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 3qbx_1_A DATA FIRST_RESID 2 DATA SEQUENCE PRYLGLMSGT SLDGMDIVLI EQGDRTTLLA SHYLPMPAGL REDILALCVP DATA SEQUENCE GPDEIARAAE VEQRWVALAA QGVRELLLQQ QMSPDEVRAI GSHGQTIRHE DATA SEQUENCE PARHFTVQIG NPALLAELTG IDVVADFRRR DVAAGGQGAP LVPAFHQALF DATA SEQUENCE GXXXXSRAVL NIGGFSNVSL LSPGKPVRGF DCGPGNVLMD AWIHHQRGEH DATA SEQUENCE FDRDGAWAAS GQVNHALLAS LLADEFFAAR GPKSTGRERF NLPWLQEHLX DATA SEQUENCE XXXXLPAADI QATLLELSAR SISESLLDAQ PDCEEVLVCG GGAFNTALMK DATA SEQUENCE RLAMLMPEAR VASTDEYGIP PAWMEGMAFA WLAHRFLERL PGNCPDVTGA DATA SEQUENCE LGPRTLGALY PA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.196 177.300 -0.174 0.000 1.155 2 P CA 0.000 63.043 63.100 -0.095 0.000 0.800 2 P CB 0.000 31.584 31.700 -0.194 0.000 0.726 3 R N -0.093 120.239 120.500 -0.280 0.000 2.368 3 R HA 0.693 5.033 4.340 -0.000 0.000 0.302 3 R C -0.966 175.084 176.300 -0.417 0.000 1.002 3 R CA -0.431 55.546 56.100 -0.205 0.000 0.929 3 R CB 0.766 31.006 30.300 -0.099 0.000 1.073 3 R HN 0.400 nan 8.270 nan 0.000 0.464 4 Y N 1.618 121.950 120.300 0.052 0.000 2.477 4 Y HA 0.358 4.908 4.550 -0.000 0.000 0.347 4 Y C -0.205 175.734 175.900 0.064 0.000 0.981 4 Y CA -0.905 57.238 58.100 0.072 0.000 1.033 4 Y CB 1.620 40.137 38.460 0.095 0.000 1.245 4 Y HN 0.250 nan 8.280 nan 0.000 0.455 5 L N 2.440 123.794 121.223 0.219 0.000 2.334 5 L HA 0.718 5.058 4.340 -0.000 0.000 0.277 5 L C 0.548 177.534 176.870 0.193 0.000 1.075 5 L CA -0.517 54.420 54.840 0.161 0.000 0.804 5 L CB 1.184 43.309 42.059 0.110 0.000 1.174 5 L HN 0.864 nan 8.230 nan 0.000 0.438 6 G N 2.954 111.855 108.800 0.168 0.000 2.416 6 G HA2 0.591 4.550 3.960 -0.000 0.000 0.324 6 G HA3 0.591 4.550 3.960 -0.000 0.000 0.324 6 G C -1.655 173.354 174.900 0.183 0.000 1.194 6 G CA -0.353 44.862 45.100 0.190 0.000 0.922 6 G HN 0.377 nan 8.290 nan 0.000 0.467 7 L N 2.861 124.194 121.223 0.184 0.000 2.372 7 L HA 0.857 5.196 4.340 -0.000 0.000 0.274 7 L C -0.669 176.285 176.870 0.140 0.000 0.988 7 L CA -0.878 54.052 54.840 0.150 0.000 0.833 7 L CB 1.828 43.963 42.059 0.127 0.000 1.236 7 L HN 0.516 nan 8.230 nan 0.000 0.410 8 M N 4.180 123.868 119.600 0.146 0.000 2.395 8 M HA 0.650 5.130 4.480 -0.000 0.000 0.307 8 M C -1.294 175.103 176.300 0.162 0.000 1.091 8 M CA -0.027 55.340 55.300 0.111 0.000 0.919 8 M CB 2.189 34.859 32.600 0.118 0.000 1.662 8 M HN 0.475 nan 8.290 nan 0.000 0.440 9 S N 2.985 118.817 115.700 0.221 0.000 2.756 9 S HA 0.822 5.292 4.470 -0.000 0.000 0.303 9 S C -0.239 174.463 174.600 0.170 0.000 1.135 9 S CA -0.306 58.038 58.200 0.241 0.000 1.066 9 S CB 0.430 63.918 63.200 0.480 0.000 1.008 9 S HN 1.017 nan 8.310 nan 0.000 0.482 10 G N 2.221 111.084 108.800 0.103 0.000 2.574 10 G HA2 0.311 4.271 3.960 -0.000 0.000 0.248 10 G HA3 0.311 4.271 3.960 -0.000 0.000 0.248 10 G C 0.938 175.894 174.900 0.093 0.000 1.422 10 G CA -0.093 45.047 45.100 0.066 0.000 1.051 10 G HN 0.603 nan 8.290 nan 0.000 0.560 11 T N -0.076 114.538 114.554 0.099 0.000 2.821 11 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 11 T C 2.656 177.407 174.700 0.085 0.000 1.046 11 T CA 1.850 64.029 62.100 0.131 0.000 1.139 11 T CB -0.268 68.719 68.868 0.198 0.000 0.871 11 T HN 0.458 nan 8.240 nan 0.000 0.454 12 S N 0.638 116.367 115.700 0.048 0.000 2.423 12 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 12 S C 1.287 175.911 174.600 0.039 0.000 1.014 12 S CA 0.589 58.806 58.200 0.028 0.000 0.965 12 S CB -0.586 62.611 63.200 -0.006 0.000 0.785 12 S HN 0.545 nan 8.310 nan 0.000 0.495 13 L N 1.285 122.544 121.223 0.060 0.000 4.040 13 L HA -0.228 4.112 4.340 -0.000 0.000 0.410 13 L C 1.005 177.895 176.870 0.034 0.000 1.187 13 L CA 0.714 55.594 54.840 0.067 0.000 0.956 13 L CB -1.817 40.287 42.059 0.075 0.000 2.022 13 L HN 0.574 nan 8.230 nan 0.000 0.897 14 D N -0.291 120.129 120.400 0.032 0.000 2.162 14 D HA 0.136 4.776 4.640 -0.000 0.000 0.203 14 D C 1.067 177.406 176.300 0.064 0.000 0.967 14 D CA 1.418 55.437 54.000 0.031 0.000 0.840 14 D CB 0.456 41.281 40.800 0.042 0.000 0.972 14 D HN 0.487 nan 8.370 nan 0.000 0.482 15 G N -0.562 108.272 108.800 0.057 0.000 2.340 15 G HA2 0.407 4.367 3.960 -0.000 0.000 0.299 15 G HA3 0.407 4.367 3.960 -0.000 0.000 0.299 15 G C -1.391 173.426 174.900 -0.138 0.000 1.291 15 G CA -0.886 44.097 45.100 -0.196 0.000 0.841 15 G HN 0.001 nan 8.290 nan 0.000 0.500 16 M N 1.391 120.806 119.600 -0.308 0.000 2.264 16 M HA 0.342 4.822 4.480 -0.000 0.000 0.352 16 M C -1.146 175.137 176.300 -0.028 0.000 1.173 16 M CA -0.631 54.575 55.300 -0.156 0.000 1.075 16 M CB 1.369 33.806 32.600 -0.271 0.000 1.621 16 M HN 0.338 nan 8.290 nan 0.000 0.457 17 D N 4.318 124.799 120.400 0.136 0.000 2.232 17 D HA 0.569 5.209 4.640 -0.000 0.000 0.242 17 D C -0.539 175.934 176.300 0.288 0.000 1.093 17 D CA 0.035 54.239 54.000 0.340 0.000 0.845 17 D CB 1.691 42.677 40.800 0.310 0.000 1.124 17 D HN 0.453 nan 8.370 nan 0.000 0.467 18 I N 1.273 122.035 120.570 0.321 0.000 2.545 18 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 18 I C -0.478 175.714 176.117 0.125 0.000 1.040 18 I CA -1.017 60.395 61.300 0.187 0.000 1.068 18 I CB 2.474 40.552 38.000 0.129 0.000 1.251 18 I HN -0.091 nan 8.210 nan 0.000 0.424 19 V N 6.032 126.008 119.914 0.105 0.000 2.709 19 V HA 0.458 4.578 4.120 -0.000 0.000 0.308 19 V C -0.996 175.125 176.094 0.044 0.000 1.062 19 V CA -0.653 61.672 62.300 0.041 0.000 0.901 19 V CB 2.729 34.635 31.823 0.138 0.000 1.003 19 V HN 0.458 nan 8.190 nan 0.000 0.425 20 L N 6.990 128.213 121.223 -0.001 0.000 2.313 20 L HA 0.761 5.101 4.340 -0.000 0.000 0.283 20 L C -0.482 176.415 176.870 0.044 0.000 1.013 20 L CA 0.055 54.912 54.840 0.028 0.000 0.816 20 L CB 1.349 43.405 42.059 -0.005 0.000 1.236 20 L HN 0.673 nan 8.230 nan 0.000 0.419 21 I N 0.739 121.368 120.570 0.097 0.000 2.740 21 I HA 0.731 4.901 4.170 -0.000 0.000 0.303 21 I C -0.898 175.293 176.117 0.124 0.000 1.044 21 I CA -0.816 60.554 61.300 0.116 0.000 1.064 21 I CB 2.062 40.154 38.000 0.153 0.000 1.249 21 I HN 0.599 nan 8.210 nan 0.000 0.433 22 E N 3.457 123.716 120.200 0.099 0.000 2.156 22 E HA 0.354 4.704 4.350 -0.000 0.000 0.279 22 E C -1.153 175.512 176.600 0.107 0.000 0.965 22 E CA -0.321 56.131 56.400 0.086 0.000 0.789 22 E CB 1.373 31.102 29.700 0.049 0.000 1.098 22 E HN 0.603 nan 8.360 nan 0.000 0.397 23 Q N 3.275 123.148 119.800 0.123 0.000 2.320 23 Q HA 0.628 4.968 4.340 -0.000 0.000 0.268 23 Q C -0.539 175.469 176.000 0.012 0.000 1.023 23 Q CA -0.250 55.589 55.803 0.061 0.000 0.744 23 Q CB 1.359 30.095 28.738 -0.002 0.000 1.246 23 Q HN 0.662 nan 8.270 nan 0.000 0.462 24 G N 1.186 109.998 108.800 0.021 0.000 3.054 24 G HA2 0.256 4.216 3.960 -0.000 0.000 0.201 24 G HA3 0.256 4.216 3.960 -0.000 0.000 0.201 24 G C 0.452 175.383 174.900 0.051 0.000 1.694 24 G CA 0.394 45.517 45.100 0.038 0.000 0.742 24 G HN 0.560 nan 8.290 nan 0.000 0.790 25 D N -0.145 120.288 120.400 0.054 0.000 2.219 25 D HA 0.187 4.827 4.640 -0.000 0.000 0.205 25 D C 1.357 177.691 176.300 0.057 0.000 0.970 25 D CA 1.581 55.616 54.000 0.058 0.000 0.851 25 D CB -0.224 40.602 40.800 0.043 0.000 0.943 25 D HN 0.667 nan 8.370 nan 0.000 0.488 26 R N -2.575 117.953 120.500 0.047 0.000 2.846 26 R HA 0.588 4.928 4.340 -0.000 0.000 0.263 26 R C -1.449 174.884 176.300 0.056 0.000 1.080 26 R CA -0.556 55.564 56.100 0.034 0.000 0.961 26 R CB 0.826 31.128 30.300 0.004 0.000 1.231 26 R HN -0.043 nan 8.270 nan 0.000 0.465 27 T N 1.411 115.991 114.554 0.044 0.000 2.758 27 T HA 0.370 4.720 4.350 -0.000 0.000 0.285 27 T C -0.837 173.903 174.700 0.068 0.000 0.981 27 T CA -0.404 61.755 62.100 0.098 0.000 0.965 27 T CB 1.358 70.334 68.868 0.179 0.000 0.927 27 T HN 0.492 nan 8.240 nan 0.000 0.448 28 T N 3.943 118.545 114.554 0.079 0.000 2.786 28 T HA 0.388 4.738 4.350 -0.000 0.000 0.283 28 T C -0.260 174.483 174.700 0.071 0.000 0.992 28 T CA -0.712 61.425 62.100 0.062 0.000 0.954 28 T CB 1.119 70.014 68.868 0.044 0.000 0.934 28 T HN 0.387 nan 8.240 nan 0.000 0.440 29 L N 4.752 126.017 121.223 0.070 0.000 2.433 29 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 29 L C 0.551 177.428 176.870 0.012 0.000 1.128 29 L CA 0.261 55.131 54.840 0.050 0.000 0.875 29 L CB -0.210 41.884 42.059 0.058 0.000 1.171 29 L HN 0.748 nan 8.230 nan 0.000 0.463 30 L N 4.961 126.183 121.223 -0.002 0.000 2.357 30 L HA 0.478 4.818 4.340 -0.000 0.000 0.211 30 L C 0.659 177.496 176.870 -0.054 0.000 1.075 30 L CA 0.541 55.370 54.840 -0.018 0.000 0.830 30 L CB -0.100 41.954 42.059 -0.007 0.000 0.996 30 L HN 0.818 nan 8.230 nan 0.000 0.467 31 A N -0.768 121.997 122.820 -0.092 0.000 2.599 31 A HA 0.608 4.928 4.320 -0.000 0.000 0.294 31 A C -1.004 176.424 177.584 -0.259 0.000 1.055 31 A CA -0.270 51.678 52.037 -0.149 0.000 0.683 31 A CB 1.281 20.219 19.000 -0.104 0.000 1.278 31 A HN 0.007 nan 8.150 nan 0.000 0.412 32 S N 0.353 115.810 115.700 -0.405 0.000 2.569 32 S HA 0.850 5.320 4.470 -0.000 0.000 0.280 32 S C -1.021 173.340 174.600 -0.398 0.000 1.111 32 S CA -0.565 57.202 58.200 -0.723 0.000 0.887 32 S CB 1.724 63.791 63.200 -1.888 0.000 1.095 32 S HN 1.794 nan 8.310 nan 0.000 0.476 33 H N 0.216 119.066 119.070 -0.367 0.000 3.042 33 H HA 0.495 5.051 4.556 -0.000 0.000 0.345 33 H C -2.285 173.194 175.328 0.252 0.000 1.052 33 H CA -0.501 55.533 56.048 -0.024 0.000 1.311 33 H CB 1.199 30.940 29.762 -0.035 0.000 1.810 33 H HN 0.782 nan 8.280 nan 0.000 0.505 34 Y N 5.531 125.722 120.300 -0.181 0.000 2.360 34 Y HA 0.561 5.111 4.550 -0.000 0.000 0.337 34 Y C -1.817 173.834 175.900 -0.414 0.000 1.039 34 Y CA -1.090 56.949 58.100 -0.101 0.000 1.109 34 Y CB 1.052 39.573 38.460 0.102 0.000 1.201 34 Y HN 0.630 nan 8.280 nan 0.000 0.458 35 L N 9.592 130.265 121.223 -0.917 0.000 2.376 35 L HA 0.626 4.966 4.340 -0.000 0.000 0.275 35 L C -2.655 173.660 176.870 -0.924 0.000 0.987 35 L CA -2.781 51.618 54.840 -0.735 0.000 0.828 35 L CB 1.672 43.480 42.059 -0.418 0.000 1.249 35 L HN 0.491 nan 8.230 nan 0.000 0.409 36 P HA 0.070 nan 4.420 nan 0.000 0.268 36 P C -0.746 176.405 177.300 -0.247 0.000 1.205 36 P CA -0.255 62.619 63.100 -0.378 0.000 0.771 36 P CB 0.677 32.327 31.700 -0.083 0.000 0.858 37 M N 4.480 123.980 119.600 -0.166 0.000 2.188 37 M HA 0.369 4.849 4.480 -0.000 0.000 0.357 37 M C -2.307 173.964 176.300 -0.048 0.000 1.204 37 M CA -2.244 52.996 55.300 -0.100 0.000 1.095 37 M CB 0.963 33.531 32.600 -0.054 0.000 1.604 37 M HN 0.153 nan 8.290 nan 0.000 0.464 38 P HA 0.127 nan 4.420 nan 0.000 0.269 38 P C -0.278 177.033 177.300 0.018 0.000 1.215 38 P CA -0.061 63.037 63.100 -0.004 0.000 0.780 38 P CB 0.577 32.277 31.700 -0.000 0.000 0.898 39 A N 2.977 125.818 122.820 0.034 0.000 1.892 39 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 39 A C 2.320 179.938 177.584 0.057 0.000 1.188 39 A CA 2.386 54.457 52.037 0.058 0.000 0.631 39 A CB -1.873 17.173 19.000 0.076 0.000 0.822 39 A HN 0.656 nan 8.150 nan 0.000 0.447 40 G N -0.393 108.435 108.800 0.047 0.000 2.476 40 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 40 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 40 G C 1.498 176.428 174.900 0.050 0.000 1.164 40 G CA 1.350 46.477 45.100 0.046 0.000 0.768 40 G HN 0.508 nan 8.290 nan 0.000 0.560 41 L N 0.627 121.879 121.223 0.049 0.000 2.056 41 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 41 L C 2.772 179.689 176.870 0.077 0.000 1.078 41 L CA 2.090 56.969 54.840 0.065 0.000 0.749 41 L CB -0.621 41.477 42.059 0.065 0.000 0.901 41 L HN 0.291 nan 8.230 nan 0.000 0.433 42 R N -0.609 119.931 120.500 0.068 0.000 2.080 42 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 42 R C 2.006 178.350 176.300 0.074 0.000 1.137 42 R CA 1.729 57.872 56.100 0.071 0.000 0.943 42 R CB -0.227 30.106 30.300 0.055 0.000 0.846 42 R HN 0.361 nan 8.270 nan 0.000 0.431 43 E N 0.820 121.063 120.200 0.072 0.000 2.110 43 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 43 E C 1.667 178.306 176.600 0.065 0.000 0.988 43 E CA 1.185 57.629 56.400 0.073 0.000 0.804 43 E CB -0.273 29.471 29.700 0.074 0.000 0.745 43 E HN 0.460 nan 8.360 nan 0.000 0.458 44 D N 0.420 120.856 120.400 0.060 0.000 2.144 44 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 44 D C 2.133 178.463 176.300 0.051 0.000 0.978 44 D CA 0.474 54.505 54.000 0.052 0.000 0.833 44 D CB -0.186 40.644 40.800 0.050 0.000 0.961 44 D HN 0.203 nan 8.370 