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 6ccp_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVKLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.655 176.870 -0.358 0.000 1.165 4 L CA 0.000 54.688 54.840 -0.254 0.000 0.813 4 L CB 0.000 41.846 42.059 -0.354 0.000 0.961 5 V N 0.573 120.238 119.914 -0.415 0.000 2.540 5 V HA 0.527 4.648 4.120 0.002 0.000 0.302 5 V C -0.863 174.907 176.094 -0.540 0.000 1.035 5 V CA -0.549 61.528 62.300 -0.371 0.000 0.873 5 V CB 1.979 33.683 31.823 -0.198 0.000 0.992 5 V HN 0.633 nan 8.190 nan 0.000 0.428 6 H N 3.481 122.329 119.070 -0.369 0.000 2.792 6 H HA 0.458 5.015 4.556 0.002 0.000 0.298 6 H C -0.719 174.214 175.328 -0.657 0.000 1.042 6 H CA -0.380 55.198 56.048 -0.783 0.000 1.300 6 H CB 1.863 30.760 29.762 -1.442 0.000 1.431 6 H HN 0.384 nan 8.280 nan 0.000 0.496 7 V N 2.303 122.073 119.914 -0.239 0.000 2.465 7 V HA 0.362 4.483 4.120 0.002 0.000 0.279 7 V C 0.895 177.020 176.094 0.052 0.000 1.045 7 V CA -0.901 61.325 62.300 -0.122 0.000 0.938 7 V CB 1.252 33.043 31.823 -0.053 0.000 0.986 7 V HN 0.848 nan 8.190 nan 0.000 0.467 8 A N 3.788 126.562 122.820 -0.075 0.000 2.477 8 A HA 0.524 4.845 4.320 0.002 0.000 0.246 8 A C 0.431 178.077 177.584 0.104 0.000 1.078 8 A CA 0.110 52.172 52.037 0.042 0.000 0.770 8 A CB 0.445 19.397 19.000 -0.080 0.000 1.011 8 A HN 0.879 nan 8.150 nan 0.000 0.494 9 S N 2.566 118.343 115.700 0.128 0.000 2.774 9 S HA 0.432 4.903 4.470 0.002 0.000 0.297 9 S C -0.450 174.229 174.600 0.131 0.000 1.143 9 S CA -0.588 57.681 58.200 0.116 0.000 1.090 9 S CB 0.361 63.631 63.200 0.115 0.000 1.019 9 S HN 0.751 nan 8.310 nan 0.000 0.482 10 V N 4.664 124.664 119.914 0.143 0.000 2.720 10 V HA 0.024 4.145 4.120 0.002 0.000 0.307 10 V C 0.621 176.847 176.094 0.220 0.000 1.071 10 V CA 0.194 62.616 62.300 0.203 0.000 1.199 10 V CB 0.002 31.945 31.823 0.200 0.000 0.900 10 V HN 0.830 nan 8.190 nan 0.000 0.494 11 E N 3.528 123.920 120.200 0.320 0.000 2.480 11 E HA 0.016 4.367 4.350 0.002 0.000 0.258 11 E C 0.303 177.000 176.600 0.162 0.000 0.984 11 E CA 0.222 56.795 56.400 0.287 0.000 0.930 11 E CB 0.151 30.133 29.700 0.469 0.000 0.936 11 E HN 0.437 nan 8.360 nan 0.000 0.466 12 K N 2.242 122.707 120.400 0.109 0.000 2.437 12 K HA -0.031 4.290 4.320 0.002 0.000 0.277 12 K C 0.746 177.337 176.600 -0.015 0.000 1.073 12 K CA 0.981 57.299 56.287 0.052 0.000 1.105 12 K CB -0.174 32.354 32.500 0.047 0.000 0.881 12 K HN 0.810 nan 8.250 nan 0.000 0.475 13 G N 3.613 112.408 108.800 -0.007 0.000 2.179 13 G HA2 -0.257 3.704 3.960 0.002 0.000 0.257 13 G HA3 -0.257 3.704 3.960 0.002 0.000 0.257 13 G C -0.211 174.617 174.900 -0.119 0.000 1.010 13 G CA 0.039 45.111 45.100 -0.047 0.000 0.736 13 G HN 0.544 nan 8.290 nan 0.000 0.513 14 R N 0.208 120.639 120.500 -0.115 0.000 2.486 14 R HA 0.752 5.093 4.340 0.002 0.000 0.286 14 R C 0.604 176.920 176.300 0.026 0.000 0.999 14 R CA 0.266 56.209 56.100 -0.262 0.000 0.993 14 R CB 1.621 31.594 30.300 -0.545 0.000 1.084 14 R HN 0.638 nan 8.270 nan 0.000 0.487 15 S N 0.459 116.156 115.700 -0.005 0.000 2.874 15 S HA 0.175 4.646 4.470 0.002 0.000 0.318 15 S C 0.939 175.657 174.600 0.196 0.000 1.109 15 S CA -0.688 57.636 58.200 0.205 0.000 0.878 15 S CB 0.378 63.662 63.200 0.139 0.000 1.307 15 S HN 0.637 nan 8.310 nan 0.000 0.592 16 Y N 1.877 122.146 120.300 -0.051 0.000 2.069 16 Y HA -0.186 4.365 4.550 0.002 0.000 0.278 16 Y C 2.040 177.869 175.900 -0.119 0.000 1.175 16 Y CA 2.742 60.582 58.100 -0.433 0.000 1.134 16 Y CB -0.990 37.250 38.460 -0.367 0.000 0.965 16 Y HN 0.794 nan 8.280 nan 0.000 0.498 17 E N 0.431 120.474 120.200 -0.261 0.000 2.118 17 E HA -0.206 4.145 4.350 0.002 0.000 0.195 17 E C 1.887 178.338 176.600 -0.249 0.000 0.992 17 E CA 1.588 57.806 56.400 -0.302 0.000 0.804 17 E CB -0.358 29.271 29.700 -0.118 0.000 0.741 17 E HN 0.594 nan 8.360 nan 0.000 0.458 18 D N -0.209 120.054 120.400 -0.229 0.000 2.097 18 D HA -0.135 4.506 4.640 0.002 0.000 0.195 18 D C 1.764 177.931 176.300 -0.223 0.000 0.989 18 D CA 0.985 54.820 54.000 -0.275 0.000 0.827 18 D CB -0.262 40.167 40.800 -0.618 0.000 0.966 18 D HN 0.197 nan 8.370 nan 0.000 0.456 19 F N 1.008 120.942 119.950 -0.026 0.000 2.186 19 F HA -0.128 4.400 4.527 0.002 0.000 0.299 19 F C 2.664 178.211 175.800 -0.421 0.000 1.090 19 F CA 0.696 58.651 58.000 -0.074 0.000 1.307 19 F CB -0.597 38.526 39.000 0.204 0.000 1.019 19 F HN -0.108 nan 8.300 nan 0.000 0.489 20 Q N 1.056 120.703 119.800 -0.255 0.000 2.181 20 Q HA -0.191 4.150 4.340 0.002 0.000 0.205 20 Q C 1.808 177.645 176.000 -0.271 0.000 0.980 20 Q CA 1.761 57.346 55.803 -0.362 0.000 0.862 20 Q CB -0.234 28.245 28.738 -0.432 0.000 0.905 20 Q HN 0.318 nan 8.270 nan 0.000 0.429 21 K N -1.044 119.214 120.400 -0.238 0.000 2.103 21 K HA -0.041 4.280 4.320 0.002 0.000 0.204 21 K C 1.948 178.281 176.600 -0.444 0.000 1.052 21 K CA 1.197 57.374 56.287 -0.182 0.000 0.945 21 K CB 0.069 32.569 32.500 -0.001 0.000 0.722 21 K HN 0.058 nan 8.250 nan 0.000 0.443 22 V N 0.733 120.213 119.914 -0.723 0.000 2.307 22 V HA -0.270 3.851 4.120 0.002 0.000 0.245 22 V C 2.046 177.812 176.094 -0.547 0.000 1.045 22 V CA 1.644 63.340 62.300 -1.007 0.000 1.024 22 V CB -0.614 30.661 31.823 -0.914 0.000 0.651 22 V HN 0.265 nan 8.190 nan 0.000 0.449 23 Y N 1.888 121.814 120.300 -0.624 0.000 2.081 23 Y HA -0.308 4.242 4.550 0.001 0.000 0.280 23 Y C 2.343 178.050 175.900 -0.321 0.000 1.163 23 Y CA 2.234 60.003 58.100 -0.551 0.000 1.135 23 Y CB -0.739 37.261 38.460 -0.768 0.000 0.970 23 Y HN 0.356 nan 8.280 nan 0.000 0.498 24 N N -0.179 118.560 118.700 0.065 0.000 2.166 24 N HA -0.189 4.552 4.740 0.002 0.000 0.186 24 N C 1.991 177.476 175.510 -0.040 0.000 1.019 24 N CA 0.791 53.883 53.050 0.071 0.000 0.856 24 N CB -0.330 38.190 38.487 0.054 0.000 0.993 24 N HN 0.486 nan 8.380 nan 0.000 0.426 25 A N 1.434 124.205 122.820 -0.082 0.000 1.902 25 A HA -0.112 4.209 4.320 0.002 0.000 0.217 25 A C 2.128 179.646 177.584 -0.110 0.000 1.181 25 A CA 1.031 53.045 52.037 -0.039 0.000 0.623 25 A CB -0.597 18.464 19.000 0.102 0.000 0.818 25 A HN 0.175 nan 8.150 nan 0.000 0.443 26 I N -0.258 120.203 120.570 -0.182 0.000 2.179 26 I HA -0.278 3.893 4.170 0.002 0.000 0.242 26 I C 2.990 179.062 176.117 -0.075 0.000 1.088 26 I CA 1.104 62.327 61.300 -0.130 0.000 1.357 26 I CB -0.388 37.483 38.000 -0.215 0.000 1.051 26 I HN 0.351 nan 8.210 nan 0.000 0.409 27 A N 0.808 123.509 122.820 -0.199 0.000 1.902 27 A HA -0.165 4.156 4.320 0.002 0.000 0.217 27 A C 2.315 179.885 177.584 -0.024 0.000 1.181 27 A CA 1.488 53.438 52.037 -0.145 0.000 0.623 27 A CB -0.850 18.040 19.000 -0.183 0.000 0.818 27 A HN 0.391 nan 8.150 nan 0.000 0.443 28 L N -1.002 120.209 121.223 -0.021 0.000 2.093 28 L HA -0.136 4.205 4.340 0.002 0.000 0.208 28 L C 2.610 179.483 176.870 0.005 0.000 1.085 28 L CA 1.729 56.570 54.840 0.002 0.000 0.755 28 L CB -0.285 41.771 42.059 -0.004 0.000 0.904 28 L HN 0.452 nan 8.230 nan 0.000 0.435 29 K N 0.401 120.785 120.400 -0.026 0.000 2.217 29 K HA -0.127 4.194 4.320 0.002 0.000 0.202 29 K C 2.116 178.819 176.600 0.171 0.000 1.051 29 K CA 0.818 57.068 56.287 -0.061 0.000 0.952 29 K CB 0.084 32.356 32.500 -0.379 0.000 0.736 29 K HN 0.230 nan 8.250 nan 0.000 0.453 30 L N 0.533 121.915 121.223 0.265 0.000 2.046 30 L HA -0.160 4.181 4.340 0.002 0.000 0.208 30 L C 2.783 179.758 176.870 0.175 0.000 1.077 30 L CA 1.252 56.245 54.840 0.254 0.000 0.747 30 L CB -0.369 41.753 42.059 0.105 0.000 0.896 30 L HN 0.244 nan 8.230 nan 0.000 0.432 31 R N 0.270 120.839 120.500 0.116 0.000 2.096 31 R HA -0.239 4.102 4.340 0.002 0.000 0.235 31 R C 2.197 178.560 176.300 0.107 0.000 1.127 31 R CA 2.034 58.192 56.100 0.097 0.000 0.968 31 R CB -0.078 30.263 30.300 0.068 0.000 0.861 31 R HN 0.457 nan 8.270 nan 0.000 0.440 32 E N -0.046 120.212 120.200 0.097 0.000 2.086 32 E HA -0.112 4.239 4.350 0.002 0.000 0.190 32 E C -0.098 176.574 176.600 0.121 0.000 0.975 32 E CA 0.935 57.386 56.400 0.086 0.000 0.813 32 E CB 0.149 29.872 29.700 0.039 0.000 0.768 32 E HN 0.176 nan 8.360 nan 0.000 0.457 33 D N 1.917 122.419 120.400 0.171 0.000 2.994 33 D HA -0.018 4.623 4.640 0.002 0.000 0.240 33 D C -0.164 176.309 176.300 0.288 0.000 1.195 33 D CA 0.137 54.284 54.000 0.245 0.000 0.957 33 D CB 0.404 41.400 40.800 0.326 0.000 1.105 33 D HN 0.314 nan 8.370 nan 0.000 0.477 34 D N -1.219 119.295 120.400 0.191 0.000 2.349 34 D HA -0.102 4.539 4.640 0.002 0.000 0.224 34 D C 0.988 177.286 176.300 -0.004 0.000 1.029 34 D CA 0.307 54.405 54.000 0.163 0.000 0.879 34 D CB 0.157 41.075 40.800 0.198 0.000 0.906 34 D HN 0.025 nan 8.370 nan 0.000 0.528 35 E N -0.875 119.226 120.200 -0.164 0.000 2.400 35 E HA 0.006 4.357 4.350 0.002 0.000 0.195 35 E C 0.086 176.345 176.600 -0.568 0.000 1.012 35 E CA -0.424 55.488 56.400 -0.813 0.000 0.875 35 E CB -0.812 28.562 29.700 -0.544 0.000 0.859 35 E HN 0.587 nan 8.360 nan 0.000 0.498 36 Y N 2.304 122.404 120.300 -0.332 0.000 2.904 36 Y HA -0.024 4.527 4.550 0.001 0.000 0.336 36 Y C 0.534 176.246 175.900 -0.313 0.000 1.263 36 Y CA 0.455 58.336 58.100 -0.366 0.000 1.547 36 Y CB 0.023 38.048 38.460 -0.725 0.000 1.272 36 Y HN 0.088 nan 8.280 nan 0.000 0.596 37 D N 5.152 124.922 120.400 -1.049 0.000 2.735 37 D HA -0.304 4.337 4.640 0.002 0.000 0.235 37 D C -0.391 175.728 176.300 -0.300 0.000 1.175 37 D CA 1.479 55.058 54.000 -0.702 0.000 0.683 37 D CB -1.291 39.047 40.800 -0.770 0.000 1.008 37 D HN 0.820 nan 8.370 nan 0.000 0.416 38 N N 0.467 119.030 118.700 -0.228 0.000 2.740 38 N HA -0.294 4.447 4.740 0.002 0.000 0.248 38 N C -0.166 175.424 175.510 0.133 0.000 1.062 38 N CA 1.268 54.316 53.050 -0.004 0.000 0.704 38 N CB -1.381 37.127 38.487 0.035 0.000 0.968 38 N HN 0.644 nan 8.380 nan 0.000 0.547 39 Y N -3.345 116.942 120.300 -0.022 0.000 4.569 39 Y HA -0.283 4.269 4.550 0.002 0.000 0.237 39 Y C 1.576 177.491 175.900 0.025 0.000 1.090 39 Y CA 0.884 58.996 58.100 0.019 0.000 2.052 39 Y CB -2.126 36.349 38.460 0.024 0.000 1.621 39 Y HN 0.411 nan 8.280 nan 0.000 0.682 40 I N -0.482 120.113 120.570 0.040 0.000 2.480 40 I HA 0.146 4.317 4.170 