 4.785 4.740 -0.000 0.000 0.220 363 N C 0.116 175.464 175.510 -0.269 0.000 1.170 363 N CA 0.745 53.659 53.050 -0.226 0.000 0.833 363 N CB -0.020 38.375 38.487 -0.153 0.000 1.069 363 N HN 0.614 nan 8.380 nan 0.000 0.479 364 S N -1.230 114.229 115.700 -0.400 0.000 2.739 364 S HA 0.356 4.826 4.470 -0.000 0.000 0.306 364 S C 0.629 174.997 174.600 -0.388 0.000 1.115 364 S CA -0.733 57.227 58.200 -0.400 0.000 0.985 364 S CB 2.143 65.036 63.200 -0.512 0.000 1.133 364 S HN -0.138 nan 8.310 nan 0.000 0.541 365 D N 0.429 120.640 120.400 -0.314 0.000 2.269 365 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 365 D C 0.381 176.502 176.300 -0.300 0.000 0.963 365 D CA 0.576 54.428 54.000 -0.248 0.000 0.864 365 D CB 0.024 40.719 40.800 -0.175 0.000 0.936 365 D HN 0.327 nan 8.370 nan 0.000 0.505 366 R N 1.340 121.568 120.500 -0.453 0.000 2.758 366 R HA 0.067 4.407 4.340 -0.000 0.000 0.263 366 R C -2.162 173.869 176.300 -0.448 0.000 1.010 366 R CA -1.179 54.587 56.100 -0.556 0.000 1.114 366 R CB -1.294 28.473 30.300 -0.888 0.000 0.985 366 R HN 0.015 nan 8.270 nan 0.000 0.439 367 P HA -0.035 nan 4.420 nan 0.000 0.263 367 P C -0.439 176.877 177.300 0.027 0.000 1.175 367 P CA 0.590 63.675 63.100 -0.025 0.000 0.761 367 P CB 0.393 32.172 31.700 0.132 0.000 0.794 368 S N 3.612 119.348 115.700 0.059 0.000 3.900 368 S HA 0.143 4.613 4.470 -0.000 0.000 0.248 368 S C 0.772 175.488 174.600 0.193 0.000 1.310 368 S CA -0.282 57.966 58.200 0.080 0.000 0.915 368 S CB -1.220 61.995 63.200 0.026 0.000 1.588 368 S HN 0.313 nan 8.310 nan 0.000 0.472 369 I N 3.142 123.890 120.570 0.297 0.000 2.919 369 I HA -0.130 4.040 4.170 -0.000 0.000 0.303 369 I C 1.499 177.751 176.117 0.225 0.000 1.221 369 I CA 0.200 61.699 61.300 0.332 0.000 1.444 369 I CB 0.180 38.380 38.000 0.333 0.000 1.331 369 I HN 0.477 nan 8.210 nan 0.000 0.572 370 I N 4.213 124.907 120.570 0.207 0.000 3.424 370 I HA -0.196 3.974 4.170 -0.000 0.000 0.079 370 I C 1.253 177.449 176.117 0.133 0.000 1.219 370 I CA 0.346 61.730 61.300 0.139 0.000 1.237 370 I CB -0.292 37.774 38.000 0.110 0.000 1.215 370 I HN 0.654 nan 8.210 nan 0.000 0.567 371 N N 1.573 120.343 118.700 0.116 0.000 2.257 371 N HA 0.098 4.838 4.740 -0.000 0.000 0.289 371 N C -0.872 174.743 175.510 0.175 0.000 1.348 371 N CA 0.702 53.824 53.050 0.120 0.000 1.054 371 N CB -0.232 38.313 38.487 0.097 0.000 1.478 371 N HN 0.566 nan 8.380 nan 0.000 0.486 372 A N 2.808 125.723 122.820 0.159 0.000 2.881 372 A HA 0.136 4.456 4.320 -0.000 0.000 0.265 372 A C -0.020 177.603 177.584 0.066 0.000 1.297 372 A CA -0.656 51.479 52.037 0.163 0.000 0.989 372 A CB -0.308 18.813 19.000 0.201 0.000 1.421 372 A HN 0.582 nan 8.150 nan 0.000 0.688 373 D N 0.554 120.985 120.400 0.051 0.000 2.323 373 D HA -0.029 4.611 4.640 -0.000 0.000 0.218 373 D C 1.920 178.195 176.300 -0.041 0.000 0.973 373 D CA 1.399 55.404 54.000 0.009 0.000 0.890 373 D CB 0.407 41.224 40.800 0.027 0.000 1.011 373 D HN 0.710 nan 8.370 nan 0.000 0.499 374 E N 0.311 120.474 120.200 -0.062 0.000 2.051 374 E HA -0.124 4.226 4.350 -0.000 0.000 0.189 374 E C 2.187 178.638 176.600 -0.249 0.000 0.979 374 E CA 1.461 57.792 56.400 -0.114 0.000 0.803 374 E CB -0.362 29.305 29.700 -0.053 0.000 0.761 374 E HN 0.275 nan 8.360 nan 0.000 0.451 375 V N -0.493 119.097 119.914 -0.540 0.000 2.667 375 V HA 0.094 4.214 4.120 -0.000 0.000 0.252 375 V C 2.492 178.497 176.094 -0.148 0.000 1.065 375 V CA 1.178 63.067 62.300 -0.686 0.000 1.083 375 V CB -0.577 30.270 31.823 -1.626 0.000 0.692 375 V HN 0.333 nan 8.190 nan 0.000 0.468 376 A N 0.872 123.615 122.820 -0.128 0.000 2.067 376 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 376 A C 1.936 179.434 177.584 -0.144 0.000 1.158 376 A CA 1.786 53.682 52.037 -0.235 0.000 0.661 376 A CB -0.893 18.012 19.000 -0.159 0.000 0.801 376 A HN 0.729 nan 8.150 nan 0.000 0.452 377 N N -0.582 118.064 118.700 -0.090 0.000 2.236 377 N HA 0.013 4.753 4.740 -0.000 0.000 0.196 377 N C -0.622 174.878 175.510 -0.017 0.000 1.114 377 N CA -0.109 52.906 53.050 -0.059 0.000 0.859 377 N CB 0.386 38.842 38.487 -0.051 0.000 0.982 377 N HN 0.264 nan 8.380 nan 0.000 0.493 378 D N 0.931 121.343 120.400 0.021 0.000 2.329 378 D HA 0.178 4.818 4.640 -0.000 0.000 0.232 378 D C -1.854 174.541 176.300 0.157 0.000 1.088 378 D CA -2.389 51.671 54.000 0.100 0.000 0.835 378 D CB 1.832 42.730 40.800 0.162 0.000 1.078 378 D HN -0.093 nan 8.370 nan 0.000 0.495 379 P HA -0.095 nan 4.420 nan 0.000 0.217 379 P C 1.007 178.371 177.300 0.108 0.000 1.148 379 P CA 0.901 64.053 63.100 0.088 0.000 0.828 379 P CB 0.334 32.068 31.700 0.057 0.000 0.783 380 S N -2.190 113.577 115.700 0.111 0.000 2.547 380 S HA 0.001 4.471 4.470 -0.000 0.000 0.235 380 S C 1.036 175.585 174.600 -0.085 0.000 0.980 380 S CA 0.810 59.021 58.200 0.017 0.000 0.941 380 S CB -0.814 62.362 63.200 -0.040 0.000 0.763 380 S HN 0.173 nan 8.310 nan 0.000 0.532 381 F N 0.680 120.682 119.950 0.085 0.000 2.678 381 F HA 0.405 4.932 4.527 -0.000 0.000 0.305 381 F C 1.999 177.958 175.800 0.265 0.000 1.090 381 F CA -0.205 57.873 58.000 0.131 0.000 1.272 381 F CB -0.247 38.841 39.000 0.146 0.000 1.060 381 F HN 0.114 nan 8.300 nan 0.000 0.576 382 A N 0.863 123.881 122.820 0.330 0.000 1.870 382 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 382 A C 2.512 180.264 177.584 0.279 0.000 1.224 382 A CA 2.501 54.713 52.037 0.292 0.000 0.650 382 A CB -1.344 17.741 19.000 0.142 0.000 0.836 382 A HN 0.330 nan 8.150 nan 0.000 0.454 383 A N -0.464 122.451 122.820 0.158 0.000 1.892 383 