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 1dwb_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETWKGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.137 176.117 0.034 0.000 1.063 16 I CA 0.000 61.321 61.300 0.036 0.000 1.566 16 I CB 0.000 38.002 38.000 0.003 0.000 1.214 17 V N 5.698 125.645 119.914 0.055 0.000 2.439 17 V HA 0.422 4.541 4.120 -0.002 0.000 0.282 17 V C 0.788 176.913 176.094 0.051 0.000 1.039 17 V CA -0.298 62.033 62.300 0.052 0.000 0.913 17 V CB 1.149 33.013 31.823 0.067 0.000 0.983 17 V HN 0.867 nan 8.190 nan 0.000 0.460 18 E N 1.623 121.842 120.200 0.032 0.000 2.637 18 E HA -0.183 4.166 4.350 -0.002 0.000 0.265 18 E C 0.674 177.292 176.600 0.029 0.000 1.073 18 E CA 0.961 57.378 56.400 0.028 0.000 0.778 18 E CB -1.319 28.404 29.700 0.037 0.000 1.362 18 E HN 0.993 nan 8.360 nan 0.000 0.413 19 G N -0.547 108.263 108.800 0.017 0.000 2.714 19 G HA2 0.621 4.580 3.960 -0.002 0.000 0.197 19 G HA3 0.621 4.580 3.960 -0.002 0.000 0.197 19 G C -0.121 174.776 174.900 -0.006 0.000 1.449 19 G CA 0.351 45.457 45.100 0.008 0.000 1.065 19 G HN 0.152 nan 8.290 nan 0.000 0.575 20 S N -0.923 114.765 115.700 -0.021 0.000 2.596 20 S HA 0.406 4.875 4.470 -0.002 0.000 0.270 20 S C -1.942 172.634 174.600 -0.040 0.000 1.155 20 S CA -0.731 57.456 58.200 -0.023 0.000 0.827 20 S CB 1.891 65.083 63.200 -0.012 0.000 1.130 20 S HN 0.496 nan 8.310 nan 0.000 0.467 21 D N 1.829 122.212 120.400 -0.029 0.000 2.389 21 D HA 0.510 5.149 4.640 -0.002 0.000 0.247 21 D C 0.237 176.525 176.300 -0.020 0.000 1.128 21 D CA 0.052 54.032 54.000 -0.035 0.000 0.884 21 D CB 0.858 41.660 40.800 0.002 0.000 1.194 21 D HN 0.651 nan 8.370 nan 0.000 0.441 22 A N 2.614 125.410 122.820 -0.040 0.000 2.332 22 A HA 0.230 4.549 4.320 -0.002 0.000 0.258 22 A C 0.506 178.156 177.584 0.109 0.000 1.087 22 A CA -0.444 51.585 52.037 -0.012 0.000 0.802 22 A CB 0.374 19.326 19.000 -0.081 0.000 1.042 22 A HN 0.533 nan 8.150 nan 0.000 0.489 23 E N 0.074 120.297 120.200 0.038 0.000 2.371 23 E HA 0.306 4.655 4.350 -0.002 0.000 0.257 23 E C -0.570 176.018 176.600 -0.020 0.000 1.134 23 E CA -0.302 56.106 56.400 0.014 0.000 0.919 23 E CB 0.756 30.439 29.700 -0.027 0.000 1.025 23 E HN 0.543 nan 8.360 nan 0.000 0.438 24 I N 1.261 121.745 120.570 -0.144 0.000 2.648 24 I HA 0.014 4.183 4.170 -0.002 0.000 0.284 24 I C 1.308 177.391 176.117 -0.057 0.000 1.153 24 I CA 0.816 61.992 61.300 -0.206 0.000 1.426 24 I CB 0.280 38.137 38.000 -0.238 0.000 1.381 24 I HN 0.876 nan 8.210 nan 0.000 0.571 25 G N 4.991 113.791 108.800 0.001 0.000 2.153 25 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.252 25 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.252 25 G C 0.828 175.601 174.900 -0.212 0.000 0.994 25 G CA 0.533 45.599 45.100 -0.056 0.000 0.698 25 G HN 0.683 nan 8.290 nan 0.000 0.521 26 M N -0.345 119.119 119.600 -0.226 0.000 2.254 26 M HA 0.123 4.602 4.480 -0.002 0.000 0.265 26 M C 0.857 176.775 176.300 -0.636 0.000 1.066 26 M CA 1.611 56.714 55.300 -0.328 0.000 1.123 26 M CB 0.263 32.728 32.600 -0.224 0.000 1.388 26 M HN 0.164 nan 8.290 nan 0.000 0.425 27 S N 0.354 115.632 115.700 -0.703 0.000 2.204 27 S HA 0.284 4.753 4.470 -0.002 0.000 0.147 27 S C -2.084 171.908 174.600 -1.014 0.000 1.711 27 S CA -1.016 56.457 58.200 -1.211 0.000 1.274 27 S CB 0.946 63.658 63.200 -0.813 0.000 1.257 27 S HN 0.182 nan 8.310 nan 0.000 0.404 28 P HA -0.008 nan 4.420 nan 0.000 0.234 28 P C 0.605 177.796 177.300 -0.181 0.000 1.167 28 P CA 0.566 63.434 63.100 -0.387 0.000 0.763 28 P CB -0.241 31.336 31.700 -0.206 0.000 0.835 29 W N -1.222 120.070 121.300 -0.012 0.000 3.278 29 W HA 0.429 5.088 4.660 -0.002 0.000 0.308 29 W C 0.418 176.963 176.519 0.044 0.000 1.253 29 W CA -0.612 56.735 57.345 0.005 0.000 1.759 29 W CB -1.286 28.157 29.460 -0.027 0.000 1.093 29 W HN -0.163 nan 8.180 nan 0.000 0.648 30 Q N 2.184 121.988 119.800 0.008 0.000 2.296 30 Q HA 0.371 4.710 4.340 -0.002 0.000 0.262 30 Q C -0.818 175.316 176.000 0.222 0.000 0.981 30 Q CA 0.005 55.868 55.803 0.099 0.000 0.905 30 Q CB 1.087 29.771 28.738 -0.089 0.000 1.186 30 Q HN 0.105 nan 8.270 nan 0.000 0.399 31 V N 5.455 125.535 119.914 0.277 0.000 2.715 31 V HA 0.475 4.594 4.120 -0.002 0.000 0.310 31 V C -0.292 176.020 176.094 0.364 0.000 1.054 31 V CA -0.868 61.603 62.300 0.285 0.000 0.928 31 V CB 1.906 33.864 31.823 0.225 0.000 1.007 31 V HN 0.915 nan 8.190 nan 0.000 0.437 32 M N 4.501 124.265 119.600 0.274 0.000 2.294 32 M HA 0.561 5.040 4.480 -0.002 0.000 0.335 32 M C -1.561 174.835 176.300 0.161 0.000 1.079 32 M CA -0.652 54.771 55.300 0.205 0.000 0.982 32 M CB 1.378 33.892 32.600 -0.144 0.000 1.651 32 M HN 0.534 nan 8.290 nan 0.000 0.437 33 L N 5.522 126.849 121.223 0.174 0.000 2.259 33 L HA 0.381 4.720 4.340 -0.002 0.000 0.288 33 L C -1.228 175.744 176.870 0.169 0.000 1.051 33 L CA -0.328 54.601 54.840 0.148 0.000 0.824 33 L CB 0.561 42.686 42.059 0.110 0.000 1.206 33 L HN 0.619 nan 8.230 nan 0.000 0.429 34 F N 4.452 124.393 119.950 -0.015 0.000 2.421 34 F HA 0.476 5.002 4.527 -0.001 0.000 0.337 34 F C 0.605 176.389 175.800 -0.026 0.000 1.105 34 F CA -0.328 57.651 58.000 -0.035 0.000 1.049 34 F CB 1.102 40.066 39.000 -0.060 0.000 1.139 34 F HN 0.408 nan 8.300 nan 0.000 0.479 35 R N 1.697 121.888 120.500 -0.516 0.000 2.601 35 R HA 0.391 4.730 4.340 -0.002 0.000 0.220 35 R C -0.430 175.640 176.300 -0.383 0.000 1.329 35 R CA -0.606 55.286 56.100 -0.348 0.000 1.043 35 R CB 1.006 31.119 30.300 -0.313 0.000 1.807 35 R HN 0.613 nan 8.270 nan 0.000 0.537 36 S N 1.661 117.307 115.700 -0.091 0.000 2.443 36 S HA 0.210 4.679 4.470 -0.002 0.000 0.284 36 S C -2.013 172.539 174.600 -0.080 0.000 1.206 36 S CA -1.431 56.724 58.200 -0.076 0.000 1.074 36 S CB 0.298 63.472 63.200 -0.044 0.000 0.963 36 S HN 0.333 nan 8.310 nan 0.000 0.501 37 P HA 0.209 nan 4.420 nan 0.000 0.274 37 P C -0.820 176.371 177.300 -0.182 0.000 1.231 37 P CA -0.460 62.580 63.100 -0.100 0.000 0.790 37 P CB 0.347 31.999 31.700 -0.081 0.000 0.951 38 Q N 1.495 121.188 119.800 -0.179 0.000 2.262 38 Q HA 0.188 4.527 4.340 -0.002 0.000 0.272 38 Q C 0.229 175.977 176.000 -0.419 0.000 1.076 38 Q CA 0.512 56.104 55.803 -0.352 0.000 0.905 38 Q CB 0.226 28.936 28.738 -0.045 0.000 1.182 38 Q HN 0.513 nan 8.270 nan 0.000 0.390 39 E N 1.784 121.536 120.200 -0.746 0.000 2.396 39 E HA 0.294 4.643 4.350 -0.002 0.000 0.280 39 E C -1.571 174.756 176.600 -0.455 0.000 1.065 39 E CA -0.915 55.229 56.400 -0.427 0.000 0.831 39 E CB 0.637 30.213 29.700 -0.206 0.000 1.272 39 E HN 0.420 nan 8.360 nan 0.000 0.443 40 L N 3.337 124.472 121.223 -0.148 0.000 2.325 40 L HA 0.249 4.588 4.340 -0.002 0.000 0.284 40 L C 0.101 176.970 176.870 -0.002 0.000 1.089 40 L CA -0.322 54.510 54.840 -0.014 0.000 0.836 40 L CB 0.200 42.302 42.059 0.073 0.000 1.184 40 L HN 0.715 nan 8.230 nan 0.000 0.444 41 L N 4.490 125.713 121.223 0.000 0.000 2.084 41 L HA 0.135 4.474 4.340 -0.002 0.000 0.202 41 L C 0.496 177.408 176.870 0.069 0.000 1.074 41 L CA 0.395 55.245 54.840 0.018 0.000 0.757 41 L CB 0.030 42.086 42.059 -0.005 0.000 0.918 41 L HN 0.626 nan 8.230 nan 0.000 0.444 42 c N -2.326 116.336 118.600 0.102 0.000 3.249 42 c HA 0.552 5.121 4.570 -0.002 0.000 0.350 42 c C 0.320 174.524 174.090 0.190 0.000 1.431 42 c CA -1.018 55.388 56.329 0.130 0.000 1.209 42 c CB 0.861 43.411 42.510 0.065 0.000 1.546 42 c HN 0.448 nan 8.230 nan 0.000 0.450 43 G N 0.028 108.946 108.800 0.197 0.000 2.522 43 G HA2 0.872 4.831 3.960 -0.002 0.000 0.304 43 G HA3 0.872 4.831 3.960 -0.002 0.000 0.304 43 G C -0.678 174.336 174.900 0.191 0.000 1.210 43 G CA 0.428 45.670 45.100 0.238 0.000 0.960 43 G HN 1.818 nan 8.290 nan 0.000 0.497 44 A N -0.905 122.041 122.820 0.210 