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 3itb_1_D DATA FIRST_RESID 2 DATA SEQUENCE AEQTVEAPSV DARAWILMDY ASGKVLAEGN ADEKLDPASL TKIMTSYVVG DATA SEQUENCE QALKADKIKL TDMVTVGKDA WATGNPALRG SSVMFLKPGD QVSVADLNKG DATA SEQUENCE VIIQSGNDAC IALADYVAGS QESFIGLMNG YAKKLGLTNT TFQTVHGLDA DATA SEQUENCE PGQFSTARDM ALLGKALIHD VPEEYAIHKE KEFTFNKIRQ PNRNRLLWSS DATA SEQUENCE NLNVDGMKTG TTAGAGYNLV ASATQGDMRL ISVVLGAKTD RIRFNESEKL DATA SEQUENCE LTWGFRFFET VTPIKPDATF VTQRVWFGDK SEVNLGAGEA GSVTIPRGQL DATA SEQUENCE KNLKASYTLT EPQLTAPLKK GQVVGTIDFQ LNGKSIEQRP LIVMENVEEG DATA SEQUENCE G 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.602 177.584 0.030 0.000 1.274 2 A CA 0.000 52.038 52.037 0.003 0.000 0.836 2 A CB 0.000 19.012 19.000 0.019 0.000 0.831 3 E N 0.488 120.711 120.200 0.038 0.000 2.568 3 E HA -0.041 4.308 4.350 -0.001 0.000 0.262 3 E C -0.291 176.385 176.600 0.126 0.000 0.961 3 E CA 0.663 57.109 56.400 0.076 0.000 0.945 3 E CB 0.620 30.349 29.700 0.048 0.000 0.924 3 E HN 0.513 nan 8.360 nan 0.000 0.467 4 Q N 2.810 122.678 119.800 0.113 0.000 2.280 4 Q HA 0.072 4.411 4.340 -0.001 0.000 0.228 4 Q C 1.397 177.459 176.000 0.103 0.000 0.857 4 Q CA 0.454 56.315 55.803 0.096 0.000 0.939 4 Q CB 0.638 29.412 28.738 0.061 0.000 1.114 4 Q HN 0.600 nan 8.270 nan 0.000 0.514 5 T N 0.348 114.976 114.554 0.123 0.000 2.732 5 T HA 0.018 4.367 4.350 -0.001 0.000 0.261 5 T C 0.973 175.725 174.700 0.085 0.000 1.040 5 T CA 0.612 62.768 62.100 0.092 0.000 1.145 5 T CB 0.140 69.061 68.868 0.088 0.000 0.866 5 T HN -0.065 nan 8.240 nan 0.000 0.427 6 V N 3.029 123.029 119.914 0.143 0.000 2.406 6 V HA 0.189 4.308 4.120 -0.001 0.000 0.272 6 V C 0.354 176.584 176.094 0.227 0.000 1.043 6 V CA -0.926 61.436 62.300 0.102 0.000 0.915 6 V CB 1.171 32.973 31.823 -0.035 0.000 0.988 6 V HN 0.324 nan 8.190 nan 0.000 0.466 7 E N 3.250 123.518 120.200 0.114 0.000 2.558 7 E HA 0.130 4.480 4.350 -0.001 0.000 0.255 7 E C 0.397 177.073 176.600 0.126 0.000 0.968 7 E CA 0.118 56.575 56.400 0.095 0.000 0.939 7 E CB 1.082 30.795 29.700 0.021 0.000 0.921 7 E HN 0.808 nan 8.360 nan 0.000 0.477 8 A N 5.887 128.726 122.820 0.031 0.000 2.351 8 A HA 0.408 4.727 4.320 -0.001 0.000 0.257 8 A C -1.996 175.337 177.584 -0.419 0.000 1.087 8 A CA -1.103 50.771 52.037 -0.272 0.000 0.798 8 A CB -0.110 18.800 19.000 -0.151 0.000 1.033 8 A HN 0.341 nan 8.150 nan 0.000 0.488 9 P HA 0.297 nan 4.420 nan 0.000 0.277 9 P C -0.351 176.733 177.300 -0.361 0.000 1.240 9 P CA -0.391 62.375 63.100 -0.555 0.000 0.798 9 P CB 0.687 31.949 31.700 -0.729 0.000 0.979 10 S N -0.028 115.510 115.700 -0.269 0.000 2.564 10 S HA 0.364 4.833 4.470 -0.001 0.000 0.278 10 S C 0.099 174.431 174.600 -0.447 0.000 1.333 10 S CA -0.471 57.572 58.200 -0.262 0.000 1.048 10 S CB 0.150 63.252 63.200 -0.164 0.000 0.900 10 S HN 0.473 nan 8.310 nan 0.000 0.505 11 V N 1.550 121.027 119.914 -0.728 0.000 2.789 11 V HA 0.552 4.672 4.120 -0.001 0.000 0.311 11 V C -1.010 174.709 176.094 -0.624 0.000 1.073 11 V CA -0.955 60.839 62.300 -0.844 0.000 0.921 11 V CB 2.201 33.247 31.823 -1.294 0.000 1.009 11 V HN 0.699 nan 8.190 nan 0.000 0.426 12 D N 4.114 124.306 120.400 -0.347 0.000 2.631 12 D HA 0.737 5.377 4.640 -0.001 0.000 0.227 12 D C -0.002 176.238 176.300 -0.099 0.000 1.146 12 D CA 0.955 54.854 54.000 -0.168 0.000 1.009 12 D CB 0.282 41.018 40.800 -0.106 0.000 1.057 12 D HN 1.195 nan 8.370 nan 0.000 0.509 13 A N 2.237 125.030 122.820 -0.044 0.000 2.586 13 A HA 0.412 4.731 4.320 -0.001 0.000 0.290 13 A C 0.883 178.600 177.584 0.221 0.000 1.086 13 A CA -0.686 51.402 52.037 0.086 0.000 0.665 13 A CB 1.076 20.134 19.000 0.097 0.000 1.279 13 A HN 0.230 nan 8.150 nan 0.000 0.423 14 R N -0.253 120.355 120.500 0.181 0.000 2.092 14 R HA 0.237 4.576 4.340 -0.001 0.000 0.231 14 R C 0.688 177.101 176.300 0.189 0.000 1.119 14 R CA 1.634 57.830 56.100 0.160 0.000 0.970 14 R CB -0.044 30.308 30.300 0.087 0.000 0.864 14 R HN 1.024 nan 8.270 nan 0.000 0.440 15 A N 0.050 123.016 122.820 0.244 0.000 2.604 15 A HA 0.543 4.863 4.320 -0.001 0.000 0.295 15 A C -1.987 175.782 177.584 0.309 0.000 1.067 15 A CA -0.822 51.278 52.037 0.105 0.000 0.683 15 A CB 0.859 19.852 19.000 -0.012 0.000 1.281 15 A HN 0.368 nan 8.150 nan 0.000 0.407 16 W N 0.148 121.438 121.300 -0.016 0.000 3.066 16 W HA 0.842 5.501 4.660 -0.001 0.000 0.330 16 W C -1.825 174.686 176.519 -0.015 0.000 1.253 16 W CA -0.841 56.496 57.345 -0.012 0.000 1.187 16 W CB 0.872 30.320 29.460 -0.019 0.000 1.434 16 W HN 0.810 nan 8.180 nan 0.000 0.572 17 I N 2.064 122.748 120.570 0.191 0.000 2.918 17 I HA 0.622 4.791 4.170 -0.001 0.000 0.301 17 I C -2.031 174.184 176.117 0.164 0.000 1.312 17 I CA -1.306 60.048 61.300 0.091 0.000 1.007 17 I CB 2.220 40.219 38.000 -0.001 0.000 1.281 17 I HN 0.654 nan 8.210 nan 0.000 0.440 18 L N 7.431 128.736 121.223 0.136 0.000 2.404 18 L HA 0.662 5.001 4.340 -0.001 0.000 0.272 18 L C -1.463 175.429 176.870 0.038 0.000 0.980 18 L CA -0.149 54.757 54.840 0.110 0.000 0.836 18 L CB 1.511 43.674 42.059 0.174 0.000 1.238 18 L HN 0.694 nan 8.230 nan 0.000 0.408 19 M N 3.772 123.379 119.600 0.011 0.000 2.530 19 M HA 0.417 4.897 4.480 -0.001 0.000 0.307 19 M C -1.351 174.932 176.300 -0.029 0.000 1.161 19 M CA -0.591 54.697 55.300 -0.021 0.000 0.903 19 M CB 1.895 34.492 32.600 -0.004 0.000 1.711 19 M HN 0.726 nan 8.290 nan 0.000 0.451 20 D N 2.123 122.489 120.400 -0.058 0.000 2.308 20 D HA 0.018 4.657 4.640 -0.001 0.000 0.251 20 D C -0.098 176.217 176.300 0.025 0.000 1.127 20 D CA 0.095 54.076 54.000 -0.031 0.000 0.876 20 D CB 1.033 41.789 40.800 -0.073 0.000 1.176 20 D HN 0.735 nan 8.370 nan 0.000 0.446 21 Y N 4.301 124.574 120.300 -0.045 0.000 2.184 21 Y HA -0.038 4.512 4.550 -0.001 0.000 0.290 21 Y C 1.887 177.762 175.900 -0.040 0.000 1.129 21 Y CA 1.973 60.050 58.100 -0.038 0.000 1.144 21 Y CB -0.112 38.337 38.460 -0.019 0.000 0.995 21 Y HN 0.495 nan 8.280 nan 0.000 0.513 22 A N -0.413 122.362 122.820 -0.076 0.000 1.898 22 A HA -0.088 4.231 4.320 -0.001 0.000 0.214 22 A C 2.388 179.860 177.584 -0.187 0.000 1.183 22 A CA 1.819 53.744 52.037 -0.186 0.000 0.622 22 A CB -1.185 17.803 19.000 -0.020 0.000 0.824 22 A HN 0.553 nan 8.150 nan 0.000 0.444 23 S N -2.135 113.488 115.700 -0.129 0.000 2.458 23 S HA 0.345 4.814 4.470 -0.001 0.000 0.223 23 S C 1.617 176.144 174.600 -0.122 0.000 1.019 23 S CA 1.252 59.376 58.200 -0.128 0.000 0.937 23 S CB -0.263 62.863 63.200 -0.123 0.000 0.788 23 S HN 1.911 nan 8.310 nan 0.000 0.511 24 G N 0.942 109.669 108.800 -0.122 0.000 2.184 24 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.264 24 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.264 24 G C 0.076 174.929 174.900 -0.079 0.000 0.975 24 G CA 0.451 45.490 45.100 -0.100 0.000 0.642 24 G HN 0.786 nan 8.290 nan 0.000 0.536 25 K N 0.852 121.200 120.400 -0.087 0.000 2.412 25 K HA 0.477 4.796 4.320 -0.001 0.000 0.281 25 K C 0.449 176.994 176.600 -0.092 0.000 1.027 25 K CA -0.155 56.080 56.287 -0.088 0.000 0.989 25 K CB 0.837 33.271 32.500 -0.110 0.000 0.935 25 K HN 0.183 nan 8.250 nan 0.000 0.475 26 V N 7.737 127.608 119.914 -0.073 0.000 2.406 26 V HA 0.123 4.242 4.120 -0.001 0.000 0.272 26 V C 1.062 177.115 176.094 -0.067 0.000 1.043 26 V CA -0.233 62.031 62.300 -0.059 0.000 0.915 26 V CB 0.910 32.707 31.823 -0.044 0.000 0.988 26 V HN 0.782 nan 8.190 nan 0.000 0.466 27 L N 3.944 125.125 121.223 -0.069 0.000 2.463 27 L HA 0.525 4.864 4.340 -0.001 0.000 0.219 27 L C 0.826 177.802 176.870 0.177 0.000 1.088 27 L CA 0.633 55.416 54.840 -0.096 0.000 0.849 27 L CB 0.272 42.161 42.059 -0.283 0.000 1.012 27 L HN 0.744 nan 8.230 nan 0.000 0.468 28 A N 0.686 123.595 122.820 0.148 0.000 2.577 28 A HA 0.638 4.958 4.320 -0.001 0.000 0.297 28 A C -1.272 176.375 177.584 0.105 0.000 1.060 28 A CA -0.491 51.638 52.037 0.154 0.000 0.697 28 A CB 1.391 20.467 19.000 0.127 0.000 1.281 28 A HN 0.151 nan 8.150 nan 0.000 0.402 29 E N 0.605 120.796 120.200 -0.014 0.000 2.407 29 E HA 0.680 5.030 4.350 -0.001 0.000 0.279 29 E C -0.472 175.580 176.600 -0.913 0.000 1.012 29 E CA -0.874 55.283 56.400 -0.404 0.000 0.800 29 E CB 1.885 31.424 29.700 -0.270 0.000 1.276 29 E HN 1.513 nan 8.360 nan 0.000 0.452 30 G N 1.272 109.065 108.800 -1.679 0.000 2.711 30 G HA2 0.370 4.329 3.960 -0.001 0.000 0.288 30 G HA3 0.370 4.329 3.960 -0.001 0.000 0.288 30 G C -0.438 173.856 174.900 -1.010 0.000 1.451 30 G CA -0.791 43.232 45.100 -1.796 0.000 1.186 30 G HN 0.517 nan 8.290 nan 0.000 0.560 31 N N -0.279 118.096 118.700 -0.542 0.000 2.721 31 N HA -0.243 4.497 4.740 -0.001 0.000 0.249 31 N C 1.467 176.818 175.510 -0.265 0.000 1.072 31 N CA 1.051 53.912 53.050 -0.315 0.000 0.710 31 N CB -0.817 37.532 38.487 -0.230 0.000 0.993 31 N HN 1.000 nan 8.380 nan 0.000 0.547 32 A N -0.696 121.952 122.820 -0.285 0.000 2.235 32 A HA -0.041 4.279 4.320 -0.001 0.000 0.208 32 A C 1.346 178.851 177.584 -0.132 0.000 1.172 32 A CA 0.808 52.722 52.037 -0.206 0.000 0.786 32 A CB 0.237 19.112 19.000 -0.208 0.000 0.804 32 A HN 0.243 nan 8.150 nan 0.000 0.479 33 D N -0.617 119.705 120.400 -0.130 0.000 2.433 33 D HA 0.046 4.686 4.640 -0.001 0.000 0.211 33 D C 0.197 176.431 176.300 -0.110 0.000 1.114 33 D CA -0.078 53.859 54.000 -0.105 0.000 0.837 33 D CB 0.204 40.944 40.800 -0.099 0.000 0.984 33 D HN 0.634 nan 8.370 nan 0.000 0.505 34 E N 2.024 122.156 120.200 -0.112 0.000 2.351 34 E HA 0.011 4.360 4.350 -0.001 0.000 0.266 34 E C -0.358 176.181 176.600 -0.102 0.000 1.031 34 E CA -0.145 56.190 56.400 -0.108 0.000 0.911 34 E CB 0.514 30.158 29.700 -0.094 0.000 0.986 34 E HN -0.125 nan 8.360 nan 0.000 0.446 35 K N 4.695 125.004 120.400 -0.152 0.000 2.402 35 K HA 0.170 4.489 4.320 -0.001 0.000 0.285 35 K C -0.435 176.122 176.600 -0.071 0.000 1.054 35 K CA 0.339 56.524 56.287 -0.171 0.000 1.001 35 K CB 0.383 32.603 32.500 -0.467 0.000 0.946 35 K HN 0.415 nan 8.250 nan 0.000 0.473 36 L N 1.293 122.525 121.223 0.016 0.000 2.359 36 L HA 0.305 4.644 4.340 -0.001 0.000 0.256 36 L C -0.492 176.431 176.870 0.089 0.000 1.026 36 L CA -1.306 53.559 54.840 0.042 0.000 0.828 36 L CB 1.783 43.858 42.059 0.027 0.000 1.406 36 L HN 0.511 nan 8.230 nan 0.000 0.413 37 D N 1.732 122.175 120.400 0.072 0.000 2.390 37 D HA 0.144 4.783 4.640 -0.001 0.000 0.249 37 D C -1.779 174.567 176.300 0.077 0.000 1.144 37 D CA -1.567 52.480 54.000 0.078 0.000 0.880 37 D CB 1.441 42.272 40.800 0.052 0.000 1.182 37 D HN 0.189 nan 8.370 nan 0.000 0.451 38 P HA 0.110 nan 4.420 nan 0.000 0.235 38 P C 0.501 177.868 177.300 0.112 0.000 1.177 38 P CA 0.799 63.970 63.100 0.118 0.000 0.785 38 P CB 0.071 31.877 31.700 0.178 0.000 0.885 39 A N 0.561 123.440 122.820 0.098 0.000 5.578 39 A HA -0.299 4.021 4.320 -0.001 0.000 0.312 39 A C 1.875 179.526 177.584 0.112 0.000 1.861 39 A CA 1.882 53.971 52.037 0.085 0.000 0.719 39 A CB -2.365 16.663 19.000 0.046 0.000 1.323 39 A HN 0.183 nan 8.150 nan 0.000 0.387 40 S N -0.035 115.723 115.700 0.097 0.000 2.547 40 S HA 0.049 4.518 4.470 -0.001 0.000 0.235 40 S C 1.588 176.261 174.600 0.121 0.000 0.980 40 S CA 1.234 59.498 58.200 0.108 0.000 0.941 40 S CB -0.659 62.599 63.200 0.096 0.000 0.763 40 S HN 0.494 nan 8.310 nan 0.000 0.532 41 L N 0.795 122.096 121.223 0.131 0.000 2.265 41 L HA -0.102 4.237 4.340 -0.001 0.000 0.215 41 L C 2.391 179.360 176.870 0.166 0.000 1.117 41 L CA 0.889 55.817 54.840 0.146 0.000 0.782 41 L CB -1.222 40.924 42.059 0.146 0.000 0.914 41 L HN 0.268 nan 8.230 nan 0.000 0.441 42 T N -0.177 114.487 114.554 0.184 0.000 2.778 42 T HA -0.213 4.136 4.350 -0.001 0.000 0.269 42 T C 1.787 176.471 174.700 -0.026 0.000 1.050 42 T CA 1.336 63.512 62.100 0.126 0.000 1.137 42 T CB -0.131 68.837 68.868 0.168 0.000 0.860 42 T HN 0.367 nan 8.240 nan 0.000 0.468 43 K N 0.431 120.862 120.400 0.052 0.000 2.439 43 K HA 0.171 4.491 4.320 -0.001 0.000 0.197 43 K C 1.943 178.601 176.600 0.095 0.000 1.041 43 K CA 0.373 56.693 56.287 0.055 0.000 0.970 43 K CB -0.176 32.368 32.500 0.074 0.000 0.773 43 K HN 0.382 nan 8.250 nan 0.000 0.479 44 I N 0.588 121.223 120.570 0.109 0.000 2.163 44 I HA -0.320 3.849 4.170 -0.001 0.000 0.243 44 I C 2.432 178.597 176.117 0.081 0.000 1.085 44 I CA 1.173 62.547 61.300 0.123 0.000 1.347 44 I CB -0.195 37.870 38.000 0.108 0.000 1.044 44 I HN 0.227 nan 8.210 nan 0.000 0.408 45 M N 0.614 120.185 119.600 -0.048 0.000 2.229 45 M HA -0.124 4.356 4.480 -0.001 0.000 0.264 45 M C 2.183 178.483 176.300 0.000 0.000 