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 2g3f_1_B DATA FIRST_RESID 2 DATA SEQUENCE PKQIDTILIN IGQLLTMESS GPRAGKSMQD LHVIEDAVVG IHEQKIVFAG DATA SEQUENCE QKGAEAGYEA DEIIDCSGRL VTPGLVDPHT HLVFGGSREK EMNLKLQGIS DATA SEQUENCE YLDILAQGGG ILSTVKDTRA ASEEELLQKA HFHLQRMLSY GTTTAEVKSG DATA SEQUENCE YGLEKETELK QLRVAKKLHE SQPVDLVSTF MGAHAIPPEY QNDPDDFLDQ DATA SEQUENCE MLSLLPEIKE QELASFADIF TETGVFTVSQ SRRYLQKAAE AGFGLKIHAD DATA SEQUENCE EIDPLGGAEL AGKLKAVSAD HLVGTSDEGI KKLAEAGTIA VLLPGTTFYL DATA SEQUENCE GKSTYARARA MIDEGVCVSL ATDFNPGSSP TENIQLIMSI AALHLKMTAE DATA SEQUENCE EIWHAVTVNA AYAIGKGEEA GQLKAGRSAD LVIWQAPNYM YIPYHYGVNH DATA SEQUENCE VHQVMKNGTI VVNR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.224 177.300 -0.127 0.000 1.155 2 P CA 0.000 63.029 63.100 -0.118 0.000 0.800 2 P CB 0.000 31.661 31.700 -0.065 0.000 0.726 3 K N 1.916 122.180 120.400 -0.226 0.000 2.401 3 K HA 0.344 4.664 4.320 0.001 0.000 0.278 3 K C -0.046 176.516 176.600 -0.064 0.000 1.018 3 K CA -0.634 55.543 56.287 -0.182 0.000 0.981 3 K CB 0.617 32.930 32.500 -0.311 0.000 0.933 3 K HN 0.264 nan 8.250 nan 0.000 0.477 4 Q N 3.227 122.987 119.800 -0.067 0.000 2.278 4 Q HA 0.405 4.745 4.340 0.001 0.000 0.257 4 Q C 0.082 175.980 176.000 -0.171 0.000 0.928 4 Q CA -0.299 55.477 55.803 -0.044 0.000 0.932 4 Q CB 1.028 29.755 28.738 -0.018 0.000 1.221 4 Q HN 0.656 nan 8.270 nan 0.000 0.434 5 I N -2.170 118.354 120.570 -0.076 0.000 3.042 5 I HA 0.462 4.633 4.170 0.001 0.000 0.310 5 I C 0.115 176.336 176.117 0.174 0.000 1.117 5 I CA -0.937 60.289 61.300 -0.124 0.000 1.003 5 I CB 1.857 39.829 38.000 -0.047 0.000 1.228 5 I HN 0.162 nan 8.210 nan 0.000 0.443 6 D N 1.907 122.555 120.400 0.414 0.000 2.088 6 D HA -0.039 4.601 4.640 0.001 0.000 0.191 6 D C 0.483 176.830 176.300 0.079 0.000 0.992 6 D CA 1.813 55.925 54.000 0.187 0.000 0.831 6 D CB 0.068 40.932 40.800 0.107 0.000 0.973 6 D HN 0.710 nan 8.370 nan 0.000 0.447 7 T N -0.242 114.337 114.554 0.040 0.000 2.906 7 T HA 0.594 4.945 4.350 0.001 0.000 0.295 7 T C -0.693 173.975 174.700 -0.054 0.000 1.075 7 T CA -0.545 61.550 62.100 -0.009 0.000 1.005 7 T CB 2.581 71.431 68.868 -0.030 0.000 1.136 7 T HN -0.118 nan 8.240 nan 0.000 0.498 8 I N 1.859 122.405 120.570 -0.040 0.000 2.571 8 I HA 0.497 4.668 4.170 0.001 0.000 0.289 8 I C -1.951 174.148 176.117 -0.029 0.000 1.115 8 I CA -0.773 60.496 61.300 -0.052 0.000 1.045 8 I CB 1.515 39.533 38.000 0.029 0.000 1.238 8 I HN 0.443 nan 8.210 nan 0.000 0.424 9 L N 8.307 129.501 121.223 -0.048 0.000 2.264 9 L HA 0.605 4.946 4.340 0.001 0.000 0.289 9 L C -0.114 176.764 176.870 0.014 0.000 1.044 9 L CA -0.086 54.743 54.840 -0.019 0.000 0.807 9 L CB 0.992 43.032 42.059 -0.033 0.000 1.192 9 L HN 0.488 nan 8.230 nan 0.000 0.425 10 I N -0.409 120.174 120.570 0.021 0.000 3.023 10 I HA 0.558 4.729 4.170 0.001 0.000 0.312 10 I C 0.082 176.211 176.117 0.019 0.000 1.056 10 I CA -0.957 60.362 61.300 0.031 0.000 1.033 10 I CB 1.547 39.567 38.000 0.034 0.000 1.233 10 I HN 0.690 nan 8.210 nan 0.000 0.462 11 N N 1.228 119.938 118.700 0.017 0.000 2.740 11 N HA -0.154 4.587 4.740 0.001 0.000 0.248 11 N C -0.734 174.776 175.510 0.001 0.000 1.062 11 N CA 0.172 53.226 53.050 0.006 0.000 0.704 11 N CB -1.235 37.253 38.487 0.000 0.000 0.968 11 N HN 0.486 nan 8.380 nan 0.000 0.547 12 I N 0.507 121.081 120.570 0.007 0.000 2.436 12 I HA 0.053 4.224 4.170 0.001 0.000 0.289 12 I C 1.993 178.106 176.117 -0.006 0.000 1.083 12 I CA 0.099 61.401 61.300 0.004 0.000 1.372 12 I CB 0.900 38.905 38.000 0.009 0.000 1.408 12 I HN 0.299 nan 8.210 nan 0.000 0.516 13 G N 5.280 114.073 108.800 -0.012 0.000 2.421 13 G HA2 -0.157 3.804 3.960 0.001 0.000 0.216 13 G HA3 -0.157 3.804 3.960 0.001 0.000 0.216 13 G C 0.605 175.489 174.900 -0.026 0.000 1.171 13 G CA 0.494 45.581 45.100 -0.022 0.000 0.775 13 G HN 0.613 nan 8.290 nan 0.000 0.543 14 Q N -0.847 118.939 119.800 -0.024 0.000 2.289 14 Q HA 0.605 4.946 4.340 0.001 0.000 0.270 14 Q C -1.912 174.057 176.000 -0.052 0.000 1.038 14 Q CA -0.595 55.183 55.803 -0.041 0.000 0.812 14 Q CB 2.194 30.913 28.738 -0.032 0.000 1.300 14 Q HN 0.169 nan 8.270 nan 0.000 0.427 15 L N 5.652 126.827 121.223 -0.079 0.000 2.356 15 L HA 0.563 4.903 4.340 0.001 0.000 0.277 15 L C -1.690 175.098 176.870 -0.137 0.000 0.996 15 L CA -0.781 54.014 54.840 -0.076 0.000 0.822 15 L CB 1.181 43.218 42.059 -0.036 0.000 1.256 15 L HN 0.674 nan 8.230 nan 0.000 0.413 16 L N 4.849 125.978 121.223 -0.156 0.000 2.295 16 L HA 0.304 4.645 4.340 0.001 0.000 0.281 16 L C 1.248 178.076 176.870 -0.072 0.000 1.018 16 L CA -0.315 54.403 54.840 -0.202 0.000 0.841 16 L CB 1.736 43.558 42.059 -0.396 0.000 1.218 16 L HN 0.692 nan 8.230 nan 0.000 0.424 17 T N -0.375 114.177 114.554 -0.005 0.000 3.035 17 T HA -0.022 4.328 4.350 0.001 0.000 0.259 17 T C 1.281 176.029 174.700 0.080 0.000 1.078 17 T CA 0.058 62.190 62.100 0.053 0.000 1.132 17 T CB 0.121 69.044 68.868 0.091 0.000 0.900 17 T HN 0.534 nan 8.240 nan 0.000 0.480 18 M N 0.131 119.785 119.600 0.090 0.000 2.872 18 M HA -0.158 4.322 4.480 0.001 0.000 0.183 18 M C 0.088 176.491 176.300 0.171 0.000 0.631 18 M CA 0.502 55.899 55.300 0.163 0.000 0.672 18 M CB -2.901 29.803 32.600 0.172 0.000 2.432 18 M HN 0.727 nan 8.290 nan 0.000 0.376 19 E N 1.707 121.985 120.200 0.130 0.000 2.585 19 E HA 0.235 4.585 4.350 0.001 0.000 0.252 19 E C -0.367 176.285 176.600 0.087 0.000 0.981 19 E CA 0.582 57.041 56.400 0.098 0.000 0.943 19 E CB 0.589 30.329 29.700 0.067 0.000 0.923 19 E HN 0.396 nan 8.360 nan 0.000 0.486 20 S N 2.213 117.966 115.700 0.089 0.000 2.607 20 S HA 0.197 4.668 4.470 0.001 0.000 0.273 20 S C -0.005 174.637 174.600 0.071 0.000 1.148 20 S CA -0.409 57.828 58.200 0.062 0.000 0.833 20 S CB 1.795 65.035 63.200 0.067 0.000 1.130 20 S HN 0.608 nan 8.310 nan 0.000 0.470 21 S N -0.468 115.252 115.700 0.032 0.000 2.540 21 S HA 0.588 5.058 4.470 0.001 0.000 0.218 21 S C 0.691 175.311 174.600 0.033 0.000 0.977 21 S CA 0.209 58.433 58.200 0.039 0.000 0.918 21 S CB 0.150 63.355 63.200 0.008 0.000 0.806 21 S HN 1.311 nan 8.310 nan 0.000 0.496 22 G N 1.445 110.226 108.800 -0.032 0.000 2.321 22 G HA2 0.444 4.405 3.960 0.001 0.000 0.296 22 G HA3 0.444 4.405 3.960 0.001 0.000 0.296 22 G C -3.489 171.086 174.900 -0.542 0.000 1.287 22 G CA -0.867 44.043 45.100 -0.316 0.000 0.846 22 G HN 0.053 nan 8.290 nan 0.000 0.508 23 P HA 0.244 nan 4.420 nan 0.000 0.269 23 P C -0.745 176.399 177.300 -0.261 0.000 1.215 23 P CA 0.050 62.823 63.100 -0.545 0.000 0.780 23 P CB 0.798 32.194 31.700 -0.507 0.000 0.898 24 R N 1.081 121.483 120.500 -0.163 0.000 2.229 24 R HA 0.625 4.965 4.340 0.001 0.000 0.332 24 R C -0.124 176.112 176.300 -0.106 0.000 0.989 24 R CA -0.513 55.490 56.100 -0.162 0.000 0.842 24 R CB 1.375 31.515 30.300 -0.267 0.000 1.119 24 R HN 0.536 nan 8.270 nan 0.000 0.456 25 A N 2.259 125.024 122.820 -0.092 0.000 2.337 25 A HA 0.781 5.101 4.320 0.001 0.000 0.331 25 A C 0.750 178.309 177.584 -0.042 0.000 1.137 25 A CA 0.047 52.050 52.037 -0.056 0.000 0.807 25 A CB 1.094 20.063 19.000 -0.051 0.000 1.250 25 A HN 0.793 nan 8.150 nan 0.000 0.468 26 G N 1.368 110.155 108.800 -0.022 0.000 2.672 26 G HA2 -0.378 3.582 3.960 0.001 0.000 0.324 26 G HA3 -0.378 3.582 3.960 0.001 0.000 0.324 26 G C 1.093 175.987 174.900 -0.009 0.000 1.286 26 G CA 1.093 46.187 45.100 -0.011 0.000 1.004 26 G HN 0.917 nan 8.290 nan 0.000 0.548 27 K N 1.096 121.491 120.400 -0.008 0.000 2.160 27 K HA -0.108 4.213 4.320 0.001 0.000 0.206 27 K C 3.044 179.637 176.600 -0.011 0.000 1.047 27 K CA 1.992 58.278 56.287 -0.002 0.000 0.930 27 K CB -0.342 32.157 32.500 -0.002 0.000 0.720 27 K HN 0.621 nan 8.250 nan 0.000 0.450 28 S N 0.864 116.539 115.700 -0.041 0.000 2.442 28 S HA -0.123 4.347 4.470 0.001 0.000 0.236 28 S C 1.896 176.418 174.600 -0.130 0.000 1.007 28 S CA 0.931 59.083 58.200 -0.080 0.000 0.965 28 S CB -0.259 62.876 63.200 -0.110 0.000 0.773 28 S HN 0.226 nan 8.310 nan 0.000 0.504 29 M N 0.416 119.971 119.600 -0.075 0.000 2.460 29 M HA -0.012 4.469 4.480 0.001 0.000 0.263 29 M C 2.407 178.821 176.300 0.191 0.000 1.071 29 M CA 1.283 56.578 55.300 -0.009 0.000 1.096 29 M CB -0.219 32.409 32.600 0.048 0.000 1.408 29 M HN 0.382 nan 8.290 nan 0.000 0.463 30 Q N 0.696 120.563 119.800 0.112 0.000 2.302 30 Q HA -0.068 4.273 4.340 0.001 0.000 0.202 30 Q C 0.315 176.405 176.000 0.150 0.000 0.936 30 Q CA 0.943 56.826 55.803 0.134 0.000 0.886 30 Q CB 0.036 28.821 28.738 0.079 0.000 0.986 30 Q HN 0.240 nan 8.270 nan 0.000 0.487 31 D N 0.639 121.112 120.400 0.123 0.000 2.662 31 D HA 0.025 4.665 4.640 0.001 0.000 0.228 31 D C -0.994 175.454 176.300 0.246 0.000 1.093 31 D CA -0.079 53.995 54.000 0.124 0.000 1.075 31 D CB -0.547 40.284 40.800 0.052 0.000 1.122 31 D HN 0.168 nan 8.370 nan 0.000 0.475 32 L N 3.189 124.541 121.223 0.215 0.000 2.319 32 L HA 0.273 4.614 4.340 0.001 0.000 0.280 32 L C -0.632 176.254 176.870 0.027 0.000 1.099 32 L CA -0.544 54.352 54.840 0.093 0.000 0.828 32 L CB 0.857 42.774 42.059 -0.238 0.000 1.150 32 L HN 0.238 nan 8.230 nan 0.000 0.442 33 H N 4.177 123.221 119.070 -0.043 0.000 2.723 33 H HA 0.505 5.062 4.556 0.001 0.000 0.294 33 H C -1.171 174.083 175.328 -0.122 0.000 1.079 33 H CA -0.416 55.600 56.048 -0.054 0.000 1.411 33 H CB 0.693 30.449 29.762 -0.009 0.000 1.439 33 H HN 0.434 nan 8.280 nan 0.000 0.474 34 V N 7.728 127.344 119.914 -0.496 0.000 2.435 34 V HA 0.299 4.419 4.120 0.001 0.000 0.290 34 V C 0.196 176.007 176.094 -0.471 0.000 1.030 34 V CA -0.720 61.323 62.300 -0.429 0.000 0.881 34 V CB 1.376 33.055 31.823 -0.240 0.000 0.983 34 V HN 0.708 nan 8.190 nan 0.000 0.445 35 I N 4.020 124.389 120.570 -0.336 0.000 2.433 35 I HA 0.490 4.660 4.170 0.001 0.000 0.292 35 I C -0.072 175.977 176.117 -0.112 0.000 1.001 35 I CA -0.454 60.718 61.300 -0.213 0.000 1.119 35 I CB 1.838 39.756 38.000 -0.137 0.000 1.289 35 I HN 0.624 nan 8.210 nan 0.000 0.438 36 E N 4.258 124.413 120.200 -0.075 0.000 2.207 36 E HA 0.226 4.577 4.350 0.001 0.000 0.270 36 E C -0.913 175.671 176.600 -0.027 0.000 0.927 36 E CA -0.741 55.632 56.400 -0.046 0.000 0.799 36 E CB 1.509 31.186 29.700 -0.040 0.000 1.172 36 E HN 0.531 nan 8.360 nan 0.000 0.404 37 D N 1.071 121.460 120.400 -0.019 0.000 2.956 37 D HA -0.181 4.460 4.640 0.001 0.000 0.240 37 D C -1.451 174.849 176.300 0.001 0.000 1.141 37 D CA 0.842 54.837 54.000 -0.008 0.000 0.820 37 D CB -0.861 39.934 40.800 -0.008 0.000 0.988 37 D HN 0.577 nan 8.370 nan 0.000 0.417 38 A N -0.026 122.797 122.820 0.006 0.000 2.309 38 A HA 0.903 5.224 4.320 0.001 0.000 0.317 38 A C 0.152 177.764 177.584 0.047 0.000 1.134 38 A CA 0.030 52.083 52.037 0.025 0.000 0.866 38 A CB 1.943 20.953 19.000 0.016 0.000 1.329 38 A HN 1.020 nan 8.150 nan 0.000 0.477 39 V N -3.052 116.915 119.914 0.088 0.000 3.114 39 V HA 0.866 4.987 4.120 0.001 0.000 0.308 39 V C -1.058 175.117 176.094 0.135 0.000 1.168 39 V CA -0.737 61.640 62.300 0.128 0.000 1.015 39 V CB 1.360 33.313 31.823 0.216 0.000 1.050 39 V HN 0.815 nan 8.190 nan 0.000 0.433 40 V N 1.639 121.557 119.914 0.008 0.000 2.569 40 V HA 0.818 4.938 4.120 0.001 0.000 0.301 40 V C 0.571 176.338 176.094 -0.546 0.000 1.044 40 V CA 0.256 62.433 62.300 -0.205 0.000 0.874 40 V CB 1.725 33.471 31.823 -0.129 0.000 1.002 40 V HN 1.374 nan 8.190 nan 0.000 0.424 41 G N 4.902 112.882 108.800 -1.367 0.000 2.343 41 G HA2 0.783 4.743 3.960 0.001 0.000 0.319 41 G HA3 0.783 4.743 3.960 0.001 0.000 0.319 41 G C -0.953 173.510 174.900 -0.729 0.000 1.126 41 G CA -0.411 43.809 45.100 -1.466 0.000 0.889 41 G HN 0.588 nan 8.290 nan 0.000 0.457 42 I N 0.942 121.292 120.570 -0.366 0.000 2.608 42 I HA 0.420 4.590 4.170 0.001 0.000 0.295 42 I C -0.914 175.203 176.117 -0.001 0.000 1.049 42 I CA -0.948 60.251 61.300 -0.167 0.000 1.063 42 I CB 2.744 40.671 38.000 -0.123 0.000 1.248 42 I HN 0.561 nan 8.210 nan 0.000 0.424 43 H N 4.249 123.266 119.070 -0.088 0.000 2.947 43 H HA 0.273 4.830 4.556 0.001 0.000 0.354 43 H C -0.956 174.361 175.328 -0.019 0.000 1.085 43 H CA -0.649 55.380 56.048 -0.032 0.000 1.253 43 H CB 1.396 31.165 29.762 0.011 0.000 1.757 43 H HN 0.626 nan 8.280 nan 0.000 0.523 44 E N 3.654 123.561 120.200 -0.488 0.000 2.297 44 E HA -0.359 3.992 4.350 0.001 0.000 0.228 44 E C 0.233 176.746 176.600 -0.147 0.000 1.213 44 E CA 0.931 57.132 56.400 -0.333 0.000 0.712 44 E CB -0.751 28.749 29.700 -0.333 0.000 1.202 44 E HN 0.848 nan 8.360 nan 0.000 0.376 45 Q N -2.303 117.431 119.800 -0.110 0.000 2.324 45 Q HA -0.257 4.083 4.340 0.001 0.000 0.200 45 Q C -0.605 175.364 176.000 -0.051 0.000 0.645 45 Q CA 2.241 58.002 55.803 -0.070 0.000 1.377 45 Q CB -0.191 28.510 28.738 -0.061 0.000 1.486 45 Q HN 0.480 nan 8.270 nan 0.000 0.796 46 K N -0.048 120.325 120.400 -0.045 0.000 2.350 46 K HA 0.523 4.844 4.320 0.001 0.000 0.241 46 K C -0.397 176.180 176.600 -0.039 0.000 0.994 46 K CA -1.054 55.216 56.287 -0.028 0.000 0.839 46 K CB 1.315 33.811 32.500 -0.007 0.000 1.244 46 K HN -0.051 nan 8.250 nan 0.000 0.443 47 I N 2.527 123.071 120.570 -0.045 0.000 2.471 47 I HA -0.031 4.139 4.170 0.001 0.000 0.286 47 I C 1.167 177.244 176.117 -0.067 0.000 1.079 47 I CA 0.366 61.614 61.300 -0.087 0.000 1.398 47 I CB 1.249 39.212 38.000 -0.063 0.000 1.403 47 I HN 0.537 nan 8.210 nan 0.000 0.530 48 V N 8.526 128.352 119.914 -0.147 0.000 3.085 48 V HA 0.216 4.336 4.120 0.001 0.000 0.245 48 V C -0.130 175.975 176.094 0.019 0.000 1.114 48 V CA 0.694 62.966 62.300 -0.046 0.000 1.108 48 V CB 0.338 32.140 31.823 -0.035 0.000 0.798 48 V HN 0.666 nan 8.190 nan 0.000 0.471 49 F N -1.197 118.672 119.950 -0.135 0.000 2.703 49 F HA 0.864 5.392 4.527 0.001 0.000 0.308 49 F C -0.969 174.778 175.800 -0.088 0.000 1.126 49 F CA -0.830 57.097 58.000 -0.122 0.000 0.959 49 F CB 0.806 39.679 39.000 -0.212 0.000 1.297 49 F HN 0.038 nan 8.300 nan 0.000 0.441 50 A N 1.940 124.899 122.820 0.232 0.000 2.547 50 A HA 0.863 5.183 4.320 0.001 0.000 0.279 50 A C -0.547 177.134 177.584 0.163 0.000 1.088 50 A CA 0.130 52.254 52.037 0.144 0.000 0.796 50 A CB 0.617 19.642 19.000 0.042 0.000 1.308 50 A HN 2.235 nan 8.150 nan 0.000 0.415 51 G N 0.208 109.113 108.800 0.175 0.000 2.490 51 G HA2 0.496 4.457 3.960 0.001 0.000 0.308 51 G HA3 0.496 4.457 3.960 0.001 0.000 0.308 51 G C -0.914 174.035 174.900 0.082 0.000 1.286 51 G CA -0.451 44.717 45.100 0.114 0.000 0.825 51 G HN 0.838 nan 8.290 nan 0.000 0.479 52 Q N 0.334 120.166 119.800 0.052 0.000 2.421 52 Q HA 0.271 4.612 4.340 0.001 0.000 0.255 52 Q C 0.517 176.529 176.000 0.020 0.000 1.013 52 Q CA -0.225 55.596 