0.000 2.522 44 A HA 0.744 5.063 4.320 -0.002 0.000 0.291 44 A C -0.373 177.344 177.584 0.221 0.000 1.039 44 A CA 0.139 52.292 52.037 0.194 0.000 0.643 44 A CB 0.762 19.869 19.000 0.178 0.000 1.310 44 A HN 2.093 nan 8.150 nan 0.000 0.436 45 S N -0.377 115.455 115.700 0.220 0.000 2.568 45 S HA 0.742 5.211 4.470 -0.002 0.000 0.293 45 S C -1.043 173.696 174.600 0.231 0.000 1.089 45 S CA -0.624 57.725 58.200 0.248 0.000 0.945 45 S CB 1.558 64.904 63.200 0.244 0.000 1.077 45 S HN 1.852 nan 8.310 nan 0.000 0.485 46 L N 3.035 124.411 121.223 0.255 0.000 2.268 46 L HA 0.506 4.845 4.340 -0.002 0.000 0.289 46 L C 0.523 177.498 176.870 0.174 0.000 1.064 46 L CA -0.491 54.487 54.840 0.231 0.000 0.824 46 L CB 0.293 42.500 42.059 0.246 0.000 1.202 46 L HN 0.841 nan 8.230 nan 0.000 0.433 47 I N 1.467 122.139 120.570 0.169 0.000 3.956 47 I HA 0.399 4.568 4.170 -0.002 0.000 0.333 47 I C 0.159 176.352 176.117 0.126 0.000 1.302 47 I CA 0.269 61.630 61.300 0.102 0.000 1.122 47 I CB -0.182 37.868 38.000 0.085 0.000 1.013 47 I HN 0.617 nan 8.210 nan 0.000 0.405 48 S N -0.877 114.957 115.700 0.223 0.000 2.688 48 S HA 0.050 4.519 4.470 -0.002 0.000 0.269 48 S C 0.097 174.913 174.600 0.361 0.000 1.060 48 S CA -0.143 58.240 58.200 0.305 0.000 0.844 48 S CB 0.734 64.085 63.200 0.252 0.000 1.095 48 S HN 0.304 nan 8.310 nan 0.000 0.466 49 D N 0.445 121.054 120.400 0.347 0.000 2.311 49 D HA -0.192 4.447 4.640 -0.002 0.000 0.204 49 D C 1.342 177.648 176.300 0.010 0.000 1.000 49 D CA 2.139 56.154 54.000 0.024 0.000 0.910 49 D CB 0.058 40.807 40.800 -0.084 0.000 0.900 49 D HN 0.535 nan 8.370 nan 0.000 0.463 50 R N -2.591 117.948 120.500 0.067 0.000 2.504 50 R HA 0.179 4.518 4.340 -0.002 0.000 0.341 50 R C -0.935 175.252 176.300 -0.189 0.000 0.905 50 R CA -0.376 55.666 56.100 -0.096 0.000 1.133 50 R CB 0.495 30.660 30.300 -0.225 0.000 1.704 50 R HN 0.075 nan 8.270 nan 0.000 0.503 51 W N 0.750 122.084 121.300 0.058 0.000 2.736 51 W HA 0.557 5.216 4.660 -0.002 0.000 0.335 51 W C -0.464 176.107 176.519 0.086 0.000 1.059 51 W CA -0.708 56.672 57.345 0.058 0.000 1.226 51 W CB 1.712 31.182 29.460 0.017 0.000 1.416 51 W HN -0.354 nan 8.180 nan 0.000 0.505 52 V N 4.494 124.623 119.914 0.358 0.000 2.540 52 V HA 0.439 4.558 4.120 -0.002 0.000 0.302 52 V C -0.937 175.326 176.094 0.282 0.000 1.035 52 V CA -1.082 61.380 62.300 0.269 0.000 0.873 52 V CB 1.530 33.473 31.823 0.200 0.000 0.992 52 V HN 0.365 nan 8.190 nan 0.000 0.428 53 L N 4.682 126.047 121.223 0.238 0.000 2.296 53 L HA 0.864 5.203 4.340 -0.002 0.000 0.286 53 L C -0.101 176.887 176.870 0.197 0.000 1.023 53 L CA 0.932 55.908 54.840 0.226 0.000 0.812 53 L CB 1.709 43.886 42.059 0.197 0.000 1.223 53 L HN 0.817 nan 8.230 nan 0.000 0.421 54 T N 3.145 117.809 114.554 0.183 0.000 2.716 54 T HA 0.854 5.203 4.350 -0.002 0.000 0.286 54 T C -1.078 173.670 174.700 0.080 0.000 1.052 54 T CA -0.088 62.088 62.100 0.127 0.000 1.024 54 T CB 1.312 70.241 68.868 0.101 0.000 1.349 54 T HN 0.889 nan 8.240 nan 0.000 0.525 55 A N 0.517 123.335 122.820 -0.003 0.000 2.310 55 A HA 0.735 5.054 4.320 -0.002 0.000 0.299 55 A C 1.408 178.880 177.584 -0.187 0.000 1.147 55 A CA 0.199 52.188 52.037 -0.080 0.000 0.818 55 A CB 0.369 19.292 19.000 -0.128 0.000 1.096 55 A HN 1.123 nan 8.150 nan 0.000 0.495 56 A N 1.253 123.913 122.820 -0.266 0.000 1.877 56 A HA -0.156 4.163 4.320 -0.002 0.000 0.216 56 A C 1.807 179.178 177.584 -0.355 0.000 1.186 56 A CA 1.741 53.517 52.037 -0.435 0.000 0.620 56 A CB -1.173 17.247 19.000 -0.966 0.000 0.822 56 A HN 1.168 nan 8.150 nan 0.000 0.443 57 H N -1.232 117.709 119.070 -0.214 0.000 2.554 57 H HA -0.130 4.425 4.556 -0.002 0.000 0.290 57 H C 1.505 176.864 175.328 0.052 0.000 1.058 57 H CA 1.369 57.459 56.048 0.070 0.000 1.224 57 H CB -0.683 29.198 29.762 0.197 0.000 1.359 57 H HN 0.429 nan 8.280 nan 0.000 0.589 58 c N 0.857 119.225 118.600 -0.387 0.000 2.533 58 c HA 0.285 4.854 4.570 -0.002 0.000 0.272 58 c C 1.458 175.508 174.090 -0.067 0.000 1.371 58 c CA -0.348 55.853 56.329 -0.213 0.000 1.758 58 c CB -0.441 41.955 42.510 -0.190 0.000 1.972 58 c HN 0.349 nan 8.230 nan 0.000 0.522 59 L N 0.237 121.427 121.223 -0.055 0.000 2.331 59 L HA 0.496 4.835 4.340 -0.002 0.000 0.268 59 L C 0.569 177.438 176.870 -0.002 0.000 1.015 59 L CA -0.100 54.730 54.840 -0.017 0.000 0.807 59 L CB 1.093 43.149 42.059 -0.005 0.000 1.293 59 L HN 0.089 nan 8.230 nan 0.000 0.451 60 T N -3.571 110.970 114.554 -0.022 0.000 2.952 60 T HA 0.260 4.609 4.350 -0.002 0.000 0.286 60 T C 0.691 175.376 174.700 -0.024 0.000 1.024 60 T CA -0.613 61.472 62.100 -0.024 0.000 1.029 60 T CB 1.579 70.431 68.868 -0.026 0.000 1.094 60 T HN 0.582 nan 8.240 nan 0.000 0.515 61 E N 0.814 120.995 120.200 -0.031 0.000 2.253 61 E HA -0.175 4.174 4.350 -0.002 0.000 0.202 61 E C 1.688 178.274 176.600 -0.023 0.000 1.014 61 E CA 1.762 58.143 56.400 -0.031 0.000 0.823 61 E CB -0.186 29.485 29.700 -0.048 0.000 0.736 61 E HN 0.606 nan 8.360 nan 0.000 0.478 62 N N 0.371 119.057 118.700 -0.023 0.000 2.373 62 N HA -0.046 4.693 4.740 -0.002 0.000 0.181 62 N C 0.290 175.790 175.510 -0.016 0.000 1.082 62 N CA 0.564 53.603 53.050 -0.019 0.000 0.885 62 N CB 0.314 38.789 38.487 -0.020 0.000 0.977 62 N HN 0.185 nan 8.380 nan 0.000 0.462 63 D N 0.794 121.182 120.400 -0.019 0.000 2.323 63 D HA 0.081 4.720 4.640 -0.002 0.000 0.209 63 D C 0.595 176.883 176.300 -0.020 0.000 0.973 63 D CA 0.446 54.432 54.000 -0.024 0.000 0.874 63 D CB 0.472 41.254 40.800 -0.030 0.000 0.930 63 D HN 0.195 nan 8.370 nan 0.000 0.521 64 L N -0.404 120.816 121.223 -0.004 0.000 2.286 64 L HA 0.541 4.880 4.340 -0.002 0.000 0.265 64 L C -0.289 176.607 176.870 0.045 0.000 1.012 64 L CA -0.856 53.994 54.840 0.017 0.000 0.818 64 L CB 1.649 43.721 42.059 0.022 0.000 1.337 64 L HN -0.293 nan 8.230 nan 0.000 0.438 65 L N 0.212 121.489 121.223 0.090 0.000 2.393 65 L HA 0.722 5.061 4.340 -0.002 0.000 0.260 65 L C -1.277 175.662 176.870 0.114 0.000 1.002 65 L CA -0.919 53.983 54.840 0.104 0.000 0.818 65 L CB 2.597 44.748 42.059 0.153 0.000 1.369 65 L HN 0.193 nan 8.230 nan 0.000 0.412 66 V N 2.147 122.107 119.914 0.078 0.000 2.444 66 V HA 0.491 4.610 4.120 -0.002 0.000 0.294 66 V C -0.647 175.480 176.094 0.054 0.000 1.022 66 V CA -0.502 61.847 62.300 0.081 0.000 0.850 66 V CB 1.930 33.799 31.823 0.077 0.000 0.992 66 V HN 0.650 nan 8.190 nan 0.000 0.426 67 R N 5.983 126.510 120.500 0.046 0.000 2.360 67 R HA 0.681 5.021 4.340 -0.002 0.000 0.318 67 R C -1.155 175.179 176.300 0.056 0.000 0.950 67 R CA -0.454 55.648 56.100 0.002 0.000 0.837 67 R CB 1.775 32.008 30.300 -0.111 0.000 1.165 67 R HN 0.566 nan 8.270 nan 0.000 0.458 68 I N 0.979 121.598 120.570 0.081 0.000 2.441 68 I HA 0.455 4.624 4.170 -0.002 0.000 0.295 68 I C 1.003 177.191 176.117 0.118 0.000 0.994 68 I CA -0.368 61.008 61.300 0.127 0.000 1.144 68 I CB 2.032 40.118 38.000 0.143 0.000 1.314 68 I HN 0.894 nan 8.210 nan 0.000 0.445 69 G N 3.577 112.463 108.800 0.143 0.000 2.131 69 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.223 69 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.223 69 G C 0.010 174.966 174.900 0.093 0.000 0.990 69 G CA -0.533 44.645 45.100 0.130 0.000 0.671 69 G HN 0.566 nan 8.290 nan 0.000 0.521 70 K N -1.187 119.304 120.400 0.152 0.000 2.098 70 K HA 0.618 4.937 4.320 -0.002 0.000 0.261 70 K C 0.737 177.552 176.600 0.358 0.000 0.987 70 K CA -0.504 55.879 56.287 0.159 0.000 0.916 70 K CB 1.287 33.788 32.500 0.001 0.000 1.039 70 K HN 0.287 nan 8.250 nan 0.000 0.455 71 H N -0.344 118.828 119.070 0.170 0.000 2.179 71 H HA 0.138 4.694 4.556 -0.001 0.000 0.246 71 H C 0.151 175.653 175.328 0.289 0.000 0.904 71 H CA 0.341 56.506 56.048 0.196 0.000 1.113 71 H CB 0.468 