nan 0.000 0.470 45 I N 0.498 121.104 120.570 0.061 0.000 2.179 45 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 45 I C 2.394 178.543 176.117 0.054 0.000 1.088 45 I CA 0.687 62.019 61.300 0.054 0.000 1.357 45 I CB -0.137 37.908 38.000 0.074 0.000 1.051 45 I HN -0.035 nan 8.210 nan 0.000 0.409 46 L N 0.499 121.761 121.223 0.066 0.000 2.079 46 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 46 L C 2.784 179.692 176.870 0.063 0.000 1.081 46 L CA 1.304 56.187 54.840 0.071 0.000 0.752 46 L CB -0.697 41.411 42.059 0.081 0.000 0.896 46 L HN 0.269 nan 8.230 nan 0.000 0.433 47 A N -0.263 122.591 122.820 0.056 0.000 2.019 47 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 47 A C 2.122 179.731 177.584 0.041 0.000 1.164 47 A CA 1.247 53.313 52.037 0.049 0.000 0.644 47 A CB -0.488 18.539 19.000 0.044 0.000 0.805 47 A HN 0.418 nan 8.150 nan 0.000 0.449 48 L N -1.252 119.992 121.223 0.036 0.000 2.558 48 L HA -0.037 4.303 4.340 -0.000 0.000 0.225 48 L C 1.575 178.466 176.870 0.035 0.000 1.128 48 L CA -0.042 54.815 54.840 0.027 0.000 0.868 48 L CB -0.087 41.980 42.059 0.013 0.000 1.006 48 L HN 0.412 nan 8.230 nan 0.000 0.454 49 C N -0.602 118.725 119.300 0.045 0.000 2.562 49 C HA 0.136 4.595 4.460 -0.000 0.000 0.266 49 C C 1.092 176.114 174.990 0.053 0.000 1.382 49 C CA -0.521 58.529 59.018 0.053 0.000 1.742 49 C CB -0.982 26.797 27.740 0.065 0.000 1.812 49 C HN 0.325 nan 8.230 nan 0.000 0.559 50 V N -3.217 116.727 119.914 0.049 0.000 2.960 50 V HA 0.630 4.750 4.120 -0.000 0.000 0.315 50 V C -3.021 173.097 176.094 0.041 0.000 1.087 50 V CA -2.834 59.494 62.300 0.046 0.000 0.982 50 V CB 0.766 32.618 31.823 0.048 0.000 1.039 50 V HN -0.207 nan 8.190 nan 0.000 0.437 51 P HA 0.514 nan 4.420 nan 0.000 0.265 51 P C 0.112 177.428 177.300 0.027 0.000 1.193 51 P CA 0.770 63.889 63.100 0.033 0.000 0.765 51 P CB 0.681 32.401 31.700 0.033 0.000 0.823 52 G N 2.415 111.227 108.800 0.021 0.000 2.645 52 G HA2 0.587 4.547 3.960 -0.000 0.000 0.292 52 G HA3 0.587 4.547 3.960 -0.000 0.000 0.292 52 G C -3.165 171.742 174.900 0.011 0.000 1.415 52 G CA -0.981 44.130 45.100 0.018 0.000 0.785 52 G HN 0.314 nan 8.290 nan 0.000 0.483 53 P HA 0.322 nan 4.420 nan 0.000 0.277 53 P C -0.362 176.940 177.300 0.004 0.000 1.240 53 P CA 0.248 63.352 63.100 0.007 0.000 0.798 53 P CB 1.351 33.056 31.700 0.008 0.000 0.979 54 D N 0.170 120.569 120.400 -0.000 0.000 2.751 54 D HA -0.176 4.464 4.640 -0.000 0.000 0.233 54 D C 0.700 176.997 176.300 -0.005 0.000 1.149 54 D CA 1.082 55.081 54.000 -0.003 0.000 0.682 54 D CB -1.192 39.609 40.800 0.001 0.000 1.068 54 D HN 0.500 nan 8.370 nan 0.000 0.429 55 E N -0.473 119.722 120.200 -0.008 0.000 2.150 55 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 55 E C 2.067 178.656 176.600 -0.018 0.000 0.985 55 E CA 0.821 57.215 56.400 -0.011 0.000 0.814 55 E CB 0.160 29.853 29.700 -0.013 0.000 0.752 55 E HN 0.477 nan 8.360 nan 0.000 0.466 56 I N 1.166 121.723 120.570 -0.022 0.000 2.113 56 I HA -0.248 3.922 4.170 -0.000 0.000 0.238 56 I C 2.502 178.607 176.117 -0.020 0.000 1.070 56 I CA 1.350 62.635 61.300 -0.026 0.000 1.332 56 I CB -1.478 36.505 38.000 -0.028 0.000 1.044 56 I HN 0.039 nan 8.210 nan 0.000 0.402 57 A N 0.634 123.446 122.820 -0.013 0.000 1.902 57 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 57 A C 2.488 180.069 177.584 -0.005 0.000 1.181 57 A CA 1.449 53.481 52.037 -0.008 0.000 0.623 57 A CB -0.594 18.403 19.000 -0.004 0.000 0.818 57 A HN 0.329 nan 8.150 nan 0.000 0.443 58 R N -0.590 119.908 120.500 -0.003 0.000 2.081 58 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 58 R C 2.475 178.773 176.300 -0.002 0.000 1.131 58 R CA 1.280 57.381 56.100 0.002 0.000 0.960 58 R CB -0.439 29.864 30.300 0.005 0.000 0.856 58 R HN 0.515 nan 8.270 nan 0.000 0.436 59 A N 1.016 123.829 122.820 -0.013 0.000 1.930 59 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 59 A C 2.343 179.911 177.584 -0.026 0.000 1.175 59 A CA 1.531 53.552 52.037 -0.025 0.000 0.627 59 A CB -0.617 18.359 19.000 -0.040 0.000 0.815 59 A HN 0.398 nan 8.150 nan 0.000 0.443 60 A N -0.704 122.104 122.820 -0.021 0.000 1.940 60 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 60 A C 2.149 179.732 177.584 -0.001 0.000 1.176 60 A CA 2.489 54.516 52.037 -0.016 0.000 0.631 60 A CB -0.965 18.027 19.000 -0.013 0.000 0.814 60 A HN 0.732 nan 8.150 nan 0.000 0.446 61 E N -0.803 119.400 120.200 0.005 0.000 2.076 61 E HA 0.040 4.390 4.350 -0.000 0.000 0.190 61 E C 2.065 178.683 176.600 0.031 0.000 0.979 61 E CA 1.189 57.599 56.400 0.017 0.000 0.807 61 E CB -1.159 28.550 29.700 0.015 0.000 0.761 61 E HN 0.358 nan 8.360 nan 0.000 0.454 62 V N 1.553 121.485 119.914 0.029 0.000 2.282 62 V HA -0.330 3.789 4.120 -0.000 0.000 0.249 62 V C 2.670 178.814 176.094 0.083 0.000 1.057 62 V CA 2.513 64.843 62.300 0.050 0.000 1.032 62 V CB -0.415 31.427 31.823 0.032 0.000 0.645 62 V HN 0.763 nan 8.190 nan 0.000 0.447 63 E N 0.029 120.252 120.200 0.039 0.000 2.110 63 E HA -0.340 4.010 4.350 -0.000 0.000 0.193 63 E C 2.206 178.882 176.600 0.126 0.000 0.988 63 E CA 1.710 58.136 56.400 0.043 0.000 0.804 63 E CB -0.125 29.550 29.700 -0.042 0.000 0.745 63 E HN 0.717 nan 8.360 nan 0.000 0.458 64 Q N 0.697 120.545 119.800 0.079 0.000 2.084 64 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 64 Q C 2.094 178.145 176.000 0.085 0.000 0.978 64 Q CA 1.711 57.556 55.803 0.070 0.000 0.844 64 Q CB -0.023 28.738 28.738 0.038 0.000 0.898 64 Q HN 0.190 nan 8.270 nan 0.000 0.426 65 R N -1.044 119.511 120.500 0.092 0.000 2.092 65 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 65 R C 1.946 178.305 176.300 0.098 0.000 1.119 65 R CA 1.363 57.508 56.100 0.076 0.000 0.970 65 R CB -0.548 29.793 30.300 0.068 0.000 0.864 65 R HN 0.447 nan 8.270 nan 0.000 0.440 66 W N 0.970 122.254 121.300 -0.026 0.000 2.355 66 W HA -0.209 4.451 4.660 -0.000 0.000 0.309 66 W C 1.831 178.328 176.519 -0.036 0.000 1.206 66 W CA 1.244 58.570 57.345 -0.031 0.000 1.284 66 W CB -0.180 29.261 29.460 -0.032 0.000 1.145 66 W HN -0.242 nan 8.180 nan 0.000 0.502 67 V N 1.189 121.297 119.914 0.324 0.000 2.343 67 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 67 V C 2.462 178.535 176.094 -0.035 0.000 1.051 67 V CA 2.068 64.460 62.300 0.153 0.000 1.036 67 V CB -1.708 30.223 31.823 0.180 0.000 0.654 67 V HN 0.350 nan 8.190 nan 0.000 0.451 68 A N -0.206 122.604 122.820 -0.016 0.000 1.902 68 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 68 A C 2.176 179.703 177.584 -0.095 0.000 1.181 68 A CA 2.117 54.129 52.037 -0.042 0.000 0.623 68 A CB -0.580 18.409 19.000 -0.018 0.000 0.818 68 A HN 0.453 nan 8.150 nan 0.000 0.443 69 L N -0.372 120.763 121.223 -0.147 0.000 2.046 69 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 69 L C 2.705 179.412 176.870 -0.272 0.000 1.077 69 L CA 2.086 56.803 54.840 -0.206 0.000 0.747 69 L CB -0.618 41.292 42.059 -0.249 0.000 0.896 69 L HN 0.349 nan 8.230 nan 0.000 0.432 70 A N -0.573 122.006 122.820 -0.400 0.000 1.877 70 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 70 A C 2.454 179.927 177.584 -0.185 0.000 1.186 70 A CA 1.743 53.545 52.037 -0.390 0.000 0.620 70 A CB -1.186 17.462 19.000 -0.587 0.000 0.822 70 A HN 0.547 nan 8.150 nan 0.000 0.443 71 A N -0.663 122.078 122.820 -0.132 0.000 1.908 71 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 71 A C 2.223 179.772 177.584 -0.058 0.000 1.181 71 A CA 1.910 53.905 52.037 -0.070 0.000 0.627 71 A CB -0.654 18.318 19.000 -0.047 0.000 0.818 71 A HN 0.692 nan 8.150 nan 0.000 0.445 72 Q N -0.590 119.169 119.800 -0.068 0.000 2.096 72 Q HA -0.138 4.201 4.340 -0.000 0.000 0.204 72 Q C 2.008 177.994 176.000 -0.024 0.000 0.982 72 Q CA 1.848 57.622 55.803 -0.048 0.000 0.850 72 Q CB -0.540 28.165 28.738 -0.055 0.000 0.901 72 Q HN 0.563 nan 8.270 nan 0.000 0.422 73 G N -0.081 108.701 108.800 -0.030 0.000 2.408 73 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 73 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 73 G C 1.414 176.359 174.900 0.074 0.000 1.150 73 G CA 0.766 45.907 45.100 0.068 0.000 0.776 73 G HN 0.284 nan 8.290 nan 0.000 0.542 74 V N 0.581 120.496 119.914 0.002 0.000 2.295 74 V HA -0.152 3.967 4.120 -0.000 0.000 0.246 74 V C 2.784 178.856 176.094 -0.037 0.000 1.049 74 V CA 2.105 64.400 62.300 -0.009 0.000 1.024 74 V CB -0.448 31.368 31.823 -0.012 0.000 0.648 74 V HN 0.389 nan 8.190 nan 0.000 0.447 75 R N 0.001 120.477 120.500 -0.040 0.000 2.083 75 R HA -0.226 4.114 4.340 -0.000 0.000 0.237 75 R C 2.297 178.548 176.300 -0.082 0.000 1.137 75 R CA 2.193 58.263 56.100 -0.050 0.000 0.951 75 R CB -0.206 30.071 30.300 -0.038 0.000 0.851 75 R HN 0.642 nan 8.270 nan 0.000 0.434 76 E N 0.539 120.676 120.200 -0.104 0.000 2.051 76 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 76 E C 2.105 178.501 176.600 -0.341 0.000 0.991 76 E CA 1.360 57.641 56.400 -0.199 0.000 0.799 76 E CB -0.211 29.382 29.700 -0.177 0.000 0.748 76 E HN 0.336 nan 8.360 nan 0.000 0.449 77 L N 0.953 121.950 121.223 -0.376 0.000 1.989 77 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 77 L C 2.250 179.017 176.870 -0.172 0.000 1.071 77 L CA 1.352 56.004 54.840 -0.313 0.000 0.749 77 L CB -0.125 41.846 42.059 -0.146 0.000 0.890 77 L HN 0.158 nan 8.230 nan 0.000 0.431 78 L N -0.696 120.458 121.223 -0.115 0.000 2.093 78 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 78 L C 2.531 179.355 176.870 -0.076 0.000 1.085 78 L CA 1.078 55.871 54.840 -0.077 0.000 0.755 78 L CB -0.488 41.539 42.059 -0.054 0.000 0.904 78 L HN 0.344 nan 8.230 nan 0.000 0.435 79 L N -0.760 120.412 121.223 -0.086 0.000 2.017 79 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 79 L C 2.605 179.429 176.870 -0.076 0.000 1.073 79 L CA 1.373 56.170 54.840 -0.072 0.000 0.745 79 L CB -0.463 41.554 42.059 -0.070 0.000 0.894 79 L HN 0.323 nan 8.230 nan 0.000 0.432 80 Q N -0.712 119.023 119.800 -0.107 0.000 2.291 80 Q HA -0.165 4.175 4.340 -0.000 0.000 0.205 80 Q C 1.737 177.690 176.000 -0.077 0.000 0.970 80 Q CA 0.856 56.600 55.803 -0.098 0.000 0.876 80 Q CB 0.171 28.824 28.738 -0.141 0.000 0.935 80 Q HN 0.441 nan 8.270 nan 0.000 0.455 81 Q N -0.261 119.492 119.800 -0.078 0.000 2.282 81 Q HA 0.054 4.394 4.340 -0.000 0.000 0.206 81 Q C -0.331 175.642 176.000 -0.046 0.000 0.878 81 Q CA 0.164 55.931 55.803 -0.060 0.000 0.944 81 Q CB 0.863 29.563 28.738 -0.063 0.000 1.100 81 Q HN 0.368 nan 8.270 nan 0.000 0.509 82 Q N 0.438 120.210 119.800 -0.045 0.000 2.468 82 Q HA -0.183 4.157 4.340 -0.000 0.000 0.289 82 Q C -0.274 175.706 176.000 -0.032 0.000 1.299 82 Q CA 0.723 56.505 55.803 -0.035 0.000 0.838 82 Q CB -1.866 26.855 28.738 -0.029 0.000 1.195 82 Q HN 0.439 nan 8.270 nan 0.000 0.456 83 M N -2.364 117.215 119.600 -0.036 0.000 2.572 83 M HA 0.709 5.189 4.480 -0.000 0.000 0.299 83 M C -0.078 176.203 176.300 -0.031 0.000 1.205 83 M CA -0.905 54.376 55.300 -0.031 0.000 0.876 83 M CB 2.161 34.742 32.600 -0.032 0.000 1.728 83 M HN 0.052 nan 8.290 nan 0.000 0.458 84 S N 0.328 116.012 115.700 -0.026 0.000 2.646 84 S HA 0.555 5.025 4.470 -0.000 0.000 0.276 84 S C -2.168 172.418 174.600 -0.023 0.000 1.222 84 S CA -1.040 57.146 58.200 -0.024 0.000 1.014 84 S CB 1.008 64.196 63.200 -0.019 0.000 0.991 84 S HN 0.636 nan 8.310 nan 0.000 0.533 85 P HA -0.109 nan 4.420 nan 0.000 0.218 85 P C 0.517 177.807 177.300 -0.017 0.000 1.146 85 P CA 1.229 64.320 63.100 -0.016 0.000 0.813 85 P CB -0.080 31.614 31.700 -0.011 0.000 0.778 86 D N -0.449 119.941 120.400 -0.017 0.000 2.310 86 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 86 D C 1.368 177.652 176.300 -0.027 0.000 0.965 86 D CA 0.821 54.810 54.000 -0.018 0.000 0.879 86 D CB -0.324 40.468 40.800 -0.014 0.000 0.921 86 D HN 0.406 nan 8.370 nan 0.000 0.510 87 E N 0.293 120.474 120.200 -0.032 0.000 2.481 87 E HA 0.045 4.394 4.350 -0.000 0.000 0.195 87 E C 0.077 176.639 176.600 -0.064 0.000 1.047 87 E CA 0.052 56.427 56.400 -0.042 0.000 0.867 87 E CB 0.831 30.510 29.700 -0.035 0.000 0.858 87 E HN 0.028 nan 8.360 nan 0.000 0.513 88 V N 1.524 121.401 119.914 -0.061 0.000 2.398 88 V HA 0.177 4.297 4.120 -0.000 0.000 0.286 88 V C 1.099 177.131 176.094 -0.104 0.000 1.026 88 V CA -0.413 61.834 62.300 -0.087 0.000 0.868 88 V CB 1.681 33.480 31.823 -0.039 0.000 0.982 88 V HN 0.074 nan 8.190 nan 0.000 0.443 89 R N 2.894 123.263 120.500 -0.218 0.000 