55.803 0.028 0.000 0.895 52 Q CB 0.581 29.331 28.738 0.019 0.000 1.271 52 Q HN 0.482 nan 8.270 nan 0.000 0.460 53 K N 1.148 121.559 120.400 0.018 0.000 2.530 53 K HA -0.052 4.269 4.320 0.001 0.000 0.280 53 K C 0.442 177.035 176.600 -0.011 0.000 1.004 53 K CA 1.304 57.599 56.287 0.013 0.000 1.071 53 K CB -0.223 32.284 32.500 0.012 0.000 0.876 53 K HN 0.855 nan 8.250 nan 0.000 0.487 54 G N 2.143 110.924 108.800 -0.032 0.000 2.284 54 G HA2 -0.251 3.709 3.960 0.001 0.000 0.201 54 G HA3 -0.251 3.709 3.960 0.001 0.000 0.201 54 G C 0.740 175.570 174.900 -0.116 0.000 0.998 54 G CA 0.244 45.312 45.100 -0.053 0.000 0.651 54 G HN 0.758 nan 8.290 nan 0.000 0.489 55 A N 0.970 123.684 122.820 -0.176 0.000 2.168 55 A HA 0.305 4.625 4.320 0.001 0.000 0.215 55 A C 1.932 179.023 177.584 -0.820 0.000 1.152 55 A CA 1.996 53.815 52.037 -0.362 0.000 0.716 55 A CB -0.279 18.558 19.000 -0.272 0.000 0.794 55 A HN 0.764 nan 8.150 nan 0.000 0.465 56 E N 0.479 120.338 120.200 -0.568 0.000 2.489 56 E HA 0.220 4.570 4.350 0.001 0.000 0.193 56 E C 0.646 177.215 176.600 -0.052 0.000 1.057 56 E CA 0.533 56.650 56.400 -0.472 0.000 0.866 56 E CB -0.681 29.034 29.700 0.025 0.000 0.916 56 E HN 0.394 nan 8.360 nan 0.000 0.500 57 A N 0.981 123.757 122.820 -0.074 0.000 2.548 57 A HA 0.398 4.719 4.320 0.001 0.000 0.247 57 A C 1.357 178.947 177.584 0.009 0.000 1.067 57 A CA 0.808 52.836 52.037 -0.014 0.000 0.757 57 A CB -0.494 18.482 19.000 -0.041 0.000 0.996 57 A HN 0.590 nan 8.150 nan 0.000 0.504 58 G N 0.939 109.720 108.800 -0.032 0.000 2.194 58 G HA2 -0.216 3.744 3.960 0.001 0.000 0.236 58 G HA3 -0.216 3.744 3.960 0.001 0.000 0.236 58 G C -0.085 174.640 174.900 -0.292 0.000 0.987 58 G CA 0.499 45.493 45.100 -0.177 0.000 0.635 58 G HN 0.854 nan 8.290 nan 0.000 0.520 59 Y N 0.345 120.631 120.300 -0.023 0.000 2.587 59 Y HA 0.738 5.289 4.550 0.001 0.000 0.337 59 Y C 0.426 176.350 175.900 0.040 0.000 1.065 59 Y CA -0.982 57.139 58.100 0.035 0.000 1.126 59 Y CB 1.668 40.222 38.460 0.156 0.000 1.279 59 Y HN 0.130 nan 8.280 nan 0.000 0.489 60 E N 0.738 121.068 120.200 0.217 0.000 2.321 60 E HA 0.706 5.056 4.350 0.001 0.000 0.281 60 E C -1.523 175.148 176.600 0.118 0.000 0.910 60 E CA -0.910 55.568 56.400 0.128 0.000 0.770 60 E CB 2.385 32.124 29.700 0.065 0.000 1.225 60 E HN 0.664 nan 8.360 nan 0.000 0.417 61 A N 2.033 124.912 122.820 0.099 0.000 2.386 61 A HA 0.511 4.832 4.320 0.001 0.000 0.308 61 A C -0.124 177.494 177.584 0.057 0.000 1.128 61 A CA -0.544 51.540 52.037 0.078 0.000 0.789 61 A CB 1.107 20.149 19.000 0.070 0.000 1.325 61 A HN 0.591 nan 8.150 nan 0.000 0.437 62 D N 0.005 120.436 120.400 0.053 0.000 2.202 62 D HA 0.000 4.641 4.640 0.001 0.000 0.214 62 D C 0.431 176.749 176.300 0.030 0.000 0.967 62 D CA 0.970 54.994 54.000 0.040 0.000 0.871 62 D CB 0.079 40.904 40.800 0.041 0.000 1.020 62 D HN 0.730 nan 8.370 nan 0.000 0.474 63 E N 0.963 121.179 120.200 0.027 0.000 2.152 63 E HA 0.275 4.626 4.350 0.001 0.000 0.285 63 E C -0.804 175.804 176.600 0.013 0.000 1.043 63 E CA -0.238 56.171 56.400 0.015 0.000 0.839 63 E CB 0.628 30.332 29.700 0.006 0.000 1.069 63 E HN 0.076 nan 8.360 nan 0.000 0.399 64 I N 6.544 127.122 120.570 0.013 0.000 2.355 64 I HA 0.336 4.506 4.170 0.001 0.000 0.288 64 I C -1.091 175.032 176.117 0.009 0.000 0.999 64 I CA -0.778 60.531 61.300 0.015 0.000 1.163 64 I CB 0.685 38.699 38.000 0.022 0.000 1.316 64 I HN 0.579 nan 8.210 nan 0.000 0.454 65 I N 7.066 127.639 120.570 0.005 0.000 2.312 65 I HA 0.234 4.404 4.170 0.001 0.000 0.290 65 I C -0.459 175.665 176.117 0.012 0.000 1.008 65 I CA -0.490 60.814 61.300 0.007 0.000 1.226 65 I CB 1.155 39.154 38.000 -0.002 0.000 1.371 65 I HN 0.523 nan 8.210 nan 0.000 0.468 66 D N 5.413 125.823 120.400 0.017 0.000 2.295 66 D HA 0.150 4.790 4.640 0.001 0.000 0.248 66 D C 0.416 176.725 176.300 0.014 0.000 1.154 66 D CA -0.332 53.676 54.000 0.014 0.000 0.857 66 D CB 1.402 42.208 40.800 0.010 0.000 1.117 66 D HN 0.526 nan 8.370 nan 0.000 0.468 67 C N 1.745 121.050 119.300 0.007 0.000 2.626 67 C HA 0.083 4.544 4.460 0.001 0.000 0.266 67 C C 1.169 176.138 174.990 -0.034 0.000 1.317 67 C CA -0.100 58.917 59.018 -0.001 0.000 1.716 67 C CB -1.575 26.170 27.740 0.008 0.000 1.819 67 C HN 0.794 nan 8.230 nan 0.000 0.578 68 S N -0.008 115.674 115.700 -0.031 0.000 3.549 68 S HA -0.167 4.304 4.470 0.001 0.000 0.366 68 S C 1.227 175.796 174.600 -0.051 0.000 1.012 68 S CA 1.127 59.300 58.200 -0.045 0.000 1.141 68 S CB -1.771 61.387 63.200 -0.070 0.000 0.910 68 S HN 1.453 nan 8.310 nan 0.000 0.471 69 G N -0.214 108.564 108.800 -0.036 0.000 2.155 69 G HA2 -0.341 3.620 3.960 0.001 0.000 0.257 69 G HA3 -0.341 3.620 3.960 0.001 0.000 0.257 69 G C 0.093 174.970 174.900 -0.038 0.000 0.983 69 G CA 0.575 45.654 45.100 -0.036 0.000 0.676 69 G HN 0.740 nan 8.290 nan 0.000 0.528 70 R N -0.898 119.581 120.500 -0.035 0.000 2.649 70 R HA 0.550 4.891 4.340 0.001 0.000 0.270 70 R C 0.536 176.858 176.300 0.037 0.000 1.105 70 R CA -0.644 55.450 56.100 -0.011 0.000 1.193 70 R CB 0.572 30.859 30.300 -0.022 0.000 1.120 70 R HN 0.303 nan 8.270 nan 0.000 0.561 71 L N 1.041 122.322 121.223 0.096 0.000 2.349 71 L HA 0.273 4.613 4.340 0.001 0.000 0.275 71 L C -0.944 176.077 176.870 0.252 0.000 1.115 71 L CA 0.071 54.985 54.840 0.124 0.000 0.820 71 L CB 1.367 43.484 42.059 0.097 0.000 1.135 71 L HN 0.203 nan 8.230 nan 0.000 0.445 72 V N 4.269 124.277 119.914 0.157 0.000 2.588 72 V HA 0.766 4.887 4.120 0.001 0.000 0.304 72 V C -0.031 176.137 176.094 0.123 0.000 1.042 72 V CA 0.078 62.474 62.300 0.160 0.000 0.877 72 V CB 1.907 33.766 31.823 0.061 0.000 0.996 72 V HN 1.040 nan 8.190 nan 0.000 0.425 73 T N 3.194 117.879 114.554 0.218 0.000 2.812 73 T HA 0.711 5.061 4.350 0.001 0.000 0.294 73 T C -3.175 171.644 174.700 0.198 0.000 1.159 73 T CA -2.266 59.937 62.100 0.172 0.000 1.008 73 T CB 2.420 71.435 68.868 0.245 0.000 1.289 73 T HN 0.338 nan 8.240 nan 0.000 0.514 74 P HA 0.373 nan 4.420 nan 0.000 0.273 74 P C 0.377 177.798 177.300 0.202 0.000 1.250 74 P CA -0.067 63.126 63.100 0.155 0.000 0.793 74 P CB 0.027 31.816 31.700 0.149 0.000 1.011 75 G N 0.958 109.836 108.800 0.129 0.000 2.491 75 G HA2 0.261 4.221 3.960 0.001 0.000 0.242 75 G HA3 0.261 4.221 3.960 0.001 0.000 0.242 75 G C -0.240 174.765 174.900 0.175 0.000 1.266 75 G CA -0.474 44.698 45.100 0.121 0.000 0.844 75 G HN 0.369 nan 8.290 nan 0.000 0.571 76 L N 0.768 122.114 121.223 0.206 0.000 2.452 76 L HA 0.288 4.628 4.340 0.001 0.000 0.267 76 L C 0.043 176.989 176.870 0.126 0.000 1.188 76 L CA -0.622 54.338 54.840 0.200 0.000 0.821 76 L CB 1.109 43.304 42.059 0.226 0.000 1.102 76 L HN 0.106 nan 8.230 nan 0.000 0.470 77 V N 1.009 120.987 119.914 0.106 0.000 2.409 77 V HA 0.196 4.317 4.120 0.001 0.000 0.291 77 V C -0.477 175.652 176.094 0.058 0.000 1.020 77 V CA -0.526 61.820 62.300 0.076 0.000 0.848 77 V CB 1.679 33.544 31.823 0.070 0.000 0.990 77 V HN 0.610 nan 8.190 nan 0.000 0.430 78 D N 7.450 127.881 120.400 0.051 0.000 2.467 78 D HA 0.319 4.959 4.640 0.001 0.000 0.220 78 D C -1.520 174.803 176.300 0.038 0.000 1.103 78 D CA -2.029 51.998 54.000 0.044 0.000 0.886 78 D CB 1.943 42.774 40.800 0.051 0.000 1.025 78 D HN 0.287 nan 8.370 nan 0.000 0.514 79 P HA -0.031 nan 4.420 nan 0.000 0.247 79 P C -0.550 176.755 177.300 0.008 0.000 1.225 79 P CA 0.290 63.388 63.100 -0.003 0.000 0.768 79 P CB -0.151 31.543 31.700 -0.009 0.000 1.020 80 H N -0.586 118.430 119.070 -0.091 0.000 3.278 80 H HA 0.360 4.917 4.556 0.001 0.000 0.326 80 H C -1.030 174.255 175.328 -0.072 0.000 1.113 80 H CA -0.277 55.691 56.048 -0.133 0.000 1.553 80 H CB 0.860 30.511 29.762 -0.186 0.000 1.997 80 H HN -0.091 nan 8.280 nan 0.000 0.456 81 T N 1.287 115.857 114.554 0.028 0.000 2.843 81 T HA 0.276 4.626 4.350 0.001 0.000 0.302 81 T C -0.731 173.913 174.700 -0.092 0.000 1.232 81 T CA -0.937 61.249 62.100 0.144 0.000 1.009 81 T CB 1.827 70.847 68.868 0.252 0.000 1.254 81 T HN 0.701 nan 8.240 nan 0.000 0.504 82 H N 1.935 121.072 119.070 0.110 0.000 2.534 82 H HA 0.313 4.869 4.556 0.001 0.000 0.250 82 H C 1.331 176.802 175.328 0.238 0.000 1.256 82 H CA -0.374 55.715 56.048 0.069 0.000 1.000 82 H CB 0.573 30.347 29.762 0.020 0.000 1.801 82 H HN 0.473 nan 8.280 nan 0.000 0.569 83 L N 0.694 122.138 121.223 0.369 0.000 2.011 83 L HA -0.184 4.157 4.340 0.001 0.000 0.225 83 L C 0.329 177.480 176.870 0.469 0.000 1.084 83 L CA 1.580 56.715 54.840 0.491 0.000 0.791 83 L CB 0.045 42.311 42.059 0.345 0.000 0.898 83 L HN 0.077 nan 8.230 nan 0.000 0.440 84 V N 1.153 121.277 119.914 0.350 0.000 2.427 84 V HA 0.168 4.289 4.120 0.001 0.000 0.268 84 V C -0.302 176.056 176.094 0.441 0.000 1.046 84 V CA -0.064 62.394 62.300 0.262 0.000 0.970 84 V CB 0.170 32.108 31.823 0.192 0.000 1.001 84 V HN 0.338 nan 8.190 nan 0.000 0.476 85 F N 2.404 122.478 119.950 0.205 0.000 2.703 85 F HA 0.827 5.354 4.527 0.001 0.000 0.308 85 F C -0.006 175.827 175.800 0.054 0.000 1.126 85 F CA -0.913 57.162 58.000 0.126 0.000 0.959 85 F CB 1.047 40.032 39.000 -0.025 0.000 1.297 85 F HN 0.578 nan 8.300 nan 0.000 0.441 86 G N 0.539 109.444 108.800 0.176 0.000 2.434 86 G HA2 0.635 4.595 3.960 0.001 0.000 0.330 86 G HA3 0.635 4.595 3.960 0.001 0.000 0.330 86 G C 0.152 175.152 174.900 0.167 0.000 1.155 86 G CA -0.368 44.788 45.100 0.092 0.000 0.917 86 G HN 1.924 nan 8.290 nan 0.000 0.493 87 G N -0.190 108.680 108.800 0.117 0.000 2.682 87 G HA2 0.273 4.234 3.960 0.001 0.000 0.256 87 G HA3 0.273 4.234 3.960 0.001 0.000 0.256 87 G C 0.251 175.278 174.900 0.213 0.000 1.333 87 G CA 0.699 45.870 45.100 0.119 0.000 0.904 87 G HN 2.259 nan 8.290 nan 0.000 0.569 88 S N -1.641 114.130 115.700 0.118 0.000 2.596 88 S HA 0.792 5.263 4.470 0.001 0.000 0.270 88 S C -0.057 174.547 174.600 0.006 0.000 1.155 88 S CA -0.735 57.521 58.200 0.094 0.000 0.827 88 S CB 2.262 65.550 63.200 0.148 0.000 1.130 88 S HN 0.909 nan 8.310 nan 0.000 0.467 89 R N 1.126 121.609 120.500 -0.029 0.000 2.696 89 R HA 0.179 4.519 4.340 0.001 0.000 0.355 89 R C 1.229 177.539 176.300 0.015 0.000 1.138 89 R CA -0.044 56.039 56.100 -0.029 0.000 1.059 89 R CB -0.038 30.222 30.300 -0.067 0.000 1.380 89 R HN 0.918 nan 8.270 nan 0.000 0.578 90 E N 1.092 121.314 120.200 0.037 0.000 2.160 90 E HA -0.202 4.148 4.350 0.001 0.000 0.195 90 E C 0.685 177.301 176.600 0.027 0.000 0.991 90 E CA 1.164 57.594 56.400 0.051 0.000 0.810 90 E CB -0.044 29.692 29.700 0.059 0.000 0.742 90 E HN 0.186 nan 8.360 nan 0.000 0.466 91 K N 0.504 120.911 120.400 0.012 0.000 2.504 91 K HA -0.024 4.297 4.320 0.001 0.000 0.195 91 K C 1.594 178.186 176.600 -0.012 0.000 1.036 91 K CA 0.663 56.950 56.287 -0.001 0.000 0.984 91 K CB 0.101 32.597 32.500 -0.006 0.000 0.788 91 K HN 0.277 nan 8.250 nan 0.000 0.488 92 E N 0.247 120.440 120.200 -0.011 0.000 2.478 92 E HA 0.039 4.389 4.350 0.001 0.000 0.194 92 E C 1.601 178.186 176.600 -0.025 0.000 1.045 92 E CA 0.028 56.414 56.400 -0.023 0.000 0.868 92 E CB 0.154 29.840 29.700 -0.023 0.000 0.885 92 E HN 0.300 nan 8.360 nan 0.000 0.505 93 M N 0.691 120.280 119.600 -0.018 0.000 2.106 93 M HA -0.229 4.252 4.480 0.001 0.000 0.259 93 M C 1.650 177.917 176.300 -0.055 0.000 1.068 93 M CA 1.682 56.956 55.300 -0.044 0.000 1.100 93 M CB -0.535 32.048 32.600 -0.028 0.000 1.351 93 M HN 0.146 nan 8.290 nan 0.000 0.404 94 N N 0.193 118.870 118.700 -0.039 0.000 2.223 94 N HA -0.100 4.640 4.740 0.001 0.000 0.185 94 N C 1.677 177.160 175.510 -0.045 0.000 1.016 94 N CA 0.889 53.916 53.050 -0.039 0.000 0.863 94 N CB -0.061 38.409 38.487 -0.029 0.000 0.983 94 N HN 0.289 nan 8.380 nan 0.000 0.429 95 L N 0.844 122.039 121.223 -0.046 0.000 2.056 95 L HA -0.155 4.185 4.340 0.001 0.000 0.207 95 L C 2.438 179.276 176.870 -0.054 0.000 1.078 95 L CA 1.145 55.956 54.840 -0.048 0.000 0.749 95 L CB -0.394 41.634 42.059 -0.051 0.000 0.901 95 L HN 0.179 nan 8.230 nan 0.000 0.433 96 K N 0.888 121.250 120.400 -0.063 0.000 2.057 96 K HA -0.202 4.119 4.320 0.001 0.000 0.207 96 K C 2.200 178.750 176.600 -0.084 0.000 1.049 96 K CA 1.167 57.407 56.287 -0.077 0.000 0.931 96 K CB -0.111 32.323 32.500 -0.110 0.000 0.714 96 K HN 0.187 nan 8.250 nan 0.000 0.440 97 L N 0.910 122.084 121.223 -0.082 0.000 2.131 97 L HA -0.189 4.152 4.340 0.001 0.000 0.210 97 L C 1.863 178.699 176.870 -0.058 0.000 1.092 97 L CA 1.395 56.191 54.840 -0.074 0.000 0.759 97 L CB -0.057 41.963 42.059 -0.065 0.000 0.903 97 L HN 0.321 nan 8.230 nan 0.000 0.435 98 Q N -0.523 119.247 119.800 -0.051 0.000 2.472 98 Q HA 0.062 4.403 4.340 0.001 0.000 0.208 98 Q C 1.243 177.217 176.000 -0.043 0.000 0.958 98 Q CA 0.582 56.359 55.803 -0.043 0.000 0.932 98 Q CB 0.362 29.076 28.738 -0.039 0.000 1.007 98 Q HN 0.728 nan 8.270 nan 0.000 0.508 99 G N 1.023 109.793 108.800 -0.049 0.000 2.159 99 G HA2 -0.239 3.722 3.960 0.001 0.000 0.227 99 G HA3 -0.239 3.722 3.960 0.001 0.000 0.227 99 G C 0.104 174.979 174.900 -0.042 0.000 0.986 99 G CA -0.398 44.675 45.100 -0.046 0.000 0.651 99 G HN 0.287 nan 8.290 nan 0.000 0.523 100 I N 2.795 123.338 120.570 -0.043 0.000 2.471 100 I HA 0.302 4.473 4.170 0.001 0.000 0.286 100 I C 1.487 177.583 176.117 -0.034 0.000 1.079 100 I CA 0.198 61.473 61.300 -0.042 0.000 1.398 100 I CB 1.039 39.010 38.000 -0.049 0.000 1.403 100 I HN 0.400 nan 8.210 nan 0.000 0.530 101 S N 5.580 121.264 115.700 -0.026 0.000 2.584 101 S HA -0.029 4.441 4.470 0.001 0.000 0.270 101 S C 0.981 175.595 174.600 0.023 0.000 1.346 101 S CA -0.299 57.904 58.200 0.005 0.000 1.018 101 S CB 0.638 63.841 63.200 0.005 0.000 0.899 101 S HN 0.636 nan 8.310 nan 0.000 0.542 102 Y N 2.026 122.296 120.300 -0.050 0.000 2.128 102 Y HA -0.126 4.424 4.550 0.001 0.000 0.284 102 Y C 1.807 177.687 175.900 -0.033 0.000 1.154 102 Y CA 1.898 59.975 58.100 -0.038 0.000 1.149 102 Y CB -0.382 38.065 38.460 -0.023 0.000 0.976 102 Y HN 0.674 nan 8.280 nan 0.000 0.505 103 L N -0.363 120.863 121.223 0.005 0.000 2.156 103 L HA -0.173 4.167 4.340 0.001 0.000 0.208 103 L C 1.851 178.635 176.870 -0.143 0.000 1.095 103 L CA 1.271 56.054 54.840 -0.096 0.000 0.770 103 L CB -0.517 41.538 42.059 -0.007 0.000 0.914 103 L HN 0.181 nan 8.230 nan 0.000 0.439 104 D N 0.132 120.470 120.400 -0.102 0.000 2.224 104 D HA -0.088 4.553 4.640 0.001 0.000 0.205 104 D C 2.248 178.471 176.300 -0.127 0.000 0.965 104 D CA 0.991 54.931 54.000 -0.100 0.000 0.852 104 D CB 0.152 40.910 40.800 -0.070 0.000 0.947 104 D HN 0.323 nan 8.370 nan 0.000 0.494 105 I N 0.215 120.688 120.570 -0.163 0.000 2.286 105 I HA -0.198 3.972 4.170 0.001 0.000 0.245 105 I C 2.263 178.254 176.117 -0.211 