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 383 A C 2.594 180.259 177.584 0.135 0.000 1.188 383 A CA 3.003 55.112 52.037 0.120 0.000 0.631 383 A CB -1.356 17.680 19.000 0.060 0.000 0.822 383 A HN 1.448 nan 8.150 nan 0.000 0.447 384 A N -1.107 121.771 122.820 0.097 0.000 1.915 384 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 384 A C 2.010 179.577 177.584 -0.029 0.000 1.198 384 A CA 1.976 54.024 52.037 0.019 0.000 0.647 384 A CB -0.914 18.083 19.000 -0.004 0.000 0.825 384 A HN 0.537 nan 8.150 nan 0.000 0.456 385 F N -0.057 119.941 119.950 0.081 0.000 2.113 385 F HA 0.028 4.555 4.527 0.000 0.000 0.297 385 F C 2.727 178.627 175.800 0.167 0.000 1.103 385 F CA 1.078 59.089 58.000 0.019 0.000 1.248 385 F CB -0.950 37.931 39.000 -0.198 0.000 0.999 385 F HN 0.291 nan 8.300 nan 0.000 0.475 386 G N 0.376 109.378 108.800 0.337 0.000 2.476 386 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 386 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 386 G C 1.616 176.660 174.900 0.241 0.000 1.164 386 G CA 1.280 46.542 45.100 0.269 0.000 0.768 386 G HN 0.255 nan 8.290 nan 0.000 0.560 387 N N 0.494 119.307 118.700 0.188 0.000 2.091 387 N HA -0.153 4.587 4.740 -0.000 0.000 0.193 387 N C 2.288 177.879 175.510 0.135 0.000 1.021 387 N CA 1.629 54.778 53.050 0.165 0.000 0.862 387 N CB -0.652 37.920 38.487 0.142 0.000 1.018 387 N HN 0.272 nan 8.380 nan 0.000 0.429 388 V N 0.351 120.318 119.914 0.088 0.000 2.323 388 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 388 V C 1.785 177.748 176.094 -0.218 0.000 1.041 388 V CA 1.357 63.608 62.300 -0.082 0.000 1.025 388 V CB -0.663 30.988 31.823 -0.287 0.000 0.656 388 V HN 0.102 nan 8.190 nan 0.000 0.451 389 F N 0.639 120.540 119.950 -0.082 0.000 2.661 389 F HA 0.217 4.744 4.527 0.000 0.000 0.298 389 F C 2.163 177.974 175.800 0.018 0.000 1.137 389 F CA 0.736 58.689 58.000 -0.078 0.000 1.454 389 F CB -0.600 38.349 39.000 -0.084 0.000 1.103 389 F HN 0.079 nan 8.300 nan 0.000 0.577 390 A N -0.525 122.423 122.820 0.214 0.000 2.261 390 A HA 0.306 4.626 4.320 -0.000 0.000 0.208 390 A C 1.328 178.990 177.584 0.130 0.000 1.223 390 A CA 0.730 52.886 52.037 0.197 0.000 0.833 390 A CB -0.707 18.442 19.000 0.248 0.000 0.830 390 A HN 0.184 nan 8.150 nan 0.000 0.483 391 V N -2.336 117.633 119.914 0.091 0.000 5.031 391 V HA 0.462 4.582 4.120 -0.000 0.000 0.141 391 V C 0.681 176.808 176.094 0.056 0.000 0.996 391 V CA 0.698 63.038 62.300 0.068 0.000 1.362 391 V CB 0.505 32.379 31.823 0.085 0.000 2.079 391 V HN 0.374 nan 8.190 nan 0.000 0.492 392 S N 0.000 115.713 115.700 0.021 0.000 2.498 392 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 392 S CA 0.000 58.215 58.200 0.025 0.000 1.107 392 S CB 0.000 63.256 63.200 0.094 0.000 0.593 392 S HN 0.000 nan 8.310 nan 0.000 0.517