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 1ett_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGQDAEVG LSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTVDDLL DATA SEQUENCE VRIGKHSRTR YRKVEKISML DKIYIHPRYN WENLDRDIAL LKLKRPIELS DATA SEQUENCE DYIHPVCLPD KQTLLHAGFK GRVTGWGNRR ETWEVQPSVL QVVNLPLVER DATA SEQUENCE PVcKASTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDRL GS 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.144 176.117 0.046 0.000 1.063 16 I CA 0.000 61.328 61.300 0.047 0.000 1.566 16 I CB 0.000 38.011 38.000 0.019 0.000 1.214 17 V N 6.713 126.660 119.914 0.055 0.000 2.498 17 V HA 0.083 nan 4.120 nan 0.000 0.279 17 V C 0.210 176.329 176.094 0.042 0.000 1.048 17 V CA -0.362 61.966 62.300 0.047 0.000 0.967 17 V CB -0.070 31.783 31.823 0.050 0.000 0.988 17 V HN 0.994 9.118 8.190 0.068 0.106 0.473 18 E N 1.107 121.323 120.200 0.026 0.000 2.513 18 E HA -0.427 nan 4.350 nan 0.000 0.257 18 E C -0.586 176.023 176.600 0.015 0.000 1.098 18 E CA 0.692 57.100 56.400 0.014 0.000 0.752 18 E CB -2.353 27.349 29.700 0.002 0.000 1.324 18 E HN 0.844 9.218 8.360 0.024 0.000 0.403 19 G N -2.868 105.941 108.800 0.015 0.000 2.476 19 G HA2 0.096 nan 3.960 nan 0.000 0.269 19 G HA3 0.096 nan 3.960 nan 0.000 0.269 19 G C -1.498 173.402 174.900 0.000 0.000 1.195 19 G CA -0.378 44.725 45.100 0.005 0.000 0.843 19 G HN -0.676 7.624 8.290 0.018 0.000 0.545 20 Q N -0.232 119.565 119.800 -0.006 0.000 2.306 20 Q HA 0.320 nan 4.340 nan 0.000 0.265 20 Q C -0.872 175.119 176.000 -0.015 0.000 1.022 20 Q CA -2.195 53.606 55.803 -0.004 0.000 0.853 20 Q CB 2.569 31.308 28.738 0.002 0.000 1.327 20 Q HN -0.017 8.248 8.270 -0.008 0.000 0.449 21 D N 1.426 121.822 120.400 -0.006 0.000 2.548 21 D HA -0.154 nan 4.640 nan 0.000 0.231 21 D C -0.394 175.905 176.300 -0.002 0.000 1.142 21 D CA 1.577 55.571 54.000 -0.009 0.000 0.866 21 D CB 0.298 41.115 40.800 0.029 0.000 1.190 21 D HN 0.248 8.622 8.370 0.005 0.000 0.469 22 A N 2.591 125.396 122.820 -0.025 0.000 2.363 22 A HA 0.181 nan 4.320 nan 0.000 0.270 22 A C -1.072 176.617 177.584 0.175 0.000 1.121 22 A CA -0.755 51.293 52.037 0.017 0.000 0.800 22 A CB 1.154 20.121 19.000 -0.055 0.000 1.052 22 A HN 0.122 8.216 8.150 -0.093 0.000 0.493 23 E N 2.976 123.238 120.200 0.103 0.000 2.608 23 E HA -0.268 nan 4.350 nan 0.000 0.259 23 E C -0.221 176.444 176.600 0.108 0.000 0.951 23 E CA 0.297 56.746 56.400 0.081 0.000 0.945 23 E CB 0.491 30.203 29.700 0.019 0.000 0.916 23 E HN 0.259 8.649 8.360 0.050 0.000 0.477 24 V N 2.104 121.968 119.914 -0.084 0.000 2.539 24 V HA -0.349 nan 4.120 nan 0.000 0.300 24 V C 1.272 177.364 176.094 -0.003 0.000 1.019 24 V CA 1.732 63.885 62.300 -0.246 0.000 1.160 24 V CB -1.743 29.903 31.823 -0.295 0.000 0.901 24 V HN 0.567 8.683 8.190 -0.123 0.000 0.481 25 G N 5.201 114.045 108.800 0.073 0.000 2.175 25 G HA2 -0.392 nan 3.960 nan 0.000 0.244 25 G HA3 -0.392 nan 3.960 nan 0.000 0.244 25 G C -0.420 174.397 174.900 -0.140 0.000 0.982 25 G CA 0.122 45.227 45.100 0.009 0.000 0.641 25 G HN 0.549 8.917 8.290 0.130 0.000 0.527 26 L N -0.723 120.423 121.223 -0.129 0.000 2.093 26 L HA -0.063 nan 4.340 nan 0.000 0.208 26 L C -0.824 175.779 176.870 -0.446 0.000 1.085 26 L CA 1.989 56.696 54.840 -0.222 0.000 0.755 26 L CB 0.569 42.546 42.059 -0.137 0.000 0.904 26 L HN -0.413 7.748 8.230 -0.038 0.045 0.435 27 S N -4.112 111.285 115.700 -0.505 0.000 2.150 27 S HA 0.439 nan 4.470 nan 0.000 0.171 27 S C -1.428 172.573 174.600 -0.998 0.000 1.620 27 S CA -3.847 53.826 58.200 -0.877 0.000 1.190 27 S CB 0.293 63.274 63.200 -0.364 0.000 1.102 27 S HN -0.195 7.913 8.310 -0.337 0.000 0.464 28 P HA 0.013 nan 4.420 nan 0.000 0.229 28 P C 0.301 177.413 177.300 -0.313 0.000 1.160 28 P CA 1.350 64.150 63.100 -0.500 0.000 0.777 28 P CB 0.088 31.582 31.700 -0.344 0.000 0.814 29 W N -4.562 116.766 121.300 0.046 0.000 2.825 29 W HA -0.034 nan 4.660 nan 0.000 0.243 29 W C -0.896 175.663 176.519 0.066 0.000 1.293 29 W CA -2.605 54.767 57.345 0.045 0.000 1.403 29 W CB -1.574 27.891 29.460 0.008 0.000 1.134 29 W HN -0.517 6.691 8.180 -1.586 0.020 0.666 30 Q N 1.636 121.446 119.800 0.016 0.000 2.281 30 Q HA 0.102 nan 4.340 nan 0.000 0.267 30 Q C -1.160 174.978 176.000 0.229 0.000 1.053 30 Q CA 0.399 56.302 55.803 0.166 0.000 0.905 30 Q CB -0.080 28.676 28.738 0.030 0.000 1.195 30 Q HN -0.342 7.607 8.270 -0.249 0.171 0.398 31 V N 6.649 126.716 119.914 0.256 0.000 2.973 31 V HA 0.660 nan 4.120 nan 0.000 0.314 31 V C -1.406 174.870 176.094 0.304 0.000 1.066 31 V CA -2.215 60.226 62.300 0.236 0.000 1.021 31 V CB 1.826 33.763 31.823 0.190 0.000 1.076 31 V HN 0.256 8.604 8.190 0.263 0.000 0.462 32 M N 0.851 120.595 119.600 0.240 0.000 2.326 32 M HA 0.610 nan 4.480 nan 0.000 0.306 32 M C -1.943 174.509 176.300 0.253 0.000 1.054 32 M CA -0.965 54.493 55.300 0.263 0.000 0.922 32 M CB 3.568 36.238 32.600 0.117 0.000 1.632 32 M HN 0.353 8.639 8.290 0.164 0.103 0.436 33 L N 4.777 126.159 121.223 0.265 0.000 2.312 33 L HA 0.711 nan 4.340 nan 0.000 0.281 33 L C -1.892 175.156 176.870 0.297 0.000 1.070 33 L CA -0.343 54.633 54.840 0.227 0.000 0.805 33 L CB 1.888 44.022 42.059 0.125 0.000 1.174 33 L HN 0.616 8.995 8.230 0.248 0.000 0.434 34 F N 2.481 122.433 119.950 0.003 0.000 2.601 34 F HA 0.673 nan 4.527 nan 0.000 0.309 34 F C -1.824 173.968 175.800 -0.013 0.000 1.089 34 F CA -0.914 57.079 58.000 -0.012 0.000 0.940 34 F CB 4.652 43.637 39.000 -0.024 0.000 1.273 34 F HN 0.448 8.906 8.300 0.262 0.000 0.450 35 R N 2.305 122.820 120.500 0.025 0.000 2.502 35 R HA 0.424 nan 4.340 nan 0.000 0.188 35 R C -0.315 176.026 176.300 0.068 0.000 1.063 35 R CA -0.896 55.212 56.100 0.013 0.000 1.174 35 R CB 1.279 31.545 30.300 -0.057 0.000 1.531 35 R HN 0.396 8.583 8.270 -0.138 0.000 0.525 36 S N 0.512 116.222 115.700 0.016 0.000 2.516 36 S HA 0.099 nan 4.470 nan 0.000 0.282 36 S C -1.499 173.096 174.600 -0.008 0.000 1.286 36 S CA 0.042 58.245 58.200 0.005 0.000 1.066 36 S CB 0.211 63.410 63.200 -0.001 0.000 0.884 36 S HN -0.362 7.954 8.310 0.009 0.000 0.491 37 P HA 0.178 nan 4.420 nan 0.000 0.274 37 P C -1.613 175.683 177.300 -0.007 0.000 1.256 37 P CA -0.659 62.436 63.100 -0.009 0.000 0.795 37 P CB 0.896 32.585 31.700 -0.018 0.000 1.038 38 Q N -2.010 117.799 119.800 0.015 0.000 3.254 38 Q HA -0.107 nan 4.340 nan 0.000 0.315 38 Q C -0.982 174.978 176.000 -0.066 0.000 1.405 38 Q CA -1.181 54.663 55.803 0.068 0.000 0.966 38 Q CB -2.281 26.542 28.738 0.141 0.000 1.706 38 Q HN 0.214 8.490 8.270 0.011 0.000 0.525 39 E N -0.623 119.417 120.200 -0.266 0.000 2.214 39 E HA 0.173 nan 4.350 nan 0.000 0.274 39 E C -1.777 174.113 176.600 -1.182 0.000 0.977 39 E CA -2.159 53.908 56.400 -0.555 0.000 0.827 39 E CB 1.751 31.271 29.700 -0.300 0.000 1.130 39 E HN -0.527 7.724 8.360 -0.183 0.000 0.394 40 L N 1.533 121.840 121.223 -1.527 0.000 2.578 40 L HA -0.248 nan 4.340 nan 0.000 0.279 40 L C -0.657 175.986 176.870 -0.377 0.000 1.227 40 L CA 0.773 55.047 54.840 -0.945 0.000 0.900 40 L CB 0.088 41.925 42.059 -0.370 0.000 1.144 40 L HN 0.487 7.927 8.230 -1.316 0.000 0.496 41 L N 3.765 124.871 121.223 -0.194 0.000 2.653 41 L HA 0.235 nan 4.340 nan 0.000 0.230 41 L C -0.664 176.212 176.870 0.010 0.000 1.055 41 L CA 0.192 54.984 54.840 -0.080 0.000 0.880 41 L CB 2.257 44.278 42.059 -0.063 0.000 1.195 41 L HN 0.613 8.648 8.230 -0.151 0.105 0.492 42 c N -4.059 114.579 118.600 0.063 0.000 3.302 42 c HA 0.265 nan 4.570 nan 0.000 0.347 42 c C -1.179 173.011 174.090 0.168 0.000 1.218 42 c CA -0.365 56.026 56.329 0.102 0.000 1.234 42 c CB 4.095 46.635 42.510 0.049 0.000 1.551 42 c HN -0.761 7.516 8.230 0.079 0.000 0.501 43 G N -0.880 108.036 108.800 0.193 0.000 2.653 43 G HA2 0.509 nan 3.960 nan 0.000 0.265 43 G HA3 0.509 nan 3.960 nan 0.000 0.265 43 G C -2.527 172.485 174.900 0.186 0.000 1.237 43 G CA -0.287 44.951 45.100 0.231 0.000 0.946 43 G HN 0.210 8.604 8.290 0.173 0.000 0.522 44 A N -2.641 120.303 122.820 0.207 0.000 2.566 44 A HA 0.730 nan 4.320 nan 0.000 0.290 44 A C -2.495 175.218 177.584 0.216 0.000 1.071 44 A CA -0.098 52.051 52.037 0.186 0.000 0.658 44 A CB 2.904 22.008 19.000 0.173 0.000 1.285 44 A HN -0.381 7.914 8.150 0.242 0.000 0.427 45 S N -2.417 113.409 115.700 0.210 0.000 2.568 45 S HA 0.849 nan 4.470 nan 0.000 0.293 45 S C -1.444 173.291 174.600 0.224 0.000 1.089 45 S CA -1.828 56.519 58.200 0.245 0.000 0.945 45 S CB 3.297 66.624 63.200 0.212 0.000 1.077 45 S HN 0.616 9.040 8.310 0.190 0.000 0.485 46 L N 2.777 124.151 121.223 0.252 0.000 2.265 46 L HA 0.656 nan 4.340 nan 0.000 0.289 46 L C -0.977 176.008 176.870 0.193 0.000 1.033 46 L CA -0.884 54.084 54.840 0.212 0.000 0.814 46 L CB 0.921 43.100 42.059 0.200 0.000 1.203 46 L HN 0.208 8.635 8.230 0.328 0.000 0.423 47 I N 2.370 123.039 120.570 0.165 0.000 4.035 47 I HA 0.343 nan 4.170 nan 0.000 0.321 47 I C -0.795 175.384 176.117 0.103 0.000 1.289 47 I CA -1.058 60.308 61.300 0.109 0.000 1.236 47 I CB 0.797 38.844 38.000 0.078 0.000 1.076 47 I HN 0.092 8.420 8.210 0.196 0.000 0.418 48 S N -0.627 115.171 115.700 0.165 0.000 2.697 48 S HA 0.200 nan 4.470 nan 0.000 0.289 48 S C -0.174 174.512 174.600 0.144 0.000 1.149 48 S CA -1.029 57.268 58.200 0.162 0.000 0.850 48 S CB 2.785 66.143 63.200 0.264 0.000 1.151 48 S HN -0.767 7.666 8.310 0.205 0.000 0.491 49 D N -1.867 118.597 120.400 0.108 0.000 2.368 49 D HA -0.146 nan 4.640 nan 0.000 0.250 49 D C -0.204 176.118 176.300 0.038 0.000 1.142 49 D CA 1.659 55.703 54.000 0.074 0.000 0.925 49 D CB -1.454 39.381 40.800 0.059 0.000 0.896 49 D HN 0.493 8.924 8.370 0.102 0.000 0.525 50 R N -2.866 117.655 120.500 0.035 0.000 2.851 50 R HA 0.139 nan 4.340 nan 0.000 0.177 50 R C -2.173 173.939 176.300 -0.313 0.000 0.888 50 R CA 1.075 57.087 56.100 -0.147 0.000 1.326 50 R CB 3.020 33.267 30.300 -0.089 0.000 1.668 50 R HN -0.263 7.988 8.270 0.105 0.082 0.575 51 W N -3.674 117.658 121.300 0.053 0.000 2.785 51 W HA 0.455 nan 4.660 nan 0.000 0.333 51 W C -1.478 175.090 176.519 0.081 0.000 1.062 51 W CA -0.766 56.619 57.345 0.066 0.000 1.233 51 W CB 3.198 32.685 29.460 0.045 0.000 1.413 51 W HN -0.126 8.231 8.180 0.296 0.000 0.489 52 V N 2.663 122.787 119.914 0.351 0.000 2.495 52 V HA 0.717 nan 4.120 nan 0.000 0.298 52 V C -2.031 174.224 176.094 0.269 0.000 1.031 52 V CA -1.322 61.132 62.300 0.258 0.000 0.871 52 V CB 2.329 34.268 31.823 0.193 0.000 0.988 52 V HN 0.908 9.329 8.190 0.385 0.000 0.432 53 L N 8.275 129.631 121.223 0.221 0.000 2.343 53 L HA 0.868 nan 4.340 nan 0.000 0.275 53 L C -1.907 175.064 176.870 0.169 0.000 1.056 53 L CA -1.157 53.803 54.840 0.200 0.000 0.804 53 L CB 2.795 44.956 42.059 0.171 0.000 1.203 53 L HN 0.637 8.990 8.230 0.206 0.000 0.440 54 T N 5.159 119.799 114.554 0.142 0.000 2.693 54 T HA 0.374 nan 4.350 nan 0.000 0.304 54 T C -2.436 172.275 174.700 0.018 0.000 1.471 54 T CA -0.696 61.454 62.100 0.084 0.000 0.993 54 T CB 3.324 72.235 68.868 0.072 0.000 1.554 54 T HN 0.169 8.504 8.240 0.159 0.000 0.496 55 A N 0.042 122.810 122.820 -0.087 0.000 2.363 55 A HA 0.457 nan 4.320 nan 0.000 0.270 55 A C 0.443 177.835 177.584 -0.319 0.000 1.121 55 A CA -1.018 50.897 52.037 -0.204 0.000 0.800 55 A CB 0.914 19.661 19.000 -0.423 0.000 1.052 55 A HN 0.479 8.568 8.150 -0.101 0.000 0.493 56 A N 4.733 127.338 122.820 -0.359 0.000 1.972 56 A HA -0.261 nan 4.320 nan 0.000 0.219 56 A C 1.095 178.409 177.584 -0.451 0.000 1.169 56 A CA 3.061 54.778 52.037 -0.534 0.000 0.635 56 A CB -0.670 17.619 19.000 -1.185 0.000 0.810 56 A HN 0.771 8.664 8.150 -0.298 0.078 0.446 57 H N -5.090 113.830 119.070 -0.250 0.000 2.560 57 H HA -0.143 nan 4.556 nan 0.000 0.283 57 H C 1.595 176.911 175.328 -0.021 0.000 1.028 57 H CA 2.080 58.110 56.048 -0.031 0.000 1.221 57 H CB -1.247 28.559 29.762 0.073 0.000 1.363 57 H HN -0.467 7.949 8.280 -0.279 -0.304 0.594 58 c N -1.177 117.206 118.600 -0.362 0.000 2.472 58 c HA -0.126 nan 4.570 nan 0.000 0.278 58 c C -0.663 173.386 174.090 -0.068 0.000 1.447 58 c CA 2.670 58.895 56.329 -0.173 0.000 1.773 58 c CB -1.254 41.150 42.510 -0.177 0.000 1.793 58 c HN -0.206 7.564 8.230 -0.487 0.167 0.544 59 L N -2.218 118.962 121.223 -0.071 0.000 2.301 59 L HA 0.425 nan 4.340 nan 0.000 0.264 59 L C 0.156 177.007 176.870 -0.031 0.000 1.016 59 L CA -0.697 54.119 54.840 -0.040 0.000 0.821 59 L CB 2.823 44.862 42.059 -0.033 0.000 1.346 59 L HN -0.040 7.949 8.230 -0.102 0.179 0.429 60 T N -1.599 112.944 114.554 -0.019 0.000 2.882 60 T HA 0.246 nan 4.350 nan 0.000 0.287 60 T C 1.335 176.024 174.700 -0.019 0.000 1.014 60 T CA -1.001 61.088 62.100 -0.019 0.000 1.049 60 T CB 0.886 69.743 68.868 -0.018 0.000 1.001 60 T HN 0.055 8.502 8.240 -0.020 -0.219 0.525 61 V N -0.021 119.878 119.914 -0.025 0.000 2.427 61 V HA -0.187 nan 4.120 nan 0.000 0.248 61 V C 0.874 176.957 176.094 -0.019 0.000 1.051 61 V CA 2.147 64.431 62.300 -0.028 0.000 1.048 61 V CB -0.653 31.144 31.823 -0.043 0.000 0.666 61 V HN 0.397 8.569 8.190 -0.029 0.000 0.456 62 D N -3.384 117.006 120.400 -0.017 0.000 3.038 62 D HA 0.051 nan 4.640 nan 0.000 0.243 62 D C -1.027 175.268 176.300 -0.009 0.000 1.245 62 D CA 0.104 54.096 54.000 -0.013 0.000 0.871 62 D CB -1.906 38.885 40.800 -0.014 0.000 1.089 62 D HN 0.316 8.659 8.370 -0.019 0.016 0.464 63 D N -1.883 118.514 120.400 -0.005 0.000 2.410 63 D HA 0.179 nan 4.640 nan 0.000 0.275 63 D C -1.478 174.828 176.300 0.009 0.000 1.152 63 D CA 0.623 54.622 54.000 -0.002 0.000 0.825 63 D CB 2.559 43.353 40.800 -0.008 0.000 1.312 63 D HN -0.358 7.920 8.370 -0.005 0.090 0.532 64 L N -1.636 119.597 121.223 0.015 0.000 2.354 64 L HA 0.831 nan 4.340 nan 0.000 0.269 64 L C -1.941 174.954 176.870 0.040 0.000 1.005 64 L CA -0.807 54.055 54.840 0.036 0.000 0.819 64 L CB 2.747 44.826 42.059 0.033 0.000 1.311 64 L HN -0.959 7.277 8.230 0.009 0.000 0.423 65 L N -2.720 118.543 121.223 0.067 0.000 2.277 65 L HA 0.877 nan 4.340 nan 0.000 0.254 65 L C -2.102 174.818 176.870 0.082 0.000 1.044 65 L CA -1.793 53.077 54.840 0.051 0.000 0.842 65 L CB 2.513 44.589 42.059 0.028 0.000 1.422 65 L HN 0.041 8.333 8.230 0.103 0.000 0.422 66 V N -1.548 118.395 119.914 0.049 0.000 2.876 66 V HA 0.697 nan 4.120 nan 0.000 0.312 66 V C -1.880 174.218 176.094 0.006 0.000 1.085 66 V CA -1.878 60.459 62.300 0.061 0.000 0.945 66 V CB 3.998 35.859 31.823 0.063 0.000 1.017 66 V HN 0.287 8.490 8.190 0.022 0.000 0.428 67 R N 5.309 125.806 120.500 -0.006 0.000 2.476 67 R HA 0.715 nan 4.340 nan 0.000 0.305 67 R C -1.312 174.991 176.300 0.006 0.000 0.965 67 R CA -1.523 54.539 56.100 -0.063 0.000 0.867 67 R CB 2.542 32.707 30.300 -0.225 0.000 1.176 67 R HN 0.859 9.047 8.270 0.047 0.109 0.447 68 I N 3.193 123.773 120.570 0.017 0.000 2.362 68 I HA 0.368 nan 4.170 nan 0.000 0.289 68 I C -0.732 175.408 176.117 0.039 0.000 0.994 68 I CA -1.384 59.952 61.300 0.060 0.000 1.158 68 I CB 0.319 38.361 38.000 0.070 0.000 1.315 68 I HN 0.731 8.938 8.210 -0.004 0.000 0.451 69 G N 6.474 115.319 108.800 0.075 0.000 2.145 69 G HA2 -0.378 nan 3.960 nan 0.000 0.176 69 G HA3 -0.378 nan 3.960 nan 0.000 0.176 69 G C -0.959 173.959 174.900 0.029 0.000 1.013 69 G CA -0.217 44.917 45.100 0.058 0.000 0.689 69 G HN 0.095 8.462 8.290 0.127 0.000 0.506 70 K N -0.553 119.899 120.400 0.087 0.000 2.440 70 K HA 0.285 nan 4.320 nan 0.000 0.252 70 K C -1.990 174.796 176.600 0.311 0.000 1.044 70 K CA -0.193 56.132 56.287 0.062 0.000 0.962 70 K CB 1.060 33.443 32.500 -0.194 0.000 1.269 70 K HN -0.286 8.059 8.250 0.159 0.000 0.505 71 H N -3.581 115.635 119.070 0.243 0.000 1.943 71 H HA 0.114 nan 4.556 nan 0.000 0.139 71 H C -0.829 174.713 175.328 0.357 0.000 0.981 71 H CA 1.302 57.534 56.048 0.308 0.000 0.749 71 H CB 2.677 32.489 29.762 0.083 0.000 0.643 71 H HN 0.051 8.428 8.280 0.163 0.000 0.334 72 S N -0.130 115.673 115.700 0.172 0.000 2.549 72 S HA -0.110 nan 4.470 nan 0.000 0.286 72 S C 0.753 175.227 174.600 -0.209 0.000 1.314 72 S CA 0.526 58.747 58.200 0.036 0.000 1.062 72 S CB 0.593 63.786 63.200 -0.011 0.000 0.865 72 S HN -0.591 8.113 8.310 0.182 -0.285 0.498 73 R N 7.765 128.092 120.500 -0.288 0.000 2.070 73 R HA -0.138 nan 4.340 nan 0.000 0.233 73 R C 0.783 176.922 176.300 -0.268 0.000 1.137 73 R CA 2.832 58.592 56.100 -0.568 0.000 0.945 73 R CB 0.122 30.301 30.300 -0.202 0.000 0.845 73 R HN 0.412 8.678 8.270 -0.007 0.000 0.430 74 T N -4.203 110.287 114.554 -0.108 0.000 2.770 74 T HA 0.031 nan 4.350 nan 0.000 0.258 74 T C 0.495 175.175 174.700 -0.033 0.000 1.039 74 T CA 1.193 63.269 62.100 -0.040 0.000 1.143 74 T CB 0.296 69.162 68.868 -0.003 0.000 0.866 74 T HN -0.485 7.713 8.240 -0.069 0.000 0.428 75 R N 1.814 122.294 120.500 -0.034 0.000 2.265 75 R HA 0.314 nan 4.340 nan 0.000 0.328 75 R C -0.193 176.099 176.300 -0.013 0.000 0.969 75 R CA -1.638 54.461 56.100 -0.003 0.000 0.832 75 R CB 0.637 30.940 30.300 0.004 0.000 1.139 75 R HN -0.385 7.858 8.270 -0.045 0.000 0.457 76 Y N 7.133 127.365 120.300 -0.113 0.000 2.162 76 Y HA -0.442 nan 4.550 nan 0.000 0.366 76 Y C -0.322 175.520 175.900 -0.097 0.000 1.225 76 Y CA 2.004 60.032 58.100 -0.121 0.000 1.564 76 Y CB 0.692 39.087 38.460 -0.109 0.000 1.320 76 Y HN 0.521 8.877 8.280 0.126 0.000 0.770 77 R N -1.223 118.924 120.500 -0.589 0.000 3.062 77 R HA 0.125 nan 4.340 nan 0.000 0.161 77 R C 2.446 178.572 176.300 -0.288 0.000 0.778 77 R CA -0.114 55.704 56.100 -0.471 0.000 1.168 77 R CB -0.182 30.067 30.300 -0.086 0.000 1.618 77 R HN 0.332 8.369 8.270 -0.389 0.000 0.566 78 K N 0.307 120.578 120.400 -0.216 0.000 2.147 78 K HA -0.136 nan 4.320 nan 0.000 0.205 78 K C 0.326 176.829 176.600 -0.162 0.000 1.049 78 K CA 1.742 57.940 56.287 -0.149 0.000 0.936 78 K CB 0.127 32.549 32.500 -0.130 0.000 0.722 78 K HN 0.420 8.537 8.250 -0.221 0.000 0.446 79 V N -10.253 109.518 119.914 -0.238 0.000 3.572 79 V HA 0.325 nan 4.120 nan 0.000 0.260 79 V C -0.800 175.189 176.094 -0.174 0.000 1.324 79 V CA -1.215 60.947 62.300 -0.229 0.000 1.068 79 V CB 1.528 33.084 31.823 -0.445 0.000 0.837 79 V HN -0.668 7.298 8.190 -0.297 0.046 0.450 80 E N 0.517 120.575 120.200 -0.236 0.000 2.231 80 E HA 0.403 nan 4.350 nan 0.000 0.277 80 E C -0.642 175.889 176.600 -0.115 0.000 0.999 80 E CA -0.702 55.579 56.400 -0.198 0.000 0.827 80 E CB 1.571 31.085 29.700 -0.310 0.000 1.101 80 E HN -0.813 7.363 8.360 -0.306 0.000 0.393 81 K N 2.713 123.084 120.400 -0.047 0.000 2.324 81 K HA 0.458 nan 4.320 nan 0.000 0.253 81 K C -1.443 175.160 176.600 0.005 0.000 0.932 81 K CA -2.321 53.963 56.287 -0.005 0.000 0.799 81 K CB 2.657 35.163 32.500 0.009 0.000 1.154 81 K HN 0.697 8.924 8.250 -0.038 0.000 0.425 82 I N 2.942 123.525 120.570 0.021 0.000 2.355 82 I HA 0.403 nan 4.170 nan 0.000 0.288 82 I C -0.684 175.433 176.117 0.000 0.000 0.999 82 I CA -1.110 60.193 61.300 0.004 0.000 1.163 82 I CB 1.410 39.414 38.000 0.005 0.000 1.316 82 I HN 0.342 8.570 8.210 0.031 0.000 0.454 83 S N 6.510 122.210 115.700 -0.001 0.000 2.566 83 S HA 0.474 nan 4.470 nan 0.000 0.298 83 S C -1.583 173.014 174.600 -0.004 0.000 1.083 83 S CA -2.218 55.980 58.200 -0.004 0.000 0.978 83 S CB 1.823 65.022 63.200 -0.001 0.000 1.073 83 S HN -0.121 8.188 8.310 -0.001 0.000 0.491 84 M N 0.936 120.529 119.600 -0.012 0.000 2.613 84 M HA 0.402 nan 4.480 nan 0.000 0.301 84 M C -0.911 175.376 176.300 -0.021 0.000 1.205 84 M CA -0.813 54.480 55.300 -0.011 0.000 0.950 84 M CB 2.484 35.075 32.600 -0.016 0.000 1.585 84 M HN 0.341 8.621 8.290 -0.017 0.000 0.490 85 L N -1.007 120.203 121.223 -0.021 0.000 2.307 85 L HA 0.179 nan 4.340 nan 0.000 0.282 85 L C -0.037 176.801 176.870 -0.054 0.000 1.051 85 L CA -0.302 54.517 54.840 -0.036 0.000 0.804 85 L CB 0.458 42.507 42.059 -0.016 0.000 1.197 85 L HN 0.387 8.608 8.230 -0.015 0.000 0.431 86 D N 3.627 123.976 120.400 -0.085 0.000 2.144 86 D HA -0.064 nan 4.640 nan 0.000 0.207 86 D C -0.088 176.158 176.300 -0.090 0.000 0.970 86 D CA 1.507 55.455 54.000 -0.087 0.000 0.853 86 D CB 1.355 42.085 40.800 -0.116 0.000 1.007 86 D HN 0.541 8.701 8.370 -0.109 0.145 0.469 87 K N -2.326 118.007 120.400 -0.111 0.000 2.548 87 K HA 0.159 nan 4.320 nan 0.000 0.282 87 K C -2.247 174.239 176.600 -0.190 0.000 1.006 87 K CA -1.333 54.854 56.287 -0.165 0.000 0.892 87 K CB 2.899 35.278 32.500 -0.203 0.000 1.499 87 K HN -0.292 7.886 8.250 -0.120 0.000 0.433 88 I N 0.028 120.398 120.570 -0.334 0.000 2.740 88 I HA 0.517 nan 4.170 nan 0.000 0.303 88 I C -0.770 175.063 176.117 -0.473 0.000 1.044 88 I CA -1.878 59.315 61.300 -0.178 0.000 1.064 88 I CB 4.081 42.031 38.000 -0.083 0.000 1.249 88 I HN 0.072 8.006 8.210 -0.460 0.000 0.433 89 Y N 3.128 123.582 120.300 0.257 0.000 2.475 89 Y HA 0.221 nan 4.550 nan 0.000 0.343 89 Y C -1.211 174.936 175.900 0.412 0.000 1.068 89 Y CA -1.221 57.083 58.100 0.341 0.000 1.307 89 Y CB 1.645 40.300 38.460 0.325 0.000 1.097 89 Y HN 0.732 9.176 8.280 0.273 0.000 0.530 90 I N 2.684 123.458 120.570 0.339 0.000 2.581 90 I HA 0.081 nan 4.170 nan 0.000 0.288 90 I C -0.371 175.874 176.117 0.214 0.000 1.047 90 I CA -0.678 60.736 61.300 0.190 0.000 1.374 90 I CB 1.015 39.094 38.000 0.131 0.000 1.423 90 I HN -0.198 8.165 8.210 0.254 0.000 0.549 91 H N 6.738 125.660 119.070 -0.247 0.000 2.815 91 H HA 0.078 nan 4.556 nan 0.000 0.350 91 H C 0.484 175.812 175.328 0.001 0.000 1.080 91 H CA -0.183 55.620 56.048 -0.408 0.000 1.433 91 H CB 1.151 30.457 29.762 -0.760 0.000 1.432 91 H HN -0.338 7.822 8.280 -0.200 0.000 0.592 92 P HA -0.164 nan 4.420 nan 0.000 0.222 92 P C 0.221 177.667 177.300 0.244 0.000 1.147 92 P CA 1.240 64.510 63.100 0.282 0.000 0.790 92 P CB 0.437 32.277 31.700 0.234 0.000 0.780 93 R N -2.980 117.685 120.500 0.276 0.000 2.586 93 R HA 0.213 nan 4.340 nan 0.000 0.306 93 R C -0.428 175.766 176.300 -0.177 0.000 1.079 93 R CA -1.126 54.942 56.100 -0.054 0.000 1.083 93 R CB -0.202 30.025 30.300 -0.122 0.000 1.306 93 R HN -0.230 8.514 8.270 0.851 0.037 0.567 94 Y N 2.796 123.009 120.300 -0.146 0.000 2.486 94 Y HA -0.058 nan 4.550 nan 0.000 0.348 94 Y C -1.922 173.980 175.900 0.003 0.000 1.000 94 Y CA -2.097 55.948 58.100 -0.091 0.000 1.253 94 Y CB -0.241 38.220 38.460 0.002 0.000 1.140 94 Y HN -0.867 7.431 8.280 0.163 0.079 0.526 95 N N 9.218 127.758 118.700 -0.266 0.000 2.645 95 N HA 0.141 nan 4.740 nan 0.000 0.233 95 N C -0.954 174.288 175.510 -0.445 0.000 1.058 95 N CA -2.206 50.620 53.050 -0.374 0.000 0.942 95 N CB -0.249 38.092 38.487 -0.242 0.000 1.210 95 N HN 0.163 8.390 8.380 -0.076 0.107 0.512 96 W N 2.499 123.439 121.300 -0.600 0.000 2.564 96 W HA 0.152 nan 4.660 nan 0.000 0.447 96 W C -0.254 176.105 176.519 -0.268 0.000 0.701 96 W CA -1.579 55.478 57.345 -0.480 0.000 2.223 96 W CB -1.988 27.154 29.460 -0.529 0.000 0.990 96 W HN 0.061 7.697 8.180 -0.906 0.000 0.698 97 E N 2.677 122.704 120.200 -0.287 0.000 4.000 97 E HA -0.466 nan 4.350 nan 0.000 0.226 97 E C -0.588 175.883 176.600 -0.215 0.000 1.270 97 E CA 2.530 58.793 56.400 -0.228 0.000 2.118 97 E CB -1.108 28.456 29.700 -0.226 0.000 1.850 97 E HN 0.377 8.590 8.360 -0.244 0.000 0.280 98 N N -3.098 115.483 118.700 -0.198 0.000 2.142 98 N HA 0.141 nan 4.740 nan 0.000 0.233 98 N C -0.529 174.908 175.510 -0.121 0.000 1.335 98 N CA -0.814 52.117 53.050 -0.199 0.000 0.837 98 N CB 1.450 39.871 38.487 -0.110 0.000 1.238 98 N HN -0.152 8.113 8.380 -0.192 0.000 0.501 99 L N -2.017 119.170 121.223 -0.062 0.000 3.762 99 L HA -0.522 nan 4.340 nan 0.000 0.460 99 L C -1.360 175.632 176.870 0.203 0.000 1.255 99 L CA 0.800 55.733 54.840 0.154 0.000 0.783 99 L CB -2.574 39.627 42.059 0.236 0.000 1.600 99 L HN 0.115 8.275 8.230 -0.117 0.000 0.862 100 D N -1.120 119.331 120.400 0.085 0.000 2.341 100 D HA 0.044 nan 4.640 nan 0.000 0.245 100 D C -0.210 176.136 176.300 0.077 0.000 1.106 100 D CA 0.043 54.083 54.000 0.066 0.000 0.905 100 D CB 1.319 42.113 40.800 -0.010 0.000 1.202 100 D HN -0.779 7.683 8.370 -0.005 -0.094 0.426 101 R N -0.276 120.235 120.500 0.019 0.000 3.525 101 R HA -0.495 nan 4.340 nan 0.000 0.276 101 R C -1.001 175.292 176.300 -0.012 0.000 1.116 101 R CA 1.015 57.066 56.100 -0.081 0.000 0.745 101 R CB -1.692 28.363 30.300 -0.409 0.000 1.185 101 R HN 0.775 9.066 8.270 