1.063 45 M CA 1.950 57.175 55.300 -0.124 0.000 1.114 45 M CB -0.703 31.556 32.600 -0.569 0.000 1.387 45 M HN 0.068 nan 8.290 nan 0.000 0.420 46 T N -0.197 114.375 114.554 0.030 0.000 2.746 46 T HA -0.115 4.235 4.350 -0.001 0.000 0.267 46 T C 1.893 176.734 174.700 0.236 0.000 1.039 46 T CA 1.894 64.132 62.100 0.230 0.000 1.142 46 T CB -0.561 68.368 68.868 0.103 0.000 0.866 46 T HN 0.684 nan 8.240 nan 0.000 0.444 47 S N 0.512 116.308 115.700 0.160 0.000 2.428 47 S HA -0.088 4.381 4.470 -0.001 0.000 0.230 47 S C 1.890 176.561 174.600 0.119 0.000 1.014 47 S CA 0.391 58.682 58.200 0.153 0.000 0.957 47 S CB -0.766 62.561 63.200 0.211 0.000 0.784 47 S HN 0.546 nan 8.310 nan 0.000 0.499 48 Y N 2.416 122.715 120.300 -0.003 0.000 2.128 48 Y HA -0.133 4.416 4.550 -0.001 0.000 0.284 48 Y C 2.338 178.134 175.900 -0.173 0.000 1.154 48 Y CA 1.916 59.952 58.100 -0.108 0.000 1.149 48 Y CB -0.531 37.827 38.460 -0.170 0.000 0.976 48 Y HN 0.168 nan 8.280 nan 0.000 0.505 49 V N -1.259 118.646 119.914 -0.015 0.000 2.307 49 V HA -0.274 3.846 4.120 -0.001 0.000 0.245 49 V C 2.320 178.407 176.094 -0.012 0.000 1.045 49 V CA 1.599 63.844 62.300 -0.092 0.000 1.024 49 V CB -0.842 30.829 31.823 -0.254 0.000 0.651 49 V HN 0.314 nan 8.190 nan 0.000 0.449 50 V N 1.173 121.168 119.914 0.134 0.000 2.332 50 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 50 V C 2.668 178.765 176.094 0.006 0.000 1.055 50 V CA 2.298 64.671 62.300 0.121 0.000 1.038 50 V CB -1.500 30.399 31.823 0.127 0.000 0.651 50 V HN 0.617 nan 8.190 nan 0.000 0.450 51 G N -1.174 107.588 108.800 -0.063 0.000 2.440 51 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 51 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 51 G C 1.511 176.305 174.900 -0.176 0.000 1.154 51 G CA 0.604 45.631 45.100 -0.123 0.000 0.767 51 G HN 0.451 nan 8.290 nan 0.000 0.552 52 Q N 0.340 119.976 119.800 -0.273 0.000 2.119 52 Q HA 0.043 4.382 4.340 -0.001 0.000 0.201 52 Q C 2.980 178.929 176.000 -0.086 0.000 0.972 52 Q CA 1.294 56.954 55.803 -0.238 0.000 0.847 52 Q CB -0.566 27.987 28.738 -0.309 0.000 0.903 52 Q HN 0.458 nan 8.270 nan 0.000 0.433 53 A N 0.608 123.401 122.820 -0.045 0.000 1.930 53 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 53 A C 2.228 179.809 177.584 -0.005 0.000 1.175 53 A CA 0.963 52.997 52.037 -0.004 0.000 0.627 53 A CB -0.591 18.425 19.000 0.027 0.000 0.815 53 A HN 0.298 nan 8.150 nan 0.000 0.443 54 L N -0.928 120.289 121.223 -0.010 0.000 2.072 54 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 54 L C 2.579 179.439 176.870 -0.016 0.000 1.079 54 L CA 1.737 56.575 54.840 -0.003 0.000 0.752 54 L CB -0.336 41.720 42.059 -0.005 0.000 0.906 54 L HN 0.379 nan 8.230 nan 0.000 0.436 55 K N 0.279 120.656 120.400 -0.039 0.000 2.209 55 K HA -0.114 4.205 4.320 -0.001 0.000 0.204 55 K C 1.686 178.272 176.600 -0.024 0.000 1.048 55 K CA 1.157 57.421 56.287 -0.039 0.000 0.940 55 K CB 0.040 32.500 32.500 -0.067 0.000 0.729 55 K HN 0.291 nan 8.250 nan 0.000 0.451 56 A N 0.328 123.137 122.820 -0.019 0.000 2.308 56 A HA 0.093 4.412 4.320 -0.001 0.000 0.217 56 A C -0.177 177.404 177.584 -0.004 0.000 1.216 56 A CA 0.546 52.578 52.037 -0.008 0.000 0.864 56 A CB 0.044 19.043 19.000 -0.001 0.000 0.902 56 A HN 0.542 nan 8.150 nan 0.000 0.499 57 D N -1.595 118.804 120.400 -0.002 0.000 2.981 57 D HA -0.137 4.503 4.640 -0.001 0.000 0.223 57 D C 1.073 177.375 176.300 0.004 0.000 1.151 57 D CA 1.080 55.082 54.000 0.004 0.000 0.827 57 D CB -0.217 40.585 40.800 0.004 0.000 1.101 57 D HN 0.288 nan 8.370 nan 0.000 0.426 58 K N -0.318 120.081 120.400 -0.002 0.000 2.243 58 K HA 0.199 4.518 4.320 -0.001 0.000 0.201 58 K C 1.288 177.877 176.600 -0.018 0.000 1.051 58 K CA 0.742 57.019 56.287 -0.016 0.000 0.970 58 K CB 0.180 32.664 32.500 -0.027 0.000 0.755 58 K HN 0.657 nan 8.250 nan 0.000 0.465 59 I N -2.879 117.701 120.570 0.016 0.000 3.042 59 I HA 0.446 4.615 4.170 -0.001 0.000 0.310 59 I C -1.161 175.008 176.117 0.085 0.000 1.117 59 I CA -1.118 60.230 61.300 0.080 0.000 1.003 59 I CB 2.498 40.583 38.000 0.141 0.000 1.228 59 I HN -0.289 nan 8.210 nan 0.000 0.443 60 K N 2.353 122.823 120.400 0.116 0.000 2.385 60 K HA 0.515 4.834 4.320 -0.001 0.000 0.248 60 K C 0.327 176.965 176.600 0.062 0.000 0.955 60 K CA -0.817 55.512 56.287 0.071 0.000 0.816 60 K CB 2.749 35.283 32.500 0.056 0.000 1.250 60 K HN 0.628 nan 8.250 nan 0.000 0.434 61 L N 0.707 121.949 121.223 0.033 0.000 2.079 61 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 61 L C 2.184 179.059 176.870 0.009 0.000 1.081 61 L CA 1.828 56.677 54.840 0.015 0.000 0.752 61 L CB -0.603 41.460 42.059 0.006 0.000 0.896 61 L HN 0.838 nan 8.230 nan 0.000 0.433 62 T N -4.901 109.663 114.554 0.016 0.000 3.113 62 T HA 0.004 4.353 4.350 -0.001 0.000 0.256 62 T C 0.601 175.301 174.700 0.001 0.000 1.131 62 T CA -0.311 61.796 62.100 0.010 0.000 1.074 62 T CB -0.402 68.475 68.868 0.015 0.000 0.944 62 T HN 0.050 nan 8.240 nan 0.000 0.516 63 D N 2.046 122.451 120.400 0.008 0.000 2.488 63 D HA 0.220 4.860 4.640 -0.001 0.000 0.238 63 D C -0.245 175.978 176.300 -0.129 0.000 1.138 63 D CA 0.278 54.268 54.000 -0.016 0.000 0.873 63 D CB 0.444 41.294 40.800 0.084 0.000 1.183 63 D HN 0.156 nan 8.370 nan 0.000 0.458 64 M N 2.329 121.846 119.600 -0.138 0.000 2.113 64 M HA 0.206 4.685 4.480 -0.001 0.000 0.352 64 M C -0.677 175.449 176.300 -0.290 0.000 1.170 64 M CA -0.967 54.238 55.300 -0.158 0.000 1.053 64 M CB 1.400 33.955 32.600 -0.074 0.000 1.601 64 M HN 0.138 nan 8.290 nan 0.000 0.459 65 V N 4.310 124.015 119.914 -0.349 0.000 2.483 65 V HA 0.662 4.781 4.120 -0.001 0.000 0.295 65 V C -0.247 175.742 176.094 -0.175 0.000 1.035 65 V CA -0.290 61.770 62.300 -0.401 0.000 0.896 65 V CB 1.739 33.196 31.823 -0.610 0.000 0.986 65 V HN 0.848 nan 8.190 nan 0.000 0.447 66 T N 6.098 120.587 114.554 -0.108 0.000 2.794 66 T HA 0.376 4.726 4.350 -0.001 0.000 0.296 66 T C 0.005 174.669 174.700 -0.060 0.000 0.949 66 T CA -0.103 61.959 62.100 -0.064 0.000 1.101 66 T CB 1.018 69.865 68.868 -0.033 0.000 0.905 66 T HN 0.681 nan 8.240 nan 0.000 0.516 67 V N 3.765 123.635 119.914 -0.072 0.000 2.572 67 V HA 0.444 4.564 4.120 -0.001 0.000 0.291 67 V C 1.107 177.145 176.094 -0.094 0.000 1.039 67 V CA -0.145 62.106 62.300 -0.082 0.000 1.055 67 V CB 0.906 32.669 31.823 -0.100 0.000 0.969 67 V HN 1.032 nan 8.190 nan 0.000 0.482 68 G N 3.269 112.031 108.800 -0.064 0.000 2.488 68 G HA2 0.385 4.344 3.960 -0.001 0.000 0.318 68 G HA3 0.385 4.344 3.960 -0.001 0.000 0.318 68 G C 0.513 175.382 174.900 -0.051 0.000 1.188 68 G CA -0.646 44.427 45.100 -0.044 0.000 0.944 68 G HN 0.704 nan 8.290 nan 0.000 0.495 69 K N -0.432 119.968 120.400 -0.001 0.000 2.281 69 K HA -0.125 4.195 4.320 -0.001 0.000 0.203 69 K C 1.831 178.547 176.600 0.193 0.000 1.046 69 K CA 1.639 57.986 56.287 0.100 0.000 0.938 69 K CB 0.129 32.709 32.500 0.134 0.000 0.737 69 K HN 0.628 nan 8.250 nan 0.000 0.458 70 D N -0.311 120.160 120.400 0.117 0.000 2.371 70 D HA -0.104 4.535 4.640 -0.001 0.000 0.221 70 D C 0.984 177.368 176.300 0.140 0.000 0.986 70 D CA 0.691 54.765 54.000 0.123 0.000 0.899 70 D CB 0.015 40.862 40.800 0.079 0.000 0.902 70 D HN 0.115 nan 8.370 nan 0.000 0.530 71 A N -0.427 122.475 122.820 0.136 0.000 2.423 71 A HA 0.387 4.706 4.320 -0.001 0.000 0.246 71 A C -0.285 177.426 177.584 0.212 0.000 1.278 71 A CA -0.565 51.536 52.037 0.107 0.000 0.903 71 A CB -0.349 18.663 19.000 0.019 0.000 0.997 71 A HN 0.394 nan 8.150 nan 0.000 0.510 72 W N -3.739 117.555 121.300 -0.009 0.000 3.031 72 W HA 0.692 5.352 4.660 -0.001 0.000 0.337 72 W C 0.405 176.909 176.519 -0.024 0.000 1.187 72 W CA -1.385 55.947 57.345 -0.022 0.000 1.166 72 W CB 0.966 30.425 29.460 -0.003 0.000 1.437 72 W HN 0.032 nan 8.180 nan 0.000 0.551 73 A N 1.117 123.912 122.820 -0.042 0.000 1.972 73 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 73 A C 1.731 179.119 177.584 -0.327 0.000 1.169 73 A CA 2.586 54.524 52.037 -0.166 0.000 0.635 73 A CB -1.065 17.842 19.000 -0.155 0.000 0.810 73 A HN 0.739 nan 8.150 nan 0.000 0.446 74 T N -0.372 113.735 114.554 -0.745 0.000 2.708 74 T HA -0.062 4.287 4.350 -0.001 0.000 0.266 74 T C 1.844 176.305 174.700 -0.399 0.000 1.037 74 T CA 1.598 63.235 62.100 -0.772 0.000 1.146 74 T CB -0.465 67.544 68.868 -1.431 0.000 0.865 74 T HN 0.572 nan 8.240 nan 0.000 0.435 75 G N 0.441 109.080 108.800 -0.269 0.000 2.777 75 G HA2 0.001 3.960 3.960 -0.001 0.000 0.211 75 G HA3 0.001 3.960 3.960 -0.001 0.000 0.211 75 G C 0.592 175.535 174.900 0.072 0.000 1.149 75 G CA -0.074 45.084 45.100 0.095 0.000 0.785 75 G HN 0.397 nan 8.290 nan 0.000 0.536 76 N N -0.305 118.409 118.700 0.024 0.000 2.707 76 N HA 0.304 5.043 4.740 -0.001 0.000 0.249 76 N C -2.230 173.269 175.510 -0.018 0.000 1.299 76 N CA -1.734 51.335 53.050 0.032 0.000 0.769 76 N CB 1.880 40.415 38.487 0.080 0.000 1.236 76 N HN -0.232 nan 8.380 nan 0.000 0.524 77 P HA -0.081 nan 4.420 nan 0.000 0.218 77 P C 0.915 178.188 177.300 -0.046 0.000 1.146 77 P CA 1.021 64.093 63.100 -0.048 0.000 0.813 77 P CB 0.320 31.999 31.700 -0.035 0.000 0.778 78 A N -0.924 121.876 122.820 -0.032 0.000 2.121 78 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 78 A C 1.964 179.492 177.584 -0.093 0.000 1.154 78 A CA 0.971 52.978 52.037 -0.050 0.000 0.679 78 A CB -1.415 17.568 19.000 -0.029 0.000 0.795 78 A HN 0.176 nan 8.150 nan 0.000 0.458 79 L N -0.757 120.416 121.223 -0.084 0.000 2.478 79 L HA 0.012 4.352 4.340 -0.001 0.000 0.223 79 L C 1.476 178.290 176.870 -0.093 0.000 1.140 79 L CA -0.017 54.762 54.840 -0.101 0.000 0.842 79 L CB -0.332 41.688 42.059 -0.065 0.000 0.953 79 L HN 0.371 nan 8.230 nan 0.000 0.452 80 R N 0.660 121.111 120.500 -0.081 0.000 2.522 80 R HA 0.179 4.518 4.340 -0.001 0.000 0.284 80 R C 1.082 177.344 176.300 -0.063 0.000 1.032 80 R CA 0.973 57.028 56.100 -0.075 0.000 1.049 80 R CB 0.308 30.569 30.300 -0.066 0.000 0.956 80 R HN 0.248 nan 8.270 nan 0.000 0.422 81 G N 2.238 111.004 108.800 -0.056 0.000 2.179 81 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.260 81 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.260 81 G C -0.081 174.793 174.900 -0.043 0.000 0.977 81 G CA 0.336 45.412 45.100 -0.040 0.000 0.641 81 G HN 0.632 nan 8.290 nan 0.000 0.533 82 S N -0.391 115.270 115.700 -0.066 0.000 2.632 82 S HA 0.634 5.104 4.470 -0.001 0.000 0.267 82 S C 0.691 175.255 174.600 -0.060 0.000 1.276 82 S CA 0.394 58.556 58.200 -0.064 0.000 0.998 82 S CB 1.573 64.718 63.200 -0.091 0.000 0.953 82 S HN 0.709 nan 8.310 nan 0.000 0.547 83 S N 0.724 116.405 115.700 -0.031 0.000 2.564 83 S HA 0.541 5.011 4.470 -0.001 0.000 0.278 83 S C -0.665 173.900 174.600 -0.058 0.000 1.333 83 S CA -0.370 57.818 58.200 -0.020 0.000 1.048 83 S CB 0.069 63.287 63.200 0.030 0.000 0.900 83 S HN 0.459 nan 8.310 nan 0.000 0.505 84 V N 5.265 125.118 119.914 -0.102 0.000 3.178 84 V HA 0.328 4.448 4.120 -0.001 0.000 0.302 84 V C -0.075 175.944 176.094 -0.125 0.000 1.262 84 V CA -0.682 61.514 62.300 -0.173 0.000 1.030 84 V CB 2.275 33.888 31.823 -0.349 0.000 1.074 84 V HN 0.991 nan 8.190 nan 0.000 0.438 85 M N 2.300 121.886 119.600 -0.023 0.000 2.404 85 M HA 0.383 4.862 4.480 -0.001 0.000 0.271 85 M C -0.216 176.310 176.300 0.376 0.000 1.128 85 M CA 0.144 55.565 55.300 0.201 0.000 0.982 85 M CB 0.100 32.740 32.600 0.067 0.000 1.445 85 M HN 0.674 nan 8.290 nan 0.000 0.495 86 F N -0.027 120.027 119.950 0.173 0.000 3.027 86 F HA -0.235 4.292 4.527 -0.001 0.000 0.276 86 F C -0.515 175.391 175.800 0.177 0.000 0.967 86 F CA -0.215 57.892 58.000 0.178 0.000 0.929 86 F CB -1.654 37.431 39.000 0.141 0.000 0.873 86 F HN 0.038 nan 8.300 nan 0.000 0.787 87 L N 1.376 122.735 121.223 0.226 0.000 2.367 87 L HA 0.344 4.683 4.340 -0.001 0.000 0.275 87 L C 0.387 177.265 176.870 0.012 0.000 1.129 87 L CA -0.323 54.591 54.840 0.123 0.000 0.839 87 L CB 0.939 43.033 42.059 0.058 0.000 1.133 87 L HN 0.204 nan 8.230 nan 0.000 0.453 88 K N 3.817 124.121 120.400 -0.161 0.000 2.316 88 K HA 0.694 5.013 4.320 -0.001 0.000 0.251 88 K C -2.665 173.600 176.600 -0.558 0.000 0.934 88 K CA -2.082 53.832 56.287 -0.623 0.000 0.802 88 K CB 0.780 32.971 32.500 -0.515 0.000 1.171 88 K HN 0.151 nan 8.250 nan 0.000 0.426 89 P HA -0.127 nan 4.420 nan 0.000 0.264 89 P C 0.788 177.929 177.300 -0.266 0.000 1.173 89 P CA 1.630 64.470 63.100 -0.433 0.000 0.761 89 P CB 0.426 31.875 31.700 -0.418 0.000 0.794 90 G N 2.207 110.910 108.800 -0.161 