0.002 0.000 0.251 40 I C 1.718 177.886 176.117 0.084 0.000 1.124 40 I CA 1.245 62.583 61.300 0.064 0.000 1.444 40 I CB -0.219 37.800 38.000 0.033 0.000 1.098 40 I HN 0.538 nan 8.210 nan 0.000 0.428 41 G N -0.309 108.536 108.800 0.075 0.000 2.710 41 G HA2 -0.280 3.681 3.960 0.002 0.000 0.668 41 G HA3 -0.280 3.681 3.960 0.002 0.000 0.668 41 G C -0.312 174.665 174.900 0.129 0.000 1.320 41 G CA -0.385 44.796 45.100 0.135 0.000 0.860 41 G HN 0.101 nan 8.290 nan 0.000 0.538 42 Y N 1.694 121.974 120.300 -0.035 0.000 2.490 42 Y HA 0.241 4.792 4.550 0.001 0.000 0.281 42 Y C 2.765 178.498 175.900 -0.277 0.000 1.174 42 Y CA 1.484 59.405 58.100 -0.299 0.000 1.295 42 Y CB -0.005 37.923 38.460 -0.887 0.000 1.062 42 Y HN 0.836 nan 8.280 nan 0.000 0.522 43 G N 1.808 110.594 108.800 -0.024 0.000 2.631 43 G HA2 -0.287 3.674 3.960 0.002 0.000 0.219 43 G HA3 -0.287 3.674 3.960 0.002 0.000 0.219 43 G C -0.534 174.364 174.900 -0.004 0.000 1.214 43 G CA 1.146 46.226 45.100 -0.033 0.000 0.785 43 G HN 0.272 nan 8.290 nan 0.000 0.596 44 P HA -0.053 nan 4.420 nan 0.000 0.215 44 P C 2.112 179.460 177.300 0.080 0.000 1.153 44 P CA 0.839 63.984 63.100 0.075 0.000 0.853 44 P CB -0.186 31.582 31.700 0.114 0.000 0.788 45 V N -0.574 119.382 119.914 0.070 0.000 2.490 45 V HA -0.194 3.927 4.120 0.002 0.000 0.250 45 V C 2.103 178.197 176.094 0.000 0.000 1.061 45 V CA 1.555 63.884 62.300 0.047 0.000 1.064 45 V CB -1.045 30.809 31.823 0.053 0.000 0.670 45 V HN 0.003 nan 8.190 nan 0.000 0.461 46 L N -0.952 120.249 121.223 -0.037 0.000 2.056 46 L HA -0.106 4.235 4.340 0.002 0.000 0.207 46 L C 2.494 179.401 176.870 0.063 0.000 1.078 46 L CA 1.304 56.123 54.840 -0.035 0.000 0.749 46 L CB -0.675 41.314 42.059 -0.117 0.000 0.901 46 L HN 0.225 nan 8.230 nan 0.000 0.433 47 V N 0.186 120.150 119.914 0.084 0.000 2.343 47 V HA -0.283 3.838 4.120 0.002 0.000 0.247 47 V C 2.569 178.821 176.094 0.263 0.000 1.051 47 V CA 1.885 64.293 62.300 0.181 0.000 1.036 47 V CB -0.509 31.368 31.823 0.089 0.000 0.654 47 V HN 0.362 nan 8.190 nan 0.000 0.451 48 K N 0.394 120.909 120.400 0.192 0.000 2.097 48 K HA -0.175 4.146 4.320 0.002 0.000 0.206 48 K C 1.881 178.538 176.600 0.095 0.000 1.049 48 K CA 1.541 57.969 56.287 0.235 0.000 0.933 48 K CB -0.698 31.867 32.500 0.108 0.000 0.717 48 K HN 0.328 nan 8.250 nan 0.000 0.442 49 L N 0.353 121.563 121.223 -0.022 0.000 2.046 49 L HA -0.003 4.338 4.340 0.002 0.000 0.208 49 L C 2.071 178.907 176.870 -0.056 0.000 1.077 49 L CA 2.238 56.977 54.840 -0.170 0.000 0.747 49 L CB -1.076 40.864 42.059 -0.199 0.000 0.896 49 L HN 0.216 nan 8.230 nan 0.000 0.432 50 A N -0.565 122.331 122.820 0.127 0.000 1.972 50 A HA -0.242 4.079 4.320 0.002 0.000 0.219 50 A C 2.229 179.970 177.584 0.262 0.000 1.169 50 A CA 1.557 53.712 52.037 0.197 0.000 0.635 50 A CB -1.248 17.924 19.000 0.287 0.000 0.810 50 A HN 0.832 nan 8.150 nan 0.000 0.446 51 W N -0.263 121.165 121.300 0.213 0.000 2.443 51 W HA -0.121 4.539 4.660 0.002 0.000 0.296 51 W C 1.732 178.403 176.519 0.254 0.000 1.202 51 W CA 1.500 59.002 57.345 0.262 0.000 1.312 51 W CB -0.695 28.964 29.460 0.331 0.000 1.120 51 W HN 0.550 nan 8.180 nan 0.000 0.536 52 H N 1.296 120.080 119.070 -0.477 0.000 2.387 52 H HA -0.160 4.397 4.556 0.002 0.000 0.299 52 H C 2.258 177.371 175.328 -0.359 0.000 1.090 52 H CA 2.093 57.772 56.048 -0.616 0.000 1.332 52 H CB 0.097 29.613 29.762 -0.412 0.000 1.386 52 H HN 0.319 nan 8.280 nan 0.000 0.516 53 I N -1.738 118.764 120.570 -0.113 0.000 2.617 53 I HA -0.037 4.134 4.170 0.002 0.000 0.256 53 I C 1.996 178.122 176.117 0.015 0.000 1.167 53 I CA 0.974 62.249 61.300 -0.042 0.000 1.469 53 I CB 0.085 38.062 38.000 -0.038 0.000 1.098 53 I HN -0.105 nan 8.210 nan 0.000 0.436 54 S N 1.211 116.918 115.700 0.011 0.000 2.439 54 S HA 0.180 4.651 4.470 0.002 0.000 0.224 54 S C 1.960 176.604 174.600 0.073 0.000 1.029 54 S CA 0.694 58.929 58.200 0.058 0.000 0.946 54 S CB -0.319 62.937 63.200 0.093 0.000 0.797 54 S HN 0.681 nan 8.310 nan 0.000 0.504 55 G N 1.856 110.600 108.800 -0.093 0.000 2.776 55 G HA2 -0.091 3.870 3.960 0.002 0.000 0.209 55 G HA3 -0.091 3.870 3.960 0.002 0.000 0.209 55 G C 1.257 176.122 174.900 -0.059 0.000 1.145 55 G CA 1.231 46.236 45.100 -0.158 0.000 0.791 55 G HN 0.603 nan 8.290 nan 0.000 0.530 56 T N -3.817 110.732 114.554 -0.009 0.000 3.129 56 T HA 0.025 4.376 4.350 0.002 0.000 0.251 56 T C 0.797 175.562 174.700 0.109 0.000 1.117 56 T CA -0.744 61.374 62.100 0.031 0.000 1.034 56 T CB -0.065 68.828 68.868 0.041 0.000 0.968 56 T HN 0.217 nan 8.240 nan 0.000 0.526 57 W N 2.953 124.229 121.300 -0.040 0.000 2.193 57 W HA 0.376 5.037 4.660 0.002 0.000 0.338 57 W C -0.480 176.000 176.519 -0.065 0.000 1.310 57 W CA -0.233 57.095 57.345 -0.028 0.000 1.243 57 W CB 0.400 29.853 29.460 -0.012 0.000 1.165 57 W HN 0.028 nan 8.180 nan 0.000 0.566 58 D N 5.286 125.216 120.400 -0.785 0.000 2.440 58 D HA 0.050 4.691 4.640 0.002 0.000 0.252 58 D C 0.964 176.479 176.300 -1.309 0.000 1.180 58 D CA -0.380 53.158 54.000 -0.769 0.000 0.894 58 D CB 1.089 41.683 40.800 -0.343 0.000 1.111 58 D HN 0.612 nan 8.370 nan 0.000 0.544 59 K N 3.089 122.534 120.400 -1.592 0.000 2.442 59 K HA -0.171 4.150 4.320 0.002 0.000 0.199 59 K C 0.753 176.907 176.600 -0.742 0.000 1.044 59 K CA 1.044 56.473 56.287 -1.429 0.000 0.941 59 K CB -0.064 31.899 32.500 -0.894 0.000 0.759 59 K HN 0.424 nan 8.250 nan 0.000 0.472 60 H N 1.820 120.629 119.070 -0.436 0.000 2.333 60 H HA -0.059 4.498 4.556 0.002 0.000 0.302 60 H C 0.907 176.116 175.328 -0.197 0.000 1.075 60 H CA 1.792 57.693 56.048 -0.246 0.000 1.348 60 H CB 0.029 29.678 29.762 -0.189 0.000 1.393 60 H HN 0.635 nan 8.280 nan 0.000 0.509 61 D N -1.525 118.814 120.400 -0.102 0.000 2.469 61 D HA 0.000 4.641 4.640 0.002 0.000 0.215 61 D C 0.352 176.608 176.300 -0.074 0.000 1.154 61 D CA -0.260 53.698 54.000 -0.069 0.000 0.832 61 D CB -0.248 40.527 40.800 -0.041 0.000 1.008 61 D HN 0.009 nan 8.370 nan 0.000 0.506 62 N N 0.246 118.857 118.700 -0.147 0.000 2.782 62 N HA -0.168 4.573 4.740 0.002 0.000 0.251 62 N C -0.705 174.923 175.510 0.196 0.000 1.101 62 N CA 1.284 54.376 53.050 0.069 0.000 0.764 62 N CB -1.752 36.802 38.487 0.110 0.000 1.122 62 N HN 0.607 nan 8.380 nan 0.000 0.561 63 T N -2.925 111.655 114.554 0.043 0.000 2.902 63 T HA 0.690 5.041 4.350 0.002 0.000 0.280 63 T C 1.151 175.970 174.700 0.198 0.000 0.992 63 T CA 0.346 62.538 62.100 0.155 0.000 1.015 63 T CB 1.709 70.617 68.868 0.067 0.000 1.044 63 T HN 1.069 nan 8.240 nan 0.000 0.520 64 G N 0.003 108.940 108.800 0.229 0.000 2.645 64 G HA2 0.358 4.319 3.960 0.002 0.000 0.239 64 G HA3 0.358 4.319 3.960 0.002 0.000 0.239 64 G C 0.354 175.457 174.900 0.338 0.000 1.331 64 G CA 0.039 45.279 45.100 0.234 0.000 0.890 64 G HN 2.769 nan 8.290 nan 0.000 0.572 65 G N -2.786 106.183 108.800 0.282 0.000 2.710 65 G HA2 0.310 4.271 3.960 0.002 0.000 0.668 65 G HA3 0.310 4.271 3.960 0.002 0.000 0.668 65 G C 1.225 176.191 174.900 0.110 0.000 1.320 65 G CA 1.219 46.426 45.100 0.178 0.000 0.860 65 G HN 2.489 nan 8.290 nan 0.000 0.538 66 S N -1.340 114.395 115.700 0.058 0.000 2.461 66 S HA -0.053 4.418 4.470 0.002 0.000 0.228 66 S C 1.898 176.562 174.600 0.107 0.000 1.005 66 S CA 1.722 59.981 58.200 0.100 0.000 0.942 66 S CB -0.324 62.925 63.200 0.080 0.000 0.776 66 S HN 1.323 nan 8.310 nan 0.000 0.514 67 Y N 3.002 123.245 120.300 -0.095 0.000 2.030 67 Y HA -0.175 4.376 4.550 0.002 0.000 0.272 67 Y C 2.432 178.295 175.900 -0.062 0.000 1.185 67 Y CA 1.839 59.852 58.100 -0.145 0.000 1.120 67 Y CB -1.015 37.233 38.460 -0.353 0.000 0.955 67 Y HN 0.361 nan 8.280 nan 0.000 0.495 68 G N -1.544 107.298 108.800 0.070 0.000 2.744 68 G HA2 0.142 4.103 3.960 0.002 0.000 0.211 68 G HA3 0.142 4.103 3.960 0.002 0.000 0.211 68 G C 1.287 176.250 174.900 0.105 0.000 1.143 68 G CA 0.405 45.550 45.100 0.074 0.000 0.788 68 G HN 0.990 nan 8.290 nan 0.000 0.534 69 G N 0.395 109.285 108.800 0.149 0.000 2.283 69 G HA2 -0.332 3.629 3.960 0.002 0.000 0.280 69 G HA3 -0.332 3.629 3.960 0.002 0.000 0.280 69 G C 1.273 176.326 174.900 0.255 0.000 1.029 69 G CA 1.556 46.811 45.100 0.260 0.000 0.840 69 G HN 1.143 nan 8.290 nan 0.000 0.505 70 T N -3.391 111.320 114.554 0.263 0.000 3.007 70 T HA -0.167 4.184 4.350 0.002 0.000 0.270 70 T C 1.853 176.699 174.700 0.243 0.000 1.107 70 T CA 1.564 63.844 62.100 0.301 0.000 1.118 70 T CB -0.203 68.901 68.868 0.393 0.000 0.889 70 T HN 0.837 nan 8.240 nan 0.000 0.506 71 Y N 3.540 123.919 120.300 0.131 0.000 2.384 71 Y HA -0.180 4.371 4.550 0.002 0.000 0.289 71 Y C 2.434 178.357 175.900 0.039 0.000 1.152 71 Y CA 1.398 59.535 58.100 0.061 0.000 1.258 71 Y CB -0.414 37.975 38.460 -0.117 0.000 0.979 71 Y HN 0.372 nan 8.280 nan 0.000 0.549 72 R N -0.977 119.460 120.500 -0.105 0.000 2.189 72 R HA -0.077 4.264 4.340 0.002 0.000 0.223 72 R C -0.342 175.642 176.300 -0.526 0.000 1.092 72 R CA 0.526 56.413 56.100 -0.354 0.000 0.989 72 R CB -0.823 29.330 30.300 -0.246 0.000 0.876 72 R HN 0.174 nan 8.270 nan 0.000 0.457 73 F N 1.936 121.837 119.950 -0.082 0.000 2.384 73 F HA 0.322 4.850 4.527 0.002 0.000 0.338 73 F C 1.473 177.215 175.800 -0.097 0.000 1.103 73 F CA -1.187 56.764 58.000 -0.080 0.000 1.157 73 F CB 1.172 40.169 39.000 -0.004 0.000 1.167 73 F HN -0.253 nan 8.300 nan 0.000 0.529 74 K N 1.637 122.097 120.400 0.100 0.000 2.034 74 K HA -0.302 4.019 4.320 0.002 0.000 0.214 74 K C 2.089 178.762 176.600 0.122 0.000 1.051 74 K CA 2.179 58.506 56.287 0.067 0.000 0.931 74 K CB -0.102 32.425 32.500 0.045 0.000 0.715 74 K HN 0.596 nan 8.250 nan 0.000 0.446 75 K N 1.206 121.675 120.400 0.115 0.000 2.034 75 K HA -0.270 4.051 4.320 0.002 0.000 0.214 75 K C 2.071 178.737 176.600 0.109 0.000 1.051 75 K CA 2.236 58.581 56.287 0.096 0.000 0.931 75 K CB -0.099 32.448 32.500 0.078 0.000 0.715 75 K HN 0.167 nan 8.250 nan 0.000 0.446 76 E N -0.821 119.466 120.200 0.145 0.000 2.152 76 E HA -0.162 4.189 4.350 0.002 0.000 0.192 76 E C 1.810 178.490 176.600 0.133 0.000 0.983 76 E CA 0.762 57.254 56.400 0.153 0.000 0.818 76 E CB -0.157 29.670 29.700 0.211 0.000 0.758 76 E HN 