0.034 0.000 0.454 102 D N -0.267 120.188 120.400 0.092 0.000 2.540 102 D HA -0.095 nan 4.640 nan 0.000 0.237 102 D C -1.756 174.470 176.300 -0.123 0.000 1.181 102 D CA 1.195 55.168 54.000 -0.046 0.000 1.119 102 D CB -0.377 40.533 40.800 0.184 0.000 1.119 102 D HN -0.201 8.231 8.370 0.145 0.026 0.498 103 I N 2.452 122.893 120.570 -0.214 0.000 2.534 103 I HA 0.557 nan 4.170 nan 0.000 0.288 103 I C -3.262 172.753 176.117 -0.170 0.000 1.077 103 I CA -1.734 59.492 61.300 -0.123 0.000 1.051 103 I CB 3.529 41.508 38.000 -0.036 0.000 1.234 103 I HN -0.056 7.945 8.210 -0.296 0.031 0.425 104 A N 6.915 129.734 122.820 -0.002 0.000 2.423 104 A HA 1.001 nan 4.320 nan 0.000 0.304 104 A C -2.740 175.054 177.584 0.351 0.000 1.104 104 A CA -2.518 49.623 52.037 0.174 0.000 0.757 104 A CB 3.805 22.862 19.000 0.096 0.000 1.313 104 A HN 0.704 8.867 8.150 0.023 0.000 0.423 105 L N -2.078 119.461 121.223 0.526 0.000 2.333 105 L HA 0.907 nan 4.340 nan 0.000 0.269 105 L C -1.799 175.379 176.870 0.514 0.000 1.010 105 L CA -1.468 53.666 54.840 0.490 0.000 0.818 105 L CB 3.727 46.020 42.059 0.390 0.000 1.306 105 L HN 0.728 9.228 8.230 0.655 0.123 0.430 106 L N 0.358 121.885 121.223 0.506 0.000 2.406 106 L HA 0.519 nan 4.340 nan 0.000 0.270 106 L C -1.980 175.044 176.870 0.257 0.000 0.982 106 L CA -1.521 53.513 54.840 0.323 0.000 0.843 106 L CB 1.663 43.839 42.059 0.195 0.000 1.225 106 L HN 0.479 9.027 8.230 0.530 0.000 0.412 107 K N 4.941 125.323 120.400 -0.029 0.000 2.234 107 K HA 0.645 nan 4.320 nan 0.000 0.282 107 K C -1.332 175.064 176.600 -0.340 0.000 1.039 107 K CA -0.959 54.929 56.287 -0.664 0.000 0.928 107 K CB 1.794 33.784 32.500 -0.850 0.000 1.039 107 K HN 0.727 8.917 8.250 0.083 0.110 0.470 108 L N 6.476 127.498 121.223 -0.337 0.000 2.379 108 L HA 0.102 nan 4.340 nan 0.000 0.269 108 L C -1.044 175.725 176.870 -0.168 0.000 1.084 108 L CA -0.191 54.547 54.840 -0.171 0.000 0.802 108 L CB 0.627 42.620 42.059 -0.110 0.000 1.175 108 L HN 0.723 8.656 8.230 -0.495 0.000 0.448 109 K N 2.721 123.059 120.400 -0.103 0.000 1.991 109 K HA -0.159 nan 4.320 nan 0.000 0.207 109 K C 0.837 177.395 176.600 -0.070 0.000 1.045 109 K CA 1.410 57.647 56.287 -0.084 0.000 0.937 109 K CB 0.693 33.158 32.500 -0.058 0.000 0.720 109 K HN 0.007 8.210 8.250 -0.079 0.000 0.438 110 R N -0.645 119.825 120.500 -0.051 0.000 2.643 110 R HA 0.127 nan 4.340 nan 0.000 0.270 110 R C -2.075 174.197 176.300 -0.046 0.000 1.061 110 R CA -1.659 54.419 56.100 -0.037 0.000 1.107 110 R CB -0.599 29.688 30.300 -0.020 0.000 0.999 110 R HN -0.382 7.861 8.270 -0.044 0.000 0.460 111 P HA 0.049 nan 4.420 nan 0.000 0.278 111 P C -1.288 176.011 177.300 -0.001 0.000 1.238 111 P CA 0.025 63.113 63.100 -0.020 0.000 0.794 111 P CB 0.636 32.331 31.700 -0.009 0.000 0.955 112 I N 1.464 122.041 120.570 0.013 0.000 2.707 112 I HA 0.247 nan 4.170 nan 0.000 0.309 112 I C -0.535 175.604 176.117 0.037 0.000 1.001 112 I CA -2.273 59.042 61.300 0.025 0.000 1.129 112 I CB 2.163 40.185 38.000 0.037 0.000 1.308 112 I HN -0.003 8.217 8.210 0.016 0.000 0.466 113 E N 4.203 124.427 120.200 0.039 0.000 2.185 113 E HA 0.213 nan 4.350 nan 0.000 0.261 113 E C -1.341 175.293 176.600 0.056 0.000 0.879 113 E CA -1.379 55.047 56.400 0.043 0.000 0.756 113 E CB 1.562 31.280 29.700 0.031 0.000 1.152 113 E HN 0.191 8.573 8.360 0.037 0.000 0.416 114 L N 4.168 125.433 121.223 0.070 0.000 2.483 114 L HA -0.019 nan 4.340 nan 0.000 0.275 114 L C -0.482 176.426 176.870 0.064 0.000 1.220 114 L CA 0.636 55.533 54.840 0.094 0.000 0.833 114 L CB -0.013 42.128 42.059 0.136 0.000 1.102 114 L HN 0.404 8.674 8.230 0.067 0.000 0.490 115 S N 1.059 116.793 115.700 0.057 0.000 2.900 115 S HA 0.191 nan 4.470 nan 0.000 0.320 115 S C 0.709 175.260 174.600 -0.082 0.000 1.130 115 S CA -1.255 56.961 58.200 0.026 0.000 0.863 115 S CB 1.904 65.170 63.200 0.110 0.000 1.295 115 S HN 0.252 8.506 8.310 0.074 0.100 0.596 116 D N 0.984 121.261 120.400 -0.204 0.000 2.190 116 D HA -0.144 nan 4.640 nan 0.000 0.200 116 D C -0.024 175.998 176.300 -0.463 0.000 0.992 116 D CA 2.884 56.593 54.000 -0.484 0.000 0.854 116 D CB -0.001 40.223 40.800 -0.960 0.000 0.936 116 D HN 0.651 8.933 8.370 -0.147 0.000 0.462 117 Y N -5.411 114.840 120.300 -0.081 0.000 2.481 117 Y HA 0.090 nan 4.550 nan 0.000 0.247 117 Y C -1.021 174.848 175.900 -0.051 0.000 1.151 117 Y CA -0.405 57.648 58.100 -0.078 0.000 1.238 117 Y CB 1.626 40.047 38.460 -0.065 0.000 1.179 117 Y HN -0.606 7.629 8.280 0.028 0.062 0.524 118 I N -1.184 119.453 120.570 0.112 0.000 2.500 118 I HA 0.232 nan 4.170 nan 0.000 0.286 118 I C -2.070 174.153 176.117 0.176 0.000 1.063 118 I CA -0.534 60.834 61.300 0.113 0.000 1.062 118 I CB 3.358 41.420 38.000 0.104 0.000 1.223 118 I HN -0.993 7.104 8.210 0.066 0.153 0.435 119 H N 9.300 128.392 119.070 0.037 0.000 3.140 119 H HA 0.225 nan 4.556 nan 0.000 0.336 119 H C -3.014 172.435 175.328 0.201 0.000 1.142 119 H CA -1.675 54.419 56.048 0.077 0.000 1.308 119 H CB 3.418 33.191 29.762 0.019 0.000 1.970 119 H HN -0.066 8.224 8.280 0.158 0.086 0.521 120 P HA 0.029 nan 4.420 nan 0.000 0.275 120 P C -1.573 175.776 177.300 0.082 0.000 1.227 120 P CA -0.679 62.418 63.100 -0.004 0.000 0.781 120 P CB 0.591 32.243 31.700 -0.080 0.000 0.906 121 V N 1.703 121.658 119.914 0.069 0.000 3.083 121 V HA 0.143 nan 4.120 nan 0.000 0.306 121 V C 0.256 176.214 176.094 -0.226 0.000 1.077 121 V CA -1.538 60.590 62.300 -0.286 0.000 1.073 121 V CB 2.051 33.396 31.823 -0.796 0.000 1.081 121 V HN -0.384 7.875 8.190 0.114 0.000 0.474 122 C N 5.516 124.620 119.300 -0.326 0.000 2.452 122 C HA 0.252 nan 4.460 nan 0.000 0.379 122 C C -0.705 174.191 174.990 -0.156 0.000 1.275 122 C CA -0.607 58.203 59.018 -0.348 0.000 2.056 122 C CB -0.643 26.593 27.740 -0.840 0.000 2.506 122 C HN 0.011 8.001 8.230 -0.401 0.000 0.560 123 L N 3.134 124.359 121.223 0.003 0.000 2.380 123 L HA 0.247 nan 4.340 nan 0.000 0.273 123 L C -1.199 175.897 176.870 0.376 0.000 1.138 123 L CA -1.980 52.957 54.840 0.161 0.000 0.832 123 L CB 0.043 42.176 42.059 0.124 0.000 1.124 123 L HN 0.533 8.751 8.230 -0.020 0.000 0.454 124 P HA 0.012 nan 4.420 nan 0.000 0.268 124 P C -1.542 175.880 177.300 0.204 0.000 1.204 124 P CA -0.556 62.685 63.100 0.236 0.000 0.768 124 P CB 0.240 31.960 31.700 0.033 0.000 0.842 125 D N 1.651 122.037 120.400 -0.024 0.000 2.478 125 D HA 0.021 nan 4.640 nan 0.000 0.263 125 D C 0.590 176.631 176.300 -0.431 0.000 1.153 125 D CA -1.383 52.617 54.000 -0.001 0.000 1.038 125 D CB 2.176 42.999 40.800 0.038 0.000 1.120 125 D HN -0.325 7.944 8.370 -0.169 0.000 0.564 126 K N -1.425 118.875 120.400 -0.167 0.000 2.074 126 K HA -0.354 nan 4.320 nan 0.000 0.209 126 K C 2.218 178.657 176.600 -0.269 0.000 1.048 126 K CA 2.868 59.026 56.287 -0.215 0.000 0.926 126 K CB -0.254 32.291 32.500 0.075 0.000 0.713 126 K HN 0.328 8.651 8.250 0.122 0.000 0.444 127 Q N -4.029 115.648 119.800 -0.205 0.000 2.049 127 Q HA -0.091 nan 4.340 nan 0.000 0.198 127 Q C 1.177 177.014 176.000 -0.271 0.000 0.971 127 Q CA 1.196 56.889 55.803 -0.183 0.000 0.833 127 Q CB -0.095 28.564 28.738 -0.131 0.000 0.896 127 Q HN -0.361 8.031 8.270 -0.164 -0.221 0.434 128 T N 2.294 116.614 114.554 -0.390 0.000 2.736 128 T HA -0.206 nan 4.350 nan 0.000 0.275 128 T C 0.793 175.203 174.700 -0.484 0.000 0.962 128 T CA 1.758 63.547 62.100 -0.517 0.000 1.214 128 T CB -1.163 67.159 68.868 -0.910 0.000 0.904 128 T HN -0.628 7.595 8.240 -0.386 -0.215 0.529 129 L N 4.506 125.529 121.223 -0.334 0.000 2.143 129 L HA -0.343 nan 4.340 nan 0.000 0.481 129 L C -1.145 175.566 176.870 -0.264 0.000 0.721 129 L CA 1.754 56.465 54.840 -0.214 0.000 3.051 129 L CB -0.197 41.721 42.059 -0.234 0.000 0.790 129 L HN 0.764 8.797 8.230 -0.327 0.000 0.723 130 L N 0.592 121.566 121.223 -0.415 0.000 2.451 130 L HA -0.097 nan 4.340 nan 0.000 0.272 130 L C -0.777 175.837 176.870 -0.427 0.000 1.258 130 L CA 0.424 55.027 54.840 -0.396 0.000 1.132 130 L CB -1.813 40.025 42.059 -0.368 0.000 1.361 130 L HN -0.134 7.850 8.230 -0.411 0.000 0.438 