0.000 2.358 90 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.224 90 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.224 90 G C -0.096 174.753 174.900 -0.086 0.000 1.073 90 G CA -0.088 44.949 45.100 -0.106 0.000 0.635 90 G HN 0.534 nan 8.290 nan 0.000 0.509 91 D N 2.186 122.528 120.400 -0.098 0.000 2.506 91 D HA 0.359 4.998 4.640 -0.001 0.000 0.234 91 D C 0.640 176.917 176.300 -0.037 0.000 1.143 91 D CA 0.711 54.680 54.000 -0.052 0.000 0.871 91 D CB 0.474 41.258 40.800 -0.026 0.000 1.190 91 D HN 0.339 nan 8.370 nan 0.000 0.459 92 Q N 1.094 120.883 119.800 -0.019 0.000 2.314 92 Q HA 0.464 4.804 4.340 -0.001 0.000 0.259 92 Q C -0.667 175.343 176.000 0.015 0.000 0.951 92 Q CA -0.667 55.123 55.803 -0.022 0.000 0.909 92 Q CB 1.985 30.708 28.738 -0.024 0.000 1.236 92 Q HN 0.140 nan 8.270 nan 0.000 0.444 93 V N 1.197 121.112 119.914 0.001 0.000 2.656 93 V HA 0.268 4.388 4.120 -0.001 0.000 0.307 93 V C 0.359 176.440 176.094 -0.021 0.000 1.051 93 V CA -0.854 61.479 62.300 0.055 0.000 0.893 93 V CB 2.142 34.007 31.823 0.069 0.000 0.999 93 V HN 0.765 nan 8.190 nan 0.000 0.426 94 S N 2.038 117.752 115.700 0.023 0.000 2.571 94 S HA 0.000 4.470 4.470 -0.001 0.000 0.298 94 S C 1.385 175.942 174.600 -0.072 0.000 1.280 94 S CA -0.085 58.106 58.200 -0.015 0.000 1.052 94 S CB 0.870 64.094 63.200 0.041 0.000 0.799 94 S HN 0.565 nan 8.310 nan 0.000 0.501 95 V N 4.671 124.528 119.914 -0.096 0.000 2.282 95 V HA -0.305 3.815 4.120 -0.001 0.000 0.249 95 V C 2.472 178.530 176.094 -0.059 0.000 1.057 95 V CA 2.410 64.666 62.300 -0.075 0.000 1.032 95 V CB -1.262 30.553 31.823 -0.014 0.000 0.645 95 V HN 1.022 nan 8.190 nan 0.000 0.447 96 A N -0.283 122.514 122.820 -0.037 0.000 1.917 96 A HA -0.301 4.018 4.320 -0.001 0.000 0.219 96 A C 2.014 179.551 177.584 -0.078 0.000 1.182 96 A CA 2.310 54.320 52.037 -0.044 0.000 0.633 96 A CB -0.676 18.319 19.000 -0.009 0.000 0.819 96 A HN 0.570 nan 8.150 nan 0.000 0.448 97 D N -0.438 119.943 120.400 -0.031 0.000 2.117 97 D HA -0.083 4.557 4.640 -0.001 0.000 0.198 97 D C 1.840 178.011 176.300 -0.214 0.000 0.982 97 D CA 0.760 54.742 54.000 -0.030 0.000 0.828 97 D CB -0.283 40.578 40.800 0.101 0.000 0.967 97 D HN 0.219 nan 8.370 nan 0.000 0.464 98 L N 1.182 122.290 121.223 -0.192 0.000 2.083 98 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 98 L C 1.986 178.730 176.870 -0.209 0.000 1.083 98 L CA 1.306 56.024 54.840 -0.203 0.000 0.752 98 L CB -1.469 40.501 42.059 -0.148 0.000 0.899 98 L HN 0.043 nan 8.230 nan 0.000 0.433 99 N N 0.172 118.759 118.700 -0.189 0.000 2.120 99 N HA -0.189 4.550 4.740 -0.001 0.000 0.188 99 N C 1.734 177.064 175.510 -0.299 0.000 1.024 99 N CA 1.424 54.364 53.050 -0.184 0.000 0.852 99 N CB 0.080 38.491 38.487 -0.127 0.000 1.003 99 N HN 0.297 nan 8.380 nan 0.000 0.424 100 K N -0.854 119.271 120.400 -0.458 0.000 2.217 100 K HA 0.065 4.384 4.320 -0.001 0.000 0.202 100 K C 2.007 178.106 176.600 -0.836 0.000 1.051 100 K CA 0.933 56.768 56.287 -0.753 0.000 0.952 100 K CB -0.234 31.565 32.500 -1.169 0.000 0.736 100 K HN 0.243 nan 8.250 nan 0.000 0.453 101 G N 1.330 109.749 108.800 -0.635 0.000 2.418 101 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 101 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 101 G C 1.581 176.376 174.900 -0.175 0.000 1.158 101 G CA 0.989 45.923 45.100 -0.278 0.000 0.771 101 G HN 0.257 nan 8.290 nan 0.000 0.545 102 V N 0.242 120.047 119.914 -0.182 0.000 2.358 102 V HA -0.052 4.067 4.120 -0.001 0.000 0.246 102 V C 2.548 178.565 176.094 -0.128 0.000 1.047 102 V CA 1.821 64.052 62.300 -0.115 0.000 1.035 102 V CB -0.307 31.465 31.823 -0.087 0.000 0.658 102 V HN 0.398 nan 8.190 nan 0.000 0.452 103 I N -0.386 120.044 120.570 -0.234 0.000 2.235 103 I HA -0.079 4.091 4.170 -0.001 0.000 0.241 103 I C 2.404 178.358 176.117 -0.271 0.000 1.085 103 I CA 1.966 63.056 61.300 -0.350 0.000 1.378 103 I CB -0.146 37.509 38.000 -0.576 0.000 1.076 103 I HN 0.261 nan 8.210 nan 0.000 0.415 104 I N -0.167 120.253 120.570 -0.251 0.000 2.296 104 I HA -0.210 3.959 4.170 -0.001 0.000 0.242 104 I C 2.499 178.633 176.117 0.029 0.000 1.087 104 I CA 1.118 62.353 61.300 -0.108 0.000 1.393 104 I CB -0.258 37.674 38.000 -0.112 0.000 1.093 104 I HN 0.239 nan 8.210 nan 0.000 0.421 105 Q N 0.665 120.494 119.800 0.048 0.000 2.331 105 Q HA -0.026 4.313 4.340 -0.001 0.000 0.203 105 Q C 0.479 176.525 176.000 0.076 0.000 0.944 105 Q CA 0.372 56.251 55.803 0.127 0.000 0.892 105 Q CB 0.532 29.397 28.738 0.212 0.000 0.983 105 Q HN 0.340 nan 8.270 nan 0.000 0.482 106 S N 0.049 115.767 115.700 0.030 0.000 3.631 106 S HA -0.169 4.300 4.470 -0.001 0.000 0.366 106 S C 0.116 174.733 174.600 0.028 0.000 0.993 106 S CA 0.260 58.479 58.200 0.032 0.000 1.167 106 S CB -1.588 61.650 63.200 0.063 0.000 0.909 106 S HN 0.669 nan 8.310 nan 0.000 0.478 107 G N 1.035 109.843 108.800 0.013 0.000 2.354 107 G HA2 0.305 4.264 3.960 -0.001 0.000 0.266 107 G HA3 0.305 4.264 3.960 -0.001 0.000 0.266 107 G C 0.792 175.691 174.900 -0.002 0.000 1.242 107 G CA -0.493 44.609 45.100 0.003 0.000 0.923 107 G HN 0.403 nan 8.290 nan 0.000 0.476 108 N N 2.022 120.717 118.700 -0.009 0.000 2.166 108 N HA -0.136 4.604 4.740 -0.001 0.000 0.186 108 N C 1.958 177.490 175.510 0.037 0.000 1.019 108 N CA 1.546 54.600 53.050 0.006 0.000 0.856 108 N CB 0.003 38.416 38.487 -0.124 0.000 0.993 108 N HN 0.753 nan 8.380 nan 0.000 0.426 109 D N 0.763 121.162 120.400 -0.001 0.000 2.117 109 D HA -0.075 4.564 4.640 -0.001 0.000 0.197 109 D C 1.714 178.005 176.300 -0.016 0.000 0.987 109 D CA 1.316 55.321 54.000 0.009 0.000 0.829 109 D CB -0.747 40.056 40.800 0.005 0.000 0.961 109 D HN 0.157 nan 8.370 nan 0.000 0.460 110 A N 0.508 123.302 122.820 -0.043 0.000 1.940 110 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 110 A C 2.584 180.113 177.584 -0.091 0.000 1.176 110 A CA 1.618 53.606 52.037 -0.082 0.000 0.631 110 A CB -1.142 17.790 19.000 -0.113 0.000 0.814 110 A HN 0.476 nan 8.150 nan 0.000 0.446 111 C N -0.725 118.534 119.300 -0.068 0.000 2.413 111 C HA -0.117 4.342 4.460 -0.001 0.000 0.276 111 C C 2.543 177.421 174.990 -0.186 0.000 1.236 111 C CA 1.025 59.967 59.018 -0.127 0.000 1.735 111 C CB -1.410 26.292 27.740 -0.063 0.000 2.031 111 C HN 0.640 nan 8.230 nan 0.000 0.474 112 I N 1.514 122.038 120.570 -0.078 0.000 2.202 112 I HA -0.191 3.979 4.170 -0.001 0.000 0.242 112 I C 2.794 178.857 176.117 -0.089 0.000 1.091 112 I CA 1.655 62.909 61.300 -0.077 0.000 1.368 112 I CB -0.623 37.392 38.000 0.025 0.000 1.058 112 I HN 0.265 nan 8.210 nan 0.000 0.410 113 A N 0.415 123.197 122.820 -0.063 0.000 1.940 113 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 113 A C 2.213 179.768 177.584 -0.048 0.000 1.176 113 A CA 1.554 53.560 52.037 -0.051 0.000 0.631 113 A CB -0.672 18.293 19.000 -0.058 0.000 0.814 113 A HN 0.342 nan 8.150 nan 0.000 0.446 114 L N -0.700 120.466 121.223 -0.095 0.000 2.131 114 L HA 0.084 4.424 4.340 -0.001 0.000 0.206 114 L C 2.807 179.596 176.870 -0.135 0.000 1.087 114 L CA 1.677 56.478 54.840 -0.066 0.000 0.767 114 L CB -1.172 40.823 42.059 -0.106 0.000 0.917 114 L HN 0.375 nan 8.230 nan 0.000 0.441 115 A N -0.542 122.036 122.820 -0.403 0.000 1.865 115 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 115 A C 2.009 179.531 177.584 -0.102 0.000 1.191 115 A CA 2.045 53.718 52.037 -0.607 0.000 0.623 115 A CB -0.816 17.731 19.000 -0.754 0.000 0.826 115 A HN 0.449 nan 8.150 nan 0.000 0.444 116 D N -1.714 118.658 120.400 -0.046 0.000 2.104 116 D HA -0.182 4.457 4.640 -0.001 0.000 0.194 116 D C 1.728 178.091 176.300 0.105 0.000 0.994 116 D CA 1.755 55.779 54.000 0.040 0.000 0.830 116 D CB -0.539 40.283 40.800 0.037 0.000 0.959 116 D HN 0.570 nan 8.370 nan 0.000 0.452 117 Y N 1.645 121.935 120.300 -0.017 0.000 2.114 117 Y HA -0.227 4.322 4.550 -0.001 0.000 0.284 117 Y C 2.299 178.223 175.900 0.041 0.000 1.143 117 Y CA 1.692 59.795 58.100 0.006 0.000 1.135 117 Y CB -0.559 37.895 38.460 -0.008 0.000 0.980 117 Y HN -0.047 nan 8.280 nan 0.000 0.499 118 V N -1.685 118.239 119.914 0.017 0.000 2.427 118 V HA 0.014 4.133 4.120 -0.001 0.000 0.248 118 V C 1.855 177.960 176.094 0.018 0.000 1.051 118 V CA 1.875 64.162 62.300 -0.023 0.000 1.048 118 V CB -1.266 30.682 31.823 0.209 0.000 0.666 118 V HN 0.404 nan 8.190 nan 0.000 0.456 119 A N -1.400 121.489 122.820 0.116 0.000 2.508 119 A HA 0.620 4.939 4.320 -0.001 0.000 0.250 119 A C 1.890 179.512 177.584 0.064 0.000 1.208 119 A CA 0.947 53.050 52.037 0.110 0.000 0.960 119 A CB 0.439 19.574 19.000 0.225 0.000 1.099 119 A HN 1.579 nan 8.150 nan 0.000 0.542 120 G N -0.229 108.598 108.800 0.045 0.000 2.320 120 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.242 120 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.242 120 G C 0.474 175.403 174.900 0.048 0.000 1.033 120 G CA 0.829 45.951 45.100 0.037 0.000 0.620 120 G HN 2.169 nan 8.290 nan 0.000 0.517 121 S N -1.885 113.853 115.700 0.064 0.000 2.587 121 S HA 0.613 5.082 4.470 -0.001 0.000 0.269 121 S C 0.311 174.955 174.600 0.073 0.000 1.154 121 S CA 0.388 58.621 58.200 0.055 0.000 0.824 121 S CB 1.315 64.543 63.200 0.046 0.000 1.118 121 S HN 0.208 nan 8.310 nan 0.000 0.462 122 Q N 0.414 120.240 119.800 0.044 0.000 2.079 122 Q HA -0.115 4.224 4.340 -0.001 0.000 0.200 122 Q C 1.382 177.435 176.000 0.088 0.000 0.974 122 Q CA 2.089 57.917 55.803 0.041 0.000 0.840 122 Q CB -0.301 28.431 28.738 -0.009 0.000 0.898 122 Q HN 0.797 nan 8.270 nan 0.000 0.430 123 E N 0.248 120.485 120.200 0.062 0.000 2.058 123 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 123 E C 1.983 178.622 176.600 0.064 0.000 0.997 123 E CA 1.461 57.894 56.400 0.055 0.000 0.801 123 E CB -0.378 29.344 29.700 0.038 0.000 0.746 123 E HN 0.128 nan 8.360 nan 0.000 0.450 124 S N -0.710 115.032 115.700 0.070 0.000 2.368 124 S HA -0.176 4.293 4.470 -0.001 0.000 0.225 124 S C 1.764 176.414 174.600 0.084 0.000 1.030 124 S CA 1.068 59.305 58.200 0.061 0.000 0.999 124 S CB -0.386 62.848 63.200 0.057 0.000 0.844 124 S HN 0.353 nan 8.310 nan 0.000 0.459 125 F N 1.568 121.514 119.950 -0.006 0.000 2.186 125 F HA 0.052 4.578 4.527 -0.001 0.000 0.299 125 F C 1.810 177.611 175.800 0.001 0.000 1.090 125 F CA 1.383 59.381 58.000 -0.002 0.000 1.307 125 F CB -0.225 38.766 39.000 -0.014 0.000 1.019 125 F HN 0.220 nan 8.300 nan 0.000 0.489 126 I N -0.011 120.666 120.570 0.177 0.000 2.286 126 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 126 I C 2.770 178.907 176.117 0.032 0.000 1.115 126 I CA 1.280 62.643 61.300 0.105 0.000 1.392 126 I CB -1.265 36.795 38.000 0.100 0.000 1.065 126 I HN 0.274 nan 8.210 nan 0.000 0.418 127 G N 1.287 110.092 108.800 0.009 0.000 2.476 127 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 127 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 127 G C 1.685 176.543 174.900 -0.069 0.000 1.164 127 G CA 0.815 45.901 45.100 -0.023 0.000 0.768 127 G HN 0.303 nan 8.290 nan 0.000 0.560 128 L N -0.282 120.860 121.223 -0.134 0.000 2.083 128 L HA -0.055 4.284 4.340 -0.001 0.000 0.209 128 L C 3.120 179.949 176.870 -0.067 0.000 1.083 128 L CA 0.989 55.724 54.840 -0.174 0.000 0.752 128 L CB -0.358 41.545 42.059 -0.261 0.000 0.899 128 L HN 0.253 nan 8.230 nan 0.000 0.433 129 M N -0.499 119.036 119.600 -0.108 0.000 2.086 129 M HA -0.198 4.281 4.480 -0.001 0.000 0.261 129 M C 1.968 178.369 176.300 0.168 0.000 1.067 129 M CA 1.677 56.972 55.300 -0.008 0.000 1.116 129 M CB -0.534 32.004 32.600 -0.103 0.000 1.348 129 M HN 0.263 nan 8.290 nan 0.000 0.407 130 N N 0.369 119.157 118.700 0.148 0.000 2.331 130 N HA -0.054 4.686 4.740 -0.001 0.000 0.180 130 N C 1.803 177.343 175.510 0.049 0.000 1.019 130 N CA 1.420 54.551 53.050 0.134 0.000 0.881 130 N CB -0.515 38.016 38.487 0.073 0.000 0.972 130 N HN 0.450 nan 8.380 nan 0.000 0.435 131 G N -0.065 108.721 108.800 -0.024 0.000 2.418 131 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 131 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 131 G C 1.201 176.030 174.900 -0.118 0.000 1.158 131 G CA 0.521 45.549 45.100 -0.120 0.000 0.771 131 G HN 0.279 nan 8.290 nan 0.000 0.545 132 Y N 1.219 121.522 120.300 0.005 0.000 2.314 132 Y HA 0.180 4.729 4.550 -0.001 0.000 0.293 132 Y C 3.068 178.947 175.900 -0.035 0.000 1.129 132 Y CA 0.322 58.420 58.100 -0.003 0.000 1.201 132 Y CB -0.435 38.033 38.460 0.013 0.000 0.999 132 Y HN 0.262 nan 8.280 nan 0.000 0.541 133 A N 0.277 123.197 122.820 0.166 0.000 