30.252 29.762 0.037 0.000 1.396 71 H HN 0.462 nan 8.280 nan 0.000 0.484 72 S N 0.476 116.251 115.700 0.126 0.000 2.565 72 S HA 0.130 4.599 4.470 -0.002 0.000 0.276 72 S C 1.407 175.952 174.600 -0.092 0.000 1.326 72 S CA -0.374 57.842 58.200 0.026 0.000 1.045 72 S CB 0.966 64.175 63.200 0.014 0.000 0.918 72 S HN 0.536 nan 8.310 nan 0.000 0.505 73 R N 1.610 122.043 120.500 -0.111 0.000 2.062 73 R HA -0.055 4.284 4.340 -0.002 0.000 0.229 73 R C 1.943 178.078 176.300 -0.275 0.000 1.128 73 R CA 2.053 57.933 56.100 -0.366 0.000 0.960 73 R CB -0.698 29.532 30.300 -0.116 0.000 0.855 73 R HN 0.850 nan 8.270 nan 0.000 0.432 74 T N -2.051 112.429 114.554 -0.124 0.000 3.037 74 T HA 0.214 4.563 4.350 -0.002 0.000 0.252 74 T C 0.931 175.592 174.700 -0.065 0.000 1.073 74 T CA -0.315 61.741 62.100 -0.073 0.000 1.091 74 T CB 0.081 68.936 68.868 -0.021 0.000 0.935 74 T HN 0.085 nan 8.240 nan 0.000 0.488 75 R N 0.539 121.002 120.500 -0.062 0.000 2.774 75 R HA 0.405 4.744 4.340 -0.002 0.000 0.269 75 R C -0.283 176.012 176.300 -0.008 0.000 1.068 75 R CA -0.485 55.596 56.100 -0.032 0.000 1.180 75 R CB 0.251 30.528 30.300 -0.039 0.000 1.077 75 R HN 0.349 nan 8.270 nan 0.000 0.513 76 Y N -0.005 120.220 120.300 -0.126 0.000 2.732 76 Y HA 0.330 4.879 4.550 -0.001 0.000 0.327 76 Y C 0.252 176.084 175.900 -0.114 0.000 1.162 76 Y CA -0.933 57.079 58.100 -0.146 0.000 1.238 76 Y CB 0.858 39.239 38.460 -0.131 0.000 1.443 76 Y HN 0.518 nan 8.280 nan 0.000 0.584 77 R N -1.337 118.655 120.500 -0.847 0.000 3.359 77 R HA 0.156 4.495 4.340 -0.002 0.000 0.098 77 R C 1.245 177.335 176.300 -0.349 0.000 0.779 77 R CA 0.981 56.619 56.100 -0.770 0.000 1.967 77 R CB -1.576 28.383 30.300 -0.569 0.000 1.617 77 R HN 0.571 nan 8.270 nan 0.000 0.469 78 N N 1.623 120.167 118.700 -0.261 0.000 2.409 78 N HA 0.246 4.985 4.740 -0.002 0.000 0.179 78 N C 1.713 177.144 175.510 -0.132 0.000 1.032 78 N CA 1.470 54.427 53.050 -0.156 0.000 0.898 78 N CB 0.005 38.417 38.487 -0.125 0.000 0.971 78 N HN 0.261 nan 8.380 nan 0.000 0.441 79 I N -0.099 120.353 120.570 -0.197 0.000 3.194 79 I HA 0.061 4.230 4.170 -0.002 0.000 0.271 79 I C 1.014 177.074 176.117 -0.094 0.000 1.150 79 I CA 0.013 61.195 61.300 -0.197 0.000 1.440 79 I CB 0.148 37.875 38.000 -0.455 0.000 1.276 79 I HN 0.493 nan 8.210 nan 0.000 0.457 80 E N 2.838 122.976 120.200 -0.104 0.000 2.371 80 E HA 0.413 4.762 4.350 -0.002 0.000 0.257 80 E C -0.323 176.294 176.600 0.028 0.000 1.134 80 E CA -0.457 55.932 56.400 -0.019 0.000 0.919 80 E CB 0.684 30.370 29.700 -0.023 0.000 1.025 80 E HN 0.062 nan 8.360 nan 0.000 0.438 81 K N 2.712 123.145 120.400 0.055 0.000 2.507 81 K HA 0.408 4.727 4.320 -0.002 0.000 0.252 81 K C -0.748 175.881 176.600 0.049 0.000 0.943 81 K CA -0.625 55.699 56.287 0.062 0.000 0.808 81 K CB 0.892 33.435 32.500 0.070 0.000 1.142 81 K HN 0.547 nan 8.250 nan 0.000 0.426 82 I N 2.919 123.512 120.570 0.038 0.000 2.297 82 I HA 0.269 4.438 4.170 -0.002 0.000 0.291 82 I C -0.068 176.052 176.117 0.006 0.000 1.033 82 I CA -0.658 60.645 61.300 0.005 0.000 1.253 82 I CB 1.497 39.477 38.000 -0.033 0.000 1.396 82 I HN 0.614 nan 8.210 nan 0.000 0.476 83 S N 7.125 122.833 115.700 0.013 0.000 2.578 83 S HA 0.645 5.114 4.470 -0.002 0.000 0.301 83 S C -0.219 174.384 174.600 0.005 0.000 1.091 83 S CA -0.840 57.364 58.200 0.007 0.000 1.032 83 S CB 1.992 65.199 63.200 0.012 0.000 1.064 83 S HN 0.453 nan 8.310 nan 0.000 0.508 84 M N 2.309 121.904 119.600 -0.008 0.000 2.423 84 M HA 0.439 4.918 4.480 -0.002 0.000 0.335 84 M C -0.840 175.446 176.300 -0.024 0.000 1.177 84 M CA -0.562 54.731 55.300 -0.011 0.000 1.038 84 M CB 0.787 33.377 32.600 -0.017 0.000 1.641 84 M HN 0.370 nan 8.290 nan 0.000 0.455 85 L N 1.550 122.760 121.223 -0.021 0.000 2.349 85 L HA 0.176 4.515 4.340 -0.002 0.000 0.275 85 L C 1.219 178.055 176.870 -0.057 0.000 1.115 85 L CA 0.099 54.916 54.840 -0.038 0.000 0.820 85 L CB 0.678 42.723 42.059 -0.023 0.000 1.135 85 L HN 0.868 nan 8.230 nan 0.000 0.445 86 E N 1.947 122.096 120.200 -0.084 0.000 2.251 86 E HA 0.021 4.370 4.350 -0.002 0.000 0.194 86 E C -0.035 176.507 176.600 -0.097 0.000 0.964 86 E CA 0.324 56.671 56.400 -0.088 0.000 0.868 86 E CB 0.741 30.376 29.700 -0.108 0.000 0.828 86 E HN 0.479 nan 8.360 nan 0.000 0.481 87 K N 0.170 120.500 120.400 -0.117 0.000 2.589 87 K HA 0.367 4.686 4.320 -0.002 0.000 0.265 87 K C -2.023 174.456 176.600 -0.202 0.000 0.935 87 K CA -0.324 55.850 56.287 -0.188 0.000 0.850 87 K CB 1.214 33.587 32.500 -0.211 0.000 1.372 87 K HN 0.013 nan 8.250 nan 0.000 0.420 88 I N 4.150 124.553 120.570 -0.280 0.000 2.474 88 I HA 0.433 4.602 4.170 -0.002 0.000 0.294 88 I C -1.010 174.947 176.117 -0.267 0.000 1.005 88 I CA -1.031 60.194 61.300 -0.126 0.000 1.113 88 I CB 1.375 39.355 38.000 -0.032 0.000 1.289 88 I HN 0.552 nan 8.210 nan 0.000 0.436 89 Y N 6.055 126.493 120.300 0.229 0.000 2.326 89 Y HA 0.535 5.084 4.550 -0.001 0.000 0.329 89 Y C -0.081 176.070 175.900 0.420 0.000 0.973 89 Y CA -0.623 57.661 58.100 0.307 0.000 1.162 89 Y CB 1.327 39.968 38.460 0.303 0.000 1.147 89 Y HN 0.280 nan 8.280 nan 0.000 0.456 90 I N 3.272 124.116 120.570 0.456 0.000 2.437 90 I HA 0.166 4.335 4.170 -0.002 0.000 0.298 90 I C 0.290 176.556 176.117 0.248 0.000 0.984 90 I CA -0.983 60.503 61.300 0.310 0.000 1.214 90 I CB 1.117 39.236 38.000 0.198 0.000 1.365 90 I HN 0.634 nan 8.210 nan 0.000 0.469 91 H N 8.332 127.239 119.070 -0.271 0.000 3.107 91 H HA 0.028 4.583 4.556 -0.002 0.000 0.301 91 H C -1.682 173.571 175.328 -0.125 0.000 0.981 91 H CA -1.006 54.651 56.048 -0.651 0.000 1.443 91 H CB 1.296 30.472 29.762 -0.976 0.000 1.479 91 H HN 0.331 nan 8.280 nan 0.000 0.564 92 P HA -0.152 nan 4.420 nan 0.000 0.218 92 P C 0.954 178.349 177.300 0.158 0.000 1.146 92 P CA 1.753 64.857 63.100 0.006 0.000 0.813 92 P CB 0.067 31.739 31.700 -0.048 0.000 0.778 93 R N -1.090 119.649 120.500 0.398 0.000 2.609 93 R HA 0.115 4.454 4.340 -0.002 0.000 0.326 93 R C 0.173 176.598 176.300 0.208 0.000 1.090 93 R CA -0.657 55.606 56.100 0.271 0.000 1.072 93 R CB -1.980 28.438 30.300 0.197 0.000 1.330 93 R HN 0.185 nan 8.270 nan 0.000 0.572 94 Y N 1.879 122.254 120.300 0.125 0.000 2.677 94 Y HA 0.216 4.765 4.550 -0.002 0.000 0.335 94 Y C -0.077 175.866 175.900 0.071 0.000 1.162 94 Y CA -1.034 57.112 58.100 0.076 0.000 1.483 94 Y CB 0.511 39.059 38.460 0.146 0.000 1.209 94 Y HN 0.321 nan 8.280 nan 0.000 0.528 95 N N 8.498 127.130 118.700 -0.114 0.000 2.949 95 N HA 0.042 4.782 4.740 -0.002 0.000 0.243 95 N C -0.338 174.881 175.510 -0.484 0.000 1.113 95 N CA -0.743 52.079 53.050 -0.381 0.000 0.980 95 N CB -0.272 38.080 38.487 -0.225 0.000 1.256 95 N HN 0.748 nan 8.380 nan 0.000 0.508 96 W N 4.216 125.075 121.300 -0.735 0.000 2.423 96 W HA 0.168 4.828 4.660 -0.001 0.000 0.447 96 W C 0.637 176.988 176.519 -0.280 0.000 0.711 96 W CA -0.443 56.588 57.345 -0.524 0.000 2.283 96 W CB -1.076 28.019 29.460 -0.607 0.000 0.914 96 W HN 0.528 nan 8.180 nan 0.000 0.641 97 E N 2.080 122.076 120.200 -0.339 0.000 2.164 97 E HA -0.356 3.993 4.350 -0.002 0.000 0.206 97 E C 0.935 177.363 176.600 -0.287 0.000 1.032 97 E CA 2.341 58.580 56.400 -0.268 0.000 0.832 97 E CB -0.517 29.045 29.700 -0.231 0.000 0.742 97 E HN 0.400 nan 8.360 nan 0.000 0.460 98 N N -0.479 118.052 118.700 -0.282 0.000 2.036 98 N HA 0.099 4.838 4.740 -0.002 0.000 0.228 98 N C 0.084 175.413 175.510 -0.302 0.000 1.368 98 N CA 0.152 52.987 53.050 -0.359 0.000 0.846 98 N CB 0.188 38.504 38.487 -0.286 0.000 1.145 98 N HN 0.220 nan 8.380 nan 0.000 0.502 99 L N 0.548 121.687 121.223 -0.140 0.000 3.598 99 L HA -0.204 4.135 4.340 -0.002 0.000 0.422 99 L C -0.779 176.183 176.870 0.154 0.000 1.262 99 L CA 0.433 55.331 54.840 0.097 0.000 