131 H N 2.293 121.218 119.070 -0.243 0.000 2.949 131 H HA 0.250 nan 4.556 nan 0.000 0.356 131 H C -1.010 174.073 175.328 -0.409 0.000 1.212 131 H CA -1.777 54.031 56.048 -0.399 0.000 1.136 131 H CB 3.037 32.412 29.762 -0.645 0.000 1.869 131 H HN -0.211 7.875 8.280 -0.275 0.029 0.556 132 A N -0.702 121.994 122.820 -0.208 0.000 2.409 132 A HA -0.058 nan 4.320 nan 0.000 0.267 132 A C 0.255 177.717 177.584 -0.205 0.000 1.127 132 A CA 0.630 52.562 52.037 -0.175 0.000 0.795 132 A CB -0.731 18.180 19.000 -0.149 0.000 1.061 132 A HN 0.233 8.278 8.150 -0.175 0.000 0.502 133 G N 4.023 112.766 108.800 -0.096 0.000 2.284 133 G HA2 -0.359 nan 3.960 nan 0.000 0.230 133 G HA3 -0.359 nan 3.960 nan 0.000 0.230 133 G C -0.734 174.291 174.900 0.209 0.000 1.021 133 G CA -0.199 44.900 45.100 -0.002 0.000 0.619 133 G HN 0.586 8.831 8.290 -0.075 0.000 0.510 134 F N 3.808 123.737 119.950 -0.035 0.000 2.504 134 F HA -0.083 nan 4.527 nan 0.000 0.369 134 F C -0.334 175.441 175.800 -0.042 0.000 1.082 134 F CA -1.575 56.397 58.000 -0.048 0.000 1.216 134 F CB -0.168 38.786 39.000 -0.076 0.000 1.108 134 F HN -0.767 7.457 8.300 -0.012 0.069 0.554 135 K N 3.464 123.935 120.400 0.118 0.000 2.118 135 K HA 0.621 nan 4.320 nan 0.000 0.267 135 K C -0.562 176.005 176.600 -0.054 0.000 0.991 135 K CA -0.606 55.698 56.287 0.029 0.000 0.916 135 K CB 1.495 33.997 32.500 0.005 0.000 1.041 135 K HN 0.162 8.460 8.250 0.080 0.000 0.455 136 G N -0.436 108.215 108.800 -0.249 0.000 2.730 136 G HA2 0.659 nan 3.960 nan 0.000 0.289 136 G HA3 0.659 nan 3.960 nan 0.000 0.289 136 G C -2.855 171.561 174.900 -0.806 0.000 1.341 136 G CA -1.099 43.658 45.100 -0.572 0.000 0.932 136 G HN 0.381 8.517 8.290 -0.256 0.000 0.481 137 R N -1.024 119.074 120.500 -0.671 0.000 2.460 137 R HA 0.855 nan 4.340 nan 0.000 0.303 137 R C -1.448 174.655 176.300 -0.328 0.000 0.968 137 R CA -1.288 54.609 56.100 -0.338 0.000 0.889 137 R CB 2.676 32.934 30.300 -0.069 0.000 1.123 137 R HN 0.453 8.358 8.270 -0.610 0.000 0.455 138 V N 6.859 126.692 119.914 -0.135 0.000 2.540 138 V HA 0.696 nan 4.120 nan 0.000 0.302 138 V C -1.590 174.509 176.094 0.009 0.000 1.035 138 V CA -1.509 60.805 62.300 0.024 0.000 0.873 138 V CB 2.260 34.184 31.823 0.168 0.000 0.992 138 V HN 0.470 8.598 8.190 -0.102 0.000 0.428 139 T N 1.045 115.605 114.554 0.010 0.000 2.887 139 T HA 0.751 nan 4.350 nan 0.000 0.288 139 T C -0.843 173.798 174.700 -0.100 0.000 1.021 139 T CA -2.814 59.235 62.100 -0.086 0.000 1.000 139 T CB 2.364 71.148 68.868 -0.139 0.000 1.034 139 T HN 0.217 8.491 8.240 0.056 0.000 0.467 140 G N 1.235 109.903 108.800 -0.219 0.000 2.341 140 G HA2 0.213 nan 3.960 nan 0.000 0.299 140 G HA3 0.213 nan 3.960 nan 0.000 0.299 140 G C -2.206 172.510 174.900 -0.306 0.000 1.274 140 G CA 0.661 45.613 45.100 -0.247 0.000 0.853 140 G HN -0.314 7.827 8.290 -0.248 0.000 0.493 141 W N 0.670 121.997 121.300 0.045 0.000 3.132 141 W HA 0.398 nan 4.660 nan 0.000 0.364 141 W C -0.696 175.843 176.519 0.034 0.000 1.129 141 W CA -1.061 56.303 57.345 0.031 0.000 1.815 141 W CB 1.482 30.968 29.460 0.042 0.000 1.099 141 W HN 0.568 8.960 8.180 0.353 0.000 0.605 142 G N -0.375 108.548 108.800 0.206 0.000 2.547 142 G HA2 0.015 nan 3.960 nan 0.000 0.291 142 G HA3 0.015 nan 3.960 nan 0.000 0.291 142 G C -1.151 173.811 174.900 0.105 0.000 1.211 142 G CA -1.132 44.055 45.100 0.145 0.000 0.950 142 G HN -0.704 7.905 8.290 0.158 -0.225 0.504 143 N N 0.617 119.365 118.700 0.080 0.000 1.830 143 N HA -0.398 nan 4.740 nan 0.000 0.322 143 N C 0.673 176.220 175.510 0.061 0.000 1.272 143 N CA 1.563 54.652 53.050 0.065 0.000 0.789 143 N CB -0.528 37.992 38.487 0.057 0.000 1.014 143 N HN -0.224 8.200 8.380 0.074 0.000 0.502 144 R N 1.797 122.330 120.500 0.054 0.000 2.299 144 R HA -0.118 nan 4.340 nan 0.000 0.197 144 R C -0.779 175.547 176.300 0.044 0.000 0.971 144 R CA 1.498 57.626 56.100 0.046 0.000 1.030 144 R CB 0.802 31.126 30.300 0.040 0.000 0.932 144 R HN 0.659 8.853 8.270 0.055 0.110 0.477 145 R N -5.004 115.524 120.500 0.047 0.000 2.734 145 R HA 0.153 nan 4.340 nan 0.000 0.271 145 R C -1.738 174.595 176.300 0.054 0.000 1.021 145 R CA -1.912 54.217 56.100 0.048 0.000 0.893 145 R CB 2.100 32.426 30.300 0.043 0.000 1.244 145 R HN -0.832 7.431 8.270 0.050 0.036 0.464 146 E N -0.553 119.682 120.200 0.058 0.000 2.413 146 E HA -0.065 nan 4.350 nan 0.000 0.263 146 E C -0.596 176.053 176.600 0.081 0.000 1.015 146 E CA 0.857 57.298 56.400 0.069 0.000 0.916 146 E CB 0.489 30.234 29.700 0.075 0.000 0.947 146 E HN 0.207 8.600 8.360 0.054 0.000 0.440 147 T N 1.588 116.197 114.554 0.091 0.000 2.883 147 T HA 0.252 nan 4.350 nan 0.000 0.301 147 T C -1.061 173.747 174.700 0.179 0.000 1.158 147 T CA -0.649 61.523 62.100 0.120 0.000 1.007 147 T CB 1.936 70.853 68.868 0.082 0.000 1.186 147 T HN 0.173 8.731 8.240 0.079 -0.270 0.499 148 W N 2.807 124.114 121.300 0.012 0.000 3.139 148 W HA 0.053 nan 4.660 nan 0.000 0.260 148 W C 0.155 176.678 176.519 0.008 0.000 1.312 148 W CA -0.087 57.263 57.345 0.008 0.000 1.606 148 W CB 0.454 29.918 29.460 0.006 0.000 1.118 148 W HN 0.323 8.703 8.180 0.334 0.000 0.675 149 E N -5.307 114.914 120.200 0.035 0.000 4.211 149 E HA -0.246 nan 4.350 nan 0.000 0.427 149 E C -1.396 175.226 176.600 0.037 0.000 0.520 149 E CA 0.843 57.264 56.400 0.034 0.000 1.485 149 E CB -1.125 28.596 29.700 0.035 0.000 1.966 149 E HN -0.216 8.394 8.360 0.036 -0.229 0.326 150 V N -6.466 113.472 119.914 0.041 0.000 2.778 150 V HA 0.400 nan 4.120 nan 0.000 0.356 150 V C -1.594 174.532 176.094 0.053 0.000 1.283 150 V CA -2.061 60.266 62.300 0.045 0.000 1.247 150 V CB -1.173 30.677 31.823 0.045 0.000 1.408 150 V HN -0.191 8.023 8.190 0.040 0.000 0.620 151 Q N 1.334 121.167 119.800 0.056 0.000 2.331 151 Q HA 0.589 nan 4.340 nan 0.000 0.267 151 Q C -2.459 173.591 176.000 0.083 0.000 1.006 151 Q CA -3.250 52.596 55.803 0.073 0.000 0.818 151 Q CB 1.847 30.622 28.738 0.061 0.000 1.276 151 Q HN -0.479 7.765 8.270 0.050 0.056 0.450 152 P HA 0.256 nan 4.420 nan 0.000 0.292 152 P C -0.468 176.923 177.300 0.150 0.000 1.287 152 P CA -0.679 62.491 63.100 0.117 0.000 0.800 152 P CB 1.855 33.620 31.700 0.108 0.000 0.945 153 S N 3.322 119.082 115.700 0.100 0.000 2.433 153 S HA -0.538 nan 4.470 nan 0.000 0.276 153 S C -0.062 174.620 174.600 0.138 0.000 1.122 153 S CA 2.918 61.175 58.200 0.094 0.000 1.277 153 S CB 0.054 63.296 63.200 0.069 0.000 1.198 153 S HN 0.419 8.776 8.310 0.077 0.000 0.440 154 V N -0.767 119.212 119.914 0.108 0.000 2.715 154 V HA 0.296 nan 4.120 nan 0.000 0.310 154 V C -0.391 175.672 176.094 -0.053 0.000 1.054 154 V CA -2.040 60.263 62.300 0.005 0.000 0.928 154 V CB 2.769 34.534 31.823 -0.097 0.000 1.007 154 V HN -0.575 7.668 8.190 0.087 0.000 0.437 155 L N 7.800 128.847 121.223 -0.294 0.000 2.693 155 L HA -0.209 nan 4.340 nan 0.000 0.292 155 L C -1.331 175.282 176.870 -0.428 0.000 1.243 155 L CA 1.710 56.043 54.840 -0.844 0.000 0.903 155 L CB 0.632 42.169 42.059 -0.869 0.000 1.160 155 L HN 0.255 8.450 8.230 -0.058 0.000 0.496 156 Q N 4.090 123.672 119.800 -0.363 0.000 2.226 156 Q HA 0.739 nan 4.340 nan 0.000 0.256 156 Q C -0.760 175.144 176.000 -0.160 0.000 0.962 156 Q CA -1.324 54.372 55.803 -0.178 0.000 0.887 156 Q CB 2.603 31.282 28.738 -0.100 0.000 1.282 156 Q HN 0.004 7.990 8.270 -0.474 0.000 0.449 157 V N -2.431 117.428 119.914 -0.091 0.000 2.769 157 V HA 0.811 nan 4.120 nan 0.000 0.312 157 V C -2.085 173.999 176.094 -0.017 0.000 1.061 157 V CA -2.153 60.112 62.300 -0.057 0.000 0.931 157 V CB 2.214 34.009 31.823 -0.047 0.000 1.010 157 V HN 0.450 8.597 8.190 -0.072 0.000 0.433 158 V N 2.372 122.286 119.914 0.001 0.000 3.049 158 V HA 0.428 nan 4.120 nan 0.000 0.309 158 V C -2.903 173.205 176.094 0.024 0.000 1.148 158 V CA -1.503 60.817 62.300 0.033 0.000 0.990 158 V CB 4.169 36.030 31.823 0.064 0.000 1.039 158 V HN 0.152 8.336 8.190 -0.010 0.000 0.430 159 N N 3.291 122.024 118.700 0.055 0.000 2.321 159 N HA 0.884 nan 4.740 nan 0.000 0.299 159 N C -1.435 174.133 175.510 0.097 0.000 1.048 