1.883 133 A HA -0.305 4.014 4.320 -0.001 0.000 0.217 133 A C 2.220 179.833 177.584 0.049 0.000 1.186 133 A CA 2.224 54.327 52.037 0.111 0.000 0.624 133 A CB -0.690 18.394 19.000 0.139 0.000 0.822 133 A HN 0.389 nan 8.150 nan 0.000 0.444 134 K N -0.021 120.400 120.400 0.035 0.000 2.009 134 K HA -0.190 4.129 4.320 -0.001 0.000 0.210 134 K C 2.136 178.743 176.600 0.013 0.000 1.049 134 K CA 2.113 58.406 56.287 0.011 0.000 0.929 134 K CB -0.245 32.251 32.500 -0.007 0.000 0.714 134 K HN 0.411 nan 8.250 nan 0.000 0.440 135 K N 0.091 120.506 120.400 0.024 0.000 2.152 135 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 135 K C 1.590 178.217 176.600 0.045 0.000 1.048 135 K CA 1.398 57.709 56.287 0.040 0.000 0.933 135 K CB 0.002 32.550 32.500 0.079 0.000 0.721 135 K HN 0.217 nan 8.250 nan 0.000 0.447 136 L N -0.541 120.704 121.223 0.038 0.000 2.592 136 L HA 0.153 4.492 4.340 -0.001 0.000 0.227 136 L C 0.834 177.697 176.870 -0.011 0.000 1.127 136 L CA 0.382 55.224 54.840 0.002 0.000 0.884 136 L CB 0.388 42.412 42.059 -0.058 0.000 1.065 136 L HN 0.520 nan 8.230 nan 0.000 0.457 137 G N 0.869 109.667 108.800 -0.003 0.000 2.149 137 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.235 137 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.235 137 G C 0.185 175.077 174.900 -0.012 0.000 1.018 137 G CA -0.346 44.749 45.100 -0.010 0.000 0.728 137 G HN 0.255 nan 8.290 nan 0.000 0.508 138 L N 2.017 123.236 121.223 -0.006 0.000 2.423 138 L HA 0.245 4.585 4.340 -0.001 0.000 0.249 138 L C 2.112 178.977 176.870 -0.007 0.000 1.276 138 L CA 0.263 55.099 54.840 -0.008 0.000 1.199 138 L CB -0.313 41.747 42.059 0.001 0.000 1.407 138 L HN 0.396 nan 8.230 nan 0.000 0.410 139 T N -3.418 111.132 114.554 -0.008 0.000 3.035 139 T HA -0.061 4.289 4.350 -0.001 0.000 0.268 139 T C 1.159 175.867 174.700 0.014 0.000 1.109 139 T CA 0.651 62.750 62.100 -0.002 0.000 1.119 139 T CB -0.061 68.799 68.868 -0.013 0.000 0.900 139 T HN 0.400 nan 8.240 nan 0.000 0.503 140 N N 1.191 119.901 118.700 0.017 0.000 2.328 140 N HA 0.193 4.933 4.740 -0.001 0.000 0.247 140 N C -0.798 174.823 175.510 0.184 0.000 1.165 140 N CA 0.002 53.082 53.050 0.050 0.000 0.873 140 N CB 1.161 39.628 38.487 -0.033 0.000 1.125 140 N HN 0.349 nan 8.380 nan 0.000 0.513 141 T N 0.166 114.772 114.554 0.087 0.000 2.812 141 T HA 0.394 4.743 4.350 -0.001 0.000 0.282 141 T C -0.178 174.315 174.700 -0.345 0.000 0.990 141 T CA -0.446 61.581 62.100 -0.123 0.000 0.960 141 T CB 2.405 71.117 68.868 -0.261 0.000 0.948 141 T HN 0.042 nan 8.240 nan 0.000 0.438 142 T N 2.366 116.465 114.554 -0.759 0.000 2.921 142 T HA 0.708 5.057 4.350 -0.001 0.000 0.297 142 T C -1.457 172.756 174.700 -0.811 0.000 1.013 142 T CA -0.629 61.019 62.100 -0.755 0.000 0.990 142 T CB 0.410 68.948 68.868 -0.550 0.000 1.023 142 T HN 0.255 nan 8.240 nan 0.000 0.447 143 F N 2.978 122.807 119.950 -0.201 0.000 2.421 143 F HA 0.514 5.041 4.527 -0.001 0.000 0.337 143 F C 1.444 177.176 175.800 -0.113 0.000 1.105 143 F CA -0.721 57.202 58.000 -0.128 0.000 1.049 143 F CB 2.063 41.034 39.000 -0.048 0.000 1.139 143 F HN 0.505 nan 8.300 nan 0.000 0.479 144 Q N 1.087 120.940 119.800 0.088 0.000 2.189 144 Q HA 0.171 4.510 4.340 -0.001 0.000 0.223 144 Q C -0.049 175.978 176.000 0.045 0.000 0.828 144 Q CA 0.129 55.956 55.803 0.039 0.000 0.967 144 Q CB 1.111 29.846 28.738 -0.004 0.000 1.139 144 Q HN 0.817 nan 8.270 nan 0.000 0.497 145 T N -3.438 111.146 114.554 0.051 0.000 2.843 145 T HA 0.342 4.691 4.350 -0.001 0.000 0.302 145 T C 0.745 175.359 174.700 -0.144 0.000 1.232 145 T CA -0.391 61.658 62.100 -0.085 0.000 1.009 145 T CB 1.479 70.312 68.868 -0.058 0.000 1.254 145 T HN -0.132 nan 8.240 nan 0.000 0.504 146 V N -0.303 119.385 119.914 -0.377 0.000 3.541 146 V HA 0.210 4.329 4.120 -0.001 0.000 0.267 146 V C 1.210 177.162 176.094 -0.236 0.000 1.213 146 V CA 1.609 63.747 62.300 -0.271 0.000 1.149 146 V CB -1.702 29.922 31.823 -0.332 0.000 0.822 146 V HN 1.078 nan 8.190 nan 0.000 0.462 147 H N -1.219 117.853 119.070 0.003 0.000 3.457 147 H HA 0.596 5.151 4.556 -0.001 0.000 0.255 147 H C 1.627 176.973 175.328 0.030 0.000 1.082 147 H CA -0.268 55.780 56.048 -0.000 0.000 1.189 147 H CB 0.187 29.942 29.762 -0.011 0.000 1.511 147 H HN 0.528 nan 8.280 nan 0.000 0.527 148 G N 0.848 109.827 108.800 0.298 0.000 2.157 148 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.239 148 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.239 148 G C 0.031 175.056 174.900 0.209 0.000 0.982 148 G CA 0.057 45.294 45.100 0.228 0.000 0.650 148 G HN 0.346 nan 8.290 nan 0.000 0.527 149 L N 0.811 122.208 121.223 0.290 0.000 2.483 149 L HA 0.250 4.590 4.340 -0.001 0.000 0.275 149 L C 0.990 177.929 176.870 0.116 0.000 1.220 149 L CA -0.382 54.517 54.840 0.097 0.000 0.833 149 L CB 0.270 42.288 42.059 -0.067 0.000 1.102 149 L HN 0.125 nan 8.230 nan 0.000 0.490 150 D N 1.081 121.517 120.400 0.060 0.000 2.423 150 D HA 0.473 5.112 4.640 -0.001 0.000 0.238 150 D C -0.410 175.927 176.300 0.062 0.000 1.142 150 D CA 0.537 54.569 54.000 0.055 0.000 0.884 150 D CB 0.991 41.808 40.800 0.029 0.000 1.199 150 D HN 0.639 nan 8.370 nan 0.000 0.438 151 A N 3.010 125.864 122.820 0.056 0.000 2.599 151 A HA 0.541 4.860 4.320 -0.001 0.000 0.294 151 A C -2.790 174.816 177.584 0.036 0.000 1.055 151 A CA -1.182 50.884 52.037 0.047 0.000 0.683 151 A CB 0.889 19.923 19.000 0.056 0.000 1.278 151 A HN 0.403 nan 8.150 nan 0.000 0.412 152 P HA 0.417 nan 4.420 nan 0.000 0.268 152 P C 0.975 178.290 177.300 0.025 0.000 1.205 152 P CA 1.798 64.920 63.100 0.038 0.000 0.771 152 P CB 0.734 32.454 31.700 0.033 0.000 0.858 153 G N 0.998 109.835 108.800 0.061 0.000 2.153 153 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.252 153 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.252 153 G C 0.054 174.803 174.900 -0.252 0.000 0.994 153 G CA 0.085 45.205 45.100 0.034 0.000 0.698 153 G HN 0.712 nan 8.290 nan 0.000 0.521 154 Q N -0.337 119.358 119.800 -0.174 0.000 2.307 154 Q HA 0.704 5.044 4.340 -0.001 0.000 0.262 154 Q C -0.351 175.520 176.000 -0.215 0.000 0.961 154 Q CA -1.128 54.480 55.803 -0.325 0.000 0.882 154 Q CB 0.663 29.345 28.738 -0.094 0.000 1.264 154 Q HN 0.821 nan 8.270 nan 0.000 0.446 155 F N -0.141 119.739 119.950 -0.116 0.000 2.719 155 F HA 0.755 5.281 4.527 -0.001 0.000 0.309 155 F C -1.054 174.632 175.800 -0.190 0.000 1.138 155 F CA -0.981 56.953 58.000 -0.110 0.000 0.943 155 F CB 1.194 40.143 39.000 -0.085 0.000 1.304 155 F HN 0.393 nan 8.300 nan 0.000 0.445 156 S N -0.648 115.150 115.700 0.162 0.000 2.840 156 S HA 0.909 5.378 4.470 -0.001 0.000 0.307 156 S C -1.025 173.617 174.600 0.070 0.000 1.180 156 S CA 0.072 58.315 58.200 0.073 0.000 0.846 156 S CB 1.777 64.980 63.200 0.006 0.000 1.233 156 S HN 1.333 nan 8.310 nan 0.000 0.548 157 T N -1.566 113.006 114.554 0.030 0.000 2.865 157 T HA 0.759 5.108 4.350 -0.001 0.000 0.294 157 T C 1.027 175.732 174.700 0.008 0.000 1.119 157 T CA -0.075 62.026 62.100 0.001 0.000 1.007 157 T CB 0.957 69.806 68.868 -0.031 0.000 1.225 157 T HN 0.756 nan 8.240 nan 0.000 0.515 158 A N 0.720 123.535 122.820 -0.009 0.000 1.877 158 A HA -0.031 4.288 4.320 -0.001 0.000 0.216 158 A C 2.398 179.980 177.584 -0.003 0.000 1.186 158 A CA 1.830 53.870 52.037 0.004 0.000 0.620 158 A CB -0.929 18.059 19.000 -0.020 0.000 0.822 158 A HN 0.916 nan 8.150 nan 0.000 0.443 159 R N -0.461 120.020 120.500 -0.031 0.000 2.073 159 R HA -0.179 4.160 4.340 -0.001 0.000 0.234 159 R C 1.505 177.797 176.300 -0.013 0.000 1.134 159 R CA 1.938 58.019 56.100 -0.031 0.000 0.952 159 R CB -0.403 29.867 30.300 -0.051 0.000 0.850 159 R HN 0.453 nan 8.270 nan 0.000 0.433 160 D N 0.092 120.487 120.400 -0.008 0.000 2.117 160 D HA -0.182 4.457 4.640 -0.001 0.000 0.197 160 D C 1.897 178.211 176.300 0.025 0.000 0.987 160 D CA 1.108 55.110 54.000 0.003 0.000 0.829 160 D CB -0.094 40.706 40.800 0.001 0.000 0.961 160 D HN 0.201 nan 8.370 nan 0.000 0.460 161 M N 0.403 120.028 119.600 0.041 0.000 2.159 161 M HA -0.044 4.436 4.480 -0.001 0.000 0.263 161 M C 2.210 178.539 176.300 0.049 0.000 1.063 161 M CA 0.767 56.105 55.300 0.065 0.000 1.110 161 M CB -0.953 31.694 32.600 0.079 0.000 1.374 161 M HN -0.013 nan 8.290 nan 0.000 0.411 162 A N 0.011 122.852 122.820 0.036 0.000 1.898 162 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 162 A C 2.052 179.646 177.584 0.018 0.000 1.181 162 A CA 1.160 53.216 52.037 0.031 0.000 0.620 162 A CB -0.656 18.359 19.000 0.026 0.000 0.819 162 A HN 0.352 nan 8.150 nan 0.000 0.442 163 L N -0.853 120.371 121.223 0.002 0.000 2.083 163 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 163 L C 2.384 179.241 176.870 -0.022 0.000 1.083 163 L CA 1.528 56.359 54.840 -0.015 0.000 0.752 163 L CB -1.242 40.801 42.059 -0.025 0.000 0.899 163 L HN 0.466 nan 8.230 nan 0.000 0.433 164 L N -0.332 120.881 121.223 -0.015 0.000 2.056 164 L HA -0.008 4.331 4.340 -0.001 0.000 0.207 164 L C 2.311 179.167 176.870 -0.024 0.000 1.078 164 L CA 2.024 56.836 54.840 -0.047 0.000 0.749 164 L CB -1.296 40.764 42.059 0.002 0.000 0.901 164 L HN 0.228 nan 8.230 nan 0.000 0.433 165 G N -0.710 108.094 108.800 0.007 0.000 2.402 165 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.216 165 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.216 165 G C 1.704 176.590 174.900 -0.023 0.000 1.162 165 G CA 0.809 45.906 45.100 -0.006 0.000 0.777 165 G HN 0.466 nan 8.290 nan 0.000 0.539 166 K N 0.623 121.045 120.400 0.037 0.000 2.057 166 K HA 0.028 4.347 4.320 -0.001 0.000 0.207 166 K C 2.731 179.424 176.600 0.154 0.000 1.049 166 K CA 1.350 57.721 56.287 0.141 0.000 0.931 166 K CB -0.331 32.231 32.500 0.104 0.000 0.714 166 K HN 0.195 nan 8.250 nan 0.000 0.440 167 A N 1.276 124.142 122.820 0.077 0.000 1.933 167 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 167 A C 2.054 179.800 177.584 0.271 0.000 1.175 167 A CA 1.307 53.430 52.037 0.143 0.000 0.628 167 A CB -0.604 18.389 19.000 -0.011 0.000 0.814 167 A HN 0.397 nan 8.150 nan 0.000 0.444 168 L N 0.110 121.447 121.223 0.191 0.000 1.989 168 L HA -0.145 4.195 4.340 -0.001 0.000 0.211 168 L C 2.281 179.169 176.870 0.031 0.000 1.071 168 L CA 1.922 56.880 54.840 0.197 0.000 0.749 168 L CB -0.412 41.709 42.059 0.103 0.000 0.890 168 L HN 0.450 nan 8.230 nan 0.000 0.431 169 I N -1.236 119.229 120.570 -0.175 0.000 2.226 169 I HA -0.325 3.844 4.170 -0.001 0.000 0.245 169 I C 2.588 178.689 176.117 -0.026 0.000 1.100 169 I CA 1.595 62.666 61.300 -0.383 0.000 1.374 169 I CB -0.657 36.923 38.000 -0.700 0.000 1.057 169 I HN 0.463 nan 8.210 nan 0.000 0.413 170 H N 0.847 119.973 119.070 0.093 0.000 2.372 170 H HA -0.121 4.434 4.556 -0.001 0.000 0.301 170 H C 1.352 176.732 175.328 0.086 0.000 1.065 170 H CA 1.738 57.880 56.048 0.156 0.000 1.364 170 H CB 0.313 30.174 29.762 0.164 0.000 1.406 170 H HN 0.282 nan 8.280 nan 0.000 0.521 171 D N 0.316 120.778 120.400 0.104 0.000 2.262 171 D HA -0.012 4.627 4.640 -0.001 0.000 0.212 171 D C 0.934 177.182 176.300 -0.086 0.000 0.964 171 D CA 0.835 54.857 54.000 0.037 0.000 0.875 171 D CB 0.566 41.469 40.800 0.173 0.000 0.996 171 D HN 0.304 nan 8.370 nan 0.000 0.497 172 V N -0.703 119.163 119.914 -0.081 0.000 2.326 172 V HA 0.308 4.428 4.120 -0.001 0.000 0.254 172 V C -2.037 174.058 176.094 0.001 0.000 1.022 172 V CA -1.290 60.954 62.300 -0.094 0.000 1.074 172 V CB 1.178 32.886 31.823 -0.192 0.000 1.305 172 V HN -0.177 nan 8.190 nan 0.000 0.506 173 P HA -0.179 nan 4.420 nan 0.000 0.217 173 P C 1.327 178.674 177.300 0.079 0.000 1.148 173 P CA 1.565 64.701 63.100 0.058 0.000 0.828 173 P CB 0.571 32.275 31.700 0.006 0.000 0.783 174 E N -0.195 120.023 120.200 0.030 0.000 2.106 174 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 174 E C 2.122 178.742 176.600 0.034 0.000 0.984 174 E CA 0.898 57.310 56.400 0.021 0.000 0.806 174 E CB -0.174 29.524 29.700 -0.003 0.000 0.750 174 E HN 0.257 nan 8.360 nan 0.000 0.458 175 E N 0.306 120.535 120.200 0.049 0.000 2.107 175 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 175 E C 1.771 178.494 176.600 0.205 0.000 0.982 175 E CA 0.724 57.176 56.400 0.087 0.000 0.809 175 E CB -0.252 29.487 29.700 0.065 0.000 0.756 175 E HN 0.239 nan 8.360 nan 0.000 0.459 176 Y N 0.576 120.913 120.300 0.062 0.000 2.165 176 Y HA -0.180 4.370 4.550 -0.001 0.000 0.286 176 Y C 2.042 178.011 175.900 0.116 0.000 1.155 176 Y CA 1.608 59.738 58.100 0.049 0.000 1.164 176 Y CB -0.805 37.626 