0.410 nan 8.360 nan 0.000 0.467 77 F N 1.371 121.222 119.950 -0.164 0.000 2.234 77 F HA -0.048 4.480 4.527 0.002 0.000 0.299 77 F C 1.412 177.133 175.800 -0.132 0.000 1.087 77 F CA 1.103 58.865 58.000 -0.397 0.000 1.340 77 F CB 0.184 38.799 39.000 -0.641 0.000 1.031 77 F HN 0.012 nan 8.300 nan 0.000 0.500 78 N N 0.581 119.299 118.700 0.030 0.000 2.268 78 N HA -0.037 4.704 4.740 0.002 0.000 0.204 78 N C -0.486 175.028 175.510 0.007 0.000 1.124 78 N CA 0.152 53.204 53.050 0.004 0.000 0.838 78 N CB -0.577 37.956 38.487 0.077 0.000 0.994 78 N HN 0.245 nan 8.380 nan 0.000 0.489 79 D N 1.607 122.018 120.400 0.019 0.000 2.434 79 D HA 0.029 4.670 4.640 0.002 0.000 0.252 79 D C -1.409 174.908 176.300 0.029 0.000 1.185 79 D CA -1.654 52.367 54.000 0.036 0.000 0.886 79 D CB 1.443 42.275 40.800 0.052 0.000 1.148 79 D HN 0.026 nan 8.370 nan 0.000 0.483 80 P HA -0.145 nan 4.420 nan 0.000 0.216 80 P C 1.181 178.519 177.300 0.063 0.000 1.154 80 P CA 1.135 64.258 63.100 0.038 0.000 0.865 80 P CB 0.198 31.920 31.700 0.037 0.000 0.789 81 S N -1.091 114.647 115.700 0.064 0.000 2.469 81 S HA -0.079 4.392 4.470 0.002 0.000 0.238 81 S C 1.369 176.100 174.600 0.219 0.000 0.998 81 S CA 0.928 59.184 58.200 0.094 0.000 0.957 81 S CB -0.770 62.417 63.200 -0.021 0.000 0.764 81 S HN 0.240 nan 8.310 nan 0.000 0.514 82 N N 1.306 120.104 118.700 0.163 0.000 2.280 82 N HA 0.275 5.016 4.740 0.002 0.000 0.192 82 N C 0.217 175.749 175.510 0.036 0.000 1.109 82 N CA 0.031 53.191 53.050 0.184 0.000 0.855 82 N CB 0.013 38.606 38.487 0.177 0.000 0.974 82 N HN 0.313 nan 8.380 nan 0.000 0.482 83 A N 0.056 122.900 122.820 0.039 0.000 2.587 83 A HA 0.386 4.707 4.320 0.002 0.000 0.235 83 A C 1.516 179.093 177.584 -0.012 0.000 1.044 83 A CA 1.014 53.048 52.037 -0.004 0.000 0.754 83 A CB -0.329 18.688 19.000 0.028 0.000 0.968 83 A HN 0.472 nan 8.150 nan 0.000 0.509 84 G N 0.873 109.649 108.800 -0.040 0.000 2.258 84 G HA2 -0.256 3.705 3.960 0.002 0.000 0.233 84 G HA3 -0.256 3.705 3.960 0.002 0.000 0.233 84 G C 0.840 175.722 174.900 -0.030 0.000 1.006 84 G CA 0.424 45.499 45.100 -0.041 0.000 0.620 84 G HN 0.798 nan 8.290 nan 0.000 0.511 85 L N 1.852 123.038 121.223 -0.062 0.000 2.291 85 L HA -0.038 4.303 4.340 0.002 0.000 0.214 85 L C 3.110 180.032 176.870 0.086 0.000 1.120 85 L CA 1.517 56.323 54.840 -0.057 0.000 0.799 85 L CB -0.422 41.523 42.059 -0.190 0.000 0.925 85 L HN 0.524 nan 8.230 nan 0.000 0.446 86 Q N -0.298 119.527 119.800 0.042 0.000 2.297 86 Q HA -0.203 4.138 4.340 0.002 0.000 0.208 86 Q C 1.268 177.460 176.000 0.319 0.000 0.981 86 Q CA 1.269 57.187 55.803 0.193 0.000 0.876 86 Q CB -0.746 28.044 28.738 0.087 0.000 0.921 86 Q HN 0.495 nan 8.270 nan 0.000 0.446 87 N N 1.216 120.042 118.700 0.209 0.000 2.216 87 N HA -0.060 4.681 4.740 0.002 0.000 0.183 87 N C 1.907 177.558 175.510 0.236 0.000 1.017 87 N CA 1.515 54.697 53.050 0.220 0.000 0.861 87 N CB -0.524 38.063 38.487 0.167 0.000 0.986 87 N HN 0.527 nan 8.380 nan 0.000 0.428 88 G N -0.312 108.599 108.800 0.184 0.000 2.421 88 G HA2 -0.187 3.774 3.960 0.002 0.000 0.217 88 G HA3 -0.187 3.774 3.960 0.002 0.000 0.217 88 G C 1.386 176.439 174.900 0.256 0.000 1.143 88 G CA -0.011 45.173 45.100 0.140 0.000 0.784 88 G HN 0.232 nan 8.290 nan 0.000 0.541 89 F N 2.090 122.172 119.950 0.220 0.000 2.051 89 F HA -0.069 4.459 4.527 0.002 0.000 0.296 89 F C 2.890 178.845 175.800 0.258 0.000 1.122 89 F CA 2.027 60.230 58.000 0.338 0.000 1.201 89 F CB -0.281 39.040 39.000 0.536 0.000 0.978 89 F HN 0.040 nan 8.300 nan 0.000 0.472 90 K N -0.091 120.489 120.400 0.301 0.000 2.152 90 K HA -0.207 4.114 4.320 0.002 0.000 0.206 90 K C 1.882 178.473 176.600 -0.015 0.000 1.048 90 K CA 1.364 57.722 56.287 0.118 0.000 0.933 90 K CB -1.476 31.136 32.500 0.187 0.000 0.721 90 K HN 0.547 nan 8.250 nan 0.000 0.447 91 F N 0.864 120.702 119.950 -0.185 0.000 2.146 91 F HA 0.013 4.541 4.527 0.001 0.000 0.298 91 F C 1.734 177.365 175.800 -0.281 0.000 1.096 91 F CA 1.416 59.184 58.000 -0.386 0.000 1.275 91 F CB -0.100 38.507 39.000 -0.655 0.000 1.008 91 F HN -0.036 nan 8.300 nan 0.000 0.480 92 L N -0.231 120.996 121.223 0.007 0.000 2.270 92 L HA -0.072 4.269 4.340 0.002 0.000 0.210 92 L C 2.260 179.003 176.870 -0.212 0.000 1.104 92 L CA 0.701 55.492 54.840 -0.082 0.000 0.804 92 L CB -0.683 41.406 42.059 0.050 0.000 0.937 92 L HN 0.139 nan 8.230 nan 0.000 0.450 93 E N 0.621 120.651 120.200 -0.283 0.000 2.048 93 E HA -0.249 4.102 4.350 0.002 0.000 0.202 93 E C -0.620 175.881 176.600 -0.165 0.000 1.021 93 E CA 1.978 58.223 56.400 -0.258 0.000 0.825 93 E CB -0.968 28.583 29.700 -0.248 0.000 0.756 93 E HN 0.404 nan 8.360 nan 0.000 0.454 94 P HA -0.176 nan 4.420 nan 0.000 0.217 94 P C 1.307 178.516 177.300 -0.152 0.000 1.148 94 P CA 1.392 64.385 63.100 -0.179 0.000 0.828 94 P CB -0.098 31.466 31.700 -0.227 0.000 0.783 95 I N -1.505 118.972 120.570 -0.154 0.000 2.353 95 I HA -0.190 3.981 4.170 0.002 0.000 0.248 95 I C 2.756 178.903 176.117 0.050 0.000 1.119 95 I CA 1.129 62.400 61.300 -0.048 0.000 1.417 95 I CB -0.757 37.172 38.000 -0.118 0.000 1.078 95 I HN 0.011 nan 8.210 nan 0.000 0.421 96 H N 0.674 119.654 119.070 -0.149 0.000 2.353 96 H HA -0.178 4.379 4.556 0.002 0.000 0.300 96 H C 2.454 177.677 175.328 -0.174 0.000 1.090 96 H CA 1.301 57.239 56.048 -0.183 0.000 1.327 96 H CB 0.317 29.949 29.762 -0.217 0.000 1.383 96 H HN -0.027 nan 8.280 nan 0.000 0.508 97 K N 0.301 120.674 120.400 -0.045 0.000 2.152 97 K HA -0.169 4.152 4.320 0.002 0.000 0.206 97 K C 1.965 178.462 176.600 -0.172 0.000 1.048 97 K CA 1.569 57.778 56.287 -0.131 0.000 0.933 97 K CB -0.225 32.197 32.500 -0.129 0.000 0.721 97 K HN 0.567 nan 8.250 nan 0.000 0.447 98 E N -1.592 118.482 120.200 -0.210 0.000 2.216 98 E HA -0.021 4.330 4.350 0.002 0.000 0.192 98 E C -0.396 175.801 176.600 -0.671 0.000 0.988 98 E CA 0.701 56.825 56.400 -0.461 0.000 0.834 98 E CB 0.226 29.578 29.700 -0.580 0.000 0.772 98 E HN 0.455 nan 8.360 nan 0.000 0.479 99 F N -0.044 119.769 119.950 -0.228 0.000 2.523 99 F HA 0.321 4.849 4.527 0.001 0.000 0.322 99 F C -2.103 173.348 175.800 -0.582 0.000 1.361 99 F CA -2.140 55.564 58.000 -0.494 0.000 1.151 99 F CB 1.577 40.178 39.000 -0.666 0.000 1.391 99 F HN -0.032 nan 8.300 nan 0.000 0.566 100 P HA -0.146 nan 4.420 nan 0.000 0.225 100 P C 1.571 178.822 177.300 -0.082 0.000 1.148 100 P CA 1.134 64.132 63.100 -0.170 0.000 0.779 100 P CB -0.105 31.523 31.700 -0.119 0.000 0.780 101 W N -1.016 120.333 121.300 0.081 0.000 2.800 101 W HA 0.182 4.843 4.660 0.002 0.000 0.249 101 W C 0.530 177.118 176.519 0.115 0.000 1.294 101 W CA -0.419 56.967 57.345 0.069 0.000 1.402 101 W CB -1.205 28.277 29.460 0.037 0.000 1.126 101 W HN -0.076 nan 8.180 nan 0.000 0.652 102 I N 3.784 124.178 120.570 -0.294 0.000 2.474 102 I HA 0.040 4.211 4.170 0.002 0.000 0.287 102 I C 1.137 177.302 176.117 0.079 0.000 1.048 102 I CA -0.126 61.091 61.300 -0.139 0.000 1.383 102 I CB 1.112 38.763 38.000 -0.582 0.000 1.412 102 I HN -0.119 nan 8.210 nan 0.000 0.531 103 S N 4.343 120.110 115.700 0.112 0.000 2.593 103 S HA 0.134 4.605 4.470 0.002 0.000 0.269 103 S C 1.021 175.549 174.600 -0.121 0.000 1.334 103 S CA -0.357 57.869 58.200 0.043 0.000 1.015 103 S CB 1.593 64.808 63.200 0.024 0.000 0.912 103 S HN 0.740 nan 8.310 nan 0.000 0.541 104 S N 2.174 117.780 115.700 -0.157 0.000 2.353 104 S HA -0.028 4.443 4.470 0.002 0.000 0.222 104 S C 2.170 176.428 174.600 -0.570 0.000 1.035 104 S CA 1.462 59.366 58.200 -0.492 0.000 1.025 104 S CB -1.318 61.730 63.200 -0.253 0.000 0.902 104 S HN 0.968 nan 8.310 nan 0.000 0.440 105 G N 1.581 110.277 108.800 -0.173 0.000 2.440 105 G HA2 -0.259 3.702 3.960 0.002 0.000 0.218 105 G HA3 -0.259 3.702 3.960 0.002 0.000 0.218 105 G C 1.052 175.984 174.900 0.052 0.000 1.154 105 G CA 1.264 46.372 45.100 0.013 0.000 0.767 105 G HN 0.390 nan 8.290 nan 0.000 0.552 106 D N -0.128 120.303 120.400 0.052 0.000 2.117 106 D HA -0.074 4.567 4.640 0.002 0.000 0.197 106 D C 2.383 178.779 176.300 0.160 0.000 0.987 106 D CA 0.484 54.669 54.000 0.308 0.000 0.829 106 D CB -0.354 40.702 40.800 0.427 0.000 0.961 106 D HN 0.231 nan 8.370 nan 0.000 0.460 107 L N 0.082 121.191 121.223 -0.190 0.000 1.994 107 L HA -0.151 4.190 4.340 0.002 0.000 0.208 107 L C 1.990 178.760 176.870 -0.166 0.000 1.071 107 L CA 1.562 56.192 54.840 -0.349 0.000 0.745 107 L CB -0.719 40.904 42.059 -0.727 0.000 0.892 107 L HN -0.105 nan 8.230 nan 0.000 0.431 108 F N 0.082 120.025 119.950 -0.012 0.000 2.126 108 F HA -0.211 4.317 4.527 0.001 0.000 0.299 108 F C 2.895 178.720 175.800 0.042 0.000 1.096 108 F CA 1.268 59.282 58.000 0.024 0.000 1.255 108 F CB -1.850 37.188 39.000 0.065 0.000 0.997 108 F HN 0.351 nan 8.300 nan 0.000 0.479 109 S N 0.138 116.008 115.700 0.283 0.000 2.371 109 S HA -0.133 4.338 4.470 0.002 0.000 0.224 109 S C 1.974 176.662 174.600 0.148 0.000 1.029 109 S CA 0.899 59.262 58.200 0.273 0.000 0.978 109 S CB -1.044 62.398 63.200 0.403 0.000 0.833 109 S HN 0.280 nan 8.310 nan 0.000 0.466 110 L N 2.841 124.034 121.223 -0.050 0.000 2.141 110 L HA 0.230 4.571 4.340 0.002 0.000 0.209 110 L C 2.333 179.042 176.870 -0.268 0.000 1.094 110 L CA 1.669 56.208 54.840 -0.502 0.000 0.763 110 L CB -1.360 40.226 42.059 -0.788 0.000 0.908 110 L HN 0.381 nan 8.230 nan 0.000 0.437 111 G N -0.905 107.823 108.800 -0.119 0.000 2.418 111 G HA2 -0.217 3.744 3.960 0.002 0.000 0.217 111 G HA3 -0.217 3.744 3.960 0.002 0.000 0.217 111 G C 1.510 176.396 174.900 -0.023 0.000 1.158 111 G CA 0.583 45.637 45.100 -0.077 0.000 0.771 111 G HN 0.572 nan 8.290 nan 0.000 0.545 112 G N 0.419 109.278 108.800 0.098 0.000 2.421 112 G HA2 -0.152 3.809 3.960 0.002 0.000 0.216 112 G HA3 -0.152 3.809 3.960 0.002 0.000 0.216 112 G C 1.801 176.860 174.900 0.265 0.000 1.171 112 G CA 1.226 46.479 45.100 0.255 0.000 0.775 112 G HN 0.309 nan 8.290 nan 0.000 0.543 113 V N 1.135 121.193 119.914 0.238 0.000 2.287 113 V HA -0.222 3.898 4.120 0.002 0.000 0.248 113 V C 3.208 179.351 176.094 0.082 0.000 1.053 113 V CA 2.493 64.928 62.300 0.225 0.000 1.027 113 V CB -1.034 30.895 31.823 0.176 0.000 