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 3lzk_1_C DATA FIRST_RESID -5 DATA SEQUENCE NLYFQGXKLA TLKDSTRDGK LVVVSKDLTR CSEVGHIART LQAALDDWAH DATA SEQUENCE AGPRLERVAE GIETGAQPTX RFHEHDAASP LPRAFQWADG SAYVNHVELV DATA SEQUENCE RKARNAEXPA SFWTDPLIYQ GGSDSFLGPR DPILXADDAW GIDXEGEAAV DATA SEQUENCE IVDDVPXGAT LDEAKAAIRL VXLVNDVSLR GLIPGELAKG FGFYQSKPSS DATA SEQUENCE AFSPVAVTPE ELGEAWDGGK LHLPLHVDLN GEPFGRANAG IDXTFDFPQL DATA SEQUENCE IVHAARTRPL SAGTIIGSGT VSNKLEGGPG RPVSEGGAGY SCIAELRXIE DATA SEQUENCE TIEGGAPKTQ FLKFGDVVRI EXKDRTGHSI FGAIEQKVGK YER 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 -5 N HA 0.000 nan 4.740 nan 0.000 0.220 -5 N C 0.000 175.551 175.510 0.069 0.000 1.280 -5 N CA 0.000 53.073 53.050 0.038 0.000 0.885 -5 N CB 0.000 38.502 38.487 0.025 0.000 1.341 -4 L N 2.140 123.413 121.223 0.083 0.000 2.452 -4 L HA 0.146 4.486 4.340 -0.000 0.000 0.267 -4 L C 0.107 177.078 176.870 0.168 0.000 1.188 -4 L CA -0.367 54.543 54.840 0.117 0.000 0.821 -4 L CB 0.122 42.245 42.059 0.106 0.000 1.102 -4 L HN 0.386 nan 8.230 nan 0.000 0.470 -3 Y N 2.566 122.902 120.300 0.060 0.000 2.730 -3 Y HA 0.006 4.555 4.550 -0.000 0.000 0.357 -3 Y C 0.093 176.051 175.900 0.097 0.000 1.167 -3 Y CA -0.388 57.755 58.100 0.072 0.000 1.579 -3 Y CB -0.333 38.148 38.460 0.036 0.000 1.262 -3 Y HN 0.281 nan 8.280 nan 0.000 0.510 -2 F N 5.690 125.486 119.950 -0.256 0.000 2.623 -2 F HA -0.028 4.498 4.527 -0.000 0.000 0.383 -2 F C 0.670 176.345 175.800 -0.209 0.000 1.077 -2 F CA 0.696 58.580 58.000 -0.194 0.000 1.268 -2 F CB 0.663 39.555 39.000 -0.180 0.000 1.053 -2 F HN 0.627 nan 8.300 nan 0.000 0.571 -1 Q N 3.816 123.117 119.800 -0.831 0.000 2.112 -1 Q HA 0.376 4.716 4.340 -0.000 0.000 0.222 -1 Q C 0.166 175.720 176.000 -0.745 0.000 0.798 -1 Q CA 0.089 55.542 55.803 -0.584 0.000 1.060 -1 Q CB 0.685 29.297 28.738 -0.209 0.000 1.184 -1 Q HN 1.097 nan 8.270 nan 0.000 0.475 3 L N 1.471 122.656 121.223 -0.063 0.000 2.354 3 L HA 0.923 5.263 4.340 -0.000 0.000 0.269 3 L C -0.572 176.261 176.870 -0.063 0.000 1.005 3 L CA -0.951 53.860 54.840 -0.048 0.000 0.819 3 L CB 2.026 44.100 42.059 0.026 0.000 1.311 3 L HN 0.884 nan 8.230 nan 0.000 0.423 4 A N 0.864 123.651 122.820 -0.054 0.000 2.594 4 A HA 0.860 5.180 4.320 -0.000 0.000 0.291 4 A C -1.000 176.622 177.584 0.063 0.000 1.105 4 A CA -0.475 51.576 52.037 0.023 0.000 0.694 4 A CB 2.164 21.205 19.000 0.069 0.000 1.291 4 A HN 0.529 nan 8.150 nan 0.000 0.410 5 T N 1.571 116.180 114.554 0.093 0.000 2.812 5 T HA 0.551 4.901 4.350 -0.000 0.000 0.282 5 T C -0.585 174.177 174.700 0.102 0.000 0.990 5 T CA -0.152 61.993 62.100 0.076 0.000 0.960 5 T CB 0.455 69.346 68.868 0.039 0.000 0.948 5 T HN 0.447 nan 8.240 nan 0.000 0.438 6 L N 3.278 124.560 121.223 0.097 0.000 2.334 6 L HA 0.472 4.812 4.340 -0.000 0.000 0.277 6 L C 0.579 177.476 176.870 0.046 0.000 1.075 6 L CA -0.994 53.892 54.840 0.078 0.000 0.804 6 L CB 1.024 43.134 42.059 0.085 0.000 1.174 6 L HN 0.429 nan 8.230 nan 0.000 0.438 7 K N 2.221 122.639 120.400 0.029 0.000 2.401 7 K HA 0.153 4.473 4.320 -0.000 0.000 0.278 7 K C -0.740 175.874 176.600 0.023 0.000 1.018 7 K CA -0.154 56.148 56.287 0.025 0.000 0.981 7 K CB 0.490 33.003 32.500 0.021 0.000 0.933 7 K HN 0.576 nan 8.250 nan 0.000 0.477 8 D N -0.551 119.862 120.400 0.022 0.000 3.009 8 D HA -0.004 4.636 4.640 -0.000 0.000 0.318 8 D C 0.440 176.751 176.300 0.017 0.000 1.273 8 D CA -0.638 53.375 54.000 0.020 0.000 1.001 8 D CB -0.121 40.693 40.800 0.023 0.000 1.411 8 D HN 0.264 nan 8.370 nan 0.000 0.577 9 S N -1.555 114.154 115.700 0.016 0.000 2.555 9 S HA 0.092 4.562 4.470 -0.000 0.000 0.230 9 S C 0.881 175.489 174.600 0.013 0.000 0.978 9 S CA 0.800 59.008 58.200 0.014 0.000 0.934 9 S CB -1.232 61.976 63.200 0.013 0.000 0.766 9 S HN 0.804 nan 8.310 nan 0.000 0.533 10 T N -1.325 113.237 114.554 0.014 0.000 2.912 10 T HA 0.511 4.861 4.350 -0.000 0.000 0.280 10 T C 0.778 175.482 174.700 0.008 0.000 0.989 10 T CA -1.010 61.097 62.100 0.011 0.000 0.995 10 T CB 1.328 70.204 68.868 0.013 0.000 1.077 10 T HN 0.126 nan 8.240 nan 0.000 0.531 11 R N -0.070 120.431 120.500 0.003 0.000 2.119 11 R HA 0.032 4.371 4.340 -0.000 0.000 0.222 11 R C 1.197 177.488 176.300 -0.015 0.000 1.088 11 R CA 1.198 57.294 56.100 -0.007 0.000 0.984 11 R CB -0.007 30.286 30.300 -0.012 0.000 0.884 11 R HN 0.670 nan 8.270 nan 0.000 0.447 12 D N -0.360 120.033 120.400 -0.011 0.000 2.349 12 D HA 0.116 4.756 4.640 -0.000 0.000 0.214 12 D C 0.918 177.218 176.300 -0.000 0.000 1.063 12 D CA 0.736 54.726 54.000 -0.016 0.000 0.847 12 D CB 0.700 41.490 40.800 -0.016 0.000 0.933 12 D HN 0.295 nan 8.370 nan 0.000 0.513 13 G N 1.848 110.654 108.800 0.009 0.000 2.698 13 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.233 13 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.233 13 G C -0.284 174.630 174.900 0.024 0.000 1.352 13 G CA -0.444 44.667 45.100 0.019 0.000 0.879 13 G HN 0.253 nan 8.290 nan 0.000 0.567 14 K N -0.164 120.255 120.400 0.033 0.000 2.483 14 K HA 0.546 4.866 4.320 -0.000 0.000 0.256 14 K C -0.217 176.408 176.600 0.042 0.000 0.961 14 K CA -0.953 55.355 56.287 0.036 0.000 0.873 14 K CB 1.193 33.718 32.500 0.041 0.000 1.107 14 K HN 0.725 nan 8.250 nan 0.000 0.432 15 L N 5.853 127.094 121.223 0.031 0.000 2.455 15 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 15 L C -0.797 176.088 176.870 0.025 0.000 1.174 15 L CA 0.249 55.105 54.840 0.027 0.000 0.869 15 L CB 0.950 43.019 42.059 0.018 0.000 1.130 15 L HN 0.397 nan 8.230 nan 0.000 0.474 16 V N 3.409 123.336 119.914 0.022 0.000 3.040 16 V HA 0.704 4.824 4.120 -0.000 0.000 0.312 16 V C -0.494 175.573 176.094 -0.045 0.000 1.115 16 V CA -0.906 61.396 62.300 0.003 0.000 0.998 16 V CB 1.747 33.589 31.823 0.031 0.000 1.042 16 V HN 0.507 nan 8.190 nan 0.000 0.433 17 V N 2.879 122.760 119.914 -0.055 0.000 2.509 17 V HA 0.593 4.713 4.120 -0.000 0.000 0.284 17 V C 0.051 176.053 176.094 -0.153 0.000 1.047 17 V CA -0.332 61.918 62.300 -0.083 0.000 0.952 17 V CB 1.408 33.204 31.823 -0.044 0.000 0.988 17 V HN 0.785 nan 8.190 nan 0.000 0.469 18 V N 3.627 123.403 119.914 -0.230 0.000 2.555 18 V HA 0.456 4.575 4.120 -0.000 0.000 0.302 18 V C 0.377 176.332 176.094 -0.232 0.000 1.038 18 V CA -0.630 61.454 62.300 -0.361 0.000 0.887 18 V CB 2.184 33.593 31.823 -0.690 0.000 0.991 18 V HN 1.039 nan 8.190 nan 0.000 0.434 19 S N 3.220 118.808 115.700 -0.188 0.000 2.576 19 S HA 0.106 4.576 4.470 -0.000 0.000 0.272 19 S C 1.120 175.635 174.600 -0.142 0.000 1.352 19 S CA -0.093 58.031 58.200 -0.128 0.000 1.021 19 S CB 0.593 63.738 63.200 -0.091 0.000 0.887 19 S HN 0.813 nan 8.310 nan 0.000 0.542 20 K N 1.028 121.354 120.400 -0.123 0.000 2.103 20 K HA -0.187 4.132 4.320 -0.000 0.000 0.207 20 K C 1.156 177.676 176.600 -0.134 0.000 1.048 20 K CA 1.894 58.099 56.287 -0.136 0.000 0.930 20 K CB -0.473 31.950 32.500 -0.129 0.000 0.716 20 K HN 0.904 nan 8.250 nan 0.000 0.444 21 D N 0.551 120.879 120.400 -0.121 0.000 2.328 21 D HA -0.073 4.567 4.640 -0.000 0.000 0.226 21 D C 0.722 176.989 176.300 -0.055 0.000 1.066 21 D CA 0.190 54.124 54.000 -0.111 0.000 0.861 21 D CB -0.032 40.696 40.800 -0.119 0.000 0.912 21 D HN 0.302 nan 8.370 nan 0.000 0.521 22 L N 0.400 121.586 121.223 -0.062 0.000 4.496 22 L HA -0.253 4.087 4.340 -0.000 0.000 0.419 22 L C 1.575 178.516 176.870 0.119 0.000 1.139 22 L CA 1.043 55.887 54.840 0.008 0.000 0.975 22 L CB -2.706 39.404 42.059 0.085 0.000 2.099 22 L HN 0.281 nan 8.230 nan 0.000 0.818 23 T N -4.486 110.091 114.554 0.038 0.000 3.015 23 T HA 0.204 4.554 4.350 -0.000 0.000 0.250 23 T C 0.922 175.642 174.700 0.034 0.000 1.057 23 T CA -0.175 61.950 62.100 0.041 0.000 1.066 23 T CB 0.438 69.307 68.868 0.001 0.000 0.959 23 T HN 0.187 nan 8.240 nan 0.000 0.488 24 R N 0.817 121.322 120.500 0.009 0.000 2.807 24 R HA 0.762 5.102 4.340 -0.000 0.000 0.276 24 R C -0.501 175.778 176.300 -0.036 0.000 0.979 24 R CA -0.636 55.464 56.100 -0.001 0.000 0.928 24 R CB 1.163 31.450 30.300 -0.021 0.000 1.191 24 R HN 0.536 nan 8.270 nan 0.000 0.471 25 C N -1.989 117.309 119.300 -0.003 0.000 3.318 25 C HA 0.845 5.305 4.460 -0.000 0.000 0.322 25 C C -0.542 174.451 174.990 0.005 0.000 1.398 25 C CA -0.891 58.104 59.018 -0.038 0.000 1.339 25 C CB 1.942 29.660 27.740 -0.035 0.000 1.668 25 C HN 0.776 nan 8.230 nan 0.000 0.462 26 S N 0.516 116.215 115.700 -0.002 0.000 2.575 26 S HA 0.629 5.099 4.470 -0.000 0.000 0.278 26 S C -0.826 173.792 174.600 0.029 0.000 1.139 26 S CA -0.184 58.029 58.200 0.021 0.000 0.954 26 S CB 1.188 64.399 63.200 0.019 0.000 1.054 26 S HN 1.147 nan 8.310 nan 0.000 0.483 27 E N 2.012 122.239 120.200 0.044 0.000 2.418 27 E HA 0.319 4.669 4.350 -0.000 0.000 0.261 27 E C 0.396 177.035 176.600 0.065 0.000 1.070 27 E CA -0.492 55.937 56.400 0.048 0.000 0.931 27 E CB 0.400 30.131 29.700 0.052 0.000 0.954 27 E HN 0.612 nan 8.360 nan 0.000 0.439 28 V N -0.354 119.585 119.914 0.042 0.000 2.771 28 V HA 0.449 4.569 4.120 -0.000 0.000 0.355 28 V C 1.131 177.199 176.094 -0.044 0.000 1.289 28 V CA -0.082 62.225 62.300 0.011 0.000 1.231 28 V CB 0.197 31.966 31.823 -0.090 0.000 1.396 28 V HN 0.791 nan 8.190 nan 0.000 0.628 29 G N 1.790 110.633 108.800 0.071 0.000 2.507 29 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 29 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 29 G C 1.302 176.229 174.900 0.044 0.000 1.119 29 G CA 1.691 46.823 45.100 0.052 0.000 0.751 29 G HN 0.924 nan 8.290 nan 0.000 0.574 30 H N -0.310 118.751 119.070 -0.015 0.000 2.529 30 H HA 0.206 4.762 4.556 -0.000 0.000 0.277 30 H C 2.096 177.408 175.328 -0.027 0.000 0.999 30 H CA 0.751 56.787 56.048 -0.020 0.000 1.256 30 H CB -0.189 29.559 29.762 -0.023 0.000 1.402 30 H HN 0.454 nan 8.280 nan 0.000 0.566 31 I N 0.482 120.730 120.570 -0.536 0.000 2.899 31 I HA 0.345 4.515 4.170 -0.000 0.000 0.257 31 I C 0.807 176.815 176.117 -0.182 0.000 1.115 31 I CA 0.640 61.716 61.300 -0.374 0.000 1.451 31 I CB 0.412 38.140 38.000 -0.454 0.000 1.251 31 I HN 0.325 nan 8.210 nan 0.000 0.456 32 A N -0.048 122.684 122.820 -0.146 0.000 2.555 32 A HA 0.472 4.792 4.320 -0.000 0.000 0.297 32 A C 0.174 177.737 177.584 -0.035 0.000 1.060 32 A CA -0.642 51.357 52.037 -0.064 0.000 0.710 32 A CB 1.053 20.026 19.000 -0.046 0.000 1.282 32 A HN -0.017 nan 8.150 nan 0.000 0.399 33 R N 0.423 120.918 120.500 -0.008 0.000 2.119 33 R HA 0.020 4.360 4.340 -0.000 0.000 0.222 33 R C 0.811 177.119 176.300 0.013 0.000 1.088 33 R CA 1.839 57.943 56.100 0.006 0.000 0.984 33 R CB -0.100 30.208 30.300 0.013 0.000 0.884 33 R HN 0.942 nan 8.270 nan 0.000 0.447 34 T N -3.229 111.336 114.554 0.018 0.000 2.901 34 T HA 0.277 4.627 4.350 -0.000 0.000 0.293 34 T C 0.720 175.442 174.700 0.036 0.000 1.084 34 T CA -0.901 61.213 62.100 0.024 0.000 1.008 34 T CB 1.694 70.575 68.868 0.022 0.000 1.170 34 T HN -0.069 nan 8.240 nan 0.000 0.509 35 L N 0.774 122.018 121.223 0.035 0.000 2.109 35 L HA 0.122 4.462 4.340 -0.000 0.000 0.207 35 L C 2.684 179.600 176.870 0.076 0.000 1.086 35 L CA 1.933 56.807 54.840 0.058 0.000 0.760 35 L CB -1.125 40.950 42.059 