38.460 -0.049 0.000 0.978 176 Y HN 0.124 nan 8.280 nan 0.000 0.513 177 A N 0.341 123.153 122.820 -0.014 0.000 1.997 177 A HA -0.238 4.082 4.320 -0.001 0.000 0.221 177 A C 2.268 179.768 177.584 -0.139 0.000 1.172 177 A CA 2.189 54.166 52.037 -0.100 0.000 0.645 177 A CB -1.240 17.744 19.000 -0.027 0.000 0.813 177 A HN 0.595 nan 8.150 nan 0.000 0.454 178 I N -1.637 118.878 120.570 -0.091 0.000 2.676 178 I HA -0.175 3.994 4.170 -0.001 0.000 0.259 178 I C 1.996 177.986 176.117 -0.211 0.000 1.194 178 I CA 0.941 62.155 61.300 -0.143 0.000 1.473 178 I CB -0.417 37.487 38.000 -0.160 0.000 1.096 178 I HN 0.357 nan 8.210 nan 0.000 0.443 179 H N 1.280 120.184 119.070 -0.277 0.000 2.521 179 H HA -0.136 4.419 4.556 -0.001 0.000 0.286 179 H C 2.064 177.253 175.328 -0.233 0.000 1.034 179 H CA 1.117 57.012 56.048 -0.254 0.000 1.278 179 H CB -0.053 29.503 29.762 -0.344 0.000 1.386 179 H HN 0.392 nan 8.280 nan 0.000 0.567 180 K N 0.898 121.191 120.400 -0.178 0.000 2.400 180 K HA 0.008 4.327 4.320 -0.001 0.000 0.194 180 K C -0.074 176.425 176.600 -0.169 0.000 1.033 180 K CA 0.238 56.423 56.287 -0.168 0.000 1.021 180 K CB 0.325 32.718 32.500 -0.177 0.000 0.808 180 K HN 0.215 nan 8.250 nan 0.000 0.505 181 E N 2.053 122.168 120.200 -0.142 0.000 2.415 181 E HA -0.002 4.348 4.350 -0.001 0.000 0.260 181 E C 0.026 176.574 176.600 -0.087 0.000 1.016 181 E CA -0.051 56.283 56.400 -0.109 0.000 0.924 181 E CB 1.023 30.675 29.700 -0.080 0.000 0.961 181 E HN 0.217 nan 8.360 nan 0.000 0.459 182 K N 2.248 122.581 120.400 -0.112 0.000 2.288 182 K HA -0.112 4.207 4.320 -0.001 0.000 0.201 182 K C 0.071 176.766 176.600 0.157 0.000 1.048 182 K CA 0.945 57.179 56.287 -0.089 0.000 0.956 182 K CB 0.076 32.432 32.500 -0.240 0.000 0.746 182 K HN 0.517 nan 8.250 nan 0.000 0.461 183 E N -0.570 119.714 120.200 0.139 0.000 2.401 183 E HA 0.358 4.708 4.350 -0.001 0.000 0.280 183 E C -1.046 175.720 176.600 0.276 0.000 1.039 183 E CA -1.094 55.434 56.400 0.213 0.000 0.814 183 E CB 0.562 30.368 29.700 0.177 0.000 1.275 183 E HN -0.035 nan 8.360 nan 0.000 0.448 184 F N -1.123 118.858 119.950 0.052 0.000 2.599 184 F HA 0.847 5.374 4.527 -0.001 0.000 0.311 184 F C -1.056 174.797 175.800 0.088 0.000 1.076 184 F CA -1.084 56.948 58.000 0.054 0.000 0.937 184 F CB 1.802 40.822 39.000 0.035 0.000 1.282 184 F HN 0.358 nan 8.300 nan 0.000 0.460 185 T N 3.456 117.896 114.554 -0.189 0.000 2.799 185 T HA 0.619 4.968 4.350 -0.001 0.000 0.286 185 T C -1.526 172.976 174.700 -0.330 0.000 0.973 185 T CA -0.122 61.817 62.100 -0.270 0.000 1.035 185 T CB 0.760 69.577 68.868 -0.085 0.000 0.932 185 T HN 0.597 nan 8.240 nan 0.000 0.469 186 F N 2.908 122.545 119.950 -0.522 0.000 2.615 186 F HA 0.431 4.958 4.527 -0.001 0.000 0.312 186 F C 0.215 175.912 175.800 -0.173 0.000 1.119 186 F CA -0.793 57.009 58.000 -0.329 0.000 0.979 186 F CB 1.399 40.155 39.000 -0.405 0.000 1.266 186 F HN 0.603 nan 8.300 nan 0.000 0.444 187 N N 4.049 122.300 118.700 -0.748 0.000 2.776 187 N HA -0.196 4.543 4.740 -0.001 0.000 0.250 187 N C -0.048 175.315 175.510 -0.245 0.000 1.112 187 N CA 1.212 54.004 53.050 -0.430 0.000 0.733 187 N CB -0.325 38.056 38.487 -0.177 0.000 1.097 187 N HN 0.782 nan 8.380 nan 0.000 0.558 188 K N -2.082 118.181 120.400 -0.228 0.000 3.274 188 K HA -0.178 4.141 4.320 -0.001 0.000 0.305 188 K C 0.174 176.707 176.600 -0.111 0.000 1.225 188 K CA 1.260 57.460 56.287 -0.145 0.000 0.904 188 K CB -1.811 30.615 32.500 -0.123 0.000 1.227 188 K HN 0.619 nan 8.250 nan 0.000 0.453 189 I N 1.272 121.773 120.570 -0.115 0.000 2.406 189 I HA 0.232 4.401 4.170 -0.001 0.000 0.290 189 I C 0.706 176.768 176.117 -0.091 0.000 0.999 189 I CA -0.769 60.484 61.300 -0.079 0.000 1.124 189 I CB 1.685 39.655 38.000 -0.050 0.000 1.289 189 I HN -0.133 nan 8.210 nan 0.000 0.441 190 R N 6.069 126.535 120.500 -0.056 0.000 2.351 190 R HA 0.149 4.488 4.340 -0.001 0.000 0.318 190 R C -0.707 175.585 176.300 -0.012 0.000 1.055 190 R CA -0.220 55.856 56.100 -0.039 0.000 0.968 190 R CB 0.557 30.857 30.300 0.001 0.000 0.974 190 R HN 0.523 nan 8.270 nan 0.000 0.439 191 Q N 5.205 124.994 119.800 -0.018 0.000 2.348 191 Q HA 0.370 4.710 4.340 -0.001 0.000 0.265 191 Q C -2.355 173.743 176.000 0.165 0.000 0.998 191 Q CA -2.235 53.612 55.803 0.074 0.000 0.831 191 Q CB 2.128 30.924 28.738 0.097 0.000 1.251 191 Q HN 0.381 nan 8.270 nan 0.000 0.456 192 P HA 0.032 nan 4.420 nan 0.000 0.276 192 P C -0.263 177.182 177.300 0.240 0.000 1.244 192 P CA -0.520 62.709 63.100 0.214 0.000 0.801 192 P CB 0.877 32.665 31.700 0.147 0.000 1.006 193 N N 1.574 120.465 118.700 0.319 0.000 2.513 193 N HA 0.018 4.758 4.740 -0.001 0.000 0.268 193 N C 1.064 176.749 175.510 0.291 0.000 1.180 193 N CA 0.065 53.277 53.050 0.270 0.000 0.948 193 N CB 0.479 39.109 38.487 0.238 0.000 1.083 193 N HN 0.255 nan 8.380 nan 0.000 0.455 194 R N 1.341 121.976 120.500 0.224 0.000 2.276 194 R HA -0.031 4.309 4.340 -0.001 0.000 0.203 194 R C 0.082 176.568 176.300 0.310 0.000 1.017 194 R CA 0.229 56.463 56.100 0.224 0.000 1.010 194 R CB -0.101 30.319 30.300 0.199 0.000 0.900 194 R HN 0.448 nan 8.270 nan 0.000 0.469 195 N N 1.871 120.776 118.700 0.342 0.000 2.508 195 N HA 0.013 4.753 4.740 -0.001 0.000 0.253 195 N C 0.388 176.125 175.510 0.379 0.000 1.145 195 N CA 0.068 53.364 53.050 0.410 0.000 0.973 195 N CB 0.453 39.134 38.487 0.324 0.000 1.305 195 N HN 0.047 nan 8.380 nan 0.000 0.506 196 R N 1.849 122.379 120.500 0.051 0.000 2.189 196 R HA -0.063 4.276 4.340 -0.001 0.000 0.223 196 R C 1.189 177.493 176.300 0.007 0.000 1.092 196 R CA 0.471 56.457 56.100 -0.190 0.000 0.989 196 R CB -0.042 29.711 30.300 -0.911 0.000 0.876 196 R HN 0.377 nan 8.270 nan 0.000 0.457 197 L N 1.022 122.267 121.223 0.037 0.000 2.362 197 L HA -0.068 4.272 4.340 -0.001 0.000 0.219 197 L C 1.789 178.760 176.870 0.169 0.000 1.134 197 L CA 1.261 56.196 54.840 0.158 0.000 0.807 197 L CB -0.232 42.009 42.059 0.302 0.000 0.927 197 L HN 0.171 nan 8.230 nan 0.000 0.447 198 L N -2.239 119.089 121.223 0.175 0.000 2.261 198 L HA -0.252 4.088 4.340 -0.001 0.000 0.216 198 L C 1.887 178.667 176.870 -0.150 0.000 1.114 198 L CA 1.027 55.834 54.840 -0.056 0.000 0.777 198 L CB -0.515 41.368 42.059 -0.292 0.000 0.910 198 L HN 0.499 nan 8.230 nan 0.000 0.440 199 W N -0.558 120.720 121.300 -0.038 0.000 3.290 199 W HA 0.131 4.790 4.660 -0.001 0.000 0.287 199 W C 1.433 177.932 176.519 -0.032 0.000 1.288 199 W CA -0.278 57.042 57.345 -0.041 0.000 1.725 199 W CB 0.056 29.476 29.460 -0.066 0.000 1.103 199 W HN 0.007 nan 8.180 nan 0.000 0.670 200 S N 0.678 116.466 115.700 0.148 0.000 2.558 200 S HA -0.034 4.436 4.470 -0.001 0.000 0.293 200 S C 1.204 175.842 174.600 0.063 0.000 1.292 200 S CA 0.418 58.676 58.200 0.098 0.000 1.063 200 S CB 1.144 64.400 63.200 0.093 0.000 0.831 200 S HN 0.032 nan 8.310 nan 0.000 0.499 201 S N 3.666 119.399 115.700 0.055 0.000 2.503 201 S HA 0.054 4.523 4.470 -0.001 0.000 0.215 201 S C 1.380 175.993 174.600 0.021 0.000 1.003 201 S CA 0.230 58.448 58.200 0.031 0.000 0.910 201 S CB -0.185 63.034 63.200 0.031 0.000 0.790 201 S HN 0.861 nan 8.310 nan 0.000 0.514 202 N N 0.873 119.595 118.700 0.036 0.000 2.354 202 N HA 0.163 4.903 4.740 -0.001 0.000 0.179 202 N C -0.034 175.496 175.510 0.033 0.000 1.021 202 N CA 0.696 53.768 53.050 0.037 0.000 0.887 202 N CB 0.128 38.652 38.487 0.061 0.000 0.974 202 N HN 0.270 nan 8.380 nan 0.000 0.437 203 L N -0.062 121.186 121.223 0.042 0.000 2.371 203 L HA 0.394 4.733 4.340 -0.001 0.000 0.262 203 L C -0.741 176.136 176.870 0.012 0.000 1.006 203 L CA -0.951 53.915 54.840 0.045 0.000 0.818 203 L CB 1.855 43.992 42.059 0.130 0.000 1.354 203 L HN -0.017 nan 8.230 nan 0.000 0.415 204 N N 1.852 120.539 118.700 -0.022 0.000 3.188 204 N HA 0.184 4.923 4.740 -0.001 0.000 0.279 204 N C -0.778 174.744 175.510 0.020 0.000 1.213 204 N CA -0.020 53.014 53.050 -0.027 0.000 1.138 204 N CB 0.913 39.356 38.487 -0.074 0.000 1.417 204 N HN 0.146 nan 8.380 nan 0.000 0.526 205 V N 1.762 121.696 119.914 0.034 0.000 2.465 205 V HA 0.127 4.246 4.120 -0.001 0.000 0.279 205 V C 0.742 176.858 176.094 0.036 0.000 1.045 205 V CA -0.347 61.998 62.300 0.075 0.000 0.938 205 V CB 1.574 33.456 31.823 0.099 0.000 0.986 205 V HN 0.480 nan 8.190 nan 0.000 0.467 206 D N 1.892 122.335 120.400 0.073 0.000 2.540 206 D HA 0.403 5.042 4.640 -0.001 0.000 0.229 206 D C 0.246 176.542 176.300 -0.006 0.000 1.250 206 D CA 0.338 54.344 54.000 0.009 0.000 0.817 206 D CB 0.958 41.761 40.800 0.006 0.000 1.060 206 D HN 0.702 nan 8.370 nan 0.000 0.508 207 G N -0.931 107.941 108.800 0.120 0.000 2.441 207 G HA2 0.427 4.386 3.960 -0.001 0.000 0.294 207 G HA3 0.427 4.386 3.960 -0.001 0.000 0.294 207 G C -0.549 174.475 174.900 0.207 0.000 1.393 207 G CA -0.217 44.980 45.100 0.160 0.000 0.796 207 G HN 0.050 nan 8.290 nan 0.000 0.494 208 M N -1.729 118.002 119.600 0.218 0.000 2.102 208 M HA 0.513 4.992 4.480 -0.001 0.000 0.199 208 M C -0.170 176.299 176.300 0.282 0.000 1.558 208 M CA 0.424 55.865 55.300 0.235 0.000 0.982 208 M CB 0.932 33.641 32.600 0.181 0.000 1.521 208 M HN 0.367 nan 8.290 nan 0.000 0.571 209 K N 0.737 121.271 120.400 0.223 0.000 2.570 209 K HA 0.317 4.636 4.320 -0.001 0.000 0.256 209 K C -1.053 175.647 176.600 0.166 0.000 0.939 209 K CA -0.358 56.053 56.287 0.207 0.000 0.833 209 K CB 1.636 34.255 32.500 0.197 0.000 1.318 209 K HN 0.273 nan 8.250 nan 0.000 0.433 210 T N -0.271 114.382 114.554 0.165 0.000 2.927 210 T HA 0.903 5.253 4.350 -0.001 0.000 0.281 210 T C 0.250 175.015 174.700 0.110 0.000 0.998 210 T CA -0.510 61.661 62.100 0.119 0.000 1.019 210 T CB 1.681 70.644 68.868 0.157 0.000 1.061 210 T HN 0.646 nan 8.240 nan 0.000 0.518 211 G N -0.317 108.538 108.800 0.090 0.000 2.673 211 G HA2 0.551 4.511 3.960 -0.001 0.000 0.292 211 G HA3 0.551 4.511 3.960 -0.001 0.000 0.292 211 G C -1.359 173.581 174.900 0.066 0.000 1.450 211 G CA -0.804 44.347 45.100 0.085 0.000 0.837 211 G HN 0.799 nan 8.290 nan 0.000 0.505 212 T N 1.348 115.908 114.554 0.009 0.000 2.847 212 T HA 0.595 4.945 4.350 -0.001 0.000 0.291 212 T C 0.654 175.262 174.700 -0.153 0.000 0.998 212 T CA -0.246 61.764 62.100 -0.149 0.000 0.967 212 T CB 1.161 69.953 68.868 -0.127 0.000 0.954 212 T HN 0.973 nan 8.240 nan 0.000 0.441 213 T N 0.654 115.094 114.554 -0.191 0.000 2.766 213 T HA 0.503 4.852 4.350 -0.001 0.000 0.295 213 T C 1.719 176.348 174.700 -0.119 0.000 1.024 213 T CA -0.235 61.801 62.100 -0.108 0.000 1.018 213 T CB 0.773 69.595 68.868 -0.078 0.000 1.002 213 T HN 0.510 nan 8.240 nan 0.000 0.532 214 A N 0.214 122.995 122.820 -0.064 0.000 2.016 214 A HA 0.438 4.757 4.320 -0.001 0.000 0.217 214 A C 1.794 179.343 177.584 -0.059 0.000 1.162 214 A CA 0.786 52.791 52.037 -0.054 0.000 0.662 214 A CB -0.655 18.331 19.000 -0.024 0.000 0.812 214 A HN 1.443 nan 8.150 nan 0.000 0.450 215 G N -2.615 106.150 108.800 -0.058 0.000 5.542 215 G HA2 0.477 4.436 3.960 -0.001 0.000 0.207 215 G HA3 0.477 4.436 3.960 -0.001 0.000 0.207 215 G C 0.012 174.887 174.900 -0.042 0.000 0.764 215 G CA 0.678 45.749 45.100 -0.048 0.000 0.692 215 G HN 1.070 nan 8.290 nan 0.000 0.330 216 A N -0.259 122.526 122.820 -0.059 0.000 2.579 216 A HA 0.741 5.060 4.320 -0.001 0.000 0.254 216 A C 0.941 178.495 177.584 -0.049 0.000 0.873 216 A CA 0.647 52.662 52.037 -0.036 0.000 1.106 216 A CB -0.114 18.878 19.000 -0.013 0.000 1.222 216 A HN 2.070 nan 8.150 nan 0.000 0.470 217 G N -0.794 107.931 108.800 -0.126 0.000 2.447 217 G HA2 0.057 4.017 3.960 -0.001 0.000 0.220 217 G HA3 0.057 4.017 3.960 -0.001 0.000 0.220 217 G C -0.931 173.824 174.900 -0.243 0.000 1.261 217 G CA -0.526 44.508 45.100 -0.109 0.000 1.000 217 G HN 0.655 nan 8.290 nan 0.000 0.515 218 Y N 0.852 121.146 120.300 -0.009 0.000 2.485 218 Y HA 0.698 5.247 4.550 -0.001 0.000 0.345 218 Y C 0.488 176.361 175.900 -0.046 0.000 0.998 218 Y CA -0.890 57.189 58.100 -0.034 0.000 1.059 218 Y CB 2.350 40.769 38.460 -0.068 0.000 1.234 218 Y HN 0.643 nan 8.280 nan 0.000 0.461 219 N N 1.713 120.473 118.700 0.101 0.000 2.312 219 N HA 0.689 5.428 4.740 -0.001 0.000 0.296 219 N C -2.020 173.490 175.510 0.001 0.000 1.193 219 N CA -0.700 52.380 53.050 0.051 0.000 0.773 219 N CB 2.564 41.087 38.487 0.060 0.000 1.435 219 N HN 0.525 nan 8.380 nan 0.000 0.484 220 L N 0.104 121.333 121.223 0.009 0.000 2.513 220 L HA 0.527 4.866 4.340 -0.001 0.000 0.261 220 L C -1.809 175.105 176.870 0.073 0.000 0.945 220 L CA -0.594 54.253 54.840 0.012 0.000 