2.073 89 R HA 0.252 4.592 4.340 -0.000 0.000 0.229 89 R C 0.566 176.847 176.300 -0.032 0.000 1.120 89 R CA 1.403 57.394 56.100 -0.181 0.000 0.967 89 R CB 0.221 30.302 30.300 -0.365 0.000 0.862 89 R HN 0.877 nan 8.270 nan 0.000 0.436 90 A N -0.282 122.556 122.820 0.030 0.000 2.608 90 A HA 0.469 4.789 4.320 -0.000 0.000 0.292 90 A C -1.388 176.337 177.584 0.235 0.000 1.066 90 A CA -0.787 51.361 52.037 0.185 0.000 0.676 90 A CB 1.066 20.242 19.000 0.294 0.000 1.277 90 A HN 0.149 nan 8.150 nan 0.000 0.413 91 I N 1.588 122.269 120.570 0.186 0.000 2.321 91 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 91 I C 0.898 177.155 176.117 0.233 0.000 0.998 91 I CA -0.473 60.940 61.300 0.188 0.000 1.227 91 I CB 1.797 39.871 38.000 0.123 0.000 1.368 91 I HN 0.767 nan 8.210 nan 0.000 0.466 92 G N 3.830 112.803 108.800 0.287 0.000 2.391 92 G HA2 0.297 4.257 3.960 -0.000 0.000 0.305 92 G HA3 0.297 4.257 3.960 -0.000 0.000 0.305 92 G C -0.357 174.772 174.900 0.382 0.000 1.072 92 G CA -0.157 45.188 45.100 0.408 0.000 1.016 92 G HN 0.521 nan 8.290 nan 0.000 0.418 93 S N 1.637 117.584 115.700 0.412 0.000 2.474 93 S HA 0.220 4.690 4.470 -0.000 0.000 0.321 93 S C 0.984 175.715 174.600 0.218 0.000 1.080 93 S CA -0.647 57.707 58.200 0.258 0.000 1.106 93 S CB 0.849 64.154 63.200 0.175 0.000 0.984 93 S HN 0.761 nan 8.310 nan 0.000 0.464 94 H N 4.944 123.892 119.070 -0.203 0.000 2.423 94 H HA 0.258 4.814 4.556 -0.000 0.000 0.297 94 H C 1.290 176.503 175.328 -0.192 0.000 1.075 94 H CA 2.168 57.954 56.048 -0.436 0.000 1.342 94 H CB -0.327 28.808 29.762 -1.045 0.000 1.395 94 H HN 1.031 nan 8.280 nan 0.000 0.530 95 G N -0.232 108.441 108.800 -0.212 0.000 2.553 95 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.242 95 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.242 95 G C -0.743 173.868 174.900 -0.482 0.000 1.277 95 G CA 0.105 44.864 45.100 -0.569 0.000 0.910 95 G HN 0.718 nan 8.290 nan 0.000 0.576 96 Q N -0.338 119.066 119.800 -0.660 0.000 2.275 96 Q HA 0.628 4.968 4.340 -0.000 0.000 0.266 96 Q C -0.207 175.661 176.000 -0.220 0.000 1.002 96 Q CA 0.014 55.608 55.803 -0.348 0.000 0.761 96 Q CB 1.379 29.777 28.738 -0.565 0.000 1.255 96 Q HN 0.773 nan 8.270 nan 0.000 0.446 97 T N 5.515 120.065 114.554 -0.006 0.000 2.784 97 T HA 0.195 4.545 4.350 -0.000 0.000 0.291 97 T C 1.096 175.799 174.700 0.006 0.000 0.942 97 T CA 0.222 62.334 62.100 0.020 0.000 1.161 97 T CB -0.102 68.827 68.868 0.101 0.000 0.885 97 T HN 0.679 nan 8.240 nan 0.000 0.534 98 I N -0.042 120.525 120.570 -0.005 0.000 4.139 98 I HA 0.578 4.748 4.170 -0.000 0.000 0.335 98 I C 0.530 176.679 176.117 0.054 0.000 1.327 98 I CA -0.407 60.902 61.300 0.016 0.000 1.112 98 I CB 0.430 38.424 38.000 -0.010 0.000 1.058 98 I HN 0.226 nan 8.210 nan 0.000 0.396 99 R N 0.621 121.171 120.500 0.083 0.000 2.563 99 R HA 0.437 4.777 4.340 -0.000 0.000 0.262 99 R C -1.880 174.504 176.300 0.141 0.000 1.128 99 R CA -0.563 55.609 56.100 0.119 0.000 0.969 99 R CB 0.934 31.357 30.300 0.205 0.000 1.251 99 R HN 0.271 nan 8.270 nan 0.000 0.442 100 H N 1.892 120.913 119.070 -0.082 0.000 3.078 100 H HA 0.436 4.992 4.556 -0.000 0.000 0.319 100 H C -1.152 173.999 175.328 -0.294 0.000 0.995 100 H CA -0.390 55.565 56.048 -0.156 0.000 1.417 100 H CB 1.165 30.847 29.762 -0.134 0.000 1.598 100 H HN 0.445 nan 8.280 nan 0.000 0.515 101 E N 6.771 126.495 120.200 -0.793 0.000 3.786 101 E HA 0.135 4.485 4.350 -0.000 0.000 0.215 101 E C -2.125 173.982 176.600 -0.821 0.000 1.188 101 E CA -1.623 54.254 56.400 -0.873 0.000 1.248 101 E CB 1.294 30.250 29.700 -1.241 0.000 1.260 101 E HN 0.605 nan 8.360 nan 0.000 0.426 102 P HA -0.181 nan 4.420 nan 0.000 0.218 102 P C 1.247 178.277 177.300 -0.450 0.000 1.148 102 P CA 1.072 63.870 63.100 -0.503 0.000 0.822 102 P CB 0.308 31.775 31.700 -0.387 0.000 0.784 103 A N 0.278 122.842 122.820 -0.428 0.000 2.015 103 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 103 A C 2.098 179.392 177.584 -0.485 0.000 1.163 103 A CA 1.036 52.833 52.037 -0.399 0.000 0.646 103 A CB -0.931 17.913 19.000 -0.260 0.000 0.806 103 A HN 0.159 nan 8.150 nan 0.000 0.448 104 R N -1.048 119.185 120.500 -0.444 0.000 2.426 104 R HA 0.135 4.475 4.340 -0.000 0.000 0.263 104 R C -0.462 175.800 176.300 -0.063 0.000 0.961 104 R CA 0.044 56.007 56.100 -0.229 0.000 1.086 104 R CB -0.075 30.170 30.300 -0.092 0.000 1.186 104 R HN 0.629 nan 8.270 nan 0.000 0.537 105 H N -0.671 118.344 119.070 -0.092 0.000 2.791 105 H HA -0.199 4.357 4.556 -0.000 0.000 0.302 105 H C -0.766 174.627 175.328 0.108 0.000 1.198 105 H CA 1.319 57.365 56.048 -0.002 0.000 1.145 105 H CB -2.288 27.502 29.762 0.046 0.000 1.385 105 H HN 0.332 nan 8.280 nan 0.000 0.409 106 F N -1.805 118.141 119.950 -0.007 0.000 2.654 106 F HA 0.672 5.199 4.527 -0.000 0.000 0.308 106 F C -0.772 175.008 175.800 -0.034 0.000 1.108 106 F CA -0.778 57.221 58.000 -0.001 0.000 0.957 106 F CB 2.208 41.212 39.000 0.006 0.000 1.309 106 F HN -0.034 nan 8.300 nan 0.000 0.446 107 T N 2.256 116.968 114.554 0.264 0.000 2.952 107 T HA 0.650 5.000 4.350 -0.000 0.000 0.305 107 T C -2.107 172.735 174.700 0.238 0.000 1.064 107 T CA -0.496 61.744 62.100 0.233 0.000 1.008 107 T CB 1.539 70.589 68.868 0.304 0.000 1.078 107 T HN 0.737 nan 8.240 nan 0.000 0.459 108 V N 5.431 125.466 119.914 0.200 0.000 2.326 108 V HA 0.493 4.613 4.120 -0.000 0.000 0.281 108 V C -0.641 175.446 176.094 -0.012 0.000 1.015 108 V CA -0.760 61.595 62.300 0.092 0.000 0.823 108 V CB 1.146 33.029 31.823 0.100 0.000 1.009 108 V HN 0.798 nan 8.190 nan 0.000 0.436 109 Q N 4.314 124.055 119.800 -0.098 0.000 2.325 109 Q HA 0.664 5.004 4.340 -0.000 0.000 0.262 109 Q C -0.231 175.600 176.000 -0.281 0.000 0.968 109 Q CA -0.170 55.485 55.803 -0.248 0.000 0.877 109 Q CB 2.143 30.640 28.738 -0.402 0.000 1.253 109 Q HN 0.854 nan 8.270 nan 0.000 0.448 110 I N -2.054 118.304 120.570 -0.353 0.000 2.924 110 I HA 0.961 5.131 4.170 -0.000 0.000 0.316 110 I C 0.531 176.283 176.117 -0.608 0.000 1.014 110 I CA -0.928 60.148 61.300 -0.372 0.000 1.106 110 I CB 1.658 39.484 38.000 -0.290 0.000 1.311 110 I HN 0.590 nan 8.210 nan 0.000 0.502 111 G N 2.043 110.557 108.800 -0.478 0.000 2.325 111 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.214 111 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.214 111 G C -0.131 174.669 174.900 -0.166 0.000 1.087 111 G CA -0.392 44.434 45.100 -0.456 0.000 0.811 111 G HN 0.937 nan 8.290 nan 0.000 0.486 112 N N 0.398 119.009 118.700 -0.148 0.000 3.044 112 N HA -0.125 4.615 4.740 -0.000 0.000 0.308 112 N C -0.550 174.836 175.510 -0.207 0.000 1.097 112 N CA 0.610 53.575 53.050 -0.141 0.000 0.828 112 N CB 0.417 38.868 38.487 -0.059 0.000 0.968 112 N HN 0.306 nan 8.380 nan 0.000 0.623 113 P HA -0.094 nan 4.420 nan 0.000 0.218 113 P C 0.987 177.981 177.300 -0.509 0.000 1.149 113 P CA 1.675 64.383 63.100 -0.653 0.000 0.817 113 P CB 0.068 30.902 31.700 -1.444 0.000 0.785 114 A N -0.543 122.045 122.820 -0.386 0.000 1.902 114 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 114 A C 2.100 179.674 177.584 -0.018 0.000 1.181 114 A CA 1.391 53.418 52.037 -0.016 0.000 0.623 114 A CB -1.618 17.458 19.000 0.128 0.000 0.818 114 A HN 0.165 nan 8.150 nan 0.000 0.443 115 L N -0.881 120.318 121.223 -0.040 0.000 2.093 115 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 115 L C 2.186 179.050 176.870 -0.011 0.000 1.085 115 L CA 1.695 56.528 54.840 -0.012 0.000 0.755 115 L CB -0.560 41.498 42.059 -0.002 0.000 0.904 115 L HN 0.342 nan 8.230 nan 0.000 0.435 116 L N -0.181 121.025 121.223 -0.028 0.000 2.046 116 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 116 L C 2.491 179.357 176.870 -0.006 0.000 1.077 116 L CA 2.103 56.936 54.840 -0.011 0.000 0.747 116 L CB -1.072 40.985 42.059 -0.004 0.000 0.896 116 L HN 0.284 nan 8.230 nan 0.000 0.432 117 A N -0.919 121.897 122.820 -0.007 0.000 1.898 117 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 117 A C 2.228 179.825 177.584 0.021 0.000 1.181 117 A CA 1.542 53.592 52.037 0.022 0.000 0.620 117 A CB -0.678 18.356 19.000 0.056 0.000 0.819 117 A HN 0.532 nan 8.150 nan 0.000 0.442 118 E N 0.399 120.610 120.200 0.018 0.000 2.058 118 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 118 E C 1.797 178.401 176.600 0.008 0.000 0.997 118 E CA 1.663 58.072 56.400 0.015 0.000 0.801 118 E CB -0.398 29.311 29.700 0.015 0.000 0.746 118 E HN 0.594 nan 8.360 nan 0.000 0.450 119 L N -0.050 121.175 121.223 0.003 0.000 2.131 119 L HA -0.045 4.295 4.340 -0.000 0.000 0.206 119 L C 2.604 179.471 176.870 -0.005 0.000 1.087 119 L CA 1.547 56.385 54.840 -0.003 0.000 0.767 119 L CB -0.701 41.353 42.059 -0.007 0.000 0.917 119 L HN 0.330 nan 8.230 nan 0.000 0.441 120 T N -3.823 110.730 114.554 -0.002 0.000 3.014 120 T HA 0.100 4.450 4.350 -0.000 0.000 0.263 120 T C 1.617 176.319 174.700 0.002 0.000 1.078 120 T CA 0.652 62.752 62.100 -0.002 0.000 1.135 120 T CB 0.135 69.005 68.868 0.004 0.000 0.895 120 T HN 0.436 nan 8.240 nan 0.000 0.480 121 G N 1.457 110.262 108.800 0.008 0.000 2.168 121 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.263 121 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.263 121 G C 0.011 174.920 174.900 0.014 0.000 0.977 121 G CA 0.377 45.483 45.100 0.010 0.000 0.659 121 G HN 0.687 nan 8.290 nan 0.000 0.533 122 I N 0.741 121.323 120.570 0.019 0.000 2.493 122 I HA 0.326 4.496 4.170 -0.000 0.000 0.298 122 I C -0.274 175.869 176.117 0.043 0.000 0.998 122 I CA -1.219 60.097 61.300 0.027 0.000 1.137 122 I CB 1.329 39.345 38.000 0.027 0.000 1.310 122 I HN -0.155 nan 8.210 nan 0.000 0.445 123 D N 4.359 124.791 120.400 0.053 0.000 2.525 123 D HA 0.119 4.759 4.640 -0.000 0.000 0.235 123 D C -0.465 175.884 176.300 0.081 0.000 1.137 123 D CA 0.453 54.495 54.000 0.071 0.000 0.868 123 D CB 0.896 41.743 40.800 0.079 0.000 1.180 123 D HN 0.016 nan 8.370 nan 0.000 0.465 124 V N 2.872 122.835 119.914 0.083 0.000 2.448 124 V HA 0.285 4.405 4.120 -0.000 0.000 0.295 124 V C 0.054 176.169 176.094 0.034 0.000 1.025 124 V CA -0.847 61.491 62.300 0.063 0.000 0.859 124 V CB 2.018 33.845 31.823 0.006 0.000 0.988 124 V HN 0.231 nan 8.190 nan 0.000 0.431 125 V N 4.268 124.177 119.914 -0.007 0.000 2.370 125 V HA 0.921 5.041 4.120 -0.000 0.000 0.283 125 V C 0.368 176.292 176.094 -0.284 0.000 1.023 125 V CA -0.025 62.141 62.300 -0.224 0.000 0.857 125 V CB 1.075 32.780 31.823 -0.197 0.000 0.985 125 V HN 1.077 nan 8.190 nan 0.000 0.443 126 A N 3.061 125.558 122.820 -0.539 0.000 2.524 126 A HA 0.774 5.094 4.320 -0.000 0.000 0.289 126 A C -0.154 177.037 177.584 -0.655 0.000 1.248 126 A CA -0.317 51.402 52.037 -0.530 0.000 0.712 126 A CB 0.991 19.823 19.000 -0.279 0.000 1.312 126 A HN 0.813 nan 8.150 nan 0.000 0.441 127 D N -1.610 118.575 120.400 -0.358 0.000 2.746 127 D HA -0.155 4.485 4.640 -0.000 0.000 0.241 127 D C -0.058 176.152 176.300 -0.149 0.000 1.140 127 D CA 1.054 54.936 54.000 -0.198 0.000 0.707 127 D CB -1.525 39.204 40.800 -0.118 0.000 1.034 127 D HN 0.450 nan 8.370 nan 0.000 0.423 128 F N -0.196 119.811 119.950 0.095 0.000 2.367 128 F HA 0.084 4.611 4.527 -0.000 0.000 0.298 128 F C 2.440 178.340 175.800 0.168 0.000 1.094 128 F CA 0.582 58.688 58.000 0.177 0.000 1.409 128 F CB -0.023 39.171 39.000 0.323 0.000 1.064 128 F HN 0.094 nan 8.300 nan 0.000 0.528 129 R N -0.096 120.590 120.500 0.310 0.000 2.161 129 R HA 0.038 4.378 4.340 -0.000 0.000 0.213 129 R C 2.105 178.515 176.300 0.184 0.000 1.055 129 R CA 0.432 56.684 56.100 0.252 0.000 0.996 129 R CB -0.221 30.225 30.300 0.243 0.000 0.901 129 R HN 0.257 nan 8.270 nan 0.000 0.456 130 R N 0.451 121.035 120.500 0.140 0.000 2.075 130 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 130 R C 2.251 178.615 176.300 0.107 0.000 1.126 130 R CA 1.168 57.336 56.100 0.113 0.000 0.963 130 R CB -0.188 30.157 30.300 0.076 0.000 0.858 130 R HN -0.045 nan 8.270 nan 0.000 0.435 131 R N 1.343 121.907 120.500 0.107 0.000 2.096 131 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 131 R C 1.473 177.834 176.300 0.101 0.000 1.127 131 R CA 1.941 58.099 56.100 0.096 0.000 0.968 131 R CB -0.558 29.801 30.300 0.099 0.000 0.861 131 R HN 0.188 nan 8.270 nan 0.000 0.440 132 D N -1.233 119.241 120.400 0.123 0.000 2.117 132 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 132 D C 1.674 178.040 176.300 0.111 0.000 0.982 132 D CA 1.362 55.432 54.000 