0.889 99 L CB -1.545 40.570 42.059 0.093 0.000 1.857 99 L HN 0.222 nan 8.230 nan 0.000 0.858 100 D N 1.195 121.635 120.400 0.066 0.000 2.345 100 D HA 0.330 4.969 4.640 -0.002 0.000 0.247 100 D C 0.791 177.142 176.300 0.085 0.000 1.108 100 D CA 0.236 54.273 54.000 0.062 0.000 0.894 100 D CB 0.513 41.308 40.800 -0.008 0.000 1.203 100 D HN 0.207 nan 8.370 nan 0.000 0.430 101 R N 1.597 122.102 120.500 0.007 0.000 3.267 101 R HA -0.206 4.133 4.340 -0.002 0.000 0.254 101 R C -0.785 175.481 176.300 -0.056 0.000 0.993 101 R CA 0.435 56.450 56.100 -0.143 0.000 0.670 101 R CB -1.666 28.347 30.300 -0.478 0.000 1.125 101 R HN 0.403 nan 8.270 nan 0.000 0.434 102 D N 1.407 121.830 120.400 0.037 0.000 2.608 102 D HA 0.299 4.938 4.640 -0.002 0.000 0.224 102 D C -0.141 176.113 176.300 -0.077 0.000 1.123 102 D CA 0.064 54.048 54.000 -0.025 0.000 1.030 102 D CB 0.121 41.030 40.800 0.181 0.000 1.093 102 D HN 0.417 nan 8.370 nan 0.000 0.497 103 I N 0.680 121.153 120.570 -0.161 0.000 2.865 103 I HA 0.747 4.916 4.170 -0.002 0.000 0.302 103 I C -1.677 174.418 176.117 -0.036 0.000 1.140 103 I CA -0.744 60.524 61.300 -0.053 0.000 1.021 103 I CB 1.845 39.835 38.000 -0.017 0.000 1.233 103 I HN 0.238 nan 8.210 nan 0.000 0.427 104 A N 6.570 129.503 122.820 0.188 0.000 2.582 104 A HA 0.686 5.005 4.320 -0.002 0.000 0.297 104 A C -2.119 175.730 177.584 0.441 0.000 1.059 104 A CA -0.479 51.773 52.037 0.359 0.000 0.705 104 A CB 1.270 20.369 19.000 0.165 0.000 1.279 104 A HN 0.606 nan 8.150 nan 0.000 0.404 105 L N 1.485 123.043 121.223 0.560 0.000 2.330 105 L HA 0.779 5.118 4.340 -0.002 0.000 0.271 105 L C -0.250 176.932 176.870 0.521 0.000 1.013 105 L CA -0.516 54.613 54.840 0.482 0.000 0.816 105 L CB 2.001 44.279 42.059 0.366 0.000 1.287 105 L HN 0.776 nan 8.230 nan 0.000 0.435 106 M N 2.433 122.301 119.600 0.446 0.000 2.327 106 M HA 0.396 4.875 4.480 -0.002 0.000 0.298 106 M C -0.865 175.486 176.300 0.085 0.000 1.065 106 M CA -0.527 54.932 55.300 0.265 0.000 0.916 106 M CB 2.426 35.118 32.600 0.154 0.000 1.630 106 M HN 0.344 nan 8.290 nan 0.000 0.442 107 K N 4.133 124.444 120.400 -0.149 0.000 2.253 107 K HA 0.514 4.833 4.320 -0.002 0.000 0.277 107 K C -0.984 175.411 176.600 -0.341 0.000 1.053 107 K CA -0.406 55.513 56.287 -0.614 0.000 0.892 107 K CB 0.804 32.810 32.500 -0.822 0.000 1.102 107 K HN 0.755 nan 8.250 nan 0.000 0.469 108 L N 4.669 125.702 121.223 -0.316 0.000 2.461 108 L HA 0.032 4.371 4.340 -0.002 0.000 0.272 108 L C 1.661 178.428 176.870 -0.171 0.000 1.197 108 L CA 0.091 54.827 54.840 -0.174 0.000 0.836 108 L CB 0.497 42.490 42.059 -0.110 0.000 1.105 108 L HN 0.699 nan 8.230 nan 0.000 0.477 109 K N 1.605 121.940 120.400 -0.108 0.000 2.097 109 K HA -0.060 4.259 4.320 -0.002 0.000 0.206 109 K C -0.030 176.520 176.600 -0.082 0.000 1.049 109 K CA 1.409 57.643 56.287 -0.088 0.000 0.933 109 K CB 0.131 32.595 32.500 -0.059 0.000 0.717 109 K HN 0.515 nan 8.250 nan 0.000 0.442 110 K N 0.458 120.812 120.400 -0.076 0.000 2.464 110 K HA 0.313 4.632 4.320 -0.002 0.000 0.253 110 K C -2.795 173.759 176.600 -0.077 0.000 0.933 110 K CA -2.146 54.099 56.287 -0.069 0.000 0.801 110 K CB 2.011 34.481 32.500 -0.050 0.000 1.271 110 K HN -0.210 nan 8.250 nan 0.000 0.430 111 P HA -0.013 nan 4.420 nan 0.000 0.268 111 P C -0.592 176.646 177.300 -0.103 0.000 1.208 111 P CA -0.405 62.632 63.100 -0.106 0.000 0.777 111 P CB 0.626 32.252 31.700 -0.123 0.000 0.875 112 V N 1.706 121.549 119.914 -0.118 0.000 2.612 112 V HA 0.592 4.711 4.120 -0.002 0.000 0.301 112 V C -0.152 175.821 176.094 -0.202 0.000 1.046 112 V CA -0.840 61.411 62.300 -0.082 0.000 0.946 112 V CB 1.449 33.288 31.823 0.028 0.000 1.003 112 V HN 0.701 nan 8.190 nan 0.000 0.459 113 A N 5.798 128.560 122.820 -0.096 0.000 2.309 113 A HA 0.638 4.957 4.320 -0.002 0.000 0.290 113 A C -0.382 177.249 177.584 0.078 0.000 1.206 113 A CA -0.349 51.626 52.037 -0.103 0.000 0.850 113 A CB -0.133 18.853 19.000 -0.024 0.000 1.118 113 A HN 0.608 nan 8.150 nan 0.000 0.523 114 F N 1.886 121.877 119.950 0.067 0.000 2.539 114 F HA 0.377 4.903 4.527 -0.002 0.000 0.340 114 F C 1.444 177.303 175.800 0.097 0.000 1.185 114 F CA 0.549 58.608 58.000 0.099 0.000 1.333 114 F CB 0.588 39.660 39.000 0.119 0.000 1.152 114 F HN 0.806 nan 8.300 nan 0.000 0.602 115 S N -0.413 115.481 115.700 0.323 0.000 2.873 115 S HA 0.326 4.795 4.470 -0.002 0.000 0.303 115 S C -0.042 174.564 174.600 0.010 0.000 1.222 115 S CA -0.674 57.618 58.200 0.154 0.000 0.923 115 S CB 1.101 64.398 63.200 0.162 0.000 1.286 115 S HN 0.318 nan 8.310 nan 0.000 0.571 116 D N -0.118 120.168 120.400 -0.189 0.000 2.317 116 D HA 0.179 4.818 4.640 -0.002 0.000 0.211 116 D C 0.635 176.572 176.300 -0.606 0.000 0.966 116 D CA 1.109 54.819 54.000 -0.483 0.000 0.876 116 D CB -0.203 40.142 40.800 -0.758 0.000 0.927 116 D HN 0.528 nan 8.370 nan 0.000 0.519 117 Y N -0.421 119.876 120.300 -0.006 0.000 2.462 117 Y HA 0.361 4.911 4.550 -0.001 0.000 0.253 117 Y C 0.775 176.682 175.900 0.011 0.000 1.095 117 Y CA -0.224 57.864 58.100 -0.020 0.000 1.283 117 Y CB 0.959 39.413 38.460 -0.010 0.000 1.138 117 Y HN -0.199 nan 8.280 nan 0.000 0.522 118 I N 0.609 121.292 120.570 0.187 0.000 2.420 118 I HA 0.321 4.490 4.170 -0.002 0.000 0.282 118 I C -1.221 174.994 176.117 0.164 0.000 1.019 118 I CA -0.452 60.969 61.300 0.202 0.000 1.130 118 I CB 1.230 39.395 38.000 0.276 0.000 1.262 118 I HN 0.023 nan 8.210 nan 0.000 0.454 119 H N 7.237 126.255 119.070 -0.087 0.000 3.029 119 H HA 0.455 5.010 4.556 -0.002 0.000 0.358 119 H C -2.859 172.398 175.328 -0.118 0.000 1.129 119 H CA -1.325 54.537 56.048 -0.310 0.000 1.230 119 H CB 2.953 32.625 29.762 -0.149 0.000 1.827 119 H HN 0.199 nan 8.280 nan 0.000 0.530 120 P HA 0.085 nan 4.420 nan 0.000 0.274 120 P C -0.615 176.613 177.300 -0.120 0.000 1.231 120 P CA -0.266 62.677 63.100 -0.261 0.000 0.790 120 P CB 1.311 32.806 31.700 -0.341 0.000 0.951 121 V N 2.365 122.168 119.914 -0.184 0.000 2.837 121 V HA 0.337 4.456 4.120 -0.002 0.000 0.310 121 V C -0.275 175.603 176.094 -0.361 0.000 1.059 121 V CA -0.492 61.461 62.300 -0.578 0.000 1.004 121 V CB 1.372 32.554 31.823 -1.069 0.000 1.045 121 V HN 0.680 nan 8.190 nan 0.000 0.465 122 C N 4.844 123.890 119.300 -0.423 0.000 2.382 122 C HA 0.570 5.029 4.460 -0.002 0.000 0.363 122 C C 0.110 175.053 174.990 -0.078 0.000 1.213 122 C CA -0.895 57.959 59.018 -0.273 0.000 2.363 122 C CB 0.397 27.851 27.740 -0.476 0.000 2.397 122 C HN 0.756 nan 8.230 nan 0.000 0.573 123 L N 3.547 124.813 121.223 0.071 0.000 2.325 123 L HA 0.432 4.771 4.340 -0.002 0.000 0.279 123 L C -1.905 175.159 176.870 0.324 0.000 1.054 123 L CA -1.316 53.629 54.840 0.175 0.000 0.804 123 L CB 1.327 43.455 42.059 0.115 0.000 1.200 123 L HN 0.468 nan 8.230 nan 0.000 0.436 124 P HA 0.176 nan 4.420 nan 0.000 0.274 124 P C -1.636 175.846 177.300 0.303 0.000 1.237 124 P CA -0.480 62.769 63.100 0.249 0.000 0.793 124 P CB 0.700 32.495 31.700 0.157 0.000 0.977 125 D N -1.179 119.289 120.400 0.115 0.000 2.442 125 D HA 0.320 4.959 4.640 -0.002 0.000 0.254 125 D C 1.338 177.598 176.300 -0.066 0.000 1.069 125 D CA -0.960 53.145 54.000 0.175 0.000 1.017 125 D CB 1.105 41.954 40.800 0.082 0.000 1.172 125 D HN 0.172 nan 8.370 nan 0.000 0.561 126 R N -0.275 120.237 120.500 0.019 0.000 2.094 126 R HA -0.271 4.068 4.340 -0.002 0.000 0.239 126 R C 2.302 178.399 176.300 -0.340 0.000 1.137 126 R CA 2.575 58.522 56.100 -0.256 0.000 0.943 126 R CB -0.701 29.637 30.300 0.065 0.000 0.850 126 R HN 0.709 nan 8.270 nan 0.000 0.433 127 E N 0.157 120.239 120.200 -0.196 0.000 2.072 127 E HA -0.080 4.269 4.350 -0.002 0.000 0.191 127 E C 0.916 177.367 176.600 -0.248 0.000 0.985 127 E CA 1.433 57.722 56.400 -0.185 0.000 0.801 127 