0.848 220 L CB 1.896 43.913 42.059 -0.071 0.000 1.334 220 L HN 0.276 nan 8.230 nan 0.000 0.407 221 V N 4.065 124.042 119.914 0.104 0.000 2.417 221 V HA 0.961 5.081 4.120 -0.001 0.000 0.291 221 V C 0.110 176.289 176.094 0.142 0.000 1.024 221 V CA 0.060 62.429 62.300 0.116 0.000 0.861 221 V CB 1.161 33.051 31.823 0.112 0.000 0.985 221 V HN 1.008 nan 8.190 nan 0.000 0.436 222 A N 3.641 126.546 122.820 0.142 0.000 2.454 222 A HA 0.939 5.259 4.320 -0.001 0.000 0.302 222 A C -0.541 177.135 177.584 0.154 0.000 1.079 222 A CA -0.594 51.544 52.037 0.168 0.000 0.731 222 A CB 2.237 21.347 19.000 0.182 0.000 1.299 222 A HN 0.749 nan 8.150 nan 0.000 0.413 223 S N -0.655 115.149 115.700 0.174 0.000 2.540 223 S HA 0.815 5.284 4.470 -0.001 0.000 0.275 223 S C -0.850 173.858 174.600 0.180 0.000 1.123 223 S CA 0.253 58.544 58.200 0.153 0.000 0.907 223 S CB 1.532 64.799 63.200 0.112 0.000 1.081 223 S HN 2.203 nan 8.310 nan 0.000 0.476 224 A N 2.104 125.052 122.820 0.212 0.000 2.539 224 A HA 0.920 5.240 4.320 -0.001 0.000 0.296 224 A C -0.383 177.393 177.584 0.319 0.000 1.073 224 A CA -0.609 51.582 52.037 0.256 0.000 0.700 224 A CB 1.609 20.824 19.000 0.358 0.000 1.296 224 A HN 1.099 nan 8.150 nan 0.000 0.405 225 T N -0.988 113.651 114.554 0.141 0.000 2.916 225 T HA 0.767 5.117 4.350 -0.001 0.000 0.292 225 T C -0.884 173.675 174.700 -0.234 0.000 1.055 225 T CA -0.642 61.499 62.100 0.070 0.000 1.009 225 T CB 1.739 70.622 68.868 0.026 0.000 1.118 225 T HN 0.566 nan 8.240 nan 0.000 0.497 226 Q N 1.015 120.669 119.800 -0.243 0.000 2.589 226 Q HA 0.481 4.820 4.340 -0.001 0.000 0.245 226 Q C 0.646 176.589 176.000 -0.096 0.000 0.931 226 Q CA -0.355 55.260 55.803 -0.314 0.000 0.730 226 Q CB 1.299 29.681 28.738 -0.593 0.000 1.315 226 Q HN 1.351 nan 8.270 nan 0.000 0.469 227 G N 2.769 111.531 108.800 -0.064 0.000 2.561 227 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.289 227 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.289 227 G C 0.323 175.234 174.900 0.018 0.000 1.169 227 G CA 0.469 45.558 45.100 -0.018 0.000 0.980 227 G HN 0.619 nan 8.290 nan 0.000 0.550 228 D N 1.030 121.454 120.400 0.041 0.000 2.349 228 D HA 0.116 4.755 4.640 -0.001 0.000 0.215 228 D C 1.377 177.742 176.300 0.109 0.000 1.016 228 D CA 0.523 54.563 54.000 0.067 0.000 0.870 228 D CB 0.091 40.927 40.800 0.059 0.000 0.917 228 D HN 0.395 nan 8.370 nan 0.000 0.524 229 M N 1.214 120.894 119.600 0.133 0.000 2.108 229 M HA 0.196 4.675 4.480 -0.001 0.000 0.354 229 M C -0.469 176.005 176.300 0.290 0.000 1.229 229 M CA -0.387 55.041 55.300 0.213 0.000 1.081 229 M CB 1.244 34.007 32.600 0.273 0.000 1.606 229 M HN -0.306 nan 8.290 nan 0.000 0.467 230 R N 5.613 126.259 120.500 0.243 0.000 2.621 230 R HA 0.701 5.040 4.340 -0.001 0.000 0.292 230 R C -2.078 174.316 176.300 0.156 0.000 0.969 230 R CA -0.615 55.614 56.100 0.216 0.000 0.887 230 R CB 1.466 31.788 30.300 0.037 0.000 1.180 230 R HN 0.832 nan 8.270 nan 0.000 0.450 231 L N 5.119 126.409 121.223 0.111 0.000 2.342 231 L HA 0.594 4.934 4.340 -0.001 0.000 0.271 231 L C -0.457 176.439 176.870 0.044 0.000 1.008 231 L CA -1.085 53.738 54.840 -0.029 0.000 0.818 231 L CB 2.176 44.063 42.059 -0.286 0.000 1.296 231 L HN 0.571 nan 8.230 nan 0.000 0.427 232 I N 1.370 121.965 120.570 0.042 0.000 2.436 232 I HA 0.302 4.471 4.170 -0.001 0.000 0.289 232 I C -0.185 175.973 176.117 0.068 0.000 1.010 232 I CA -0.224 61.113 61.300 0.063 0.000 1.098 232 I CB 2.179 40.216 38.000 0.062 0.000 1.266 232 I HN 0.614 nan 8.210 nan 0.000 0.434 233 S N 5.660 121.415 115.700 0.091 0.000 2.549 233 S HA 0.853 5.322 4.470 -0.001 0.000 0.297 233 S C -0.728 173.939 174.600 0.111 0.000 1.115 233 S CA -0.654 57.611 58.200 0.108 0.000 1.059 233 S CB 2.197 65.468 63.200 0.120 0.000 1.046 233 S HN 0.296 nan 8.310 nan 0.000 0.506 234 V N 1.961 121.950 119.914 0.125 0.000 2.709 234 V HA 0.663 4.782 4.120 -0.001 0.000 0.308 234 V C -0.902 175.283 176.094 0.151 0.000 1.062 234 V CA -0.650 61.721 62.300 0.118 0.000 0.901 234 V CB 1.953 33.834 31.823 0.096 0.000 1.003 234 V HN 0.876 nan 8.190 nan 0.000 0.425 235 V N 5.633 125.621 119.914 0.124 0.000 2.638 235 V HA 0.584 4.703 4.120 -0.001 0.000 0.306 235 V C -0.712 175.449 176.094 0.111 0.000 1.052 235 V CA -0.416 61.969 62.300 0.143 0.000 0.885 235 V CB 1.958 33.829 31.823 0.081 0.000 0.999 235 V HN 0.662 nan 8.190 nan 0.000 0.424 236 L N 3.239 124.542 121.223 0.132 0.000 2.381 236 L HA 0.743 5.083 4.340 -0.001 0.000 0.268 236 L C 0.984 177.913 176.870 0.099 0.000 0.997 236 L CA -0.463 54.435 54.840 0.097 0.000 0.818 236 L CB 2.014 44.122 42.059 0.082 0.000 1.310 236 L HN 0.880 nan 8.230 nan 0.000 0.416 237 G N 1.905 110.750 108.800 0.075 0.000 2.221 237 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.265 237 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.265 237 G C 0.365 175.320 174.900 0.090 0.000 1.041 237 G CA 0.185 45.325 45.100 0.068 0.000 0.807 237 G HN 0.950 nan 8.290 nan 0.000 0.502 238 A N -0.801 122.083 122.820 0.106 0.000 2.498 238 A HA 0.606 4.926 4.320 -0.001 0.000 0.239 238 A C 1.468 179.152 177.584 0.168 0.000 1.068 238 A CA 1.254 53.354 52.037 0.104 0.000 0.766 238 A CB 0.375 19.415 19.000 0.066 0.000 1.003 238 A HN 0.363 nan 8.150 nan 0.000 0.497 239 K N 0.100 120.572 120.400 0.119 0.000 2.097 239 K HA -0.045 4.275 4.320 -0.001 0.000 0.206 239 K C 1.075 177.808 176.600 0.223 0.000 1.049 239 K CA 1.922 58.295 56.287 0.143 0.000 0.933 239 K CB -0.149 32.398 32.500 0.078 0.000 0.717 239 K HN 0.971 nan 8.250 nan 0.000 0.442 240 T N -3.895 110.718 114.554 0.099 0.000 2.901 240 T HA 0.230 4.579 4.350 -0.001 0.000 0.293 240 T C 0.626 175.030 174.700 -0.493 0.000 1.084 240 T CA -0.626 61.408 62.100 -0.110 0.000 1.008 240 T CB 1.639 70.460 68.868 -0.080 0.000 1.170 240 T HN 0.021 nan 8.240 nan 0.000 0.509 241 D N 0.577 120.398 120.400 -0.966 0.000 2.133 241 D HA -0.237 4.402 4.640 -0.001 0.000 0.192 241 D C 2.067 178.234 176.300 -0.221 0.000 1.001 241 D CA 1.872 55.406 54.000 -0.776 0.000 0.844 241 D CB 0.017 40.525 40.800 -0.487 0.000 0.944 241 D HN 0.631 nan 8.370 nan 0.000 0.447 242 R N -0.187 120.249 120.500 -0.106 0.000 2.075 242 R HA -0.037 4.302 4.340 -0.001 0.000 0.232 242 R C 2.490 178.807 176.300 0.029 0.000 1.126 242 R CA 1.221 57.341 56.100 0.034 0.000 0.963 242 R CB -0.340 29.964 30.300 0.007 0.000 0.858 242 R HN 0.299 nan 8.270 nan 0.000 0.435 243 I N 1.127 121.677 120.570 -0.033 0.000 2.226 243 I HA -0.281 3.888 4.170 -0.001 0.000 0.245 243 I C 2.824 178.921 176.117 -0.033 0.000 1.100 243 I CA 1.095 62.381 61.300 -0.022 0.000 1.374 243 I CB -0.409 37.577 38.000 -0.024 0.000 1.057 243 I HN 0.243 nan 8.210 nan 0.000 0.413 244 R N 1.210 121.655 120.500 -0.092 0.000 2.103 244 R HA -0.220 4.119 4.340 -0.001 0.000 0.242 244 R C 2.195 178.392 176.300 -0.171 0.000 1.142 244 R CA 2.087 58.096 56.100 -0.151 0.000 0.960 244 R CB -0.570 29.584 30.300 -0.243 0.000 0.858 244 R HN 0.232 nan 8.270 nan 0.000 0.439 245 F N 1.100 121.052 119.950 0.004 0.000 2.234 245 F HA 0.002 4.528 4.527 -0.001 0.000 0.296 245 F C 2.243 178.059 175.800 0.027 0.000 1.089 245 F CA 1.005 59.022 58.000 0.028 0.000 1.343 245 F CB -0.467 38.546 39.000 0.022 0.000 1.040 245 F HN 0.097 nan 8.300 nan 0.000 0.498 246 N N 0.039 118.843 118.700 0.173 0.000 2.270 246 N HA -0.107 4.632 4.740 -0.001 0.000 0.181 246 N C 1.713 177.257 175.510 0.056 0.000 1.016 246 N CA 0.880 53.993 53.050 0.106 0.000 0.870 246 N CB -0.304 38.221 38.487 0.064 0.000 0.979 246 N HN 0.194 nan 8.380 nan 0.000 0.431 247 E N 0.512 120.719 120.200 0.013 0.000 2.150 247 E HA 0.010 4.359 4.350 -0.001 0.000 0.193 247 E C 1.836 178.430 176.600 -0.010 0.000 0.985 247 E CA 0.514 56.888 56.400 -0.044 0.000 0.814 247 E CB -0.239 29.398 29.700 -0.106 0.000 0.752 247 E HN 0.234 nan 8.360 nan 0.000 0.466 248 S N 1.139 116.865 115.700 0.044 0.000 2.368 248 S HA -0.180 4.289 4.470 -0.001 0.000 0.224 248 S C 2.010 176.684 174.600 0.122 0.000 1.029 248 S CA 1.385 59.637 58.200 0.087 0.000 0.988 248 S CB -0.133 63.136 63.200 0.115 0.000 0.838 248 S HN 0.375 nan 8.310 nan 0.000 0.462 249 E N 1.817 122.100 120.200 0.139 0.000 2.085 249 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 249 E C 2.053 178.739 176.600 0.142 0.000 0.994 249 E CA 1.353 57.844 56.400 0.151 0.000 0.801 249 E CB -0.147 29.638 29.700 0.143 0.000 0.743 249 E HN 0.472 nan 8.360 nan 0.000 0.453 250 K N 0.370 120.832 120.400 0.104 0.000 2.057 250 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 250 K C 2.217 178.906 176.600 0.147 0.000 1.049 250 K CA 1.292 57.641 56.287 0.104 0.000 0.931 250 K CB -0.149 32.372 32.500 0.035 0.000 0.714 250 K HN 0.251 nan 8.250 nan 0.000 0.440 251 L N 0.939 122.224 121.223 0.103 0.000 2.056 251 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 251 L C 2.446 179.471 176.870 0.258 0.000 1.078 251 L CA 0.931 55.864 54.840 0.154 0.000 0.749 251 L CB -0.229 41.879 42.059 0.081 0.000 0.901 251 L HN 0.228 nan 8.230 nan 0.000 0.433 252 L N -1.243 120.096 121.223 0.192 0.000 2.072 252 L HA -0.171 4.169 4.340 -0.001 0.000 0.205 252 L C 2.581 179.587 176.870 0.226 0.000 1.079 252 L CA 1.235 56.167 54.840 0.154 0.000 0.752 252 L CB -0.731 41.452 42.059 0.207 0.000 0.906 252 L HN 0.220 nan 8.230 nan 0.000 0.436 253 T N -1.058 113.666 114.554 0.285 0.000 2.635 253 T HA -0.293 4.056 4.350 -0.001 0.000 0.267 253 T C 1.345 176.240 174.700 0.326 0.000 1.040 253 T CA 1.958 64.238 62.100 0.301 0.000 1.156 253 T CB -0.475 68.529 68.868 0.227 0.000 0.863 253 T HN 0.517 nan 8.240 nan 0.000 0.430 254 W N 1.783 123.194 121.300 0.184 0.000 2.318 254 W HA -0.129 4.530 4.660 -0.001 0.000 0.313 254 W C 2.432 179.172 176.519 0.367 0.000 1.221 254 W CA 1.477 59.004 57.345 0.303 0.000 1.266 254 W CB -0.919 28.709 29.460 0.280 0.000 1.150 254 W HN 0.266 nan 8.180 nan 0.000 0.496 255 G N -0.145 108.814 108.800 0.266 0.000 2.459 255 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.217 255 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.217 255 G C 1.342 176.209 174.900 -0.056 0.000 1.183 255 G CA 1.219 46.309 45.100 -0.017 0.000 0.776 255 G HN 0.291 nan 8.290 nan 0.000 0.552 256 F N 0.676 120.683 119.950 0.095 0.000 2.216 256 F HA 0.052 4.578 4.527 -0.001 0.000 0.300 256 F C 2.660 178.411 175.800 -0.081 0.000 1.085 256 F CA 1.238 59.252 58.000 0.024 0.000 1.326 256 F CB -0.370 38.643 39.000 0.021 0.000 1.027 256 F HN 0.062 nan 8.300 nan 0.000 0.497 257 R N -0.757 119.733 120.500 -0.017 0.000 2.115 257 R HA -0.117 4.222 4.340 -0.001 0.000 0.230 257 R C 1.305 177.224 176.300 -0.634 0.000 1.111 257 R CA 1.540 57.421 56.100 -0.366 0.000 0.976 257 R CB -0.215 29.744 30.300 -0.569 0.000 0.870 257 R HN 0.252 nan 8.270 nan 0.000 0.445 258 F N -1.824 117.922 119.950 -0.339 0.000 2.724 258 F HA 0.338 4.864 4.527 -0.001 0.000 0.306 258 F C -0.106 175.198 175.800 -0.827 0.000 1.100 258 F CA -0.273 57.336 58.000 -0.652 0.000 1.255 258 F CB 0.601 38.970 39.000 -1.051 0.000 1.072 258 F HN -0.191 nan 8.300 nan 0.000 0.589 259 F N 0.308 120.197 119.950 -0.103 0.000 2.593 259 F HA 0.484 5.010 4.527 -0.001 0.000 0.320 259 F C -0.191 175.583 175.800 -0.044 0.000 1.060 259 F CA -1.250 56.693 58.000 -0.094 0.000 0.940 259 F CB 1.577 40.479 39.000 -0.163 0.000 1.268 259 F HN -0.188 nan 8.300 nan 0.000 0.475 260 E N -0.589 119.715 120.200 0.173 0.000 2.393 260 E HA 0.629 4.978 4.350 -0.001 0.000 0.273 260 E C -1.730 174.918 176.600 0.080 0.000 0.918 260 E CA -1.084 55.382 56.400 0.110 0.000 0.773 260 E CB 2.175 31.912 29.700 0.061 0.000 1.275 260 E HN 0.395 nan 8.360 nan 0.000 0.451 261 T N 1.314 115.902 114.554 0.057 0.000 2.779 261 T HA 0.471 4.821 4.350 -0.001 0.000 0.280 261 T C -0.267 174.430 174.700 -0.004 0.000 0.987 261 T CA -0.645 61.462 62.100 0.013 0.000 0.966 261 T CB 1.073 69.953 68.868 0.021 0.000 0.933 261 T HN 0.486 nan 8.240 nan 0.000 0.442 262 V N 1.111 120.998 119.914 -0.045 0.000 2.960 262 V HA 0.875 4.995 4.120 -0.001 0.000 0.315 262 V C -0.301 175.737 176.094 -0.093 0.000 1.087 262 V CA -0.847 61.422 62.300 -0.051 0.000 0.982 262 V CB 2.184 33.979 31.823 -0.047 0.000 1.039 262 V HN 0.756 nan 8.190 nan 0.000 0.437 263 T N 3.693 118.208 114.554 -0.065 0.000 3.150 263 T HA 0.425 4.774 4.350 -0.001 0.000 0.383 263 T C -1.837 172.840 174.700 -0.039 0.000 1.313 263 T CA -0.662 61.395 62.100 -0.071 0.000 1.235 263 T CB 1.113 69.962 68.868 -0.032 0.000 1.088 263 T HN 0.774 