0.117 0.000 0.828 132 D CB 0.207 41.089 40.800 0.136 0.000 0.967 132 D HN 0.086 nan 8.370 nan 0.000 0.464 133 V N 0.828 120.815 119.914 0.121 0.000 2.343 133 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 133 V C 2.550 178.714 176.094 0.116 0.000 1.051 133 V CA 1.743 64.114 62.300 0.118 0.000 1.036 133 V CB -0.964 30.931 31.823 0.121 0.000 0.654 133 V HN 0.341 nan 8.190 nan 0.000 0.451 134 A N -0.014 122.865 122.820 0.099 0.000 1.972 134 A HA -0.034 4.285 4.320 -0.000 0.000 0.219 134 A C 2.141 179.760 177.584 0.058 0.000 1.169 134 A CA 1.798 53.879 52.037 0.073 0.000 0.635 134 A CB -0.526 18.510 19.000 0.060 0.000 0.810 134 A HN 0.627 nan 8.150 nan 0.000 0.446 135 A N -1.918 120.942 122.820 0.066 0.000 2.302 135 A HA 0.445 4.765 4.320 -0.000 0.000 0.219 135 A C 1.608 179.229 177.584 0.062 0.000 1.243 135 A CA 1.040 53.110 52.037 0.055 0.000 0.856 135 A CB -0.925 18.108 19.000 0.056 0.000 0.893 135 A HN 1.830 nan 8.150 nan 0.000 0.491 136 G N -1.992 106.858 108.800 0.083 0.000 2.176 136 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.232 136 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.232 136 G C 0.717 175.674 174.900 0.095 0.000 0.986 136 G CA 0.189 45.350 45.100 0.101 0.000 0.643 136 G HN 1.337 nan 8.290 nan 0.000 0.522 137 G N -1.194 107.659 108.800 0.090 0.000 2.557 137 G HA2 0.500 4.460 3.960 -0.000 0.000 0.292 137 G HA3 0.500 4.460 3.960 -0.000 0.000 0.292 137 G C 0.799 175.746 174.900 0.080 0.000 1.237 137 G CA 0.204 45.354 45.100 0.084 0.000 0.978 137 G HN 0.102 nan 8.290 nan 0.000 0.498 138 Q N -0.418 119.435 119.800 0.089 0.000 2.297 138 Q HA 0.033 4.373 4.340 -0.000 0.000 0.204 138 Q C 2.106 178.218 176.000 0.187 0.000 0.962 138 Q CA 1.074 56.939 55.803 0.104 0.000 0.879 138 Q CB 0.096 28.915 28.738 0.135 0.000 0.947 138 Q HN 1.152 nan 8.270 nan 0.000 0.462 139 G N 0.521 109.428 108.800 0.178 0.000 2.189 139 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 139 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 139 G C 0.245 175.263 174.900 0.197 0.000 0.975 139 G CA 0.641 45.870 45.100 0.215 0.000 0.644 139 G HN 0.729 nan 8.290 nan 0.000 0.537 140 A N -0.485 122.436 122.820 0.168 0.000 2.604 140 A HA 0.848 5.168 4.320 -0.000 0.000 0.295 140 A C -2.927 174.722 177.584 0.109 0.000 1.067 140 A CA -0.738 51.354 52.037 0.091 0.000 0.683 140 A CB 2.005 20.979 19.000 -0.042 0.000 1.281 140 A HN 0.209 nan 8.150 nan 0.000 0.407 141 P HA 0.387 nan 4.420 nan 0.000 0.276 141 P C 0.052 177.360 177.300 0.013 0.000 1.244 141 P CA -0.229 62.889 63.100 0.030 0.000 0.801 141 P CB 1.059 32.765 31.700 0.009 0.000 1.006 142 L N 1.481 122.689 121.223 -0.024 0.000 2.638 142 L HA 0.009 4.349 4.340 -0.000 0.000 0.232 142 L C 2.219 178.975 176.870 -0.191 0.000 1.099 142 L CA 0.292 55.093 54.840 -0.065 0.000 0.883 142 L CB -0.038 42.002 42.059 -0.031 0.000 1.136 142 L HN 0.167 nan 8.230 nan 0.000 0.492 143 V N -2.882 116.871 119.914 -0.268 0.000 2.594 143 V HA -0.048 4.072 4.120 -0.000 0.000 0.253 143 V C -0.415 175.400 176.094 -0.465 0.000 1.069 143 V CA 0.677 62.716 62.300 -0.436 0.000 1.082 143 V CB -1.993 29.458 31.823 -0.619 0.000 0.680 143 V HN 0.221 nan 8.190 nan 0.000 0.469 144 P HA -0.248 nan 4.420 nan 0.000 0.217 144 P C 2.023 179.274 177.300 -0.082 0.000 1.162 144 P CA 2.957 65.980 63.100 -0.129 0.000 0.901 144 P CB -0.341 31.334 31.700 -0.041 0.000 0.793 145 A N -1.792 121.016 122.820 -0.020 0.000 1.978 145 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 145 A C 2.116 179.585 177.584 -0.191 0.000 1.170 145 A CA 1.622 53.694 52.037 0.059 0.000 0.636 145 A CB -1.736 17.436 19.000 0.286 0.000 0.810 145 A HN 0.172 nan 8.150 nan 0.000 0.448 146 F N 0.098 119.715 119.950 -0.554 0.000 2.149 146 F HA -0.041 4.486 4.527 -0.000 0.000 0.294 146 F C 2.205 177.665 175.800 -0.567 0.000 1.095 146 F CA 1.720 59.105 58.000 -1.026 0.000 1.276 146 F CB -0.796 37.723 39.000 -0.801 0.000 1.023 146 F HN 0.435 nan 8.300 nan 0.000 0.480 147 H N -1.201 117.600 119.070 -0.449 0.000 2.390 147 H HA -0.241 4.315 4.556 -0.000 0.000 0.298 147 H C 2.084 177.216 175.328 -0.327 0.000 1.106 147 H CA 1.228 57.061 56.048 -0.359 0.000 1.297 147 H CB -0.028 29.663 29.762 -0.118 0.000 1.375 147 H HN 0.297 nan 8.280 nan 0.000 0.509 148 Q N 1.163 120.873 119.800 -0.149 0.000 2.083 148 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 148 Q C 2.379 178.247 176.000 -0.219 0.000 0.969 148 Q CA 1.476 57.205 55.803 -0.123 0.000 0.838 148 Q CB -0.304 28.404 28.738 -0.050 0.000 0.900 148 Q HN 0.403 nan 8.270 nan 0.000 0.436 149 A N 0.176 122.776 122.820 -0.366 0.000 1.972 149 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 149 A C 2.038 179.331 177.584 -0.486 0.000 1.169 149 A CA 1.451 53.263 52.037 -0.376 0.000 0.635 149 A CB -0.550 18.145 19.000 -0.509 0.000 0.810 149 A HN 0.460 nan 8.150 nan 0.000 0.446 150 L N -3.155 117.608 121.223 -0.766 0.000 2.168 150 L HA 0.111 4.451 4.340 -0.000 0.000 0.203 150 L C 1.262 177.619 176.870 -0.855 0.000 1.078 150 L CA 0.793 55.026 54.840 -1.012 0.000 0.780 150 L CB -0.039 41.008 42.059 -1.687 0.000 0.939 150 L HN 0.387 nan 8.230 nan 0.000 0.451 151 F N -0.653 119.142 119.950 -0.258 0.000 2.781 151 F HA 0.349 4.876 4.527 -0.000 0.000 0.322 151 F C 1.430 177.141 175.800 -0.149 0.000 1.108 151 F CA -0.872 57.004 58.000 -0.207 0.000 1.179 151 F CB -0.557 38.270 39.000 -0.287 0.000 1.072 151 F HN -0.157 nan 8.300 nan 0.000 0.545 158 R N 1.095 121.555 120.500 -0.068 0.000 2.698 158 R HA 0.891 5.231 4.340 -0.000 0.000 0.275 158 R C -1.113 175.109 176.300 -0.130 0.000 1.001 158 R CA -1.119 54.913 56.100 -0.114 0.000 0.896 158 R CB 1.769 31.974 30.300 -0.158 0.000 1.218 158 R HN 1.040 nan 8.270 nan 0.000 0.462 159 A N 2.221 124.944 122.820 -0.161 0.000 2.318 159 A HA 0.577 4.897 4.320 -0.000 0.000 0.324 159 A C -0.670 176.762 177.584 -0.253 0.000 1.170 159 A CA -0.818 51.117 52.037 -0.171 0.000 0.810 159 A CB 1.686 20.604 19.000 -0.138 0.000 1.198 159 A HN 0.431 nan 8.150 nan 0.000 0.484 160 V N 3.539 123.294 119.914 -0.264 0.000 2.328 160 V HA 0.388 4.508 4.120 -0.000 0.000 0.278 160 V C -0.519 175.399 176.094 -0.294 0.000 1.021 160 V CA -0.327 61.730 62.300 -0.406 0.000 0.838 160 V CB 0.834 32.292 31.823 -0.608 0.000 0.999 160 V HN 0.767 nan 8.190 nan 0.000 0.447 161 L N 5.536 126.603 121.223 -0.260 0.000 2.305 161 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 161 L C -0.007 176.798 176.870 -0.108 0.000 1.013 161 L CA 0.125 54.875 54.840 -0.150 0.000 0.819 161 L CB 1.332 43.310 42.059 -0.136 0.000 1.227 161 L HN 0.686 nan 8.230 nan 0.000 0.417 162 N N 6.274 124.962 118.700 -0.020 0.000 2.419 162 N HA 0.300 5.040 4.740 -0.000 0.000 0.264 162 N C -1.154 174.352 175.510 -0.006 0.000 1.031 162 N CA -0.394 52.660 53.050 0.007 0.000 0.951 162 N CB 0.833 39.366 38.487 0.077 0.000 1.101 162 N HN 0.709 nan 8.380 nan 0.000 0.488 163 I N 3.443 123.993 120.570 -0.034 0.000 2.388 163 I HA 0.314 4.484 4.170 -0.000 0.000 0.281 163 I C 0.969 177.065 176.117 -0.035 0.000 1.046 163 I CA -0.609 60.672 61.300 -0.033 0.000 1.187 163 I CB 1.261 39.229 38.000 -0.053 0.000 1.351 163 I HN 0.517 nan 8.210 nan 0.000 0.472 164 G N 3.023 111.815 108.800 -0.014 0.000 2.940 164 G HA2 0.413 4.373 3.960 -0.000 0.000 0.164 164 G HA3 0.413 4.373 3.960 -0.000 0.000 0.164 164 G C 1.034 175.900 174.900 -0.058 0.000 1.326 164 G CA 0.142 45.228 45.100 -0.024 0.000 1.020 164 G HN 0.524 nan 8.290 nan 0.000 0.586 165 G N -0.702 108.059 108.800 -0.065 0.000 2.440 165 G HA2 0.026 3.986 3.960 -0.000 0.000 0.218 165 G HA3 0.026 3.986 3.960 -0.000 0.000 0.218 165 G C 0.201 174.821 174.900 -0.467 0.000 1.154 165 G CA 0.483 45.456 45.100 -0.213 0.000 0.767 165 G HN 0.214 nan 8.290 nan 0.000 0.552 166 F N -0.095 119.846 119.950 -0.015 0.000 2.492 166 F HA 0.605 5.132 4.527 -0.000 0.000 0.327 166 F C 0.315 176.108 175.800 -0.011 0.000 1.079 166 F CA -0.856 57.130 58.000 -0.024 0.000 0.967 166 F CB 2.252 41.238 39.000 -0.023 0.000 1.169 166 F HN -0.212 nan 8.300 nan 0.000 0.472 167 S N 2.621 118.428 115.700 0.179 0.000 2.554 167 S HA 0.509 4.979 4.470 -0.000 0.000 0.278 167 S C -0.724 173.964 174.600 0.146 0.000 1.242 167 S CA -0.824 57.446 58.200 0.117 0.000 1.051 167 S CB 0.620 63.872 63.200 0.085 0.000 0.986 167 S HN 0.679 nan 8.310 nan 0.000 0.502 168 N N 0.353 119.103 118.700 0.084 0.000 2.396 168 N HA 0.529 5.269 4.740 -0.000 0.000 0.275 168 N C -1.872 173.616 175.510 -0.037 0.000 1.218 168 N CA -0.607 52.471 53.050 0.047 0.000 0.812 168 N CB 1.755 40.277 38.487 0.059 0.000 1.592 168 N HN 0.406 nan 8.380 nan 0.000 0.480 169 V N 0.081 119.886 119.914 -0.181 0.000 2.823 169 V HA 0.617 4.737 4.120 -0.000 0.000 0.312 169 V C -0.912 175.035 176.094 -0.245 0.000 1.072 169 V CA -0.360 61.799 62.300 -0.235 0.000 0.937 169 V CB 2.070 33.702 31.823 -0.318 0.000 1.013 169 V HN 0.856 nan 8.190 nan 0.000 0.430 170 S N 6.870 122.507 115.700 -0.105 0.000 2.530 170 S HA 0.635 5.105 4.470 -0.000 0.000 0.322 170 S C -0.736 173.810 174.600 -0.090 0.000 1.085 170 S CA -0.395 57.776 58.200 -0.048 0.000 1.096 170 S CB 1.016 64.317 63.200 0.168 0.000 0.988 170 S HN 0.573 nan 8.310 nan 0.000 0.466 171 L N 4.120 125.287 121.223 -0.094 0.000 2.264 171 L HA 0.450 4.790 4.340 -0.000 0.000 0.287 171 L C -0.570 176.280 176.870 -0.033 0.000 1.039 171 L CA -0.306 54.492 54.840 -0.069 0.000 0.829 171 L CB 0.312 42.342 42.059 -0.049 0.000 1.211 171 L HN 0.472 nan 8.230 nan 0.000 0.427 172 L N 3.021 124.220 121.223 -0.039 0.000 2.353 172 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 172 L C -0.043 176.815 176.870 -0.019 0.000 1.085 172 L CA -0.067 54.759 54.840 -0.023 0.000 0.938 172 L CB 0.397 42.440 42.059 -0.026 0.000 1.312 172 L HN 0.533 nan 8.230 nan 0.000 0.429 173 S N 2.801 118.497 115.700 -0.007 0.000 2.457 173 S HA 0.435 4.905 4.470 -0.000 0.000 0.289 173 S C -2.203 172.399 174.600 0.002 0.000 1.163 173 S CA -1.159 57.039 58.200 -0.003 0.000 1.078 173 S CB 1.192 64.394 63.200 0.004 0.000 0.987 173 S HN 0.298 nan 8.310 nan 0.000 0.482 174 P HA 0.195 nan 4.420 nan 0.000 0.266 174 P C 1.058 178.363 177.300 0.007 0.000 1.195 174 P CA 0.651 63.754 63.100 0.004 0.000 0.768 174 P CB 0.241 31.943 31.700 0.003 0.000 0.838 175 G N 0.023 108.828 108.800 0.009 0.000 2.228 175 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.270 175 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.270 175 G C 0.358 175.266 174.900 0.013 0.000 0.976 175 G CA 0.801 45.908 45.100 0.011 0.000 0.636 175 G HN 0.911 nan 8.290 nan 0.000 0.542 176 K N 0.187 120.596 120.400 0.014 0.000 2.267 176 K HA 0.845 5.165 4.320 -0.000 0.000 0.246 176 K C -2.197 174.415 176.600 0.020 0.000 0.954 176 K CA -1.225 55.072 56.287 0.017 0.000 0.824 176 K CB 0.646 33.157 32.500 0.017 0.000 1.167 176 K HN 0.144 nan 8.250 nan 0.000 0.431 177 P HA 0.114 nan 4.420 nan 0.000 0.267 177 P C -0.389 176.929 177.300 0.030 0.000 1.200 177 P CA -0.564 62.553 63.100 0.029 0.000 0.772 177 P CB 0.518 32.238 31.700 0.032 0.000 0.855 178 V N 4.307 124.239 119.914 0.030 0.000 2.599 178 V HA 0.061 4.181 4.120 -0.000 0.000 0.300 178 V C 1.059 177.174 176.094 0.035 0.000 1.034 178 V CA 0.591 62.907 62.300 0.026 0.000 1.115 178 V CB -0.305 31.534 31.823 0.026 0.000 0.934 178 V HN 0.518 nan 8.190 nan 0.000 0.485 179 R N 1.997 122.514 120.500 0.030 0.000 2.939 179 R HA 0.897 5.237 4.340 -0.000 0.000 0.254 179 R C 0.012 176.313 176.300 0.002 0.000 1.123 179 R CA -0.311 55.821 56.100 0.053 0.000 1.020 179 R CB 2.229 32.582 30.300 0.089 0.000 1.206 179 R HN 1.006 nan 8.270 nan 0.000 0.491 180 G N 0.132 108.949 108.800 0.028 0.000 2.339 180 G HA2 0.373 4.333 3.960 -0.000 0.000 0.302 180 G HA3 0.373 4.333 3.960 -0.000 0.000 0.302 180 G C -1.720 173.180 174.900 0.001 0.000 1.425 180 G CA -0.861 44.109 45.100 -0.216 0.000 0.899 180 G HN 0.527 nan 8.290 nan 0.000 0.619 181 F N -2.152 117.834 119.950 0.060 0.000 2.944 181 F HA 0.629 5.156 4.527 -0.000 0.000 0.324 181 F C -1.394 174.476 175.800 0.117 0.000 1.151 181 F CA -1.505 56.543 58.000 0.079 0.000 0.883 181 F CB 0.330 39.362 39.000 0.053 0.000 1.341 181 F HN 0.414 nan 8.300 nan 0.000 0.456 182 D N 0.342 121.004 120.400 0.437 0.000 2.345 182 D HA 0.329 4.969 4.640 -0.000 0.000 0.247 182 D C 0.347 177.031 176.300 0.640 0.000 1.108 182 D CA -0.375 53.875 54.000 0.417 0.000 0.894 182 D