0.000 1.104 105 I CA 0.413 61.609 61.300 -0.174 0.000 1.397 105 I CB -0.070 37.816 38.000 -0.190 0.000 1.072 105 I HN 0.008 nan 8.210 nan 0.000 0.417 106 L N 1.489 122.535 121.223 -0.295 0.000 2.083 106 L HA -0.104 4.236 4.340 0.001 0.000 0.209 106 L C 2.491 179.241 176.870 -0.199 0.000 1.083 106 L CA 2.000 56.671 54.840 -0.282 0.000 0.752 106 L CB -0.716 41.133 42.059 -0.351 0.000 0.899 106 L HN 0.165 nan 8.230 nan 0.000 0.433 107 A N -1.467 121.248 122.820 -0.174 0.000 2.070 107 A HA -0.141 4.180 4.320 0.001 0.000 0.220 107 A C 1.907 179.420 177.584 -0.118 0.000 1.159 107 A CA 1.184 53.137 52.037 -0.140 0.000 0.656 107 A CB -0.378 18.549 19.000 -0.120 0.000 0.800 107 A HN 0.595 nan 8.150 nan 0.000 0.453 108 Q N -1.327 118.403 119.800 -0.117 0.000 2.222 108 Q HA 0.232 4.572 4.340 0.001 0.000 0.206 108 Q C 0.997 176.940 176.000 -0.095 0.000 0.877 108 Q CA 0.608 56.354 55.803 -0.096 0.000 0.958 108 Q CB 0.261 28.947 28.738 -0.087 0.000 1.075 108 Q HN 0.911 nan 8.270 nan 0.000 0.483 109 G N -0.145 108.589 108.800 -0.110 0.000 2.157 109 G HA2 -0.233 3.727 3.960 0.001 0.000 0.248 109 G HA3 -0.233 3.727 3.960 0.001 0.000 0.248 109 G C 0.488 175.323 174.900 -0.109 0.000 0.979 109 G CA 0.027 45.066 45.100 -0.102 0.000 0.650 109 G HN 0.575 nan 8.290 nan 0.000 0.529 110 G N -1.192 107.530 108.800 -0.130 0.000 2.606 110 G HA2 0.752 4.712 3.960 0.001 0.000 0.262 110 G HA3 0.752 4.712 3.960 0.001 0.000 0.262 110 G C 1.413 176.206 174.900 -0.179 0.000 1.394 110 G CA 1.110 46.129 45.100 -0.136 0.000 1.044 110 G HN 1.813 nan 8.290 nan 0.000 0.553 111 G N -0.445 108.243 108.800 -0.186 0.000 2.611 111 G HA2 -0.333 3.627 3.960 0.001 0.000 0.301 111 G HA3 -0.333 3.627 3.960 0.001 0.000 0.301 111 G C 1.365 176.150 174.900 -0.192 0.000 1.233 111 G CA 0.725 45.692 45.100 -0.221 0.000 0.993 111 G HN 0.939 nan 8.290 nan 0.000 0.553 112 I N 0.842 121.293 120.570 -0.197 0.000 2.185 112 I HA -0.233 3.938 4.170 0.001 0.000 0.246 112 I C 2.860 178.910 176.117 -0.112 0.000 1.088 112 I CA 1.839 63.051 61.300 -0.147 0.000 1.347 112 I CB -0.406 37.426 38.000 -0.279 0.000 1.041 112 I HN 0.388 nan 8.210 nan 0.000 0.415 113 L N -0.426 120.718 121.223 -0.132 0.000 2.201 113 L HA -0.175 4.166 4.340 0.001 0.000 0.212 113 L C 2.562 179.383 176.870 -0.082 0.000 1.105 113 L CA 1.014 55.797 54.840 -0.095 0.000 0.775 113 L CB -0.461 41.533 42.059 -0.109 0.000 0.913 113 L HN 0.201 nan 8.230 nan 0.000 0.440 114 S N -1.050 114.585 115.700 -0.107 0.000 2.395 114 S HA -0.120 4.350 4.470 0.001 0.000 0.225 114 S C 1.994 176.531 174.600 -0.106 0.000 1.027 114 S CA 1.463 59.607 58.200 -0.094 0.000 0.965 114 S CB -0.071 63.070 63.200 -0.099 0.000 0.812 114 S HN 0.407 nan 8.310 nan 0.000 0.482 115 T N 2.051 116.497 114.554 -0.179 0.000 2.821 115 T HA -0.026 4.324 4.350 0.001 0.000 0.267 115 T C 1.906 176.513 174.700 -0.156 0.000 1.046 115 T CA 0.864 62.794 62.100 -0.284 0.000 1.139 115 T CB -0.323 68.124 68.868 -0.701 0.000 0.871 115 T HN 0.149 nan 8.240 nan 0.000 0.454 116 V N 1.697 121.584 119.914 -0.046 0.000 2.287 116 V HA -0.214 3.907 4.120 0.001 0.000 0.248 116 V C 2.459 178.583 176.094 0.051 0.000 1.053 116 V CA 1.630 63.973 62.300 0.072 0.000 1.027 116 V CB -0.450 31.423 31.823 0.084 0.000 0.646 116 V HN 0.511 nan 8.190 nan 0.000 0.447 117 K N -0.249 120.159 120.400 0.014 0.000 2.063 117 K HA -0.199 4.122 4.320 0.001 0.000 0.208 117 K C 1.872 178.486 176.600 0.023 0.000 1.048 117 K CA 1.738 58.036 56.287 0.018 0.000 0.928 117 K CB -0.372 32.128 32.500 -0.001 0.000 0.713 117 K HN 0.467 nan 8.250 nan 0.000 0.442 118 D N 0.183 120.588 120.400 0.009 0.000 2.178 118 D HA -0.082 4.559 4.640 0.001 0.000 0.202 118 D C 1.823 178.151 176.300 0.046 0.000 0.974 118 D CA 1.198 55.211 54.000 0.022 0.000 0.841 118 D CB -0.241 40.568 40.800 0.014 0.000 0.953 118 D HN 0.157 nan 8.370 nan 0.000 0.478 119 T N 0.686 115.277 114.554 0.063 0.000 2.857 119 T HA -0.027 4.324 4.350 0.001 0.000 0.266 119 T C 2.010 176.773 174.700 0.105 0.000 1.048 119 T CA 0.594 62.758 62.100 0.108 0.000 1.139 119 T CB 0.156 69.133 68.868 0.183 0.000 0.874 119 T HN 0.115 nan 8.240 nan 0.000 0.455 120 R N 1.062 121.621 120.500 0.097 0.000 2.075 120 R HA 0.096 4.436 4.340 0.001 0.000 0.232 120 R C 2.760 179.101 176.300 0.069 0.000 1.126 120 R CA 1.262 57.416 56.100 0.091 0.000 0.963 120 R CB -0.375 29.977 30.300 0.087 0.000 0.858 120 R HN 0.331 nan 8.270 nan 0.000 0.435 121 A N 1.273 124.127 122.820 0.055 0.000 2.014 121 A HA 0.145 4.465 4.320 0.001 0.000 0.218 121 A C 1.134 178.743 177.584 0.042 0.000 1.163 121 A CA 0.774 52.837 52.037 0.043 0.000 0.652 121 A CB -0.182 18.838 19.000 0.033 0.000 0.808 121 A HN 0.344 nan 8.150 nan 0.000 0.449 122 A N 0.796 123.644 122.820 0.047 0.000 2.425 122 A HA 0.497 4.818 4.320 0.001 0.000 0.249 122 A C 0.889 178.500 177.584 0.045 0.000 1.084 122 A CA 0.282 52.344 52.037 0.042 0.000 0.781 122 A CB -0.098 18.927 19.000 0.042 0.000 1.019 122 A HN 0.992 nan 8.150 nan 0.000 0.490 123 S N 0.975 116.697 115.700 0.037 0.000 2.600 123 S HA 0.121 4.592 4.470 0.001 0.000 0.265 123 S C 0.915 175.542 174.600 0.045 0.000 1.325 123 S CA 0.483 58.707 58.200 0.039 0.000 1.002 123 S CB 0.877 64.096 63.200 0.032 0.000 0.921 123 S HN 0.831 nan 8.310 nan 0.000 0.554 124 E N 0.374 120.602 120.200 0.047 0.000 2.110 124 E HA -0.187 4.163 4.350 0.001 0.000 0.193 124 E C 1.627 178.258 176.600 0.052 0.000 0.988 124 E CA 1.194 57.626 56.400 0.053 0.000 0.804 124 E CB -0.072 29.659 29.700 0.051 0.000 0.745 124 E HN 0.714 nan 8.360 nan 0.000 0.458 125 E N 0.635 120.862 120.200 0.046 0.000 2.106 125 E HA -0.172 4.179 4.350 0.001 0.000 0.192 125 E C 1.909 178.537 176.600 0.047 0.000 0.984 125 E CA 0.947 57.376 56.400 0.048 0.000 0.806 125 E CB -0.015 29.708 29.700 0.038 0.000 0.750 125 E HN 0.433 nan 8.360 nan 0.000 0.458 126 E N 0.566 120.787 120.200 0.035 0.000 2.031 126 E HA -0.145 4.206 4.350 0.001 0.000 0.193 126 E C 2.379 178.994 176.600 0.025 0.000 0.994 126 E CA 0.780 57.194 56.400 0.025 0.000 0.800 126 E CB -0.182 29.529 29.700 0.018 0.000 0.752 126 E HN 0.187 nan 8.360 nan 0.000 0.447 127 L N 0.655 121.896 121.223 0.030 0.000 2.079 127 L HA -0.218 4.123 4.340 0.001 0.000 0.210 127 L C 2.609 179.500 176.870 0.036 0.000 1.081 127 L CA 0.514 55.368 54.840 0.023 0.000 0.752 127 L CB -0.398 41.688 42.059 0.046 0.000 0.896 127 L HN 0.194 nan 8.230 nan 0.000 0.433 128 L N -0.491 120.768 121.223 0.059 0.000 1.994 128 L HA -0.224 4.117 4.340 0.001 0.000 0.208 128 L C 2.655 179.621 176.870 0.160 0.000 1.071 128 L CA 1.800 56.690 54.840 0.083 0.000 0.745 128 L CB -0.674 41.453 42.059 0.113 0.000 0.892 128 L HN 0.224 nan 8.230 nan 0.000 0.431 129 Q N -0.163 119.727 119.800 0.150 0.000 2.170 129 Q HA -0.239 4.101 4.340 0.001 0.000 0.203 129 Q C 2.289 178.369 176.000 0.133 0.000 0.976 129 Q CA 1.595 57.493 55.803 0.159 0.000 0.858 129 Q CB -0.324 28.455 28.738 0.069 0.000 0.907 129 Q HN 0.587 nan 8.270 nan 0.000 0.433 130 K N 0.314 120.753 120.400 0.065 0.000 2.001 130 K HA -0.063 4.257 4.320 0.001 0.000 0.208 130 K C 2.015 178.681 176.600 0.110 0.000 1.048 130 K CA 1.162 57.464 56.287 0.025 0.000 0.932 130 K CB -0.067 32.407 32.500 -0.044 0.000 0.715 130 K HN 0.128 nan 8.250 nan 0.000 0.437 131 A N 0.754 123.636 122.820 0.103 0.000 1.933 131 A HA -0.188 4.133 4.320 0.001 0.000 0.218 131 A C 1.938 179.608 177.584 0.143 0.000 1.175 131 A CA 1.388 53.518 52.037 0.155 0.000 0.628 131 A CB -0.845 18.198 19.000 0.071 0.000 0.814 131 A HN 0.394 nan 8.150 nan 0.000 0.444 132 H N -1.746 117.391 119.070 0.111 0.000 2.353 132 H HA -0.174 4.382 4.556 0.001 0.000 0.298 132 H C 1.899 177.278 175.328 0.085 0.000 1.103 132 H CA 1.939 58.039 56.048 0.087 0.000 1.293 132 H CB -0.469 29.335 29.762 0.069 0.000 1.372 132 H HN 0.648 nan 8.280 nan 0.000 0.501 133 F N 0.992 120.975 119.950 0.054 0.000 2.113 133 F HA -0.218 4.309 4.527 0.000 0.000 0.297 133 F C 2.648 178.399 175.800 -0.082 0.000 1.103 133 F CA 1.439 59.396 58.000 -0.072 0.000 1.248 133 F CB -0.176 38.698 39.000 -0.209 0.000 0.999 133 F HN 0.164 nan 8.300 nan 0.000 0.475 134 H N -0.228 118.878 119.070 0.059 0.000 2.389 134 H HA -0.098 4.458 4.556 0.001 0.000 0.299 134 H C 2.201 177.429 175.328 -0.166 0.000 1.081 134 H CA 1.579 57.563 56.048 -0.106 0.000 1.345 134 H CB -0.653 29.211 29.762 0.170 0.000 1.393 134 H HN 0.332 nan 8.280 nan 0.000 0.520 135 L N 1.416 122.684 121.223 0.076 0.000 2.093 135 L HA -0.148 4.193 4.340 0.001 0.000 0.208 135 L C 2.572 179.436 176.870 -0.010 0.000 1.085 135 L CA 1.615 56.477 54.840 0.036 0.000 0.755 135 L CB -0.677 41.416 42.059 0.056 0.000 0.904 135 L HN 0.204 nan 8.230 nan 0.000 0.435 136 Q N -0.725 119.057 119.800 -0.030 0.000 2.167 136 Q HA -0.249 4.091 4.340 0.001 0.000 0.202 136 Q C 2.402 178.333 176.000 -0.114 0.000 0.970 136 Q CA 1.513 57.281 55.803 -0.058 0.000 0.855 136 Q CB -0.152 28.553 28.738 -0.054 0.000 0.911 136 Q HN 0.529 nan 8.270 nan 0.000 0.438 137 R N -0.262 120.124 120.500 -0.190 0.000 2.090 137 R HA -0.059 4.282 4.340 0.001 0.000 0.228 137 R C 2.212 178.542 176.300 0.050 0.000 1.110 137 R CA 1.318 57.339 56.100 -0.132 0.000 0.973 137 R CB -0.090 30.070 30.300 -0.234 0.000 0.869 137 R HN 0.336 nan 8.270 nan 0.000 0.440 138 M N 0.580 120.169 119.600 -0.019 0.000 2.080 138 M HA -0.211 4.269 4.480 0.001 0.000 0.260 138 M C 2.353 178.695 176.300 0.070 0.000 1.068 138 M CA 1.517 56.830 55.300 0.022 0.000 1.109 138 M CB -0.309 32.266 32.600 -0.042 0.000 1.342 138 M HN 0.262 nan 8.290 nan 0.000 0.405 139 L N 0.186 121.418 121.223 0.016 0.000 2.042 139 L HA -0.229 4.112 4.340 0.001 0.000 0.210 139 L C 2.662 179.512 176.870 -0.033 0.000 1.076 139 L CA 2.194 57.031 54.840 -0.005 0.000 0.749 139 L CB -0.492 41.553 42.059 -0.024 0.000 0.893 139 L HN 0.459 nan 8.230 nan 0.000 0.432 140 S N -1.637 114.023 115.700 -0.065 0.000 2.442 140 S HA -0.232 4.238 4.470 0.001 0.000 0.236 140 S C 1.529 175.988 174.600 -0.236 0.000 1.007 140 S CA 0.875 58.972 58.200 -0.172 0.000 0.965 140 S CB -0.660 62.398 63.200 -0.237 0.000 0.773 140 S HN 0.560 nan 8.310 nan 0.000 0.504 141 Y N 1.553 121.823 120.300 -0.051 0.000 2.461 141 Y HA 0.418 4.968 4.550 0.001 0.000 0.277 141 Y C 1.913 177.840 175.900 0.044 0.000 1.182 141 Y CA 0.070 58.175 58.100 0.009 0.000 1.276 141 Y CB 0.333 38.803 38.460 0.017 0.000 1.087 141 Y HN 0.469 nan 8.280 nan 0.000 0.519 142 G N -0.638 108.199 108.800 0.062 0.000 2.201 142 G HA2 -0.239 3.721 3.960 0.001 0.000 0.212 142 G HA3 -0.239 3.721 3.960 0.001 0.000 0.212 142 G C 0.211 175.163 174.900 0.087 0.000 0.994 142 G CA 0.000 45.114 45.100 0.022 0.000 0.644 142 G HN 0.194 nan 8.290 nan 0.000 0.508 143 T N 2.188 116.799 114.554 0.095 0.000 2.752 143 T HA 0.458 4.808 4.350 0.001 0.000 0.295 143 T C 1.494 176.223 174.700 0.050 0.000 0.923 143 T CA 0.856 63.005 62.100 0.081 0.000 1.112 143 T CB 1.162 70.072 68.868 0.071 0.000 0.884 143 T HN 0.644 nan 8.240 nan 0.000 0.525 144 T N -0.415 114.169 114.554 0.051 0.000 3.023 144 T HA 0.224 4.575 4.350 0.001 0.000 0.253 144 T C 0.574 175.300 174.700 0.044 0.000 1.038 144 T CA -0.225 61.895 62.100 0.033 0.000 0.962 144 T CB 0.389 69.271 68.868 0.023 0.000 1.018 144 T HN 0.472 nan 8.240 nan 0.000 0.521 145 T N 1.658 116.246 114.554 0.057 0.000 3.071 145 T HA 0.749 5.100 4.350 0.001 0.000 0.311 145 T C -1.247 173.489 174.700 0.061 0.000 1.042 145 T CA -0.564 61.574 62.100 0.063 0.000 1.028 145 T CB 1.736 70.639 68.868 0.057 0.000 1.068 145 T HN 0.508 nan 8.240 nan 0.000 0.451 146 A N 2.177 125.037 122.820 0.066 0.000 2.539 146 A HA 0.816 5.136 4.320 0.001 0.000 0.296 146 A C -1.001 176.611 177.584 0.046 0.000 1.073 146 A CA -0.766 51.305 52.037 0.057 0.000 0.700 146 A CB 1.666 20.707 19.000 0.068 0.000 1.296 146 A HN 0.650 nan 8.150 nan 0.000 0.405 147 E N 0.905 121.115 120.200 0.016 0.000 2.216 147 E HA 0.538 4.889 4.350 0.001 0.000 0.279 147 E C -1.137 175.449 176.600 -0.022 0.000 0.997 147 E CA -0.346 56.040 56.400 -0.024 0.000 0.817 147 E CB 1.559 31.196 29.700 -0.104 0.000 1.096 147 E HN 0.962 nan 8.360 nan 0.000 0.393 148 V N 1.154 121.058 119.914 -0.017 0.000 2.531 148 V HA 0.602 4.723 4.120 0.001 0.000 0.301 148 V C -0.715 175.341 176.094 -0.063 0.000 1.034 148 V CA -0.997 61.298 62.300 -0.009 0.000 0.865 148 V CB 1.425 33.288 31.823 0.066 0.000 0.995 148 V HN 0.518 nan 8.190 nan 0.000 0.424 149 K N 3.100 123.396 120.400 -0.172 0.000 2.156 149 K HA 0.699 5.019 4.320 0.001 0.000 0.254 149 K C 0.502 177.019 176.600 -0.138 0.000 0.950 149 K CA -0.296 55.855 56.287 -0.226 0.000 0.849 149 K CB 2.088 34.281 32.500 -0.512 0.000 1.100 149 K HN 0.982 nan 8.250 nan 0.000 0.434 150 S N 0.019 115.671 115.700 -0.079 0.000 2.481 150 S HA 0.600 5.071 4.470 0.001 0.000 0.267 150 S C 0.983 175.482 174.600 -0.169 0.000 1.174 150 S CA 0.126 58.318 58.200 -0.015 0.000 1.027 150 S CB 0.630 63.902 63.200 0.121 0.000 1.117 150 S HN 0.940 nan 8.310 nan 0.000 0.495 151 G N -1.370 107.374 108.800 -0.094 0.000 2.164 151 G HA2 -0.154 3.807 3.960 0.001 0.000 0.154 151 G HA3 -0.154 3.807 3.960 0.001 0.000 0.154 151 G C -0.055 174.866 174.900 0.035 0.000 1.014 151 G CA 0.013 45.051 45.100 -0.104 0.000 0.683 151 G HN 0.678 nan 8.290 nan 0.000 0.500 152 Y N 0.205 120.638 120.300 0.222 0.000 2.696 152 Y HA 0.424 4.975 4.550 0.000 0.000 0.260 152 Y C 2.005 177.993 175.900 0.146 0.000 1.165 152 Y CA 0.122 58.327 58.100 0.174 0.000 1.189 152 Y CB 1.180 39.745 38.460 0.174 0.000 1.180 152 Y HN 0.269 nan 8.280 nan 0.000 0.538 153 G N -0.510 108.458 108.800 0.280 0.000 2.853 153 G HA2 0.071 4.031 3.960 0.001 0.000 0.202 153 G HA3 0.071 4.031 3.960 0.001 0.000 0.202 153 G C 0.757 175.800 174.900 0.238 0.000 1.118 153 G CA -0.054 45.186 45.100 0.233 0.000 0.831 153 G HN 0.316 nan 8.290 nan 0.000 0.613 154 L N 0.581 121.974 121.223 0.283 0.000 3.839 154 L HA -0.191 4.149 4.340 0.001 0.000 0.416 154 L C -0.060 177.070 176.870 0.435 0.000 1.195 154 L CA 1.029 56.121 54.840 0.421 0.000 0.946 154 L CB -2.240 39.977 42.059 0.263 0.000 1.891 154 L HN 0.732 nan 8.230 nan 0.000 0.963 155 E N -2.522 117.851 120.200 0.288 0.000 2.401 155 E HA 0.366 4.716 4.350 0.001 0.000 0.280 155 E C 0.136 176.837 176.600 0.167 0.000 1.039 155 E CA -0.702 55.831 56.400 0.221 0.000 0.814 155 E CB 1.423 31.244 29.700 0.202 0.000 1.275 155 E HN 0.030 nan 8.360 nan 0.000 0.448 156 K N 1.100 121.572 120.400 0.119 0.000 1.991 156 K HA -0.284 4.037 4.320 0.001 0.000 0.212 156 K C 1.807 178.461 176.600 0.089 0.000 1.049 156 K CA 2.309 58.647 56.287 0.085 0.000 