nan 8.240 nan 0.000 0.556 264 P HA 0.098 nan 4.420 nan 0.000 0.222 264 P C 0.075 177.424 177.300 0.083 0.000 1.147 264 P CA 0.662 63.786 63.100 0.041 0.000 0.790 264 P CB 0.387 32.146 31.700 0.099 0.000 0.780 265 I N -0.463 120.143 120.570 0.060 0.000 2.468 265 I HA 0.268 4.437 4.170 -0.001 0.000 0.284 265 I C 0.192 176.332 176.117 0.038 0.000 1.038 265 I CA -0.968 60.368 61.300 0.061 0.000 1.083 265 I CB 2.182 40.192 38.000 0.017 0.000 1.223 265 I HN -0.302 nan 8.210 nan 0.000 0.443 266 K N 6.082 126.508 120.400 0.043 0.000 2.107 266 K HA 0.309 4.628 4.320 -0.001 0.000 0.251 266 K C -1.608 175.009 176.600 0.028 0.000 1.012 266 K CA -1.344 54.960 56.287 0.029 0.000 0.920 266 K CB 0.753 33.273 32.500 0.033 0.000 1.033 266 K HN 0.191 nan 8.250 nan 0.000 0.478 267 P HA -0.153 nan 4.420 nan 0.000 0.216 267 P C -0.241 177.073 177.300 0.023 0.000 1.150 267 P CA 1.442 64.554 63.100 0.020 0.000 0.843 267 P CB 0.241 31.954 31.700 0.021 0.000 0.787 268 D N -2.031 118.384 120.400 0.026 0.000 2.363 268 D HA 0.222 4.861 4.640 -0.001 0.000 0.214 268 D C 0.416 176.733 176.300 0.028 0.000 1.093 268 D CA -0.068 53.947 54.000 0.024 0.000 0.837 268 D CB -0.123 40.690 40.800 0.021 0.000 0.948 268 D HN 0.059 nan 8.370 nan 0.000 0.507 269 A N -0.036 122.807 122.820 0.038 0.000 2.316 269 A HA 0.509 4.828 4.320 -0.001 0.000 0.284 269 A C 0.391 178.011 177.584 0.060 0.000 1.115 269 A CA -0.377 51.690 52.037 0.050 0.000 0.812 269 A CB 0.490 19.530 19.000 0.066 0.000 1.064 269 A HN 0.051 nan 8.150 nan 0.000 0.489 270 T N 2.486 117.071 114.554 0.052 0.000 2.737 270 T HA 0.221 4.570 4.350 -0.001 0.000 0.296 270 T C 0.594 175.353 174.700 0.098 0.000 0.922 270 T CA 0.119 62.248 62.100 0.048 0.000 1.079 270 T CB 0.151 69.021 68.868 0.003 0.000 0.892 270 T HN 0.533 nan 8.240 nan 0.000 0.514 271 F N 4.695 124.608 119.950 -0.062 0.000 2.219 271 F HA 0.437 4.963 4.527 -0.001 0.000 0.294 271 F C 0.544 176.276 175.800 -0.113 0.000 1.086 271 F CA 0.215 58.172 58.000 -0.071 0.000 1.330 271 F CB 0.285 39.232 39.000 -0.089 0.000 1.047 271 F HN 0.378 nan 8.300 nan 0.000 0.495 272 V N 0.121 119.857 119.914 -0.297 0.000 3.077 272 V HA 0.421 4.541 4.120 -0.001 0.000 0.299 272 V C -0.990 174.955 176.094 -0.248 0.000 1.276 272 V CA -0.080 61.965 62.300 -0.425 0.000 0.993 272 V CB 1.900 33.255 31.823 -0.780 0.000 1.076 272 V HN 0.328 nan 8.190 nan 0.000 0.434 273 T N 2.896 117.337 114.554 -0.187 0.000 2.895 273 T HA 0.814 5.163 4.350 -0.001 0.000 0.283 273 T C -0.815 173.817 174.700 -0.114 0.000 1.014 273 T CA -0.632 61.392 62.100 -0.127 0.000 1.037 273 T CB 1.892 70.706 68.868 -0.091 0.000 1.006 273 T HN 0.654 nan 8.240 nan 0.000 0.468 274 Q N 1.132 120.879 119.800 -0.088 0.000 2.397 274 Q HA 0.386 4.726 4.340 -0.001 0.000 0.275 274 Q C -0.389 175.569 176.000 -0.069 0.000 1.090 274 Q CA -0.859 54.908 55.803 -0.060 0.000 0.809 274 Q CB 2.685 31.403 28.738 -0.034 0.000 1.362 274 Q HN 0.744 nan 8.270 nan 0.000 0.431 275 R N 0.856 121.307 120.500 -0.083 0.000 2.583 275 R HA 0.142 4.481 4.340 -0.001 0.000 0.274 275 R C -0.783 175.437 176.300 -0.133 0.000 0.998 275 R CA 0.356 56.361 56.100 -0.157 0.000 1.081 275 R CB 0.242 30.405 30.300 -0.228 0.000 0.940 275 R HN 0.296 nan 8.270 nan 0.000 0.413 276 V N 5.075 124.877 119.914 -0.186 0.000 2.604 276 V HA 0.297 4.416 4.120 -0.001 0.000 0.305 276 V C -0.758 175.196 176.094 -0.232 0.000 1.043 276 V CA -0.852 61.383 62.300 -0.109 0.000 0.888 276 V CB 1.645 33.440 31.823 -0.047 0.000 0.995 276 V HN 0.726 nan 8.190 nan 0.000 0.429 277 W N 4.438 125.596 121.300 -0.238 0.000 2.417 277 W HA 0.702 5.362 4.660 -0.001 0.000 0.317 277 W C 0.067 176.401 176.519 -0.309 0.000 1.121 277 W CA -0.318 56.720 57.345 -0.512 0.000 1.208 277 W CB 0.714 29.611 29.460 -0.939 0.000 1.253 277 W HN 0.585 nan 8.180 nan 0.000 0.533 278 F N 0.300 120.375 119.950 0.208 0.000 2.893 278 F HA -0.136 4.390 4.527 -0.001 0.000 0.287 278 F C 0.660 176.508 175.800 0.080 0.000 0.766 278 F CA 0.227 58.312 58.000 0.142 0.000 1.362 278 F CB -1.861 37.230 39.000 0.152 0.000 1.518 278 F HN 0.404 nan 8.300 nan 0.000 0.417 279 G N 0.209 109.117 108.800 0.180 0.000 2.644 279 G HA2 0.527 4.486 3.960 -0.001 0.000 0.307 279 G HA3 0.527 4.486 3.960 -0.001 0.000 0.307 279 G C 0.379 175.319 174.900 0.067 0.000 1.250 279 G CA 0.034 45.198 45.100 0.106 0.000 0.996 279 G HN 0.116 nan 8.290 nan 0.000 0.489 280 D N -1.241 119.187 120.400 0.046 0.000 2.363 280 D HA 0.031 4.670 4.640 -0.001 0.000 0.226 280 D C 0.401 176.706 176.300 0.009 0.000 1.020 280 D CA 0.606 54.622 54.000 0.027 0.000 0.892 280 D CB 0.216 41.031 40.800 0.024 0.000 0.900 280 D HN 0.264 nan 8.370 nan 0.000 0.531 281 K N -0.575 119.826 120.400 0.001 0.000 2.426 281 K HA 0.330 4.649 4.320 -0.001 0.000 0.251 281 K C 0.469 177.044 176.600 -0.042 0.000 0.941 281 K CA -0.489 55.786 56.287 -0.019 0.000 0.808 281 K CB 2.092 34.581 32.500 -0.018 0.000 1.265 281 K HN -0.104 nan 8.250 nan 0.000 0.432 282 S N 0.292 115.952 115.700 -0.066 0.000 2.527 282 S HA -0.045 4.424 4.470 -0.001 0.000 0.222 282 S C 0.289 174.809 174.600 -0.132 0.000 0.985 282 S CA 0.107 58.237 58.200 -0.116 0.000 0.921 282 S CB -0.356 62.771 63.200 -0.122 0.000 0.772 282 S HN 0.693 nan 8.310 nan 0.000 0.529 283 E N -0.398 119.747 120.200 -0.091 0.000 2.433 283 E HA 0.695 5.044 4.350 -0.001 0.000 0.278 283 E C -1.876 174.689 176.600 -0.058 0.000 0.976 283 E CA -1.135 55.214 56.400 -0.085 0.000 0.793 283 E CB 1.990 31.640 29.700 -0.084 0.000 1.311 283 E HN -0.006 nan 8.360 nan 0.000 0.460 284 V N 1.093 120.975 119.914 -0.054 0.000 2.709 284 V HA 0.370 4.489 4.120 -0.001 0.000 0.308 284 V C -1.300 174.766 176.094 -0.046 0.000 1.062 284 V CA -0.779 61.498 62.300 -0.039 0.000 0.901 284 V CB 1.777 33.584 31.823 -0.026 0.000 1.003 284 V HN 0.774 nan 8.190 nan 0.000 0.425 285 N N 6.228 124.906 118.700 -0.036 0.000 2.470 285 N HA 0.495 5.234 4.740 -0.001 0.000 0.268 285 N C -0.959 174.532 175.510 -0.033 0.000 1.136 285 N CA -0.267 52.761 53.050 -0.037 0.000 0.961 285 N CB 0.797 39.272 38.487 -0.020 0.000 1.067 285 N HN 0.513 nan 8.380 nan 0.000 0.468 286 L N 1.274 122.468 121.223 -0.049 0.000 2.334 286 L HA 0.773 5.112 4.340 -0.001 0.000 0.273 286 L C 0.839 177.719 176.870 0.017 0.000 1.013 286 L CA -0.677 54.142 54.840 -0.035 0.000 0.816 286 L CB 1.881 43.889 42.059 -0.084 0.000 1.278 286 L HN 0.629 nan 8.230 nan 0.000 0.431 287 G N -0.005 108.817 108.800 0.036 0.000 2.753 287 G HA2 0.529 4.488 3.960 -0.001 0.000 0.303 287 G HA3 0.529 4.488 3.960 -0.001 0.000 0.303 287 G C -0.381 174.529 174.900 0.017 0.000 1.242 287 G CA 0.266 45.408 45.100 0.069 0.000 0.810 287 G HN 0.587 nan 8.290 nan 0.000 0.515 288 A N -1.393 121.428 122.820 0.001 0.000 2.252 288 A HA 0.594 4.914 4.320 -0.001 0.000 0.213 288 A C 1.831 179.416 177.584 0.001 0.000 1.188 288 A CA 1.422 53.452 52.037 -0.012 0.000 0.863 288 A CB -0.800 18.195 19.000 -0.008 0.000 0.893 288 A HN 2.617 nan 8.150 nan 0.000 0.495 289 G N 0.172 108.976 108.800 0.008 0.000 2.614 289 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.303 289 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.303 289 G C 0.618 175.519 174.900 0.001 0.000 1.270 289 G CA 0.772 45.876 45.100 0.007 0.000 0.988 289 G HN 0.336 nan 8.290 nan 0.000 0.551 290 E N 1.114 121.309 120.200 -0.008 0.000 2.516 290 E HA 0.405 4.754 4.350 -0.001 0.000 0.199 290 E C 2.175 178.750 176.600 -0.041 0.000 1.069 290 E CA 1.320 57.707 56.400 -0.021 0.000 0.876 290 E CB -0.308 29.374 29.700 -0.029 0.000 0.843 290 E HN 0.971 nan 8.360 nan 0.000 0.530 291 A N -0.498 122.305 122.820 -0.029 0.000 2.545 291 A HA 0.383 4.702 4.320 -0.001 0.000 0.277 291 A C 1.547 179.131 177.584 0.000 0.000 1.301 291 A CA 0.292 52.310 52.037 -0.032 0.000 0.935 291 A CB -0.031 18.956 19.000 -0.021 0.000 1.093 291 A HN 0.184 nan 8.150 nan 0.000 0.519 292 G N -0.560 108.238 108.800 -0.003 0.000 3.233 292 G HA2 0.309 4.269 3.960 -0.001 0.000 0.227 292 G HA3 0.309 4.269 3.960 -0.001 0.000 0.227 292 G C 0.298 175.137 174.900 -0.102 0.000 1.175 292 G CA 0.147 45.267 45.100 0.032 0.000 0.781 292 G HN 0.358 nan 8.290 nan 0.000 0.542 293 S N -0.629 114.988 115.700 -0.138 0.000 2.585 293 S HA 0.642 5.112 4.470 -0.001 0.000 0.277 293 S C -0.422 174.003 174.600 -0.292 0.000 1.241 293 S CA -0.373 57.711 58.200 -0.193 0.000 1.041 293 S CB 2.235 65.364 63.200 -0.118 0.000 0.987 293 S HN 0.007 nan 8.310 nan 0.000 0.512 294 V N 2.260 121.979 119.914 -0.326 0.000 2.841 294 V HA 0.474 4.593 4.120 -0.001 0.000 0.310 294 V C -0.367 175.618 176.094 -0.181 0.000 1.090 294 V CA -0.800 61.289 62.300 -0.352 0.000 0.930 294 V CB 2.425 33.879 31.823 -0.615 0.000 1.014 294 V HN 0.886 nan 8.190 nan 0.000 0.425 295 T N 6.061 120.542 114.554 -0.122 0.000 2.771 295 T HA 0.773 5.122 4.350 -0.001 0.000 0.281 295 T C -0.268 174.444 174.700 0.020 0.000 0.982 295 T CA -0.161 61.909 62.100 -0.050 0.000 0.978 295 T CB 0.762 69.572 68.868 -0.097 0.000 0.930 295 T HN 0.658 nan 8.240 nan 0.000 0.447 296 I N 0.332 120.967 120.570 0.108 0.000 3.174 296 I HA 0.730 4.899 4.170 -0.001 0.000 0.313 296 I C -3.115 173.138 176.117 0.228 0.000 1.155 296 I CA -3.674 57.718 61.300 0.153 0.000 0.977 296 I CB 2.043 40.077 38.000 0.056 0.000 1.248 296 I HN 0.250 nan 8.210 nan 0.000 0.453 297 P HA 0.224 nan 4.420 nan 0.000 0.271 297 P C -0.973 176.281 177.300 -0.076 0.000 1.218 297 P CA -0.214 62.807 63.100 -0.132 0.000 0.780 297 P CB 0.443 32.048 31.700 -0.158 0.000 0.901 298 R N 1.454 121.883 120.500 -0.119 0.000 2.623 298 R HA 0.281 4.621 4.340 -0.001 0.000 0.271 298 R C 1.418 177.697 176.300 -0.035 0.000 1.043 298 R CA 1.118 57.184 56.100 -0.058 0.000 1.083 298 R CB -0.537 29.717 30.300 -0.076 0.000 0.974 298 R HN 0.892 nan 8.270 nan 0.000 0.436 299 G N 1.270 110.060 108.800 -0.017 0.000 2.225 299 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.254 299 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.254 299 G C 0.669 175.569 174.900 -0.001 0.000 0.988 299 G CA -0.109 44.986 45.100 -0.009 0.000 0.625 299 G HN 0.562 nan 8.290 nan 0.000 0.527 300 Q N -0.297 119.503 119.800 0.001 0.000 2.280 300 Q HA 0.318 4.658 4.340 -0.001 0.000 0.202 300 Q C 2.319 178.330 176.000 0.018 0.000 0.903 300 Q CA 0.280 56.089 55.803 0.010 0.000 0.948 300 Q CB 0.308 29.053 28.738 0.011 0.000 1.058 300 Q HN 0.573 nan 8.270 nan 0.000 0.493 301 L N 2.074 123.307 121.223 0.015 0.000 1.989 301 L HA -0.234 4.105 4.340 -0.001 0.000 0.211 301 L C 2.115 179.003 176.870 0.029 0.000 1.071 301 L CA 2.198 57.049 54.840 0.019 0.000 0.749 301 L CB -0.520 41.547 42.059 0.014 0.000 0.890 301 L HN 0.165 nan 8.230 nan 0.000 0.431 302 K N -1.178 119.238 120.400 0.026 0.000 2.366 302 K HA -0.169 4.150 4.320 -0.001 0.000 0.202 302 K C 0.920 177.542 176.600 0.036 0.000 1.045 302 K CA 1.863 58.169 56.287 0.031 0.000 0.934 302 K CB -0.594 31.920 32.500 0.024 0.000 0.746 302 K HN 0.408 nan 8.250 nan 0.000 0.470 303 N N 0.377 119.099 118.700 0.036 0.000 2.203 303 N HA 0.081 4.820 4.740 -0.001 0.000 0.207 303 N C -0.721 174.822 175.510 0.054 0.000 1.130 303 N CA -0.179 52.896 53.050 0.040 0.000 0.861 303 N CB 0.427 38.933 38.487 0.032 0.000 1.005 303 N HN 0.157 nan 8.380 nan 0.000 0.507 304 L N 1.112 122.372 121.223 0.062 0.000 2.289 304 L HA 0.386 4.725 4.340 -0.001 0.000 0.285 304 L C -0.494 176.447 176.870 0.118 0.000 1.049 304 L CA -0.131 54.761 54.840 0.088 0.000 0.804 304 L CB 0.750 42.850 42.059 0.070 0.000 1.195 304 L HN -0.153 nan 8.230 nan 0.000 0.428 305 K N 4.284 124.771 120.400 0.144 0.000 2.427 305 K HA 0.812 5.131 4.320 -0.001 0.000 0.252 305 K C -1.244 175.463 176.600 0.177 0.000 0.931 305 K CA -0.807 55.569 56.287 0.150 0.000 0.793 305 K CB 2.055 34.618 32.500 0.104 0.000 1.211 305 K HN 0.714 nan 8.250 nan 0.000 0.426 306 A N 1.566 124.498 122.820 0.186 0.000 2.312 306 A HA 0.697 5.016 4.320 -0.001 0.000 0.326 306 A C -0.617 177.070 177.584 0.172 0.000 1.172 306 A CA -0.425 51.644 52.037 0.053 0.000 0.821 306 A CB 1.340 20.293 19.000 -0.078 0.000 1.166 306 A HN 0.529 nan 8.150 nan 0.000 0.493 307 S N -0.501 115.230 115.700 0.052 0.000 2.599 307 S HA 0.806 5.276 4.470 -0.001 0.000 0.287 307 S C -1.528 173.210 174.600 0.230 0.000 1.105 307 S CA -0.352 57.933 58.200 0.142 0.000 0.899 307 S CB 1.359 64.562 63.200 0.005 0.000 1.100 307 S HN 0.932 nan 8.310 nan 0.000 0.482 308 Y N -0.843 119.526 120.300 0.116 0.000 2.524 308 Y HA 0.787 5.337 4.550 -0.001 0.000 0.347 308 Y C -0.386 175.532 175.900 0.030 0.000 1.005 308 Y CA -1.047 57.099 58.100 0.077 0.000 1.025 308 Y CB 0.626 39.198 38.460 0.186 0.000 1.275 308 Y HN 0.575 nan 8.280 nan 0.000 0.460 309 T N 1.246 115.833 114.554 0.056 0.000 2.918 309 T HA 0.754 5.104 4.350 -0.001 0.000 0.286 309 T C -0.835 173.961 174.700 0.160 0.000 1.026 309 T CA -0.893 61.214 62.100 0.011 0.000 1.031 309 T CB 1.456 70.312 68.868 -0.020 0.000 1.046 309 T HN 0.766 nan 8.240 nan 0.000 0.479 310 L N 2.517 123.816 121.223 0.127 0.000 2.307 310 L HA 0.377 4.716 4.340 -0.001 0.000 0.282 310 L C 2.016 178.925 176.870 0.065 0.000 1.051 310 L CA -0.827 54.090 54.840 0.127 0.000 0.804 310 L CB 1.711 43.852 42.059 0.138 0.000 1.197 310 L HN 1.080 nan 8.230 nan 0.000 0.431 311 T N -1.363 113.224 114.554 0.054 0.000 2.904 311 T HA -0.001 4.348 4.350 -0.001 0.000 0.267 311 T C 0.461 175.177 174.700 0.026 0.000 1.059 311 T CA 0.633 62.753 62.100 0.033 0.000 1.137 311 T CB -0.087 68.796 68.868 0.026 0.000 0.879 311 T HN 0.538 nan 8.240 nan 0.000 0.467 312 E N 1.370 121.590 120.200 0.033 0.000 2.248 312 E HA 0.418 4.767 4.350 -0.001 0.000 0.267 312 E C -2.299 174.324 176.600 0.038 0.000 0.877 312 E CA -2.347 54.068 56.400 0.026 0.000 0.759 312 E CB 2.059 31.771 29.700 0.020 0.000 1.182 312 E HN -0.011 nan 8.360 nan 0.000 0.418 313 P HA -0.064 nan 4.420 nan 0.000 0.233 313 P C -0.578 176.761 177.300 0.066 0.000 1.167 313 P CA 0.710 63.835 63.100 0.043 0.000 0.770 313 P CB 0.455 32.169 31.700 0.024 0.000 0.837 314 Q N -0.016 119.817 119.800 0.054 0.000 2.337 314 Q HA 0.431 4.770 4.340 -0.001 0.000 0.270 314 Q C -0.619 175.437 176.000 0.093 0.000 1.043 314 Q CA -0.635 55.227 55.803 0.100 0.000 0.794 314 Q CB 2.516 31.243 28.738 -0.017 0.000 1.281 314 Q HN 0.135 nan 8.270 nan 0.000 0.446 315 L N 2.074 123.385 121.223 0.147 0.000 2.325 315 L HA 0.554 4.893 4.340 -0.001 0.000 0.279 315 L C 0.301 177.257 176.870 0.143 0.000 1.054 315 L CA -0.482 54.423 54.840 0.108 0.000 0.804 315 L CB 1.496 43.600 42.059 0.076 0.000 1.200 315 L HN 0.694 nan 8.230 nan 0.000 0.436 316 T N -0.424 114.190 114.554 0.100 0.000 2.876 316 T HA 0.731 5.081 4.350 -0.001 0.000 0.289 316 T C -0.190 174.580 174.700 0.116 0.000 1.014 316 T CA -0.823 61.350 62.100 0.121 0.000 0.986 316 T CB 1.981 70.922 68.868 0.122 0.000 1.021 316 T HN 0.640 nan 8.240 nan 0.000 0.458 317 A N 3.688 126.593 122.820 0.143 0.000 2.366 317 A HA 0.694 5.014 4.320 -0.001 0.000 0.249 317 A C -1.943 175.708 177.584 0.112 0.000 1.084 317 A CA -1.360 50.747 52.037 0.116 0.000 0.794 317 A CB -0.588 18.490 19.000 0.130 0.000 1.034 317 A HN 0.801 nan 8.150 nan 0.000 0.491 318 P HA 0.451 nan 4.420 nan 0.000 0.277 318 P C -1.108 176.220 177.300 0.048 0.000 1.240 318 P CA -0.063 63.071 63.100 0.058 0.000 0.798 318 P CB 0.804 32.532 31.700 0.045 0.000 0.979 319 L N 1.554 122.800 121.223 0.038 0.000 2.362 319 L HA 0.506 4.846 4.340 -0.001 0.000 0.271 319 L C 0.563 177.447 176.870 0.022 0.000 1.002 319 L CA -0.832 54.025 54.840 0.029 0.000 0.818 319 L CB 2.166 44.240 42.059 0.025 0.000 1.298 319 L HN 0.248 nan 8.230 nan 0.000 0.420 320 K N 1.957 122.368 120.400 0.019 0.000 2.207 320 K HA 0.312 4.632 4.320 -0.001 0.000 0.255 320 K C -0.658 175.950 176.600 0.014 0.000 0.941 320 K CA -0.979 55.318 56.287 0.016 0.000 0.825 320 K CB 2.416 34.926 32.500 0.016 0.000 1.119 320 K HN 0.409 nan 8.250 nan 0.000 0.430 321 K N 0.661 121.068 120.400 0.012 0.000 2.473 321 K HA -0.121 4.198 4.320 -0.001 0.000 0.277 321 K C 0.689 177.296 176.600 0.011 0.000 1.052 321 K CA 1.544 57.837 56.287 0.011 0.000 1.114 321 K CB -0.126 32.381 32.500 0.011 0.000 0.869 321 K HN 0.868 nan 8.250 nan 0.000 0.481 322 G N 2.605 111.411 108.800 0.010 0.000 2.213 322 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.226 322 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.226 322 G C 0.013 174.918 174.900 0.009 0.000 0.992 322 G CA 0.147 45.252 45.100 0.009 0.000 0.632 322 G HN 0.669 nan 8.290 nan 0.000 0.511 323 Q N 0.989 120.795 119.800 0.011 0.000 2.300 323 Q HA 0.404 4.743 4.340 -0.001 0.000 0.280 323 Q C 0.648 176.655 176.000 0.011 0.000 1.033 323 Q CA 0.295 56.106 55.803 0.012 0.000 0.903 323 Q CB 1.074 29.821 28.738 0.015 0.000 1.195 323 Q HN 0.947 nan 8.270 nan 0.000 0.386 324 V N 5.174 125.095 119.914 0.011 0.000 2.461 324 V HA 0.285 4.404 4.120 -0.001 0.000 0.275 324 V C 0.266 176.371 176.094 0.018 0.000 1.047 324 V CA 0.224 62.531 62.300 0.012 0.000 0.955 324 V CB 1.179 33.007 31.823 0.009 0.000 0.988 324 V HN 0.733 nan 8.190 nan 0.000 0.471 325 V N 3.412 123.340 119.914 0.023 0.000 3.346 325 V HA 0.903 5.022 4.120 -0.001 0.000 0.309 325 V C 0.612 176.734 176.094 0.047 0.000 1.457 325 V CA 0.621 62.940 62.300 0.032 0.000 1.069 325 V CB -0.503 31.338 31.823 0.030 0.000 0.944 325 V HN 1.511 nan 8.190 nan 0.000 0.449 326 G N 0.269 109.096 108.800 0.045 0.000 2.325 326 G HA2 0.500 4.459 3.960 -0.001 0.000 0.295 326 G HA3 0.500 4.459 3.960 -0.001 0.000 0.295 326 G C -0.801 174.129 174.900 0.050 0.000 1.274 326 G CA 0.255 45.395 45.100 0.067 0.000 0.857 326 G HN 0.977 nan 8.290 nan 0.000 0.499 327 T N -1.429 113.163 114.554 0.062 0.000 2.916 327 T HA 0.703 5.052 4.350 -0.001 0.000 0.298 327 T C -0.660 174.050 174.700 0.016 0.000 1.031 327 T CA -0.569 61.545 62.100 0.023 0.000 0.993 327 T CB 1.308 70.180 68.868 0.007 0.000 1.045 327 T HN 0.645 nan 8.240 nan 0.000 0.454 328 I N 3.068 123.591 120.570 -0.079 0.000 2.365 328 I HA 0.396 4.565 4.170 -0.001 0.000 0.291 328 I C -0.181 175.745 176.117 -0.319 0.000 1.004 328 I CA -0.523 60.633 61.300 -0.239 0.000 1.311 328 I CB 1.279 38.972 38.000 -0.512 0.000 1.401 328 I HN 0.672 nan 8.210 nan 0.000 0.491 329 D N 6.195 126.408 120.400 -0.311 0.000 2.303 329 D HA 0.378 5.017 4.640 -0.001 0.000 0.236 329 D C -1.166 174.939 176.300 -0.325 0.000 1.068 329 D CA -0.223 53.645 54.000 -0.220 0.000 0.830 329 D CB 0.666 41.415 40.800 -0.086 0.000 1.109 329 D HN 0.109 nan 8.370 nan 0.000 0.496 330 F N 2.301 122.243 119.950 -0.014 0.000 2.410 330 F HA 0.384 4.910 4.527 -0.001 0.000 0.349 330 F C 0.818 176.622 175.800 0.007 0.000 1.117 330 F CA -0.587 57.406 58.000 -0.011 0.000 1.104 330 F CB 1.324 40.307 39.000 -0.028 0.000 1.122 330 F HN 0.090 nan 8.300 nan 0.000 0.483 331 Q N 3.006 122.917 119.800 0.184 0.000 2.353 331 Q HA 0.550 4.890 4.340 -0.001 0.000 0.268 331 Q C -1.551 174.513 176.000 0.107 0.000 1.045 331 Q CA -1.227 54.645 55.803 0.115 0.000 0.811 331 Q CB 3.110 31.891 28.738 0.073 0.000 1.305 331 Q HN 0.500 nan 8.270 nan 0.000 0.447 332 L N 3.332 124.605 121.223 0.082 0.000 2.294 332 L HA 0.385 4.724 4.340 -0.001 0.000 0.283 332 L C -0.586 176.315 176.870 0.052 0.000 1.015 332 L CA 0.202 55.082 54.840 0.067 0.000 0.831 332 L CB 0.719 42.816 42.059 0.063 0.000 1.217 332 L HN 0.685 nan 8.230 nan 0.000 0.420 333 N N 3.931 122.659 118.700 0.047 0.000 2.714 333 N HA -0.199 4.540 4.740 -0.001 0.000 0.250 333 N C 0.916 176.446 175.510 0.034 0.000 1.117 333 N CA 1.591 54.663 53.050 0.037 0.000 0.719 333 N CB -1.080 37.425 38.487 0.031 0.000 1.081 333 N HN 1.176 nan 8.380 nan 0.000 0.557 334 G N -1.440 107.384 108.800 0.039 0.000 2.241 334 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.244 334 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.244 334 G C 0.038 174.957 174.900 0.033 0.000 0.998 334 G CA 0.579 45.699 45.100 0.033 0.000 0.621 334 G HN 0.605 nan 8.290 nan 0.000 0.519 335 K N 1.376 121.799 120.400 0.038 0.000 2.183 335 K HA 0.575 4.894 4.320 -0.001 0.000 0.274 335 K C 0.383 177.013 176.600 0.050 0.000 1.009 335 K CA 0.149 56.459 56.287 0.038 0.000 0.888 335 K CB 1.155 33.677 32.500 0.036 0.000 1.078 335 K HN 0.191 nan 8.250 nan 0.000 0.459 336 S N 3.881 119.608 115.700 0.045 0.000 2.549 336 S HA 0.139 4.609 4.470 -0.001 0.000 0.283 336 S C 0.949 175.587 174.600 0.065 0.000 1.320 336 S CA -0.387 57.847 58.200 0.057 0.000 1.058 336 S CB 0.090 63.313 63.200 0.039 0.000 0.882 336 S HN 0.642 nan 8.310 nan 0.000 0.498 337 I N 0.389 121.013 120.570 0.090 0.000 4.670 337 I HA 0.588 4.757 4.170 -0.001 0.000 0.339 337 I C -0.033 176.135 176.117 0.084 0.000 1.310 337 I CA -0.430 60.917 61.300 0.079 0.000 1.288 337 I CB 0.159 38.205 38.000 0.077 0.000 1.427 337 I HN 0.558 nan 8.210 nan 0.000 0.494 338 E N 1.339 121.622 120.200 0.138 0.000 2.378 338 E HA 0.422 4.771 4.350 -0.001 0.000 0.283 338 E C -1.645 175.071 176.600 0.194 0.000 0.979 338 E CA -0.479 56.013 56.400 0.153 0.000 0.795 338 E CB 2.202 31.996 29.700 0.156 0.000 1.221 338 E HN 0.268 nan 8.360 nan 0.000 0.428 339 Q N 2.592 122.460 119.800 0.112 0.000 2.337 339 Q HA 0.527 4.866 4.340 -0.001 0.000 0.270 339 Q C -1.114 174.918 176.000 0.053 0.000 1.043 339 Q CA -0.941 54.895 55.803 0.056 0.000 0.794 339 Q CB 1.696 30.445 28.738 0.018 0.000 1.281 339 Q HN 0.294 nan 8.270 nan 0.000 0.446 340 R N 1.849 122.364 120.500 0.024 0.000 2.808 340 R HA 0.567 4.906 4.340 -0.001 0.000 0.272 340 R C -2.761 173.532 176.300 -0.011 0.000 0.995 340 R CA -2.371 53.745 56.100 0.028 0.000 0.917 340 R CB 1.088 31.445 30.300 0.094 0.000 1.217 340 R HN 0.439 nan 8.270 nan 0.000 0.471 341 P HA 0.132 nan 4.420 nan 0.000 0.271 341 P C -0.593 176.700 177.300 -0.011 0.000 1.216 341 P CA -0.512 62.585 63.100 -0.006 0.000 0.776 341 P CB 0.496 32.194 31.700 -0.003 0.000 0.881 342 L N 5.305 126.528 121.223 0.001 0.000 2.264 342 L HA 0.530 4.869 4.340 -0.001 0.000 0.289 342 L C -0.431 176.444 176.870 0.007 0.000 1.044 342 L CA -0.308 54.535 54.840 0.005 0.000 0.807 342 L CB -0.194 41.887 42.059 0.035 0.000 1.192 342 L HN 0.283 nan 8.230 nan 0.000 0.425 343 I N 2.641 123.213 120.570 0.003 0.000 2.785 343 I HA 0.587 4.757 4.170 -0.001 0.000 0.302 343 I C -0.703 175.416 176.117 0.003 0.000 1.069 343 I CA -1.195 60.108 61.300 0.005 0.000 1.045 343 I CB 2.008 40.010 38.000 0.004 0.000 1.236 343 I HN 0.195 nan 8.210 nan 0.000 0.429 344 V N 5.763 125.680 119.914 0.004 0.000 2.585 344 V HA 0.072 4.192 4.120 -0.001 0.000 0.296 344 V C 1.052 177.149 176.094 0.004 0.000 1.035 344 V CA 0.089 62.390 62.300 0.002 0.000 1.084 344 V CB 1.127 32.953 31.823 0.006 0.000 0.953 344 V HN 0.755 nan 8.190 nan 0.000 0.483 345 M N 4.152 123.754 119.600 0.002 0.000 2.333 345 M HA 0.303 4.783 4.480 -0.001 0.000 0.257 345 M C 0.402 176.705 176.300 0.005 0.000 1.078 345 M CA 0.344 55.648 55.300 0.006 0.000 1.005 345 M CB -0.403 32.202 32.600 0.007 0.000 1.444 345 M HN 0.901 nan 8.290 nan 0.000 0.496 346 E N -0.107 120.095 120.200 0.003 0.000 2.390 346 E HA 0.363 4.713 4.350 -0.001 0.000 0.280 346 E C -1.242 175.361 176.600 0.006 0.000 0.992 346 E CA -0.837 55.566 56.400 0.004 0.000 0.790 346 E CB 0.814 30.514 29.700 0.000 0.000 1.248 346 E HN -0.003 nan 8.360 nan 0.000 0.447 347 N N 0.796 119.500 118.700 0.008 0.000 2.513 347 N HA 0.202 4.941 4.740 -0.001 0.000 0.268 347 N C -0.739 174.778 175.510 0.011 0.000 1.180 347 N CA -0.045 53.012 53.050 0.011 0.000 0.948 347 N CB 1.575 40.069 38.487 0.012 0.000 1.083 347 N HN 0.266 nan 8.380 nan 0.000 0.455 348 V N 2.010 121.933 119.914 0.016 0.000 2.376 348 V HA 0.188 4.307 4.120 -0.001 0.000 0.287 348 V C -0.068 176.044 176.094 0.029 0.000 1.015 348 V CA -0.815 61.497 62.300 0.019 0.000 0.834 348 V CB 1.400 33.233 31.823 0.018 0.000 1.001 348 V HN 0.526 nan 8.190 nan 0.000 0.428 349 E N 2.142 122.359 120.200 0.029 0.000 2.374 349 E HA 0.347 4.696 4.350 -0.001 0.000 0.260 349 E C 0.069 176.700 176.600 0.050 0.000 1.101 349 E CA -0.513 55.908 56.400 0.035 0.000 0.907 349 E CB 0.622 30.339 29.700 0.028 0.000 1.014 349 E HN 0.772 nan 8.360 nan 0.000 0.427 350 E N 0.557 120.791 120.200 0.056 0.000 2.452 350 E HA 0.100 4.449 4.350 -0.001 0.000 0.261 350 E C 0.010 176.649 176.600 0.066 0.000 0.987 350 E CA 0.207 56.651 56.400 0.073 0.000 0.926 350 E CB 0.366 30.102 29.700 0.059 0.000 0.934 350 E HN 0.536 nan 8.360 nan 0.000 0.452 351 G N 2.713 111.566 108.800 0.089 0.000 2.391 351 G HA2 0.406 4.365 3.960 -0.001 0.000 0.234 351 G HA3 0.406 4.365 3.960 -0.001 0.000 0.234 351 G C 0.156 175.085 174.900 0.047 0.000 1.284 351 G CA 0.052 45.197 45.100 0.076 0.000 0.873 351 G HN 0.663 nan 8.290 nan 0.000 0.549 352 G N 0.000 108.821 108.800 0.035 0.000 5.446 352 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 352 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 352 G CA 0.000 45.114 45.100 0.023 0.000 0.502 352 G HN 0.000 nan 8.290 nan 0.000 0.925