159 N CA -0.299 52.767 53.050 0.027 0.000 0.836 159 N CB 2.616 41.129 38.487 0.043 0.000 1.269 159 N HN 0.216 8.651 8.380 0.092 0.000 0.486 160 L N 1.215 122.445 121.223 0.013 0.000 2.455 160 L HA 0.546 nan 4.340 nan 0.000 0.264 160 L C -2.645 174.210 176.870 -0.025 0.000 0.968 160 L CA -3.171 51.699 54.840 0.049 0.000 0.827 160 L CB 3.483 45.630 42.059 0.146 0.000 1.317 160 L HN 0.796 8.958 8.230 -0.114 0.000 0.407 161 P HA 0.198 nan 4.420 nan 0.000 0.271 161 P C -1.269 176.045 177.300 0.024 0.000 1.216 161 P CA -0.441 62.599 63.100 -0.100 0.000 0.776 161 P CB 0.321 31.867 31.700 -0.258 0.000 0.881 162 L N 1.840 123.107 121.223 0.072 0.000 2.397 162 L HA 0.285 nan 4.340 nan 0.000 0.271 162 L C -0.235 176.600 176.870 -0.058 0.000 1.148 162 L CA 0.236 55.088 54.840 0.021 0.000 0.825 162 L CB 0.270 42.296 42.059 -0.055 0.000 1.117 162 L HN 0.119 8.404 8.230 0.092 0.000 0.456 163 V N 3.185 123.046 119.914 -0.088 0.000 2.435 163 V HA 0.182 nan 4.120 nan 0.000 0.290 163 V C -0.809 175.189 176.094 -0.160 0.000 1.030 163 V CA -1.412 60.781 62.300 -0.178 0.000 0.881 163 V CB 1.533 33.140 31.823 -0.360 0.000 0.983 163 V HN 0.108 8.262 8.190 -0.059 0.000 0.445 164 E N 6.174 126.281 120.200 -0.154 0.000 2.459 164 E HA -0.234 nan 4.350 nan 0.000 0.264 164 E C 0.614 177.148 176.600 -0.109 0.000 1.055 164 E CA 0.305 56.634 56.400 -0.118 0.000 0.957 164 E CB 0.625 30.263 29.700 -0.103 0.000 0.952 164 E HN 0.225 8.492 8.360 -0.155 0.000 0.448 165 R N 2.061 122.528 120.500 -0.056 0.000 2.073 165 R HA -0.215 nan 4.340 nan 0.000 0.234 165 R C -0.087 176.201 176.300 -0.020 0.000 1.134 165 R CA 5.173 61.261 56.100 -0.019 0.000 0.952 165 R CB -1.707 28.599 30.300 0.011 0.000 0.850 165 R HN 0.740 8.983 8.270 -0.044 0.000 0.433 166 P HA -0.250 nan 4.420 nan 0.000 0.208 166 P C 1.132 178.417 177.300 -0.025 0.000 1.189 166 P CA 2.817 65.907 63.100 -0.018 0.000 0.931 166 P CB -0.839 30.847 31.700 -0.024 0.000 0.783 167 V N -3.340 116.537 119.914 -0.061 0.000 2.481 167 V HA -0.365 nan 4.120 nan 0.000 0.263 167 V C 1.175 177.134 176.094 -0.225 0.000 1.108 167 V CA 2.395 64.620 62.300 -0.126 0.000 1.113 167 V CB -0.632 31.088 31.823 -0.172 0.000 0.684 167 V HN 0.028 8.183 8.190 -0.058 0.000 0.467 168 c N -0.800 117.685 118.600 -0.192 0.000 2.541 168 c HA -0.185 nan 4.570 nan 0.000 0.282 168 c C 2.071 176.244 174.090 0.139 0.000 1.263 168 c CA 2.948 59.220 56.329 -0.096 0.000 1.709 168 c CB -1.350 41.127 42.510 -0.055 0.000 2.097 168 c HN -0.479 7.582 8.230 -0.192 0.054 0.480 169 K N 0.428 120.907 120.400 0.132 0.000 2.090 169 K HA -0.473 nan 4.320 nan 0.000 0.218 169 K C 2.217 178.900 176.600 0.137 0.000 1.055 169 K CA 3.000 59.368 56.287 0.135 0.000 0.941 169 K CB -0.458 32.089 32.500 0.077 0.000 0.722 169 K HN 0.205 8.506 8.250 0.086 0.000 0.458 170 A N -4.889 117.993 122.820 0.103 0.000 2.167 170 A HA 0.048 nan 4.320 nan 0.000 0.214 170 A C 1.029 178.704 177.584 0.152 0.000 1.151 170 A CA 1.972 54.072 52.037 0.104 0.000 0.735 170 A CB -0.685 18.357 19.000 0.070 0.000 0.802 170 A HN -0.076 8.102 8.150 0.068 0.012 0.467 171 S N -3.620 112.211 115.700 0.218 0.000 2.496 171 S HA -0.070 nan 4.470 nan 0.000 0.224 171 S C 0.057 174.829 174.600 0.287 0.000 0.996 171 S CA 1.736 60.117 58.200 0.301 0.000 0.927 171 S CB 1.371 64.866 63.200 0.492 0.000 0.774 171 S HN -0.211 8.054 8.310 0.215 0.174 0.524 172 T N -0.217 114.506 114.554 0.281 0.000 2.900 172 T HA 0.233 nan 4.350 nan 0.000 0.295 172 T C -0.408 174.397 174.700 0.176 0.000 1.044 172 T CA -1.172 61.101 62.100 0.289 0.000 0.995 172 T CB 2.011 71.142 68.868 0.439 0.000 1.072 172 T HN -0.835 7.490 8.240 0.242 0.060 0.473 173 R N 4.306 124.877 120.500 0.119 0.000 2.285 173 R HA -0.039 nan 4.340 nan 0.000 0.213 173 R C 0.151 176.474 176.300 0.039 0.000 1.068 173 R CA 1.585 57.722 56.100 0.062 0.000 1.004 173 R CB 0.312 30.628 30.300 0.027 0.000 0.873 173 R HN 0.547 8.890 8.270 0.122 0.000 0.467 174 I N -2.143 118.459 120.570 0.053 0.000 2.577 174 I HA -0.023 nan 4.170 nan 0.000 0.305 174 I C -1.308 174.819 176.117 0.017 0.000 0.986 174 I CA -2.298 58.996 61.300 -0.010 0.000 1.189 174 I CB 1.777 39.714 38.000 -0.106 0.000 1.355 174 I HN -1.007 7.187 8.210 0.117 0.086 0.476 175 R N 5.482 125.971 120.500 -0.018 0.000 2.343 175 R HA -0.095 nan 4.340 nan 0.000 0.326 175 R C -1.285 175.026 176.300 0.018 0.000 1.055 175 R CA 0.424 56.523 56.100 -0.002 0.000 0.961 175 R CB -0.200 30.082 30.300 -0.030 0.000 0.978 175 R HN 0.286 8.522 8.270 -0.057 0.000 0.443 176 I N 6.165 126.759 120.570 0.039 0.000 2.365 176 I HA 0.029 nan 4.170 nan 0.000 0.291 176 I C 0.028 176.180 176.117 0.057 0.000 1.004 176 I CA -2.473 58.859 61.300 0.053 0.000 1.311 176 I CB 0.328 38.392 38.000 0.106 0.000 1.401 176 I HN 0.104 8.342 8.210 0.047 0.000 0.491 177 T N 2.323 116.913 114.554 0.060 0.000 2.927 177 T HA 0.308 nan 4.350 nan 0.000 0.281 177 T C 1.126 175.868 174.700 0.069 0.000 0.998 177 T CA -1.854 60.275 62.100 0.049 0.000 1.019 177 T CB 2.369 71.256 68.868 0.031 0.000 1.061 177 T HN -0.170 8.110 8.240 0.067 0.000 0.518 178 D N 0.656 121.084 120.400 0.046 0.000 2.389 178 D HA -0.195 nan 4.640 nan 0.000 0.221 178 D C 0.607 176.931 176.300 0.040 0.000 0.974 178 D CA 2.750 56.775 54.000 0.042 0.000 0.923 178 D CB -0.492 40.310 40.800 0.005 0.000 0.892 178 D HN 0.469 8.857 8.370 0.029 0.000 0.518 179 N N -2.050 116.685 118.700 0.059 0.000 2.461 179 N HA -0.024 nan 4.740 nan 0.000 0.188 179 N C -1.200 174.426 175.510 0.193 0.000 1.134 179 N CA 0.398 53.508 53.050 0.099 0.000 0.878 179 N CB 0.258 38.783 38.487 0.063 0.000 0.972 179 N HN 0.131 8.486 8.380 0.049 0.054 0.456 180 M N -1.370 118.348 119.600 0.196 0.000 2.716 180 M HA 0.708 nan 4.480 nan 0.000 0.307 180 M C -2.397 174.066 176.300 0.271 0.000 1.223 180 M CA -0.031 55.352 55.300 0.138 0.000 0.871 180 M CB 4.768 37.437 32.600 0.115 0.000 1.739 180 M HN -0.461 7.879 8.290 0.190 0.064 0.475 181 F N -4.641 115.393 119.950 0.139 0.000 2.662 181 F HA 0.889 nan 4.527 nan 0.000 0.312 181 F C -2.743 173.026 175.800 -0.053 0.000 1.113 181 F CA -2.380 55.643 58.000 0.040 0.000 0.951 181 F CB 2.789 41.756 39.000 -0.056 0.000 1.344 181 F HN 0.661 8.675 8.300 -0.478 0.000 0.462 182 c N -2.590 115.995 118.600 -0.026 0.000 2.493 182 c HA 0.948 nan 4.570 nan 0.000 0.326 182 c C -1.715 172.396 174.090 0.034 0.000 1.200 182 c CA -4.047 52.103 56.329 -0.298 0.000 1.739 182 c CB 2.833 44.784 42.510 -0.932 0.000 2.300 182 c HN 0.334 8.599 8.230 0.057 0.000 0.500 183 A N 1.956 124.900 122.820 0.208 0.000 2.384 183 A HA 0.819 nan 4.320 nan 0.000 0.312 183 A C -2.226 175.533 177.584 0.291 0.000 1.113 183 A CA -1.875 50.317 52.037 0.259 0.000 0.779 183 A CB 3.151 22.394 19.000 0.406 0.000 1.307 183 A HN 0.316 8.620 8.150 0.257 0.000 0.436 184 Y N -0.010 120.386 120.300 0.160 0.000 2.442 184 Y HA -0.261 nan 4.550 nan 0.000 0.330 184 Y C -0.132 175.872 175.900 0.173 0.000 1.129 184 Y CA 0.441 58.624 58.100 0.139 0.000 1.365 184 Y CB 0.772 39.275 38.460 0.073 0.000 1.233 184 Y HN -0.012 8.467 8.280 0.331 0.000 0.529 185 K N 3.066 123.639 120.400 0.289 0.000 2.442 185 K HA -0.148 nan 4.320 nan 0.000 0.198 185 K C -0.465 176.250 176.600 0.190 0.000 1.042 185 K CA 0.363 56.816 56.287 0.277 0.000 0.958 185 K CB -0.360 32.258 32.500 0.195 0.000 0.766 185 K HN 0.554 8.923 8.250 0.198 0.000 0.474 186 K N -2.383 117.809 120.400 -0.348 0.000 2.315 186 K HA -0.368 nan 4.320 nan 0.000 0.278 186 K C -0.660 175.535 176.600 -0.675 0.000 1.367 186 K CA 0.910 56.833 56.287 -0.606 0.000 1.203 186 K CB -0.136 31.822 32.500 -0.904 0.000 0.726 186 K HN 0.068 8.118 8.250 -0.334 0.000 0.477 187 R N -0.692 119.549 120.500 -0.432 0.000 2.947 187 R HA 0.470 nan 4.340 nan 0.000 0.253 187 R C -1.306 174.978 176.300 -0.026 0.000 1.208 187 R CA -0.944 55.075 56.100 -0.135 0.000 1.012 187 R CB 3.270 33.535 30.300 -0.058 0.000 1.267 187 R HN 0.041 8.082 8.270 -0.381 0.000 0.473 188 G N -1.636 107.211 108.800 0.079 0.000 2.307 188 G HA2 -0.132 nan 3.960 nan 0.000 0.348 