CB 1.594 42.607 40.800 0.354 0.000 1.203 182 D HN 0.750 nan 8.370 nan 0.000 0.430 183 C N 1.359 120.959 119.300 0.499 0.000 2.590 183 C HA 0.533 4.993 4.460 -0.000 0.000 0.272 183 C C 1.315 176.699 174.990 0.657 0.000 1.338 183 C CA 0.383 59.724 59.018 0.538 0.000 1.746 183 C CB -0.968 26.975 27.740 0.338 0.000 2.020 183 C HN 0.870 nan 8.230 nan 0.000 0.531 184 G N 0.837 109.929 108.800 0.487 0.000 2.278 184 G HA2 0.129 4.089 3.960 -0.000 0.000 0.265 184 G HA3 0.129 4.089 3.960 -0.000 0.000 0.265 184 G C -3.214 171.707 174.900 0.035 0.000 1.329 184 G CA -0.763 44.448 45.100 0.185 0.000 1.017 184 G HN -0.069 nan 8.290 nan 0.000 0.472 185 P HA 0.342 nan 4.420 nan 0.000 0.271 185 P C 0.713 177.899 177.300 -0.190 0.000 1.216 185 P CA 1.004 63.898 63.100 -0.344 0.000 0.771 185 P CB 1.296 32.710 31.700 -0.477 0.000 0.864 186 G N 3.194 111.867 108.800 -0.212 0.000 2.548 186 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.221 186 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.221 186 G C 0.871 175.700 174.900 -0.118 0.000 1.796 186 G CA 0.033 45.063 45.100 -0.116 0.000 0.889 186 G HN 0.474 nan 8.290 nan 0.000 0.599 187 N N -0.376 118.250 118.700 -0.124 0.000 2.325 187 N HA 0.104 4.844 4.740 -0.000 0.000 0.182 187 N C 1.852 177.315 175.510 -0.078 0.000 1.088 187 N CA 0.023 53.035 53.050 -0.063 0.000 0.879 187 N CB 0.926 39.395 38.487 -0.029 0.000 0.983 187 N HN 0.135 nan 8.380 nan 0.000 0.471 188 V N 1.207 120.985 119.914 -0.226 0.000 2.282 188 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 188 V C 1.723 177.789 176.094 -0.047 0.000 1.057 188 V CA 1.757 63.921 62.300 -0.227 0.000 1.032 188 V CB -0.219 31.251 31.823 -0.588 0.000 0.645 188 V HN 0.309 nan 8.190 nan 0.000 0.447 189 L N -1.418 119.790 121.223 -0.026 0.000 2.095 189 L HA -0.120 4.220 4.340 -0.000 0.000 0.204 189 L C 2.591 179.581 176.870 0.200 0.000 1.080 189 L CA 1.699 56.608 54.840 0.114 0.000 0.759 189 L CB -0.474 41.656 42.059 0.118 0.000 0.914 189 L HN 0.296 nan 8.230 nan 0.000 0.439 190 M N -0.304 119.390 119.600 0.157 0.000 2.149 190 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 190 M C 1.717 178.197 176.300 0.301 0.000 1.064 190 M CA 1.567 57.010 55.300 0.238 0.000 1.102 190 M CB -0.568 32.134 32.600 0.170 0.000 1.369 190 M HN 0.209 nan 8.290 nan 0.000 0.408 191 D N 0.691 121.226 120.400 0.226 0.000 2.097 191 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 191 D C 2.036 178.497 176.300 0.269 0.000 0.989 191 D CA 1.700 55.842 54.000 0.236 0.000 0.827 191 D CB -0.258 40.644 40.800 0.169 0.000 0.966 191 D HN 0.324 nan 8.370 nan 0.000 0.456 192 A N 0.508 123.487 122.820 0.265 0.000 1.933 192 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 192 A C 2.163 179.992 177.584 0.408 0.000 1.175 192 A CA 1.061 53.281 52.037 0.306 0.000 0.628 192 A CB -1.106 18.053 19.000 0.266 0.000 0.814 192 A HN 0.447 nan 8.150 nan 0.000 0.444 193 W N -0.037 121.407 121.300 0.241 0.000 2.379 193 W HA -0.116 4.544 4.660 -0.000 0.000 0.307 193 W C 1.901 178.637 176.519 0.361 0.000 1.200 193 W CA 1.481 59.005 57.345 0.299 0.000 1.297 193 W CB -0.113 29.508 29.460 0.268 0.000 1.140 193 W HN 0.353 nan 8.180 nan 0.000 0.507 194 I N 0.226 121.013 120.570 0.362 0.000 2.546 194 I HA -0.313 3.857 4.170 -0.000 0.000 0.255 194 I C 2.440 178.507 176.117 -0.084 0.000 1.163 194 I CA 1.708 63.055 61.300 0.079 0.000 1.457 194 I CB -0.427 37.663 38.000 0.150 0.000 1.092 194 I HN -0.055 nan 8.210 nan 0.000 0.434 195 H N -0.632 118.416 119.070 -0.035 0.000 2.395 195 H HA -0.238 4.317 4.556 -0.000 0.000 0.299 195 H C 2.144 177.413 175.328 -0.097 0.000 1.070 195 H CA 2.260 58.255 56.048 -0.089 0.000 1.356 195 H CB -0.113 29.645 29.762 -0.006 0.000 1.401 195 H HN 0.484 nan 8.280 nan 0.000 0.524 196 H N -0.544 118.426 119.070 -0.166 0.000 2.363 196 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 196 H C 1.927 177.035 175.328 -0.368 0.000 1.074 196 H CA 1.783 57.680 56.048 -0.251 0.000 1.354 196 H CB 0.293 29.960 29.762 -0.159 0.000 1.397 196 H HN 0.277 nan 8.280 nan 0.000 0.516 197 Q N 0.071 119.527 119.800 -0.574 0.000 2.134 197 Q HA 0.096 4.435 4.340 -0.000 0.000 0.195 197 Q C 1.779 177.478 176.000 -0.501 0.000 0.958 197 Q CA 1.084 56.523 55.803 -0.606 0.000 0.840 197 Q CB 0.322 28.740 28.738 -0.534 0.000 0.918 197 Q HN 0.518 nan 8.270 nan 0.000 0.467 198 R N -1.242 118.948 120.500 -0.517 0.000 2.476 198 R HA 0.226 4.566 4.340 -0.000 0.000 0.276 198 R C 0.871 176.933 176.300 -0.397 0.000 0.941 198 R CA 0.510 56.318 56.100 -0.485 0.000 1.088 198 R CB 1.051 30.955 30.300 -0.661 0.000 1.216 198 R HN 0.355 nan 8.270 nan 0.000 0.533 199 G N 1.561 110.112 108.800 -0.416 0.000 2.179 199 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 199 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 199 G C -0.090 174.632 174.900 -0.297 0.000 0.977 199 G CA 0.152 44.996 45.100 -0.426 0.000 0.641 199 G HN 0.371 nan 8.290 nan 0.000 0.533 200 E N -0.925 119.130 120.200 -0.242 0.000 2.277 200 E HA 0.539 4.889 4.350 -0.000 0.000 0.274 200 E C 0.936 177.501 176.600 -0.059 0.000 1.022 200 E CA -0.665 55.616 56.400 -0.199 0.000 0.853 200 E CB 0.627 30.164 29.700 -0.272 0.000 1.086 200 E HN 0.505 nan 8.360 nan 0.000 0.397 201 H N 1.341 120.445 119.070 0.056 0.000 2.428 201 H HA -0.004 4.552 4.556 -0.000 0.000 0.296 201 H C 0.044 175.516 175.328 0.241 0.000 1.062 201 H CA 1.293 57.418 56.048 0.129 0.000 1.350 201 H CB 0.081 29.955 29.762 0.187 0.000 1.403 201 H HN 0.397 nan 8.280 nan 0.000 0.533 202 F N -2.492 117.544 119.950 0.143 0.000 2.685 202 F HA 0.341 4.868 4.527 -0.000 0.000 0.315 202 F C -1.427 174.432 175.800 0.099 0.000 1.126 202 F CA -1.723 56.343 58.000 0.110 0.000 0.950 202 F CB 1.281 40.330 39.000 0.081 0.000 1.360 202 F HN -0.348 nan 8.300 nan 0.000 0.469 203 D N 1.865 122.420 120.400 0.257 0.000 2.479 203 D HA 0.277 4.917 4.640 -0.000 0.000 0.218 203 D C 0.202 176.637 176.300 0.224 0.000 1.131 203 D CA -0.035 54.075 54.000 0.184 0.000 0.916 203 D CB 0.768 41.741 40.800 0.288 0.000 1.022 203 D HN 1.020 nan 8.370 nan 0.000 0.515 204 R N 3.003 123.552 120.500 0.083 0.000 2.488 204 R HA 0.061 4.401 4.340 -0.000 0.000 0.317 204 R C 0.787 177.188 176.300 0.168 0.000 0.941 204 R CA 0.644 56.848 56.100 0.173 0.000 1.076 204 R CB -0.931 29.383 30.300 0.024 0.000 0.917 204 R HN 0.696 nan 8.270 nan 0.000 0.407 205 D N 1.359 121.877 120.400 0.196 0.000 3.059 205 D HA -0.210 4.430 4.640 -0.000 0.000 0.213 205 D C 1.034 177.411 176.300 0.129 0.000 1.144 205 D CA 2.372 56.459 54.000 0.145 0.000 0.975 205 D CB -1.150 39.717 40.800 0.111 0.000 1.125 205 D HN 1.916 nan 8.370 nan 0.000 0.412 206 G N -0.373 108.518 108.800 0.152 0.000 2.176 206 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 206 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 206 G C 1.174 176.155 174.900 0.133 0.000 1.024 206 G CA 1.148 46.331 45.100 0.138 0.000 0.755 206 G HN 0.891 nan 8.290 nan 0.000 0.507 207 A N -0.844 122.066 122.820 0.149 0.000 1.898 207 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 207 A C 2.001 179.707 177.584 0.205 0.000 1.181 207 A CA 2.015 54.137 52.037 0.142 0.000 0.620 207 A CB -0.553 18.517 19.000 0.117 0.000 0.819 207 A HN 1.092 nan 8.150 nan 0.000 0.442 208 W N 0.827 122.149 121.300 0.036 0.000 2.358 208 W HA -0.106 4.553 4.660 -0.000 0.000 0.303 208 W C 2.478 179.033 176.519 0.060 0.000 1.208 208 W CA 1.539 58.909 57.345 0.042 0.000 1.274 208 W CB -0.457 29.030 29.460 0.044 0.000 1.138 208 W HN 0.366 nan 8.180 nan 0.000 0.515 209 A N 0.304 123.179 122.820 0.091 0.000 1.902 209 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 209 A C 2.107 179.662 177.584 -0.048 0.000 1.181 209 A CA 2.441 54.448 52.037 -0.050 0.000 0.623 209 A CB -1.389 17.623 19.000 0.021 0.000 0.818 209 A HN 0.315 nan 8.150 nan 0.000 0.443 210 A N 0.030 122.859 122.820 0.015 0.000 2.119 210 A HA 0.036 4.355 4.320 -0.000 0.000 0.217 210 A C 2.294 179.880 177.584 0.003 0.000 1.153 210 A CA 1.800 53.844 52.037 0.012 0.000 0.692 210 A CB -0.664 18.358 19.000 0.036 0.000 0.799 210 A HN 0.968 nan 8.150 nan 0.000 0.458 211 S N -1.066 114.637 115.700 0.004 0.000 2.562 211 S HA 0.349 4.819 4.470 -0.000 0.000 0.221 211 S C 1.015 175.586 174.600 -0.048 0.000 0.975 211 S CA 0.419 58.624 58.200 0.008 0.000 0.918 211 S CB -0.268 62.981 63.200 0.082 0.000 0.772 211 S HN 0.622 nan 8.310 nan 0.000 0.531 212 G N 0.206 108.938 108.800 -0.112 0.000 2.601 212 G HA2 0.606 4.566 3.960 -0.000 0.000 0.317 212 G HA3 0.606 4.566 3.960 -0.000 0.000 0.317 212 G C -1.257 173.590 174.900 -0.088 0.000 1.246 212 G CA -0.731 44.290 45.100 -0.131 0.000 1.012 212 G HN 0.207 nan 8.290 nan 0.000 0.494 213 Q N 0.069 119.821 119.800 -0.080 0.000 2.322 213 Q HA 0.349 4.689 4.340 -0.000 0.000 0.265 213 Q C -0.148 175.813 176.000 -0.066 0.000 0.985 213 Q CA -0.712 55.057 55.803 -0.057 0.000 0.849 213 Q CB 2.085 30.800 28.738 -0.037 0.000 1.274 213 Q HN 0.266 nan 8.270 nan 0.000 0.449 214 V N 3.362 123.243 119.914 -0.056 0.000 2.557 214 V HA -0.081 4.039 4.120 -0.000 0.000 0.301 214 V C 0.841 176.913 176.094 -0.036 0.000 1.026 214 V CA 0.191 62.457 62.300 -0.056 0.000 1.137 214 V CB 0.015 31.813 31.823 -0.041 0.000 0.917 214 V HN 0.644 nan 8.190 nan 0.000 0.484 215 N N 3.288 121.957 118.700 -0.051 0.000 2.439 215 N HA 0.089 4.829 4.740 -0.000 0.000 0.249 215 N C 0.985 176.486 175.510 -0.016 0.000 1.003 215 N CA -0.297 52.737 53.050 -0.027 0.000 0.942 215 N CB 0.762 39.216 38.487 -0.054 0.000 1.115 215 N HN 0.847 nan 8.380 nan 0.000 0.505 216 H N 4.316 123.355 119.070 -0.051 0.000 2.352 216 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 216 H C 1.633 176.936 175.328 -0.042 0.000 1.097 216 H CA 2.525 58.546 56.048 -0.045 0.000 1.311 216 H CB 0.366 30.108 29.762 -0.035 0.000 1.377 216 H HN 0.660 nan 8.280 nan 0.000 0.504 217 A N 0.690 123.478 122.820 -0.055 0.000 1.858 217 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 217 A C 2.424 179.921 177.584 -0.145 0.000 1.190 217 A CA 1.565 53.547 52.037 -0.091 0.000 0.617 217 A CB -1.020 17.993 19.000 0.021 0.000 0.827 217 A HN 0.488 nan 8.150 nan 0.000 0.443 218 L N -0.740 120.412 121.223 -0.119 0.000 2.046 218 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 218 L C 2.280 179.046 176.870 -0.172 0.000 1.077 218 L CA 2.040 56.799 54.840 -0.136 0.000 0.747 218 L CB -0.630 41.344 42.059 -0.142 0.000 0.896 218 L HN 0.374 nan 8.230 nan 0.000 0.432 219 L N -0.069 121.042 121.223 -0.187 0.000 2.013 219 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 219 L C 2.512 179.264 176.870 -0.197 0.000 1.073 219 L CA 2.263 56.990 54.840 -0.188 0.000 0.753 219 L CB -1.153 40.802 42.059 -0.174 0.000 0.890 219 L HN 0.302 nan 8.230 nan 0.000 0.432 220 A N -0.969 121.687 122.820 -0.273 0.000 1.902 220 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 220 A C 2.462 179.991 177.584 -0.092 0.000 1.181 220 A CA 2.205 54.112 52.037 -0.218 0.000 0.623 220 A CB -1.170 17.633 19.000 -0.328 0.000 0.818 220 A HN 0.682 nan 8.150 nan 0.000 0.443 221 S N -0.180 115.473 115.700 -0.079 0.000 2.402 221 S HA -0.028 4.442 4.470 -0.000 0.000 0.229 221 S C 1.815 176.424 174.600 0.014 0.000 1.021 221 S CA 1.343 59.554 58.200 0.018 0.000 0.974 221 S CB -0.598 62.635 63.200 0.055 0.000 0.800 221 S HN 0.440 nan 8.310 nan 0.000 0.484 222 L N 0.355 121.506 121.223 -0.120 0.000 2.131 222 L HA 0.174 4.514 4.340 -0.000 0.000 0.206 222 L C 2.360 179.392 176.870 0.270 0.000 1.087 222 L CA 0.771 55.550 54.840 -0.102 0.000 0.767 222 L CB -0.460 41.516 42.059 -0.139 0.000 0.917 222 L HN 0.282 nan 8.230 nan 0.000 0.441 223 L N -0.211 121.054 121.223 0.072 0.000 2.465 223 L HA -0.048 4.292 4.340 -0.000 0.000 0.224 223 L C 2.466 179.502 176.870 0.277 0.000 1.145 223 L CA 0.360 55.222 54.840 0.038 0.000 0.834 223 L CB -0.437 41.536 42.059 -0.143 0.000 0.944 223 L HN 0.195 nan 8.230 nan 0.000 0.451 224 A N -1.327 121.641 122.820 0.246 0.000 2.235 224 A HA -0.104 4.216 4.320 -0.000 0.000 0.208 224 A C 0.902 178.680 177.584 0.322 0.000 1.172 224 A CA 0.100 52.278 52.037 0.235 0.000 0.786 224 A CB -0.433 18.661 19.000 0.156 0.000 0.804 224 A HN 0.307 nan 8.150 nan 0.000 0.479 225 D N 0.003 120.704 120.400 0.501 0.000 2.458 225 D HA 0.253 4.893 4.640 -0.000 0.000 0.243 225 D C 1.406 177.873 176.300 0.279 0.000 1.146 225 D CA 0.796 55.060 54.000 