0.027 0.000 0.910 35 L HN 0.908 nan 8.230 nan 0.000 0.437 36 Q N 0.165 119.995 119.800 0.051 0.000 2.077 36 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 36 Q C 2.186 178.258 176.000 0.120 0.000 0.989 36 Q CA 2.458 58.311 55.803 0.084 0.000 0.853 36 Q CB -0.596 28.186 28.738 0.074 0.000 0.907 36 Q HN 0.597 nan 8.270 nan 0.000 0.418 37 A N 0.244 123.121 122.820 0.095 0.000 1.908 37 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 37 A C 2.314 179.958 177.584 0.100 0.000 1.181 37 A CA 2.170 54.260 52.037 0.087 0.000 0.627 37 A CB -1.295 17.737 19.000 0.054 0.000 0.818 37 A HN 0.558 nan 8.150 nan 0.000 0.445 38 A N -0.335 122.552 122.820 0.111 0.000 1.902 38 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 38 A C 2.181 179.966 177.584 0.335 0.000 1.181 38 A CA 1.560 53.688 52.037 0.151 0.000 0.623 38 A CB -0.640 18.449 19.000 0.148 0.000 0.818 38 A HN 0.478 nan 8.150 nan 0.000 0.443 39 L N -0.457 120.965 121.223 0.330 0.000 2.046 39 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 39 L C 2.040 179.047 176.870 0.229 0.000 1.077 39 L CA 1.435 56.453 54.840 0.297 0.000 0.747 39 L CB -0.678 41.444 42.059 0.105 0.000 0.896 39 L HN 0.282 nan 8.230 nan 0.000 0.432 40 D N -0.444 120.059 120.400 0.171 0.000 2.182 40 D HA -0.192 4.448 4.640 -0.000 0.000 0.201 40 D C 1.029 177.411 176.300 0.137 0.000 0.986 40 D CA 1.355 55.433 54.000 0.130 0.000 0.847 40 D CB -0.112 40.752 40.800 0.106 0.000 0.942 40 D HN 0.232 nan 8.370 nan 0.000 0.467 41 D N -1.069 119.428 120.400 0.161 0.000 2.804 41 D HA -0.010 4.630 4.640 -0.000 0.000 0.308 41 D C 1.004 177.400 176.300 0.161 0.000 1.371 41 D CA -0.513 53.580 54.000 0.155 0.000 0.823 41 D CB -0.341 40.522 40.800 0.105 0.000 1.126 41 D HN 0.123 nan 8.370 nan 0.000 0.467 42 W N 1.212 122.520 121.300 0.014 0.000 2.342 42 W HA -0.222 4.438 4.660 -0.000 0.000 0.297 42 W C 1.531 178.015 176.519 -0.058 0.000 1.213 42 W CA 1.714 59.048 57.345 -0.018 0.000 1.251 42 W CB -0.094 29.351 29.460 -0.024 0.000 1.136 42 W HN 0.230 nan 8.180 nan 0.000 0.526 43 A N -0.061 122.771 122.820 0.021 0.000 1.986 43 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 43 A C 1.461 178.778 177.584 -0.445 0.000 1.171 43 A CA 2.289 54.202 52.037 -0.206 0.000 0.640 43 A CB -1.070 17.767 19.000 -0.271 0.000 0.811 43 A HN 0.576 nan 8.150 nan 0.000 0.451 44 H N -2.018 116.969 119.070 -0.140 0.000 2.460 44 H HA 0.408 4.964 4.556 -0.000 0.000 0.297 44 H C 2.399 177.571 175.328 -0.259 0.000 1.023 44 H CA 0.693 56.643 56.048 -0.164 0.000 1.321 44 H CB -0.025 29.676 29.762 -0.101 0.000 1.455 44 H HN 0.455 nan 8.280 nan 0.000 0.539 45 A N 0.870 123.571 122.820 -0.198 0.000 1.930 45 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 45 A C 2.507 179.733 177.584 -0.597 0.000 1.175 45 A CA 1.375 53.220 52.037 -0.321 0.000 0.627 45 A CB -1.210 17.641 19.000 -0.247 0.000 0.815 45 A HN 0.473 nan 8.150 nan 0.000 0.443 46 G N 0.595 108.769 108.800 -1.043 0.000 2.545 46 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.217 46 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.217 46 G C -0.214 174.298 174.900 -0.647 0.000 1.218 46 G CA 1.366 45.634 45.100 -1.386 0.000 0.787 46 G HN 0.478 nan 8.290 nan 0.000 0.571 47 P HA -0.107 nan 4.420 nan 0.000 0.216 47 P C 1.912 179.040 177.300 -0.287 0.000 1.150 47 P CA 1.270 64.172 63.100 -0.330 0.000 0.843 47 P CB -0.084 31.466 31.700 -0.250 0.000 0.787 48 R N -0.902 119.438 120.500 -0.267 0.000 2.073 48 R HA 0.035 4.375 4.340 -0.000 0.000 0.229 48 R C 2.402 178.584 176.300 -0.196 0.000 1.120 48 R CA 0.954 56.935 56.100 -0.197 0.000 0.967 48 R CB -1.010 29.186 30.300 -0.174 0.000 0.862 48 R HN 0.231 nan 8.270 nan 0.000 0.436 49 L N 0.971 122.043 121.223 -0.251 0.000 2.131 49 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 49 L C 2.187 178.979 176.870 -0.130 0.000 1.092 49 L CA 1.381 56.109 54.840 -0.187 0.000 0.759 49 L CB -0.440 41.489 42.059 -0.217 0.000 0.903 49 L HN 0.251 nan 8.230 nan 0.000 0.435 50 E N -0.002 120.077 120.200 -0.202 0.000 2.077 50 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 50 E C 2.356 178.851 176.600 -0.174 0.000 0.989 50 E CA 0.984 57.241 56.400 -0.239 0.000 0.800 50 E CB -0.055 29.244 29.700 -0.667 0.000 0.746 50 E HN 0.396 nan 8.360 nan 0.000 0.452 51 R N 0.359 120.753 120.500 -0.177 0.000 2.081 51 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 51 R C 2.436 178.715 176.300 -0.035 0.000 1.131 51 R CA 1.116 57.155 56.100 -0.102 0.000 0.960 51 R CB -0.269 29.976 30.300 -0.092 0.000 0.856 51 R HN 0.044 nan 8.270 nan 0.000 0.436 52 V N 0.811 120.708 119.914 -0.028 0.000 2.295 52 V HA -0.276 3.843 4.120 -0.000 0.000 0.246 52 V C 2.421 178.523 176.094 0.014 0.000 1.049 52 V CA 1.996 64.298 62.300 0.003 0.000 1.024 52 V CB -0.780 31.045 31.823 0.004 0.000 0.648 52 V HN 0.450 nan 8.190 nan 0.000 0.447 53 A N -0.155 122.683 122.820 0.030 0.000 1.892 53 A HA -0.340 3.980 4.320 -0.000 0.000 0.218 53 A C 2.271 179.901 177.584 0.076 0.000 1.188 53 A CA 2.379 54.455 52.037 0.064 0.000 0.631 53 A CB -0.607 18.484 19.000 0.152 0.000 0.822 53 A HN 0.680 nan 8.150 nan 0.000 0.447 54 E N -0.632 119.629 120.200 0.102 0.000 2.077 54 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 54 E C 2.019 178.643 176.600 0.041 0.000 0.989 54 E CA 1.201 57.656 56.400 0.091 0.000 0.800 54 E CB -0.545 29.206 29.700 0.085 0.000 0.746 54 E HN 0.476 nan 8.360 nan 0.000 0.452 55 G N 0.867 109.681 108.800 0.023 0.000 2.432 55 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.219 55 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.219 55 G C 1.574 176.478 174.900 0.007 0.000 1.135 55 G CA 0.825 45.932 45.100 0.011 0.000 0.767 55 G HN 0.280 nan 8.290 nan 0.000 0.550 56 I N -0.120 120.453 120.570 0.006 0.000 2.286 56 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 56 I C 2.790 178.901 176.117 -0.009 0.000 1.104 56 I CA 0.857 62.153 61.300 -0.006 0.000 1.397 56 I CB -0.108 37.881 38.000 -0.018 0.000 1.072 56 I HN 0.165 nan 8.210 nan 0.000 0.417 57 E N 0.398 120.597 120.200 -0.003 0.000 2.051 57 E HA -0.243 4.106 4.350 -0.000 0.000 0.192 57 E C 2.197 178.796 176.600 -0.001 0.000 0.991 57 E CA 2.271 58.667 56.400 -0.007 0.000 0.799 57 E CB -0.086 29.616 29.700 0.003 0.000 0.748 57 E HN 0.542 nan 8.360 nan 0.000 0.449 58 T N -3.387 111.171 114.554 0.007 0.000 3.055 58 T HA 0.103 4.453 4.350 -0.000 0.000 0.265 58 T C 1.489 176.190 174.700 0.002 0.000 1.111 58 T CA 1.159 63.263 62.100 0.007 0.000 1.118 58 T CB 0.360 69.236 68.868 0.012 0.000 0.909 58 T HN 0.307 nan 8.240 nan 0.000 0.501 59 G N 0.500 109.300 108.800 -0.001 0.000 2.176 59 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.232 59 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.232 59 G C 1.072 175.971 174.900 -0.002 0.000 0.986 59 G CA 0.158 45.257 45.100 -0.003 0.000 0.643 59 G HN 1.084 nan 8.290 nan 0.000 0.522 60 A N -0.669 122.150 122.820 -0.001 0.000 2.119 60 A HA 0.435 4.755 4.320 -0.000 0.000 0.217 60 A C 1.327 178.908 177.584 -0.006 0.000 1.153 60 A CA 2.089 54.124 52.037 -0.004 0.000 0.692 60 A CB 0.017 19.016 19.000 -0.003 0.000 0.799 60 A HN 0.838 nan 8.150 nan 0.000 0.458 61 Q N 0.833 120.631 119.800 -0.003 0.000 2.303 61 Q HA 0.444 4.784 4.340 -0.000 0.000 0.257 61 Q C -2.875 173.124 176.000 -0.002 0.000 0.941 61 Q CA -2.579 53.223 55.803 -0.002 0.000 0.931 61 Q CB 0.845 29.585 28.738 0.003 0.000 1.215 61 Q HN 0.118 nan 8.270 nan 0.000 0.437 62 P HA 0.164 nan 4.420 nan 0.000 0.268 62 P C -1.056 176.246 177.300 0.005 0.000 1.205 62 P CA -0.036 63.064 63.100 -0.001 0.000 0.771 62 P CB 0.992 32.690 31.700 -0.004 0.000 0.858 66 F N 3.758 123.510 119.950 -0.331 0.000 2.405 66 F HA 0.475 5.002 4.527 -0.000 0.000 0.355 66 F C -0.698 174.838 175.800 -0.440 0.000 1.121 66 F CA -0.340 57.493 58.000 -0.279 0.000 1.112 66 F CB 0.733 39.644 39.000 -0.150 0.000 1.126 66 F HN 0.587 nan 8.300 nan 0.000 0.481 67 H N 5.001 123.598 119.070 -0.787 0.000 2.595 67 H HA 0.230 4.786 4.556 -0.000 0.000 0.313 67 H C 0.826 175.498 175.328 -1.092 0.000 1.023 67 H CA -0.441 55.111 56.048 -0.827 0.000 1.218 67 H CB 1.262 30.532 29.762 -0.821 0.000 1.403 67 H HN 0.701 nan 8.280 nan 0.000 0.477 68 E N 1.490 121.279 120.200 -0.686 0.000 2.130 68 E HA -0.265 4.084 4.350 -0.000 0.000 0.196 68 E C 1.110 177.558 176.600 -0.254 0.000 0.998 68 E CA 1.596 57.746 56.400 -0.418 0.000 0.806 68 E CB -0.021 29.623 29.700 -0.093 0.000 0.738 68 E HN 0.814 nan 8.360 nan 0.000 0.459 69 H N -0.519 118.486 119.070 -0.107 0.000 2.559 69 H HA 0.045 4.601 4.556 -0.000 0.000 0.273 69 H C 0.891 176.178 175.328 -0.069 0.000 1.000 69 H CA 0.918 56.927 56.048 -0.065 0.000 1.195 69 H CB 0.088 29.820 29.762 -0.051 0.000 1.368 69 H HN -0.004 nan 8.280 nan 0.000 0.592 70 D N 0.392 120.561 120.400 -0.385 0.000 2.360 70 D HA 0.261 4.901 4.640 -0.000 0.000 0.210 70 D C 0.643 176.870 176.300 -0.121 0.000 1.047 70 D CA 0.428 54.303 54.000 -0.207 0.000 0.854 70 D CB 0.219 40.868 40.800 -0.251 0.000 0.936 70 D HN 0.557 nan 8.370 nan 0.000 0.514 71 A N 0.564 123.301 122.820 -0.138 0.000 2.340 71 A HA 0.671 4.991 4.320 -0.000 0.000 0.268 71 A C 0.478 178.077 177.584 0.024 0.000 1.100 71 A CA -0.294 51.730 52.037 -0.021 0.000 0.803 71 A CB 0.756 19.774 19.000 0.031 0.000 1.043 71 A HN 0.131 nan 8.150 nan 0.000 0.488 72 A N 1.300 124.150 122.820 0.050 0.000 2.274 72 A HA 0.672 4.992 4.320 -0.000 0.000 0.297 72 A C 0.757 178.381 177.584 0.067 0.000 1.191 72 A CA -0.311 51.760 52.037 0.056 0.000 0.889 72 A CB -0.099 18.932 19.000 0.051 0.000 1.294 72 A HN 0.929 nan 8.150 nan 0.000 0.506 73 S N 0.964 116.710 115.700 0.077 0.000 2.568 73 S HA 0.185 4.655 4.470 -0.000 0.000 0.282 73 S C -1.645 172.949 174.600 -0.011 0.000 1.338 73 S CA -0.415 57.818 58.200 0.055 0.000 1.045 73 S CB 0.471 63.730 63.200 0.098 0.000 0.873 73 S HN 0.492 nan 8.310 nan 0.000 0.516 74 P HA -0.066 nan 4.420 nan 0.000 0.217 74 P C -0.209 177.035 177.300 -0.094 0.000 1.151 74 P CA 1.186 64.241 63.100 -0.075 0.000 0.849 74 P CB 0.120 31.748 31.700 -0.120 0.000 0.787 75 L N -0.900 120.221 121.223 -0.168 0.000 2.301 75 L HA 0.293 4.633 4.340 -0.000 0.000 0.278 75 L C -1.682 175.194 176.870 0.011 0.000 1.022 75 L CA -1.895 52.881 54.840 -0.106 0.000 0.854 75 L CB 1.845 43.813 42.059 -0.153 0.000 1.226 75 L HN -0.119 nan 8.230 nan 0.000 0.429 76 P HA -0.098 nan 4.420 nan 0.000 0.217 76 P C -0.326 176.998 177.300 0.041 0.000 1.150 76 P CA 1.102 64.250 63.100 0.080 0.000 0.832 76 P CB 0.177 31.892 31.700 0.024 0.000 0.787 77 R N -0.917 119.540 120.500 -0.072 0.000 2.686 77 R HA 0.831 5.171 4.340 -0.000 0.000 0.283 77 R C -1.295 174.853 176.300 -0.254 0.000 0.978 77 R CA -1.065 54.908 56.100 -0.212 0.000 0.897 77 R CB 2.054 32.216 30.300 -0.231 0.000 1.192 77 R HN -0.184 nan 8.270 nan 0.000 0.457 78 A N 1.917 124.576 122.820 -0.268 0.000 2.423 78 A HA 0.612 4.932 4.320 -0.000 0.000 0.304 78 A C -0.562 176.861 177.584 -0.267 0.000 1.104 78 A CA -0.928 50.973 52.037 -0.227 0.000 0.757 78 A CB 0.758 19.805 19.000 0.079 0.000 1.313 78 A HN 0.694 nan 8.150 nan 0.000 