0.932 156 K CB -0.064 32.466 32.500 0.050 0.000 0.717 156 K HN 0.655 nan 8.250 nan 0.000 0.441 157 E N -0.483 119.771 120.200 0.089 0.000 2.033 157 E HA -0.197 4.153 4.350 0.001 0.000 0.199 157 E C 1.680 178.339 176.600 0.098 0.000 1.011 157 E CA 2.220 58.669 56.400 0.082 0.000 0.815 157 E CB -0.116 29.630 29.700 0.077 0.000 0.755 157 E HN 0.351 nan 8.360 nan 0.000 0.451 158 T N 1.057 115.683 114.554 0.121 0.000 2.857 158 T HA -0.085 4.265 4.350 0.001 0.000 0.266 158 T C 1.569 176.364 174.700 0.159 0.000 1.048 158 T CA 1.002 63.183 62.100 0.136 0.000 1.139 158 T CB -0.118 68.840 68.868 0.149 0.000 0.874 158 T HN 0.174 nan 8.240 nan 0.000 0.455 159 E N 1.295 121.605 120.200 0.183 0.000 2.051 159 E HA -0.021 4.329 4.350 0.001 0.000 0.192 159 E C 2.325 179.034 176.600 0.182 0.000 0.991 159 E CA 0.805 57.343 56.400 0.230 0.000 0.799 159 E CB -0.441 29.464 29.700 0.342 0.000 0.748 159 E HN 0.456 nan 8.360 nan 0.000 0.449 160 L N 0.814 122.109 121.223 0.120 0.000 2.083 160 L HA -0.178 4.162 4.340 0.001 0.000 0.209 160 L C 2.707 179.625 176.870 0.081 0.000 1.083 160 L CA 1.205 56.087 54.840 0.071 0.000 0.752 160 L CB -0.427 41.654 42.059 0.036 0.000 0.899 160 L HN 0.112 nan 8.230 nan 0.000 0.433 161 K N 0.265 120.720 120.400 0.091 0.000 2.009 161 K HA -0.243 4.077 4.320 0.001 0.000 0.210 161 K C 2.120 178.779 176.600 0.098 0.000 1.049 161 K CA 1.654 57.993 56.287 0.087 0.000 0.929 161 K CB -0.057 32.498 32.500 0.091 0.000 0.714 161 K HN 0.340 nan 8.250 nan 0.000 0.440 162 Q N 0.407 120.282 119.800 0.125 0.000 2.096 162 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 162 Q C 2.291 178.362 176.000 0.117 0.000 0.982 162 Q CA 1.726 57.610 55.803 0.135 0.000 0.850 162 Q CB -0.169 28.671 28.738 0.169 0.000 0.901 162 Q HN 0.380 nan 8.270 nan 0.000 0.422 163 L N 0.111 121.405 121.223 0.118 0.000 2.083 163 L HA -0.174 4.166 4.340 0.001 0.000 0.209 163 L C 2.512 179.426 176.870 0.074 0.000 1.083 163 L CA 1.107 56.008 54.840 0.101 0.000 0.752 163 L CB -0.379 41.740 42.059 0.099 0.000 0.899 163 L HN 0.176 nan 8.230 nan 0.000 0.433 164 R N -0.525 120.015 120.500 0.067 0.000 2.115 164 R HA -0.091 4.249 4.340 0.001 0.000 0.230 164 R C 2.252 178.587 176.300 0.059 0.000 1.111 164 R CA 0.987 57.121 56.100 0.056 0.000 0.976 164 R CB -0.353 29.978 30.300 0.050 0.000 0.870 164 R HN 0.204 nan 8.270 nan 0.000 0.445 165 V N 1.072 121.025 119.914 0.064 0.000 2.343 165 V HA -0.233 3.888 4.120 0.001 0.000 0.247 165 V C 2.482 178.604 176.094 0.045 0.000 1.051 165 V CA 1.949 64.282 62.300 0.055 0.000 1.036 165 V CB -0.684 31.176 31.823 0.062 0.000 0.654 165 V HN 0.373 nan 8.190 nan 0.000 0.451 166 A N -0.142 122.716 122.820 0.062 0.000 1.902 166 A HA -0.286 4.034 4.320 0.001 0.000 0.217 166 A C 2.339 179.967 177.584 0.073 0.000 1.181 166 A CA 2.297 54.373 52.037 0.064 0.000 0.623 166 A CB -0.484 18.560 19.000 0.073 0.000 0.818 166 A HN 0.540 nan 8.150 nan 0.000 0.443 167 K N -0.494 119.946 120.400 0.067 0.000 2.057 167 K HA -0.173 4.148 4.320 0.001 0.000 0.206 167 K C 2.075 178.739 176.600 0.106 0.000 1.050 167 K CA 1.742 58.076 56.287 0.078 0.000 0.935 167 K CB -0.138 32.394 32.500 0.052 0.000 0.715 167 K HN 0.286 nan 8.250 nan 0.000 0.439 168 K N 0.690 121.136 120.400 0.075 0.000 2.057 168 K HA -0.066 4.255 4.320 0.001 0.000 0.207 168 K C 1.956 178.595 176.600 0.066 0.000 1.049 168 K CA 1.280 57.611 56.287 0.074 0.000 0.931 168 K CB -0.124 32.417 32.500 0.068 0.000 0.714 168 K HN 0.108 nan 8.250 nan 0.000 0.440 169 L N -0.164 121.062 121.223 0.006 0.000 2.012 169 L HA -0.257 4.084 4.340 0.001 0.000 0.210 169 L C 2.618 179.506 176.870 0.031 0.000 1.073 169 L CA 1.671 56.458 54.840 -0.090 0.000 0.748 169 L CB -0.683 41.289 42.059 -0.144 0.000 0.891 169 L HN 0.464 nan 8.230 nan 0.000 0.431 170 H N 0.708 119.777 119.070 -0.002 0.000 2.422 170 H HA -0.176 4.380 4.556 0.001 0.000 0.298 170 H C 1.557 176.901 175.328 0.027 0.000 1.098 170 H CA 1.799 57.857 56.048 0.017 0.000 1.315 170 H CB 0.337 30.111 29.762 0.021 0.000 1.382 170 H HN 0.498 nan 8.280 nan 0.000 0.523 171 E N -0.198 120.019 120.200 0.028 0.000 2.474 171 E HA -0.011 4.340 4.350 0.001 0.000 0.194 171 E C 1.470 178.070 176.600 0.000 0.000 1.041 171 E CA 0.544 56.936 56.400 -0.012 0.000 0.874 171 E CB 0.439 30.179 29.700 0.066 0.000 0.914 171 E HN 0.424 nan 8.360 nan 0.000 0.498 172 S N -0.228 115.500 115.700 0.046 0.000 2.603 172 S HA 0.098 4.568 4.470 0.001 0.000 0.232 172 S C 0.229 174.895 174.600 0.110 0.000 1.016 172 S CA -0.563 57.694 58.200 0.094 0.000 0.976 172 S CB 0.192 63.505 63.200 0.187 0.000 0.921 172 S HN 0.094 nan 8.310 nan 0.000 0.516 173 Q N -0.867 118.972 119.800 0.065 0.000 2.590 173 Q HA 0.645 4.985 4.340 0.001 0.000 0.295 173 Q C -2.870 173.120 176.000 -0.016 0.000 0.973 173 Q CA -1.570 54.267 55.803 0.056 0.000 0.768 173 Q CB -0.086 28.744 28.738 0.154 0.000 1.479 173 Q HN -0.110 nan 8.270 nan 0.000 0.419 174 P HA -0.111 nan 4.420 nan 0.000 0.215 174 P C -0.192 177.086 177.300 -0.037 0.000 1.157 174 P CA 1.203 64.281 63.100 -0.036 0.000 0.874 174 P CB 0.062 31.744 31.700 -0.029 0.000 0.790 175 V N 2.170 122.077 119.914 -0.011 0.000 2.493 175 V HA -0.049 4.072 4.120 0.001 0.000 0.292 175 V C 0.391 176.500 176.094 0.025 0.000 1.016 175 V CA 0.332 62.639 62.300 0.013 0.000 1.097 175 V CB -0.442 31.403 31.823 0.035 0.000 0.947 175 V HN 0.073 nan 8.190 nan 0.000 0.479 176 D N 5.196 125.630 120.400 0.058 0.000 2.308 176 D HA 0.463 5.103 4.640 0.001 0.000 0.251 176 D C -0.118 176.334 176.300 0.254 0.000 1.127 176 D CA 0.081 54.187 54.000 0.176 0.000 0.876 176 D CB 1.336 42.230 40.800 0.156 0.000 1.176 176 D HN 0.347 nan 8.370 nan 0.000 0.446 177 L N 1.273 122.770 121.223 0.456 0.000 2.334 177 L HA 0.543 4.884 4.340 0.001 0.000 0.273 177 L C -0.271 176.614 176.870 0.024 0.000 1.013 177 L CA -1.189 53.758 54.840 0.179 0.000 0.816 177 L CB 2.004 44.163 42.059 0.167 0.000 1.278 177 L HN -0.044 nan 8.230 nan 0.000 0.431 178 V N 1.167 121.103 119.914 0.036 0.000 2.409 178 V HA 0.285 4.406 4.120 0.001 0.000 0.291 178 V C 0.016 176.148 176.094 0.063 0.000 1.020 178 V CA -0.356 61.973 62.300 0.049 0.000 0.848 178 V CB 1.716 33.590 31.823 0.084 0.000 0.990 178 V HN 0.797 nan 8.190 nan 0.000 0.430 179 S N 3.831 119.578 115.700 0.078 0.000 2.480 179 S HA 0.603 5.073 4.470 0.001 0.000 0.286 179 S C -0.108 174.605 174.600 0.188 0.000 1.180 179 S CA -0.252 58.007 58.200 0.099 0.000 1.075 179 S CB 0.793 64.036 63.200 0.072 0.000 0.996 179 S HN 0.799 nan 8.310 nan 0.000 0.487 180 T N 5.251 119.892 114.554 0.145 0.000 2.824 180 T HA 0.380 4.730 4.350 0.001 0.000 0.282 180 T C -1.027 173.775 174.700 0.170 0.000 0.993 180 T CA -0.328 61.885 62.100 0.188 0.000 0.967 180 T CB 0.623 69.518 68.868 0.045 0.000 0.960 180 T HN 0.550 nan 8.240 nan 0.000 0.441 181 F N 4.508 124.495 119.950 0.062 0.000 2.421 181 F HA 0.530 5.059 4.527 0.003 0.000 0.358 181 F C 0.339 176.128 175.800 -0.019 0.000 1.115 181 F CA -1.167 56.833 58.000 -0.001 0.000 1.160 181 F CB 0.646 39.612 39.000 -0.056 0.000 1.123 181 F HN 0.507 nan 8.300 nan 0.000 0.508 182 M N 6.324 125.577 119.600 -0.579 0.000 3.080 182 M HA 0.287 4.768 4.480 0.001 0.000 0.288 182 M C 1.025 176.933 176.300 -0.653 0.000 1.224 182 M CA -0.072 54.877 55.300 -0.585 0.000 0.787 182 M CB -0.006 32.328 32.600 -0.443 0.000 1.368 182 M HN 0.790 nan 8.290 nan 0.000 0.511 183 G N 0.487 108.529 108.800 -1.263 0.000 2.448 183 G HA2 -0.103 3.857 3.960 0.001 0.000 0.219 183 G HA3 -0.103 3.857 3.960 0.001 0.000 0.219 183 G C 0.760 175.561 174.900 -0.166 0.000 1.127 183 G CA 0.670 45.410 45.100 -0.600 0.000 0.766 183 G HN 0.660 nan 8.290 nan 0.000 0.552 184 A N -0.200 122.415 122.820 -0.342 0.000 3.135 184 A HA 0.432 4.752 4.320 0.001 0.000 0.253 184 A C 0.989 178.687 177.584 0.190 0.000 1.638 184 A CA -0.070 51.816 52.037 -0.253 0.000 1.295 184 A CB -0.734 17.587 19.000 -1.133 0.000 1.106 184 A HN 0.622 nan 8.150 nan 0.000 0.648 185 H N -0.159 119.020 119.070 0.182 0.000 2.451 185 H HA 0.491 5.048 4.556 0.001 0.000 0.294 185 H C 0.811 176.296 175.328 0.261 0.000 1.028 185 H CA 0.790 56.920 56.048 0.137 0.000 1.349 185 H CB 0.375 30.110 29.762 -0.047 0.000 1.444 185 H HN 0.648 nan 8.280 nan 0.000 0.538 186 A N 0.259 123.232 122.820 0.255 0.000 2.557 186 A HA 0.496 4.816 4.320 0.001 0.000 0.292 186 A C -1.673 175.730 177.584 -0.303 0.000 1.139 186 A CA -0.716 51.271 52.037 -0.083 0.000 0.665 186 A CB 0.898 19.806 19.000 -0.153 0.000 1.285 186 A HN 0.169 nan 8.150 nan 0.000 0.433 187 I N 1.419 121.719 120.570 -0.451 0.000 2.355 187 I HA 0.349 4.519 4.170 0.001 0.000 0.288 187 I C -2.451 173.440 176.117 -0.376 0.000 0.999 187 I CA -1.984 58.990 61.300 -0.542 0.000 1.163 187 I CB 1.868 39.616 38.000 -0.421 0.000 1.316 187 I HN 0.290 nan 8.210 nan 0.000 0.454 188 P HA 0.089 nan 4.420 nan 0.000 0.265 188 P C -2.030 175.242 177.300 -0.046 0.000 1.193 188 P CA -0.909 62.117 63.100 -0.124 0.000 0.765 188 P CB 0.204 31.929 31.700 0.041 0.000 0.823 189 P HA -0.262 nan 4.420 nan 0.000 0.218 189 P C 1.310 178.581 177.300 -0.049 0.000 1.154 189 P CA 1.552 64.618 63.100 -0.057 0.000 0.872 189 P CB -0.255 31.411 31.700 -0.056 0.000 0.790 190 E N -1.308 118.858 120.200 -0.057 0.000 2.472 190 E HA -0.183 4.168 4.350 0.001 0.000 0.200 190 E C 0.734 177.180 176.600 -0.257 0.000 1.046 190 E CA 1.235 57.540 56.400 -0.158 0.000 0.871 190 E CB -0.895 28.676 29.700 -0.214 0.000 0.806 190 E HN 0.416 nan 8.360 nan 0.000 0.533 191 Y N 0.311 120.594 120.300 -0.027 0.000 2.481 191 Y HA 0.189 4.739 4.550 0.000 0.000 0.247 191 Y C 2.053 177.940 175.900 -0.021 0.000 1.151 191 Y CA -0.391 57.713 58.100 0.007 0.000 1.238 191 Y CB 0.655 39.144 38.460 0.049 0.000 1.179 191 Y HN -0.102 nan 8.280 nan 0.000 0.524 192 Q N 0.582 120.410 119.800 0.047 0.000 2.248 192 Q HA -0.169 4.171 4.340 0.001 0.000 0.208 192 Q C 0.866 176.876 176.000 0.017 0.000 0.984 192 Q CA 1.217 57.017 55.803 -0.005 0.000 0.875 192 Q CB -0.113 28.597 28.738 -0.048 0.000 0.910 192 Q HN 0.520 nan 8.270 nan 0.000 0.433 193 N N 0.460 119.177 118.700 0.028 0.000 2.336 193 N HA -0.038 4.703 4.740 0.001 0.000 0.189 193 N C -0.454 175.098 175.510 0.069 0.000 1.113 193 N CA 0.347 53.415 53.050 0.030 0.000 0.858 193 N CB 0.575 39.066 38.487 0.006 0.000 0.970 193 N HN 0.073 nan 8.380 nan 0.000 0.471 194 D N -0.518 119.962 120.400 0.133 0.000 3.118 194 D HA 0.117 4.758 4.640 0.001 0.000 0.259 194 D C -2.003 174.463 176.300 0.277 0.000 1.292 194 D CA -1.137 52.972 54.000 0.182 0.000 0.784 194 D CB 0.942 41.852 40.800 0.183 0.000 1.413 194 D HN -0.056 nan 8.370 nan 0.000 0.583 195 P HA -0.090 nan 4.420 nan 0.000 0.220 195 P C 0.856 178.347 177.300 0.318 0.000 1.148 195 P CA 0.692 63.982 63.100 0.316 0.000 0.803 195 P CB 0.639 32.495 31.700 0.261 0.000 0.782 196 D N -0.032 120.497 120.400 0.215 0.000 2.178 196 D HA -0.151 4.490 4.640 0.001 0.000 0.202 196 D C 1.698 178.069 176.300 0.118 0.000 0.974 196 D CA 1.043 55.129 54.000 0.145 0.000 0.841 196 D CB -0.415 40.451 40.800 0.110 0.000 0.953 196 D HN 0.153 nan 8.370 nan 0.000 0.478 197 D N -0.020 120.482 120.400 0.170 0.000 2.117 197 D HA -0.155 4.485 4.640 0.001 0.000 0.198 197 D C 1.898 178.214 176.300 0.028 0.000 0.982 197 D CA 0.400 54.497 54.000 0.162 0.000 0.828 197 D CB -0.276 40.712 40.800 0.314 0.000 0.967 197 D HN 0.103 nan 8.370 nan 0.000 0.464 198 F N 1.077 120.895 119.950 -0.219 0.000 2.095 198 F HA -0.110 4.418 4.527 0.002 0.000 0.298 198 F C 2.090 177.752 175.800 -0.230 0.000 1.104 198 F CA 1.260 58.923 58.000 -0.562 0.000 1.232 198 F CB -0.470 38.206 39.000 -0.539 0.000 0.987 198 F HN -0.038 nan 8.300 nan 0.000 0.475 199 L N 0.048 121.132 121.223 -0.232 0.000 2.042 199 L HA -0.249 4.092 4.340 0.001 0.000 0.210 199 L C 2.229 179.004 176.870 -0.158 0.000 1.076 199 L CA 1.568 56.227 54.840 -0.302 0.000 0.749 199 L CB -0.898 41.061 42.059 -0.167 0.000 0.893 199 L HN 0.121 nan 8.230 nan 0.000 0.432 200 D N -0.476 119.865 120.400 -0.100 0.000 2.144 200 D HA -0.241 4.399 4.640 0.001 0.000 0.199 200 D C 2.131 178.367 176.300 -0.107 0.000 0.984 200 D CA 1.176 55.137 54.000 -0.064 0.000 0.834 200 D CB -0.058 40.729 40.800 -0.021 0.000 0.955 200 D HN 0.352 nan 8.370 nan 0.000 0.465 201 Q N -0.476 119.217 119.800 -0.179 0.000 2.124 201 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 201 Q C 1.933 177.822 176.000 -0.185 0.000 0.977 201 Q CA 1.154 56.855 55.803 -0.171 0.000 0.850 201 Q CB 0.079 28.697 28.738 -0.200 0.000 0.901 201 Q HN 0.078 nan 8.270 nan 0.000 0.429 202 M N -0.265 119.167 119.600 -0.280 0.000 2.156 202 M HA -0.072 4.408 4.480 0.001 0.000 0.264 202 M C 2.114 178.441 176.300 0.046 0.000 1.067 202 M CA 1.161 56.418 55.300 -0.071 0.000 1.131 202 M CB -0.782 31.730 32.600 -0.146 0.000 1.368 202 M HN 0.319 nan 8.290 nan 0.000 0.416 203 L N 0.384 121.599 121.223 -0.014 0.000 2.127 203 L HA -0.205 4.136 4.340 0.001 0.000 0.211 203 L C 2.504 179.290 176.870 -0.141 0.000 1.089 203 L CA 1.463 56.224 54.840 -0.132 0.000 0.757 203 L CB -0.800 41.164 42.059 -0.159 0.000 0.899 203 L HN 0.412 nan 8.230 nan 0.000 0.434 204 S N -0.442 115.195 115.700 -0.105 0.000 2.507 204 S HA -0.075 4.396 4.470 0.001 0.000 0.235 204 S C 1.700 176.230 174.600 -0.116 0.000 0.988 204 S CA 0.623 58.767 58.200 -0.093 0.000 0.944 204 S CB -0.382 62.779 63.200 -0.064 0.000 0.762 204 S HN 0.447 nan 8.310 nan 0.000 0.526 205 L N 0.299 121.419 121.223 -0.173 0.000 2.446 205 L HA 0.215 4.556 4.340 0.001 0.000 0.219 205 L C 2.223 178.909 176.870 -0.308 0.000 1.116 205 L CA 0.177 54.868 54.840 -0.248 0.000 0.844 205 L CB -0.492 41.355 42.059 -0.354 0.000 0.970 205 L HN 0.297 nan 8.230 nan 0.000 0.457 206 L N 0.373 121.410 121.223 -0.311 0.000 2.013 206 L HA -0.190 4.150 4.340 0.001 0.000 0.212 206 L C -0.095 176.778 176.870 0.006 0.000 1.073 206 L CA 1.738 56.437 54.840 -0.235 0.000 0.753 206 L CB -1.949 39.959 42.059 -0.252 0.000 0.890 206 L HN 0.237 nan 8.230 nan 0.000 0.432 207 P HA -0.208 nan 4.420 nan 0.000 0.215 207 P C 1.486 178.776 177.300 -0.017 0.000 1.157 207 P CA 1.404 64.501 63.100 -0.006 0.000 0.868 207 P CB 0.045 31.729 31.700 -0.027 0.000 0.788 208 E N -0.614 119.558 120.200 -0.045 0.000 2.072 208 E HA -0.146 4.204 4.350 0.001 0.000 0.191 208 E C 1.986 178.561 176.600 -0.041 0.000 0.985 208 E CA 0.837 57.209 56.400 -0.046 0.000 0.801 208 E CB -0.424 29.241 29.700 -0.058 0.000 0.750 208 E HN 0.148 nan 8.360 nan 0.000 0.452 209 I N 0.967 121.504 120.570 -0.054 0.000 2.226 209 I HA -0.293 3.878 4.170 0.001 0.000 0.245 209 I C 