0.646 113 V HN 0.423 nan 8.190 nan 0.000 0.447 114 T N 0.341 114.834 114.554 -0.103 0.000 2.684 114 T HA -0.198 4.153 4.350 0.002 0.000 0.267 114 T C 2.058 176.626 174.700 -0.220 0.000 1.036 114 T CA 1.683 63.557 62.100 -0.376 0.000 1.148 114 T CB -0.524 67.914 68.868 -0.717 0.000 0.863 114 T HN 0.586 nan 8.240 nan 0.000 0.436 115 A N 1.133 123.868 122.820 -0.143 0.000 1.865 115 A HA -0.090 4.231 4.320 0.002 0.000 0.217 115 A C 2.629 180.156 177.584 -0.095 0.000 1.191 115 A CA 1.708 53.684 52.037 -0.102 0.000 0.623 115 A CB -1.199 17.760 19.000 -0.068 0.000 0.826 115 A HN 0.341 nan 8.150 nan 0.000 0.444 116 V N 0.080 119.917 119.914 -0.127 0.000 2.255 116 V HA -0.355 3.766 4.120 0.002 0.000 0.247 116 V C 2.698 178.635 176.094 -0.261 0.000 1.051 116 V CA 2.414 64.533 62.300 -0.302 0.000 1.018 116 V CB -1.002 30.543 31.823 -0.462 0.000 0.641 116 V HN 0.659 nan 8.190 nan 0.000 0.445 117 Q N -0.712 119.021 119.800 -0.112 0.000 2.119 117 Q HA -0.180 4.161 4.340 0.002 0.000 0.201 117 Q C 2.224 178.234 176.000 0.017 0.000 0.972 117 Q CA 1.230 57.020 55.803 -0.023 0.000 0.847 117 Q CB -0.166 28.664 28.738 0.154 0.000 0.903 117 Q HN 0.609 nan 8.270 nan 0.000 0.433 118 E N 0.147 120.354 120.200 0.013 0.000 2.358 118 E HA -0.032 4.319 4.350 0.002 0.000 0.195 118 E C 1.206 177.821 176.600 0.024 0.000 1.010 118 E CA 0.651 57.068 56.400 0.027 0.000 0.856 118 E CB 0.117 29.811 29.700 -0.012 0.000 0.795 118 E HN 0.445 nan 8.360 nan 0.000 0.504 119 M N 0.138 119.740 119.600 0.003 0.000 2.571 119 M HA 0.062 4.543 4.480 0.002 0.000 0.235 119 M C -0.339 176.005 176.300 0.072 0.000 1.216 119 M CA 0.197 55.524 55.300 0.044 0.000 0.979 119 M CB 0.100 32.736 32.600 0.060 0.000 1.616 119 M HN -0.082 nan 8.290 nan 0.000 0.469 120 Q N -0.881 118.947 119.800 0.047 0.000 2.503 120 Q HA -0.146 4.195 4.340 0.002 0.000 0.267 120 Q C 0.469 176.492 176.000 0.039 0.000 1.030 120 Q CA 0.332 56.181 55.803 0.076 0.000 1.041 120 Q CB -2.133 26.684 28.738 0.132 0.000 1.406 120 Q HN 0.759 nan 8.270 nan 0.000 0.524 121 G N 0.814 109.492 108.800 -0.203 0.000 2.510 121 G HA2 0.567 4.528 3.960 0.002 0.000 0.280 121 G HA3 0.567 4.528 3.960 0.002 0.000 0.280 121 G C -2.215 172.326 174.900 -0.599 0.000 1.386 121 G CA -0.736 43.936 45.100 -0.712 0.000 1.047 121 G HN 0.062 nan 8.290 nan 0.000 0.527 122 P HA 0.247 nan 4.420 nan 0.000 0.274 122 P C -0.738 176.432 177.300 -0.217 0.000 1.256 122 P CA -0.529 62.340 63.100 -0.384 0.000 0.795 122 P CB 0.797 32.262 31.700 -0.392 0.000 1.038 123 K N 1.266 121.622 120.400 -0.073 0.000 2.298 123 K HA 0.343 4.664 4.320 0.002 0.000 0.280 123 K C 0.072 176.676 176.600 0.007 0.000 1.032 123 K CA -0.260 56.022 56.287 -0.008 0.000 0.958 123 K CB 0.250 32.756 32.500 0.010 0.000 0.978 123 K HN 0.413 nan 8.250 nan 0.000 0.472 124 I N 5.116 125.728 120.570 0.071 0.000 2.382 124 I HA 0.258 4.429 4.170 0.002 0.000 0.286 124 I C -2.305 173.894 176.117 0.136 0.000 1.002 124 I CA -2.736 58.634 61.300 0.117 0.000 1.135 124 I CB 1.235 39.375 38.000 0.233 0.000 1.288 124 I HN 0.131 nan 8.210 nan 0.000 0.448 125 P HA 0.088 nan 4.420 nan 0.000 0.271 125 P C -1.099 176.269 177.300 0.113 0.000 1.216 125 P CA 0.140 63.251 63.100 0.018 0.000 0.776 125 P CB 0.609 32.266 31.700 -0.072 0.000 0.881 126 W N 3.804 125.037 121.300 -0.112 0.000 3.022 126 W HA 0.484 5.145 4.660 0.002 0.000 0.335 126 W C -1.062 175.323 176.519 -0.223 0.000 1.133 126 W CA -0.622 56.686 57.345 -0.062 0.000 1.219 126 W CB 1.732 31.318 29.460 0.210 0.000 1.409 126 W HN 0.206 nan 8.180 nan 0.000 0.507 127 R N 4.011 123.889 120.500 -1.037 0.000 2.637 127 R HA 0.606 4.947 4.340 0.002 0.000 0.291 127 R C -0.149 175.166 176.300 -1.642 0.000 0.963 127 R CA -0.733 54.656 56.100 -1.185 0.000 0.901 127 R CB 1.238 30.878 30.300 -1.100 0.000 1.160 127 R HN 0.661 nan 8.270 nan 0.000 0.457 128 C N -0.768 117.795 119.300 -1.228 0.000 2.345 128 C HA 0.905 5.366 4.460 0.002 0.000 0.369 128 C C 1.374 176.218 174.990 -0.243 0.000 1.273 128 C CA 0.467 58.990 59.018 -0.825 0.000 2.310 128 C CB 0.517 27.926 27.740 -0.551 0.000 2.219 128 C HN 1.043 nan 8.230 nan 0.000 0.587 129 G N 0.261 109.047 108.800 -0.023 0.000 2.205 129 G HA2 -0.109 3.852 3.960 0.002 0.000 0.180 129 G HA3 -0.109 3.852 3.960 0.002 0.000 0.180 129 G C 0.012 174.912 174.900 0.001 0.000 1.004 129 G CA -0.288 44.850 45.100 0.065 0.000 0.670 129 G HN 0.939 nan 8.290 nan 0.000 0.496 130 R N -0.040 120.412 120.500 -0.079 0.000 2.643 130 R HA 0.496 4.837 4.340 0.002 0.000 0.270 130 R C -0.138 175.899 176.300 -0.437 0.000 1.061 130 R CA 0.173 56.067 56.100 -0.342 0.000 1.107 130 R CB 1.176 31.347 30.300 -0.216 0.000 0.999 130 R HN 0.096 nan 8.270 nan 0.000 0.460 131 V N 2.470 121.816 119.914 -0.945 0.000 2.588 131 V HA 0.107 4.228 4.120 0.002 0.000 0.304 131 V C -0.643 175.244 176.094 -0.345 0.000 1.042 131 V CA -1.020 61.011 62.300 -0.448 0.000 0.877 131 V CB 1.994 33.665 31.823 -0.253 0.000 0.996 131 V HN 0.678 nan 8.190 nan 0.000 0.425 132 D N 3.109 123.440 120.400 -0.115 0.000 2.493 132 D HA 0.347 4.988 4.640 0.002 0.000 0.240 132 D C 0.546 176.889 176.300 0.072 0.000 1.142 132 D CA 0.574 54.566 54.000 -0.012 0.000 0.872 132 D CB 0.967 41.782 40.800 0.025 0.000 1.173 132 D HN 0.812 nan 8.370 nan 0.000 0.467 133 T N -0.660 113.988 114.554 0.157 0.000 2.942 133 T HA 0.704 5.055 4.350 0.002 0.000 0.289 133 T C -2.702 172.189 174.700 0.317 0.000 1.044 133 T CA -2.285 59.949 62.100 0.223 0.000 1.023 133 T CB 1.740 70.757 68.868 0.249 0.000 1.123 133 T HN -0.069 nan 8.240 nan 0.000 0.512 134 P HA 0.203 nan 4.420 nan 0.000 0.270 134 P C 0.679 177.892 177.300 -0.146 0.000 1.223 134 P CA -0.351 62.805 63.100 0.094 0.000 0.785 134 P CB 0.410 32.126 31.700 0.027 0.000 0.923 135 E N 1.387 121.135 120.200 -0.753 0.000 2.331 135 E HA -0.256 4.095 4.350 0.002 0.000 0.199 135 E C 0.903 177.148 176.600 -0.593 0.000 1.008 135 E CA 1.159 56.591 56.400 -1.614 0.000 0.843 135 E CB -0.087 28.712 29.700 -1.501 0.000 0.761 135 E HN 0.466 nan 8.360 nan 0.000 0.507 136 D N -0.561 119.670 120.400 -0.281 0.000 2.349 136 D HA -0.089 4.552 4.640 0.002 0.000 0.215 136 D C 1.460 177.740 176.300 -0.033 0.000 1.016 136 D CA 1.090 55.015 54.000 -0.125 0.000 0.870 136 D CB -0.141 40.608 40.800 -0.085 0.000 0.917 136 D HN 0.164 nan 8.370 nan 0.000 0.524 137 T N -2.912 111.646 114.554 0.007 0.000 3.107 137 T HA 0.071 4.422 4.350 0.002 0.000 0.249 137 T C 0.717 175.492 174.700 0.123 0.000 1.096 137 T CA -0.274 61.884 62.100 0.097 0.000 1.012 137 T CB -0.697 68.269 68.868 0.163 0.000 0.977 137 T HN -0.102 nan 8.240 nan 0.000 0.527 138 T N 5.833 120.443 114.554 0.092 0.000 2.817 138 T HA 0.262 4.613 4.350 0.002 0.000 0.295 138 T C -2.330 172.432 174.700 0.103 0.000 0.958 138 T CA -0.894 61.294 62.100 0.146 0.000 1.157 138 T CB 0.647 69.607 68.868 0.152 0.000 0.898 138 T HN 0.310 nan 8.240 nan 0.000 0.536 139 P HA 0.167 nan 4.420 nan 0.000 0.271 139 P C -0.262 177.081 177.300 0.071 0.000 1.216 139 P CA -0.450 62.702 63.100 0.086 0.000 0.776 139 P CB 0.729 32.484 31.700 0.091 0.000 0.881 140 D N 1.945 122.375 120.400 0.050 0.000 2.382 140 D HA 0.068 4.709 4.640 0.002 0.000 0.240 140 D C 0.556 176.882 176.300 0.043 0.000 1.146 140 D CA 0.315 54.340 54.000 0.042 0.000 0.897 140 D CB 0.478 41.297 40.800 0.030 0.000 1.197 140 D HN 0.303 nan 8.370 nan 0.000 0.432 141 N N -0.225 118.500 118.700 0.042 0.000 2.340 141 N HA 0.257 4.998 4.740 0.002 0.000 0.236 141 N C 1.240 176.773 175.510 0.038 0.000 1.296 141 N CA 0.563 53.636 53.050 0.039 0.000 0.896 141 N CB 0.500 39.010 38.487 0.038 0.000 1.127 141 N HN 0.648 nan 8.380 nan 0.000 0.442 142 G N -0.299 108.523 108.800 0.037 0.000 2.141 142 G HA2 -0.279 3.682 3.960 0.002 0.000 0.231 142 G HA3 -0.279 3.682 3.960 0.002 0.000 0.231 142 G C 0.778 175.723 174.900 0.076 0.000 0.984 142 G CA 0.045 45.178 45.100 0.055 0.000 0.660 142 G HN 0.575 nan 8.290 nan 0.000 0.525 143 R N -0.769 119.767 120.500 0.059 0.000 2.280 143 R HA 0.366 4.707 4.340 0.002 0.000 0.195 143 R C 1.099 177.499 176.300 0.167 0.000 0.935 143 R CA 0.017 56.170 56.100 0.088 0.000 1.033 143 R CB 0.271 30.591 30.300 0.033 0.000 0.964 143 R HN 0.406 nan 8.270 nan 0.000 0.489 144 L N 2.804 124.058 121.223 0.052 0.000 2.399 144 L HA 0.319 4.660 4.340 0.002 0.000 0.266 144 L C -1.907 174.943 176.870 -0.033 0.000 1.114 144 L CA -2.221 52.590 54.840 -0.049 0.000 0.804 144 L CB 0.574 42.437 42.059 -0.327 0.000 1.146 144 L HN -0.135 nan 8.230 nan 0.000 0.451 145 P HA 0.120 nan 4.420 nan 0.000 0.274 145 P C -1.314 175.976 177.300 -0.017 0.000 1.231 145 P CA -0.472 62.408 63.100 -0.367 0.000 0.790 145 P CB 0.863 32.017 31.700 -0.910 0.000 0.951 146 D N 0.677 121.111 120.400 0.057 0.000 2.313 146 D HA 0.276 4.917 4.640 0.002 0.000 0.247 146 D C 0.963 177.262 176.300 -0.002 0.000 1.094 146 D CA -0.353 53.639 54.000 -0.012 0.000 0.925 146 D CB 1.221 41.926 40.800 -0.159 0.000 1.188 146 D HN 0.344 nan 8.370 nan 0.000 0.430 147 A N 1.015 123.859 122.820 0.040 0.000 2.220 147 A HA -0.037 4.284 4.320 0.002 0.000 0.211 147 A C 0.730 178.324 177.584 0.018 0.000 1.176 147 A CA 0.099 52.140 52.037 0.008 0.000 0.834 147 A CB 0.056 18.960 19.000 -0.161 0.000 0.868 147 A HN 0.488 nan 8.150 nan 0.000 0.488 148 D N -0.033 120.391 120.400 0.039 0.000 2.889 148 D HA 0.170 4.811 4.640 0.002 0.000 0.243 148 D C 0.110 176.406 176.300 -0.006 0.000 1.270 148 D CA -0.003 54.038 54.000 0.068 0.000 0.838 148 D CB 0.131 40.990 40.800 0.099 0.000 1.040 148 D HN 0.070 nan 8.370 nan 0.000 0.480 149 K N 0.323 120.705 120.400 -0.030 0.000 2.261 149 K HA 0.345 4.666 4.320 0.002 0.000 0.242 149 K C 0.078 176.760 176.600 0.137 0.000 1.083 149 K CA -0.595 55.666 56.287 -0.044 0.000 0.880 149 K CB 1.251 33.514 32.500 -0.395 0.000 1.353 149 K HN 0.179 nan 8.250 nan 0.000 0.486 150 D N -1.400 119.122 120.400 0.203 0.000 2.592 150 D HA 0.320 4.961 4.640 0.002 0.000 0.259 150 D C 0.737 177.224 176.300 0.312 0.000 1.144 150 D CA -0.546 53.600 54.000 0.243 0.000 1.080 150 D CB 0.614 41.535 40.800 0.202 0.000 1.225 150 D HN 0.331 nan 8.370 nan 0.000 0.619 151 A N -0.193 122.799 122.820 0.287 0.000 1.940 151 A HA -0.001 4.320 4.320 0.002 0.000 0.219 151 A C 2.044 179.829 177.584 0.335 0.000 1.176 151 A CA 2.318 54.577 52.037 0.371 0.000 0.631 151 A CB -1.490 17.702 19.000 0.319 0.000 0.814 151 A HN 0.687 nan 8.150 nan 0.000 0.446 152 G N -1.595 107.354 108.800 0.248 0.000 2.421 152 G HA2 -0.269 3.692 3.960 0.002 0.000 0.216 152 G HA3 -0.269 3.692 3.960 0.002 0.000 0.216 152 G C 1.544 176.596 174.900 0.252 0.000 1.171 152 G CA 1.242 46.463 45.100 0.202 0.000 0.775 152 G HN 0.605 nan 8.290 nan 0.000 0.543 153 Y N 1.307 121.721 120.300 0.190 0.000 2.128 153 Y HA -0.169 4.382 4.550 0.002 0.000 0.284 153 Y C 2.844 178.916 175.900 0.286 0.000 1.154 153 Y CA 1.863 60.086 58.100 0.205 0.000 1.149 153 Y CB -0.444 38.116 38.460 0.168 0.000 0.976 153 Y HN 0.031 nan 8.280 nan 0.000 0.505 154 V N 1.121 121.251 119.914 0.360 0.000 2.332 154 V HA -0.344 3.777 4.120 0.002 0.000 0.248 154 V C 2.569 178.943 176.094 0.467 0.000 1.055 154 V CA 2.383 64.921 62.300 0.397 0.000 1.038 154 V CB -0.798 31.282 31.823 0.428 0.000 0.651 154 V HN 0.401 nan 8.190 nan 0.000 0.450 155 R N -0.393 120.347 120.500 0.401 0.000 2.073 155 R HA -0.167 4.174 4.340 0.002 0.000 0.234 155 R C 2.447 178.888 176.300 0.234 0.000 1.134 155 R CA 2.163 58.469 56.100 0.343 0.000 0.952 155 R CB -0.572 29.854 30.300 0.210 0.000 0.850 155 R HN 0.497 nan 8.270 nan 0.000 0.433 156 T N 0.742 115.382 114.554 0.143 0.000 2.652 156 T HA -0.194 4.157 4.350 0.002 0.000 0.267 156 T C 1.341 176.041 174.700 0.001 0.000 1.039 156 T CA 1.695 63.830 62.100 0.059 0.000 1.153 156 T CB -0.428 68.464 68.868 0.040 0.000 0.863 156 T HN 0.290 nan 8.240 nan 0.000 0.428 157 F N 1.073 120.899 119.950 -0.208 0.000 2.043 157 F HA -0.161 4.367 4.527 0.002 0.000 0.297 157 F C 1.785 177.481 175.800 -0.173 0.000 1.121 157 F CA 1.495 59.311 58.000 -0.307 0.000 1.199 157 F CB -0.576 38.078 39.000 -0.578 0.000 0.968 157 F HN 0.123 nan 8.300 nan 0.000 0.478 158 F N 0.381 120.405 119.950 0.123 0.000 2.333 158 F HA -0.181 4.347 4.527 0.002 0.000 0.300 158 F C 2.485 178.282 175.800 -0.005 0.000 1.083 158 F CA 1.158 59.224 58.000 0.111 0.000 1.395 158 F CB -0.714 38.427 39.000 0.235 0.000 1.056 158 F HN 0.074 nan 8.300 nan 0.000 0.529 159 Q N 0.058 119.926 119.800 0.114 0.000 2.170 159 Q HA -0.175 4.166 4.340 0.002 0.000 0.203 159 Q C 2.351 178.308 176.000 -0.072 0.000 0.976 159 Q CA 0.966 56.797 55.803 0.047 0.000 0.858 159 Q CB -0.422 28.342 28.738 0.043 0.000 0.907 159 Q HN 0.389 nan 8.270 nan 0.000 0.433 160 R N 0.168 120.542 120.500 -0.210 0.000 2.193 160 R HA -0.039 4.302 4.340 0.002 0.000 0.229 160 R C 1.415 177.543 176.300 -0.286 0.000 1.110 160 R CA 0.609 56.513 56.100 -0.327 0.000 0.988 160 R CB 0.092 30.133 30.300 -0.431 0.000 0.871 160 R HN 0.205 nan 8.270 nan 0.000 0.458 161 L N -0.074 121.103 121.223 -0.077 0.000 2.667 161 L HA 0.165 4.506 4.340 0.002 0.000 0.232 161 L C 0.059 177.135 176.870 0.344 0.000 1.138 161 L CA -0.218 54.773 54.840 0.253 0.000 0.921 161 L CB 0.077 42.321 42.059 0.307 0.000 1.180 161 L HN 0.183 nan 8.230 nan 0.000 0.487 162 N N 0.348 119.156 118.700 0.180 0.000 2.776 162 N HA -0.154 4.587 4.740 0.002 0.000 0.249 162 N C -0.379 175.234 175.510 0.172 0.000 1.111 162 N CA 0.731 53.885 53.050 0.174 0.000 0.711 162 N CB -0.386 38.269 38.487 0.281 0.000 1.065 162 N HN 0.097 nan 8.380 nan 0.000 0.556 163 M N 0.573 120.299 119.600 0.209 0.000 2.300 163 M HA 0.332 4.813 4.480 0.002 0.000 0.348 163 M C 0.731 177.121 176.300 0.151 0.000 1.151 163 M CA -0.634 54.775 55.300 0.183 0.000 1.046 163 M CB 1.288 34.042 32.600 0.257 0.000 1.647 163 M HN 0.273 nan 8.290 nan 0.000 0.451 164 N N 1.359 120.122 118.700 0.105 0.000 2.476 164 N HA 0.215 4.956 4.740 0.002 0.000 0.287 164 N C 0.143 175.724 175.510 0.118 0.000 1.262 164 N CA -0.337 52.774 53.050 0.102 0.000 0.980 164 N CB 0.376 38.908 38.487 0.074 0.000 1.163 164 N HN 0.357 nan 8.380 nan 0.000 0.592 165 D N -0.361 120.122 120.400 0.139 0.000 2.106 165 D HA -0.201 4.440 4.640 0.002 0.000 0.191 165 D C 1.765 178.178 176.300 0.189 0.000 0.997 165 D CA 1.557 55.702 54.000 0.241 0.000 0.834 165 D CB -0.234 40.655 40.800 0.148 0.000 0.956 165 D HN 0.676 nan 8.370 nan 0.000 0.448 166 R N 0.916 121.489 120.500 0.121 0.000 2.083 166 R HA -0.160 4.181 4.340 0.002 0.000 0.237 166 R C 2.008 178.390 176.300 0.137 0.000 1.137 166 R CA 1.604 57.778 56.100 0.122 0.000 0.951 166 R CB -0.036 30.324 30.300 0.100 0.000 0.851 166 R HN 0.217 nan 8.270 nan 0.000 0.434 167 E N -0.316 119.930 120.200 0.076 0.000 2.077 167 E HA -0.159 4.192 4.350 0.002 0.000 0.193 167 E C 2.037 178.580 176.600 -0.094 0.000 0.989 167 E CA 1.506 57.917 56.400 0.019 0.000 0.800 167 E CB 0.019 29.727 29.700 0.014 0.000 0.746 167 E HN 0.170 nan 8.360 nan 0.000 0.452 168 V N 0.999 120.810 119.914 -0.172 0.000 2.295 168 V HA -0.246 3.875 4.120 0.002 0.000 0.246 168 V C 2.342 178.236 176.094 -0.332 0.000 1.049 168 V CA 1.494 63.503 62.300 -0.485 0.000 1.024 168 V CB -0.405 31.162 31.823 -0.426 0.000 0.648 168 V HN 0.142 nan 8.190 nan 0.000 0.447 169 V N 0.280 120.130 119.914 -0.106 0.000 2.427 169 V HA -0.225 3.896 4.120 0.002 0.000 0.248 169 V C 2.688 178.960 176.094 0.296 0.000 1.051 169 V CA 1.843 64.183 62.300 0.066 0.000 1.048 169 V CB -1.235 30.665 31.823 0.128 0.000 0.666 169 V HN 0.547 nan 8.190 nan 0.000 0.456 170 A N 0.016 123.042 122.820 0.343 0.000 1.865 170 A HA -0.178 4.143 4.320 0.002 0.000 0.217 170 A C 2.244 180.080 177.584 0.420 0.000 1.191 170 A CA 1.918 54.198 52.037 0.404 0.000 0.623 170 A CB -0.630 18.524 19.000 0.256 0.000 0.826 170 A HN 0.480 nan 8.150 nan 0.000 0.444 171 L N -1.917 119.361 121.223 0.093 0.000 2.079 171 L HA -0.202 4.139 4.340 0.002 0.000 0.210 171 L C 2.746 179.511 176.870 -0.174 0.000 1.081 171 L CA 1.679 56.498 54.840 -0.035 0.000 0.752 171 L CB -0.353 41.555 42.059 -0.250 0.000 0.896 171 L HN 0.424 nan 8.230 nan 0.000 0.433 172 M N -0.094 119.306 119.600 -0.335 0.000 2.374 172 M HA -0.064 4.417 4.480 0.002 0.000 0.264 172 M C 1.919 177.564 176.300 -1.092 0.000 1.067 172 M CA 1.271 56.143 55.300 -0.712 0.000 1.103 172 M CB -0.561 31.723 32.600 -0.525 0.000 1.402 172 M HN 0.154 nan 8.290 nan 0.000 0.444 173 G N -0.920 107.509 108.800 -0.618 0.000 2.586 173 G HA2 -0.071 3.890 3.960 0.002 0.000 0.215 173 G HA3 -0.071 3.890 3.960 0.002 0.000 0.215 173 G C 1.440 175.859 174.900 -0.802 0.000 1.128 173 G CA 0.740 45.293 45.100 -0.911 0.000 0.774 173 G HN 0.607 nan 8.290 nan 0.000 0.543 174 A N -0.022 122.427 122.820 -0.619 0.000 2.172 174 A HA 0.008 4.329 4.320 0.002 0.000 0.216 174 A C 1.739 178.926 177.584 -0.662 0.000 1.154 174 A CA 0.932 52.657 52.037 -0.519 0.000 0.701 174 A CB -0.611 18.245 19.000 -0.240 0.000 0.789 174 A HN 0.609 nan 8.150 nan 0.000 0.465 175 H N -1.027 117.356 119.070 -1.144 0.000 2.563 175 H HA 0.162 4.719 4.556 0.002 0.000 0.272 175 H C 2.125 176.837 175.328 -1.026 0.000 1.005 175 H CA 0.096 55.200 56.048 -1.574 0.000 1.171 175 H CB 0.188 28.577 29.762 -2.288 0.000 1.351 175 H HN 0.591 nan 8.280 nan 0.000 0.602 176 A N 0.756 123.228 122.820 -0.581 0.000 2.066 176 A HA 0.003 4.324 4.320 0.002 0.000 0.218 176 A C 0.883 178.378 177.584 -0.149 0.000 1.157 176 A CA 0.444 52.310 52.037 -0.284 0.000 0.670 176 A CB -0.089 18.679 19.000 -0.387 0.000 0.804 176 A HN 0.207 nan 8.150 nan 0.000 0.453 177 L N -0.904 120.207 121.223 -0.187 0.000 2.307 177 L HA 0.574 4.915 4.340 0.002 0.000 0.282 177 L C 1.248 178.195 176.870 0.129 0.000 1.051 177 L CA 0.113 54.935 54.840 -0.028 0.000 0.804 177 L CB 0.913 42.945 42.059 -0.044 0.000 1.197 177 L HN 0.555 nan 8.230 nan 0.000 0.431 178 G N 2.738 111.635 108.800 0.161 0.000 2.528 178 G HA2 -0.235 3.726 3.960 0.002 0.000 0.262 178 G HA3 -0.235 3.726 3.960 0.002 0.000 0.262 178 G C -0.624 174.436 174.900 0.267 0.000 1.200 178 G CA 0.366 45.595 45.100 0.214 0.000 0.951 178 G HN 1.037 nan 8.290 nan 0.000 0.566 179 K N -2.143 118.388 120.400 0.218 0.000 2.735 179 K HA 0.615 4.936 4.320 0.002 0.000 0.295 179 K C -0.364 176.012 176.600 -0.374 0.000 1.052 179 K CA -0.152 56.035 56.287 -0.166 0.000 0.853 179 K CB 0.624 32.955 32.500 -0.282 0.000 1.535 179 K HN 1.499 nan 8.250 nan 0.000 0.383 180 T N -0.860 113.318 114.554 -0.625 0.000 2.913 180 T HA 0.450 4.801 4.350 0.002 0.000 0.287 180 T C -0.683 173.736 174.700 -0.468 0.000 1.008 180 T CA -0.358 61.522 62.100 -0.367 0.000 1.067 180 T CB 0.442 69.140 68.868 -0.284 0.000 0.996 180 T HN 0.594 nan 8.240 nan 0.000 0.513 181 H N 1.351 120.413 119.070 -0.013 0.000 2.658 181 H HA 0.411 4.967 4.556 0.002 0.000 0.337 181 H C 0.604 175.931 175.328 -0.002 0.000 1.009 181 H CA -0.868 55.170 56.048 -0.017 0.000 1.231 181 H CB 1.536 31.292 29.762 -0.009 0.000 1.508 181 H HN 0.476 nan 8.280 nan 0.000 0.517 182 L N 2.363 123.622 121.223 0.060 0.000 2.021 182 L HA -0.230 4.111 4.340 0.002 0.000 0.215 182 L C 1.851 178.738 176.870 0.029 0.000 1.074 182 L CA 1.889 56.739 54.840 0.015 0.000 0.760 182 L CB -0.179 41.868 42.059 -0.019 0.000 0.889 182 L HN 0.557 nan 8.230 nan 0.000 0.433 183 K N -0.771 119.658 120.400 0.049 0.000 2.097 183 K HA -0.125 4.196 4.320 0.002 0.000 0.206 183 K C 1.823 178.449 176.600 0.044 0.000 1.049 183 K CA 1.396 57.703 56.287 0.034 0.000 0.933 183 K CB -0.394 32.122 32.500 0.027 0.000 0.717 183 K HN 0.448 nan 8.250 nan 0.000 0.442 184 N N 0.420 119.167 118.700 0.080 0.000 2.197 184 N HA -0.084 4.657 4.740 0.002 0.000 0.184 184 N C 1.812 177.386 175.510 0.105 0.000 1.030 184 N CA 1.717 54.816 53.050 0.081 0.000 0.851 184 N CB -0.076 38.468 38.487 0.096 0.000 1.003 184 N HN 0.205 nan 8.380 nan 0.000 0.430 185 S N -2.086 113.700 115.700 0.144 0.000 2.559 185 S HA 0.368 4.839 4.470 0.002 0.000 0.226 185 S C 1.230 175.897 174.600 0.111 0.000 1.030 185 S CA 0.410 58.725 58.200 0.192 0.000 0.956 185 S CB 0.885 64.272 63.200 0.312 0.000 0.900 185 S HN 0.396 nan 8.310 nan 0.000 0.510 186 G N 0.395 109.187 108.800 -0.012 0.000 2.137 186 G HA2 -0.219 3.742 3.960 0.002 0.000 0.237 186 G HA3 -0.219 3.742 3.960 0.002 0.000 0.237 186 G C -0.324 