0.423 79 F N -0.320 119.657 119.950 0.046 0.000 2.615 79 F HA 0.210 4.737 4.527 -0.000 0.000 0.297 79 F C 1.156 176.999 175.800 0.072 0.000 1.124 79 F CA 1.233 59.259 58.000 0.043 0.000 1.451 79 F CB 0.258 39.277 39.000 0.031 0.000 1.103 79 F HN 0.643 nan 8.300 nan 0.000 0.569 80 Q N -0.520 119.432 119.800 0.253 0.000 2.327 80 Q HA 0.161 4.501 4.340 -0.000 0.000 0.265 80 Q C -1.934 174.274 176.000 0.347 0.000 0.993 80 Q CA -0.563 55.384 55.803 0.240 0.000 0.885 80 Q CB 1.643 30.488 28.738 0.178 0.000 1.379 80 Q HN 0.330 nan 8.270 nan 0.000 0.408 81 W N 4.870 126.243 121.300 0.121 0.000 2.499 81 W HA 0.806 5.466 4.660 -0.000 0.000 0.320 81 W C -2.013 174.521 176.519 0.025 0.000 1.010 81 W CA -0.637 56.799 57.345 0.151 0.000 1.267 81 W CB 1.225 30.891 29.460 0.343 0.000 1.316 81 W HN 0.797 nan 8.180 nan 0.000 0.431 82 A N 4.659 127.317 122.820 -0.270 0.000 2.343 82 A HA 0.445 4.765 4.320 -0.000 0.000 0.308 82 A C -1.768 175.344 177.584 -0.785 0.000 1.092 82 A CA -0.463 51.253 52.037 -0.535 0.000 0.751 82 A CB 1.748 20.628 19.000 -0.200 0.000 1.203 82 A HN 0.558 nan 8.150 nan 0.000 0.452 83 D N 1.780 121.537 120.400 -1.071 0.000 2.492 83 D HA 0.566 5.206 4.640 -0.000 0.000 0.248 83 D C 0.592 176.647 176.300 -0.407 0.000 1.101 83 D CA 0.391 53.847 54.000 -0.906 0.000 0.840 83 D CB 1.554 41.578 40.800 -1.293 0.000 1.209 83 D HN 0.680 nan 8.370 nan 0.000 0.524 84 G N 1.044 109.736 108.800 -0.179 0.000 2.563 84 G HA2 0.410 4.370 3.960 -0.000 0.000 0.283 84 G HA3 0.410 4.370 3.960 -0.000 0.000 0.283 84 G C -0.343 174.565 174.900 0.013 0.000 1.309 84 G CA -0.554 44.498 45.100 -0.081 0.000 1.022 84 G HN 0.388 nan 8.290 nan 0.000 0.501 85 S N -0.259 115.470 115.700 0.048 0.000 2.062 85 S HA 0.407 4.877 4.470 -0.000 0.000 0.163 85 S C 1.129 175.825 174.600 0.160 0.000 1.612 85 S CA 0.083 58.359 58.200 0.127 0.000 1.251 85 S CB 0.900 64.197 63.200 0.161 0.000 1.174 85 S HN 0.864 nan 8.310 nan 0.000 0.428 86 A N 0.657 123.547 122.820 0.117 0.000 2.066 86 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 86 A C 0.213 177.701 177.584 -0.161 0.000 1.157 86 A CA 0.855 52.898 52.037 0.009 0.000 0.670 86 A CB -0.337 18.509 19.000 -0.256 0.000 0.804 86 A HN 0.656 nan 8.150 nan 0.000 0.453 87 Y N -0.248 120.089 120.300 0.060 0.000 2.751 87 Y HA 0.314 4.864 4.550 -0.000 0.000 0.333 87 Y C 1.202 177.161 175.900 0.097 0.000 1.122 87 Y CA -0.545 57.597 58.100 0.071 0.000 1.367 87 Y CB 0.430 38.931 38.460 0.068 0.000 1.242 87 Y HN -0.047 nan 8.280 nan 0.000 0.505 88 V N 1.389 121.378 119.914 0.124 0.000 2.720 88 V HA -0.311 3.808 4.120 -0.000 0.000 0.256 88 V C 2.200 178.251 176.094 -0.072 0.000 1.082 88 V CA 1.891 64.157 62.300 -0.056 0.000 1.101 88 V CB -0.476 31.103 31.823 -0.407 0.000 0.693 88 V HN 0.757 nan 8.190 nan 0.000 0.479 89 N N 0.875 119.664 118.700 0.148 0.000 2.069 89 N HA -0.311 4.429 4.740 -0.000 0.000 0.196 89 N C 1.794 177.379 175.510 0.125 0.000 1.024 89 N CA 2.501 55.665 53.050 0.189 0.000 0.869 89 N CB -0.375 38.259 38.487 0.246 0.000 1.035 89 N HN 0.705 nan 8.380 nan 0.000 0.434 90 H N -0.625 118.502 119.070 0.095 0.000 2.319 90 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 90 H C 2.032 177.379 175.328 0.031 0.000 1.092 90 H CA 2.690 58.784 56.048 0.078 0.000 1.302 90 H CB -0.388 29.436 29.762 0.104 0.000 1.373 90 H HN 0.191 nan 8.280 nan 0.000 0.497 91 V N -1.098 118.857 119.914 0.068 0.000 2.626 91 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 91 V C 2.097 178.091 176.094 -0.167 0.000 1.067 91 V CA 2.130 64.409 62.300 -0.034 0.000 1.081 91 V CB -0.622 31.227 31.823 0.044 0.000 0.686 91 V HN 0.543 nan 8.190 nan 0.000 0.468 92 E N -0.006 120.092 120.200 -0.170 0.000 2.072 92 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 92 E C 2.197 178.729 176.600 -0.113 0.000 0.985 92 E CA 1.207 57.508 56.400 -0.164 0.000 0.801 92 E CB -0.073 29.573 29.700 -0.089 0.000 0.750 92 E HN 0.496 nan 8.360 nan 0.000 0.452 93 L N 0.810 121.969 121.223 -0.106 0.000 2.012 93 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 93 L C 2.564 179.352 176.870 -0.136 0.000 1.073 93 L CA 1.216 55.990 54.840 -0.111 0.000 0.748 93 L CB -1.259 40.717 42.059 -0.138 0.000 0.891 93 L HN 0.185 nan 8.230 nan 0.000 0.431 94 V N -0.008 119.795 119.914 -0.185 0.000 2.380 94 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 94 V C 2.766 178.795 176.094 -0.108 0.000 1.063 94 V CA 1.536 63.752 62.300 -0.141 0.000 1.055 94 V CB -0.576 31.169 31.823 -0.130 0.000 0.657 94 V HN 0.443 nan 8.190 nan 0.000 0.455 95 R N 0.352 120.774 120.500 -0.130 0.000 2.073 95 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 95 R C 2.243 178.493 176.300 -0.083 0.000 1.120 95 R CA 1.061 57.087 56.100 -0.123 0.000 0.967 95 R CB -0.622 29.572 30.300 -0.177 0.000 0.862 95 R HN 0.511 nan 8.270 nan 0.000 0.436 96 K N 0.995 121.352 120.400 -0.071 0.000 2.063 96 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 96 K C 1.973 178.548 176.600 -0.042 0.000 1.048 96 K CA 1.536 57.795 56.287 -0.046 0.000 0.928 96 K CB -0.230 32.251 32.500 -0.033 0.000 0.713 96 K HN 0.130 nan 8.250 nan 0.000 0.442 97 A N 1.260 124.050 122.820 -0.050 0.000 2.259 97 A HA -0.112 4.208 4.320 -0.000 0.000 0.212 97 A C 1.430 178.994 177.584 -0.034 0.000 1.178 97 A CA 0.992 53.004 52.037 -0.042 0.000 0.734 97 A CB -0.217 18.754 19.000 -0.049 0.000 0.774 97 A HN 0.231 nan 8.150 nan 0.000 0.481 98 R N -1.460 119.017 120.500 -0.038 0.000 2.508 98 R HA 0.114 4.454 4.340 -0.000 0.000 0.300 98 R C -0.280 176.002 176.300 -0.029 0.000 0.970 98 R CA -0.105 55.976 56.100 -0.032 0.000 1.102 98 R CB 0.231 30.509 30.300 -0.037 0.000 1.246 98 R HN 0.360 nan 8.270 nan 0.000 0.539 99 N N 0.579 119.261 118.700 -0.029 0.000 2.725 99 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 99 N C -0.909 174.585 175.510 -0.027 0.000 1.103 99 N CA 1.170 54.205 53.050 -0.024 0.000 0.707 99 N CB -0.937 37.540 38.487 -0.017 0.000 1.043 99 N HN 0.417 nan 8.380 nan 0.000 0.553 100 A N -0.583 122.213 122.820 -0.040 0.000 2.312 100 A HA 0.578 4.898 4.320 -0.000 0.000 0.326 100 A C 0.644 178.195 177.584 -0.055 0.000 1.172 100 A CA -0.528 51.480 52.037 -0.049 0.000 0.821 100 A CB 1.302 20.263 19.000 -0.065 0.000 1.166 100 A HN 0.117 nan 8.150 nan 0.000 0.493 104 A N 0.839 123.796 122.820 0.227 0.000 2.019 104 A HA -0.108 4.211 4.320 -0.000 0.000 0.219 104 A C 1.955 179.739 177.584 0.334 0.000 1.164 104 A CA 2.289 54.520 52.037 0.323 0.000 0.644 104 A CB -0.880 18.268 19.000 0.245 0.000 0.805 104 A HN 0.736 nan 8.150 nan 0.000 0.449 105 S N -0.804 115.049 115.700 0.255 0.000 2.419 105 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 105 S C 1.518 176.203 174.600 0.141 0.000 1.019 105 S CA 1.395 59.698 58.200 0.171 0.000 0.982 105 S CB -0.879 62.365 63.200 0.073 0.000 0.789 105 S HN 0.386 nan 8.310 nan 0.000 0.490 106 F N 0.536 120.472 119.950 -0.022 0.000 2.408 106 F HA 0.103 4.630 4.527 -0.000 0.000 0.300 106 F C 1.654 177.396 175.800 -0.096 0.000 1.090 106 F CA 0.340 58.270 58.000 -0.115 0.000 1.427 106 F CB -0.695 38.135 39.000 -0.282 0.000 1.070 106 F HN 0.261 nan 8.300 nan 0.000 0.549 107 W N -0.570 120.878 121.300 0.246 0.000 3.047 107 W HA 0.012 4.672 4.660 -0.000 0.000 0.250 107 W C 1.844 178.430 176.519 0.112 0.000 1.314 107 W CA 0.964 58.371 57.345 0.104 0.000 1.540 107 W CB -0.159 29.326 29.460 0.042 0.000 1.127 107 W HN -0.055 nan 8.180 nan 0.000 0.679 108 T N -5.314 109.492 114.554 0.419 0.000 2.986 108 T HA 0.084 4.433 4.350 -0.000 0.000 0.264 108 T C -0.311 174.584 174.700 0.325 0.000 0.964 108 T CA -0.132 62.194 62.100 0.378 0.000 0.895 108 T CB 0.273 69.273 68.868 0.219 0.000 1.163 108 T HN -0.222 nan 8.240 nan 0.000 0.517 109 D N 2.829 123.331 120.400 0.170 0.000 2.440 109 D HA 0.466 5.106 4.640 -0.000 0.000 0.252 109 D C -2.979 173.029 176.300 -0.486 0.000 1.180 109 D CA -2.151 51.741 54.000 -0.179 0.000 0.894 109 D CB 1.834 42.532 40.800 -0.171 0.000 1.111 109 D HN 0.020 nan 8.370 nan 0.000 0.544 110 P HA 0.138 nan 4.420 nan 0.000 0.268 110 P C -0.374 176.466 177.300 -0.766 0.000 1.205 110 P CA -0.125 62.249 63.100 -1.210 0.000 0.771 110 P CB 0.666 31.470 31.700 -1.493 0.000 0.858 111 L N 3.667 124.654 121.223 -0.394 0.000 2.334 111 L HA 0.558 4.898 4.340 -0.000 0.000 0.277 111 L C 0.459 177.241 176.870 -0.147 0.000 1.075 111 L CA -0.349 54.372 54.840 -0.198 0.000 0.804 111 L CB 0.644 42.704 42.059 0.002 0.000 1.174 111 L HN 0.354 nan 8.230 nan 0.000 0.438 112 I N 2.640 123.187 120.570 -0.039 0.000 2.752 112 I HA 0.374 4.544 4.170 -0.000 0.000 0.295 112 I C -1.599 174.580 176.117 0.103 0.000 1.219 112 I CA -0.585 60.710 61.300 -0.009 0.000 1.030 112 I CB 2.255 40.251 38.000 -0.007 0.000 1.259 112 I HN 0.595 nan 8.210 nan 0.000 0.423 113 Y N 4.344 124.624 120.300 -0.034 0.000 2.499 113 Y HA 0.672 5.222 4.550 -0.000 0.000 0.347 113 Y C -0.889 174.967 175.900 -0.074 0.000 0.987 113 Y CA -1.167 56.943 58.100 0.017 0.000 1.044 113 Y CB 1.148 39.725 38.460 0.194 0.000 1.245 113 Y HN 0.545 nan 8.280 nan 0.000 0.461 114 Q N 2.301 122.136 119.800 0.058 0.000 2.295 114 Q HA 0.565 4.904 4.340 -0.000 0.000 0.259 114 Q C -0.234 175.806 176.000 0.066 0.000 0.976 114 Q CA 0.265 56.051 55.803 -0.030 0.000 0.923 114 Q CB 0.922 29.707 28.738 0.079 0.000 1.185 114 Q HN 1.025 nan 8.270 nan 0.000 0.410 115 G N 1.768 110.472 108.800 -0.159 0.000 2.537 115 G HA2 0.603 4.563 3.960 -0.000 0.000 0.323 115 G HA3 0.603 4.563 3.960 -0.000 0.000 0.323 115 G C -0.553 174.535 174.900 0.313 0.000 1.207 115 G CA -0.672 44.496 45.100 0.115 0.000 0.976 115 G HN 0.744 nan 8.290 nan 0.000 0.487 116 G N -0.813 108.175 108.800 0.314 0.000 2.343 116 G HA2 0.391 4.351 3.960 -0.000 0.000 0.254 116 G HA3 0.391 4.351 3.960 -0.000 0.000 0.254 116 G C 0.875 175.841 174.900 0.109 0.000 1.277 116 G CA 0.576 45.758 45.100 0.136 0.000 0.909 116 G HN 1.179 nan 8.290 nan 0.000 0.502 117 S N 0.143 115.782 115.700 -0.101 0.000 2.603 117 S HA 0.066 4.536 4.470 -0.000 0.000 0.232 117 S C 0.914 175.056 174.600 -0.763 0.000 1.016 117 S CA 0.356 58.302 58.200 -0.425 0.000 0.976 117 S CB 0.516 63.751 63.200 0.059 0.000 0.921 117 S HN 0.640 nan 8.310 nan 0.000 0.516 118 D N 0.646 120.736 120.400 -0.517 0.000 2.369 118 D HA 0.180 4.820 4.640 -0.000 0.000 0.211 118 D C 0.098 176.197 176.300 -0.336 0.000 1.077 118 D CA -0.130 53.656 54.000 -0.357 0.000 0.842 118 D CB 0.236 40.934 40.800 -0.170 0.000 0.947 118 D HN 0.274 nan 8.370 nan 0.000 0.509 119 S N 0.087 115.518 115.700 -0.448 0.000 2.801 119 S HA 0.188 4.658 4.470 -0.000 0.000 0.236 119 S C -0.530 173.990 174.600 -0.134 0.000 0.852 119 S CA -0.669 57.397 58.200 -0.223 0.000 1.089 119 S CB -0.303 62.815 63.200 -0.136 0.000 1.376 119 S HN 0.023 nan 8.310 nan 0.000 0.470 120 F N 2.045 121.978 119.950 -0.028 0.000 2.563 120 F HA 0.226 4.753 4.527 -0.000 0.000 0.363 120 F C 0.899 176.692 175.800 -0.011 0.000 1.123 120 F CA -0.646 57.345 58.000 -0.014 0.000 1.307 120 F CB 0.167 39.191 39.000 0.041 0.000 1.115 120 F HN 0.145 nan 8.300 nan 0.000 0.592 121 L N 2.117 123.456 121.223 0.193 0.000 