E CB -1.015 28.613 29.700 -0.119 0.000 0.750 127 E HN 0.455 nan 8.360 nan 0.000 0.452 128 T N 0.903 115.278 114.554 -0.300 0.000 2.792 128 T HA 0.344 4.693 4.350 -0.002 0.000 0.286 128 T C 0.984 175.459 174.700 -0.374 0.000 0.970 128 T CA 0.967 62.835 62.100 -0.387 0.000 1.187 128 T CB -0.021 68.498 68.868 -0.581 0.000 0.915 128 T HN 0.518 nan 8.240 nan 0.000 0.529 129 L N 1.601 122.773 121.223 -0.084 0.000 1.988 129 L HA -0.137 4.202 4.340 -0.002 0.000 0.490 129 L C 0.749 177.651 176.870 0.053 0.000 0.728 129 L CA 0.335 55.138 54.840 -0.062 0.000 3.008 129 L CB -0.922 41.037 42.059 -0.167 0.000 0.828 129 L HN 0.488 nan 8.230 nan 0.000 0.711 130 L N 2.804 123.982 121.223 -0.075 0.000 2.416 130 L HA 0.131 4.470 4.340 -0.002 0.000 0.243 130 L C 0.246 177.033 176.870 -0.139 0.000 1.373 130 L CA 0.713 55.449 54.840 -0.173 0.000 1.227 130 L CB -0.076 41.812 42.059 -0.285 0.000 1.428 130 L HN 0.215 nan 8.230 nan 0.000 0.425 131 Q N 1.225 120.982 119.800 -0.073 0.000 2.356 131 Q HA 0.552 4.891 4.340 -0.002 0.000 0.270 131 Q C -0.208 175.577 176.000 -0.359 0.000 1.058 131 Q CA -0.846 54.794 55.803 -0.271 0.000 0.802 131 Q CB 2.609 31.061 28.738 -0.477 0.000 1.303 131 Q HN 0.500 nan 8.270 nan 0.000 0.444 132 A N 0.952 123.592 122.820 -0.300 0.000 2.565 132 A HA 0.378 4.697 4.320 -0.002 0.000 0.237 132 A C 1.223 178.629 177.584 -0.297 0.000 1.053 132 A CA 1.329 53.216 52.037 -0.250 0.000 0.755 132 A CB -0.588 18.294 19.000 -0.197 0.000 0.980 132 A HN 1.089 nan 8.150 nan 0.000 0.506 133 G N 0.602 109.292 108.800 -0.183 0.000 2.254 133 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.225 133 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.225 133 G C 0.099 175.011 174.900 0.020 0.000 1.003 133 G CA 0.269 45.297 45.100 -0.120 0.000 0.622 133 G HN 0.766 nan 8.290 nan 0.000 0.507 134 Y N 1.900 122.163 120.300 -0.063 0.000 2.336 134 Y HA 0.578 5.127 4.550 -0.002 0.000 0.331 134 Y C 1.142 177.023 175.900 -0.032 0.000 1.211 134 Y CA -0.863 57.206 58.100 -0.051 0.000 1.346 134 Y CB 0.697 39.116 38.460 -0.069 0.000 1.271 134 Y HN 0.107 nan 8.280 nan 0.000 0.538 135 K N 1.436 121.918 120.400 0.136 0.000 2.130 135 K HA 0.617 4.936 4.320 -0.002 0.000 0.268 135 K C 0.303 176.912 176.600 0.014 0.000 0.983 135 K CA -0.537 55.788 56.287 0.063 0.000 0.893 135 K CB 1.339 33.862 32.500 0.037 0.000 1.066 135 K HN 0.856 nan 8.250 nan 0.000 0.450 136 G N 1.071 109.835 108.800 -0.059 0.000 2.735 136 G HA2 0.546 4.505 3.960 -0.002 0.000 0.301 136 G HA3 0.546 4.505 3.960 -0.002 0.000 0.301 136 G C -1.278 173.289 174.900 -0.554 0.000 1.279 136 G CA -0.616 44.132 45.100 -0.586 0.000 1.019 136 G HN 0.528 nan 8.290 nan 0.000 0.497 137 R N -0.402 119.674 120.500 -0.707 0.000 2.538 137 R HA 0.550 4.889 4.340 -0.002 0.000 0.292 137 R C -1.596 174.538 176.300 -0.277 0.000 1.008 137 R CA -0.414 55.501 56.100 -0.308 0.000 0.896 137 R CB 2.004 32.252 30.300 -0.087 0.000 1.187 137 R HN 0.357 nan 8.270 nan 0.000 0.440 138 V N 2.793 122.643 119.914 -0.106 0.000 2.630 138 V HA 0.607 4.726 4.120 -0.002 0.000 0.305 138 V C -0.108 175.979 176.094 -0.012 0.000 1.046 138 V CA -0.613 61.704 62.300 0.029 0.000 0.934 138 V CB 1.888 33.826 31.823 0.191 0.000 1.003 138 V HN 0.969 nan 8.190 nan 0.000 0.451 139 T N 0.122 114.663 114.554 -0.022 0.000 2.912 139 T HA 0.919 5.268 4.350 -0.002 0.000 0.299 139 T C -0.214 174.370 174.700 -0.192 0.000 1.052 139 T CA -0.277 61.737 62.100 -0.143 0.000 0.996 139 T CB 1.987 70.722 68.868 -0.222 0.000 1.070 139 T HN 1.397 nan 8.240 nan 0.000 0.465 140 G N -0.014 108.581 108.800 -0.342 0.000 2.349 140 G HA2 0.444 4.403 3.960 -0.002 0.000 0.294 140 G HA3 0.444 4.403 3.960 -0.002 0.000 0.294 140 G C -1.432 173.200 174.900 -0.446 0.000 1.380 140 G CA -0.826 44.058 45.100 -0.360 0.000 0.811 140 G HN 0.641 nan 8.290 nan 0.000 0.519 141 W N 0.877 122.189 121.300 0.021 0.000 2.846 141 W HA 0.392 5.051 4.660 -0.001 0.000 0.391 141 W C 0.995 177.528 176.519 0.022 0.000 1.011 141 W CA -0.187 57.162 57.345 0.006 0.000 1.832 141 W CB 0.903 30.371 29.460 0.014 0.000 1.151 141 W HN 0.798 nan 8.180 nan 0.000 0.582 142 G N 1.372 110.286 108.800 0.190 0.000 2.616 142 G HA2 0.040 3.999 3.960 -0.002 0.000 0.268 142 G HA3 0.040 3.999 3.960 -0.002 0.000 0.268 142 G C 0.318 175.281 174.900 0.105 0.000 1.213 142 G CA -0.497 44.696 45.100 0.155 0.000 0.926 142 G HN -0.124 nan 8.290 nan 0.000 0.523 143 N N -0.486 118.286 118.700 0.120 0.000 2.225 143 N HA -0.066 4.673 4.740 -0.002 0.000 0.257 143 N C 1.319 176.849 175.510 0.033 0.000 1.252 143 N CA 0.116 53.220 53.050 0.091 0.000 0.833 143 N CB 0.905 39.549 38.487 0.261 0.000 1.068 143 N HN 0.355 nan 8.380 nan 0.000 0.468 144 L N 0.818 121.993 121.223 -0.081 0.000 2.446 144 L HA 0.100 4.439 4.340 -0.002 0.000 0.219 144 L C 0.606 177.467 176.870 -0.016 0.000 1.116 144 L CA 0.873 55.670 54.840 -0.072 0.000 0.844 144 L CB -0.010 41.958 42.059 -0.151 0.000 0.970 144 L HN 0.358 nan 8.230 nan 0.000 0.457 145 K N -0.704 119.725 120.400 0.049 0.000 2.527 145 K HA 0.117 4.436 4.320 -0.002 0.000 0.260 145 K C 0.258 177.057 176.600 0.333 0.000 0.937 145 K CA -0.431 55.968 56.287 0.187 0.000 0.826 145 K CB 2.652 35.289 32.500 0.228 0.000 1.359 145 K HN -0.209 nan 8.250 nan 0.000 0.434 146 E N 0.625 120.964 120.200 0.232 0.000 2.110 146 E HA -0.112 4.238 4.350 -0.002 0.000 0.193 146 E C -0.038 176.684 176.600 0.203 0.000 0.988 146 E CA 1.273 57.790 56.400 0.195 0.000 0.804 146 E CB 0.413 30.184 29.700 0.118 0.000 0.745 146 E HN 0.428 nan 8.360 nan 0.000 0.458 147 T N -1.958 112.740 114.554 0.241 0.000 2.816 147 T HA 0.486 4.835 4.350 -0.002 0.000 0.299 147 T C -1.866 173.011 174.700 0.294 0.000 1.230 147 T CA -0.252 61.904 62.100 0.094 0.000 1.007 147 T CB 1.075 69.930 68.868 -0.022 0.000 1.289 147 T HN 0.432 nan 8.240 nan 0.000 0.508 148 W N -0.264 121.048 121.300 0.020 0.000 3.923 148 W HA 0.499 5.159 4.660 -0.001 0.000 0.348 148 W C -1.139 175.389 176.519 0.016 0.000 3.285 148 W CA -0.403 56.953 57.345 0.018 0.000 1.407 148 W CB -0.310 29.162 29.460 0.020 0.000 1.778 148 W HN 0.490 nan 8.180 nan 0.000 0.510 149 K N 1.927 122.231 120.400 -0.160 0.000 2.402 149 K HA 0.348 4.667 4.320 -0.002 0.000 0.279 149 K C 0.951 177.240 176.600 -0.520 0.000 1.082 149 K CA 0.682 56.849 56.287 -0.199 0.000 1.080 149 K CB 0.095 32.537 32.500 -0.097 0.000 0.899 149 K HN 0.722 nan 8.250 nan 0.000 0.469 150 G N 2.434 110.708 108.800 -0.877 0.000 2.498 150 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.219 150 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.219 150 G C 0.292 174.804 174.900 -0.646 0.000 1.119 150 G CA 0.579 44.695 45.100 -1.640 0.000 0.766 150 G HN 0.610 nan 8.290 nan 0.000 0.552 151 Q N 0.320 119.947 119.800 -0.288 0.000 2.266 151 Q HA 0.479 4.818 4.340 -0.002 0.000 0.261 151 Q C -2.489 173.466 176.000 -0.074 0.000 0.985 151 Q CA -2.049 53.691 55.803 -0.105 0.000 0.873 151 Q CB 2.151 30.893 28.738 0.006 0.000 1.306 151 Q HN 0.027 nan 8.270 nan 0.000 0.447 152 P HA 0.176 nan 4.420 nan 0.000 0.281 152 P C -0.402 176.925 177.300 0.046 0.000 1.249 152 P CA -0.385 62.716 63.100 0.002 0.000 0.810 152 P CB 1.311 33.019 31.700 0.013 0.000 1.008 153 S N -0.059 115.652 115.700 0.019 0.000 2.395 153 S HA 0.081 4.550 4.470 -0.002 0.000 0.225 153 S C 1.102 175.723 174.600 0.036 0.000 1.027 153 S CA 0.523 58.736 58.200 0.021 0.000 0.965 153 S CB -0.456 62.745 63.200 0.003 0.000 0.812 153 S HN 0.575 nan 8.310 nan 0.000 0.482 154 V N -1.032 118.886 119.914 0.006 0.000 3.102 154 V HA 0.692 4.811 4.120 -0.002 0.000 0.312 154 V C -0.396 175.647 176.094 -0.086 0.000 1.135 154 V CA -1.683 60.558 62.300 -0.097 0.000 1.022 154 V CB 1.255 32.853 31.823 -0.374 0.000 1.056 