188 G HA3 -0.132 nan 3.960 nan 0.000 0.348 188 G C -3.185 171.801 174.900 0.144 0.000 1.603 188 G CA -0.236 44.927 45.100 0.105 0.000 0.961 188 G HN -0.222 8.333 8.290 0.087 -0.213 0.686 189 D N -1.129 119.346 120.400 0.123 0.000 2.685 189 D HA 0.352 nan 4.640 nan 0.000 0.236 189 D C -1.659 174.720 176.300 0.131 0.000 1.233 189 D CA -0.566 53.516 54.000 0.137 0.000 0.760 189 D CB 3.911 44.768 40.800 0.096 0.000 1.410 189 D HN 0.117 8.458 8.370 0.101 0.090 0.439 190 A N 0.939 123.854 122.820 0.159 0.000 2.387 190 A HA 0.036 nan 4.320 nan 0.000 0.251 190 A C -1.921 175.716 177.584 0.089 0.000 1.113 190 A CA 0.564 52.676 52.037 0.126 0.000 0.794 190 A CB 0.878 19.962 19.000 0.139 0.000 1.069 190 A HN 0.392 8.671 8.150 0.215 0.000 0.506 191 c N -2.707 115.944 118.600 0.085 0.000 3.037 191 c HA 0.068 nan 4.570 nan 0.000 0.335 191 c C -1.810 172.327 174.090 0.078 0.000 1.333 191 c CA -0.667 55.707 56.329 0.076 0.000 1.211 191 c CB 2.888 45.440 42.510 0.071 0.000 1.377 191 c HN -0.214 8.121 8.230 0.095 -0.048 0.451 192 E N 1.658 121.897 120.200 0.064 0.000 2.498 192 E HA -0.245 nan 4.350 nan 0.000 0.252 192 E C 0.022 176.662 176.600 0.067 0.000 1.025 192 E CA 1.791 58.225 56.400 0.056 0.000 0.938 192 E CB -1.027 28.687 29.700 0.024 0.000 0.947 192 E HN 0.289 8.684 8.360 0.057 0.000 0.478 193 G N 5.035 113.886 108.800 0.086 0.000 2.316 193 G HA2 -0.326 nan 3.960 nan 0.000 0.203 193 G HA3 -0.326 nan 3.960 nan 0.000 0.203 193 G C -0.043 174.940 174.900 0.139 0.000 0.999 193 G CA 0.404 45.564 45.100 0.099 0.000 0.649 193 G HN 0.098 8.448 8.290 0.099 0.000 0.489 194 D N 1.390 121.871 120.400 0.136 0.000 2.349 194 D HA 0.144 nan 4.640 nan 0.000 0.214 194 D C 0.237 176.636 176.300 0.165 0.000 1.063 194 D CA 0.420 54.507 54.000 0.145 0.000 0.847 194 D CB 0.531 41.408 40.800 0.128 0.000 0.933 194 D HN 0.216 8.587 8.370 0.121 0.072 0.513 195 S N -1.080 114.731 115.700 0.185 0.000 2.576 195 S HA -0.077 nan 4.470 nan 0.000 0.276 195 S C 0.700 175.386 174.600 0.144 0.000 1.339 195 S CA 1.436 59.783 58.200 0.246 0.000 1.039 195 S CB 0.507 63.997 63.200 0.484 0.000 0.902 195 S HN -0.485 7.875 8.310 0.178 0.057 0.516 196 G N 3.703 112.561 108.800 0.095 0.000 2.454 196 G HA2 -0.372 nan 3.960 nan 0.000 0.225 196 G HA3 -0.372 nan 3.960 nan 0.000 0.225 196 G C -0.345 174.634 174.900 0.132 0.000 1.138 196 G CA 0.080 45.212 45.100 0.055 0.000 0.667 196 G HN 0.593 8.968 8.290 0.142 0.000 0.512 197 G N 1.616 110.516 108.800 0.166 0.000 2.825 197 G HA2 -0.086 nan 3.960 nan 0.000 0.241 197 G HA3 -0.086 nan 3.960 nan 0.000 0.241 197 G C -2.519 172.510 174.900 0.216 0.000 1.239 197 G CA -0.722 44.492 45.100 0.189 0.000 0.859 197 G HN -0.672 7.623 8.290 0.164 0.094 0.598 198 P HA 0.450 nan 4.420 nan 0.000 0.290 198 P C -2.308 175.148 177.300 0.259 0.000 1.275 198 P CA -1.292 61.929 63.100 0.202 0.000 0.841 198 P CB 1.408 33.187 31.700 0.132 0.000 1.042 199 F N 3.106 123.105 119.950 0.083 0.000 2.388 199 F HA 0.484 nan 4.527 nan 0.000 0.358 199 F C -2.267 173.544 175.800 0.017 0.000 1.122 199 F CA -1.726 56.278 58.000 0.007 0.000 1.056 199 F CB 2.269 41.174 39.000 -0.158 0.000 1.155 199 F HN 0.044 8.462 8.300 0.340 0.086 0.461 200 V N 2.322 122.282 119.914 0.078 0.000 2.864 200 V HA 0.856 nan 4.120 nan 0.000 0.314 200 V C -2.346 173.859 176.094 0.184 0.000 1.073 200 V CA -3.243 59.142 62.300 0.143 0.000 0.956 200 V CB 3.310 35.162 31.823 0.048 0.000 1.023 200 V HN 0.708 8.834 8.190 -0.108 0.000 0.435 201 M N 1.687 121.431 119.600 0.240 0.000 2.457 201 M HA 0.432 nan 4.480 nan 0.000 0.300 201 M C -1.844 174.430 176.300 -0.044 0.000 1.141 201 M CA -0.239 55.111 55.300 0.084 0.000 0.901 201 M CB 4.647 37.272 32.600 0.041 0.000 1.687 201 M HN 0.333 8.775 8.290 0.253 0.000 0.449 202 K N 2.859 122.998 120.400 -0.433 0.000 2.265 202 K HA 0.341 nan 4.320 nan 0.000 0.267 202 K C -0.969 175.368 176.600 -0.439 0.000 0.994 202 K CA -1.225 54.569 56.287 -0.821 0.000 0.860 202 K CB 1.074 32.696 32.500 -1.463 0.000 1.099 202 K HN 0.300 8.327 8.250 -0.372 0.000 0.448 203 S N 6.677 122.218 115.700 -0.266 0.000 2.121 203 S HA -0.062 nan 4.470 nan 0.000 0.153 203 S C -0.784 173.700 174.600 -0.194 0.000 1.392 203 S CA 0.926 59.016 58.200 -0.183 0.000 2.333 203 S CB 0.747 63.909 63.200 -0.064 0.000 0.305 203 S HN 0.485 8.670 8.310 -0.208 0.000 0.351 204 N N 0.573 119.262 118.700 -0.018 0.000 1.456 204 N HA -0.355 nan 4.740 nan 0.000 0.403 204 N C -1.068 174.428 175.510 -0.022 0.000 1.161 204 N CA 0.786 53.835 53.050 -0.001 0.000 0.753 204 N CB -0.192 38.317 38.487 0.035 0.000 0.949 204 N HN 0.176 8.548 8.380 -0.013 0.000 0.554 205 N N 1.335 120.015 118.700 -0.035 0.000 3.193 205 N HA -0.120 nan 4.740 nan 0.000 0.312 205 N C -1.273 174.186 175.510 -0.085 0.000 1.261 205 N CA 0.125 53.128 53.050 -0.079 0.000 1.208 205 N CB -0.098 38.362 38.487 -0.045 0.000 1.471 205 N HN 0.387 8.757 8.380 -0.017 0.000 0.548 206 R N -1.875 118.551 120.500 -0.122 0.000 2.950 206 R HA 0.401 nan 4.340 nan 0.000 0.253 206 R C -1.918 174.229 176.300 -0.256 0.000 1.168 206 R CA -2.043 54.007 56.100 -0.083 0.000 1.014 206 R CB 3.589 33.853 30.300 -0.060 0.000 1.228 206 R HN -0.089 8.079 8.270 -0.123 0.028 0.487 207 W N -3.143 118.076 121.300 -0.135 0.000 2.606 207 W HA 0.541 nan 4.660 nan 0.000 0.332 207 W C -0.690 175.620 176.519 -0.348 0.000 1.052 207 W CA -1.048 56.187 57.345 -0.184 0.000 1.223 207 W CB 2.201 31.482 29.460 -0.299 0.000 1.383 207 W HN 0.266 8.556 8.180 0.182 0.000 0.524 208 Y N -0.540 119.762 120.300 0.004 0.000 2.485 208 Y HA 0.427 nan 4.550 nan 0.000 0.345 208 Y C -1.410 174.465 175.900 -0.041 0.000 0.998 208 Y CA -1.422 56.649 58.100 -0.048 0.000 1.059 208 Y CB 3.895 42.320 38.460 -0.058 0.000 1.234 208 Y HN 1.019 9.464 8.280 0.276 0.000 0.461 209 Q N 2.371 122.226 119.800 0.092 0.000 2.296 209 Q HA 0.388 nan 4.340 nan 0.000 0.257 209 Q C -0.559 175.536 176.000 0.158 0.000 0.942 209 Q CA -0.869 54.986 55.803 0.086 0.000 0.939 209 Q CB 1.263 30.018 28.738 0.028 0.000 1.198 209 Q HN 0.289 8.613 8.270 0.091 0.000 0.429 210 M N 3.972 123.683 119.600 0.185 0.000 2.730 210 M HA 0.218 nan 4.480 nan 0.000 0.258 210 M C -0.436 176.008 176.300 0.240 0.000 1.279 210 M CA 0.714 56.078 55.300 0.106 0.000 1.183 210 M CB 2.136 34.703 32.600 -0.055 0.000 1.291 210 M HN 0.428 8.869 8.290 0.251 0.000 0.518 211 G N -2.893 106.104 108.800 0.328 0.000 2.568 211 G HA2 0.610 nan 3.960 nan 0.000 0.313 211 G HA3 0.610 nan 3.960 nan 0.000 0.313 211 G C -2.794 172.243 174.900 0.228 0.000 1.227 211 G CA -1.849 43.398 45.100 0.244 0.000 0.979 211 G HN -0.702 7.781 8.290 0.321 0.000 0.486 212 I N -0.445 120.242 120.570 0.195 0.000 2.509 212 I HA 0.368 nan 4.170 nan 0.000 0.293 212 I C -0.543 175.732 176.117 0.263 0.000 1.020 212 I CA -1.365 60.069 61.300 0.224 0.000 1.088 212 I CB 3.975 42.063 38.000 0.147 0.000 1.267 212 I HN -0.313 8.035 8.210 0.100 -0.078 0.430 213 V N 7.898 127.992 119.914 0.300 0.000 2.416 213 V HA -0.185 nan 4.120 nan 0.000 0.267 213 V C -0.565 175.585 176.094 0.093 0.000 1.007 213 V CA 1.550 63.930 62.300 0.133 0.000 1.102 213 V CB -2.531 29.424 31.823 0.220 0.000 1.035 213 V HN 0.426 8.795 8.190 0.298 0.000 0.473 214 S N 8.524 124.189 115.700 -0.057 0.000 2.338 214 S HA 0.410 nan 4.470 nan 0.000 0.197 214 S C -0.644 174.031 174.600 0.125 0.000 0.990 214 S CA 0.764 59.044 58.200 0.134 0.000 0.920 214 S CB 1.020 64.281 63.200 0.101 0.000 0.903 214 S HN 0.024 8.151 8.310 -0.306 0.000 0.542 215 W N -1.946 119.296 121.300 -0.096 0.000 3.098 215 W HA 0.327 nan 4.660 nan 0.000 0.367 215 W C -2.655 173.862 176.519 -0.004 0.000 1.163 215 W CA -1.271 56.016 57.345 -0.096 0.000 1.113 215 W CB 2.620 32.004 29.460 -0.127 0.000 1.501 215 W HN -0.039 7.846 8.180 -0.292 0.120 0.598 216 G N -1.922 107.202 108.800 0.540 0.000 2.556 216 G HA2 -0.023 nan 3.960 nan 0.000 0.294 216 G HA3 -0.023 nan 3.960 nan 0.000 0.294 216 G C -1.254 173.878 174.900 0.387 0.000 1.516 216 G CA -0.329 45.057 45.100 0.477 0.000 0.824 216 G HN -0.325 