2.436 121 L HA 0.388 4.728 4.340 -0.000 0.000 0.265 121 L C 1.060 177.984 176.870 0.091 0.000 1.168 121 L CA -0.470 54.426 54.840 0.095 0.000 0.815 121 L CB 0.085 42.171 42.059 0.045 0.000 1.109 121 L HN 0.740 nan 8.230 nan 0.000 0.462 122 G N 0.710 109.549 108.800 0.065 0.000 2.572 122 G HA2 0.266 4.226 3.960 -0.000 0.000 0.261 122 G HA3 0.266 4.226 3.960 -0.000 0.000 0.261 122 G C -1.674 173.248 174.900 0.037 0.000 1.197 122 G CA -0.911 44.223 45.100 0.057 0.000 0.870 122 G HN 0.517 nan 8.290 nan 0.000 0.548 123 P HA -0.052 nan 4.420 nan 0.000 0.222 123 P C 0.999 178.315 177.300 0.027 0.000 1.147 123 P CA 0.783 63.898 63.100 0.024 0.000 0.790 123 P CB 0.407 32.134 31.700 0.045 0.000 0.780 124 R N -0.710 119.812 120.500 0.037 0.000 2.472 124 R HA 0.210 4.550 4.340 -0.000 0.000 0.279 124 R C -0.053 176.269 176.300 0.037 0.000 0.953 124 R CA -0.246 55.880 56.100 0.043 0.000 1.088 124 R CB -0.328 30.014 30.300 0.070 0.000 1.197 124 R HN 0.211 nan 8.270 nan 0.000 0.536 125 D N 3.125 123.545 120.400 0.034 0.000 2.372 125 D HA 0.121 4.760 4.640 -0.000 0.000 0.243 125 D C -2.049 174.268 176.300 0.029 0.000 1.121 125 D CA -1.464 52.555 54.000 0.033 0.000 0.898 125 D CB 0.847 41.669 40.800 0.036 0.000 1.202 125 D HN -0.021 nan 8.370 nan 0.000 0.428 126 P HA 0.149 nan 4.420 nan 0.000 0.272 126 P C -0.105 177.220 177.300 0.042 0.000 1.223 126 P CA -0.224 62.896 63.100 0.034 0.000 0.784 126 P CB 0.782 32.500 31.700 0.031 0.000 0.923 127 I N 2.878 123.479 120.570 0.050 0.000 2.294 127 I HA 0.149 4.319 4.170 -0.000 0.000 0.295 127 I C 0.827 177.002 176.117 0.097 0.000 1.098 127 I CA -0.178 61.160 61.300 0.062 0.000 1.277 127 I CB -0.227 37.809 38.000 0.060 0.000 1.434 127 I HN 0.124 nan 8.210 nan 0.000 0.498 131 D N 0.390 120.469 120.400 -0.535 0.000 2.738 131 D HA 0.329 4.969 4.640 -0.000 0.000 0.218 131 D C -1.102 174.799 176.300 -0.665 0.000 1.345 131 D CA 0.304 53.849 54.000 -0.759 0.000 0.943 131 D CB 1.396 41.283 40.800 -1.521 0.000 1.514 131 D HN 0.127 nan 8.370 nan 0.000 0.585 132 D N 2.017 122.024 120.400 -0.653 0.000 2.319 132 D HA 0.108 4.748 4.640 -0.000 0.000 0.230 132 D C 1.098 177.198 176.300 -0.333 0.000 1.094 132 D CA -0.120 53.508 54.000 -0.620 0.000 0.856 132 D CB 0.082 40.188 40.800 -1.157 0.000 0.915 132 D HN 0.238 nan 8.370 nan 0.000 0.517 133 A N -0.386 122.253 122.820 -0.302 0.000 2.238 133 A HA 0.058 4.378 4.320 -0.000 0.000 0.208 133 A C 1.003 178.618 177.584 0.052 0.000 1.177 133 A CA -0.240 51.727 52.037 -0.118 0.000 0.804 133 A CB -0.764 18.169 19.000 -0.111 0.000 0.823 133 A HN 0.233 nan 8.150 nan 0.000 0.482 134 W N -0.307 120.943 121.300 -0.084 0.000 3.180 134 W HA 0.303 4.963 4.660 -0.000 0.000 0.254 134 W C 1.377 177.788 176.519 -0.179 0.000 1.318 134 W CA 0.271 57.560 57.345 -0.093 0.000 1.608 134 W CB -0.736 28.683 29.460 -0.067 0.000 1.124 134 W HN 0.597 nan 8.180 nan 0.000 0.694 135 G N 1.583 110.376 108.800 -0.012 0.000 2.289 135 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.280 135 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.280 135 G C 0.005 174.625 174.900 -0.466 0.000 1.089 135 G CA -0.492 44.366 45.100 -0.404 0.000 0.939 135 G HN 0.158 nan 8.290 nan 0.000 0.499 136 I N 0.425 120.918 120.570 -0.127 0.000 2.668 136 I HA 0.272 4.442 4.170 -0.000 0.000 0.285 136 I C 0.618 176.713 176.117 -0.036 0.000 1.168 136 I CA 0.261 61.529 61.300 -0.054 0.000 1.424 136 I CB 0.646 38.662 38.000 0.026 0.000 1.377 136 I HN 0.247 nan 8.210 nan 0.000 0.560 140 G N 3.400 112.194 108.800 -0.010 0.000 2.364 140 G HA2 0.435 4.395 3.960 -0.000 0.000 0.267 140 G HA3 0.435 4.395 3.960 -0.000 0.000 0.267 140 G C -0.298 174.587 174.900 -0.026 0.000 1.233 140 G CA 0.061 45.149 45.100 -0.020 0.000 0.885 140 G HN 0.443 nan 8.290 nan 0.000 0.490 141 E N 0.445 120.636 120.200 -0.015 0.000 2.456 141 E HA 0.667 5.017 4.350 -0.000 0.000 0.276 141 E C -0.484 176.154 176.600 0.063 0.000 0.981 141 E CA -1.109 55.319 56.400 0.047 0.000 0.814 141 E CB 1.973 31.743 29.700 0.117 0.000 1.382 141 E HN 0.622 nan 8.360 nan 0.000 0.459 142 A N 0.372 123.307 122.820 0.192 0.000 2.322 142 A HA 0.912 5.231 4.320 -0.000 0.000 0.327 142 A C -1.084 176.723 177.584 0.371 0.000 1.134 142 A CA -0.174 51.986 52.037 0.205 0.000 0.831 142 A CB 1.430 20.624 19.000 0.324 0.000 1.288 142 A HN 0.585 nan 8.150 nan 0.000 0.472 143 A N -0.247 122.673 122.820 0.168 0.000 2.572 143 A HA 0.726 5.046 4.320 -0.000 0.000 0.295 143 A C -0.565 176.884 177.584 -0.224 0.000 1.072 143 A CA 0.038 52.173 52.037 0.163 0.000 0.691 143 A CB 1.116 20.313 19.000 0.327 0.000 1.291 143 A HN 2.225 nan 8.150 nan 0.000 0.404 144 V N -0.765 118.953 119.914 -0.326 0.000 2.815 144 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 144 V C -0.475 175.503 176.094 -0.193 0.000 1.064 144 V CA -0.813 61.257 62.300 -0.383 0.000 0.952 144 V CB 1.475 32.986 31.823 -0.520 0.000 1.020 144 V HN 0.695 nan 8.190 nan 0.000 0.439 145 I N 4.010 124.445 120.570 -0.226 0.000 2.339 145 I HA 0.565 4.735 4.170 -0.000 0.000 0.290 145 I C -0.052 175.949 176.117 -0.194 0.000 0.994 145 I CA -0.939 60.249 61.300 -0.187 0.000 1.191 145 I CB 1.777 39.642 38.000 -0.226 0.000 1.343 145 I HN 0.736 nan 8.210 nan 0.000 0.458 146 V N 1.894 121.736 119.914 -0.121 0.000 2.713 146 V HA 0.515 4.635 4.120 -0.000 0.000 0.307 146 V C -0.042 175.979 176.094 -0.121 0.000 1.052 146 V CA -0.715 61.516 62.300 -0.114 0.000 0.967 146 V CB 1.903 33.702 31.823 -0.040 0.000 1.019 146 V HN 0.603 nan 8.190 nan 0.000 0.459 147 D N 0.916 121.231 120.400 -0.141 0.000 2.356 147 D HA 0.063 4.703 4.640 -0.000 0.000 0.258 147 D C -0.138 176.141 176.300 -0.034 0.000 1.279 147 D CA -0.135 53.807 54.000 -0.097 0.000 1.016 147 D CB 0.647 41.389 40.800 -0.097 0.000 1.107 147 D HN 0.769 nan 8.370 nan 0.000 0.544 148 D N -0.016 120.379 120.400 -0.009 0.000 2.493 148 D HA 0.054 4.694 4.640 -0.000 0.000 0.240 148 D C -0.405 175.895 176.300 -0.000 0.000 1.142 148 D CA 0.357 54.357 54.000 0.000 0.000 0.872 148 D CB 0.868 41.672 40.800 0.007 0.000 1.173 148 D HN -0.049 nan 8.370 nan 0.000 0.467 149 V N 4.961 124.876 119.914 0.002 0.000 2.448 149 V HA 0.280 4.400 4.120 -0.000 0.000 0.295 149 V C -1.936 174.158 176.094 0.001 0.000 1.025 149 V CA -1.504 60.799 62.300 0.004 0.000 0.859 149 V CB 1.930 33.758 31.823 0.010 0.000 0.988 149 V HN 0.433 nan 8.190 nan 0.000 0.431 153 A N 1.036 123.851 122.820 -0.008 0.000 2.520 153 A HA 0.594 4.914 4.320 -0.000 0.000 0.235 153 A C 1.186 178.775 177.584 0.009 0.000 1.065 153 A CA 1.019 53.058 52.037 0.004 0.000 0.764 153 A CB 0.069 19.074 19.000 0.009 0.000 1.002 153 A HN 1.270 nan 8.150 nan 0.000 0.502 154 T N 0.184 114.747 114.554 0.015 0.000 2.847 154 T HA 0.430 4.780 4.350 -0.000 0.000 0.279 154 T C 1.242 175.960 174.700 0.030 0.000 0.984 154 T CA -0.439 61.674 62.100 0.020 0.000 0.988 154 T CB 0.443 69.323 68.868 0.020 0.000 1.040 154 T HN 0.404 nan 8.240 nan 0.000 0.528 155 L N 0.146 121.389 121.223 0.034 0.000 2.083 155 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 155 L C 2.489 179.388 176.870 0.047 0.000 1.083 155 L CA 1.430 56.297 54.840 0.044 0.000 0.752 155 L CB -0.530 41.555 42.059 0.043 0.000 0.899 155 L HN 0.708 nan 8.230 nan 0.000 0.433 156 D N -0.056 120.368 120.400 0.040 0.000 2.097 156 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 156 D C 2.122 178.448 176.300 0.044 0.000 0.989 156 D CA 1.227 55.252 54.000 0.041 0.000 0.827 156 D CB 0.005 40.825 40.800 0.033 0.000 0.966 156 D HN 0.375 nan 8.370 nan 0.000 0.456 157 E N 0.423 120.645 120.200 0.037 0.000 2.072 157 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 157 E C 2.117 178.741 176.600 0.041 0.000 0.985 157 E CA 0.920 57.340 56.400 0.034 0.000 0.801 157 E CB -0.046 29.669 29.700 0.025 0.000 0.750 157 E HN 0.180 nan 8.360 nan 0.000 0.452 158 A N 1.521 124.371 122.820 0.049 0.000 1.908 158 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 158 A C 2.043 179.678 177.584 0.085 0.000 1.181 158 A CA 1.788 53.863 52.037 0.064 0.000 0.627 158 A CB -0.378 18.666 19.000 0.074 0.000 0.818 158 A HN 0.048 nan 8.150 nan 0.000 0.445 159 K N -0.626 119.830 120.400 0.092 0.000 2.026 159 K HA -0.026 4.294 4.320 -0.000 0.000 0.208 159 K C 2.023 178.689 176.600 0.110 0.000 1.048 159 K CA 1.119 57.479 56.287 0.121 0.000 0.929 159 K CB -0.278 32.284 32.500 0.103 0.000 0.713 159 K HN 0.399 nan 8.250 nan 0.000 0.439 160 A N 0.146 123.012 122.820 0.076 0.000 2.168 160 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 160 A C 1.904 179.508 177.584 0.032 0.000 1.152 160 A CA 1.400 53.473 52.037 0.060 0.000 0.716 160 A CB -0.311 18.719 19.000 0.049 0.000 0.794 160 A HN 0.392 nan 8.150 nan 0.000 0.465 161 A N -0.608 122.226 122.820 0.024 0.000 2.238 161 A HA 0.392 4.712 4.320 -0.000 0.000 0.210 161 A C 0.753 178.298 177.584 -0.065 0.000 1.179 161 A CA -0.225 51.801 52.037 -0.017 0.000 0.827 161 A CB -0.223 18.774 19.000 -0.005 0.000 0.856 161 A HN 0.411 nan 8.150 nan 0.000 0.488 162 I N 0.791 121.342 120.570 -0.032 0.000 2.517 162 I HA 0.073 4.243 4.170 -0.000 0.000 0.285 162 I C 1.291 177.290 176.117 -0.197 0.000 1.106 162 I CA -0.328 60.918 61.300 -0.091 0.000 1.402 162 I CB 0.746 38.754 38.000 0.013 0.000 1.399 162 I HN 0.227 nan 8.210 nan 0.000 0.535 163 R N 5.633 125.938 120.500 -0.326 0.000 2.191 163 R HA 0.456 4.796 4.340 -0.000 0.000 0.196 163 R C -0.103 175.937 176.300 -0.433 0.000 0.991 163 R CA 0.503 56.304 56.100 -0.499 0.000 1.075 163 R CB 0.336 30.119 30.300 -0.861 0.000 1.040 163 R HN 0.482 nan 8.270 nan 0.000 0.526 164 L N 0.033 121.024 121.223 -0.387 0.000 2.469 164 L HA 0.508 4.847 4.340 -0.000 0.000 0.256 164 L C -0.724 175.950 176.870 -0.327 0.000 1.006 164 L CA -0.937 53.713 54.840 -0.316 0.000 0.832 164 L CB 2.839 44.738 42.059 -0.267 0.000 1.421 164 L HN -0.321 nan 8.230 nan 0.000 0.410 168 V N 0.801 120.573 119.914 -0.237 0.000 3.049 168 V HA 0.633 4.752 4.120 -0.000 0.000 0.309 168 V C -1.689 174.205 176.094 -0.334 0.000 1.148 168 V CA -0.353 61.649 62.300 -0.497 0.000 0.990 168 V CB 2.415 33.790 31.823 -0.747 0.000 1.039 168 V HN 0.823 nan 8.190 nan 0.000 0.430 169 N N 3.299 121.759 118.700 -0.400 0.000 2.558 169 N HA 0.302 5.042 4.740 -0.000 0.000 0.242 169 N C -0.993 174.382 175.510 -0.225 0.000 0.979 169 N CA -0.278 52.636 53.050 -0.227 0.000 0.931 169 N CB 1.287 39.674 38.487 -0.167 0.000 1.122 169 N HN 0.748 nan 8.380 nan 0.000 0.508 170 D N 3.735 124.071 120.400 -0.107 0.000 2.508 170 D HA 0.073 4.713 4.640 -0.000 0.000 0.224 170 D C -0.278 176.020 176.300 -0.003 0.000 1.171 170 D CA -0.277 53.725 54.000 0.003 0.000 1.006 170 D CB 0.028 40.921 40.800 0.155 0.000 1.073 170 D HN 0.176 nan 8.370 nan 0.000 0.513 171 V N 2.846 122.744 119.914 -0.027 0.000 2.617 171 V HA 0.089 4.209 4.120 -0.000 0.000 0.304 171 V C 0.637 176.715 176.094 -0.027 0.000 1.040 171 V CA 0.344 62.630 62.300 -0.022 0.000 1.149 171 V CB 0.686 32.500 31.823 -0.015 0.000 0.914 171 V HN 0.492 nan 8.190 nan 0.000 0.487 172 S N 5.287 120.956 115.700 -0.051 0.000 2.548 172 S HA 0.709 5.179 4.470 -0.000 0.000 