0.440 0.000 0.877 225 D CB 0.892 42.035 40.800 0.572 0.000 1.176 225 D HN 0.385 nan 8.370 nan 0.000 0.461 226 E N 3.941 124.243 120.200 0.171 0.000 2.219 226 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 226 E C 1.635 178.270 176.600 0.057 0.000 0.998 226 E CA 1.142 57.601 56.400 0.098 0.000 0.818 226 E CB -0.767 28.968 29.700 0.058 0.000 0.741 226 E HN 0.682 nan 8.360 nan 0.000 0.477 227 F N 0.056 119.927 119.950 -0.132 0.000 2.186 227 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 227 F C 1.816 177.538 175.800 -0.129 0.000 1.090 227 F CA 1.435 59.316 58.000 -0.199 0.000 1.307 227 F CB -0.083 38.726 39.000 -0.318 0.000 1.019 227 F HN 0.196 nan 8.300 nan 0.000 0.489 228 F N 0.328 120.378 119.950 0.166 0.000 2.407 228 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 228 F C 2.453 178.200 175.800 -0.089 0.000 1.097 228 F CA 0.768 58.791 58.000 0.039 0.000 1.422 228 F CB -1.446 37.647 39.000 0.154 0.000 1.067 228 F HN 0.069 nan 8.300 nan 0.000 0.539 229 A N -0.018 122.848 122.820 0.076 0.000 2.021 229 A HA 0.417 4.737 4.320 -0.000 0.000 0.216 229 A C 1.626 179.148 177.584 -0.103 0.000 1.163 229 A CA 0.551 52.591 52.037 0.005 0.000 0.676 229 A CB -0.936 18.084 19.000 0.033 0.000 0.818 229 A HN 0.149 nan 8.150 nan 0.000 0.453 230 A N -0.614 122.087 122.820 -0.199 0.000 2.386 230 A HA 0.598 4.918 4.320 -0.000 0.000 0.248 230 A C 0.547 177.930 177.584 -0.336 0.000 1.082 230 A CA 0.564 52.450 52.037 -0.252 0.000 0.789 230 A CB 0.010 18.837 19.000 -0.289 0.000 1.025 230 A HN 1.176 nan 8.150 nan 0.000 0.490 231 R N -0.102 120.225 120.500 -0.288 0.000 2.836 231 R HA 0.822 5.162 4.340 -0.000 0.000 0.269 231 R C 0.824 176.956 176.300 -0.280 0.000 1.010 231 R CA 0.482 56.380 56.100 -0.336 0.000 0.930 231 R CB 0.169 30.340 30.300 -0.216 0.000 1.218 231 R HN 2.927 nan 8.270 nan 0.000 0.473 232 G N 0.392 109.020 108.800 -0.287 0.000 2.698 232 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.233 232 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.233 232 G C -2.345 172.492 174.900 -0.104 0.000 1.352 232 G CA -0.218 44.807 45.100 -0.125 0.000 0.879 232 G HN 0.877 nan 8.290 nan 0.000 0.567 233 P HA 0.296 nan 4.420 nan 0.000 0.260 233 P C -0.198 177.122 177.300 0.032 0.000 1.172 233 P CA 1.164 64.312 63.100 0.080 0.000 0.760 233 P CB 0.130 31.872 31.700 0.069 0.000 0.773 234 K N 0.778 121.244 120.400 0.109 0.000 2.572 234 K HA 0.682 5.002 4.320 -0.000 0.000 0.263 234 K C -1.374 175.408 176.600 0.303 0.000 0.932 234 K CA -0.828 55.536 56.287 0.128 0.000 0.838 234 K CB 1.383 33.835 32.500 -0.081 0.000 1.366 234 K HN 0.313 nan 8.250 nan 0.000 0.425 235 S N 0.637 116.533 115.700 0.326 0.000 2.595 235 S HA 0.747 5.217 4.470 -0.000 0.000 0.281 235 S C -0.761 173.942 174.600 0.172 0.000 1.117 235 S CA -0.472 57.898 58.200 0.283 0.000 0.873 235 S CB 2.283 65.662 63.200 0.299 0.000 1.108 235 S HN 0.822 nan 8.310 nan 0.000 0.477 236 T N -0.559 113.948 114.554 -0.079 0.000 2.618 236 T HA 0.917 5.267 4.350 -0.000 0.000 0.293 236 T C -0.126 174.239 174.700 -0.559 0.000 1.093 236 T CA 0.174 62.041 62.100 -0.388 0.000 1.061 236 T CB 1.000 69.365 68.868 -0.838 0.000 1.498 236 T HN 1.812 nan 8.240 nan 0.000 0.494 237 G N -0.006 108.324 108.800 -0.783 0.000 2.335 237 G HA2 0.259 4.218 3.960 -0.000 0.000 0.291 237 G HA3 0.259 4.218 3.960 -0.000 0.000 0.291 237 G C -0.113 174.562 174.900 -0.375 0.000 1.261 237 G CA -0.278 44.250 45.100 -0.955 0.000 0.871 237 G HN 0.684 nan 8.290 nan 0.000 0.491 238 R N 0.300 120.781 120.500 -0.032 0.000 2.189 238 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 238 R C 1.866 178.179 176.300 0.022 0.000 1.092 238 R CA 1.524 57.726 56.100 0.169 0.000 0.989 238 R CB -0.016 30.386 30.300 0.169 0.000 0.876 238 R HN 0.502 nan 8.270 nan 0.000 0.457 239 E N 0.867 121.020 120.200 -0.079 0.000 2.110 239 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 239 E C 1.973 178.448 176.600 -0.209 0.000 0.988 239 E CA 1.260 57.590 56.400 -0.116 0.000 0.804 239 E CB -0.023 29.593 29.700 -0.140 0.000 0.745 239 E HN 0.278 nan 8.360 nan 0.000 0.458 240 R N -0.721 119.548 120.500 -0.385 0.000 2.062 240 R HA 0.112 4.452 4.340 -0.000 0.000 0.218 240 R C -0.191 175.551 176.300 -0.930 0.000 1.161 240 R CA 0.289 55.945 56.100 -0.740 0.000 0.994 240 R CB 0.167 29.777 30.300 -1.149 0.000 0.888 240 R HN 0.010 nan 8.270 nan 0.000 0.442 241 F N 2.261 121.964 119.950 -0.411 0.000 2.371 241 F HA 0.327 4.854 4.527 -0.000 0.000 0.363 241 F C -0.454 175.316 175.800 -0.049 0.000 1.122 241 F CA -0.707 57.026 58.000 -0.445 0.000 1.129 241 F CB 0.983 39.774 39.000 -0.347 0.000 1.173 241 F HN 0.291 nan 8.300 nan 0.000 0.489 242 N N 1.084 119.922 118.700 0.229 0.000 3.106 242 N HA 0.344 5.084 4.740 -0.000 0.000 0.253 242 N C -0.156 175.564 175.510 0.350 0.000 1.506 242 N CA -0.889 52.316 53.050 0.259 0.000 0.876 242 N CB 0.733 39.335 38.487 0.192 0.000 1.452 242 N HN 0.233 nan 8.380 nan 0.000 0.542 243 L N -0.273 121.110 121.223 0.268 0.000 2.072 243 L HA 0.273 4.613 4.340 -0.000 0.000 0.205 243 L C -1.129 175.875 176.870 0.224 0.000 1.079 243 L CA 1.630 56.623 54.840 0.254 0.000 0.752 243 L CB -1.238 40.936 42.059 0.192 0.000 0.906 243 L HN 0.633 nan 8.230 nan 0.000 0.436 244 P HA -0.207 nan 4.420 nan 0.000 0.216 244 P C 1.158 178.586 177.300 0.212 0.000 1.150 244 P CA 1.355 64.553 63.100 0.163 0.000 0.837 244 P CB -0.295 31.487 31.700 0.137 0.000 0.786 245 W N 0.678 122.037 121.300 0.099 0.000 2.335 245 W HA -0.202 4.458 4.660 -0.000 0.000 0.311 245 W C 1.981 178.634 176.519 0.224 0.000 1.213 245 W CA 1.178 58.607 57.345 0.140 0.000 1.274 245 W CB -1.103 28.437 29.460 0.132 0.000 1.148 245 W HN -0.156 nan 8.180 nan 0.000 0.498 246 L N 1.182 122.552 121.223 0.246 0.000 2.046 246 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 246 L C 2.345 179.164 176.870 -0.084 0.000 1.077 246 L CA 2.325 57.134 54.840 -0.052 0.000 0.747 246 L CB -1.208 40.898 42.059 0.079 0.000 0.896 246 L HN 0.150 nan 8.230 nan 0.000 0.432 247 Q N -0.610 119.199 119.800 0.015 0.000 2.291 247 Q HA -0.146 4.194 4.340 -0.000 0.000 0.205 247 Q C 2.187 178.172 176.000 -0.025 0.000 0.970 247 Q CA 1.423 57.235 55.803 0.016 0.000 0.876 247 Q CB -0.166 28.618 28.738 0.077 0.000 0.935 247 Q HN 0.800 nan 8.270 nan 0.000 0.455 248 E N 0.332 120.494 120.200 -0.064 0.000 2.072 248 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 248 E C 1.358 177.819 176.600 -0.232 0.000 0.985 248 E CA 1.570 57.885 56.400 -0.143 0.000 0.801 248 E CB -0.827 28.761 29.700 -0.187 0.000 0.750 248 E HN 0.584 nan 8.360 nan 0.000 0.452 249 H N -0.219 118.684 119.070 -0.278 0.000 2.423 249 H HA 0.229 4.785 4.556 -0.000 0.000 0.297 249 H C 1.216 176.430 175.328 -0.189 0.000 1.075 249 H CA 0.693 56.578 56.048 -0.272 0.000 1.342 249 H CB -0.086 29.427 29.762 -0.414 0.000 1.395 249 H HN 0.309 nan 8.280 nan 0.000 0.530 257 P HA 0.360 nan 4.420 nan 0.000 0.267 257 P C 0.271 177.642 177.300 0.118 0.000 1.205 257 P CA 0.127 63.278 63.100 0.085 0.000 0.765 257 P CB 1.064 32.788 31.700 0.041 0.000 0.828 258 A N 3.591 126.550 122.820 0.231 0.000 1.917 258 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 258 A C 2.082 179.697 177.584 0.052 0.000 1.182 258 A CA 2.061 54.352 52.037 0.424 0.000 0.633 258 A CB -1.372 17.939 19.000 0.519 0.000 0.819 258 A HN 0.585 nan 8.150 nan 0.000 0.448 259 A N -0.474 122.190 122.820 -0.261 0.000 2.015 259 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 259 A C 1.678 178.995 177.584 -0.446 0.000 1.163 259 A CA 1.762 53.323 52.037 -0.792 0.000 0.646 259 A CB -0.423 18.257 19.000 -0.533 0.000 0.806 259 A HN 0.466 nan 8.150 nan 0.000 0.448 260 D N -0.031 120.239 120.400 -0.216 0.000 2.162 260 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 260 D C 1.806 177.993 176.300 -0.187 0.000 0.967 260 D CA 0.814 54.718 54.000 -0.159 0.000 0.840 260 D CB -0.259 40.489 40.800 -0.087 0.000 0.972 260 D HN 0.518 nan 8.370 nan 0.000 0.482 261 I N 0.546 120.994 120.570 -0.204 0.000 2.226 261 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 261 I C 2.457 178.346 176.117 -0.380 0.000 1.100 261 I CA 0.950 62.034 61.300 -0.361 0.000 1.374 261 I CB -0.123 37.515 38.000 -0.605 0.000 1.057 261 I HN -0.062 nan 8.210 nan 0.000 0.413 262 Q N 1.245 120.858 119.800 -0.312 0.000 2.061 262 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 262 Q C 2.238 178.137 176.000 -0.168 0.000 0.984 262 Q CA 2.446 58.129 55.803 -0.200 0.000 0.846 262 Q CB -0.379 28.120 28.738 -0.398 0.000 0.902 262 Q HN 0.499 nan 8.270 nan 0.000 0.421 263 A N -0.771 121.925 122.820 -0.206 0.000 1.908 263 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 263 A C 2.288 179.804 177.584 -0.113 0.000 1.181 263 A CA 2.141 54.096 52.037 -0.136 0.000 0.627 263 A CB -1.142 17.779 19.000 -0.132 0.000 0.818 263 A HN 0.534 nan 8.150 nan 0.000 0.445 264 T N 0.541 115.011 114.554 -0.140 0.000 2.708 264 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 264 T C 1.804 176.431 174.700 -0.122 0.000 1.037 264 T CA 1.463 63.483 62.100 -0.133 0.000 1.146 264 T CB -0.420 68.350 68.868 -0.163 0.000 0.865 264 T HN 0.379 nan 8.240 nan 0.000 0.435 265 L N 0.506 121.652 121.223 -0.129 0.000 2.079 265 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 265 L C 2.477 179.314 176.870 -0.055 0.000 1.081 265 L CA 0.940 55.730 54.840 -0.082 0.000 0.752 265 L CB -0.585 41.437 42.059 -0.062 0.000 0.896 265 L HN 0.233 nan 8.230 nan 0.000 0.433 266 L N -0.231 120.963 121.223 -0.048 0.000 2.046 266 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 266 L C 2.560 179.398 176.870 -0.053 0.000 1.077 266 L CA 1.407 56.227 54.840 -0.033 0.000 0.747 266 L CB -0.073 41.975 42.059 -0.019 0.000 0.896 266 L HN 0.178 nan 8.230 nan 0.000 0.432 267 E N -0.141 120.018 120.200 -0.068 0.000 2.106 267 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 267 E C 1.980 178.516 176.600 -0.106 0.000 0.984 267 E CA 1.291 57.645 56.400 -0.077 0.000 0.806 267 E CB -0.373 29.282 29.700 -0.075 0.000 0.750 267 E HN 0.437 nan 8.360 nan 0.000 0.458 268 L N 0.160 121.311 121.223 -0.121 0.000 2.013 268 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 268 L C 2.150 178.908 176.870 -0.186 0.000 1.073 268 L CA 2.172 56.908 54.840 -0.174 0.000 0.753 268 L CB -0.828 41.157 42.059 -0.123 0.000 0.890 268 L HN 0.042 nan 8.230 nan 0.000 0.432 269 S N -0.269 115.361 115.700 -0.117 0.000 2.356 269 S HA -0.124 4.345 4.470 -0.000 0.000 0.223 269 S C 2.086 176.641 174.600 -0.075 0.000 1.032 269 S CA 1.069 59.216 58.200 -0.090 0.000 1.005 269 S CB -0.690 62.472 63.200 -0.064 0.000 0.867 269 S HN 0.693 nan 8.310 nan 0.000 0.449 270 A N 2.292 125.069 122.820 -0.072 0.000 1.883 270 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 270 A C 2.214 179.758 177.584 -0.067 0.000 1.186 270 A CA 1.189 53.191 52.037 -0.059 0.000 0.624 270 A CB -0.430 18.539 19.000 -0.052 0.000 0.822 270 A HN 0.267 nan 8.150 nan 0.000 0.444 271 R N 0.190 120.632 120.500 -0.097 0.000 2.066 271 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 271 R C 2.691 178.918 176.300 -0.122 0.000 1.131 271 R CA 1.737 57.772 56.100 -0.108 0.000 0.955 271 R CB -0.960 29.259 30.300 -0.136 0.000 0.851 271 R HN 0.743 nan 8.270 nan 0.000 0.432 272 S N 0.685 116.270 115.700 -0.192 0.000 2.382 272 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 272 S C 2.192 176.805 174.600 0.022 0.000 1.027 272 S CA 0.882 58.981 58.200 -0.169 0.000 0.991 272 S CB -0.469 62.527 63.200 -0.340 0.000 0.823 272 S HN 0.192 nan 8.310 nan 0.000 0.469 273 I N 1.700 122.280 120.570 0.016 0.000 2.163 273 I HA -0.148 4.022 4.170 -0.000 0.000 0.240 273 I C 2.834 178.976 176.117 0.042 0.000 1.081 273 I CA 1.322 62.653 61.300 0.053 0.000 1.353 273 I CB -0.577 37.431 38.000 0.013 0.000 1.054 273 I HN 0.301 nan 8.210 nan 0.000 0.407 274 S N 0.375 116.077 115.700 0.003 0.000 2.353 274 S HA -0.227 4.243 4.470 -0.000 0.000 0.222 274 S C 1.884 176.494 174.600 0.017 0.000 1.035 274 S CA 1.562 59.762 58.200 -0.000 0.000 1.025 274 S CB -0.361 62.827 63.200 -0.019 0.000 0.902 274 S HN 0.442 nan 8.310 nan 0.000 0.440 275 E N 1.065 121.270 120.200 0.009 0.000 2.077 275 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 275 E C 2.461 179.089 176.600 0.047 0.000 0.989 275 E CA 1.411 57.820 56.400 0.014 0.000 0.800 275 E CB -0.196 29.498 29.700 -0.010 0.000 0.746 