174.269 174.900 -0.512 0.000 1.002 186 G CA 0.290 45.251 45.100 -0.232 0.000 0.702 186 G HN 0.569 nan 8.290 nan 0.000 0.515 187 Y N -0.943 119.340 120.300 -0.028 0.000 2.545 187 Y HA 0.729 5.280 4.550 0.002 0.000 0.348 187 Y C 0.016 175.847 175.900 -0.114 0.000 1.002 187 Y CA -1.245 56.811 58.100 -0.073 0.000 1.039 187 Y CB 2.315 40.725 38.460 -0.084 0.000 1.271 187 Y HN 0.106 nan 8.280 nan 0.000 0.467 188 E N 0.879 121.082 120.200 0.005 0.000 2.278 188 E HA 0.693 5.044 4.350 0.002 0.000 0.272 188 E C -0.617 175.895 176.600 -0.147 0.000 0.890 188 E CA -0.254 56.090 56.400 -0.093 0.000 0.770 188 E CB 1.840 31.498 29.700 -0.069 0.000 1.212 188 E HN 0.925 nan 8.360 nan 0.000 0.415 189 G N 3.869 112.530 108.800 -0.233 0.000 2.406 189 G HA2 0.077 4.038 3.960 0.002 0.000 0.680 189 G HA3 0.077 4.038 3.960 0.002 0.000 0.680 189 G C -3.053 171.624 174.900 -0.372 0.000 1.338 189 G CA -0.493 44.476 45.100 -0.218 0.000 0.941 189 G HN 0.471 nan 8.290 nan 0.000 0.633 190 P HA 0.335 nan 4.420 nan 0.000 0.280 190 P C 0.358 177.569 177.300 -0.147 0.000 1.272 190 P CA -0.621 62.368 63.100 -0.185 0.000 0.819 190 P CB 1.151 32.860 31.700 0.014 0.000 1.122 191 W N 0.119 121.415 121.300 -0.007 0.000 2.863 191 W HA 0.211 4.872 4.660 0.001 0.000 0.258 191 W C 0.969 177.335 176.519 -0.254 0.000 1.298 191 W CA 0.726 58.073 57.345 0.003 0.000 1.451 191 W CB 0.359 29.857 29.460 0.063 0.000 1.107 191 W HN 0.504 nan 8.180 nan 0.000 0.641 192 G N -1.580 107.074 108.800 -0.243 0.000 2.634 192 G HA2 0.416 4.377 3.960 0.002 0.000 0.309 192 G HA3 0.416 4.377 3.960 0.002 0.000 0.309 192 G C -0.009 174.653 174.900 -0.396 0.000 1.299 192 G CA 0.058 44.671 45.100 -0.811 0.000 0.798 192 G HN -0.131 nan 8.290 nan 0.000 0.490 193 A N -1.021 121.662 122.820 -0.229 0.000 1.956 193 A HA 0.632 4.953 4.320 0.002 0.000 0.212 193 A C 1.681 179.284 177.584 0.032 0.000 1.188 193 A CA 1.784 53.845 52.037 0.040 0.000 0.675 193 A CB -0.285 18.792 19.000 0.128 0.000 0.845 193 A HN 1.857 nan 8.150 nan 0.000 0.455 194 A N 1.363 124.185 122.820 0.004 0.000 3.094 194 A HA 0.376 4.697 4.320 0.002 0.000 0.288 194 A C 0.350 177.944 177.584 0.018 0.000 1.519 194 A CA -0.099 51.952 52.037 0.024 0.000 1.227 194 A CB -1.451 17.561 19.000 0.020 0.000 1.175 194 A HN 0.704 nan 8.150 nan 0.000 0.568 195 N N 0.286 119.008 118.700 0.036 0.000 2.434 195 N HA -0.054 4.687 4.740 0.002 0.000 0.196 195 N C 0.343 175.886 175.510 0.055 0.000 1.183 195 N CA 0.387 53.465 53.050 0.047 0.000 0.849 195 N CB 0.066 38.599 38.487 0.077 0.000 0.992 195 N HN 0.474 nan 8.380 nan 0.000 0.460 196 N N -0.539 118.195 118.700 0.056 0.000 2.307 196 N HA 0.084 4.825 4.740 0.002 0.000 0.248 196 N C -1.326 174.227 175.510 0.072 0.000 1.322 196 N CA -0.377 52.714 53.050 0.067 0.000 0.861 196 N CB 0.452 38.986 38.487 0.078 0.000 1.303 196 N HN -0.015 nan 8.380 nan 0.000 0.498 197 V N 1.064 121.017 119.914 0.065 0.000 2.588 197 V HA 0.446 4.567 4.120 0.002 0.000 0.304 197 V C -1.039 175.109 176.094 0.091 0.000 1.042 197 V CA -0.963 61.392 62.300 0.092 0.000 0.877 197 V CB 1.697 33.572 31.823 0.086 0.000 0.996 197 V HN 0.151 nan 8.190 nan 0.000 0.425 198 F N 5.146 125.088 119.950 -0.013 0.000 2.438 198 F HA 0.592 5.120 4.527 0.001 0.000 0.360 198 F C 0.666 176.562 175.800 0.160 0.000 1.118 198 F CA 0.430 58.397 58.000 -0.056 0.000 1.164 198 F CB 0.631 39.476 39.000 -0.258 0.000 1.131 198 F HN 0.745 nan 8.300 nan 0.000 0.527 199 T N 0.950 115.472 114.554 -0.053 0.000 2.778 199 T HA 0.254 4.605 4.350 0.002 0.000 0.293 199 T C 0.181 174.946 174.700 0.107 0.000 1.144 199 T CA -0.658 61.562 62.100 0.200 0.000 1.010 199 T CB 1.157 70.081 68.868 0.093 0.000 1.325 199 T HN 0.602 nan 8.240 nan 0.000 0.515 200 N N -0.606 118.178 118.700 0.140 0.000 2.362 200 N HA 0.076 4.817 4.740 0.002 0.000 0.211 200 N C 1.193 176.675 175.510 -0.047 0.000 1.170 200 N CA -0.301 52.745 53.050 -0.006 0.000 0.828 200 N CB 0.143 38.689 38.487 0.097 0.000 1.034 200 N HN 0.716 nan 8.380 nan 0.000 0.475 201 E N 0.858 121.010 120.200 -0.080 0.000 2.097 201 E HA -0.287 4.064 4.350 0.002 0.000 0.196 201 E C 1.262 177.800 176.600 -0.104 0.000 1.000 201 E CA 1.269 57.624 56.400 -0.076 0.000 0.804 201 E CB -0.157 29.490 29.700 -0.088 0.000 0.740 201 E HN 0.586 nan 8.360 nan 0.000 0.454 202 F N 0.284 119.987 119.950 -0.411 0.000 2.091 202 F HA -0.304 4.224 4.527 0.001 0.000 0.299 202 F C 1.693 177.241 175.800 -0.420 0.000 1.103 202 F CA 1.845 59.548 58.000 -0.496 0.000 1.228 202 F CB -0.436 38.092 39.000 -0.787 0.000 0.984 202 F HN 0.093 nan 8.300 nan 0.000 0.477 203 Y N 0.271 120.499 120.300 -0.120 0.000 2.200 203 Y HA -0.156 4.395 4.550 0.002 0.000 0.290 203 Y C 2.387 178.204 175.900 -0.138 0.000 1.137 203 Y CA 1.380 59.372 58.100 -0.180 0.000 1.163 203 Y CB -1.048 37.353 38.460 -0.098 0.000 0.988 203 Y HN 0.080 nan 8.280 nan 0.000 0.518 204 L N -0.240 121.006 121.223 0.038 0.000 2.017 204 L HA -0.258 4.083 4.340 0.002 0.000 0.208 204 L C 2.110 179.007 176.870 0.046 0.000 1.073 204 L CA 1.369 56.230 54.840 0.035 0.000 0.745 204 L CB -0.589 41.487 42.059 0.029 0.000 0.894 204 L HN 0.232 nan 8.230 nan 0.000 0.432 205 N N 0.205 118.928 118.700 0.038 0.000 2.043 205 N HA -0.196 4.545 4.740 0.002 0.000 0.193 205 N C 1.919 177.642 175.510 0.356 0.000 1.037 205 N CA 1.194 54.355 53.050 0.185 0.000 0.851 205 N CB -0.523 38.077 38.487 0.187 0.000 1.027 205 N HN 0.219 nan 8.380 nan 0.000 0.422 206 L N 0.570 121.848 121.223 0.091 0.000 1.990 206 L HA -0.196 4.145 4.340 0.002 0.000 0.213 206 L C 2.093 179.070 176.870 0.179 0.000 1.072 206 L CA 1.287 56.139 54.840 0.020 0.000 0.755 206 L CB -0.341 41.474 42.059 -0.406 0.000 0.889 206 L HN 0.196 nan 8.230 nan 0.000 0.432 207 L N -1.090 120.178 121.223 0.076 0.000 2.072 207 L HA -0.179 4.162 4.340 0.002 0.000 0.205 207 L C 1.862 178.786 176.870 0.089 0.000 1.079 207 L CA 1.572 56.449 54.840 0.061 0.000 0.752 207 L CB -0.474 41.598 42.059 0.022 0.000 0.906 207 L HN 0.373 nan 8.230 nan 0.000 0.436 208 N N -1.417 117.333 118.700 0.085 0.000 2.415 208 N HA -0.010 4.731 4.740 0.002 0.000 0.176 208 N C 0.296 175.783 175.510 -0.039 0.000 1.042 208 N CA -0.031 53.037 53.050 0.030 0.000 0.902 208 N CB 0.419 38.920 38.487 0.023 0.000 0.986 208 N HN 0.221 nan 8.380 nan 0.000 0.447 209 E N 1.066 121.201 120.200 -0.109 0.000 2.314 209 E HA 0.054 4.405 4.350 0.002 0.000 0.262 209 E C -0.856 175.436 176.600 -0.514 0.000 1.093 209 E CA -0.100 56.014 56.400 -0.478 0.000 0.908 209 E CB 0.888 29.962 29.700 -1.043 0.000 1.091 209 E HN 0.028 nan 8.360 nan 0.000 0.425 210 D N 1.420 121.530 120.400 -0.484 0.000 2.467 210 D HA 0.148 4.789 4.640 0.002 0.000 0.220 210 D C -1.169 174.988 176.300 -0.238 0.000 1.103 210 D CA -0.442 53.423 54.000 -0.226 0.000 0.886 210 D CB -0.058 40.663 40.800 -0.131 0.000 1.025 210 D HN 0.174 nan 8.370 nan 0.000 0.514 211 W N 4.058 125.444 121.300 0.145 0.000 2.315 211 W HA 0.380 5.041 4.660 0.002 0.000 0.316 211 W C 0.576 177.270 176.519 0.292 0.000 1.211 211 W CA -0.831 56.647 57.345 0.222 0.000 1.201 211 W CB 1.036 30.639 29.460 0.239 0.000 1.184 211 W HN -0.065 nan 8.180 nan 0.000 0.544 212 K N 3.978 124.658 120.400 0.467 0.000 2.376 212 K HA 0.388 4.709 4.320 0.002 0.000 0.257 212 K C -1.144 175.465 176.600 0.015 0.000 0.939 212 K CA -1.368 55.061 56.287 0.236 0.000 0.809 212 K CB 2.406 34.960 32.500 0.091 0.000 1.121 212 K HN 0.376 nan 8.250 nan 0.000 0.425 213 L N 2.947 123.943 121.223 -0.378 0.000 2.360 213 L HA 0.150 4.491 4.340 0.002 0.000 0.276 213 L C -0.343 176.286 176.870 -0.401 0.000 1.121 213 L CA 0.961 55.284 54.840 -0.862 0.000 0.845 213 L CB 0.179 41.505 42.059 -1.221 0.000 1.143 213 L HN 0.600 nan 8.230 nan 0.000 0.452 214 E N 3.630 123.631 120.200 -0.331 0.000 2.433 214 E HA 0.417 4.768 4.350 0.002 0.000 0.278 214 E C -1.348 175.148 176.600 -0.174 0.000 0.976 214 E CA -1.166 55.118 56.400 -0.192 0.000 0.793 214 E CB 1.644 31.276 29.700 -0.113 0.000 1.311 214 E HN 0.390 nan 8.360 nan 0.000 0.460 215 K N 1.397 121.718 120.400 -0.130 0.000 2.130 215 K HA 0.239 4.560 4.320 0.002 0.000 0.268 215 K C -0.187 176.354 176.600 -0.097 0.000 0.983 215 K CA -0.523 55.696 56.287 -0.114 0.000 0.893 215 K CB 0.688 33.128 32.500 -0.100 0.000 1.066 215 K HN 0.446 nan 8.250 nan 0.000 0.450 216 N N 0.353 118.989 118.700 -0.107 0.000 2.538 216 N HA 0.112 4.853 4.740 0.002 0.000 0.292 216 N C -0.015 175.435 175.510 -0.099 0.000 1.262 216 N CA -0.452 52.540 53.050 -0.098 0.000 0.976 216 N CB 0.366 38.789 38.487 -0.106 0.000 1.161 216 N HN 0.333 nan 8.380 nan 0.000 0.598 217 D N -1.074 119.274 120.400 -0.088 0.000 2.350 217 D HA -0.033 4.608 4.640 0.002 0.000 0.216 217 D C 0.920 177.167 176.300 -0.088 0.000 0.968 217 D CA 1.019 54.974 54.000 -0.076 0.000 0.894 217 D CB -0.275 40.489 40.800 -0.060 0.000 0.909 217 D HN 0.675 nan 8.370 nan 0.000 0.520 218 A N 0.404 123.150 122.820 -0.123 0.000 2.308 218 A HA 0.072 4.393 4.320 0.002 0.000 0.217 218 A C 0.857 178.358 177.584 -0.139 0.000 1.216 218 A CA 0.255 52.211 52.037 -0.135 0.000 0.864 218 A CB -0.313 18.582 19.000 -0.176 0.000 0.902 218 A HN 0.186 nan 8.150 nan 0.000 0.499 219 N N -0.455 118.165 118.700 -0.133 0.000 2.815 219 N HA -0.130 4.611 4.740 0.002 0.000 0.248 219 N C -1.236 174.193 175.510 -0.134 0.000 1.110 219 N CA 0.796 53.778 53.050 -0.114 0.000 0.699 219 N CB -1.605 36.831 38.487 -0.086 0.000 1.040 219 N HN 0.497 nan 8.380 nan 0.000 0.555 220 N N 0.682 119.268 118.700 -0.189 0.000 2.335 220 N HA 0.292 5.033 4.740 0.002 0.000 0.304 220 N C -0.828 174.600 175.510 -0.136 0.000 1.135 220 N CA -0.396 52.527 53.050 -0.210 0.000 0.817 220 N CB 1.115 39.301 38.487 -0.501 0.000 1.294 220 N HN 0.248 nan 8.380 nan 0.000 0.497 221 E N 0.968 121.132 120.200 -0.059 0.000 2.283 221 E HA 0.209 4.560 4.350 0.002 0.000 0.278 221 E C -0.327 176.281 176.600 0.014 0.000 1.027 221 E CA -0.414 55.935 56.400 -0.085 0.000 0.843 221 E CB 1.182 30.794 29.700 -0.145 0.000 1.062 221 E HN 0.467 nan 8.360 nan 0.000 0.401 222 Q N 1.544 121.294 119.800 -0.083 0.000 2.456 222 Q HA 0.401 4.742 4.340 0.002 0.000 0.284 