0.286 172 S C -0.647 173.887 174.600 -0.110 0.000 1.098 172 S CA -0.740 57.403 58.200 -0.095 0.000 0.930 172 S CB 1.782 64.914 63.200 -0.114 0.000 1.070 172 S HN 0.519 nan 8.310 nan 0.000 0.480 173 L N 3.318 124.464 121.223 -0.128 0.000 2.335 173 L HA 0.424 4.764 4.340 -0.000 0.000 0.268 173 L C 1.254 178.004 176.870 -0.199 0.000 1.037 173 L CA -0.651 54.102 54.840 -0.145 0.000 0.895 173 L CB 0.543 42.519 42.059 -0.138 0.000 1.266 173 L HN 0.549 nan 8.230 nan 0.000 0.439 174 R N 1.770 122.058 120.500 -0.354 0.000 2.189 174 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 174 R C 1.949 178.120 176.300 -0.214 0.000 1.092 174 R CA 1.053 56.953 56.100 -0.332 0.000 0.989 174 R CB -0.392 29.533 30.300 -0.624 0.000 0.876 174 R HN 0.750 nan 8.270 nan 0.000 0.457 175 G N 0.927 109.604 108.800 -0.205 0.000 2.470 175 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.220 175 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.220 175 G C 1.410 176.280 174.900 -0.051 0.000 1.121 175 G CA 0.259 45.326 45.100 -0.055 0.000 0.766 175 G HN 0.229 nan 8.290 nan 0.000 0.553 176 L N -0.444 120.712 121.223 -0.111 0.000 2.556 176 L HA 0.341 4.680 4.340 -0.000 0.000 0.226 176 L C 2.447 179.276 176.870 -0.069 0.000 1.089 176 L CA -0.187 54.574 54.840 -0.130 0.000 0.864 176 L CB -0.012 41.894 42.059 -0.257 0.000 1.067 176 L HN 0.126 nan 8.230 nan 0.000 0.477 177 I N 1.266 121.817 120.570 -0.033 0.000 2.113 177 I HA -0.192 3.978 4.170 -0.000 0.000 0.238 177 I C -0.244 175.873 176.117 0.000 0.000 1.070 177 I CA 1.681 63.002 61.300 0.036 0.000 1.332 177 I CB -1.226 36.841 38.000 0.111 0.000 1.044 177 I HN 0.174 nan 8.210 nan 0.000 0.402 178 P HA -0.162 nan 4.420 nan 0.000 0.216 178 P C 1.550 178.831 177.300 -0.031 0.000 1.153 178 P CA 1.867 64.960 63.100 -0.012 0.000 0.858 178 P CB -0.279 31.422 31.700 0.001 0.000 0.789 179 G N -0.341 108.440 108.800 -0.032 0.000 2.418 179 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 179 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 179 G C 1.631 176.499 174.900 -0.054 0.000 1.158 179 G CA 0.736 45.813 45.100 -0.039 0.000 0.771 179 G HN 0.305 nan 8.290 nan 0.000 0.545 180 E N -0.135 120.030 120.200 -0.059 0.000 2.072 180 E HA 0.024 4.374 4.350 -0.000 0.000 0.190 180 E C 2.518 179.060 176.600 -0.097 0.000 0.982 180 E CA 0.297 56.658 56.400 -0.065 0.000 0.803 180 E CB -0.166 29.510 29.700 -0.040 0.000 0.755 180 E HN 0.415 nan 8.360 nan 0.000 0.453 181 L N 0.327 121.466 121.223 -0.140 0.000 2.201 181 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 181 L C 2.533 179.339 176.870 -0.107 0.000 1.105 181 L CA 0.768 55.490 54.840 -0.197 0.000 0.775 181 L CB -0.377 41.528 42.059 -0.256 0.000 0.913 181 L HN 0.212 nan 8.230 nan 0.000 0.440 182 A N 0.200 122.976 122.820 -0.074 0.000 2.070 182 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 182 A C 2.259 179.817 177.584 -0.044 0.000 1.159 182 A CA 1.348 53.356 52.037 -0.049 0.000 0.656 182 A CB -0.265 18.711 19.000 -0.040 0.000 0.800 182 A HN 0.334 nan 8.150 nan 0.000 0.453 183 K N -1.643 118.723 120.400 -0.056 0.000 2.148 183 K HA 0.068 4.388 4.320 -0.000 0.000 0.204 183 K C 1.250 177.840 176.600 -0.016 0.000 1.050 183 K CA 0.780 57.025 56.287 -0.069 0.000 0.942 183 K CB -0.195 32.239 32.500 -0.110 0.000 0.724 183 K HN 0.723 nan 8.250 nan 0.000 0.446 184 G N -0.129 108.694 108.800 0.039 0.000 2.144 184 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 184 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 184 G C 0.353 175.446 174.900 0.322 0.000 0.988 184 G CA -0.363 44.814 45.100 0.129 0.000 0.659 184 G HN 0.352 nan 8.290 nan 0.000 0.522 185 F N 1.447 121.345 119.950 -0.087 0.000 2.735 185 F HA 0.430 4.957 4.527 -0.000 0.000 0.304 185 F C 1.689 177.446 175.800 -0.072 0.000 1.119 185 F CA 0.277 58.239 58.000 -0.063 0.000 1.280 185 F CB 0.739 39.710 39.000 -0.049 0.000 0.994 185 F HN 0.691 nan 8.300 nan 0.000 0.520 186 G N 0.867 109.646 108.800 -0.035 0.000 2.598 186 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.244 186 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.244 186 G C -0.614 174.136 174.900 -0.249 0.000 1.302 186 G CA -0.798 44.169 45.100 -0.221 0.000 0.903 186 G HN 0.044 nan 8.290 nan 0.000 0.575 187 F N -0.016 119.926 119.950 -0.013 0.000 2.394 187 F HA 0.704 5.231 4.527 -0.000 0.000 0.340 187 F C 0.865 176.734 175.800 0.115 0.000 1.105 187 F CA 0.375 58.342 58.000 -0.054 0.000 1.124 187 F CB 1.502 40.314 39.000 -0.312 0.000 1.145 187 F HN 0.635 nan 8.300 nan 0.000 0.505 188 Y N 0.527 120.921 120.300 0.157 0.000 3.309 188 Y HA 0.023 4.573 4.550 -0.000 0.000 0.164 188 Y C 1.883 177.815 175.900 0.052 0.000 0.908 188 Y CA 0.196 58.365 58.100 0.115 0.000 1.843 188 Y CB -0.007 38.506 38.460 0.088 0.000 1.407 188 Y HN 0.481 nan 8.280 nan 0.000 0.308 189 Q N 0.305 120.242 119.800 0.230 0.000 2.170 189 Q HA -0.131 4.209 4.340 -0.000 0.000 0.203 189 Q C 1.875 177.821 176.000 -0.090 0.000 0.976 189 Q CA 1.921 57.741 55.803 0.028 0.000 0.858 189 Q CB -0.182 28.539 28.738 -0.028 0.000 0.907 189 Q HN 0.518 nan 8.270 nan 0.000 0.433 190 S N -0.297 115.386 115.700 -0.027 0.000 2.561 190 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 190 S C 0.683 175.243 174.600 -0.066 0.000 0.977 190 S CA 0.240 58.408 58.200 -0.054 0.000 0.926 190 S CB 0.315 63.543 63.200 0.046 0.000 0.769 190 S HN 0.003 nan 8.310 nan 0.000 0.533 191 K N 2.783 123.149 120.400 -0.057 0.000 2.562 191 K HA 0.436 4.756 4.320 -0.000 0.000 0.206 191 K C -2.883 173.691 176.600 -0.043 0.000 1.033 191 K CA -1.894 54.351 56.287 -0.070 0.000 1.029 191 K CB 1.289 33.738 32.500 -0.086 0.000 1.393 191 K HN 0.266 nan 8.250 nan 0.000 0.539 192 P HA 0.121 nan 4.420 nan 0.000 0.293 192 P C -0.197 177.110 177.300 0.011 0.000 1.298 192 P CA -0.472 62.602 63.100 -0.043 0.000 0.757 192 P CB 0.457 32.139 31.700 -0.030 0.000 1.262 193 S N -0.265 115.437 115.700 0.004 0.000 2.525 193 S HA 0.153 4.623 4.470 -0.000 0.000 0.285 193 S C 0.461 175.111 174.600 0.084 0.000 1.283 193 S CA -0.036 58.197 58.200 0.055 0.000 1.072 193 S CB -0.623 62.590 63.200 0.021 0.000 0.867 193 S HN 0.295 nan 8.310 nan 0.000 0.492 194 S N 2.020 117.809 115.700 0.149 0.000 2.655 194 S HA 0.699 5.169 4.470 -0.000 0.000 0.265 194 S C 0.256 174.740 174.600 -0.192 0.000 1.240 194 S CA -0.733 57.409 58.200 -0.096 0.000 0.986 194 S CB 0.942 63.929 63.200 -0.355 0.000 0.985 194 S HN 0.910 nan 8.310 nan 0.000 0.562 195 A N 0.631 123.181 122.820 -0.451 0.000 2.435 195 A HA 0.823 5.143 4.320 -0.000 0.000 0.304 195 A C -1.307 175.863 177.584 -0.689 0.000 1.064 195 A CA -0.610 51.209 52.037 -0.363 0.000 0.727 195 A CB 0.613 19.516 19.000 -0.162 0.000 1.284 195 A HN 0.557 nan 8.150 nan 0.000 0.415 196 F N 0.489 120.253 119.950 -0.310 0.000 2.594 196 F HA 0.582 5.109 4.527 -0.000 0.000 0.335 196 F C 1.243 176.945 175.800 -0.164 0.000 1.058 196 F CA -0.222 57.594 58.000 -0.306 0.000 0.981 196 F CB 1.799 40.550 39.000 -0.415 0.000 1.289 196 F HN 0.640 nan 8.300 nan 0.000 0.490 197 S N 0.607 116.342 115.700 0.058 0.000 2.579 197 S HA 0.175 4.645 4.470 -0.000 0.000 0.275 197 S C -2.154 172.516 174.600 0.118 0.000 1.345 197 S CA -0.903 57.337 58.200 0.067 0.000 1.031 197 S CB 0.866 64.105 63.200 0.066 0.000 0.892 197 S HN 0.353 nan 8.310 nan 0.000 0.529 198 P HA 0.006 nan 4.420 nan 0.000 0.217 198 P C -0.064 177.380 177.300 0.240 0.000 1.148 198 P CA 0.776 64.004 63.100 0.213 0.000 0.828 198 P CB 0.059 31.922 31.700 0.271 0.000 0.783 199 V N -1.283 118.747 119.914 0.194 0.000 2.823 199 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 199 V C -0.205 175.977 176.094 0.147 0.000 1.072 199 V CA -1.140 61.228 62.300 0.115 0.000 0.937 199 V CB 1.977 33.818 31.823 0.029 0.000 1.013 199 V HN -0.064 nan 8.190 nan 0.000 0.430 200 A N 2.996 125.856 122.820 0.068 0.000 2.337 200 A HA 0.934 5.254 4.320 -0.000 0.000 0.329 200 A C -0.629 176.973 177.584 0.030 0.000 1.146 200 A CA -0.508 51.572 52.037 0.071 0.000 0.800 200 A CB 1.744 20.721 19.000 -0.038 0.000 1.220 200 A HN 1.503 nan 8.150 nan 0.000 0.472 201 V N -0.102 119.832 119.914 0.034 0.000 2.914 201 V HA 0.890 5.010 4.120 -0.000 0.000 0.314 201 V C 0.108 176.131 176.094 -0.118 0.000 1.084 201 V CA -0.096 62.161 62.300 -0.072 0.000 0.963 201 V CB 1.328 33.039 31.823 -0.186 0.000 1.025 201 V HN 1.246 nan 8.190 nan 0.000 0.432 202 T N 0.698 115.186 114.554 -0.110 0.000 2.904 202 T HA 0.460 4.810 4.350 -0.000 0.000 0.290 202 T C -1.742 172.816 174.700 -0.236 0.000 1.018 202 T CA -1.265 60.755 62.100 -0.133 0.000 1.075 202 T CB 1.010 69.883 68.868 0.008 0.000 0.986 202 T HN 0.595 nan 8.240 nan 0.000 0.523 203 P HA -0.148 nan 4.420 nan 0.000 0.217 203 P C 1.439 178.619 177.300 -0.201 0.000 1.151 203 P CA 1.183 63.966 63.100 -0.528 0.000 0.849 203 P CB 0.082 31.493 31.700 -0.482 0.000 0.787 204 E N -0.238 119.906 120.200 -0.094 0.000 2.118 204 E HA -0.270 4.079 4.350 -0.000 0.000 0.195 204 E C 1.962 178.497 176.600 -0.108 0.000 0.992 204 E CA 1.089 57.457 56.400 -0.052 0.000 0.804 204 E CB -0.233 29.441 29.700 -0.044 0.000 0.741 204 E HN 0.051 nan 8.360 nan 0.000 0.458 205 E N 0.460 120.565 120.200 -0.159 0.000 2.204 205 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 205 E C 1.815 178.337 176.600 -0.130 0.000 0.990 205 E CA 0.893 57.186 56.400 -0.179 0.000 0.821 205 E CB -0.165 29.416 29.700 -0.197 0.000 0.750 205 E HN 0.380 nan 8.360 nan 0.000 0.477 206 L N -0.921 120.245 121.223 -0.095 0.000 2.395 206 L HA 0.152 4.492 4.340 -0.000 0.000 0.218 206 L C 1.725 178.641 176.870 0.076 0.000 1.130 206 L CA 0.236 55.071 54.840 -0.008 0.000 0.826 206 L CB -0.850 41.244 42.059 0.058 0.000 0.941 206 L HN 0.376 nan 8.230 nan 0.000 0.451 207 G N 0.624 109.466 108.800 0.070 0.000 2.622 207 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.307 207 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.307 207 G C 0.811 175.801 174.900 0.150 0.000 1.226 207 G CA 0.493 45.649 45.100 0.092 0.000 0.997 207 G HN 0.255 nan 8.290 nan 0.000 0.551 208 E N 0.928 121.199 120.200 0.117 0.000 2.338 208 E HA 0.110 4.460 4.350 -0.000 0.000 0.197 208 E C 2.780 179.473 176.600 0.156 0.000 1.007 208 E CA 1.381 57.849 56.400 0.113 0.000 0.849 208 E CB -0.625 29.115 29.700 0.066 0.000 0.774 208 E HN 0.849 nan 8.360 nan 0.000 0.506 209 A N 0.264 123.201 122.820 0.195 0.000 2.172 209 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 209 A C 0.773 178.608 177.584 0.419 0.000 1.154 209 A CA 0.172 52.371 52.037 0.270 0.000 0.701 209 A CB -0.366 18.768 19.000 0.224 0.000 0.789 209 A HN 0.318 nan 8.150 nan 0.000 0.465 210 W N 1.542 122.950 121.300 0.181 0.000 2.411 210 W HA 0.377 5.036 4.660 -0.000 0.000 0.317 210 W C -0.851 175.785 176.519 0.195 0.000 1.030 210 W CA -0.415 57.044 57.345 0.191 0.000 1.239 210 W CB 1.385 30.919 29.460 0.124 0.000 1.304 210 W HN 0.386 nan 8.180 nan 0.000 0.437 211 D N 2.965 123.234 120.400 -0.219 0.000 2.328 211 D HA 0.175 4.815 4.640 -0.000 0.000 0.221 211 D C 1.463 177.554 176.300 -0.349 0.000 1.072 211 D CA 0.644 54.544 54.000 -0.167 0.000 0.850 211 