275 E HN 0.617 nan 8.360 nan 0.000 0.452 276 S N 0.829 116.584 115.700 0.092 0.000 2.387 276 S HA -0.095 4.375 4.470 -0.000 0.000 0.226 276 S C 2.065 176.832 174.600 0.277 0.000 1.026 276 S CA 0.421 58.715 58.200 0.157 0.000 0.972 276 S CB -0.284 63.066 63.200 0.249 0.000 0.814 276 S HN 0.226 nan 8.310 nan 0.000 0.477 277 L N 0.652 121.997 121.223 0.203 0.000 2.005 277 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 277 L C 2.507 179.435 176.870 0.097 0.000 1.072 277 L CA 1.348 56.271 54.840 0.139 0.000 0.744 277 L CB -0.281 41.802 42.059 0.041 0.000 0.895 277 L HN 0.335 nan 8.230 nan 0.000 0.433 278 L N -0.531 120.729 121.223 0.061 0.000 2.141 278 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 278 L C 2.312 179.206 176.870 0.040 0.000 1.094 278 L CA 1.283 56.144 54.840 0.035 0.000 0.763 278 L CB -0.764 41.305 42.059 0.016 0.000 0.908 278 L HN 0.463 nan 8.230 nan 0.000 0.437 279 D N 0.552 120.981 120.400 0.049 0.000 2.144 279 D HA -0.191 4.449 4.640 -0.000 0.000 0.199 279 D C 1.900 178.229 176.300 0.048 0.000 0.984 279 D CA 1.518 55.538 54.000 0.033 0.000 0.834 279 D CB 0.501 41.306 40.800 0.009 0.000 0.955 279 D HN 0.338 nan 8.370 nan 0.000 0.465 280 A N -0.382 122.499 122.820 0.103 0.000 1.997 280 A HA 0.048 4.368 4.320 -0.000 0.000 0.212 280 A C 1.530 179.165 177.584 0.084 0.000 1.178 280 A CA 0.240 52.352 52.037 0.126 0.000 0.698 280 A CB 0.225 19.399 19.000 0.290 0.000 0.842 280 A HN 0.244 nan 8.150 nan 0.000 0.458 281 Q N -0.124 119.714 119.800 0.064 0.000 3.300 281 Q HA 0.206 4.546 4.340 -0.000 0.000 0.271 281 Q C -2.201 173.809 176.000 0.017 0.000 0.926 281 Q CA -1.779 54.043 55.803 0.030 0.000 0.788 281 Q CB 1.515 30.261 28.738 0.013 0.000 1.385 281 Q HN 0.296 nan 8.270 nan 0.000 0.424 282 P HA -0.092 nan 4.420 nan 0.000 0.220 282 P C 0.556 177.856 177.300 0.000 0.000 1.148 282 P CA 1.536 64.641 63.100 0.008 0.000 0.803 282 P CB 0.043 31.747 31.700 0.008 0.000 0.782 283 D N -0.580 119.820 120.400 -0.000 0.000 2.324 283 D HA 0.035 4.675 4.640 -0.000 0.000 0.235 283 D C 0.638 176.931 176.300 -0.012 0.000 1.095 283 D CA -0.199 53.798 54.000 -0.005 0.000 0.871 283 D CB -1.270 39.528 40.800 -0.003 0.000 0.906 283 D HN 0.247 nan 8.370 nan 0.000 0.522 284 C N 0.446 119.736 119.300 -0.015 0.000 2.590 284 C HA 0.491 4.951 4.460 -0.000 0.000 0.411 284 C C 1.825 176.797 174.990 -0.031 0.000 1.420 284 C CA 1.128 60.129 59.018 -0.028 0.000 1.643 284 C CB -0.337 27.383 27.740 -0.033 0.000 2.528 284 C HN 0.619 nan 8.230 nan 0.000 0.606 285 E N 3.103 123.281 120.200 -0.037 0.000 2.399 285 E HA 0.243 4.593 4.350 -0.000 0.000 0.205 285 E C 0.483 177.059 176.600 -0.040 0.000 0.906 285 E CA 0.328 56.709 56.400 -0.032 0.000 0.998 285 E CB 0.158 29.844 29.700 -0.023 0.000 1.002 285 E HN 0.910 nan 8.360 nan 0.000 0.501 286 E N -0.473 119.688 120.200 -0.064 0.000 2.275 286 E HA 0.546 4.896 4.350 -0.000 0.000 0.270 286 E C -1.664 174.849 176.600 -0.145 0.000 0.882 286 E CA -0.781 55.566 56.400 -0.088 0.000 0.758 286 E CB 2.770 32.418 29.700 -0.087 0.000 1.195 286 E HN 0.097 nan 8.360 nan 0.000 0.419 287 V N 4.635 124.458 119.914 -0.152 0.000 2.326 287 V HA 0.299 4.419 4.120 -0.000 0.000 0.281 287 V C -0.375 175.562 176.094 -0.261 0.000 1.015 287 V CA -0.649 61.536 62.300 -0.192 0.000 0.823 287 V CB 0.803 32.545 31.823 -0.135 0.000 1.009 287 V HN 0.516 nan 8.190 nan 0.000 0.436 288 L N 5.770 126.748 121.223 -0.409 0.000 2.255 288 L HA 0.570 4.910 4.340 -0.000 0.000 0.289 288 L C -0.420 176.197 176.870 -0.422 0.000 1.046 288 L CA -0.604 53.905 54.840 -0.552 0.000 0.816 288 L CB 1.375 42.806 42.059 -1.047 0.000 1.197 288 L HN 0.315 nan 8.230 nan 0.000 0.427 289 V N 2.741 122.470 119.914 -0.308 0.000 2.394 289 V HA 0.386 4.506 4.120 -0.000 0.000 0.282 289 V C 0.441 176.396 176.094 -0.233 0.000 1.031 289 V CA -0.541 61.612 62.300 -0.244 0.000 0.881 289 V CB 1.340 33.040 31.823 -0.204 0.000 0.982 289 V HN 1.015 nan 8.190 nan 0.000 0.451 290 C N 2.185 121.375 119.300 -0.183 0.000 2.967 290 C HA 1.077 5.537 4.460 -0.000 0.000 0.372 290 C C 0.651 175.581 174.990 -0.101 0.000 1.455 290 C CA -0.406 58.537 59.018 -0.125 0.000 1.638 290 C CB 0.751 28.468 27.740 -0.039 0.000 2.096 290 C HN 1.756 nan 8.230 nan 0.000 0.466 291 G N -0.486 108.270 108.800 -0.074 0.000 2.795 291 G HA2 0.352 4.312 3.960 -0.000 0.000 0.664 291 G HA3 0.352 4.312 3.960 -0.000 0.000 0.664 291 G C 0.635 175.478 174.900 -0.094 0.000 1.381 291 G CA -0.107 44.949 45.100 -0.073 0.000 0.853 291 G HN 2.143 nan 8.290 nan 0.000 0.545 292 G N -0.247 108.503 108.800 -0.084 0.000 2.475 292 G HA2 0.171 4.131 3.960 -0.000 0.000 0.220 292 G HA3 0.171 4.131 3.960 -0.000 0.000 0.220 292 G C 1.954 176.835 174.900 -0.031 0.000 1.125 292 G CA 1.955 47.023 45.100 -0.053 0.000 0.755 292 G HN 1.991 nan 8.290 nan 0.000 0.565 293 G N 0.847 109.609 108.800 -0.063 0.000 2.470 293 G HA2 0.071 4.031 3.960 -0.000 0.000 0.220 293 G HA3 0.071 4.031 3.960 -0.000 0.000 0.220 293 G C 1.881 176.719 174.900 -0.104 0.000 1.121 293 G CA 1.256 46.321 45.100 -0.058 0.000 0.766 293 G HN 0.638 nan 8.290 nan 0.000 0.553 294 A N 0.052 122.744 122.820 -0.214 0.000 2.070 294 A HA 0.215 4.535 4.320 -0.000 0.000 0.220 294 A C 1.598 178.879 177.584 -0.506 0.000 1.159 294 A CA 0.778 52.574 52.037 -0.401 0.000 0.656 294 A CB -0.315 18.336 19.000 -0.581 0.000 0.800 294 A HN 0.318 nan 8.150 nan 0.000 0.453 295 F N -0.534 119.393 119.950 -0.037 0.000 2.653 295 F HA 0.247 4.774 4.527 -0.000 0.000 0.304 295 F C 0.722 176.520 175.800 -0.002 0.000 1.092 295 F CA -0.885 57.101 58.000 -0.022 0.000 1.279 295 F CB 0.048 39.027 39.000 -0.035 0.000 1.044 295 F HN 0.098 nan 8.300 nan 0.000 0.564 296 N N 0.980 119.743 118.700 0.105 0.000 2.448 296 N HA 0.010 4.750 4.740 -0.000 0.000 0.250 296 N C 1.068 176.613 175.510 0.059 0.000 1.136 296 N CA 0.393 53.496 53.050 0.088 0.000 0.953 296 N CB 0.734 39.258 38.487 0.061 0.000 1.251 296 N HN 0.063 nan 8.380 nan 0.000 0.502 297 T N 2.369 116.969 114.554 0.077 0.000 2.635 297 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 297 T C 1.787 176.507 174.700 0.033 0.000 1.040 297 T CA 2.035 64.168 62.100 0.056 0.000 1.156 297 T CB -0.208 68.698 68.868 0.065 0.000 0.863 297 T HN 0.656 nan 8.240 nan 0.000 0.430 298 A N 0.812 123.655 122.820 0.038 0.000 1.972 298 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 298 A C 2.246 179.835 177.584 0.009 0.000 1.169 298 A CA 1.282 53.334 52.037 0.024 0.000 0.635 298 A CB -0.695 18.324 19.000 0.031 0.000 0.810 298 A HN 0.400 nan 8.150 nan 0.000 0.446 299 L N -1.115 120.114 121.223 0.010 0.000 2.072 299 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 299 L C 2.271 179.128 176.870 -0.022 0.000 1.079 299 L CA 1.710 56.545 54.840 -0.008 0.000 0.752 299 L CB -0.465 41.590 42.059 -0.008 0.000 0.906 299 L HN 0.272 nan 8.230 nan 0.000 0.436 300 M N -0.002 119.585 119.600 -0.023 0.000 2.279 300 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 300 M C 2.399 178.682 176.300 -0.028 0.000 1.062 300 M CA 1.936 57.214 55.300 -0.037 0.000 1.099 300 M CB -1.330 31.243 32.600 -0.045 0.000 1.394 300 M HN 0.430 nan 8.290 nan 0.000 0.426 301 K N 0.175 120.566 120.400 -0.015 0.000 2.044 301 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 301 K C 2.033 178.622 176.600 -0.017 0.000 1.049 301 K CA 0.913 57.193 56.287 -0.012 0.000 0.945 301 K CB -0.645 31.853 32.500 -0.003 0.000 0.724 301 K HN 0.178 nan 8.250 nan 0.000 0.440 302 R N 0.341 120.830 120.500 -0.018 0.000 2.120 302 R HA 0.102 4.442 4.340 -0.000 0.000 0.234 302 R C 2.328 178.611 176.300 -0.028 0.000 1.123 302 R CA 1.122 57.209 56.100 -0.023 0.000 0.975 302 R CB -0.809 29.476 30.300 -0.025 0.000 0.866 302 R HN 0.510 nan 8.270 nan 0.000 0.446 303 L N -0.088 121.115 121.223 -0.032 0.000 2.141 303 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 303 L C 2.446 179.295 176.870 -0.035 0.000 1.094 303 L CA 1.196 56.014 54.840 -0.037 0.000 0.763 303 L CB -0.474 41.556 42.059 -0.047 0.000 0.908 303 L HN 0.129 nan 8.230 nan 0.000 0.437 304 A N -0.628 122.173 122.820 -0.032 0.000 1.929 304 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 304 A C 2.266 179.836 177.584 -0.023 0.000 1.176 304 A CA 1.138 53.158 52.037 -0.028 0.000 0.628 304 A CB -0.246 18.739 19.000 -0.025 0.000 0.816 304 A HN 0.219 nan 8.150 nan 0.000 0.444 305 M N -0.382 119.205 119.600 -0.021 0.000 2.132 305 M HA 0.021 4.501 4.480 -0.000 0.000 0.263 305 M C 1.946 178.234 176.300 -0.019 0.000 1.065 305 M CA 1.270 56.559 55.300 -0.018 0.000 1.122 305 M CB -1.343 31.247 32.600 -0.017 0.000 1.365 305 M HN 0.356 nan 8.290 nan 0.000 0.411 306 L N -1.292 119.918 121.223 -0.022 0.000 2.492 306 L HA 0.033 4.373 4.340 -0.000 0.000 0.223 306 L C 0.692 177.550 176.870 -0.020 0.000 1.132 306 L CA 0.324 55.151 54.840 -0.022 0.000 0.850 306 L CB -0.059 41.984 42.059 -0.026 0.000 0.966 306 L HN 0.231 nan 8.230 nan 0.000 0.454 307 M N -0.304 119.283 119.600 -0.022 0.000 2.389 307 M HA 0.223 4.703 4.480 -0.000 0.000 0.206 307 M C -1.887 174.400 176.300 -0.022 0.000 0.976 307 M CA -1.301 53.986 55.300 -0.022 0.000 0.648 307 M CB 1.315 33.899 32.600 -0.027 0.000 1.474 307 M HN -0.212 nan 8.290 nan 0.000 0.398 308 P HA -0.085 nan 4.420 nan 0.000 0.219 308 P C 1.362 178.652 177.300 -0.016 0.000 1.150 308 P CA 1.433 64.523 63.100 -0.016 0.000 0.814 308 P CB 0.077 31.769 31.700 -0.013 0.000 0.787 309 E N -0.146 120.044 120.200 -0.016 0.000 2.338 309 E HA 0.152 4.502 4.350 -0.000 0.000 0.197 309 E C 1.186 177.774 176.600 -0.019 0.000 1.007 309 E CA 1.008 57.399 56.400 -0.015 0.000 0.849 309 E CB -0.812 28.881 29.700 -0.013 0.000 0.774 309 E HN 0.440 nan 8.360 nan 0.000 0.506 310 A N -0.925 121.881 122.820 -0.024 0.000 2.355 310 A HA 0.768 5.088 4.320 -0.000 0.000 0.324 310 A C 0.434 178.000 177.584 -0.031 0.000 1.117 310 A CA -0.011 52.008 52.037 -0.031 0.000 0.785 310 A CB 1.088 20.064 19.000 -0.040 0.000 1.254 310 A HN 0.745 nan 8.150 nan 0.000 0.453 311 R N 1.154 121.635 120.500 -0.030 0.000 2.220 311 R HA 0.540 4.880 4.340 -0.000 0.000 0.340 311 R C -0.609 175.669 176.300 -0.038 0.000 1.076 311 R CA -0.244 55.841 56.100 -0.025 0.000 0.920 311 R CB -0.336 29.958 30.300 -0.011 0.000 1.062 311 R HN 0.868 nan 8.270 nan 0.000 0.469 312 V N 2.005 121.893 119.914 -0.042 0.000 2.385 312 V HA 0.687 4.807 4.120 -0.000 0.000 0.269 312 V C 0.435 176.499 176.094 -0.050 0.000 1.043 312 V CA -0.234 62.030 62.300 -0.059 0.000 0.906 312 V CB 0.889 32.676 31.823 -0.060 0.000 0.995 312 V HN 1.082 nan 8.190 nan 0.000 0.467 313 A N 3.799 126.586 122.820 -0.055 0.000 2.486 313 A HA 0.743 5.063 4.320 -0.000 0.000 0.300 313 A C -0.077 177.465 177.584 -0.069 0.000 1.048 313 A CA -0.473 51.549 52.037 -0.024 0.000 0.696 313 A CB 1.833 20.877 19.000 0.073 0.000 1.278 313 A HN 0.800 nan 8.150 nan 0.000 0.405 314 S N 0.563 116.207 115.700 -0.095 0.000 2.563 314 S HA 0.128 4.598 4.470 -0.000 0.000 0.284 314 S C 1.261 175.827 174.600 -0.058 0.000 1.331 314 S CA 0.903 59.004 58.200 -0.165 0.000 1.047 314 S CB 0.727 63.771 63.200 -0.260 0.000 0.859 314 S HN 1.140 nan 8.310 nan 0.000 0.514 315 T N 1.515 116.006 114.554 -0.105 0.000 3.072 315 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 315 T C 1.443 176.228 174.700 0.142 0.000 1.127 315 T CA 1.459 63.546 62.100 -0.023 0.000 1.107 315 T CB -0.671 68.138 68.868 -0.099 0.000 0.910 315 T HN 0.841 nan 8.240 nan 0.000 0.513 316 D N 1.477 121.937 120.400 0.100 0.000 2.219 316 D HA -0.166 4.474 4.640 -0.000 0.000 0.205 316 D C 1.371 177.742 176.300 0.119 0.000 0.970 316 D CA 0.919 55.006 54.000 0.145 0.000 0.851 316 D CB -0.353 40.555 40.800 0.180 0.000 0.943 316 D HN 0.748 nan 8.370 nan 0.000 0.488 317 E N -0.716 119.532 120.200 0.080 0.000 2.365 317 E HA -0.043 4.307 4.350 -0.000 0.000 0.188 317 E C 0.043 176.509 176.600 -0.223 0.000 1.102 317 E CA -0.156 56.213 56.400 -0.052 0.000 0.927 317 E CB -0.336 29.299 29.700 -0.108 0.000 1.073 317 E HN 0.384 nan 8.360 nan 0.000 0.467 318 Y N -0.444 119.862 120.300 0.010 0.000 2.626 318 Y HA 0.334 4.884 4.550 -0.000 0.000 0.248 318 Y C 1.505 177.483 175.900 0.130 0.000 1.147 318 Y CA -0.062 58.074 58.100 0.061 0.000 1.219 318 Y CB 1.691 40.161 38.460 0.016 0.000 1.279 318 Y HN 0.256 nan 8.280 nan 0.000 0.541 319 G N 0.503 109.425 108.800 0.202 0.000 2.175 319 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 