222 Q C -1.446 174.440 176.000 -0.189 0.000 1.061 222 Q CA -1.043 54.753 55.803 -0.011 0.000 0.799 222 Q CB 1.089 29.924 28.738 0.163 0.000 1.445 222 Q HN 0.410 nan 8.270 nan 0.000 0.411 223 W N 1.582 122.843 121.300 -0.065 0.000 2.322 223 W HA 0.392 5.053 4.660 0.001 0.000 0.307 223 W C -0.673 175.965 176.519 0.198 0.000 1.220 223 W CA 0.157 57.475 57.345 -0.046 0.000 1.210 223 W CB 1.091 30.356 29.460 -0.326 0.000 1.223 223 W HN 0.461 nan 8.180 nan 0.000 0.511 224 D N 1.600 122.263 120.400 0.438 0.000 2.350 224 D HA 0.339 4.980 4.640 0.002 0.000 0.245 224 D C -0.341 176.146 176.300 0.312 0.000 1.036 224 D CA -0.434 53.779 54.000 0.354 0.000 0.848 224 D CB 1.992 42.867 40.800 0.126 0.000 1.307 224 D HN 0.217 nan 8.370 nan 0.000 0.469 225 S N -0.414 115.343 115.700 0.094 0.000 2.621 225 S HA 0.338 4.809 4.470 0.002 0.000 0.302 225 S C 0.990 175.442 174.600 -0.247 0.000 1.093 225 S CA -0.615 57.400 58.200 -0.309 0.000 1.017 225 S CB 1.948 64.617 63.200 -0.884 0.000 1.077 225 S HN 0.223 nan 8.310 nan 0.000 0.517 226 K N 0.795 121.031 120.400 -0.273 0.000 2.365 226 K HA 0.101 4.422 4.320 0.002 0.000 0.199 226 K C 1.671 178.102 176.600 -0.282 0.000 1.045 226 K CA 1.243 57.400 56.287 -0.216 0.000 0.962 226 K CB -1.564 30.835 32.500 -0.168 0.000 0.759 226 K HN 0.570 nan 8.250 nan 0.000 0.469 227 S N 0.164 115.598 115.700 -0.444 0.000 2.555 227 S HA 0.252 4.723 4.470 0.002 0.000 0.230 227 S C 1.484 175.677 174.600 -0.679 0.000 0.978 227 S CA 0.662 58.488 58.200 -0.623 0.000 0.934 227 S CB -0.243 62.375 63.200 -0.969 0.000 0.766 227 S HN 0.990 nan 8.310 nan 0.000 0.533 228 G N 0.324 108.846 108.800 -0.463 0.000 2.131 228 G HA2 -0.221 3.740 3.960 0.002 0.000 0.223 228 G HA3 -0.221 3.740 3.960 0.002 0.000 0.223 228 G C -0.211 174.630 174.900 -0.098 0.000 0.990 228 G CA -0.218 44.735 45.100 -0.246 0.000 0.671 228 G HN 0.406 nan 8.290 nan 0.000 0.521 229 Y N -0.363 119.949 120.300 0.020 0.000 2.458 229 Y HA 0.852 5.403 4.550 0.001 0.000 0.322 229 Y C 0.612 176.676 175.900 0.274 0.000 1.259 229 Y CA -1.294 56.882 58.100 0.127 0.000 1.302 229 Y CB 1.099 39.699 38.460 0.233 0.000 1.314 229 Y HN 0.429 nan 8.280 nan 0.000 0.509 230 M N 0.715 120.571 119.600 0.427 0.000 2.631 230 M HA 0.812 5.293 4.480 0.002 0.000 0.288 230 M C -1.638 174.683 176.300 0.034 0.000 1.260 230 M CA -0.827 54.631 55.300 0.263 0.000 0.842 230 M CB 2.481 35.082 32.600 0.002 0.000 1.743 230 M HN 0.308 nan 8.290 nan 0.000 0.461 231 M N 2.366 121.932 119.600 -0.056 0.000 2.386 231 M HA 0.555 5.036 4.480 0.002 0.000 0.293 231 M C -1.399 174.941 176.300 0.068 0.000 1.120 231 M CA -0.391 54.863 55.300 -0.077 0.000 0.909 231 M CB 2.189 34.520 32.600 -0.448 0.000 1.661 231 M HN 0.895 nan 8.290 nan 0.000 0.452 232 L N 3.076 124.365 121.223 0.111 0.000 2.453 232 L HA 0.242 4.583 4.340 0.002 0.000 0.261 232 L C -1.327 175.661 176.870 0.196 0.000 1.179 232 L CA -1.485 53.358 54.840 0.006 0.000 0.813 232 L CB 0.173 42.178 42.059 -0.091 0.000 1.110 232 L HN 0.432 nan 8.230 nan 0.000 0.466 233 P HA -0.198 nan 4.420 nan 0.000 0.216 233 P C 1.472 178.923 177.300 0.253 0.000 1.154 233 P CA 1.763 65.058 63.100 0.326 0.000 0.865 233 P CB 0.001 31.835 31.700 0.225 0.000 0.789 234 T N -4.110 110.552 114.554 0.180 0.000 2.867 234 T HA -0.128 4.223 4.350 0.002 0.000 0.268 234 T C 1.449 176.250 174.700 0.168 0.000 1.057 234 T CA 1.267 63.480 62.100 0.188 0.000 1.136 234 T CB -0.932 68.053 68.868 0.195 0.000 0.874 234 T HN 0.037 nan 8.240 nan 0.000 0.466 235 D N 0.295 120.812 120.400 0.194 0.000 2.103 235 D HA -0.041 4.600 4.640 0.002 0.000 0.199 235 D C 1.739 178.038 176.300 -0.003 0.000 0.978 235 D CA 1.025 55.147 54.000 0.204 0.000 0.829 235 D CB -0.544 40.449 40.800 0.322 0.000 0.981 235 D HN 0.416 nan 8.370 nan 0.000 0.464 236 Y N 1.975 122.159 120.300 -0.193 0.000 2.256 236 Y HA -0.246 4.305 4.550 0.002 0.000 0.288 236 Y C 2.487 178.237 175.900 -0.250 0.000 1.155 236 Y CA 1.655 59.492 58.100 -0.437 0.000 1.203 236 Y CB -0.321 37.678 38.460 -0.768 0.000 0.980 236 Y HN -0.044 nan 8.280 nan 0.000 0.530 237 S N -0.342 115.355 115.700 -0.005 0.000 2.440 237 S HA -0.188 4.283 4.470 0.002 0.000 0.238 237 S C 1.840 176.449 174.600 0.015 0.000 1.010 237 S CA 1.352 59.581 58.200 0.048 0.000 0.972 237 S CB -0.934 62.372 63.200 0.178 0.000 0.774 237 S HN 0.554 nan 8.310 nan 0.000 0.501 238 L N 1.107 122.285 121.223 -0.075 0.000 2.362 238 L HA 0.098 4.439 4.340 0.002 0.000 0.219 238 L C 2.272 179.105 176.870 -0.062 0.000 1.134 238 L CA 1.170 55.981 54.840 -0.049 0.000 0.807 238 L CB -0.668 41.330 42.059 -0.101 0.000 0.927 238 L HN 0.567 nan 8.230 nan 0.000 0.447 239 I N -4.592 115.822 120.570 -0.260 0.000 3.956 239 I HA 0.011 4.182 4.170 0.002 0.000 0.333 239 I C 1.739 177.715 176.117 -0.235 0.000 1.302 239 I CA 0.229 61.360 61.300 -0.281 0.000 1.122 239 I CB -0.011 37.733 38.000 -0.427 0.000 1.013 239 I HN 0.186 nan 8.210 nan 0.000 0.405 240 Q N 1.181 120.869 119.800 -0.186 0.000 2.302 240 Q HA 0.097 4.438 4.340 0.002 0.000 0.202 240 Q C 0.450 176.443 176.000 -0.012 0.000 0.936 240 Q CA 0.452 56.204 55.803 -0.085 0.000 0.886 240 Q CB 0.354 29.078 28.738 -0.025 0.000 0.986 240 Q HN 0.499 nan 8.270 nan 0.000 0.487 241 D N 0.752 121.170 120.400 0.031 0.000 2.249 241 D HA 0.062 4.703 4.640 0.002 0.000 0.246 241 D C -1.881 174.405 176.300 -0.023 0.000 1.114 241 D CA -2.187 51.815 54.000 0.003 0.000 0.854 241 D CB 1.768 42.565 40.800 -0.006 0.000 1.132 241 D HN -0.124 nan 8.370 nan 0.000 0.461 242 P HA -0.116 nan 4.420 nan 0.000 0.216 242 P C 0.964 178.227 177.300 -0.063 0.000 1.153 242 P CA 1.260 64.329 63.100 -0.052 0.000 0.848 242 P CB 0.507 32.177 31.700 -0.050 0.000 0.787 243 K N -1.380 118.951 120.400 -0.115 0.000 2.025 243 K HA -0.139 4.182 4.320 0.002 0.000 0.207 243 K C 2.341 178.918 176.600 -0.039 0.000 1.049 243 K CA 1.324 57.538 56.287 -0.122 0.000 0.933 243 K CB -0.741 31.628 32.500 -0.218 0.000 0.714 243 K HN 0.063 nan 8.250 nan 0.000 0.438 244 Y N 0.752 121.028 120.300 -0.039 0.000 2.181 244 Y HA -0.171 4.380 4.550 0.002 0.000 0.288 244 Y C 2.104 177.960 175.900 -0.074 0.000 1.146 244 Y CA 0.529 58.602 58.100 -0.044 0.000 1.164 244 Y CB -0.844 37.605 38.460 -0.019 0.000 0.982 244 Y HN 0.014 nan 8.280 nan 0.000 0.515 245 L N 0.290 121.562 121.223 0.081 0.000 2.079 245 L HA -0.209 4.132 4.340 0.002 0.000 0.210 245 L C 2.410 179.250 176.870 -0.050 0.000 1.081 245 L CA 2.293 57.127 54.840 -0.009 0.000 0.752 245 L CB -1.129 40.908 42.059 -0.037 0.000 0.896 245 L HN 0.274 nan 8.230 nan 0.000 0.433 246 S N -0.961 114.706 115.700 -0.055 0.000 2.402 246 S HA -0.131 4.340 4.470 0.002 0.000 0.229 246 S C 2.006 176.510 174.600 -0.159 0.000 1.021 246 S CA 1.395 59.540 58.200 -0.090 0.000 0.974 246 S CB -0.951 62.203 63.200 -0.076 0.000 0.800 246 S HN 0.550 nan 8.310 nan 0.000 0.484 247 I N 1.352 121.817 120.570 -0.174 0.000 2.286 247 I HA -0.072 4.099 4.170 0.002 0.000 0.245 247 I C 2.442 178.244 176.117 -0.525 0.000 1.104 247 I CA 0.608 61.674 61.300 -0.389 0.000 1.397 247 I CB -0.576 37.246 38.000 -0.296 0.000 1.072 247 I HN 0.159 nan 8.210 nan 0.000 0.417 248 V N 1.336 121.099 119.914 -0.251 0.000 2.282 248 V HA -0.340 3.781 4.120 0.002 0.000 0.249 248 V C 2.509 178.480 176.094 -0.205 0.000 1.057 248 V CA 2.032 64.233 62.300 -0.164 0.000 1.032 248 V CB -0.720 31.113 31.823 0.018 0.000 0.645 248 V HN 0.403 nan 8.190 nan 0.000 0.447 249 K N -0.420 119.883 120.400 -0.162 0.000 2.063 249 K HA -0.243 4.078 4.320 0.002 0.000 0.208 249 K C 2.251 178.763 176.600 -0.146 0.000 1.048 249 K CA 1.793 58.008 56.287 -0.119 0.000 0.928 249 K CB -0.221 32.223 32.500 -0.093 0.000 0.713 249 K HN 0.536 nan 8.250 nan 0.000 0.442 250 E N -0.119 119.935 120.200 -0.243 0.000 2.077 250 E HA -0.202 4.149 4.350 0.002 0.000 0.193 250 E C 1.659 178.184 176.600 -0.125 0.000 0.989 250 E CA 1.219 57.487 56.400 -0.220 0.000 0.800 250 E CB 0.053 29.547 29.700 -0.344 0.000 0.746 250 E HN 0.305 nan 8.360 nan 0.000 0.452 251 Y N -0.253 119.883 120.300 -0.274 0.000 2.314 251 Y HA 0.023 4.574 4.550 0.002 0.000 0.293 251 Y C 2.200 177.955 175.900 -0.241 0.000 1.129 251 Y CA 0.671 58.536 58.100 -0.392 0.000 1.201 251 Y CB -0.891 36.925 38.460 -1.074 0.000 0.999 251 Y HN 0.112 nan 8.280 nan 0.000 0.541 252 A N 0.027 122.831 122.820 -0.027 0.000 2.015 252 A HA -0.145 4.176 4.320 0.002 0.000 0.219 252 A C 2.066 179.666 177.584 0.026 0.000 1.163 252 A CA 1.542 53.606 52.037 0.045 0.000 0.646 252 A CB -0.455 18.571 19.000 0.044 0.000 0.806 252 A HN 0.423 nan 8.150 nan 0.000 0.448 253 N N -0.763 117.942 118.700 0.008 0.000 2.409 253 N HA -0.028 4.713 4.740 0.002 0.000 0.174 253 N C -0.628 174.893 175.510 0.019 0.000 1.037 253 N CA 0.677 53.731 53.050 0.006 0.000 0.898 253 N CB 0.330 38.809 38.487 -0.012 0.000 1.010 253 N HN 0.382 nan 8.380 nan 0.000 0.445 254 D N 0.192 120.621 120.400 0.049 0.000 2.386 254 D HA 0.066 4.707 4.640 0.002 0.000 0.247 254 D C 0.522 176.879 176.300 0.095 0.000 1.336 254 D CA -0.271 53.763 54.000 0.057 0.000 0.976 254 D CB 1.221 42.060 40.800 0.066 0.000 1.257 254 D HN -0.081 nan 8.370 nan 0.000 0.570 255 Q N 2.494 122.303 119.800 0.016 0.000 2.170 255 Q HA -0.181 4.160 4.340 0.002 0.000 0.203 255 Q C 0.842 176.742 176.000 -0.166 0.000 0.976 255 Q CA 1.690 57.464 55.803 -0.048 0.000 0.858 255 Q CB 0.265 28.871 28.738 -0.221 0.000 0.907 255 Q HN 0.481 nan 8.270 nan 0.000 0.433 256 D N 0.197 120.520 120.400 -0.128 0.000 2.097 256 D HA -0.211 4.430 4.640 0.002 0.000 0.195 256 D C 1.798 178.137 176.300 0.065 0.000 0.989 256 D CA 1.494 55.450 54.000 -0.074 0.000 0.827 256 D CB -0.035 40.742 40.800 -0.039 0.000 0.966 256 D HN 0.047 nan 8.370 nan 0.000 0.456 257 K N -0.300 120.169 120.400 0.114 0.000 2.032 257 K HA -0.144 4.177 4.320 0.002 0.000 0.209 257 K C 2.022 178.750 176.600 0.214 0.000 1.048 257 K CA 1.208 57.610 56.287 0.191 0.000 0.927 257 K CB -1.117 31.525 32.500 0.238 0.000 0.712 257 K HN 0.272 nan 8.250 nan 0.000 0.441 258 F N 0.258 120.202 119.950 -0.009 0.000 2.095 258 F HA -0.141 4.387 4.527 0.001 0.000 0.298 258 F C 1.664 177.507 