D CB 0.207 41.020 40.800 0.022 0.000 0.922 211 D HN 0.727 nan 8.370 nan 0.000 0.516 212 G N -0.997 107.279 108.800 -0.873 0.000 2.284 212 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 212 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 212 G C 1.063 175.661 174.900 -0.503 0.000 1.009 212 G CA 0.129 44.996 45.100 -0.389 0.000 0.625 212 G HN 0.805 nan 8.290 nan 0.000 0.501 213 G N -0.123 108.191 108.800 -0.811 0.000 2.599 213 G HA2 0.520 4.480 3.960 -0.000 0.000 0.196 213 G HA3 0.520 4.480 3.960 -0.000 0.000 0.196 213 G C 0.337 174.921 174.900 -0.525 0.000 1.148 213 G CA 0.870 45.696 45.100 -0.457 0.000 0.809 213 G HN 0.807 nan 8.290 nan 0.000 0.764 214 K N 0.021 119.984 120.400 -0.728 0.000 2.482 214 K HA 0.681 5.001 4.320 -0.000 0.000 0.257 214 K C -1.462 174.938 176.600 -0.333 0.000 0.969 214 K CA -0.953 55.081 56.287 -0.421 0.000 0.842 214 K CB 2.350 34.631 32.500 -0.365 0.000 1.359 214 K HN -0.055 nan 8.250 nan 0.000 0.441 215 L N 2.550 123.831 121.223 0.098 0.000 2.305 215 L HA 0.217 4.557 4.340 -0.000 0.000 0.281 215 L C 0.201 177.045 176.870 -0.044 0.000 1.085 215 L CA -0.459 54.528 54.840 0.245 0.000 0.813 215 L CB 0.454 42.769 42.059 0.425 0.000 1.157 215 L HN 0.610 nan 8.230 nan 0.000 0.436 216 H N 5.986 125.177 119.070 0.203 0.000 2.533 216 H HA 0.415 4.970 4.556 -0.000 0.000 0.281 216 H C -0.608 174.805 175.328 0.141 0.000 1.238 216 H CA 0.006 56.139 56.048 0.141 0.000 1.024 216 H CB 0.194 30.012 29.762 0.093 0.000 1.604 216 H HN 0.379 nan 8.280 nan 0.000 0.531 217 L N 0.375 121.731 121.223 0.221 0.000 2.359 217 L HA 0.427 4.767 4.340 -0.000 0.000 0.256 217 L C -2.484 174.493 176.870 0.179 0.000 1.026 217 L CA -2.376 52.581 54.840 0.195 0.000 0.828 217 L CB 2.509 44.686 42.059 0.197 0.000 1.406 217 L HN -0.018 nan 8.230 nan 0.000 0.413 218 P HA 0.084 nan 4.420 nan 0.000 0.267 218 P C -0.900 176.552 177.300 0.252 0.000 1.205 218 P CA -0.186 63.017 63.100 0.172 0.000 0.765 218 P CB 0.540 32.339 31.700 0.163 0.000 0.828 219 L N 5.661 126.989 121.223 0.174 0.000 2.283 219 L HA 0.225 4.565 4.340 -0.000 0.000 0.287 219 L C -0.260 176.747 176.870 0.228 0.000 1.073 219 L CA -0.246 54.707 54.840 0.188 0.000 0.822 219 L CB -0.569 41.542 42.059 0.086 0.000 1.186 219 L HN 0.337 nan 8.230 nan 0.000 0.436 220 H N 3.948 123.056 119.070 0.064 0.000 2.878 220 H HA 0.418 4.974 4.556 -0.000 0.000 0.290 220 H C -0.608 174.761 175.328 0.068 0.000 1.065 220 H CA -0.274 55.812 56.048 0.062 0.000 1.477 220 H CB 0.684 30.486 29.762 0.066 0.000 1.484 220 H HN 0.367 nan 8.280 nan 0.000 0.504 221 V N 4.893 124.900 119.914 0.153 0.000 2.444 221 V HA 0.234 4.354 4.120 -0.000 0.000 0.294 221 V C -0.313 175.887 176.094 0.177 0.000 1.022 221 V CA -0.840 61.555 62.300 0.158 0.000 0.850 221 V CB 1.733 33.668 31.823 0.187 0.000 0.992 221 V HN 0.704 nan 8.190 nan 0.000 0.426 222 D N 3.722 124.202 120.400 0.133 0.000 2.350 222 D HA 0.624 5.264 4.640 -0.000 0.000 0.245 222 D C -0.852 175.483 176.300 0.059 0.000 1.036 222 D CA -0.336 53.737 54.000 0.122 0.000 0.848 222 D CB 2.730 43.589 40.800 0.099 0.000 1.307 222 D HN 0.399 nan 8.370 nan 0.000 0.469 223 L N 2.468 123.723 121.223 0.054 0.000 2.325 223 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 223 L C -0.219 176.659 176.870 0.012 0.000 1.004 223 L CA -0.358 54.457 54.840 -0.042 0.000 0.823 223 L CB 0.751 42.687 42.059 -0.206 0.000 1.236 223 L HN 0.283 nan 8.230 nan 0.000 0.415 224 N N 4.343 123.045 118.700 0.004 0.000 2.710 224 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 224 N C 0.990 176.521 175.510 0.034 0.000 1.059 224 N CA 1.403 54.465 53.050 0.020 0.000 0.720 224 N CB -1.169 37.328 38.487 0.018 0.000 0.983 224 N HN 1.295 nan 8.380 nan 0.000 0.544 225 G N -1.564 107.260 108.800 0.041 0.000 2.179 225 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.260 225 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.260 225 G C -0.315 174.620 174.900 0.058 0.000 0.977 225 G CA 0.627 45.755 45.100 0.048 0.000 0.641 225 G HN 0.471 nan 8.290 nan 0.000 0.533 226 E N 0.784 121.026 120.200 0.071 0.000 2.183 226 E HA 0.456 4.806 4.350 -0.000 0.000 0.271 226 E C -2.658 174.008 176.600 0.109 0.000 0.919 226 E CA -2.320 54.129 56.400 0.081 0.000 0.781 226 E CB 1.597 31.348 29.700 0.085 0.000 1.140 226 E HN 0.068 nan 8.360 nan 0.000 0.402 227 P HA -0.036 nan 4.420 nan 0.000 0.264 227 P C -0.323 177.059 177.300 0.137 0.000 1.183 227 P CA 0.446 63.589 63.100 0.072 0.000 0.763 227 P CB 0.231 31.930 31.700 -0.002 0.000 0.807 228 F N 2.442 122.388 119.950 -0.007 0.000 2.658 228 F HA 0.445 4.972 4.527 -0.000 0.000 0.293 228 F C 0.607 176.401 175.800 -0.011 0.000 0.986 228 F CA 0.502 58.517 58.000 0.024 0.000 1.182 228 F CB 0.506 39.541 39.000 0.059 0.000 0.965 228 F HN 0.347 nan 8.300 nan 0.000 0.659 229 G N 0.593 109.442 108.800 0.082 0.000 2.638 229 G HA2 0.526 4.485 3.960 -0.000 0.000 0.302 229 G HA3 0.526 4.485 3.960 -0.000 0.000 0.302 229 G C -0.793 174.051 174.900 -0.093 0.000 1.365 229 G CA -0.553 44.509 45.100 -0.064 0.000 0.987 229 G HN -0.022 nan 8.290 nan 0.000 0.495 230 R N 0.703 121.110 120.500 -0.155 0.000 2.599 230 R HA 0.326 4.665 4.340 -0.000 0.000 0.451 230 R C 0.561 176.801 176.300 -0.100 0.000 0.988 230 R CA -0.450 55.552 56.100 -0.164 0.000 1.085 230 R CB 0.843 31.010 30.300 -0.223 0.000 1.452 230 R HN 0.692 nan 8.270 nan 0.000 0.596 231 A N 1.533 124.298 122.820 -0.092 0.000 2.498 231 A HA 0.123 4.443 4.320 -0.000 0.000 0.239 231 A C 0.396 177.967 177.584 -0.021 0.000 1.068 231 A CA -0.056 51.935 52.037 -0.077 0.000 0.766 231 A CB 0.201 19.137 19.000 -0.107 0.000 1.003 231 A HN 0.229 nan 8.150 nan 0.000 0.497 232 N N 1.776 120.484 118.700 0.014 0.000 2.458 232 N HA 0.279 5.019 4.740 -0.000 0.000 0.270 232 N C 0.957 176.528 175.510 0.101 0.000 1.102 232 N CA 0.504 53.597 53.050 0.072 0.000 0.967 232 N CB 1.448 39.989 38.487 0.089 0.000 1.078 232 N HN 0.617 nan 8.380 nan 0.000 0.471 233 A N 2.840 125.735 122.820 0.125 0.000 2.121 233 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 233 A C 1.539 179.257 177.584 0.223 0.000 1.154 233 A CA 1.337 53.491 52.037 0.195 0.000 0.679 233 A CB -0.216 18.907 19.000 0.204 0.000 0.795 233 A HN 0.698 nan 8.150 nan 0.000 0.458 234 G N -0.983 107.871 108.800 0.090 0.000 3.233 234 G HA2 0.426 4.386 3.960 -0.000 0.000 0.234 234 G HA3 0.426 4.386 3.960 -0.000 0.000 0.234 234 G C 0.235 175.197 174.900 0.102 0.000 1.137 234 G CA -0.159 44.907 45.100 -0.057 0.000 0.763 234 G HN 0.370 nan 8.290 nan 0.000 0.549 235 I N 1.048 121.717 120.570 0.166 0.000 2.441 235 I HA 0.302 4.472 4.170 -0.000 0.000 0.295 235 I C -0.478 175.757 176.117 0.196 0.000 0.994 235 I CA -0.717 60.669 61.300 0.144 0.000 1.144 235 I CB 1.518 39.587 38.000 0.115 0.000 1.314 235 I HN 0.013 nan 8.210 nan 0.000 0.445 239 F N 3.913 123.745 119.950 -0.195 0.000 2.493 239 F HA 0.602 5.129 4.527 -0.000 0.000 0.329 239 F C 0.032 175.663 175.800 -0.281 0.000 1.126 239 F CA -1.771 56.116 58.000 -0.188 0.000 0.937 239 F CB 1.047 39.947 39.000 -0.166 0.000 1.146 239 F HN 0.091 nan 8.300 nan 0.000 0.442 240 D N 1.152 121.520 120.400 -0.053 0.000 2.411 240 D HA 0.131 4.771 4.640 -0.000 0.000 0.251 240 D C 0.886 177.135 176.300 -0.085 0.000 1.201 240 D CA -0.341 53.571 54.000 -0.147 0.000 0.996 240 D CB 0.460 41.200 40.800 -0.100 0.000 1.101 240 D HN 0.303 nan 8.370 nan 0.000 0.504 241 F N -0.336 119.636 119.950 0.037 0.000 2.095 241 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 241 F C -0.641 175.211 175.800 0.086 0.000 1.104 241 F CA 1.008 59.070 58.000 0.102 0.000 1.232 241 F CB -1.804 37.327 39.000 0.218 0.000 0.987 241 F HN 0.344 nan 8.300 nan 0.000 0.475 242 P HA -0.208 nan 4.420 nan 0.000 0.216 242 P C 1.371 178.737 177.300 0.111 0.000 1.153 242 P CA 1.850 65.044 63.100 0.156 0.000 0.858 242 P CB -0.138 31.631 31.700 0.115 0.000 0.789 243 Q N -0.958 118.898 119.800 0.094 0.000 2.084 243 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 243 Q C 2.199 178.217 176.000 0.030 0.000 0.978 243 Q CA 1.141 56.988 55.803 0.073 0.000 0.844 243 Q CB -0.643 28.172 28.738 0.129 0.000 0.898 243 Q HN 0.286 nan 8.270 nan 0.000 0.426 244 L N 0.109 121.349 121.223 0.028 0.000 2.046 244 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 244 L C 2.292 179.207 176.870 0.076 0.000 1.077 244 L CA 0.972 55.816 54.840 0.007 0.000 0.747 244 L CB -0.408 41.662 42.059 0.019 0.000 0.896 244 L HN 0.248 nan 8.230 nan 0.000 0.432 245 I N -0.872 119.765 120.570 0.111 0.000 2.179 245 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 245 I C 2.463 178.616 176.117 0.060 0.000 1.088 245 I CA 1.022 62.379 61.300 0.095 0.000 1.357 245 I CB -0.254 37.812 38.000 0.110 0.000 1.051 245 I HN -0.011 nan 8.210 nan 0.000 0.409 246 V N 0.354 120.303 119.914 0.059 0.000 2.343 246 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 246 V C 2.481 178.585 176.094 0.017 0.000 1.051 246 V CA 2.389 64.710 62.300 0.034 0.000 1.036 246 V CB -0.900 30.946 31.823 0.039 0.000 0.654 246 V HN 0.504 nan 8.190 nan 0.000 0.451 247 H N 0.637 119.668 119.070 -0.066 0.000 2.321 247 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 247 H C 2.135 177.416 175.328 -0.078 0.000 1.087 247 H CA 1.959 57.947 56.048 -0.101 0.000 1.319 247 H CB -0.199 29.458 29.762 -0.175 0.000 1.379 247 H HN 0.360 nan 8.280 nan 0.000 0.501 248 A N 0.244 123.060 122.820 -0.006 0.000 2.015 248 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 248 A C 2.272 179.809 177.584 -0.080 0.000 1.163 248 A CA 1.314 53.323 52.037 -0.046 0.000 0.646 248 A CB -0.803 18.205 19.000 0.014 0.000 0.806 248 A HN 0.581 nan 8.150 nan 0.000 0.448 249 A N -0.920 121.863 122.820 -0.062 0.000 2.275 249 A HA 0.214 4.534 4.320 -0.000 0.000 0.212 249 A C 1.870 179.410 177.584 -0.074 0.000 1.201 249 A CA 0.573 52.579 52.037 -0.051 0.000 0.843 249 A CB -0.457 18.531 19.000 -0.020 0.000 0.873 249 A HN 0.526 nan 8.150 nan 0.000 0.492 250 R N 0.645 121.070 120.500 -0.125 0.000 2.096 250 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 250 R C 1.433 177.675 176.300 -0.097 0.000 1.139 250 R CA 2.222 58.246 56.100 -0.126 0.000 0.952 250 R CB -0.201 29.977 30.300 -0.203 0.000 0.854 250 R HN 0.511 nan 8.270 nan 0.000 0.436 251 T N -2.347 112.146 114.554 -0.102 0.000 3.200 251 T HA 0.257 4.607 4.350 -0.000 0.000 0.284 251 T C -0.069 174.596 174.700 -0.058 0.000 1.009 251 T CA -0.785 61.270 62.100 -0.075 0.000 0.907 251 T CB 0.016 68.835 68.868 -0.081 0.000 1.120 251 T HN 0.400 nan 8.240 nan 0.000 0.534 252 R N -0.447 120.021 120.500 -0.054 0.000 2.663 252 R HA 0.676 5.016 4.340 -0.000 0.000 0.267 252 R C -3.485 172.797 176.300 -0.030 0.000 1.038 252 R CA -1.846 54.231 56.100 -0.039 0.000 0.886 252 R CB 0.496 30.774 30.300 -0.036 0.000 1.249 252 R HN -0.105 nan 8.270 nan 0.000 0.463 253 P HA 0.246 nan 4.420 nan 0.000 0.276 253 P C -0.840 176.454 177.300 -0.009 0.000 1.244 253 P CA -0.536 62.555 63.100 -0.016 0.000 0.801 253 P CB 0.994 32.684 31.700 -0.017 0.000 1.006 254 L N 1.126 122.348 121.223 -0.002 0.000 2.325 254 L HA 0.358 4.698 4.340 -0.000 