319 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 319 G C -0.178 174.830 174.900 0.179 0.000 0.982 319 G CA 0.012 45.207 45.100 0.159 0.000 0.641 319 G HN 0.113 nan 8.290 nan 0.000 0.527 320 I N 1.617 122.327 120.570 0.234 0.000 2.382 320 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 320 I C -2.432 173.826 176.117 0.234 0.000 1.002 320 I CA -2.888 58.552 61.300 0.233 0.000 1.135 320 I CB 1.403 39.562 38.000 0.264 0.000 1.288 320 I HN -0.182 nan 8.210 nan 0.000 0.448 321 P HA 0.187 nan 4.420 nan 0.000 0.271 321 P C -2.002 175.448 177.300 0.250 0.000 1.226 321 P CA -1.143 62.145 63.100 0.314 0.000 0.765 321 P CB 0.231 32.219 31.700 0.480 0.000 0.835 322 P HA -0.254 nan 4.420 nan 0.000 0.217 322 P C 1.201 178.492 177.300 -0.014 0.000 1.151 322 P CA 1.963 65.076 63.100 0.021 0.000 0.849 322 P CB -0.284 31.334 31.700 -0.137 0.000 0.787 323 A N -2.555 120.199 122.820 -0.110 0.000 2.066 323 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 323 A C 1.500 178.754 177.584 -0.550 0.000 1.157 323 A CA 0.806 52.568 52.037 -0.458 0.000 0.670 323 A CB -1.397 17.123 19.000 -0.800 0.000 0.804 323 A HN 0.295 nan 8.150 nan 0.000 0.453 324 W N -2.326 119.045 121.300 0.119 0.000 3.127 324 W HA 0.300 4.960 4.660 -0.000 0.000 0.344 324 W C 1.724 178.328 176.519 0.142 0.000 1.151 324 W CA -0.018 57.401 57.345 0.122 0.000 1.765 324 W CB 0.035 29.565 29.460 0.117 0.000 1.085 324 W HN 0.284 nan 8.180 nan 0.000 0.596 325 M N 1.371 121.152 119.600 0.302 0.000 2.082 325 M HA -0.227 4.253 4.480 -0.000 0.000 0.258 325 M C 1.752 178.213 176.300 0.269 0.000 1.069 325 M CA 2.111 57.603 55.300 0.320 0.000 1.102 325 M CB -0.372 32.395 32.600 0.279 0.000 1.336 325 M HN 0.023 nan 8.290 nan 0.000 0.404 326 E N -0.838 119.481 120.200 0.198 0.000 2.051 326 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 326 E C 2.030 178.761 176.600 0.218 0.000 0.991 326 E CA 1.105 57.605 56.400 0.167 0.000 0.799 326 E CB -0.641 29.157 29.700 0.164 0.000 0.748 326 E HN 0.740 nan 8.360 nan 0.000 0.449 327 G N 1.228 110.184 108.800 0.260 0.000 2.469 327 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 327 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 327 G C 1.574 176.569 174.900 0.158 0.000 1.150 327 G CA 1.005 46.272 45.100 0.278 0.000 0.763 327 G HN 0.101 nan 8.290 nan 0.000 0.561 328 M N 0.773 120.427 119.600 0.091 0.000 2.117 328 M HA 0.001 4.481 4.480 -0.000 0.000 0.262 328 M C 3.073 178.986 176.300 -0.644 0.000 1.065 328 M CA 1.358 56.593 55.300 -0.108 0.000 1.114 328 M CB -0.283 32.368 32.600 0.085 0.000 1.361 328 M HN 0.305 nan 8.290 nan 0.000 0.408 329 A N 0.124 122.436 122.820 -0.847 0.000 1.917 329 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 329 A C 1.845 179.020 177.584 -0.682 0.000 1.182 329 A CA 1.750 53.104 52.037 -1.139 0.000 0.633 329 A CB -0.970 17.633 19.000 -0.662 0.000 0.819 329 A HN 0.436 nan 8.150 nan 0.000 0.448 330 F N -0.312 119.458 119.950 -0.299 0.000 2.293 330 F HA 0.111 4.638 4.527 -0.000 0.000 0.297 330 F C 2.710 178.394 175.800 -0.193 0.000 1.089 330 F CA 0.585 58.407 58.000 -0.297 0.000 1.377 330 F CB -0.443 38.458 39.000 -0.165 0.000 1.051 330 F HN 0.249 nan 8.300 nan 0.000 0.511 331 A N -0.573 122.280 122.820 0.055 0.000 1.908 331 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 331 A C 2.046 179.584 177.584 -0.078 0.000 1.181 331 A CA 1.627 53.706 52.037 0.070 0.000 0.627 331 A CB -1.578 17.494 19.000 0.120 0.000 0.818 331 A HN 0.607 nan 8.150 nan 0.000 0.445 332 W N 0.541 121.624 121.300 -0.361 0.000 2.358 332 W HA -0.122 4.538 4.660 -0.000 0.000 0.303 332 W C 1.701 178.072 176.519 -0.247 0.000 1.208 332 W CA 1.761 58.899 57.345 -0.345 0.000 1.274 332 W CB -0.293 28.885 29.460 -0.471 0.000 1.138 332 W HN 0.252 nan 8.180 nan 0.000 0.515 333 L N 0.494 121.576 121.223 -0.235 0.000 2.191 333 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 333 L C 2.650 179.492 176.870 -0.046 0.000 1.103 333 L CA 1.208 55.857 54.840 -0.318 0.000 0.769 333 L CB -1.128 40.549 42.059 -0.636 0.000 0.908 333 L HN 0.107 nan 8.230 nan 0.000 0.438 334 A N -1.004 121.822 122.820 0.011 0.000 1.930 334 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 334 A C 2.285 179.838 177.584 -0.052 0.000 1.175 334 A CA 1.476 53.604 52.037 0.151 0.000 0.627 334 A CB -0.817 18.315 19.000 0.220 0.000 0.815 334 A HN 0.517 nan 8.150 nan 0.000 0.443 335 H N -0.393 118.309 119.070 -0.614 0.000 2.353 335 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 335 H C 2.060 177.170 175.328 -0.363 0.000 1.090 335 H CA 1.447 57.068 56.048 -0.711 0.000 1.327 335 H CB 0.008 29.151 29.762 -1.031 0.000 1.383 335 H HN 0.265 nan 8.280 nan 0.000 0.508 336 R N 0.098 120.254 120.500 -0.572 0.000 2.075 336 R HA -0.134 4.205 4.340 -0.000 0.000 0.232 336 R C 2.406 178.559 176.300 -0.245 0.000 1.126 336 R CA 0.951 56.730 56.100 -0.535 0.000 0.963 336 R CB -1.291 28.620 30.300 -0.649 0.000 0.858 336 R HN 0.352 nan 8.270 nan 0.000 0.435 337 F N 1.709 121.550 119.950 -0.182 0.000 2.069 337 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 337 F C 2.109 177.852 175.800 -0.095 0.000 1.113 337 F CA 1.526 59.485 58.000 -0.068 0.000 1.214 337 F CB -0.285 38.740 39.000 0.042 0.000 0.978 337 F HN -0.115 nan 8.300 nan 0.000 0.474 338 L N -0.037 121.275 121.223 0.148 0.000 2.201 338 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 338 L C 1.906 178.705 176.870 -0.119 0.000 1.105 338 L CA 0.913 55.799 54.840 0.077 0.000 0.775 338 L CB -0.575 41.606 42.059 0.203 0.000 0.913 338 L HN 0.146 nan 8.230 nan 0.000 0.440 339 E N -0.017 120.038 120.200 -0.242 0.000 2.489 339 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 339 E C 0.045 176.512 176.600 -0.221 0.000 1.057 339 E CA -0.068 56.182 56.400 -0.249 0.000 0.866 339 E CB 0.233 29.702 29.700 -0.384 0.000 0.916 339 E HN 0.176 nan 8.360 nan 0.000 0.500 340 R N 0.028 120.367 120.500 -0.269 0.000 3.267 340 R HA -0.174 4.166 4.340 -0.000 0.000 0.254 340 R C -0.519 175.671 176.300 -0.183 0.000 0.993 340 R CA 0.454 56.400 56.100 -0.256 0.000 0.670 340 R CB -2.816 27.355 30.300 -0.215 0.000 1.125 340 R HN 0.190 nan 8.270 nan 0.000 0.434 341 L N 1.009 122.117 121.223 -0.192 0.000 2.342 341 L HA 0.583 4.923 4.340 -0.000 0.000 0.271 341 L C -1.652 175.150 176.870 -0.114 0.000 1.008 341 L CA -2.323 52.432 54.840 -0.141 0.000 0.818 341 L CB 1.792 43.755 42.059 -0.159 0.000 1.296 341 L HN -0.136 nan 8.230 nan 0.000 0.427 342 P HA 0.036 nan 4.420 nan 0.000 0.269 342 P C 0.070 177.374 177.300 0.007 0.000 1.209 342 P CA 0.011 63.107 63.100 -0.006 0.000 0.776 342 P CB 1.076 32.790 31.700 0.023 0.000 0.876 343 G N 1.609 110.439 108.800 0.051 0.000 2.759 343 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.208 343 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.208 343 G C 0.446 175.419 174.900 0.123 0.000 1.076 343 G CA -0.070 45.080 45.100 0.082 0.000 0.789 343 G HN 0.635 nan 8.290 nan 0.000 0.546 344 N N -0.141 118.623 118.700 0.107 0.000 2.458 344 N HA 0.348 5.088 4.740 -0.000 0.000 0.271 344 N C -1.053 174.510 175.510 0.088 0.000 1.210 344 N CA -0.694 52.415 53.050 0.098 0.000 0.978 344 N CB 1.200 39.746 38.487 0.099 0.000 1.206 344 N HN -0.121 nan 8.380 nan 0.000 0.536 345 C N 1.326 120.672 119.300 0.077 0.000 2.291 345 C HA 0.369 4.829 4.460 -0.000 0.000 0.322 345 C C -1.172 173.857 174.990 0.066 0.000 1.205 345 C CA -0.943 58.116 59.018 0.068 0.000 1.495 345 C CB 1.179 28.953 27.740 0.058 0.000 2.127 345 C HN 0.661 nan 8.230 nan 0.000 0.452 346 P HA -0.145 nan 4.420 nan 0.000 0.216 346 P C 0.708 178.045 177.300 0.060 0.000 1.150 346 P CA 1.662 64.797 63.100 0.059 0.000 0.843 346 P CB 0.302 32.032 31.700 0.049 0.000 0.787 347 D N -1.630 118.806 120.400 0.059 0.000 2.347 347 D HA -0.035 4.605 4.640 -0.000 0.000 0.215 347 D C 1.871 178.222 176.300 0.085 0.000 0.976 347 D CA 0.374 54.413 54.000 0.064 0.000 0.884 347 D CB -0.363 40.471 40.800 0.057 0.000 0.915 347 D HN 0.025 nan 8.370 nan 0.000 0.526 348 V N 0.547 120.511 119.914 0.084 0.000 2.300 348 V HA -0.131 3.989 4.120 -0.000 0.000 0.241 348 V C 2.564 178.727 176.094 0.116 0.000 1.034 348 V CA 2.065 64.427 62.300 0.103 0.000 1.021 348 V CB -0.640 31.226 31.823 0.071 0.000 0.662 348 V HN 0.333 nan 8.190 nan 0.000 0.458 349 T N -2.612 112.000 114.554 0.097 0.000 3.054 349 T HA 0.239 4.589 4.350 -0.000 0.000 0.259 349 T C 1.597 176.349 174.700 0.085 0.000 1.092 349 T CA 1.103 63.263 62.100 0.100 0.000 1.121 349 T CB 0.528 69.455 68.868 0.100 0.000 0.912 349 T HN 1.043 nan 8.240 nan 0.000 0.489 350 G N 1.464 110.308 108.800 0.074 0.000 2.179 350 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.260 350 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.260 350 G C 0.388 175.323 174.900 0.058 0.000 0.977 350 G CA 0.044 45.179 45.100 0.059 0.000 0.641 350 G HN 1.194 nan 8.290 nan 0.000 0.533 351 A N -0.421 122.438 122.820 0.065 0.000 2.492 351 A HA 0.636 4.956 4.320 -0.000 0.000 0.236 351 A C 1.700 179.315 177.584 0.051 0.000 1.078 351 A CA 0.699 52.773 52.037 0.063 0.000 0.773 351 A CB 0.168 19.210 19.000 0.069 0.000 1.023 351 A HN 0.849 nan 8.150 nan 0.000 0.504 352 L N 0.847 122.097 121.223 0.045 0.000 2.131 352 L HA 0.084 4.424 4.340 -0.000 0.000 0.210 352 L C 1.435 178.324 176.870 0.033 0.000 1.092 352 L CA 1.499 56.360 54.840 0.035 0.000 0.759 352 L CB -0.478 41.599 42.059 0.029 0.000 0.903 352 L HN 0.917 nan 8.230 nan 0.000 0.435 353 G N -2.224 106.597 108.800 0.036 0.000 2.554 353 G HA2 0.364 4.324 3.960 -0.000 0.000 0.306 353 G HA3 0.364 4.324 3.960 -0.000 0.000 0.306 353 G C -2.963 171.960 174.900 0.039 0.000 1.320 353 G CA -0.635 44.485 45.100 0.034 0.000 0.800 353 G HN -0.331 nan 8.290 nan 0.000 0.481 354 P HA 0.412 nan 4.420 nan 0.000 0.271 354 P C -0.973 176.348 177.300 0.035 0.000 1.218 354 P CA -0.077 63.046 63.100 0.039 0.000 0.780 354 P CB 1.004 32.723 31.700 0.032 0.000 0.901 355 R N 0.801 121.328 120.500 0.044 0.000 2.651 355 R HA 0.349 4.689 4.340 -0.000 0.000 0.278 355 R C -0.542 175.786 176.300 0.047 0.000 1.010 355 R CA -0.628 55.498 56.100 0.043 0.000 0.896 355 R CB 1.191 31.528 30.300 0.061 0.000 1.211 355 R HN 0.335 nan 8.270 nan 0.000 0.456 356 T N 3.844 118.412 114.554 0.022 0.000 2.784 356 T HA 0.262 4.612 4.350 -0.000 0.000 0.291 356 T C 0.592 175.369 174.700 0.128 0.000 0.942 356 T CA 0.051 62.166 62.100 0.025 0.000 1.161 356 T CB 0.017 68.834 68.868 -0.084 0.000 0.885 356 T HN 0.165 nan 8.240 nan 0.000 0.534 357 L N 3.342 124.700 121.223 0.224 0.000 2.325 357 L HA 0.725 5.065 4.340 -0.000 0.000 0.279 357 L C 1.011 178.118 176.870 0.396 0.000 1.054 357 L CA -0.449 54.578 54.840 0.312 0.000 0.804 357 L CB 1.110 43.395 42.059 0.376 0.000 1.200 357 L HN 0.916 nan 8.230 nan 0.000 0.436 358 G N 1.888 110.771 108.800 0.139 0.000 2.592 358 G HA2 0.264 4.224 3.960 -0.000 0.000 0.684 358 G HA3 0.264 4.224 3.960 -0.000 0.000 0.684 358 G C -1.363 173.425 174.900 -0.187 0.000 1.291 358 G CA -0.352 44.557 45.100 -0.319 0.000 0.891 358 G HN 0.997 nan 8.290 nan 0.000 0.544 359 A N -0.872 121.676 122.820 -0.453 0.000 2.449 359 A HA 0.865 5.185 4.320 -0.000 0.000 0.302 359 A C -0.685 176.568 177.584 -0.551 0.000 1.048 359 A CA -0.248 51.584 52.037 -0.341 0.000 0.708 359 A CB 1.905 20.808 19.000 -0.161 0.000 1.274 359 A HN 2.260 nan 8.150 nan 0.000 0.410 360 L N 1.863 122.775 121.223 -0.518 0.000 2.275 360 L HA 0.619 4.959 4.340 -0.000 0.000 0.288 360 L C -1.552 175.156 176.870 -0.270 0.000 1.046 360 L CA -0.034 54.592 54.840 -0.358 0.000 0.805 360 L CB 0.133 42.128 42.059 -0.107 0.000 1.193 360 L HN 0.553 nan 8.230 nan 0.000 0.426 361 Y N 6.424 126.645 120.300 -0.131 0.000 2.587 361 Y HA 0.450 5.000 4.550 -0.000 0.000 0.328 361 Y C -2.046 173.834 175.900 -0.034 0.000 0.980 361 Y CA -2.502 55.558 58.100 -0.067 0.000 1.272 361 Y CB 0.644 39.064 38.460 -0.067 0.000 1.094 361 Y HN 0.583 nan 8.280 nan 0.000 0.503 362 P HA 0.090 nan 4.420 nan 0.000 0.271 362 P C 0.096 177.436 177.300 0.067 0.000 1.216 362 P CA -0.115 63.022 63.100 0.063 0.000 0.776 362 P CB 0.870 32.592 31.700 0.037 0.000 0.881 363 A N 0.000 122.853 122.820 0.054 0.000 2.254 363 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 363 A CA 0.000 52.063 52.037 0.043 0.000 0.836 363 A CB 0.000 19.020 19.000 0.033 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486