8.258 8.290 0.487 0.000 0.535 220 c N 2.196 120.837 118.600 0.069 0.000 2.624 220 c HA 0.269 nan 4.570 nan 0.000 0.263 220 c C -1.122 172.997 174.090 0.049 0.000 1.587 220 c CA -1.581 54.786 56.329 0.062 0.000 1.718 220 c CB -1.959 40.588 42.510 0.062 0.000 3.050 220 c HN 0.268 8.825 8.230 0.066 -0.288 0.517 221 R N -1.237 119.255 120.500 -0.014 0.000 2.858 221 R HA 0.034 nan 4.340 nan 0.000 0.252 221 R C -2.036 174.234 176.300 -0.050 0.000 1.063 221 R CA -0.186 55.909 56.100 -0.009 0.000 0.955 221 R CB 2.856 33.165 30.300 0.015 0.000 1.259 221 R HN -0.259 7.992 8.270 -0.033 0.000 0.477 222 D N 3.020 123.400 120.400 -0.033 0.000 2.424 222 D HA -0.024 nan 4.640 nan 0.000 0.244 222 D C 0.423 176.690 176.300 -0.056 0.000 1.134 222 D CA 1.877 55.848 54.000 -0.047 0.000 0.881 222 D CB 0.070 40.863 40.800 -0.011 0.000 1.191 222 D HN 0.162 8.526 8.370 -0.011 0.000 0.445 223 G N 2.502 111.240 108.800 -0.103 0.000 2.284 223 G HA2 -0.415 nan 3.960 nan 0.000 0.247 223 G HA3 -0.415 nan 3.960 nan 0.000 0.247 223 G C -0.304 174.544 174.900 -0.087 0.000 1.012 223 G CA 0.012 45.089 45.100 -0.038 0.000 0.618 223 G HN 0.447 8.642 8.290 -0.158 0.000 0.521 224 K N 1.626 121.916 120.400 -0.183 0.000 2.130 224 K HA 0.241 nan 4.320 nan 0.000 0.268 224 K C -0.983 175.419 176.600 -0.331 0.000 0.983 224 K CA -1.277 54.959 56.287 -0.084 0.000 0.893 224 K CB 0.959 33.474 32.500 0.025 0.000 1.066 224 K HN -0.557 7.491 8.250 -0.191 0.087 0.450 225 Y N -0.000 120.298 120.300 -0.003 0.000 2.567 225 Y HA 0.133 nan 4.550 nan 0.000 0.333 225 Y C 0.153 175.865 175.900 -0.315 0.000 1.106 225 Y CA -0.791 57.199 58.100 -0.183 0.000 1.157 225 Y CB 2.961 41.227 38.460 -0.322 0.000 1.277 225 Y HN -0.453 8.003 8.280 0.294 0.000 0.490 226 G N -0.256 108.450 108.800 -0.157 0.000 2.355 226 G HA2 0.095 nan 3.960 nan 0.000 0.276 226 G HA3 0.095 nan 3.960 nan 0.000 0.276 226 G C -1.957 172.554 174.900 -0.649 0.000 1.198 226 G CA -0.405 44.544 45.100 -0.251 0.000 0.876 226 G HN 0.292 8.585 8.290 0.004 0.000 0.478 227 F N 5.527 125.049 119.950 -0.714 0.000 2.399 227 F HA 0.643 nan 4.527 nan 0.000 0.334 227 F C -0.805 174.346 175.800 -1.082 0.000 1.097 227 F CA -0.288 57.133 58.000 -0.965 0.000 1.076 227 F CB 2.830 40.818 39.000 -1.687 0.000 1.162 227 F HN 0.200 8.297 8.300 -0.339 0.000 0.495 228 Y N 1.600 121.618 120.300 -0.470 0.000 2.457 228 Y HA 0.291 nan 4.550 nan 0.000 0.343 228 Y C -0.841 174.621 175.900 -0.730 0.000 0.994 228 Y CA -1.207 56.491 58.100 -0.670 0.000 1.031 228 Y CB 3.669 41.382 38.460 -1.244 0.000 1.246 228 Y HN 0.897 8.922 8.280 -0.425 0.000 0.449 229 T N 6.718 121.138 114.554 -0.223 0.000 2.799 229 T HA -0.014 nan 4.350 nan 0.000 0.296 229 T C -0.180 174.524 174.700 0.007 0.000 0.947 229 T CA 0.583 62.643 62.100 -0.066 0.000 1.141 229 T CB -0.240 68.657 68.868 0.048 0.000 0.891 229 T HN 0.486 8.668 8.240 -0.097 0.000 0.533 230 H N 8.455 127.595 119.070 0.116 0.000 3.362 230 H HA -0.122 nan 4.556 nan 0.000 0.248 230 H C 1.014 176.510 175.328 0.280 0.000 1.276 230 H CA 0.222 56.517 56.048 0.411 0.000 1.520 230 H CB -0.637 29.354 29.762 0.382 0.000 1.624 230 H HN 0.458 8.784 8.280 0.247 0.102 0.502 231 V N 6.976 127.105 119.914 0.359 0.000 2.324 231 V HA -0.482 nan 4.120 nan 0.000 0.250 231 V C 0.289 176.592 176.094 0.348 0.000 1.060 231 V CA 4.457 66.939 62.300 0.302 0.000 1.042 231 V CB -0.767 31.203 31.823 0.245 0.000 0.650 231 V HN 0.197 8.573 8.190 0.311 0.000 0.450 232 F N -2.286 117.857 119.950 0.321 0.000 2.206 232 F HA -0.187 nan 4.527 nan 0.000 0.298 232 F C 1.852 177.805 175.800 0.255 0.000 1.090 232 F CA 2.116 60.279 58.000 0.272 0.000 1.323 232 F CB 0.435 39.579 39.000 0.240 0.000 1.028 232 F HN -0.646 7.969 8.300 0.562 0.022 0.492 233 R N 0.756 121.459 120.500 0.338 0.000 2.127 233 R HA -0.278 nan 4.340 nan 0.000 0.238 233 R C 1.546 177.819 176.300 -0.045 0.000 1.134 233 R CA 2.311 58.371 56.100 -0.067 0.000 0.975 233 R CB -0.447 29.715 30.300 -0.230 0.000 0.865 233 R HN -0.291 8.494 8.270 1.005 0.089 0.447 234 L N -3.221 118.052 121.223 0.083 0.000 2.728 234 L HA 0.160 nan 4.340 nan 0.000 0.235 234 L C -0.288 176.643 176.870 0.102 0.000 1.197 234 L CA -0.279 54.637 54.840 0.127 0.000 0.992 234 L CB -1.126 41.055 42.059 0.205 0.000 1.263 234 L HN -0.536 7.723 8.230 0.191 0.085 0.484 235 K N 0.807 121.169 120.400 -0.062 0.000 2.209 235 K HA -0.397 nan 4.320 nan 0.000 0.204 235 K C 1.239 177.792 176.600 -0.079 0.000 1.048 235 K CA 3.417 59.654 56.287 -0.084 0.000 0.940 235 K CB -0.228 32.129 32.500 -0.237 0.000 0.729 235 K HN 0.039 8.034 8.250 -0.195 0.138 0.451 236 K N -1.574 118.781 120.400 -0.075 0.000 2.015 236 K HA -0.432 nan 4.320 nan 0.000 0.220 236 K C 2.104 178.699 176.600 -0.009 0.000 1.055 236 K CA 3.398 59.665 56.287 -0.033 0.000 0.951 236 K CB -0.615 31.892 32.500 0.010 0.000 0.725 236 K HN -0.011 8.149 8.250 -0.123 0.017 0.449 237 W N -1.526 119.716 121.300 -0.097 0.000 2.402 237 W HA -0.238 nan 4.660 nan 0.000 0.286 237 W C 1.560 177.972 176.519 -0.177 0.000 1.221 237 W CA 3.368 60.623 57.345 -0.150 0.000 1.257 237 W CB -0.021 29.338 29.460 -0.169 0.000 1.120 237 W HN -0.774 7.556 8.180 0.250 0.000 0.551 238 I N -1.879 118.611 120.570 -0.133 0.000 2.179 238 I HA -0.676 nan 4.170 nan 0.000 0.242 238 I C 1.803 177.594 176.117 -0.542 0.000 1.088 238 I CA 3.663 64.764 61.300 -0.332 0.000 1.357 238 I CB -0.032 37.924 38.000 -0.073 0.000 1.051 238 I HN -0.970 7.129 8.210 0.044 0.137 0.409 239 Q N -2.714 116.867 119.800 -0.365 0.000 2.297 239 Q HA -0.312 nan 4.340 nan 0.000 0.204 239 Q C 2.032 177.784 176.000 -0.413 0.000 0.962 239 Q CA 2.379 57.967 55.803 -0.359 0.000 0.879 239 Q CB -0.615 27.995 28.738 -0.215 0.000 0.947 239 Q HN -0.399 7.724 8.270 -0.245 0.000 0.462 240 K N 1.286 121.410 120.400 -0.461 0.000 2.001 240 K HA -0.388 nan 4.320 nan 0.000 0.214 240 K C 2.409 178.688 176.600 -0.535 0.000 1.050 240 K CA 3.586 59.607 56.287 -0.443 0.000 0.934 240 K CB 0.021 32.247 32.500 -0.456 0.000 0.718 240 K HN -0.538 7.337 8.250 -0.444 0.108 0.443 241 V N -6.885 112.526 119.914 -0.839 0.000 2.453 241 V HA -0.209 nan 4.120 nan 0.000 0.247 241 V C 1.779 177.392 176.094 -0.802 0.000 1.048 241 V CA 2.806 64.552 62.300 -0.923 0.000 1.049 241 V CB -0.745 30.250 31.823 -1.380 0.000 0.672 241 V HN -0.645 6.920 8.190 -1.041 0.000 0.457 242 I N -0.604 119.454 120.570 -0.853 0.000 2.315 242 I HA -0.351 nan 4.170 nan 0.000 0.248 242 I C 2.039 177.977 176.117 -0.299 0.000 1.117 242 I CA 3.772 64.628 61.300 -0.740 0.000 1.404 242 I CB 0.203 37.683 38.000 -0.868 0.000 1.071 242 I HN -0.617 7.002 8.210 -0.860 0.075 0.419 243 D N -1.111 119.127 120.400 -0.269 0.000 2.339 243 D HA -0.015 nan 4.640 nan 0.000 0.217 243 D C 0.485 176.713 176.300 -0.119 0.000 1.050 243 D CA 1.257 55.170 54.000 -0.145 0.000 0.856 243 D CB 0.421 41.142 40.800 -0.131 0.000 0.922 243 D HN -0.043 8.123 8.370 -0.339 0.000 0.518 244 R N -4.857 115.541 120.500 -0.170 0.000 3.569 244 R HA -0.393 nan 4.340 nan 0.000 0.372 244 R C -1.912 174.311 176.300 -0.129 0.000 0.548 244 R CA 1.953 57.974 56.100 -0.131 0.000 1.528 244 R CB -1.169 29.101 30.300 -0.051 0.000 1.868 244 R HN -0.120 7.822 8.270 -0.262 0.171 0.376 245 L N -3.998 117.151 121.223 -0.122 0.000 2.869 245 L HA 0.162 nan 4.340 nan 0.000 0.265 245 L C -1.393 175.420 176.870 -0.095 0.000 1.011 245 L CA 0.000 54.783 54.840 -0.096 0.000 0.913 245 L CB 2.859 44.884 42.059 -0.056 0.000 1.490 245 L HN -0.733 7.298 8.230 -0.127 0.123 0.410 246 G N 0.462 109.214 108.800 -0.080 0.000 2.507 246 G HA2 -0.129 nan 3.960 nan 0.000 0.225 246 G HA3 -0.129 nan 3.960 nan 0.000 0.225 246 G C -2.039 172.824 174.900 -0.062 0.000 1.078 246 G CA 0.019 45.079 45.100 -0.065 0.000 0.939 246 G HN 0.412 8.656 8.290 -0.077 0.000 0.538 247 S N 0.000 115.667 115.700 -0.055 0.000 2.498 247 S HA 0.000 nan 4.470 nan 0.000 0.327 247 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 247 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 247 S HN 0.000 8.274 8.310 -0.061 0.000 0.517