154 V HN 0.145 nan 8.190 nan 0.000 0.436 155 L N 2.711 123.808 121.223 -0.209 0.000 2.578 155 L HA 0.227 4.566 4.340 -0.002 0.000 0.279 155 L C 0.276 176.918 176.870 -0.381 0.000 1.227 155 L CA 1.238 55.725 54.840 -0.588 0.000 0.900 155 L CB -0.048 41.645 42.059 -0.608 0.000 1.144 155 L HN 0.835 nan 8.230 nan 0.000 0.496 156 Q N 3.760 123.342 119.800 -0.363 0.000 2.226 156 Q HA 0.604 4.943 4.340 -0.002 0.000 0.256 156 Q C -1.006 174.882 176.000 -0.188 0.000 0.962 156 Q CA -0.464 55.218 55.803 -0.201 0.000 0.887 156 Q CB 2.223 30.884 28.738 -0.127 0.000 1.282 156 Q HN 0.574 nan 8.270 nan 0.000 0.449 157 V N 1.099 120.944 119.914 -0.114 0.000 2.841 157 V HA 0.778 4.897 4.120 -0.002 0.000 0.310 157 V C -1.605 174.469 176.094 -0.034 0.000 1.090 157 V CA -0.642 61.604 62.300 -0.090 0.000 0.930 157 V CB 2.279 34.039 31.823 -0.104 0.000 1.014 157 V HN 0.518 nan 8.190 nan 0.000 0.425 158 V N 5.866 125.774 119.914 -0.010 0.000 2.932 158 V HA 0.678 4.797 4.120 -0.002 0.000 0.307 158 V C -1.402 174.713 176.094 0.035 0.000 1.147 158 V CA -0.630 61.692 62.300 0.037 0.000 0.951 158 V CB 2.658 34.523 31.823 0.071 0.000 1.031 158 V HN 1.000 nan 8.190 nan 0.000 0.426 159 N N 6.400 125.142 118.700 0.071 0.000 2.444 159 N HA 0.658 5.397 4.740 -0.002 0.000 0.262 159 N C -1.104 174.454 175.510 0.081 0.000 0.974 159 N CA -0.145 52.935 53.050 0.050 0.000 0.933 159 N CB 1.620 40.149 38.487 0.070 0.000 1.137 159 N HN 0.588 nan 8.380 nan 0.000 0.498 160 L N 2.552 123.778 121.223 0.005 0.000 2.354 160 L HA 0.675 5.014 4.340 -0.002 0.000 0.269 160 L C -2.312 174.500 176.870 -0.096 0.000 1.005 160 L CA -2.011 52.764 54.840 -0.108 0.000 0.819 160 L CB 2.572 44.650 42.059 0.031 0.000 1.311 160 L HN 0.232 nan 8.230 nan 0.000 0.423 161 P HA 0.363 nan 4.420 nan 0.000 0.282 161 P C -0.786 176.462 177.300 -0.087 0.000 1.259 161 P CA -0.448 62.567 63.100 -0.142 0.000 0.826 161 P CB 1.171 32.737 31.700 -0.223 0.000 1.064 162 I N 0.727 121.265 120.570 -0.053 0.000 2.474 162 I HA 0.195 4.364 4.170 -0.002 0.000 0.287 162 I C 0.398 176.412 176.117 -0.171 0.000 1.048 162 I CA -0.679 60.555 61.300 -0.111 0.000 1.383 162 I CB 0.961 38.870 38.000 -0.151 0.000 1.412 162 I HN -0.023 nan 8.210 nan 0.000 0.531 163 V N 5.201 124.981 119.914 -0.223 0.000 2.612 163 V HA 0.169 4.288 4.120 -0.002 0.000 0.301 163 V C -0.143 175.816 176.094 -0.225 0.000 1.046 163 V CA -0.828 61.293 62.300 -0.299 0.000 0.946 163 V CB 1.684 33.153 31.823 -0.590 0.000 1.003 163 V HN 0.646 nan 8.190 nan 0.000 0.459 164 E N 3.605 123.691 120.200 -0.190 0.000 2.480 164 E HA 0.092 4.441 4.350 -0.002 0.000 0.258 164 E C 1.156 177.699 176.600 -0.096 0.000 0.984 164 E CA 0.149 56.473 56.400 -0.126 0.000 0.930 164 E CB 0.129 29.769 29.700 -0.101 0.000 0.936 164 E HN 0.375 nan 8.360 nan 0.000 0.466 165 R N 4.390 124.863 120.500 -0.045 0.000 2.162 165 R HA -0.223 4.116 4.340 -0.002 0.000 0.245 165 R C -0.748 175.566 176.300 0.023 0.000 1.129 165 R CA 2.218 58.325 56.100 0.012 0.000 0.940 165 R CB -1.729 28.594 30.300 0.039 0.000 0.875 165 R HN 0.534 nan 8.270 nan 0.000 0.437 166 P HA -0.132 nan 4.420 nan 0.000 0.215 166 P C 1.676 178.991 177.300 0.025 0.000 1.157 166 P CA 1.332 64.445 63.100 0.021 0.000 0.874 166 P CB -0.210 31.494 31.700 0.007 0.000 0.790 167 V N 0.080 119.984 119.914 -0.017 0.000 2.343 167 V HA -0.279 3.840 4.120 -0.002 0.000 0.247 167 V C 2.852 178.946 176.094 -0.000 0.000 1.051 167 V CA 2.204 64.487 62.300 -0.028 0.000 1.036 167 V CB -1.630 30.120 31.823 -0.123 0.000 0.654 167 V HN 0.180 nan 8.190 nan 0.000 0.451 168 c N 0.263 118.839 118.600 -0.040 0.000 2.413 168 c HA -0.145 4.424 4.570 -0.002 0.000 0.277 168 c C 3.203 177.461 174.090 0.280 0.000 1.228 168 c CA 1.402 57.782 56.329 0.084 0.000 1.731 168 c CB -1.406 41.149 42.510 0.075 0.000 2.042 168 c HN 0.664 nan 8.230 nan 0.000 0.468 169 K N 0.620 121.142 120.400 0.202 0.000 2.074 169 K HA -0.230 4.089 4.320 -0.002 0.000 0.209 169 K C 1.354 178.052 176.600 0.163 0.000 1.048 169 K CA 2.259 58.655 56.287 0.181 0.000 0.926 169 K CB -1.011 31.559 32.500 0.117 0.000 0.713 169 K HN 0.598 nan 8.250 nan 0.000 0.444 170 D N 0.038 120.523 120.400 0.141 0.000 2.338 170 D HA -0.017 4.622 4.640 -0.002 0.000 0.239 170 D C 1.355 177.756 176.300 0.167 0.000 1.095 170 D CA 1.249 55.326 54.000 0.129 0.000 0.888 170 D CB 0.313 41.173 40.800 0.099 0.000 0.899 170 D HN 0.617 nan 8.370 nan 0.000 0.525 171 S N -1.549 114.294 115.700 0.237 0.000 2.540 171 S HA 0.125 4.594 4.470 -0.002 0.000 0.222 171 S C 0.717 175.473 174.600 0.261 0.000 1.008 171 S CA -0.256 58.107 58.200 0.272 0.000 0.939 171 S CB 0.723 64.165 63.200 0.404 0.000 0.865 171 S HN -0.092 nan 8.310 nan 0.000 0.499 172 T N 0.651 115.352 114.554 0.244 0.000 2.903 172 T HA 0.676 5.025 4.350 -0.002 0.000 0.299 172 T C 0.789 175.552 174.700 0.105 0.000 1.093 172 T CA -0.405 61.814 62.100 0.199 0.000 1.002 172 T CB 1.889 70.910 68.868 0.257 0.000 1.127 172 T HN 0.177 nan 8.240 nan 0.000 0.488 173 R N 0.852 121.385 120.500 0.055 0.000 2.297 173 R HA 0.402 4.741 4.340 -0.002 0.000 0.197 173 R C 0.932 177.215 176.300 -0.028 0.000 0.943 173 R CA 0.446 56.555 56.100 0.015 0.000 1.038 173 R CB -0.854 29.446 30.300 -0.000 0.000 0.957 173 R HN 0.758 nan 8.270 nan 0.000 0.484 174 I N 0.819 121.354 120.570 -0.058 0.000 2.779 174 I HA 0.143 4.312 4.170 -0.002 0.000 0.285 174 I C 0.770 176.822 176.117 -0.108 0.000 1.134 174 I CA -0.452 60.754 61.300 -0.157 0.000 1.398 174 I CB 1.129 38.911 38.000 -0.364 0.000 1.404 174 I HN 0.244 nan 8.210 nan 0.000 0.587 175 R N 6.471 126.890 120.500 -0.135 0.000 2.248 175 R HA 0.319 4.659 4.340 -0.002 0.000 0.337 175 R C -0.261 175.999 176.300 -0.067 0.000 1.106 175 R CA -0.401 55.651 56.100 -0.080 0.000 0.959 175 R CB 0.108 30.360 30.300 -0.079 0.000 1.075 175 R HN 0.573 nan 8.270 nan 0.000 0.480 176 I N 1.054 121.623 120.570 -0.002 0.000 2.764 176 I HA 0.425 4.595 4.170 -0.002 0.000 0.294 176 I C 0.219 176.381 176.117 0.076 0.000 1.045 176 I CA -0.558 60.776 61.300 0.058 0.000 1.340 176 I CB 1.676 39.761 38.000 0.141 0.000 1.436 176 I HN 0.508 nan 8.210 nan 0.000 0.567 177 T N -0.229 114.389 114.554 0.107 0.000 2.883 177 T HA 0.346 4.695 4.350 -0.002 0.000 0.284 177 T C 0.314 175.083 174.700 0.117 0.000 1.041 177 T CA -0.520 61.630 62.100 0.083 0.000 1.007 177 T CB 1.553 70.450 68.868 0.048 0.000 1.220 177 T HN 0.620 nan 8.240 nan 0.000 0.552 178 D N 0.391 120.836 120.400 0.074 0.000 2.363 178 D HA 0.106 4.745 4.640 -0.002 0.000 0.226 178 D C 0.873 177.205 176.300 0.054 0.000 1.020 178 D CA 0.349 54.386 54.000 0.062 0.000 0.892 178 D CB -0.150 40.656 40.800 0.010 0.000 0.900 178 D HN 0.397 nan 8.370 nan 0.000 0.531 179 N N -0.358 118.400 118.700 0.096 0.000 2.270 179 N HA 0.134 4.873 4.740 -0.002 0.000 0.198 179 N C 0.168 175.839 175.510 0.267 0.000 1.117 179 N CA 0.228 53.357 53.050 0.130 0.000 0.845 179 N CB 0.508 39.030 38.487 0.058 0.000 0.980 179 N HN 0.267 nan 8.380 nan 0.000 0.486 180 M N -0.257 119.531 119.600 0.314 0.000 2.719 180 M HA 0.532 5.011 4.480 -0.002 0.000 0.291 180 M C -1.282 175.273 176.300 0.426 0.000 1.264 180 M CA -1.102 54.395 55.300 0.328 0.000 0.811 180 M CB 2.571 35.385 32.600 0.357 0.000 1.756 180 M HN -0.059 nan 8.290 nan 0.000 0.464 181 F N -0.272 119.795 119.950 0.195 0.000 2.703 181 F HA 0.767 5.293 4.527 -0.001 0.000 0.308 181 F C -1.350 174.350 175.800 -0.166 0.000 1.126 181 F CA -1.618 56.393 58.000 0.018 0.000 0.959 181 F CB 0.582 39.534 39.000 -0.079 0.000 1.297 181 F HN 0.888 nan 8.300 nan 0.000 0.441 182 c N 2.145 120.677 118.600 -0.114 0.000 2.562 182 c HA 1.044 5.613 4.570 -0.002 0.000 0.332 182 c C -0.449 173.495 174.090 -0.243 0.000 1.201 182 c CA 0.086 56.118 