2.695 178.839 176.117 0.044 0.000 1.100 209 I CA 1.182 62.469 61.300 -0.020 0.000 1.374 209 I CB -0.237 37.708 38.000 -0.091 0.000 1.057 209 I HN 0.080 nan 8.210 nan 0.000 0.413 210 K N 0.797 121.246 120.400 0.082 0.000 2.025 210 K HA -0.241 4.079 4.320 0.001 0.000 0.207 210 K C 2.242 178.787 176.600 -0.092 0.000 1.049 210 K CA 1.458 57.696 56.287 -0.082 0.000 0.933 210 K CB -0.121 32.320 32.500 -0.098 0.000 0.714 210 K HN 0.143 nan 8.250 nan 0.000 0.438 211 E N 0.886 121.053 120.200 -0.054 0.000 2.085 211 E HA -0.213 4.137 4.350 0.001 0.000 0.194 211 E C 1.554 178.126 176.600 -0.047 0.000 0.994 211 E CA 1.414 57.783 56.400 -0.051 0.000 0.801 211 E CB 0.107 29.784 29.700 -0.037 0.000 0.743 211 E HN 0.439 nan 8.360 nan 0.000 0.453 212 Q N -0.073 119.704 119.800 -0.038 0.000 2.444 212 Q HA -0.010 4.330 4.340 0.001 0.000 0.206 212 Q C -0.427 175.553 176.000 -0.034 0.000 0.948 212 Q CA 0.094 55.880 55.803 -0.029 0.000 0.946 212 Q CB 0.211 28.937 28.738 -0.019 0.000 1.027 212 Q HN 0.313 nan 8.270 nan 0.000 0.513 213 E N 0.058 120.224 120.200 -0.056 0.000 2.297 213 E HA -0.225 4.126 4.350 0.001 0.000 0.228 213 E C 0.230 176.805 176.600 -0.041 0.000 1.213 213 E CA -0.032 56.324 56.400 -0.073 0.000 0.712 213 E CB -1.406 28.251 29.700 -0.072 0.000 1.202 213 E HN 0.397 nan 8.360 nan 0.000 0.376 214 L N -0.989 120.228 121.223 -0.011 0.000 2.509 214 L HA 0.284 4.624 4.340 0.001 0.000 0.222 214 L C 0.846 177.753 176.870 0.062 0.000 1.123 214 L CA 0.733 55.585 54.840 0.019 0.000 0.856 214 L CB 0.288 42.357 42.059 0.017 0.000 0.985 214 L HN 0.333 nan 8.230 nan 0.000 0.456 215 A N -1.340 121.535 122.820 0.091 0.000 2.594 215 A HA 0.482 4.803 4.320 0.001 0.000 0.296 215 A C 0.211 177.867 177.584 0.120 0.000 1.061 215 A CA 0.041 52.185 52.037 0.179 0.000 0.689 215 A CB 0.934 20.126 19.000 0.320 0.000 1.280 215 A HN -0.001 nan 8.150 nan 0.000 0.406 216 S N -0.403 115.348 115.700 0.085 0.000 2.540 216 S HA 0.568 5.038 4.470 0.001 0.000 0.222 216 S C -0.109 174.287 174.600 -0.341 0.000 1.008 216 S CA 0.101 58.168 58.200 -0.220 0.000 0.939 216 S CB -0.174 62.838 63.200 -0.313 0.000 0.865 216 S HN 0.547 nan 8.310 nan 0.000 0.499 217 F N 1.176 121.292 119.950 0.276 0.000 2.603 217 F HA 0.802 5.330 4.527 0.001 0.000 0.317 217 F C -0.028 175.927 175.800 0.258 0.000 1.066 217 F CA -1.077 57.077 58.000 0.255 0.000 0.941 217 F CB 1.800 40.866 39.000 0.110 0.000 1.291 217 F HN 0.118 nan 8.300 nan 0.000 0.472 218 A N 1.375 124.413 122.820 0.364 0.000 2.355 218 A HA 0.674 4.994 4.320 0.001 0.000 0.317 218 A C -1.571 176.115 177.584 0.171 0.000 1.094 218 A CA -0.420 51.723 52.037 0.178 0.000 0.764 218 A CB 1.295 20.309 19.000 0.023 0.000 1.230 218 A HN 0.660 nan 8.150 nan 0.000 0.448 219 D N 0.720 121.171 120.400 0.084 0.000 2.477 219 D HA 0.753 5.393 4.640 0.001 0.000 0.234 219 D C -1.330 174.980 176.300 0.017 0.000 1.048 219 D CA -0.151 53.887 54.000 0.062 0.000 0.959 219 D CB 2.017 42.807 40.800 -0.017 0.000 1.408 219 D HN 0.548 nan 8.370 nan 0.000 0.496 220 I N 0.869 121.481 120.570 0.071 0.000 2.908 220 I HA 0.323 4.494 4.170 0.001 0.000 0.300 220 I C -1.831 174.431 176.117 0.242 0.000 1.385 220 I CA -0.822 60.495 61.300 0.029 0.000 1.004 220 I CB 2.032 39.982 38.000 -0.083 0.000 1.309 220 I HN 0.181 nan 8.210 nan 0.000 0.449 221 F N 5.567 125.592 119.950 0.124 0.000 2.334 221 F HA 0.470 4.997 4.527 0.000 0.000 0.365 221 F C -0.268 175.665 175.800 0.222 0.000 1.124 221 F CA -0.687 57.416 58.000 0.172 0.000 1.166 221 F CB 0.470 39.569 39.000 0.166 0.000 1.355 221 F HN 0.287 nan 8.300 nan 0.000 0.532 222 T N 4.876 119.608 114.554 0.297 0.000 2.875 222 T HA 0.330 4.681 4.350 0.001 0.000 0.307 222 T C -0.337 174.303 174.700 -0.099 0.000 1.013 222 T CA -0.126 62.032 62.100 0.097 0.000 0.970 222 T CB 0.210 69.163 68.868 0.143 0.000 0.986 222 T HN 0.547 nan 8.240 nan 0.000 0.536 223 E N 1.918 121.901 120.200 -0.361 0.000 2.390 223 E HA 0.378 4.729 4.350 0.001 0.000 0.277 223 E C -0.679 175.722 176.600 -0.331 0.000 0.939 223 E CA -0.640 55.490 56.400 -0.450 0.000 0.769 223 E CB 1.206 30.277 29.700 -1.048 0.000 1.251 223 E HN 0.252 nan 8.360 nan 0.000 0.450 224 T N 2.362 116.785 114.554 -0.217 0.000 2.866 224 T HA 0.368 4.718 4.350 0.001 0.000 0.293 224 T C 1.121 175.697 174.700 -0.206 0.000 1.005 224 T CA 1.519 63.523 62.100 -0.161 0.000 1.162 224 T CB 0.029 68.834 68.868 -0.106 0.000 0.968 224 T HN 0.872 nan 8.240 nan 0.000 0.530 225 G N 2.331 111.020 108.800 -0.186 0.000 2.320 225 G HA2 -0.305 3.655 3.960 0.001 0.000 0.242 225 G HA3 -0.305 3.655 3.960 0.001 0.000 0.242 225 G C 0.643 175.363 174.900 -0.300 0.000 1.033 225 G CA 0.298 45.276 45.100 -0.205 0.000 0.620 225 G HN 0.672 nan 8.290 nan 0.000 0.517 226 V N 0.171 119.840 119.914 -0.407 0.000 4.522 226 V HA 0.627 4.748 4.120 0.001 0.000 0.153 226 V C 1.053 176.773 176.094 -0.625 0.000 1.321 226 V CA 0.404 62.323 62.300 -0.635 0.000 1.373 226 V CB -0.481 30.898 31.823 -0.741 0.000 1.448 226 V HN 0.181 nan 8.190 nan 0.000 0.403 227 F N 0.933 120.782 119.950 -0.168 0.000 2.404 227 F HA 0.478 5.005 4.527 0.001 0.000 0.339 227 F C 0.904 176.653 175.800 -0.084 0.000 1.105 227 F CA -0.605 57.336 58.000 -0.099 0.000 1.087 227 F CB 1.231 40.181 39.000 -0.084 0.000 1.143 227 F HN 0.405 nan 8.300 nan 0.000 0.491 228 T N -1.028 113.613 114.554 0.146 0.000 2.788 228 T HA 0.201 4.551 4.350 0.001 0.000 0.280 228 T C 1.091 175.841 174.700 0.085 0.000 0.984 228 T CA -0.850 61.294 62.100 0.074 0.000 0.972 228 T CB 1.244 70.146 68.868 0.057 0.000 1.039 228 T HN 0.338 nan 8.240 nan 0.000 0.530 229 V N 1.578 121.528 119.914 0.059 0.000 2.343 229 V HA -0.172 3.948 4.120 0.001 0.000 0.247 229 V C 3.143 179.276 176.094 0.064 0.000 1.051 229 V CA 2.404 64.742 62.300 0.062 0.000 1.036 229 V CB -1.253 30.599 31.823 0.048 0.000 0.654 229 V HN 1.107 nan 8.190 nan 0.000 0.451 230 S N -0.207 115.528 115.700 0.058 0.000 2.383 230 S HA -0.273 4.197 4.470 0.001 0.000 0.227 230 S C 1.895 176.534 174.600 0.066 0.000 1.026 230 S CA 1.484 59.718 58.200 0.056 0.000 0.981 230 S CB -0.463 62.766 63.200 0.048 0.000 0.818 230 S HN 0.688 nan 8.310 nan 0.000 0.472 231 Q N 1.016 120.863 119.800 0.078 0.000 2.119 231 Q HA 0.017 4.358 4.340 0.001 0.000 0.201 231 Q C 2.433 178.472 176.000 0.065 0.000 0.972 231 Q CA 1.568 57.416 55.803 0.076 0.000 0.847 231 Q CB -0.272 28.531 28.738 0.108 0.000 0.903 231 Q HN 0.614 nan 8.270 nan 0.000 0.433 232 S N 0.575 116.319 115.700 0.073 0.000 2.383 232 S HA -0.133 4.338 4.470 0.001 0.000 0.227 232 S C 1.771 176.442 174.600 0.118 0.000 1.026 232 S CA 0.944 59.196 58.200 0.087 0.000 0.981 232 S CB -0.144 63.114 63.200 0.096 0.000 0.818 232 S HN 0.319 nan 8.310 nan 0.000 0.472 233 R N 1.611 122.165 120.500 0.090 0.000 2.070 233 R HA -0.052 4.289 4.340 0.001 0.000 0.233 233 R C 2.487 178.830 176.300 0.071 0.000 1.137 233 R CA 1.538 57.684 56.100 0.076 0.000 0.945 233 R CB -0.267 30.068 30.300 0.059 0.000 0.845 233 R HN 0.273 nan 8.270 nan 0.000 0.430 234 R N -0.767 119.775 120.500 0.069 0.000 2.091 234 R HA -0.232 4.109 4.340 0.001 0.000 0.238 234 R C 2.203 178.535 176.300 0.053 0.000 1.136 234 R CA 1.972 58.103 56.100 0.053 0.000 0.959 234 R CB -0.586 29.745 30.300 0.053 0.000 0.856 234 R HN 0.366 nan 8.270 nan 0.000 0.437 235 Y N 1.095 121.364 120.300 -0.052 0.000 2.089 235 Y HA -0.203 4.348 4.550 0.001 0.000 0.282 235 Y C 1.978 177.844 175.900 -0.057 0.000 1.139 235 Y CA 1.998 60.047 58.100 -0.086 0.000 1.123 235 Y CB -0.310 38.062 38.460 -0.147 0.000 0.980 235 Y HN 0.030 nan 8.280 nan 0.000 0.493 236 L N -0.196 121.087 121.223 0.100 0.000 2.083 236 L HA -0.256 4.085 4.340 0.001 0.000 0.209 236 L C 2.477 179.339 176.870 -0.013 0.000 1.083 236 L CA 1.485 56.348 54.840 0.039 0.000 0.752 236 L CB -0.660 41.470 42.059 0.118 0.000 0.899 236 L HN 0.333 nan 8.230 nan 0.000 0.433 237 Q N -0.092 119.707 119.800 -0.000 0.000 2.124 237 Q HA -0.246 4.094 4.340 0.001 0.000 0.202 237 Q C 2.173 178.151 176.000 -0.036 0.000 0.977 237 Q CA 1.360 57.161 55.803 -0.003 0.000 0.850 237 Q CB -0.032 28.711 28.738 0.008 0.000 0.901 237 Q HN 0.187 nan 8.270 nan 0.000 0.429 238 K N 0.986 121.335 120.400 -0.085 0.000 2.097 238 K HA -0.073 4.247 4.320 0.001 0.000 0.205 238 K C 1.771 178.291 176.600 -0.134 0.000 1.050 238 K CA 1.344 57.562 56.287 -0.115 0.000 0.938 238 K CB -0.388 32.011 32.500 -0.169 0.000 0.718 238 K HN 0.164 nan 8.250 nan 0.000 0.442 239 A N 0.392 123.089 122.820 -0.206 0.000 1.930 239 A HA -0.007 4.314 4.320 0.001 0.000 0.217 239 A C 2.334 179.949 177.584 0.052 0.000 1.175 239 A CA 1.864 53.797 52.037 -0.174 0.000 0.627 239 A CB -0.915 17.923 19.000 -0.271 0.000 0.815 239 A HN 0.400 nan 8.150 nan 0.000 0.443 240 A N -0.145 122.694 122.820 0.031 0.000 1.898 240 A HA -0.140 4.180 4.320 0.001 0.000 0.216 240 A C 1.877 179.486 177.584 0.041 0.000 1.181 240 A CA 1.473 53.545 52.037 0.057 0.000 0.620 240 A CB -0.512 18.511 19.000 0.039 0.000 0.819 240 A HN 0.608 nan 8.150 nan 0.000 0.442 241 E N -0.284 119.927 120.200 0.018 0.000 2.209 241 E HA -0.124 4.226 4.350 0.001 0.000 0.196 241 E C 1.869 178.481 176.600 0.020 0.000 0.993 241 E CA 0.854 57.258 56.400 0.008 0.000 0.819 241 E CB -0.217 29.479 29.700 -0.007 0.000 0.745 241 E HN 0.616 nan 8.360 nan 0.000 0.477 242 A N 0.012 122.873 122.820 0.068 0.000 2.238 242 A HA 0.260 4.580 4.320 0.001 0.000 0.208 242 A C 1.669 179.297 177.584 0.073 0.000 1.177 242 A CA 0.812 52.922 52.037 0.122 0.000 0.804 242 A CB -0.106 19.044 19.000 0.249 0.000 0.823 242 A HN 0.327 nan 8.150 nan 0.000 0.482 243 G N -2.007 106.809 108.800 0.027 0.000 2.175 243 G HA2 -0.237 3.724 3.960 0.001 0.000 0.244 243 G HA3 -0.237 3.724 3.960 0.001 0.000 0.244 243 G C -0.045 174.731 174.900 -0.206 0.000 0.982 243 G CA 0.070 45.099 45.100 -0.117 0.000 0.641 243 G HN 0.310 nan 8.290 nan 0.000 0.527 244 F N 1.580 121.460 119.950 -0.117 0.000 2.399 244 F HA 0.578 5.105 4.527 -0.001 0.000 0.342 244 F C 1.454 177.170 175.800 -0.140 0.000 1.106 244 F CA 0.182 58.094 58.000 -0.147 0.000 1.196 244 F CB 0.967 39.920 39.000 -0.078 0.000 1.163 244 F HN 0.186 nan 8.300 nan 0.000 0.547 245 G N 2.122 110.845 108.800 -0.128 0.000 2.606 245 G HA2 0.438 4.398 3.960 0.001 0.000 0.252 245 G HA3 0.438 4.398 3.960 0.001 0.000 0.252 245 G C -1.196 173.901 174.900 0.328 0.000 1.206 245 G CA -0.467 44.619 45.100 -0.024 0.000 0.861 245 G HN 0.348 nan 8.290 nan 0.000 0.561 246 L N 0.415 121.847 121.223 0.348 0.000 2.329 246 L HA 0.592 4.932 4.340 0.001 0.000 0.279 246 L C 0.346 177.364 176.870 0.247 0.000 1.014 246 L CA -0.471 54.534 54.840 0.276 0.000 0.814 246 L CB 1.847 44.009 42.059 0.173 0.000 1.257 246 L HN 0.557 nan 8.230 nan 0.000 0.424 247 K N 3.141 123.653 120.400 0.187 0.000 2.480 247 K HA 0.766 5.087 4.320 0.001 0.000 0.258 247 K C -1.595 175.082 176.600 0.128 0.000 0.990 247 K CA -0.771 55.572 56.287 0.094 0.000 0.857 247 K CB 3.228 35.721 32.500 -0.011 0.000 1.384 247 K HN 0.500 nan 8.250 nan 0.000 0.446 248 I N 0.729 121.378 120.570 0.131 0.000 2.787 248 I HA 0.218 4.388 4.170 0.001 0.000 0.294 248 I C -1.654 174.623 176.117 0.266 0.000 1.365 248 I CA -0.640 60.788 61.300 0.213 0.000 1.029 248 I CB 1.807 39.916 38.000 0.181 0.000 1.313 248 I HN 0.692 nan 8.210 nan 0.000 0.431 249 H N 6.022 125.238 119.070 0.243 0.000 2.872 249 H HA 0.635 5.191 4.556 0.001 0.000 0.273 249 H C -0.081 175.452 175.328 0.341 0.000 1.205 249 H CA 0.092 56.363 56.048 0.372 0.000 1.342 249 H CB 0.847 30.838 29.762 0.381 0.000 1.469 249 H HN 0.552 nan 8.280 nan 0.000 0.487 250 A N 2.333 125.345 122.820 0.320 0.000 2.337 250 A HA 0.433 4.753 4.320 0.001 0.000 0.329 250 A C -0.257 177.434 177.584 0.178 0.000 1.146 250 A CA -0.924 51.248 52.037 0.225 0.000 0.800 250 A CB 0.565 19.660 19.000 0.158 0.000 1.220 250 A HN 0.782 nan 8.150 nan 0.000 0.472 251 D N 1.024 121.502 120.400 0.130 0.000 2.704 251 D HA -0.196 4.444 4.640 0.001 0.000 0.232 251 D C 0.686 177.032 176.300 0.077 0.000 1.183 251 D CA 1.516 55.566 54.000 0.084 0.000 0.647 251 D CB -0.680 40.162 40.800 0.069 0.000 1.013 251 D HN 0.913 nan 8.370 nan 0.000 0.415 252 E N -0.540 119.703 120.200 0.072 0.000 2.268 252 E HA -0.101 4.249 4.350 0.001 0.000 0.195 252 E C 1.796 178.381 176.600 -0.025 0.000 0.995 252 E CA 0.838 57.228 56.400 -0.017 0.000 0.836 252 E CB 0.285 29.894 29.700 -0.151 0.000 0.763 252 E HN 0.579 nan 8.360 nan 0.000 0.491 253 I N -0.617 119.953 120.570 -0.001 0.000 3.650 253 I HA 0.126 4.296 4.170 0.001 0.000 0.261 253 I C 0.396 176.511 176.117 -0.003 0.000 1.154 253 I CA -0.269 61.024 61.300 -0.011 0.000 1.418 253 I CB 0.396 38.391 38.000 -0.009 0.000 1.539 253 I HN -0.107 nan 8.210 nan 0.000 0.449 254 D N 2.296 122.697 120.400 0.001 0.000 2.414 254 D HA 0.295 4.936 4.640 0.001 0.000 0.241 254 D C -2.431 173.877 176.300 0.014 0.000 1.008 254 D CA -1.388 52.614 54.000 0.003 0.000 1.001 254 D CB 1.424 42.221 40.800 -0.005 0.000 1.277 254 D HN -0.033 nan 8.370 nan 0.000 0.538 255 P HA 0.183 nan 4.420 nan 0.000 0.238 255 P C 0.669 177.981 177.300 0.019 0.000 1.794 255 P CA 0.004 63.117 63.100 0.021 0.000 1.088 255 P CB -0.098 31.614 31.700 0.019 0.000 1.923 256 L N 0.613 121.849 121.223 0.021 0.000 2.554 256 L HA 0.172 4.512 4.340 0.001 0.000 0.226 256 L C 1.669 178.556 176.870 0.027 0.000 1.137 256 L CA 0.878 55.728 54.840 0.017 0.000 0.863 256 L CB -0.718 41.348 42.059 0.011 0.000 0.985 256 L HN 0.416 nan 8.230 nan 0.000 0.451 257 G N -0.450 108.371 108.800 0.035 0.000 2.131 257 G HA2 -0.228 3.733 3.960 0.001 0.000 0.223 257 G HA3 -0.228 3.733 3.960 0.001 0.000 0.223 257 G C 0.850 175.781 174.900 0.051 0.000 0.990 257 G CA 0.070 45.193 45.100 0.039 0.000 0.671 257 G HN 0.413 nan 8.290 nan 0.000 0.521 258 G N 0.497 109.335 108.800 0.062 0.000 2.402 258 G HA2 0.233 4.194 3.960 0.001 0.000 0.216 258 G HA3 0.233 4.194 3.960 0.001 0.000 0.216 258 G C 1.984 176.932 174.900 0.080 0.000 1.162 258 G CA 2.448 47.597 45.100 0.083 0.000 0.777 258 G HN 1.543 nan 8.290 nan 0.000 0.539 259 A N 1.063 123.926 122.820 0.070 0.000 1.877 259 A HA -0.015 4.305 4.320 0.001 0.000 0.216 259 A C 2.189 179.805 177.584 0.054 0.000 1.186 259 A CA 2.144 54.218 52.037 0.062 0.000 0.620 259 A CB -0.426 18.607 19.000 0.053 0.000 0.822 259 A HN 0.353 nan 8.150 nan 0.000 0.443 260 E N -0.475 119.754 120.200 0.048 0.000 2.058 260 E HA -0.194 4.157 4.350 0.001 0.000 0.194 260 E C 1.890 178.519 176.600 0.047 0.000 0.997 260 E CA 1.308 57.734 56.400 0.043 0.000 0.801 260 E CB -0.380 29.342 29.700 0.037 0.000 0.746 260 E HN 0.517 nan 