0.000 0.281 254 L C 0.886 177.762 176.870 0.010 0.000 1.004 254 L CA -0.654 54.192 54.840 0.011 0.000 0.823 254 L CB 1.688 43.758 42.059 0.019 0.000 1.236 254 L HN 0.403 nan 8.230 nan 0.000 0.415 255 S N 1.866 117.574 115.700 0.014 0.000 2.632 255 S HA 0.695 5.165 4.470 -0.000 0.000 0.271 255 S C 0.325 174.944 174.600 0.031 0.000 1.260 255 S CA -0.750 57.452 58.200 0.003 0.000 1.010 255 S CB 1.670 64.844 63.200 -0.043 0.000 0.965 255 S HN 0.703 nan 8.310 nan 0.000 0.534 256 A N 0.623 123.459 122.820 0.026 0.000 2.566 256 A HA 0.475 4.795 4.320 -0.000 0.000 0.245 256 A C 1.500 179.133 177.584 0.083 0.000 1.056 256 A CA 0.272 52.329 52.037 0.034 0.000 0.757 256 A CB -1.548 17.479 19.000 0.044 0.000 0.979 256 A HN 2.428 nan 8.150 nan 0.000 0.508 257 G N 1.996 110.820 108.800 0.040 0.000 2.176 257 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.232 257 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.232 257 G C 0.471 175.412 174.900 0.068 0.000 0.986 257 G CA 0.284 45.417 45.100 0.056 0.000 0.643 257 G HN 1.180 nan 8.290 nan 0.000 0.522 258 T N 1.566 116.167 114.554 0.078 0.000 2.902 258 T HA 0.444 4.794 4.350 -0.000 0.000 0.301 258 T C 0.769 175.514 174.700 0.075 0.000 1.012 258 T CA 0.542 62.702 62.100 0.099 0.000 1.151 258 T CB 0.625 69.541 68.868 0.081 0.000 0.946 258 T HN 0.339 nan 8.240 nan 0.000 0.542 259 I N 4.744 125.401 120.570 0.145 0.000 2.359 259 I HA 0.381 4.551 4.170 -0.000 0.000 0.294 259 I C -0.224 176.078 176.117 0.307 0.000 0.987 259 I CA -0.776 60.629 61.300 0.175 0.000 1.225 259 I CB 1.209 39.310 38.000 0.169 0.000 1.366 259 I HN 0.319 nan 8.210 nan 0.000 0.466 260 I N 5.100 125.819 120.570 0.249 0.000 2.389 260 I HA 0.423 4.593 4.170 -0.000 0.000 0.288 260 I C 0.516 176.875 176.117 0.403 0.000 0.999 260 I CA -0.252 61.195 61.300 0.245 0.000 1.129 260 I CB 1.334 39.466 38.000 0.219 0.000 1.288 260 I HN 0.602 nan 8.210 nan 0.000 0.444 261 G N 3.028 112.010 108.800 0.303 0.000 2.389 261 G HA2 0.411 4.370 3.960 -0.000 0.000 0.328 261 G HA3 0.411 4.370 3.960 -0.000 0.000 0.328 261 G C 0.769 175.853 174.900 0.307 0.000 1.133 261 G CA -0.174 45.190 45.100 0.441 0.000 0.891 261 G HN 0.658 nan 8.290 nan 0.000 0.485 262 S N 0.671 116.591 115.700 0.367 0.000 2.406 262 S HA 0.364 4.834 4.470 -0.000 0.000 0.228 262 S C 1.406 176.081 174.600 0.126 0.000 1.020 262 S CA 0.852 59.097 58.200 0.076 0.000 0.965 262 S CB -0.550 62.728 63.200 0.130 0.000 0.798 262 S HN 2.445 nan 8.310 nan 0.000 0.488 263 G N 0.004 108.901 108.800 0.160 0.000 2.663 263 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.686 263 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.686 263 G C -0.404 174.557 174.900 0.100 0.000 1.288 263 G CA -0.464 44.711 45.100 0.125 0.000 0.836 263 G HN 0.639 nan 8.290 nan 0.000 0.584 264 T N -0.146 114.384 114.554 -0.040 0.000 2.871 264 T HA 0.342 4.692 4.350 -0.000 0.000 0.296 264 T C 1.073 175.602 174.700 -0.284 0.000 0.998 264 T CA 0.402 62.406 62.100 -0.161 0.000 1.162 264 T CB -0.015 68.659 68.868 -0.323 0.000 0.947 264 T HN 1.349 nan 8.240 nan 0.000 0.536 265 V N 6.172 125.841 119.914 -0.408 0.000 2.446 265 V HA 0.359 4.479 4.120 -0.000 0.000 0.276 265 V C 0.579 176.363 176.094 -0.517 0.000 1.030 265 V CA -0.038 61.731 62.300 -0.885 0.000 1.033 265 V CB 0.890 32.401 31.823 -0.520 0.000 0.993 265 V HN 0.925 nan 8.190 nan 0.000 0.477 266 S N 5.288 120.669 115.700 -0.530 0.000 2.538 266 S HA 0.559 5.029 4.470 -0.000 0.000 0.288 266 S C -0.776 173.843 174.600 0.032 0.000 1.108 266 S CA -0.824 57.334 58.200 -0.070 0.000 0.971 266 S CB 1.218 64.501 63.200 0.138 0.000 1.041 266 S HN 0.847 nan 8.310 nan 0.000 0.483 267 N N 2.566 121.291 118.700 0.041 0.000 2.284 267 N HA 0.359 5.099 4.740 -0.000 0.000 0.300 267 N C -1.056 174.495 175.510 0.068 0.000 1.047 267 N CA -0.853 52.234 53.050 0.061 0.000 0.821 267 N CB 1.626 40.116 38.487 0.006 0.000 1.337 267 N HN 0.494 nan 8.380 nan 0.000 0.482 268 K N 0.972 121.422 120.400 0.084 0.000 2.138 268 K HA 0.371 4.691 4.320 -0.000 0.000 0.251 268 K C -0.902 175.718 176.600 0.033 0.000 1.015 268 K CA -0.448 55.881 56.287 0.071 0.000 0.917 268 K CB 0.693 33.240 32.500 0.078 0.000 1.021 268 K HN 0.182 nan 8.250 nan 0.000 0.485 269 L N 1.684 122.923 121.223 0.026 0.000 2.376 269 L HA 0.173 4.512 4.340 -0.000 0.000 0.275 269 L C -0.616 176.260 176.870 0.009 0.000 0.987 269 L CA 0.279 55.123 54.840 0.007 0.000 0.828 269 L CB 0.732 42.787 42.059 -0.007 0.000 1.249 269 L HN 0.792 nan 8.230 nan 0.000 0.409 270 E N 4.026 124.228 120.200 0.002 0.000 2.539 270 E HA -0.274 4.076 4.350 -0.000 0.000 0.253 270 E C 1.005 177.606 176.600 0.003 0.000 1.145 270 E CA 0.768 57.168 56.400 -0.000 0.000 0.738 270 E CB -1.394 28.305 29.700 -0.002 0.000 1.308 270 E HN 1.302 nan 8.360 nan 0.000 0.409 271 G N -1.684 107.121 108.800 0.008 0.000 2.184 271 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 271 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 271 G C 0.402 175.319 174.900 0.029 0.000 0.975 271 G CA 0.499 45.605 45.100 0.010 0.000 0.642 271 G HN 0.812 nan 8.290 nan 0.000 0.536 272 G N -0.791 108.028 108.800 0.032 0.000 3.175 272 G HA2 0.775 4.735 3.960 -0.000 0.000 0.255 272 G HA3 0.775 4.735 3.960 -0.000 0.000 0.255 272 G C -2.909 172.022 174.900 0.053 0.000 1.352 272 G CA -1.080 44.044 45.100 0.040 0.000 1.037 272 G HN 0.121 nan 8.290 nan 0.000 0.556 273 P HA 0.192 nan 4.420 nan 0.000 0.264 273 P C 0.638 177.991 177.300 0.087 0.000 1.183 273 P CA 0.190 63.336 63.100 0.077 0.000 0.763 273 P CB 0.605 32.340 31.700 0.059 0.000 0.807 274 G N 3.444 112.318 108.800 0.124 0.000 2.636 274 G HA2 0.240 4.199 3.960 -0.000 0.000 0.246 274 G HA3 0.240 4.199 3.960 -0.000 0.000 0.246 274 G C -0.307 174.641 174.900 0.080 0.000 1.216 274 G CA -0.539 44.594 45.100 0.056 0.000 0.854 274 G HN 0.408 nan 8.290 nan 0.000 0.572 275 R N 0.704 121.172 120.500 -0.053 0.000 2.732 275 R HA 0.362 4.702 4.340 -0.000 0.000 0.278 275 R C -2.510 173.676 176.300 -0.190 0.000 0.976 275 R CA -1.660 54.422 56.100 -0.029 0.000 0.963 275 R CB 1.680 31.962 30.300 -0.031 0.000 1.150 275 R HN 0.296 nan 8.270 nan 0.000 0.478 276 P HA -0.077 nan 4.420 nan 0.000 0.269 276 P C 0.777 177.949 177.300 -0.213 0.000 1.217 276 P CA -0.034 62.962 63.100 -0.174 0.000 0.783 276 P CB 0.532 32.221 31.700 -0.018 0.000 0.898 277 V N 1.454 121.216 119.914 -0.253 0.000 2.343 277 V HA -0.249 3.870 4.120 -0.000 0.000 0.247 277 V C 2.255 178.287 176.094 -0.103 0.000 1.051 277 V CA 2.695 64.888 62.300 -0.180 0.000 1.036 277 V CB -1.606 30.116 31.823 -0.170 0.000 0.654 277 V HN 0.718 nan 8.190 nan 0.000 0.451 278 S N 0.109 115.764 115.700 -0.075 0.000 2.469 278 S HA -0.174 4.296 4.470 -0.000 0.000 0.238 278 S C 1.444 176.022 174.600 -0.036 0.000 0.998 278 S CA 1.381 59.557 58.200 -0.039 0.000 0.957 278 S CB -0.410 62.780 63.200 -0.016 0.000 0.764 278 S HN 0.780 nan 8.310 nan 0.000 0.514 279 E N 0.505 120.677 120.200 -0.047 0.000 2.465 279 E HA 0.338 4.687 4.350 -0.000 0.000 0.195 279 E C 0.977 177.551 176.600 -0.044 0.000 1.028 279 E CA 0.117 56.495 56.400 -0.036 0.000 0.899 279 E CB 0.243 29.927 29.700 -0.028 0.000 1.032 279 E HN 0.670 nan 8.360 nan 0.000 0.468 280 G N 1.103 109.869 108.800 -0.057 0.000 2.157 280 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.239 280 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.239 280 G C 0.495 175.350 174.900 -0.075 0.000 0.982 280 G CA -0.222 44.844 45.100 -0.057 0.000 0.650 280 G HN 0.475 nan 8.290 nan 0.000 0.527 281 G N -1.190 107.546 108.800 -0.107 0.000 2.531 281 G HA2 0.722 4.681 3.960 -0.000 0.000 0.281 281 G HA3 0.722 4.681 3.960 -0.000 0.000 0.281 281 G C 1.080 175.870 174.900 -0.183 0.000 1.382 281 G CA 0.532 45.548 45.100 -0.140 0.000 1.045 281 G HN 1.249 nan 8.290 nan 0.000 0.533 282 A N -1.800 120.885 122.820 -0.225 0.000 2.267 282 A HA 0.556 4.876 4.320 -0.000 0.000 0.213 282 A C 1.630 178.975 177.584 -0.397 0.000 1.192 282 A CA 1.347 53.240 52.037 -0.241 0.000 0.851 282 A CB -0.896 18.004 19.000 -0.167 0.000 0.881 282 A HN 2.433 nan 8.150 nan 0.000 0.494 283 G N -1.008 107.393 108.800 -0.666 0.000 2.552 283 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.265 283 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.265 283 G C -0.277 173.829 174.900 -1.322 0.000 1.234 283 G CA 0.404 44.765 45.100 -1.232 0.000 0.944 283 G HN 0.904 nan 8.290 nan 0.000 0.568 284 Y N -1.610 118.533 120.300 -0.262 0.000 2.597 284 Y HA 0.651 5.201 4.550 -0.000 0.000 0.340 284 Y C 0.858 176.834 175.900 0.127 0.000 1.097 284 Y CA -0.294 57.760 58.100 -0.076 0.000 1.037 284 Y CB 2.045 40.467 38.460 -0.063 0.000 1.305 284 Y HN 0.415 nan 8.280 nan 0.000 0.463 285 S N 0.268 116.138 115.700 0.284 0.000 2.557 285 S HA 0.246 4.716 4.470 -0.000 0.000 0.223 285 S C -0.284 174.454 174.600 0.230 0.000 0.969 285 S CA -0.094 58.236 58.200 0.216 0.000 0.927 285 S CB -0.576 62.652 63.200 0.047 0.000 0.806 285 S HN 0.659 nan 8.310 nan 0.000 0.489 286 C N -1.446 118.070 119.300 0.360 0.000 3.239 286 C HA 0.592 5.052 4.460 -0.000 0.000 0.329 286 C C 1.197 176.406 174.990 0.365 0.000 1.252 286 C CA -1.164 58.013 59.018 0.265 0.000 1.323 286 C CB -0.229 27.613 27.740 0.169 0.000 1.663 286 C HN 0.295 nan 8.230 nan 0.000 0.487 287 I N 1.863 122.557 120.570 0.206 0.000 2.315 287 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 287 I C 2.802 178.982 176.117 0.103 0.000 1.117 287 I CA 1.980 63.374 61.300 0.156 0.000 1.404 287 I CB -0.495 37.497 38.000 -0.013 0.000 1.071 287 I HN 0.929 nan 8.210 nan 0.000 0.419 288 A N 0.597 123.585 122.820 0.279 0.000 1.917 288 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 288 A C 2.311 179.955 177.584 0.101 0.000 1.182 288 A CA 2.333 54.535 52.037 0.274 0.000 0.633 288 A CB -0.725 18.495 19.000 0.366 0.000 0.819 288 A HN 0.542 nan 8.150 nan 0.000 0.448 289 E N -0.733 119.551 120.200 0.140 0.000 2.077 289 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 289 E C 1.902 178.331 176.600 -0.285 0.000 0.989 289 E CA 1.273 57.675 56.400 0.004 0.000 0.800 289 E CB -0.222 29.596 29.700 0.198 0.000 0.746 289 E HN 0.462 nan 8.360 nan 0.000 0.452 290 L N 1.325 122.266 121.223 -0.470 0.000 2.042 290 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 290 L C 1.065 177.734 176.870 -0.335 0.000 1.076 290 L CA 1.527 55.949 54.840 -0.697 0.000 0.749 290 L CB -0.338 41.413 42.059 -0.514 0.000 0.893 290 L HN -0.022 nan 8.230 nan 0.000 0.432 294 E N 1.323 121.463 120.200 -0.100 0.000 2.110 294 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 294 E C 1.669 178.236 176.600 -0.056 0.000 0.988 294 E CA 2.142 58.497 56.400 -0.075 0.000 0.804 294 E CB -0.011 29.636 29.700 -0.089 0.000 0.745 294 E HN 0.454 nan 8.360 nan 0.000 0.458 295 T N 1.348 115.867 114.554 -0.058 0.000 2.674 295 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 295 T C 2.009 176.688 174.700 -0.034 0.000 1.039 295 T CA 0.961 63.035 62.100 -0.042 0.000 1.150 295 T CB -0.240 68.604 68.868 -0.040 0.000 0.864 295 T HN 0.095 nan 8.240 nan 0.000 0.427 296 I N 0.724 121.272 120.570 -0.036 0.000 2.208 296 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 296 I C 2.680 178.784 176.117 -0.021 0.000 1.097 296 I CA 1.488 62.772 61.300 -0.027 0.000 1.363 296 I CB -0.268 37.716 38.000 -0.026 0.000 1.051 296 I HN 0.248 nan 8.210 nan 0.000 0.413 297 E N 0.073 120.259 120.200 -0.023 0.000 2.076 297 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 297 E C 1.909 178.499 176.600 -0.016 0.000 0.979 297 E CA 1.208 57.598 56.400 -0.017 0.000 0.807 297 E CB -0.008 29.682 29.700 -0.016 0.000 0.761 297 E HN 0.457 nan 8.360 nan 0.000 0.454 298 G N -2.254 106.533 108.800 -0.021 0.000 3.274 298 G HA2 0.353 4.313 3.960 -0.000 0.000 0.250 298 G HA3 0.353 4.313 3.960 -0.000 0.000 0.250 298 G C 0.889 175.779 174.900 -0.018 0.000 1.024 298 G CA 0.208 45.297 45.100 -0.018 0.000 0.840 298 G HN 0.433 nan 8.290 nan 0.000 0.522 299 G N -0.987 107.801 108.800 -0.019 0.000 2.258 299 G HA2 0.254 4.214 3.960 -0.000 0.000 0.233 299 G HA3 0.254 4.214 3.960 -0.000 0.000 0.233 299 G C 0.342 175.231 174.900 -0.018 0.000 1.006 299 G CA 0.603 45.693 45.100 -0.017 0.000 0.620 299 G HN 1.754 nan 8.290 nan 0.000 0.511 300 A N -0.413 122.392 122.820 -0.024 0.000 2.612 300 A HA 0.823 5.143 4.320 -0.000 0.000 0.293 300 A C -3.150 174.410 177.584 -0.040 0.000 1.075 300 A CA -0.719 51.303 52.037 -0.026 0.000 0.680 300 A CB 1.138 20.127 19.000 -0.019 0.000 1.279 300 A HN 0.142 nan 8.150 nan 0.000 0.411 301 P HA 0.305 nan 4.420 nan 0.000 0.269 301 P C -0.076 177.179 177.300 -0.074 0.000 1.209 301 P CA 0.245 63.298 63.100 -0.078 0.000 0.776 301 P CB 0.641 32.288 31.700 -0.089 0.000 0.876 302 K N -0.493 119.853 120.400 -0.089 0.000 2.493 302 K HA 0.129 4.449 4.320 -0.000 0.000 0.201 302 K C 0.140 176.690 176.600 -0.085 0.000 1.355 302 K CA 0.327 56.572 56.287 -0.070 0.000 0.953 302 K CB 0.184 32.655 32.500 -0.049 0.000 1.316 302 K HN 0.354 nan 8.250 nan 0.000 0.522 303 T N 2.882 117.368 114.554 -0.114 0.000 2.814 303 T HA 0.131 4.481 4.350 -0.000 0.000 0.297 303 T C -0.104 174.472 174.700 -0.206 0.000 0.956 303 T CA -0.044 61.987 62.100 -0.115 0.000 1.123 303 T CB 1.094 69.919 68.868 -0.071 0.000 0.902 303 T HN 0.055 nan 8.240 nan 0.000 0.528 304 Q N 1.698 121.412 119.800 -0.144 0.000 2.421 304 Q HA 0.249 4.589 4.340 -0.000 0.000 0.255 304 Q C -0.163 175.719 176.000 -0.197 0.000 1.013 304 Q CA -0.179 55.538 55.803 -0.143 0.000 0.895 304 Q CB 0.459 29.167 28.738 -0.051 0.000 1.271 304 Q HN 0.514 nan 8.270 nan 0.000 0.460 305 F N 0.478 120.410 119.950 -0.030 0.000 2.408 305 F HA 0.045 4.572 4.527 -0.000 0.000 0.303 305 F C 0.460 176.222 175.800 -0.063 0.000 1.268 305 F CA -0.526 57.449 58.000 -0.041 0.000 1.218 305 F CB 0.146 39.132 39.000 -0.024 0.000 1.283 305 F HN 0.326 nan 8.300 nan 0.000 0.545 306 L N 2.346 123.673 121.223 0.173 0.000 2.525 306 L HA 0.051 4.390 4.340 -0.000 0.000 0.278 306 L C 0.033 176.899 176.870 -0.008 0.000 1.218 306 L CA 0.275 55.144 54.840 0.048 0.000 0.878 306 L CB -0.467 41.615 42.059 0.038 0.000 1.127 306 L HN 0.357 nan 8.230 nan 0.000 0.492 307 K N 2.670 123.049 120.400 -0.035 0.000 2.340 307 K HA 0.443 4.763 4.320 -0.000 0.000 0.244 307 K C -0.686 175.906 176.600 -0.012 0.000 0.973 307 K CA -0.950 55.264 56.287 -0.122 0.000 0.828 307 K CB 1.065 33.512 32.500 -0.089 0.000 1.226 307 K HN 0.055 nan 8.250 nan 0.000 0.437 308 F N 0.952 120.902 119.950 -0.000 0.000 2.604 308 F HA 0.099 4.626 4.527 -0.000 0.000 0.393 308 F C 1.688 177.487 175.800 -0.002 0.000 1.043 308 F CA 1.599 59.597 58.000 -0.003 0.000 1.227 308 F CB -0.867 38.125 39.000 -0.013 0.000 1.016 308 F HN 0.880 nan 8.300 nan 0.000 0.556 309 G N 1.748 110.665 108.800 0.195 0.000 2.259 309 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 309 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 309 G C 0.076 175.017 174.900 0.068 0.000 1.001 309 G CA -0.242 44.919 45.100 0.101 0.000 0.627 309 G HN 0.526 nan 8.290 nan 0.000 0.501 310 D N 0.387 120.828 120.400 0.068 0.000 2.382 310 D HA 0.492 5.132 4.640 -0.000 0.000 0.240 310 D C 0.337 176.655 176.300 0.031 0.000 1.146 310 D CA 0.439 54.460 54.000 0.035 0.000 0.897 310 D CB 1.780 42.590 40.800 0.018 0.000 1.197 310 D HN 0.263 nan 8.370 nan 0.000 0.432 311 V N 1.747 121.670 119.914 0.015 0.000 2.638 311 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 311 V C -0.057 176.037 176.094 0.001 0.000 1.052 311 V CA -0.798 61.511 62.300 0.015 0.000 0.885 311 V CB 2.238 34.073 31.823 0.019 0.000 0.999 311 V HN 0.221 nan 8.190 nan 0.000 0.424 312 V N 5.073 124.986 119.914 -0.001 0.000 2.604 312 V HA 0.654 4.774 4.120 -0.000 0.000 0.305 312 V C -0.187 175.912 176.094 0.008 0.000 1.043 312 V CA -0.681 61.611 62.300 -0.013 0.000 0.888 312 V CB 2.061 33.867 31.823 -0.029 0.000 0.995 312 V HN 0.882 nan 8.190 nan 0.000 0.429 313 R N 4.407 124.921 120.500 0.023 0.000 2.628 313 R HA 0.768 5.107 4.340 -0.000 0.000 0.288 313 R C -1.879 174.456 176.300 0.059 0.000 0.980 313 R CA -0.583 55.543 56.100 0.043 0.000 0.891 313 R CB 1.741 32.076 30.300 0.059 0.000 1.188 313 R HN 0.718 nan 8.270 nan 0.000 0.450 314 I N 4.281 124.883 120.570 0.054 0.000 2.512 314 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 314 I C -0.565 175.595 176.117 0.072 0.000 1.069 314 I CA -0.427 60.909 61.300 0.061 0.000 1.056 314 I CB 2.020 40.029 38.000 0.015 0.000 1.229 314 I HN 0.761 nan 8.210 nan 0.000 0.429 318 D N 0.443 120.840 120.400 -0.005 0.000 2.414 318 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 318 D C 0.748 177.057 176.300 0.016 0.000 1.252 318 D CA -0.337 53.675 54.000 0.021 0.000 0.999 318 D CB 0.605 41.418 40.800 0.022 0.000 1.093 318 D HN 0.426 nan 8.370 nan 0.000 0.515 319 R N -1.093 119.426 120.500 0.031 0.000 2.200 319 R HA -0.087 4.252 4.340 -0.000 0.000 0.234 319 R C 1.670 177.964 176.300 -0.012 0.000 1.127 319 R CA 1.609 57.723 56.100 0.023 0.000 0.989 319 R CB -0.808 29.512 30.300 0.033 0.000 0.869 319 R HN 0.764 nan 8.270 nan 0.000 0.459 320 T N -3.405 111.127 114.554 -0.035 0.000 3.100 320 T HA 0.192 4.542 4.350 -0.000 0.000 0.253 320 T C 1.341 175.874 174.700 -0.279 0.000 1.118 320 T CA 0.626 62.661 62.100 -0.107 0.000 1.058 320 T CB 0.688 69.534 68.868 -0.038 0.000 0.953 320 T HN 0.396 nan 8.240 nan 0.000 0.515 321 G N 1.050 109.720 108.800 -0.217 0.000 2.176 321 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.232 321 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.232 321 G C -0.185 174.556 174.900 -0.265 0.000 0.986 321 G CA -0.172 44.790 45.100 -0.229 0.000 0.643 321 G HN 0.695 nan 8.290 nan 0.000 0.522 322 H N 0.711 119.765 119.070 -0.026 0.000 2.527 322 H HA 0.562 5.118 4.556 -0.000 0.000 0.321 322 H C 0.488 175.780 175.328 -0.059 0.000 1.087 322 H CA 0.206 56.232 56.048 -0.037 0.000 1.337 322 H CB 1.607 31.346 29.762 -0.038 0.000 1.440 322 H HN 0.168 nan 8.280 nan 0.000 0.490 323 S N 2.393 118.138 115.700 0.075 0.000 2.525 323 S HA 0.040 4.510 4.470 -0.000 0.000 0.285 323 S C 1.556 176.133 174.600 -0.038 0.000 1.283 323 S CA -0.466 57.742 58.200 0.015 0.000 1.072 323 S CB -0.080 63.144 63.200 0.040 0.000 0.867 323 S HN 0.499 nan 8.310 nan 0.000 0.492 324 I N 4.161 124.656 120.570 -0.126 0.000 2.339 324 I HA 0.017 4.187 4.170 -0.000 0.000 0.245 324 I C 0.855 176.696 176.117 -0.461 0.000 1.096 324 I CA 1.087 62.148 61.300 -0.399 0.000 1.408 324 I CB -0.118 37.438 38.000 -0.741 0.000 1.092 324 I HN 0.654 nan 8.210 nan 0.000 0.423 325 F N 0.776 120.729 119.950 0.004 0.000 2.695 325 F HA 0.461 4.988 4.527 -0.000 0.000 0.303 325 F C 1.300 177.125 175.800 0.041 0.000 1.091 325 F CA 0.060 58.065 58.000 0.009 0.000 1.300 325 F CB -0.345 38.662 39.000 0.011 0.000 1.071 325 F HN 0.087 nan 8.300 nan 0.000 0.578 326 G N 1.059 109.971 108.800 0.187 0.000 2.855 326 G HA2 0.092 4.052 3.960 -0.000 0.000 0.352 326 G HA3 0.092 4.052 3.960 -0.000 0.000 0.352 326 G C -0.533 174.464 174.900 0.162 0.000 1.415 326 G CA -0.721 44.484 45.100 0.175 0.000 0.871 326 G HN 0.656 nan 8.290 nan 0.000 0.543 327 A N -0.520 122.374 122.820 0.123 0.000 2.324 327 A HA 0.782 5.102 4.320 -0.000 0.000 0.330 327 A C 0.348 177.976 177.584 0.074 0.000 1.165 327 A CA -0.545 51.548 52.037 0.094 0.000 0.813 327 A CB 0.750 19.798 19.000 0.080 0.000 1.197 327 A HN 1.110 nan 8.150 nan 0.000 0.484 328 I N 1.544 122.143 120.570 0.048 0.000 2.371 328 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 328 I C 0.347 176.480 176.117 0.026 0.000 1.028 328 I CA 0.335 61.647 61.300 0.020 0.000 1.345 328 I CB 0.944 38.930 38.000 -0.023 0.000 1.407 328 I HN 0.783 nan 8.210 nan 0.000 0.501 329 E N 6.870 127.086 120.200 0.027 0.000 2.294 329 E HA 0.373 4.723 4.350 -0.000 0.000 0.272 329 E C -1.547 175.067 176.600 0.023 0.000 0.896 329 E CA -0.609 55.808 56.400 0.028 0.000 0.802 329 E CB 1.289 31.012 29.700 0.039 0.000 1.267 329 E HN 0.557 nan 8.360 nan 0.000 0.406 330 Q N 3.064 122.874 119.800 0.016 0.000 2.305 330 Q HA 0.331 4.671 4.340 -0.000 0.000 0.271 330 Q C -1.215 174.798 176.000 0.022 0.000 1.046 330 Q CA -0.835 54.978 55.803 0.017 0.000 0.798 330 Q CB 2.934 31.678 28.738 0.009 0.000 1.286 330 Q HN 0.278 nan 8.270 nan 0.000 0.435 331 K N 1.931 122.348 120.400 0.027 0.000 2.201 331 K HA 0.401 4.721 4.320 -0.000 0.000 0.278 331 K C -0.775 175.859 176.600 0.056 0.000 1.027 331 K CA -0.429 55.879 56.287 0.036 0.000 0.909 331 K CB 1.050 33.568 32.500 0.028 0.000 1.062 331 K HN 0.374 nan 8.250 nan 0.000 0.465 332 V N 3.268 123.231 119.914 0.082 0.000 2.530 332 V HA 0.471 4.591 4.120 -0.000 0.000 0.282 332 V C 0.710 176.917 176.094 0.189 0.000 1.048 332 V CA -0.080 62.306 62.300 0.143 0.000 0.997 332 V CB 1.001 32.918 31.823 0.156 0.000 0.987 332 V HN 0.982 nan 8.190 nan 0.000 0.477 333 G N 3.400 112.298 108.800 0.164 0.000 2.695 333 G HA2 0.576 4.536 3.960 -0.000 0.000 0.290 333 G HA3 0.576 4.536 3.960 -0.000 0.000 0.290 333 G C -1.351 173.343 174.900 -0.344 0.000 1.410 333 G CA -0.987 44.076 45.100 -0.062 0.000 0.844 333 G HN 0.603 nan 8.290 nan 0.000 0.478 334 K N 0.012 119.888 120.400 -0.872 0.000 2.339 334 K HA 0.382 4.701 4.320 -0.000 0.000 0.286 334 K C -1.025 175.426 176.600 -0.248 0.000 1.050 334 K CA -0.547 55.196 56.287 -0.906 0.000 0.956 334 K CB 0.382 32.288 32.500 -0.990 0.000 0.990 334 K HN 0.433 nan 8.250 nan 0.000 0.475 335 Y N 3.377 123.572 120.300 -0.174 0.000 2.336 335 Y HA 0.262 4.811 4.550 -0.000 0.000 0.335 335 Y C -0.772 175.087 175.900 -0.068 0.000 1.046 335 Y CA -0.053 58.005 58.100 -0.070 0.000 1.198 335 Y CB 0.771 39.242 38.460 0.018 0.000 1.182 335 Y HN 0.689 nan 8.280 nan 0.000 0.502 336 E N 5.941 125.786 120.200 -0.591 0.000 2.256 336 E HA 0.339 4.689 4.350 -0.000 0.000 0.268 336 E C -0.546 175.658 176.600 -0.661 0.000 0.877 336 E CA -1.183 54.909 56.400 -0.514 0.000 0.757 336 E CB 1.371 30.909 29.700 -0.270 0.000 1.183 336 E HN 0.574 nan 8.360 nan 0.000 0.418 337 R N 0.000 120.186 120.500 -0.524 0.000 2.786 337 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 337 R CA 0.000 55.900 56.100 -0.333 0.000 0.921 337 R CB 0.000 30.219 30.300 -0.135 0.000 0.687 337 R HN 0.000 nan 8.270 nan 0.000 0.535