56.329 -0.494 0.000 1.803 182 c CB 0.759 42.618 42.510 -1.084 0.000 2.328 182 c HN 1.730 nan 8.230 nan 0.000 0.500 183 A N 1.407 124.106 122.820 -0.202 0.000 2.520 183 A HA 0.735 5.054 4.320 -0.002 0.000 0.298 183 A C -1.450 176.170 177.584 0.060 0.000 1.051 183 A CA -0.469 51.506 52.037 -0.103 0.000 0.690 183 A CB 0.619 19.529 19.000 -0.149 0.000 1.281 183 A HN 0.900 nan 8.150 nan 0.000 0.402 184 Y N 0.873 121.294 120.300 0.201 0.000 2.314 184 Y HA 0.289 4.838 4.550 -0.002 0.000 0.334 184 Y C 1.479 177.518 175.900 0.231 0.000 1.266 184 Y CA 0.388 58.589 58.100 0.168 0.000 1.391 184 Y CB 1.060 39.579 38.460 0.098 0.000 1.306 184 Y HN 0.731 nan 8.280 nan 0.000 0.558 185 K N 0.858 121.479 120.400 0.370 0.000 2.374 185 K HA 0.080 4.399 4.320 -0.002 0.000 0.196 185 K C -0.107 176.601 176.600 0.179 0.000 1.023 185 K CA -0.000 56.464 56.287 0.295 0.000 1.103 185 K CB 0.119 32.764 32.500 0.240 0.000 0.848 185 K HN 0.567 nan 8.250 nan 0.000 0.528 186 K N 1.021 121.262 120.400 -0.264 0.000 2.239 186 K HA -0.273 4.046 4.320 -0.002 0.000 0.548 186 K C -0.292 176.122 176.600 -0.311 0.000 2.173 186 K CA 1.201 57.198 56.287 -0.484 0.000 1.637 186 K CB -0.095 31.744 32.500 -1.100 0.000 1.787 186 K HN 0.219 nan 8.250 nan 0.000 0.739 187 R N -0.652 119.737 120.500 -0.186 0.000 2.885 187 R HA 0.800 5.139 4.340 -0.002 0.000 0.260 187 R C -0.430 175.976 176.300 0.177 0.000 1.107 187 R CA -0.826 55.311 56.100 0.062 0.000 0.978 187 R CB 2.194 32.515 30.300 0.034 0.000 1.227 187 R HN 0.857 nan 8.270 nan 0.000 0.473 188 G N 0.652 109.563 108.800 0.185 0.000 2.307 188 G HA2 0.306 4.265 3.960 -0.002 0.000 0.348 188 G HA3 0.306 4.265 3.960 -0.002 0.000 0.348 188 G C -2.114 172.888 174.900 0.170 0.000 1.603 188 G CA -0.591 44.617 45.100 0.180 0.000 0.961 188 G HN 0.598 nan 8.290 nan 0.000 0.686 189 D N -0.662 119.820 120.400 0.137 0.000 2.742 189 D HA 0.742 5.382 4.640 -0.002 0.000 0.262 189 D C 0.256 176.631 176.300 0.124 0.000 1.240 189 D CA 0.650 54.731 54.000 0.135 0.000 0.752 189 D CB 1.547 42.407 40.800 0.100 0.000 1.290 189 D HN 1.164 nan 8.370 nan 0.000 0.420 190 A N 0.067 122.965 122.820 0.130 0.000 2.246 190 A HA 0.789 5.108 4.320 -0.002 0.000 0.291 190 A C -0.105 177.532 177.584 0.088 0.000 1.103 190 A CA -0.160 51.944 52.037 0.111 0.000 0.844 190 A CB 0.790 19.855 19.000 0.108 0.000 1.136 190 A HN 0.706 nan 8.150 nan 0.000 0.500 191 c N -1.392 117.264 118.600 0.094 0.000 3.314 191 c HA 0.493 5.062 4.570 -0.002 0.000 0.344 191 c C -0.253 173.911 174.090 0.124 0.000 1.461 191 c CA -0.562 55.831 56.329 0.107 0.000 1.249 191 c CB 0.912 43.493 42.510 0.118 0.000 1.632 191 c HN 1.020 nan 8.230 nan 0.000 0.452 192 E N 0.337 120.620 120.200 0.139 0.000 2.652 192 E HA 0.326 4.675 4.350 -0.002 0.000 0.255 192 E C 1.049 177.743 176.600 0.157 0.000 0.952 192 E CA 1.628 58.117 56.400 0.149 0.000 0.947 192 E CB -0.014 29.773 29.700 0.146 0.000 0.912 192 E HN 1.386 nan 8.360 nan 0.000 0.489 193 G N 4.665 113.560 108.800 0.159 0.000 2.259 193 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.217 193 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.217 193 G C 0.653 175.660 174.900 0.177 0.000 1.001 193 G CA 0.217 45.417 45.100 0.167 0.000 0.627 193 G HN 0.642 nan 8.290 nan 0.000 0.501 194 D N 1.311 121.803 120.400 0.153 0.000 2.333 194 D HA 0.194 4.834 4.640 -0.002 0.000 0.208 194 D C 1.433 177.814 176.300 0.136 0.000 0.984 194 D CA 0.817 54.898 54.000 0.135 0.000 0.873 194 D CB 0.069 40.932 40.800 0.106 0.000 0.935 194 D HN 0.400 nan 8.370 nan 0.000 0.521 195 S N -0.448 115.341 115.700 0.148 0.000 2.558 195 S HA 0.286 4.755 4.470 -0.002 0.000 0.291 195 S C 1.622 176.279 174.600 0.095 0.000 1.306 195 S CA 0.725 59.015 58.200 0.150 0.000 1.056 195 S CB 0.928 64.269 63.200 0.235 0.000 0.836 195 S HN 0.461 nan 8.310 nan 0.000 0.504 196 G N 1.655 110.500 108.800 0.075 0.000 2.225 196 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.254 196 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.254 196 G C 0.458 175.440 174.900 0.137 0.000 0.988 196 G CA -0.008 45.136 45.100 0.073 0.000 0.625 196 G HN 1.171 nan 8.290 nan 0.000 0.527 197 G N 0.645 109.536 108.800 0.152 0.000 2.636 197 G HA2 0.520 4.479 3.960 -0.002 0.000 0.246 197 G HA3 0.520 4.479 3.960 -0.002 0.000 0.246 197 G C -2.328 172.703 174.900 0.219 0.000 1.216 197 G CA -0.064 45.140 45.100 0.172 0.000 0.854 197 G HN 0.370 nan 8.290 nan 0.000 0.572 198 P HA 0.309 nan 4.420 nan 0.000 0.301 198 P C -1.322 176.151 177.300 0.289 0.000 1.337 198 P CA -0.774 62.483 63.100 0.262 0.000 0.889 198 P CB 1.530 33.373 31.700 0.238 0.000 1.050 199 F N 5.320 125.380 119.950 0.183 0.000 2.313 199 F HA 0.380 4.906 4.527 -0.002 0.000 0.369 199 F C -0.294 175.586 175.800 0.133 0.000 1.109 199 F CA -0.637 57.435 58.000 0.121 0.000 1.132 199 F CB 0.334 39.331 39.000 -0.006 0.000 1.291 199 F HN 0.130 nan 8.300 nan 0.000 0.496 200 V N 4.452 124.315 119.914 -0.085 0.000 2.975 200 V HA 0.684 4.803 4.120 -0.002 0.000 0.318 200 V C -0.504 175.610 176.094 0.033 0.000 1.077 200 V CA -0.939 61.404 62.300 0.072 0.000 1.000 200 V CB 2.038 33.954 31.823 0.154 0.000 1.066 200 V HN 0.752 nan 8.190 nan 0.000 0.452 201 M N 2.311 122.029 119.600 0.195 0.000 2.572 201 M HA 0.553 5.033 4.480 -0.002 0.000 0.299 201 M C -0.939 175.369 176.300 0.015 0.000 1.205 201 M CA -0.621 54.737 55.300 0.096 0.000 0.876 201 M CB 2.740 35.364 32.600 0.040 0.000 1.728 201 M HN 0.829 nan 8.290 nan 0.000 0.458 202 K N 0.862 121.068 120.400 -0.324 0.000 2.235 202 K HA 0.462 4.781 4.320 -0.002 0.000 0.266 202 K C -0.174 176.214 176.600 -0.353 0.000 0.980 202 K CA -0.226 55.655 56.287 -0.678 0.000 0.849 202 K CB 1.959 33.713 32.500 -1.242 0.000 1.098 202 K HN 0.731 nan 8.250 nan 0.000 0.445 203 S N 3.175 118.752 115.700 -0.205 0.000 2.792 203 S HA -0.045 4.424 4.470 -0.002 0.000 0.177 203 S C 0.560 175.058 174.600 -0.170 0.000 1.171 203 S CA 1.082 59.201 58.200 -0.134 0.000 1.839 203 S CB -0.215 62.996 63.200 0.020 0.000 0.559 203 S HN 1.024 nan 8.310 nan 0.000 0.458 204 N N 1.157 119.838 118.700 -0.033 0.000 2.634 204 N HA -0.331 4.408 4.740 -0.002 0.000 0.239 204 N C 0.135 175.627 175.510 -0.029 0.000 1.164 204 N CA 2.136 55.181 53.050 -0.008 0.000 0.915 204 N CB -2.237 36.274 38.487 0.039 0.000 1.189 204 N HN 0.725 nan 8.380 nan 0.000 0.594 205 N N -2.127 116.529 118.700 -0.073 0.000 2.828 205 N HA -0.208 4.531 4.740 -0.002 0.000 0.248 205 N C -1.115 174.293 175.510 -0.170 0.000 1.044 205 N CA 1.453 54.429 53.050 -0.123 0.000 0.851 205 N CB -0.713 37.731 38.487 -0.071 0.000 1.136 205 N HN 0.778 nan 8.380 nan 0.000 0.572 206 R N -0.923 119.486 120.500 -0.151 0.000 2.598 206 R HA 0.439 4.778 4.340 -0.002 0.000 0.279 206 R C -0.473 175.596 176.300 -0.386 0.000 0.984 206 R CA -0.565 55.400 56.100 -0.225 0.000 0.999 206 R CB 0.695 30.825 30.300 -0.284 0.000 1.114 206 R HN 0.091 nan 8.270 nan 0.000 0.493 207 W N 1.376 122.473 121.300 -0.338 0.000 2.315 207 W HA 0.289 4.948 4.660 -0.001 0.000 0.316 207 W C -0.477 175.637 176.519 -0.675 0.000 1.211 207 W CA 0.016 57.147 57.345 -0.357 0.000 1.201 207 W CB 0.587 29.824 29.460 -0.371 0.000 1.184 207 W HN 0.396 nan 8.180 nan 0.000 0.544 208 Y N 1.099 121.403 120.300 0.006 0.000 2.409 208 Y HA 0.208 4.757 4.550 -0.002 0.000 0.343 208 Y C 0.045 175.937 175.900 -0.013 0.000 0.973 208 Y CA -1.391 56.683 58.100 -0.043 0.000 1.064 208 Y CB 1.938 40.378 38.460 -0.032 0.000 1.207 208 Y HN 0.319 nan 8.280 nan 0.000 0.452 209 Q N 3.530 123.399 119.800 0.115 0.000 2.406 209 Q HA 0.207 4.546 4.340 -0.002 0.000 0.242 209 Q C 0.025 176.166 176.000 0.234 0.000 1.036 209 Q CA -0.374 55.508 55.803 0.132 0.000 0.904 209 Q CB 0.556 29.326 28.738 0.052 0.000 