8.360 nan 0.000 0.450 261 L N 0.528 121.784 121.223 0.054 0.000 2.017 261 L HA -0.119 4.221 4.340 0.001 0.000 0.208 261 L C 2.094 179.003 176.870 0.064 0.000 1.073 261 L CA 2.109 56.984 54.840 0.059 0.000 0.745 261 L CB -0.851 41.248 42.059 0.067 0.000 0.894 261 L HN 0.124 nan 8.230 nan 0.000 0.432 262 A N -0.452 122.411 122.820 0.071 0.000 1.883 262 A HA -0.135 4.186 4.320 0.001 0.000 0.217 262 A C 2.352 179.975 177.584 0.063 0.000 1.186 262 A CA 1.789 53.871 52.037 0.075 0.000 0.624 262 A CB -1.677 17.370 19.000 0.079 0.000 0.822 262 A HN 0.547 nan 8.150 nan 0.000 0.444 263 G N -0.468 108.364 108.800 0.054 0.000 2.418 263 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 263 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 263 G C 1.663 176.588 174.900 0.043 0.000 1.158 263 G CA 1.080 46.208 45.100 0.045 0.000 0.771 263 G HN 0.597 nan 8.290 nan 0.000 0.545 264 K N -0.116 120.310 120.400 0.043 0.000 2.148 264 K HA 0.128 4.448 4.320 0.001 0.000 0.204 264 K C 2.114 178.740 176.600 0.042 0.000 1.050 264 K CA 0.550 56.861 56.287 0.039 0.000 0.942 264 K CB -0.174 32.349 32.500 0.038 0.000 0.724 264 K HN 0.274 nan 8.250 nan 0.000 0.446 265 L N 0.797 122.051 121.223 0.051 0.000 2.591 265 L HA 0.064 4.404 4.340 0.001 0.000 0.228 265 L C -0.180 176.726 176.870 0.059 0.000 1.133 265 L CA -0.016 54.857 54.840 0.055 0.000 0.880 265 L CB -0.059 42.039 42.059 0.065 0.000 1.033 265 L HN 0.110 nan 8.230 nan 0.000 0.450 266 K N -0.305 120.129 120.400 0.057 0.000 3.096 266 K HA -0.169 4.151 4.320 0.001 0.000 0.266 266 K C 0.339 176.986 176.600 0.080 0.000 1.043 266 K CA 0.789 57.112 56.287 0.060 0.000 0.758 266 K CB -2.067 30.465 32.500 0.052 0.000 1.260 266 K HN 0.336 nan 8.250 nan 0.000 0.481 267 A N 0.185 123.057 122.820 0.086 0.000 2.466 267 A HA 0.229 4.549 4.320 0.001 0.000 0.238 267 A C 1.631 179.283 177.584 0.112 0.000 1.074 267 A CA 0.436 52.539 52.037 0.110 0.000 0.774 267 A CB 0.765 19.827 19.000 0.103 0.000 1.015 267 A HN 0.232 nan 8.150 nan 0.000 0.498 268 V N 1.435 121.440 119.914 0.151 0.000 2.427 268 V HA 0.039 4.159 4.120 0.001 0.000 0.248 268 V C 1.025 177.159 176.094 0.068 0.000 1.051 268 V CA 2.478 64.863 62.300 0.142 0.000 1.048 268 V CB -0.368 31.593 31.823 0.231 0.000 0.666 268 V HN 1.436 nan 8.190 nan 0.000 0.456 269 S N -1.278 114.445 115.700 0.038 0.000 2.570 269 S HA 0.809 5.280 4.470 0.001 0.000 0.270 269 S C -0.824 173.792 174.600 0.027 0.000 1.149 269 S CA -0.185 58.022 58.200 0.013 0.000 0.837 269 S CB 1.864 65.041 63.200 -0.039 0.000 1.124 269 S HN 1.060 nan 8.310 nan 0.000 0.465 270 A N 1.354 124.190 122.820 0.027 0.000 2.343 270 A HA 0.775 5.096 4.320 0.001 0.000 0.308 270 A C -1.567 176.028 177.584 0.018 0.000 1.092 270 A CA -0.640 51.425 52.037 0.046 0.000 0.751 270 A CB 0.877 19.912 19.000 0.058 0.000 1.203 270 A HN 0.774 nan 8.150 nan 0.000 0.452 271 D N 0.865 121.270 120.400 0.008 0.000 2.252 271 D HA 0.703 5.343 4.640 0.001 0.000 0.245 271 D C 0.629 176.901 176.300 -0.048 0.000 1.009 271 D CA 0.199 54.138 54.000 -0.102 0.000 0.870 271 D CB 0.867 41.570 40.800 -0.162 0.000 1.251 271 D HN 0.601 nan 8.370 nan 0.000 0.460 272 H N 0.836 119.831 119.070 -0.124 0.000 4.686 272 H HA -0.216 4.341 4.556 0.001 0.000 0.061 272 H C 0.663 175.975 175.328 -0.027 0.000 0.624 272 H CA 0.865 56.860 56.048 -0.088 0.000 0.900 272 H CB -0.986 28.748 29.762 -0.047 0.000 0.412 272 H HN 0.454 nan 8.280 nan 0.000 0.815 273 L N 0.668 121.990 121.223 0.165 0.000 3.843 273 L HA -0.251 4.090 4.340 0.001 0.000 0.411 273 L C 1.615 178.529 176.870 0.075 0.000 1.205 273 L CA 0.502 55.400 54.840 0.097 0.000 0.945 273 L CB -1.597 40.501 42.059 0.065 0.000 1.929 273 L HN 0.229 nan 8.230 nan 0.000 0.934 274 V N -0.518 119.441 119.914 0.074 0.000 2.427 274 V HA -0.157 3.964 4.120 0.001 0.000 0.248 274 V C 2.197 178.311 176.094 0.034 0.000 1.051 274 V CA 2.470 64.797 62.300 0.044 0.000 1.048 274 V CB -0.273 31.556 31.823 0.011 0.000 0.666 274 V HN 0.678 nan 8.190 nan 0.000 0.456 275 G N -0.818 108.001 108.800 0.032 0.000 3.189 275 G HA2 0.057 4.017 3.960 0.001 0.000 0.225 275 G HA3 0.057 4.017 3.960 0.001 0.000 0.225 275 G C 0.558 175.477 174.900 0.031 0.000 1.159 275 G CA 0.038 45.153 45.100 0.025 0.000 0.763 275 G HN 0.422 nan 8.290 nan 0.000 0.549 276 T N 1.968 116.546 114.554 0.040 0.000 2.934 276 T HA 0.298 4.649 4.350 0.001 0.000 0.306 276 T C 1.129 175.848 174.700 0.032 0.000 1.042 276 T CA 0.366 62.490 62.100 0.040 0.000 1.145 276 T CB 0.981 69.876 68.868 0.045 0.000 0.982 276 T HN 0.415 nan 8.240 nan 0.000 0.544 277 S N 2.394 118.112 115.700 0.029 0.000 2.634 277 S HA 0.182 4.652 4.470 0.001 0.000 0.261 277 S C 0.849 175.464 174.600 0.025 0.000 1.271 277 S CA -0.816 57.399 58.200 0.025 0.000 0.985 277 S CB 0.672 63.886 63.200 0.022 0.000 0.968 277 S HN 0.597 nan 8.310 nan 0.000 0.568 278 D N 0.800 121.213 120.400 0.021 0.000 2.178 278 D HA -0.047 4.594 4.640 0.001 0.000 0.202 278 D C 1.753 178.065 176.300 0.020 0.000 0.974 278 D CA 1.257 55.269 54.000 0.020 0.000 0.841 278 D CB -0.334 40.476 40.800 0.017 0.000 0.953 278 D HN 0.660 nan 8.370 nan 0.000 0.478 279 E N 0.430 120.642 120.200 0.020 0.000 2.051 279 E HA -0.072 4.279 4.350 0.001 0.000 0.192 279 E C 2.211 178.825 176.600 0.023 0.000 0.991 279 E CA 1.183 57.596 56.400 0.020 0.000 0.799 279 E CB -0.743 28.969 29.700 0.020 0.000 0.748 279 E HN 0.291 nan 8.360 nan 0.000 0.449 280 G N 0.928 109.744 108.800 0.027 0.000 2.446 280 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 280 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 280 G C 1.651 176.569 174.900 0.030 0.000 1.168 280 G CA 0.934 46.053 45.100 0.031 0.000 0.771 280 G HN 0.182 nan 8.290 nan 0.000 0.551 281 I N 0.144 120.730 120.570 0.027 0.000 2.163 281 I HA -0.186 3.984 4.170 0.001 0.000 0.243 281 I C 2.846 178.976 176.117 0.021 0.000 1.085 281 I CA 1.454 62.769 61.300 0.025 0.000 1.347 281 I CB -0.153 37.861 38.000 0.023 0.000 1.044 281 I HN 0.083 nan 8.210 nan 0.000 0.408 282 K N 0.696 121.108 120.400 0.019 0.000 2.097 282 K HA -0.141 4.180 4.320 0.001 0.000 0.206 282 K C 2.150 178.761 176.600 0.017 0.000 1.049 282 K CA 1.071 57.368 56.287 0.016 0.000 0.933 282 K CB -0.075 32.434 32.500 0.015 0.000 0.717 282 K HN 0.057 nan 8.250 nan 0.000 0.442 283 K N 0.522 120.935 120.400 0.021 0.000 2.097 283 K HA -0.081 4.240 4.320 0.001 0.000 0.206 283 K C 2.000 178.614 176.600 0.024 0.000 1.049 283 K CA 1.150 57.451 56.287 0.023 0.000 0.933 283 K CB -0.209 32.307 32.500 0.028 0.000 0.717 283 K HN 0.160 nan 8.250 nan 0.000 0.442 284 L N 0.168 121.406 121.223 0.026 0.000 1.994 284 L HA -0.188 4.153 4.340 0.001 0.000 0.208 284 L C 2.615 179.496 176.870 0.018 0.000 1.071 284 L CA 1.351 56.207 54.840 0.026 0.000 0.745 284 L CB -0.643 41.432 42.059 0.027 0.000 0.892 284 L HN 0.124 nan 8.230 nan 0.000 0.431 285 A N -0.161 122.667 122.820 0.014 0.000 1.883 285 A HA -0.286 4.035 4.320 0.001 0.000 0.217 285 A C 2.282 179.869 177.584 0.005 0.000 1.186 285 A CA 2.031 54.072 52.037 0.007 0.000 0.624 285 A CB -0.650 18.353 19.000 0.006 0.000 0.822 285 A HN 0.509 nan 8.150 nan 0.000 0.444 286 E N -0.194 120.012 120.200 0.009 0.000 2.085 286 E HA -0.153 4.198 4.350 0.001 0.000 0.194 286 E C 1.965 178.571 176.600 0.011 0.000 0.994 286 E CA 1.180 57.585 56.400 0.009 0.000 0.801 286 E CB -0.233 29.474 29.700 0.012 0.000 0.743 286 E HN 0.535 nan 8.360 nan 0.000 0.453 287 A N -0.112 122.717 122.820 0.016 0.000 2.123 287 A HA 0.200 4.521 4.320 0.001 0.000 0.214 287 A C 1.808 179.403 177.584 0.019 0.000 1.152 287 A CA 1.094 53.144 52.037 0.021 0.000 0.728 287 A CB -0.268 18.750 19.000 0.029 0.000 0.814 287 A HN 0.515 nan 8.150 nan 0.000 0.464 288 G N -1.157 107.649 108.800 0.012 0.000 2.136 288 G HA2 -0.212 3.748 3.960 0.001 0.000 0.242 288 G HA3 -0.212 3.748 3.960 0.001 0.000 0.242 288 G C 0.286 175.196 174.900 0.017 0.000 0.989 288 G CA 0.392 45.495 45.100 0.004 0.000 0.682 288 G HN 0.588 nan 8.290 nan 0.000 0.522 289 T N 1.237 115.807 114.554 0.026 0.000 2.814 289 T HA 0.476 4.826 4.350 0.001 0.000 0.297 289 T C 1.134 175.851 174.700 0.028 0.000 0.956 289 T CA -0.002 62.120 62.100 0.037 0.000 1.123 289 T CB 0.976 69.870 68.868 0.043 0.000 0.902 289 T HN 0.315 nan 8.240 nan 0.000 0.528 290 I N 2.721 123.310 120.570 0.031 0.000 2.496 290 I HA 0.295 4.466 4.170 0.001 0.000 0.285 290 I C 0.813 176.939 176.117 0.016 0.000 1.080 290 I CA -0.546 60.768 61.300 0.024 0.000 1.404 290 I CB 0.684 38.706 38.000 0.035 0.000 1.403 290 I HN 0.600 nan 8.210 nan 0.000 0.539 291 A N 7.396 130.224 122.820 0.012 0.000 2.391 291 A HA 0.457 4.777 4.320 0.001 0.000 0.316 291 A C -0.235 177.344 177.584 -0.009 0.000 1.381 291 A CA -0.411 51.630 52.037 0.007 0.000 0.998 291 A CB 0.037 19.045 19.000 0.013 0.000 1.147 291 A HN 0.497 nan 8.150 nan 0.000 0.545 292 V N 5.466 125.362 119.914 -0.030 0.000 2.356 292 V HA 0.150 4.270 4.120 0.001 0.000 0.258 292 V C 0.240 176.265 176.094 -0.115 0.000 1.065 292 V CA 0.009 62.271 62.300 -0.063 0.000 0.935 292 V CB 0.137 31.922 31.823 -0.063 0.000 1.061 292 V HN 0.711 nan 8.190 nan 0.000 0.484 293 L N 6.126 127.300 121.223 -0.083 0.000 2.350 293 L HA 0.486 4.827 4.340 0.001 0.000 0.275 293 L C -0.108 176.684 176.870 -0.130 0.000 1.099 293 L CA -0.386 54.407 54.840 -0.079 0.000 0.808 293 L CB 0.967 43.019 42.059 -0.012 0.000 1.149 293 L HN 0.489 nan 8.230 nan 0.000 0.442 294 L N 4.921 126.053 121.223 -0.152 0.000 2.581 294 L HA 0.255 4.595 4.340 0.001 0.000 0.241 294 L C -1.458 175.408 176.870 -0.008 0.000 1.265 294 L CA -1.194 53.542 54.840 -0.172 0.000 0.954 294 L CB 0.785 42.591 42.059 -0.422 0.000 1.269 294 L HN 0.429 nan 8.230 nan 0.000 0.475 295 P HA -0.140 nan 4.420 nan 0.000 0.220 295 P C 1.475 178.927 177.300 0.253 0.000 1.148 295 P CA 1.197 64.446 63.100 0.248 0.000 0.803 295 P CB 0.449 32.274 31.700 0.208 0.000 0.782 296 G N 0.129 109.015 108.800 0.143 0.000 2.402 296 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 296 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 296 G C 1.520 176.558 174.900 0.229 0.000 1.162 296 G CA 1.337 46.555 45.100 0.195 0.000 0.777 296 G HN 0.199 nan 8.290 nan 0.000 0.539 297 T N 0.952 115.571 114.554 0.108 0.000 2.746 297 T HA -0.109 4.241 4.350 0.001 0.000 0.267 297 T C 2.626 177.348 174.700 0.038 0.000 1.039 297 T CA 1.746 63.892 62.100 0.077 0.000 1.142 297 T CB -0.504 68.399 68.868 0.058 0.000 0.866 297 T HN 0.273 nan 8.240 nan 0.000 0.444 298 T N 1.941 116.483 114.554 -0.021 0.000 2.708 298 T HA -0.064 4.286 4.350 0.001 0.000 0.266 298 T C 1.561 176.144 174.700 -0.196 0.000 1.037 298 T CA 1.191 63.157 62.100 -0.224 0.000 1.146 298 T CB -0.528 68.008 68.868 -0.552 0.000 0.865 298 T HN 0.407 nan 8.240 nan 0.000 0.435 299 F N 0.811 120.678 119.950 -0.140 0.000 2.134 299 F HA -0.127 4.400 4.527 0.001 0.000 0.299 299 F C 2.108 177.909 175.800 0.002 0.000 1.097 299 F CA 0.929 58.913 58.000 -0.028 0.000 1.264 299 F CB -0.602 38.464 39.000 0.109 0.000 1.001 299 F HN 0.155 nan 8.300 nan 0.000 0.479 300 Y N 0.655 120.821 120.300 -0.222 0.000 2.293 300 Y HA -0.063 4.487 4.550 0.001 0.000 0.291 300 Y C 1.883 177.621 175.900 -0.270 0.000 1.137 300 Y CA 1.432 59.348 58.100 -0.307 0.000 1.202 300 Y CB -0.374 38.042 38.460 -0.074 0.000 0.990 300 Y HN 0.099 nan 8.280 nan 0.000 0.537 301 L N -0.696 120.424 121.223 -0.170 0.000 2.551 301 L HA 0.045 4.385 4.340 0.001 0.000 0.228 301 L C 1.699 178.418 176.870 -0.253 0.000 1.153 301 L CA 0.889 55.616 54.840 -0.188 0.000 0.851 301 L CB -0.771 41.200 42.059 -0.147 0.000 0.959 301 L HN 0.468 nan 8.230 nan 0.000 0.451 302 G N 0.359 108.953 108.800 -0.343 0.000 2.147 302 G HA2 -0.277 3.684 3.960 0.001 0.000 0.244 302 G HA3 -0.277 3.684 3.960 0.001 0.000 0.244 302 G C 0.222 174.995 174.900 -0.211 0.000 1.005 302 G CA 0.120 45.034 45.100 -0.309 0.000 0.713 302 G HN 0.367 nan 8.290 nan 0.000 0.515 303 K N -0.614 119.655 120.400 -0.219 0.000 2.132 303 K HA 0.729 5.049 4.320 0.001 0.000 0.241 303 K C 0.798 177.281 176.600 -0.195 0.000 1.000 303 K CA -0.300 55.873 56.287 -0.191 0.000 0.911 303 K CB 1.401 33.771 32.500 -0.217 0.000 1.093 303 K HN 0.014 nan 8.250 nan 0.000 0.460 304 S N -0.177 115.450 115.700 -0.122 0.000 2.787 304 S HA 0.075 4.546 4.470 0.001 0.000 0.255 304 S C -0.580 174.086 174.600 0.110 0.000 1.051 304 S CA -0.215 58.003 58.200 0.030 0.000 1.124 304 S CB 0.865 64.118 63.200 0.089 0.000 1.104 304 S HN 0.525 nan 8.310 nan 0.000 0.623 305 T N 2.731 117.258 114.554 -0.045 0.000 2.762 305 T HA 0.478 4.829 4.350 0.001 0.000 0.303 305 T C -0.830 173.841 174.700 -0.049 0.000 0.977 305 T CA -0.084 62.038 62.100 0.036 0.000 0.961 305 T CB 0.129 68.999 68.868 0.003 0.000 0.944 305 T HN 0.113 nan 8.240 nan 0.000 0.481 306 Y N 1.380 121.699 120.300 0.031 0.000 2.480 306 Y HA 0.600 5.151 4.550 0.001 0.000 0.323 306 Y C 0.952 176.871 175.900 0.031 0.000 1.267 306 Y CA -1.345 56.775 58.100 0.034 0.000 1.336 306 Y CB 0.485 38.976 38.460 0.052 0.000 1.361 306 Y HN 0.674 nan 8.280 nan 0.000 0.518 307 A N 0.984 123.920 122.820 0.194 0.000 2.507 307 A HA 0.169 4.490 4.320 0.001 0.000 0.235 307 A C 0.258 177.907 177.584 0.109 0.000 1.070 307 A CA -0.473 51.633 52.037 0.115 0.000 0.768 307 A CB -0.026 19.029 19.000 0.092 0.000 1.011 307 A HN 0.809 nan 8.150 nan 0.000 0.502 308 R N 2.386 122.931 120.500 0.074 0.000 4.164 308 R HA 0.202 4.542 4.340 0.001 0.000 0.195 308 R C 1.302 177.630 176.300 0.045 0.000 1.712 308 R CA 0.381 56.516 56.100 0.058 0.000 1.457 308 R CB -0.228 30.100 30.300 0.046 0.000 1.387 308 R HN 0.792 nan 8.270 nan 0.000 0.785 309 A N 1.534 124.382 122.820 0.046 0.000 1.908 309 A HA -0.246 4.074 4.320 0.001 0.000 0.218 309 A C 2.204 179.802 177.584 0.023 0.000 1.181 309 A CA 1.357 53.413 52.037 0.031 0.000 0.627 309 A CB -0.177 18.838 19.000 0.025 0.000 0.818 309 A HN 0.365 nan 8.150 nan 0.000 0.445 310 R N 0.248 120.760 120.500 0.020 0.000 2.073 310 R HA -0.011 4.329 4.340 0.001 0.000 0.234 310 R C 2.160 178.470 176.300 0.017 0.000 1.134 310 R CA 2.009 58.119 56.100 0.016 0.000 0.952 310 R CB -1.072 29.235 30.300 0.012 0.000 0.850 310 R HN 0.387 nan 8.270 nan 0.000 0.433 311 A N 0.292 123.124 122.820 0.020 0.000 1.902 311 A HA -0.160 4.160 4.320 0.001 0.000 0.217 311 A C 2.300 179.895 177.584 0.018 0.000 1.181 311 A CA 1.864 53.913 52.037 0.019 0.000 0.623 311 A CB -0.496 18.518 19.000 0.023 0.000 0.818 311 A HN 0.419 nan 8.150 nan 0.000 0.443 312 M N -0.763 118.849 119.600 0.021 0.000 2.086 312 M HA -0.099 4.382 4.480 0.001 0.000 0.261 312 