175.800 0.073 0.000 1.104 258 F CA 1.386 59.162 58.000 -0.373 0.000 1.232 258 F CB -0.643 38.148 39.000 -0.349 0.000 0.987 258 F HN -0.006 nan 8.300 nan 0.000 0.475 259 F N 1.284 121.030 119.950 -0.340 0.000 2.095 259 F HA -0.142 4.386 4.527 0.001 0.000 0.298 259 F C 2.439 178.133 175.800 -0.177 0.000 1.104 259 F CA 1.630 59.422 58.000 -0.347 0.000 1.232 259 F CB -1.279 37.638 39.000 -0.139 0.000 0.987 259 F HN -0.006 nan 8.300 nan 0.000 0.475 260 K N -0.086 120.382 120.400 0.113 0.000 2.026 260 K HA -0.181 4.140 4.320 0.002 0.000 0.208 260 K C 1.758 178.384 176.600 0.043 0.000 1.048 260 K CA 1.756 58.085 56.287 0.071 0.000 0.929 260 K CB -0.281 32.268 32.500 0.082 0.000 0.713 260 K HN 0.094 nan 8.250 nan 0.000 0.439 261 D N 0.037 120.469 120.400 0.053 0.000 2.117 261 D HA -0.146 4.495 4.640 0.002 0.000 0.198 261 D C 1.609 177.920 176.300 0.019 0.000 0.982 261 D CA 0.802 54.844 54.000 0.070 0.000 0.828 261 D CB -0.212 40.696 40.800 0.179 0.000 0.967 261 D HN 0.071 nan 8.370 nan 0.000 0.464 262 F N 1.191 121.017 119.950 -0.208 0.000 2.102 262 F HA -0.223 4.305 4.527 0.002 0.000 0.298 262 F C 2.554 178.280 175.800 -0.123 0.000 1.105 262 F CA 1.569 59.433 58.000 -0.228 0.000 1.239 262 F CB -0.337 38.342 39.000 -0.535 0.000 0.991 262 F HN -0.134 nan 8.300 nan 0.000 0.474 263 S N 0.003 115.697 115.700 -0.009 0.000 2.353 263 S HA -0.262 4.209 4.470 0.002 0.000 0.222 263 S C 2.126 176.691 174.600 -0.059 0.000 1.035 263 S CA 1.919 60.107 58.200 -0.021 0.000 1.025 263 S CB -0.380 62.816 63.200 -0.008 0.000 0.902 263 S HN 0.479 nan 8.310 nan 0.000 0.440 264 K N 0.716 121.085 120.400 -0.052 0.000 2.026 264 K HA 0.013 4.334 4.320 0.002 0.000 0.208 264 K C 2.452 179.008 176.600 -0.075 0.000 1.048 264 K CA 1.241 57.498 56.287 -0.050 0.000 0.929 264 K CB -0.436 32.051 32.500 -0.022 0.000 0.713 264 K HN 0.441 nan 8.250 nan 0.000 0.439 265 A N 0.763 123.519 122.820 -0.106 0.000 1.933 265 A HA -0.174 4.147 4.320 0.002 0.000 0.218 265 A C 1.998 179.504 177.584 -0.130 0.000 1.175 265 A CA 1.195 53.164 52.037 -0.114 0.000 0.628 265 A CB -0.620 18.305 19.000 -0.126 0.000 0.814 265 A HN 0.323 nan 8.150 nan 0.000 0.444 266 F N 0.614 120.280 119.950 -0.472 0.000 2.146 266 F HA -0.074 4.454 4.527 0.002 0.000 0.298 266 F C 2.203 177.901 175.800 -0.170 0.000 1.096 266 F CA 1.803 59.543 58.000 -0.433 0.000 1.275 266 F CB -0.373 38.175 39.000 -0.754 0.000 1.008 266 F HN 0.450 nan 8.300 nan 0.000 0.480 267 E N 0.358 120.481 120.200 -0.129 0.000 2.051 267 E HA -0.301 4.050 4.350 0.002 0.000 0.192 267 E C 2.376 178.881 176.600 -0.159 0.000 0.991 267 E CA 1.581 57.893 56.400 -0.147 0.000 0.799 267 E CB -0.287 29.359 29.700 -0.090 0.000 0.748 267 E HN 0.414 nan 8.360 nan 0.000 0.449 268 K N 0.374 120.703 120.400 -0.119 0.000 2.044 268 K HA -0.222 4.099 4.320 0.002 0.000 0.210 268 K C 2.341 178.869 176.600 -0.120 0.000 1.049 268 K CA 1.533 57.759 56.287 -0.102 0.000 0.927 268 K CB -0.311 32.153 32.500 -0.059 0.000 0.713 268 K HN 0.201 nan 8.250 nan 0.000 0.443 269 L N 1.457 122.624 121.223 -0.095 0.000 2.043 269 L HA -0.164 4.177 4.340 0.002 0.000 0.212 269 L C 1.947 178.746 176.870 -0.118 0.000 1.075 269 L CA 1.646 56.461 54.840 -0.041 0.000 0.752 269 L CB -0.258 41.826 42.059 0.041 0.000 0.891 269 L HN 0.260 nan 8.230 nan 0.000 0.432 270 L N -1.111 119.988 121.223 -0.208 0.000 2.291 270 L HA -0.078 4.263 4.340 0.002 0.000 0.214 270 L C 1.890 178.682 176.870 -0.130 0.000 1.120 270 L CA 0.865 55.597 54.840 -0.180 0.000 0.799 270 L CB -0.367 41.548 42.059 -0.241 0.000 0.925 270 L HN 0.368 nan 8.230 nan 0.000 0.446 271 E N -1.050 119.062 120.200 -0.147 0.000 2.498 271 E HA 0.063 4.414 4.350 0.002 0.000 0.203 271 E C -0.021 176.428 176.600 -0.251 0.000 1.013 271 E CA -0.389 55.958 56.400 -0.089 0.000 0.927 271 E CB 0.408 30.119 29.700 0.019 0.000 1.012 271 E HN 0.304 nan 8.360 nan 0.000 0.482 272 N N 0.826 119.264 118.700 -0.436 0.000 2.412 272 N HA -0.018 4.723 4.740 0.002 0.000 0.258 272 N C 0.917 175.709 175.510 -1.196 0.000 1.236 272 N CA 1.420 53.899 53.050 -0.952 0.000 0.882 272 N CB 1.031 38.754 38.487 -1.273 0.000 1.066 272 N HN 0.343 nan 8.380 nan 0.000 0.465 273 G N 1.335 109.476 108.800 -1.098 0.000 2.157 273 G HA2 -0.243 3.718 3.960 0.002 0.000 0.248 273 G HA3 -0.243 3.718 3.960 0.002 0.000 0.248 273 G C 0.007 174.773 174.900 -0.224 0.000 0.979 273 G CA -0.076 44.757 45.100 -0.446 0.000 0.650 273 G HN 0.543 nan 8.290 nan 0.000 0.529 274 I N 1.206 121.567 120.570 -0.347 0.000 2.474 274 I HA 0.430 4.601 4.170 0.002 0.000 0.294 274 I C 0.008 175.790 176.117 -0.559 0.000 1.005 274 I CA -0.790 60.222 61.300 -0.480 0.000 1.113 274 I CB 2.173 39.823 38.000 -0.584 0.000 1.289 274 I HN -0.035 nan 8.210 nan 0.000 0.436 275 T N 5.891 120.127 114.554 -0.529 0.000 2.744 275 T HA 0.456 4.807 4.350 0.002 0.000 0.291 275 T C -0.552 173.850 174.700 -0.496 0.000 0.957 275 T CA -0.151 61.722 62.100 -0.380 0.000 1.002 275 T CB 0.152 68.893 68.868 -0.212 0.000 0.919 275 T HN 0.117 nan 8.240 nan 0.000 0.468 276 F N 5.121 125.025 119.950 -0.078 0.000 2.361 276 F HA 0.363 4.891 4.527 0.002 0.000 0.364 276 F C -1.555 174.206 175.800 -0.066 0.000 1.120 276 F CA -2.578 55.373 58.000 -0.082 0.000 1.102 276 F CB 0.465 39.392 39.000 -0.122 0.000 1.183 276 F HN 0.355 nan 8.300 nan 0.000 0.476 277 P HA -0.010 nan 4.420 nan 0.000 0.269 277 P C 0.846 178.176 177.300 0.049 0.000 1.217 277 P CA -0.198 62.930 63.100 0.048 0.000 0.783 277 P CB 0.556 32.278 31.700 0.036 0.000 0.898 278 K N 0.423 120.836 120.400 0.022 0.000 2.360 278 K HA -0.121 4.200 4.320 0.002 0.000 0.201 278 K C 0.928 177.527 176.600 -0.002 0.000 1.046 278 K CA 1.784 58.074 56.287 0.005 0.000 0.945 278 K CB -1.276 31.223 32.500 -0.001 0.000 0.750 278 K HN 0.704 nan 8.250 nan 0.000 0.464 279 D N -0.046 120.359 120.400 0.009 0.000 2.350 279 D HA 0.155 4.796 4.640 0.002 0.000 0.213 279 D C 0.694 176.996 176.300 0.004 0.000 1.031 279 D CA 0.397 54.401 54.000 0.006 0.000 0.861 279 D CB -0.143 40.666 40.800 0.014 0.000 0.926 279 D HN 0.517 nan 8.370 nan 0.000 0.520 280 A N 2.324 125.149 122.820 0.008 0.000 2.531 280 A HA 0.327 4.648 4.320 0.002 0.000 0.236 280 A C -1.888 175.647 177.584 -0.082 0.000 1.062 280 A CA -0.795 51.237 52.037 -0.008 0.000 0.760 280 A CB -0.338 18.687 19.000 0.041 0.000 0.995 280 A HN 0.156 nan 8.150 nan 0.000 0.501 281 P HA 0.171 nan 4.420 nan 0.000 0.269 281 P C -0.070 177.033 177.300 -0.329 0.000 1.209 281 P CA -0.199 62.801 63.100 -0.167 0.000 0.776 281 P CB 0.445 32.071 31.700 -0.123 0.000 0.876 282 S N 2.784 118.311 115.700 -0.288 0.000 2.596 282 S HA 0.243 4.714 4.470 0.002 0.000 0.260 282 S C -2.169 172.105 174.600 -0.544 0.000 1.336 282 S CA -0.917 57.076 58.200 -0.344 0.000 0.993 282 S CB -1.252 61.808 63.200 -0.235 0.000 0.923 282 S HN 0.413 nan 8.310 nan 0.000 0.567 283 P HA 0.201 nan 4.420 nan 0.000 0.266 283 P C -0.847 176.209 177.300 -0.407 0.000 1.195 283 P CA -0.006 62.772 63.100 -0.536 0.000 0.768 283 P CB 0.101 31.576 31.700 -0.375 0.000 0.838 284 F N 2.150 121.948 119.950 -0.252 0.000 2.375 284 F HA 0.390 4.918 4.527 0.002 0.000 0.333 284 F C 0.774 176.277 175.800 -0.495 0.000 1.104 284 F CA -0.457 57.301 58.000 -0.404 0.000 1.149 284 F CB 0.151 38.895 39.000 -0.427 0.000 1.190 284 F HN 0.087 nan 8.300 nan 0.000 0.533 285 I N 3.694 124.086 120.570 -0.296 0.000 2.390 285 I HA 0.268 4.439 4.170 0.002 0.000 0.283 285 I C -0.824 175.149 176.117 -0.240 0.000 1.016 285 I CA -0.199 60.963 61.300 -0.230 0.000 1.151 285 I CB 0.281 38.207 38.000 -0.123 0.000 1.293 285 I HN 0.240 nan 8.210 nan 0.000 0.458 286 F N 5.178 125.168 119.950 0.067 0.000 2.389 286 F HA 0.388 4.915 4.527 0.002 0.000 0.337 286 F C 1.030 176.658 175.800 -0.288 0.000 1.112 286 F CA -0.534 57.363 58.000 -0.172 0.000 1.192 286 F CB 0.489 39.117 39.000 -0.621 0.000 1.185 286 F HN 0.231 nan 8.300 nan 0.000 0.552 287 K N 1.118 121.469 120.400 -0.082 0.000 2.154 287 K HA 0.280 4.601 4.320 0.002 0.000 0.264 287 K C 0.268 176.755 176.600 -0.188 0.000 1.008 287 K CA -0.437 55.799 56.287 -0.085 0.000 0.937 287 K CB 0.948 33.438 32.500 -0.016 0.000 1.002 287 K HN 0.779 nan 8.250 nan 0.000 0.469 288 T N -1.375 113.174 114.554 -0.007 0.000 2.788 288 T HA 0.181 4.532 4.350 0.002 0.000 0.280 288 T C 1.763 176.540 174.700 0.128 0.000 0.984 288 T CA -0.741 61.442 62.100 0.139 0.000 0.972 288 T CB 0.484 69.436 68.868 0.140 0.000 1.039 288 T HN 0.442 nan 8.240 nan 0.000 0.530 289 L N 0.067 121.400 121.223 0.183 0.000 2.012 289 L HA -0.113 4.228 4.340 0.002 0.000 0.210 289 L C 3.064 179.981 176.870 0.079 0.000 1.073 289 L CA 2.213 57.125 54.840 0.120 0.000 0.748 289 L CB -0.698 41.426 42.059 0.108 0.000 0.891 289 L HN 0.936 nan 8.230 nan 0.000 0.431 290 E N 0.578 120.825 120.200 0.078 0.000 2.085 290 E HA -0.267 4.084 4.350 0.002 0.000 0.194 290 E C 1.878 178.508 176.600 0.051 0.000 0.994 290 E CA 1.580 58.017 56.400 0.061 0.000 0.801 290 E CB 0.034 29.771 29.700 0.062 0.000 0.743 290 E HN 0.514 nan 8.360 nan 0.000 0.453 291 E N -0.149 120.082 120.200 0.051 0.000 2.268 291 E HA -0.156 4.195 4.350 0.002 0.000 0.195 291 E C 1.887 178.508 176.600 0.034 0.000 0.995 291 E CA 0.778 57.202 56.400 0.039 0.000 0.836 291 E CB 0.079 29.799 29.700 0.034 0.000 0.763 291 E HN 0.404 nan 8.360 nan 0.000 0.491 292 Q N -0.669 119.153 119.800 0.036 0.000 2.392 292 Q HA 0.103 4.444 4.340 0.002 0.000 0.203 292 Q C 0.742 176.760 176.000 0.031 0.000 0.917 292 Q CA 0.339 56.160 55.803 0.031 0.000 0.939 292 Q CB 1.012 29.767 28.738 0.029 0.000 1.063 292 Q HN 0.337 nan 8.270 nan 0.000 0.516 293 G N 1.161 109.982 108.800 0.034 0.000 2.198 293 G HA2 -0.261 3.700 3.960 0.002 0.000 0.257 293 G HA3 -0.261 3.700 3.960 0.002 0.000 0.257 293 G C -0.162 174.758 174.900 0.032 0.000 1.042 293 G CA 0.152 45.271 45.100 0.032 0.000 0.791 293 G HN 0.205 nan 8.290 nan 0.000 0.502 294 L N 0.000 121.246 121.223 0.038 0.000 2.949 294 L HA 0.000 4.341 4.340 0.002 0.000 0.249 294 L CA 0.000 54.863 54.840 0.038 0.000 0.813 294 L CB 0.000 42.083 42.059 0.041 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502