M C 2.109 178.418 176.300 0.014 0.000 1.067 312 M CA 1.637 56.948 55.300 0.019 0.000 1.116 312 M CB -0.533 32.080 32.600 0.021 0.000 1.348 312 M HN 0.381 nan 8.290 nan 0.000 0.407 313 I N 0.090 120.669 120.570 0.015 0.000 2.286 313 I HA -0.285 3.885 4.170 0.001 0.000 0.248 313 I C 1.790 177.913 176.117 0.010 0.000 1.115 313 I CA 1.014 62.321 61.300 0.012 0.000 1.392 313 I CB -0.607 37.404 38.000 0.017 0.000 1.065 313 I HN 0.261 nan 8.210 nan 0.000 0.418 314 D N 0.598 121.004 120.400 0.011 0.000 2.178 314 D HA -0.210 4.431 4.640 0.001 0.000 0.201 314 D C 1.948 178.253 176.300 0.007 0.000 0.980 314 D CA 1.183 55.189 54.000 0.009 0.000 0.842 314 D CB -0.124 40.683 40.800 0.011 0.000 0.948 314 D HN 0.230 nan 8.370 nan 0.000 0.472 315 E N -0.450 119.756 120.200 0.008 0.000 2.502 315 E HA 0.129 4.480 4.350 0.001 0.000 0.194 315 E C 0.982 177.584 176.600 0.004 0.000 1.062 315 E CA 0.547 56.951 56.400 0.007 0.000 0.867 315 E CB -0.121 29.585 29.700 0.010 0.000 0.888 315 E HN 0.239 nan 8.360 nan 0.000 0.510 316 G N -0.296 108.505 108.800 0.001 0.000 2.132 316 G HA2 -0.229 3.731 3.960 0.001 0.000 0.234 316 G HA3 -0.229 3.731 3.960 0.001 0.000 0.234 316 G C 0.082 174.978 174.900 -0.007 0.000 0.989 316 G CA 0.243 45.339 45.100 -0.005 0.000 0.676 316 G HN 0.178 nan 8.290 nan 0.000 0.522 317 V N 0.248 120.161 119.914 -0.001 0.000 2.732 317 V HA 0.471 4.592 4.120 0.001 0.000 0.297 317 V C 1.343 177.434 176.094 -0.004 0.000 1.060 317 V CA -0.233 62.068 62.300 0.001 0.000 1.038 317 V CB 1.616 33.445 31.823 0.009 0.000 1.003 317 V HN 0.631 nan 8.190 nan 0.000 0.481 318 C N 6.337 125.633 119.300 -0.007 0.000 2.349 318 C HA 0.601 5.062 4.460 0.001 0.000 0.348 318 C C 0.062 175.056 174.990 0.006 0.000 1.223 318 C CA -0.374 58.638 59.018 -0.011 0.000 1.746 318 C CB -0.831 26.894 27.740 -0.025 0.000 2.360 318 C HN 0.675 nan 8.230 nan 0.000 0.533 319 V N 6.430 126.352 119.914 0.013 0.000 2.532 319 V HA 0.678 4.798 4.120 0.001 0.000 0.295 319 V C 0.353 176.463 176.094 0.027 0.000 1.041 319 V CA 0.058 62.369 62.300 0.018 0.000 0.926 319 V CB 1.808 33.642 31.823 0.019 0.000 0.992 319 V HN 0.962 nan 8.190 nan 0.000 0.457 320 S N 3.479 119.188 115.700 0.015 0.000 2.704 320 S HA 0.896 5.366 4.470 0.001 0.000 0.296 320 S C -1.288 173.305 174.600 -0.011 0.000 1.138 320 S CA -0.599 57.610 58.200 0.016 0.000 0.875 320 S CB 1.498 64.711 63.200 0.021 0.000 1.151 320 S HN 0.522 nan 8.310 nan 0.000 0.500 321 L N 0.918 122.129 121.223 -0.019 0.000 2.376 321 L HA 0.962 5.303 4.340 0.001 0.000 0.258 321 L C -0.568 176.275 176.870 -0.045 0.000 1.013 321 L CA -0.809 54.005 54.840 -0.043 0.000 0.822 321 L CB 2.096 44.125 42.059 -0.049 0.000 1.388 321 L HN 0.847 nan 8.230 nan 0.000 0.413 322 A N -0.528 122.252 122.820 -0.067 0.000 2.586 322 A HA 0.562 4.883 4.320 0.001 0.000 0.290 322 A C 0.141 177.693 177.584 -0.053 0.000 1.086 322 A CA 0.223 52.231 52.037 -0.047 0.000 0.665 322 A CB 1.277 20.256 19.000 -0.036 0.000 1.279 322 A HN 0.793 nan 8.150 nan 0.000 0.423 323 T N -2.406 112.146 114.554 -0.003 0.000 3.014 323 T HA 0.140 4.490 4.350 0.001 0.000 0.263 323 T C 0.610 175.335 174.700 0.042 0.000 1.078 323 T CA 1.496 63.609 62.100 0.023 0.000 1.135 323 T CB -0.278 68.626 68.868 0.059 0.000 0.895 323 T HN 1.456 nan 8.240 nan 0.000 0.480 324 D N 0.102 120.534 120.400 0.053 0.000 2.837 324 D HA -0.208 4.433 4.640 0.001 0.000 0.230 324 D C -0.527 175.901 176.300 0.213 0.000 1.152 324 D CA 0.117 54.181 54.000 0.107 0.000 0.736 324 D CB -2.322 38.407 40.800 -0.118 0.000 1.084 324 D HN 0.531 nan 8.370 nan 0.000 0.429 325 F N 1.670 121.671 119.950 0.084 0.000 2.514 325 F HA 0.219 4.746 4.527 0.001 0.000 0.399 325 F C 0.503 176.358 175.800 0.092 0.000 1.011 325 F CA 0.561 58.587 58.000 0.044 0.000 1.109 325 F CB -0.316 38.718 39.000 0.055 0.000 0.980 325 F HN 0.316 nan 8.300 nan 0.000 0.538 326 N N 5.980 124.313 118.700 -0.611 0.000 2.636 326 N HA 0.379 5.119 4.740 0.001 0.000 0.261 326 N C -2.826 172.168 175.510 -0.860 0.000 1.195 326 N CA -1.510 51.101 53.050 -0.732 0.000 0.902 326 N CB 1.675 39.968 38.487 -0.323 0.000 1.627 326 N HN 0.101 nan 8.380 nan 0.000 0.491 327 P HA -0.029 nan 4.420 nan 0.000 0.222 327 P C 0.864 177.907 177.300 -0.429 0.000 1.147 327 P CA 1.448 64.046 63.100 -0.837 0.000 0.790 327 P CB 0.041 31.107 31.700 -1.057 0.000 0.780 328 G N 0.255 108.849 108.800 -0.343 0.000 2.510 328 G HA2 -0.072 3.888 3.960 0.001 0.000 0.212 328 G HA3 -0.072 3.888 3.960 0.001 0.000 0.212 328 G C 1.359 176.283 174.900 0.040 0.000 1.151 328 G CA 0.868 45.902 45.100 -0.110 0.000 0.817 328 G HN 0.460 nan 8.290 nan 0.000 0.534 329 S N -2.161 113.504 115.700 -0.059 0.000 2.787 329 S HA 0.447 4.918 4.470 0.001 0.000 0.255 329 S C 0.400 174.922 174.600 -0.130 0.000 1.051 329 S CA 0.511 58.730 58.200 0.032 0.000 1.124 329 S CB 0.707 63.863 63.200 -0.074 0.000 1.104 329 S HN 0.230 nan 8.310 nan 0.000 0.623 330 S N 2.961 118.424 115.700 -0.396 0.000 2.835 330 S HA 0.313 4.783 4.470 0.001 0.000 0.140 330 S C -3.199 171.200 174.600 -0.335 0.000 1.131 330 S CA -0.574 57.397 58.200 -0.381 0.000 1.110 330 S CB 0.923 64.066 63.200 -0.095 0.000 1.683 330 S HN 0.212 nan 8.310 nan 0.000 0.473 331 P HA 0.251 nan 4.420 nan 0.000 0.231 331 P C -0.444 176.911 177.300 0.092 0.000 1.811 331 P CA 0.164 63.156 63.100 -0.179 0.000 1.051 331 P CB -0.026 31.519 31.700 -0.257 0.000 1.951 332 T N 0.559 115.250 114.554 0.228 0.000 2.993 332 T HA 0.280 4.630 4.350 0.001 0.000 0.312 332 T C 0.460 175.124 174.700 -0.060 0.000 1.115 332 T CA -0.333 61.810 62.100 0.073 0.000 1.027 332 T CB 1.445 70.318 68.868 0.008 0.000 1.116 332 T HN -0.087 nan 8.240 nan 0.000 0.464 333 E N 2.356 122.360 120.200 -0.327 0.000 2.452 333 E HA 0.170 4.521 4.350 0.001 0.000 0.197 333 E C 0.668 177.007 176.600 -0.435 0.000 1.022 333 E CA 0.012 56.129 56.400 -0.471 0.000 0.890 333 E CB 0.142 29.546 29.700 -0.494 0.000 0.918 333 E HN 0.617 nan 8.360 nan 0.000 0.496 334 N N 1.443 119.800 118.700 -0.571 0.000 2.605 334 N HA -0.031 4.709 4.740 0.001 0.000 0.282 334 N C 0.766 176.092 175.510 -0.306 0.000 1.206 334 N CA -0.234 52.361 53.050 -0.758 0.000 1.074 334 N CB 0.125 38.170 38.487 -0.736 0.000 1.434 334 N HN 0.056 nan 8.380 nan 0.000 0.506 335 I N 2.953 123.419 120.570 -0.173 0.000 2.567 335 I HA -0.268 3.903 4.170 0.001 0.000 0.257 335 I C 1.899 177.987 176.117 -0.047 0.000 1.184 335 I CA 1.580 62.843 61.300 -0.062 0.000 1.451 335 I CB 0.014 38.018 38.000 0.007 0.000 1.089 335 I HN 0.618 nan 8.210 nan 0.000 0.441 336 Q N -0.640 119.163 119.800 0.005 0.000 2.119 336 Q HA -0.184 4.157 4.340 0.001 0.000 0.201 336 Q C 2.142 178.132 176.000 -0.016 0.000 0.972 336 Q CA 1.538 57.361 55.803 0.034 0.000 0.847 336 Q CB -0.322 28.542 28.738 0.209 0.000 0.903 336 Q HN 0.483 nan 8.270 nan 0.000 0.433 337 L N 0.635 121.834 121.223 -0.040 0.000 2.093 337 L HA -0.151 4.189 4.340 0.001 0.000 0.208 337 L C 1.849 178.675 176.870 -0.074 0.000 1.085 337 L CA 1.411 56.227 54.840 -0.040 0.000 0.755 337 L CB -0.338 41.686 42.059 -0.059 0.000 0.904 337 L HN 0.183 nan 8.230 nan 0.000 0.435 338 I N -0.629 119.894 120.570 -0.078 0.000 2.286 338 I HA -0.298 3.873 4.170 0.001 0.000 0.248 338 I C 2.505 178.565 176.117 -0.095 0.000 1.115 338 I CA 1.565 62.822 61.300 -0.073 0.000 1.392 338 I CB -1.055 36.907 38.000 -0.062 0.000 1.065 338 I HN 0.361 nan 8.210 nan 0.000 0.418 339 M N -0.103 119.422 119.600 -0.125 0.000 2.159 339 M HA -0.169 4.311 4.480 0.001 0.000 0.263 339 M C 2.422 178.635 176.300 -0.145 0.000 1.063 339 M CA 1.536 56.729 55.300 -0.179 0.000 1.110 339 M CB -0.363 32.064 32.600 -0.289 0.000 1.374 339 M HN 0.095 nan 8.290 nan 0.000 0.411 340 S N 0.780 116.415 115.700 -0.109 0.000 2.355 340 S HA -0.044 4.427 4.470 0.001 0.000 0.222 340 S C 1.822 176.334 174.600 -0.148 0.000 1.031 340 S CA 1.126 59.261 58.200 -0.108 0.000 0.993 340 S CB -0.384 62.784 63.200 -0.054 0.000 0.859 340 S HN 0.390 nan 8.310 nan 0.000 0.453 341 I N 1.871 122.360 120.570 -0.136 0.000 2.264 341 I HA -0.229 3.942 4.170 0.001 0.000 0.248 341 I C 2.666 178.705 176.117 -0.131 0.000 1.111 341 I CA 1.006 62.233 61.300 -0.121 0.000 1.382 341 I CB -0.530 37.414 38.000 -0.094 0.000 1.060 341 I HN 0.257 nan 8.210 nan 0.000 0.418 342 A N 0.912 123.665 122.820 -0.112 0.000 1.877 342 A HA -0.179 4.141 4.320 0.001 0.000 0.216 342 A C 2.567 180.076 177.584 -0.126 0.000 1.186 342 A CA 2.005 53.981 52.037 -0.103 0.000 0.620 342 A CB -0.797 18.150 19.000 -0.089 0.000 0.822 342 A HN 0.433 nan 8.150 nan 0.000 0.443 343 A N -0.259 122.481 122.820 -0.134 0.000 1.855 343 A HA 0.019 4.339 4.320 0.001 0.000 0.215 343 A C 2.148 179.615 177.584 -0.196 0.000 1.191 343 A CA 1.483 53.441 52.037 -0.131 0.000 0.613 343 A CB -0.639 18.297 19.000 -0.107 0.000 0.829 343 A HN 0.470 nan 8.150 nan 0.000 0.442 344 L N -1.935 119.123 121.223 -0.275 0.000 2.156 344 L HA -0.072 4.268 4.340 0.001 0.000 0.208 344 L C 2.232 178.668 176.870 -0.722 0.000 1.095 344 L CA 1.042 55.604 54.840 -0.464 0.000 0.770 344 L CB -0.435 41.310 42.059 -0.522 0.000 0.914 344 L HN 0.476 nan 8.230 nan 0.000 0.439 345 H N -1.646 117.198 119.070 -0.377 0.000 3.205 345 H HA 0.258 4.814 4.556 0.001 0.000 0.252 345 H C 1.936 176.974 175.328 -0.483 0.000 1.015 345 H CA 0.213 55.912 56.048 -0.581 0.000 1.192 345 H CB 0.951 29.990 29.762 -1.205 0.000 1.474 345 H HN 0.222 nan 8.280 nan 0.000 0.484 346 L N 0.808 121.894 121.223 -0.228 0.000 2.567 346 L HA 0.036 4.376 4.340 0.001 0.000 0.225 346 L C 0.287 177.115 176.870 -0.071 0.000 1.119 346 L CA 0.179 54.962 54.840 -0.095 0.000 0.871 346 L CB 0.226 42.259 42.059 -0.045 0.000 1.036 346 L HN -0.051 nan 8.230 nan 0.000 0.459 347 K N 0.103 120.437 120.400 -0.110 0.000 3.096 347 K HA -0.175 4.146 4.320 0.001 0.000 0.266 347 K C -0.300 176.272 176.600 -0.047 0.000 1.043 347 K CA 1.117 57.355 56.287 -0.082 0.000 0.758 347 K CB -2.130 30.336 32.500 -0.057 0.000 1.260 347 K HN 0.363 nan 8.250 nan 0.000 0.481 348 M N 0.338 119.909 119.600 -0.047 0.000 2.423 348 M HA 0.172 4.653 4.480 0.001 0.000 0.335 348 M C 1.151 177.447 176.300 -0.007 0.000 1.177 348 M CA -0.485 54.805 55.300 -0.017 0.000 1.038 348 M CB 1.591 34.182 32.600 -0.015 0.000 1.641 348 M HN 0.244 nan 8.290 nan 0.000 0.455 349 T N -0.683 113.887 114.554 0.027 0.000 2.828 349 T HA 0.434 4.785 4.350 0.001 0.000 0.290 349 T C 1.129 175.882 174.700 0.089 0.000 1.019 349 T CA -0.356 61.776 62.100 0.053 0.000 1.031 349 T CB 1.099 70.013 68.868 0.077 0.000 1.001 349 T HN 0.716 nan 8.240 nan 0.000 0.531 350 A N 0.812 123.716 122.820 0.141 0.000 1.940 350 A HA -0.091 4.230 4.320 0.001 0.000 0.219 350 A C 2.179 179.991 177.584 0.379 0.000 1.176 350 A CA 1.808 54.001 52.037 0.260 0.000 0.631 350 A CB -1.055 18.144 19.000 0.332 0.000 0.814 350 A HN 0.923 nan 8.150 nan 0.000 0.446 351 E N 0.278 120.659 120.200 0.302 0.000 2.051 351 E HA -0.170 4.181 4.350 0.001 0.000 0.192 351 E C 1.943 178.641 176.600 0.162 0.000 0.991 351 E CA 1.667 58.171 56.400 0.174 0.000 0.799 351 E CB -0.316 29.464 29.700 0.133 0.000 0.748 351 E HN 0.781 nan 8.360 nan 0.000 0.449 352 E N 0.247 120.548 120.200 0.170 0.000 2.110 352 E HA -0.148 4.203 4.350 0.001 0.000 0.193 352 E C 2.160 178.833 176.600 0.123 0.000 0.988 352 E CA 0.870 57.371 56.400 0.168 0.000 0.804 352 E CB -0.193 29.569 29.700 0.104 0.000 0.745 352 E HN 0.264 nan 8.360 nan 0.000 0.458 353 I N -0.089 120.514 120.570 0.056 0.000 2.163 353 I HA -0.262 3.908 4.170 0.001 0.000 0.243 353 I C 2.038 178.094 176.117 -0.102 0.000 1.085 353 I CA 1.319 62.582 61.300 -0.061 0.000 1.347 353 I CB -0.304 37.601 38.000 -0.158 0.000 1.044 353 I HN 0.222 nan 8.210 nan 0.000 0.408 354 W N 0.296 121.571 121.300 -0.042 0.000 2.358 354 W HA -0.183 4.478 4.660 0.001 0.000 0.303 354 W C 2.771 179.248 176.519 -0.070 0.000 1.208 354 W CA 1.069 58.357 57.345 -0.096 0.000 1.274 354 W CB -0.448 28.884 29.460 -0.213 0.000 1.138 354 W HN 0.176 nan 8.180 nan 0.000 0.515 355 H N -0.727 118.473 119.070 0.218 0.000 2.423 355 H HA -0.003 4.553 4.556 0.001 0.000 0.297 355 H C 2.151 177.543 175.328 0.107 0.000 1.075 355 H CA 1.557 57.693 56.048 0.146 0.000 1.342 355 H CB -0.875 28.947 29.762 0.099 0.000 1.395 355 H HN 0.180 nan 8.280 nan 0.000 0.530 356 A N 0.869 123.798 122.820 0.182 0.000 1.902 356 A HA -0.107 4.213 4.320 0.001 0.000 0.217 356 A C 2.391 180.017 177.584 0.070 0.000 1.181 356 A CA 1.866 53.960 52.037 0.096 0.000 0.623 356 A CB -0.682 18.341 19.000 0.037 0.000 0.818 356 A HN 0.299 nan 8.150 nan 0.000 0.443 357 V N -2.392 117.548 119.914 0.044 0.000 3.633 357 V HA 0.148 4.268 4.120 0.001 0.000 0.283 357 V C 1.160 177.322 176.094 0.112 0.000 1.305 357 V CA 1.437 63.759 62.300 0.036 0.000 1.153 357 V CB -1.205 30.583 31.823 -0.059 0.000 0.950 357 V HN 0.675 nan 8.190 nan 0.000 0.432 358 T N -3.027 111.626 114.554 0.164 0.000 3.364 358 T HA 0.190 4.540 4.350 0.001 0.000 0.179 358 T C 1.488 176.298 174.700 0.183 0.000 0.939 358 T CA 0.919 63.133 62.100 0.189 0.000 1.094 358 T CB 0.121 69.135 68.868 0.244 0.000 1.532 358 T HN 0.028 nan 8.240 nan 0.000 0.346 359 V N 3.595 123.647 119.914 0.230 0.000 2.233 359 V HA -0.183 3.937 4.120 0.001 0.000 0.247 359 V C 2.717 178.986 176.094 0.291 0.000 1.050 359 V CA 2.428 64.886 62.300 0.263 0.000 1.010 359 V CB -1.160 30.828 31.823 0.275 0.000 0.637 359 V HN 0.510 nan 8.190 nan 0.000 0.444 360 N N 0.434 119.265 118.700 0.218 0.000 2.188 360 N HA -0.081 4.660 4.740 0.001 0.000 0.184 360 N C 1.815 177.418 175.510 0.154 0.000 1.018 360 N CA 1.580 54.736 53.050 0.177 0.000 0.858 360 N CB -0.596 37.956 38.487 0.108 0.000 0.989 360 N HN 0.508 nan 8.380 nan 0.000 0.426 361 A N 0.811 123.703 122.820 0.120 0.000 1.930 361 A HA 0.060 4.380 4.320 0.001 0.000 0.217 361 A C 2.336 179.960 177.584 0.066 0.000 1.175 361 A CA 1.782 53.864 52.037 0.075 0.000 0.627 361 A CB -0.803 18.235 19.000 0.064 0.000 0.815 361 A HN 0.301 nan 8.150 nan 0.000 0.443 362 A N -1.260 121.608 122.820 0.081 0.000 1.858 362 A HA -0.110 4.210 4.320 0.001 0.000 0.216 362 A C 2.090 179.654 177.584 -0.033 0.000 1.190 362 A CA 1.591 53.633 52.037 0.007 0.000 0.617 362 A CB -0.893 18.089 19.000 -0.029 0.000 0.827 362 A HN 0.577 nan 8.150 nan 0.000 0.443 363 Y N -0.108 120.216 120.300 0.041 0.000 2.293 363 Y HA -0.055 4.496 4.550 0.001 0.000 0.291 363 Y C 2.778 178.693 175.900 0.026 0.000 1.137 363 Y CA 0.837 58.962 58.100 0.042 0.000 1.202 363 Y CB -0.281 38.201 38.460 0.038 0.000 0.990 363 Y HN 0.341 nan 8.280 nan 0.000 0.537 364 A N 0.389 123.288 122.820 0.132 0.000 2.125 364 A HA -0.100 4.220 4.320 0.001 0.000 0.219 364 A C 1.619 179.139 177.584 -0.108 0.000 1.156 364 A CA 1.632 53.683 52.037 0.023 0.000 0.671 364 A CB -1.136 17.864 19.000 0.000 0.000 0.794 364 A HN 0.636 nan 8.150 nan 0.000 0.459 365 I N -6.428 114.093 120.570 -0.080 0.000 3.817 365 I HA 0.552 4.723 4.170 0.001 0.000 0.325 365 I C 0.843 177.035 176.117 0.125 0.000 1.550 365 I CA 0.195 61.386 61.300 -0.183 0.000 1.100 365 I CB 0.010 37.922 38.000 -0.147 0.000 1.216 365 I HN 0.234 nan 8.210 nan 0.000 0.481 366 G N 2.348 111.265 108.800 0.195 0.000 2.153 366 G HA2 -0.254 3.707 3.960 0.001 0.000 0.252 366 G HA3 -0.254 3.707 3.960 0.001 0.000 0.252 366 G C 0.524 175.448 174.900 0.039 0.000 0.994 366 G CA 0.277 45.503 45.100 0.210 0.000 0.698 366 G HN 0.401 nan 8.290 nan 0.000 0.521 367 K N 0.151 120.521 120.400 -0.049 0.000 2.478 367 K HA 0.293 4.613 4.320 0.001 0.000 0.205 367 K C 2.156 178.592 176.600 -0.274 0.000 1.033 367 K CA 0.455 56.679 56.287 -0.105 0.000 1.091 367 K CB 0.358 32.836 32.500 -0.037 0.000 0.844 367 K HN 0.340 nan 8.250 nan 0.000 0.507 368 G N 1.363 109.796 108.800 -0.612 0.000 2.485 368 G HA2 -0.246 3.715 3.960 0.001 0.000 0.221 368 G HA3 -0.246 3.715 3.960 0.001 0.000 0.221 368 G C 1.148 175.647 174.900 -0.669 0.000 1.115 368 G CA 0.607 44.892 45.100 -1.359 0.000 0.751 368 G HN 0.365 nan 8.290 nan 0.000 0.567 369 E N -0.502 119.487 120.200 -0.351 0.000 2.474 369 E HA 0.104 4.454 4.350 0.001 0.000 0.195 369 E C 1.592 178.149 176.600 -0.072 0.000 1.039 369 E CA 0.057 56.380 56.400 -0.128 0.000 0.881 369 E CB 0.334 30.000 29.700 -0.057 0.000 0.970 369 E HN 0.574 nan 8.360 nan 0.000 0.486 370 E N -0.240 119.908 120.200 -0.086 0.000 2.441 370 E HA 0.217 4.567 4.350 0.001 0.000 0.212 370 E C 0.170 176.760 176.600 -0.018 0.000 0.840 370 E CA -0.036 56.343 56.400 -0.036 0.000 1.143 370 E CB 1.175 30.861 29.700 -0.023 0.000 1.153 370 E HN 0.048 nan 8.360 nan 0.000 0.539 371 A N -0.485 122.317 122.820 -0.029 0.000 2.486 371 A HA 0.663 4.984 4.320 0.001 0.000 0.289 371 A C 0.699 178.300 177.584 0.027 0.000 1.176 371 A CA -0.094 51.948 52.037 0.007 0.000 0.757 371 A CB 0.886 19.896 19.000 0.017 0.000 1.337 371 A HN 0.225 nan 8.150 nan 0.000 0.423 372 G N -1.115 107.725 108.800 0.067 0.000 2.184 372 G HA2 -0.182 3.779 3.960 0.001 0.000 0.264 372 G HA3 -0.182 3.779 3.960 0.001 0.000 0.264 372 G C 0.008 174.981 174.900 0.121 0.000 0.975 372 G CA 0.863 46.028 45.100 0.109 0.000 0.642 372 G HN 0.956 nan 8.290 nan 0.000 0.536 373 Q N -1.091 118.763 119.800 0.091 0.000 2.345 373 Q HA 0.640 4.980 4.340 0.001 0.000 0.275 373 Q C -0.727 175.311 176.000 0.064 0.000 1.063 373 Q CA -0.828 55.029 55.803 0.090 0.000 0.819 373 Q CB 2.152 30.945 28.738 0.093 0.000 1.356 373 Q HN 0.208 nan 8.270 nan 0.000 0.418 374 L N 3.534 124.793 121.223 0.061 0.000 2.335 374 L HA 0.501 4.841 4.340 0.001 0.000 0.268 374 L C -0.543 176.351 176.870 0.040 0.000 1.037 374 L CA -0.246 54.617 54.840 0.038 0.000 0.895 374 L CB 0.135 42.212 42.059 0.030 0.000 1.266 374 L HN 0.547 nan 8.230 nan 0.000 0.439 375 K N 1.645 122.067 120.400 0.036 0.000 2.555 375 K HA 0.764 5.084 4.320 0.001 0.000 0.279 375 K C -0.782 175.839 176.600 0.035 0.000 0.986 375 K CA -0.978 55.336 56.287 0.044 0.000 0.880 375 K CB 1.640 34.173 32.500 0.054 0.000 1.474 375 K HN 0.180 nan 8.250 nan 0.000 0.433 376 A N 0.390 123.240 122.820 0.049 0.000 2.580 376 A HA 0.350 4.671 4.320 0.001 0.000 0.244 376 A C 1.324 178.933 177.584 0.041 0.000 1.045 376 A CA 1.507 53.574 52.037 0.050 0.000 0.761 376 A CB -1.430 17.615 19.000 0.075 0.000 0.962 376 A HN 1.550 nan 8.150 nan 0.000 0.512 377 G N 2.157 110.978 108.800 0.034 0.000 2.284 377 G HA2 -0.215 3.745 3.960 0.001 0.000 0.230 377 G HA3 -0.215 3.745 3.960 0.001 0.000 0.230 377 G C 0.537 175.447 174.900 0.017 0.000 1.021 377 G CA 0.226 45.344 45.100 0.029 0.000 0.619 377 G HN 0.858 nan 8.290 nan 0.000 0.510 378 R N 1.309 121.818 120.500 0.015 0.000 2.594 378 R HA 0.495 4.835 4.340 0.001 0.000 0.272 378 R C 0.821 177.121 176.300 -0.001 0.000 1.074 378 R CA 0.264 56.370 56.100 0.009 0.000 1.105 378 R CB 0.766 31.076 30.300 0.016 0.000 1.008 378 R HN 0.395 nan 8.270 nan 0.000 0.472 379 S N 0.854 116.553 115.700 -0.001 0.000 2.552 379 S HA 0.098 4.568 4.470 0.001 0.000 0.289 379 S C 0.305 174.897 174.600 -0.014 0.000 1.304 379 S CA -0.308 57.887 58.200 -0.009 0.000 1.063 379 S CB 0.372 63.570 63.200 -0.004 0.000 0.848 379 S HN 0.581 nan 8.310 nan 0.000 0.499 380 A N 4.786 127.590 122.820 -0.028 0.000 2.981 380 A HA 0.265 4.585 4.320 0.001 0.000 0.280 380 A C -0.567 176.999 177.584 -0.030 0.000 1.797 380 A CA -0.393 51.621 52.037 -0.037 0.000 1.456 380 A CB -0.566 18.401 19.000 -0.054 0.000 1.057 380 A HN 0.763 nan 8.150 nan 0.000 0.602 381 D N 1.822 122.214 120.400 -0.014 0.000 2.425 381 D HA 0.587 5.228 4.640 0.001 0.000 0.240 381 D C -0.312 175.991 176.300 0.004 0.000 1.080 381 D CA 0.020 54.016 54.000 -0.007 0.000 0.836 381 D CB 1.503 42.308 40.800 0.009 0.000 1.125 381 D HN 0.402 nan 8.370 nan 0.000 0.525 382 L N -0.795 120.420 121.223 -0.015 0.000 2.630 382 L HA 0.822 5.163 4.340 0.001 0.000 0.258 382 L C -1.299 175.531 176.870 -0.066 0.000 1.072 382 L CA -1.139 53.697 54.840 -0.006 0.000 0.885 382 L CB 1.364 43.418 42.059 -0.009 0.000 1.502 382 L HN 0.020 nan 8.230 nan 0.000 0.406 383 V N 1.274 121.132 119.914 -0.094 0.000 2.638 383 V HA 0.557 4.678 4.120 0.001 0.000 0.306 383 V C -0.436 175.442 176.094 -0.360 0.000 1.052 383 V CA -0.322 61.773 62.300 -0.341 0.000 0.885 383 V CB 1.864 33.288 31.823 -0.665 0.000 0.999 383 V HN 0.670 nan 8.190 nan 0.000 0.424 384 I N 3.616 123.997 120.570 -0.314 0.000 2.321 384 I HA 0.368 4.538 4.170 0.001 0.000 0.291 384 I C -0.724 175.308 176.117 -0.142 0.000 0.998 384 I CA -0.155 61.085 61.300 -0.101 0.000 1.227 384 I CB 1.148 39.179 38.000 0.053 0.000 1.368 384 I HN 0.576 nan 8.210 nan 0.000 0.466 385 W N 4.421 125.790 121.300 0.115 0.000 2.448 385 W HA 0.387 5.047 4.660 0.001 0.000 0.339 385 W C 0.217 176.781 176.519 0.075 0.000 1.124 385 W CA -0.542 56.884 57.345 0.136 0.000 1.262 385 W CB 0.581 30.131 29.460 0.150 0.000 1.251 385 W HN 0.370 nan 8.180 nan 0.000 0.597 386 Q N 2.094 122.120 119.800 0.376 0.000 3.181 386 Q HA 0.509 4.850 4.340 0.001 0.000 0.293 386 Q C -0.315 175.749 176.000 0.106 0.000 1.406 386 Q CA -0.189 55.718 55.803 0.173 0.000 1.026 386 Q CB 0.009 28.864 28.738 0.195 0.000 1.630 386 Q HN 0.411 nan 8.270 nan 0.000 0.553 387 A N 1.186 124.034 122.820 0.047 0.000 2.594 387 A HA 0.478 4.798 4.320 0.001 0.000 0.296 387 A C -2.465 175.056 177.584 -0.105 0.000 1.061 387 A CA -1.023 50.932 52.037 -0.137 0.000 0.689 387 A CB 1.188 20.157 19.000 -0.052 0.000 1.280 387 A HN 0.136 nan 8.150 nan 0.000 0.406 388 P HA 0.024 nan 4.420 nan 0.000 0.226 388 P C 0.062 177.309 177.300 -0.089 0.000 1.161 388 P CA 1.179 64.205 63.100 -0.123 0.000 0.804 388 P CB 0.043 31.652 31.700 -0.152 0.000 0.829 389 N N -1.512 117.129 118.700 -0.098 0.000 2.647 389 N HA 0.104 4.845 4.740 0.001 0.000 0.266 389 N C 0.738 176.192 175.510 -0.094 0.000 1.373 389 N CA -1.009 51.982 53.050 -0.098 0.000 0.807 389 N CB -0.138 38.245 38.487 -0.172 0.000 1.513 389 N HN -0.159 nan 8.380 nan 0.000 0.505 390 Y N -1.536 118.659 120.300 -0.174 0.000 2.439 390 Y HA 0.235 4.785 4.550 0.001 0.000 0.292 390 Y C 1.528 177.503 175.900 0.125 0.000 1.130 390 Y CA 0.541 58.514 58.100 -0.213 0.000 1.254 390 Y CB -0.283 37.790 38.460 -0.645 0.000 1.000 390 Y HN 0.404 nan 8.280 nan 0.000 0.554 391 M N -0.872 118.408 119.600 -0.533 0.000 2.319 391 M HA -0.108 4.372 4.480 0.001 0.000 0.265 391 M C 1.713 177.993 176.300 -0.034 0.000 1.068 391 M CA 1.492 56.622 55.300 -0.282 0.000 1.118 391 M CB -0.451 31.888 32.600 -0.435 0.000 1.395 391 M HN 0.393 nan 8.290 nan 0.000 0.435 392 Y N 1.527 121.751 120.300 -0.126 0.000 2.224 392 Y HA -0.245 4.306 4.550 0.001 0.000 0.289 392 Y C 2.058 177.953 175.900 -0.009 0.000 1.146 392 Y CA 1.342 59.431 58.100 -0.018 0.000 1.182 392 Y CB 0.058 38.462 38.460 -0.092 0.000 0.983 392 Y HN 0.053 nan 8.280 nan 0.000 0.524 393 I N 1.513 122.079 120.570 -0.006 0.000 2.076 393 I HA -0.251 3.920 4.170 0.001 0.000 0.237 393 I C -0.282 175.815 176.117 -0.033 0.000 1.059 393 I CA 1.767 62.988 61.300 -0.132 0.000 1.317 393 I CB -2.826 35.107 38.000 -0.112 0.000 1.037 393 I HN 0.173 nan 8.210 nan 0.000 0.398 394 P HA -0.214 nan 4.420 nan 0.000 0.221 394 P C 1.881 179.186 177.300 0.008 0.000 1.150 394 P CA 1.481 64.559 63.100 -0.037 0.000 0.800 394 P CB -0.315 31.339 31.700 -0.077 0.000 0.787 395 Y N 1.467 121.692 120.300 -0.124 0.000 2.097 395 Y HA -0.164 4.387 4.550 0.001 0.000 0.282 395 Y C 1.198 177.046 175.900 -0.087 0.000 1.152 395 Y CA 1.425 59.434 58.100 -0.151 0.000 1.136 395 Y CB -1.349 36.968 38.460 -0.238 0.000 0.975 395 Y HN -0.004 nan 8.280 nan 0.000 0.498 396 H N 0.841 119.589 119.070 -0.537 0.000 2.761 396 H HA 0.237 4.793 4.556 0.001 0.000 0.284 396 H C -0.798 174.546 175.328 0.027 0.000 1.105 396 H CA -0.571 55.215 56.048 -0.436 0.000 1.352 396 H CB -0.130 29.392 29.762 -0.401 0.000 1.423 396 H HN 0.352 nan 8.280 nan 0.000 0.464 397 Y N 2.199 122.478 120.300 -0.036 0.000 2.519 397 Y HA 0.506 5.056 4.550 0.001 0.000 0.324 397 Y C 1.182 177.105 175.900 0.038 0.000 1.214 397 Y CA -0.622 57.481 58.100 0.004 0.000 1.260 397 Y CB 0.995 39.392 38.460 -0.105 0.000 1.311 397 Y HN 0.719 nan 8.280 nan 0.000 0.505 398 G N -0.035 108.776 108.800 0.018 0.000 2.189 398 G HA2 -0.250 3.711 3.960 0.001 0.000 0.267 398 G HA3 -0.250 3.711 3.960 0.001 0.000 0.267 398 G C -0.080 174.799 174.900 -0.035 0.000 0.975 398 G CA 0.588 45.649 45.100 -0.065 0.000 0.644 398 G HN 1.475 nan 8.290 nan 0.000 0.537 399 V N -3.566 116.322 119.914 -0.043 0.000 3.221 399 V HA 0.906 5.027 4.120 0.001 0.000 0.305 399 V C -0.013 176.080 176.094 -0.002 0.000 1.263 399 V CA -0.867 61.400 62.300 -0.055 0.000 1.048 399 V CB 1.899 33.617 31.823 -0.175 0.000 1.203 399 V HN 0.311 nan 8.190 nan 0.000 0.476 400 N N -0.344 118.301 118.700 -0.093 0.000 2.483 400 N HA 0.404 5.144 4.740 0.001 0.000 0.267 400 N C 0.067 175.524 175.510 -0.089 0.000 0.998 400 N CA -0.415 52.597 53.050 -0.064 0.000 0.918 400 N CB 0.662 38.935 38.487 -0.356 0.000 1.215 400 N HN 0.791 nan 8.380 nan 0.000 0.500 401 H N 1.485 120.727 119.070 0.287 0.000 2.539 401 H HA 0.145 4.702 4.556 0.001 0.000 0.267 401 H C 0.189 175.769 175.328 0.419 0.000 0.982 401 H CA 0.065 56.330 56.048 0.362 0.000 1.146 401 H CB 0.547 30.593 29.762 0.473 0.000 1.382 401 H HN 0.215 nan 8.280 nan 0.000 0.577 402 V N 2.012 122.093 119.914 0.279 0.000 2.599 402 V HA -0.103 4.018 4.120 0.001 0.000 0.300 402 V C 1.726 177.822 176.094 0.003 0.000 1.034 402 V CA 0.576 62.846 62.300 -0.051 0.000 1.115 402 V CB 1.250 32.928 31.823 -0.241 0.000 0.934 402 V HN 0.545 nan 8.190 nan 0.000 0.485 403 H N 4.052 123.047 119.070 -0.126 0.000 2.368 403 H HA 0.286 4.843 4.556 0.001 0.000 0.311 403 H C 0.346 175.598 175.328 -0.127 0.000 1.042 403 H CA 0.356 56.356 56.048 -0.081 0.000 1.377 403 H CB 1.015 30.753 29.762 -0.040 0.000 1.473 403 H HN 0.685 nan 8.280 nan 0.000 0.593 404 Q N 0.909 120.539 119.800 -0.282 0.000 2.377 404 Q HA 0.436 4.777 4.340 0.001 0.000 0.279 404 Q C -1.621 174.226 176.000 -0.255 0.000 1.049 404 Q CA -0.744 54.877 55.803 -0.303 0.000 0.825 404 Q CB 3.821 32.385 28.738 -0.290 0.000 1.401 404 Q HN 0.036 nan 8.270 nan 0.000 0.404 405 V N 2.372 122.157 119.914 -0.216 0.000 2.495 405 V HA 0.545 4.666 4.120 0.001 0.000 0.298 405 V C -0.531 175.486 176.094 -0.130 0.000 1.031 405 V CA -0.627 61.562 62.300 -0.186 0.000 0.871 405 V CB 1.728 33.452 31.823 -0.164 0.000 0.988 405 V HN 0.772 nan 8.190 nan 0.000 0.432 406 M N 4.716 124.253 119.600 -0.105 0.000 2.311 406 M HA 0.708 5.188 4.480 0.001 0.000 0.325 406 M C -1.049 175.216 176.300 -0.058 0.000 1.061 406 M CA -0.685 54.568 55.300 -0.078 0.000 0.957 406 M CB 1.583 34.141 32.600 -0.071 0.000 1.646 406 M HN 0.587 nan 8.290 nan 0.000 0.434 407 K N 3.662 124.031 120.400 -0.053 0.000 2.426 407 K HA 0.432 4.753 4.320 0.001 0.000 0.254 407 K C -0.682 175.893 176.600 -0.042 0.000 0.936 407 K CA -0.123 56.139 56.287 -0.041 0.000 0.801 407 K CB 0.951 33.428 32.500 -0.039 0.000 1.139 407 K HN 0.811 nan 8.250 nan 0.000 0.424 408 N N 3.121 121.799 118.700 -0.037 0.000 2.735 408 N HA -0.210 4.531 4.740 0.001 0.000 0.248 408 N C 0.423 175.905 175.510 -0.047 0.000 1.083 408 N CA 1.595 54.621 53.050 -0.040 0.000 0.703 408 N CB -1.483 36.980 38.487 -0.041 0.000 1.005 408 N HN 1.091 nan 8.380 nan 0.000 0.550 409 G N -2.572 106.199 108.800 -0.049 0.000 2.159 409 G HA2 -0.306 3.654 3.960 0.001 0.000 0.256 409 G HA3 -0.306 3.654 3.960 0.001 0.000 0.256 409 G C 0.066 174.935 174.900 -0.052 0.000 0.977 409 G CA 0.788 45.855 45.100 -0.054 0.000 0.652 409 G HN 0.590 nan 8.290 nan 0.000 0.531 410 T N 1.460 115.983 114.554 -0.052 0.000 2.861 410 T HA 0.583 4.933 4.350 0.001 0.000 0.287 410 T C 0.333 174.998 174.700 -0.059 0.000 1.003 410 T CA -0.674 61.395 62.100 -0.052 0.000 0.977 410 T CB 1.705 70.545 68.868 -0.048 0.000 0.996 410 T HN 0.179 nan 8.240 nan 0.000 0.448 411 I N 4.433 124.966 120.570 -0.063 0.000 2.587 411 I HA 0.030 4.201 4.170 0.001 0.000 0.284 411 I C 1.559 177.630 176.117 -0.077 0.000 1.134 411 I CA 0.303 61.556 61.300 -0.079 0.000 1.410 411 I CB 0.504 38.453 38.000 -0.085 0.000 1.392 411 I HN 0.577 nan 8.210 nan 0.000 0.545 412 V N 5.041 124.905 119.914 -0.083 0.000 3.605 412 V HA 0.297 4.418 4.120 0.001 0.000 0.284 412 V C 0.362 176.403 176.094 -0.089 0.000 1.386 412 V CA 0.061 62.316 62.300 -0.075 0.000 1.053 412 V CB 0.580 32.366 31.823 -0.063 0.000 0.857 412 V HN 0.385 nan 8.190 nan 0.000 0.436 413 V N 2.193 122.038 119.914 -0.115 0.000 2.612 413 V HA 0.551 4.672 4.120 0.001 0.000 0.301 413 V C -1.230 174.761 176.094 -0.171 0.000 1.059 413 V CA -0.418 61.800 62.300 -0.137 0.000 0.886 413 V CB 1.715 33.447 31.823 -0.152 0.000 1.007 413 V HN 0.445 nan 8.190 nan 0.000 0.426 414 N N 4.754 123.353 118.700 -0.167 0.000 2.531 414 N HA 0.504 5.245 4.740 0.001 0.000 0.268 414 N C -0.540 174.851 175.510 -0.199 0.000 1.023 414 N CA -0.428 52.496 53.050 -0.210 0.000 0.896 414 N CB 1.838 40.228 38.487 -0.161 0.000 1.233 414 N HN 0.658 nan 8.380 nan 0.000 0.512 415 R N 0.000 120.349 120.500 -0.251 0.000 2.786 415 R HA 0.000 4.340 4.340 0.001 0.000 0.208 415 R CA 0.000 56.004 56.100 -0.161 0.000 0.921 415 R CB 0.000 30.220 30.300 -0.134 0.000 0.687 415 R HN 0.000 nan 8.270 nan 0.000 0.535