1.244 209 Q HN 0.748 nan 8.270 nan 0.000 0.478 210 M N 1.805 121.587 119.600 0.302 0.000 2.334 210 M HA 0.267 4.746 4.480 -0.002 0.000 0.266 210 M C 0.836 177.352 176.300 0.360 0.000 1.082 210 M CA 0.725 56.189 55.300 0.273 0.000 1.141 210 M CB -0.309 32.391 32.600 0.167 0.000 1.380 210 M HN 0.575 nan 8.290 nan 0.000 0.440 211 G N 0.113 109.192 108.800 0.466 0.000 2.766 211 G HA2 0.729 4.688 3.960 -0.002 0.000 0.288 211 G HA3 0.729 4.688 3.960 -0.002 0.000 0.288 211 G C -1.425 173.686 174.900 0.352 0.000 1.408 211 G CA -0.678 44.640 45.100 0.363 0.000 0.852 211 G HN 0.134 nan 8.290 nan 0.000 0.487 212 I N 0.435 121.174 120.570 0.281 0.000 2.509 212 I HA 0.280 4.450 4.170 -0.002 0.000 0.293 212 I C -0.032 176.205 176.117 0.201 0.000 1.020 212 I CA -1.110 60.340 61.300 0.251 0.000 1.088 212 I CB 2.331 40.434 38.000 0.172 0.000 1.267 212 I HN 0.107 nan 8.210 nan 0.000 0.430 213 V N 4.940 124.959 119.914 0.176 0.000 2.475 213 V HA -0.058 4.062 4.120 -0.002 0.000 0.292 213 V C 0.919 176.977 176.094 -0.059 0.000 1.003 213 V CA 0.740 62.992 62.300 -0.081 0.000 1.120 213 V CB 0.613 32.461 31.823 0.040 0.000 0.937 213 V HN 0.970 nan 8.190 nan 0.000 0.476 214 S N 5.427 120.985 115.700 -0.237 0.000 2.583 214 S HA 0.329 4.798 4.470 -0.002 0.000 0.203 214 S C 0.181 174.870 174.600 0.148 0.000 0.952 214 S CA 0.078 58.306 58.200 0.047 0.000 0.887 214 S CB 0.398 63.621 63.200 0.040 0.000 0.857 214 S HN 0.876 nan 8.310 nan 0.000 0.611 215 W N -0.233 121.016 121.300 -0.085 0.000 3.000 215 W HA 0.660 5.319 4.660 -0.002 0.000 0.372 215 W C -0.532 175.994 176.519 0.011 0.000 1.190 215 W CA -0.557 56.744 57.345 -0.073 0.000 1.151 215 W CB 0.435 29.828 29.460 -0.112 0.000 1.498 215 W HN 0.599 nan 8.180 nan 0.000 0.592 216 G N 0.360 109.391 108.800 0.385 0.000 2.411 216 G HA2 0.380 4.339 3.960 -0.002 0.000 0.295 216 G HA3 0.380 4.339 3.960 -0.002 0.000 0.295 216 G C -1.981 173.112 174.900 0.321 0.000 1.542 216 G CA -0.904 44.340 45.100 0.239 0.000 0.814 216 G HN 0.501 nan 8.290 nan 0.000 0.557 220 c N 0.801 119.445 118.600 0.074 0.000 3.236 220 c HA 0.780 5.349 4.570 -0.002 0.000 0.208 220 c C 0.066 174.194 174.090 0.063 0.000 1.879 220 c CA -0.494 55.880 56.329 0.076 0.000 1.262 220 c CB -1.200 41.370 42.510 0.099 0.000 2.186 220 c HN 0.602 nan 8.230 nan 0.000 0.552 221 R N 0.467 120.967 120.500 -0.000 0.000 3.681 221 R HA 0.140 4.480 4.340 -0.002 0.000 0.252 221 R C -2.136 174.126 176.300 -0.063 0.000 1.000 221 R CA -0.629 55.462 56.100 -0.016 0.000 1.056 221 R CB 0.740 31.036 30.300 -0.007 0.000 1.243 221 R HN 0.213 nan 8.270 nan 0.000 0.549 222 D N 0.416 120.788 120.400 -0.046 0.000 2.382 222 D HA 0.246 4.885 4.640 -0.002 0.000 0.245 222 D C 1.318 177.554 176.300 -0.107 0.000 1.120 222 D CA 1.590 55.548 54.000 -0.069 0.000 0.890 222 D CB 1.093 41.878 40.800 -0.024 0.000 1.201 222 D HN 0.770 nan 8.370 nan 0.000 0.433 223 G N 1.202 109.896 108.800 -0.175 0.000 2.153 223 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.252 223 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.252 223 G C 0.239 174.981 174.900 -0.264 0.000 0.994 223 G CA 0.292 45.295 45.100 -0.161 0.000 0.698 223 G HN 0.394 nan 8.290 nan 0.000 0.521 224 K N -0.963 119.141 120.400 -0.494 0.000 2.435 224 K HA 0.740 5.059 4.320 -0.002 0.000 0.251 224 K C -0.857 175.263 176.600 -0.799 0.000 0.954 224 K CA -0.647 55.411 56.287 -0.382 0.000 0.820 224 K CB 1.958 34.392 32.500 -0.110 0.000 1.292 224 K HN 0.178 nan 8.250 nan 0.000 0.436 225 Y N -1.474 118.817 120.300 -0.016 0.000 2.638 225 Y HA 0.515 5.064 4.550 -0.001 0.000 0.339 225 Y C 0.748 176.493 175.900 -0.258 0.000 1.084 225 Y CA -1.205 56.806 58.100 -0.148 0.000 1.068 225 Y CB 1.722 40.021 38.460 -0.268 0.000 1.294 225 Y HN 0.667 nan 8.280 nan 0.000 0.480 226 G N 0.427 109.166 108.800 -0.102 0.000 2.400 226 G HA2 0.536 4.495 3.960 -0.002 0.000 0.301 226 G HA3 0.536 4.495 3.960 -0.002 0.000 0.301 226 G C -1.676 172.844 174.900 -0.634 0.000 1.154 226 G CA -0.313 44.629 45.100 -0.264 0.000 0.852 226 G HN 0.314 nan 8.290 nan 0.000 0.511 227 F N 0.512 119.940 119.950 -0.870 0.000 2.436 227 F HA 0.514 5.040 4.527 -0.002 0.000 0.340 227 F C -0.438 174.764 175.800 -0.997 0.000 1.113 227 F CA -0.352 57.080 58.000 -0.947 0.000 1.022 227 F CB 1.854 39.898 39.000 -1.594 0.000 1.128 227 F HN 0.296 nan 8.300 nan 0.000 0.466 228 Y N 0.311 120.244 120.300 -0.611 0.000 2.485 228 Y HA 0.390 4.940 4.550 -0.001 0.000 0.345 228 Y C 0.332 175.975 175.900 -0.429 0.000 0.998 228 Y CA -1.395 56.333 58.100 -0.620 0.000 1.059 228 Y CB 1.610 39.355 38.460 -1.191 0.000 1.234 228 Y HN 0.403 nan 8.280 nan 0.000 0.461 229 T N 2.810 117.349 114.554 -0.025 0.000 2.888 229 T HA -0.045 4.304 4.350 -0.002 0.000 0.301 229 T C -0.114 174.692 174.700 0.178 0.000 1.001 229 T CA -0.048 62.111 62.100 0.099 0.000 1.147 229 T CB -0.221 68.722 68.868 0.124 0.000 0.931 229 T HN 0.452 nan 8.240 nan 0.000 0.541 230 H N 4.657 123.847 119.070 0.198 0.000 3.205 230 H HA 0.123 4.678 4.556 -0.002 0.000 0.262 230 H C 1.119 176.603 175.328 0.261 0.000 1.333 230 H CA -0.414 55.834 56.048 0.334 0.000 1.499 230 H CB -0.128 29.820 29.762 0.309 0.000 1.609 230 H HN 0.391 nan 8.280 nan 0.000 0.498 231 V N 5.730 125.869 119.914 0.374 0.000 2.392 231 V HA -0.298 3.821 4.120 -0.002 0.000 0.249 231 V C 2.182 178.490 176.094 0.356 0.000 1.059 231 V CA 1.834 64.328 62.300 0.323 0.000 1.051 231 V CB -0.886 31.100 31.823 0.271 0.000 0.658 231 V HN 0.582 nan 8.190 nan 0.000 0.455 232 F N 1.299 121.478 119.950 0.382 0.000 2.134 232 F HA -0.167 4.359 4.527 -0.002 0.000 0.299 232 F C 2.589 178.515 175.800 0.211 0.000 1.097 232 F CA 1.705 59.881 58.000 0.293 0.000 1.264 232 F CB -0.190 38.970 39.000 0.266 0.000 1.001 232 F HN 0.033 nan 8.300 nan 0.000 0.479 233 R N 0.176 120.752 120.500 0.126 0.000 2.090 233 R HA -0.037 4.303 4.340 -0.002 0.000 0.228 233 R C 1.943 178.204 176.300 -0.065 0.000 1.110 233 R CA 1.386 57.427 56.100 -0.098 0.000 0.973 233 R CB -0.777 29.451 30.300 -0.120 0.000 0.869 233 R HN 0.356 nan 8.270 nan 0.000 0.440 234 L N 1.153 122.401 121.223 0.043 0.000 2.599 234 L HA 0.060 4.399 4.340 -0.002 0.000 0.230 234 L C 2.315 179.280 176.870 0.158 0.000 1.141 234 L CA 0.355 55.258 54.840 0.105 0.000 0.877 234 L CB -0.303 41.820 42.059 0.108 0.000 1.009 234 L HN 0.081 nan 8.230 nan 0.000 0.447 235 K N 0.743 121.138 120.400 -0.009 0.000 2.074 235 K HA -0.216 4.103 4.320 -0.002 0.000 0.209 235 K C 2.092 178.675 176.600 -0.028 0.000 1.048 235 K CA 1.315 57.568 56.287 -0.056 0.000 0.926 235 K CB 0.157 32.512 32.500 -0.242 0.000 0.713 235 K HN 0.045 nan 8.250 nan 0.000 0.444 236 K N -0.134 120.248 120.400 -0.031 0.000 2.103 236 K HA -0.207 4.112 4.320 -0.002 0.000 0.207 236 K C 1.752 178.386 176.600 0.056 0.000 1.048 236 K CA 1.534 57.822 56.287 0.000 0.000 0.930 236 K CB -0.534 31.974 32.500 0.014 0.000 0.716 236 K HN 0.452 nan 8.250 nan 0.000 0.444 237 W N 1.692 122.975 121.300 -0.028 0.000 2.381 237 W HA -0.087 4.572 4.660 -0.002 0.000 0.301 237 W C 1.731 178.198 176.519 -0.086 0.000 1.205 237 W CA 1.089 58.421 57.345 -0.021 0.000 1.285 237 W CB -0.287 29.235 29.460 0.104 0.000 1.133 237 W HN -0.076 nan 8.180 nan 0.000 0.521 238 I N 0.587 121.089 120.570 -0.113 0.000 2.163 238 I HA -0.385 3.785 4.170 -0.002 0.000 0.243 238 I C 2.675 178.497 176.117 -0.491 0.000 1.085 238 I CA 2.060 63.110 61.300 -0.417 0.000 1.347 238 I CB -0.984 36.927 38.000 -0.148 0.000 1.044 238 I HN 0.139 nan 8.210 nan 0.000 0.408 239 Q N 1.642 121.271 119.800 -0.285 0.000 2.045 239 Q HA -0.309 4.030 4.340 -0.002 0.000 0.206 239 Q C 2.312 178.137 176.000 -0.292 0.000 0.991 239 Q CA 2.287 57.943 55.803 -0.245 0.000 0.851 239 Q CB -0.156 28.506 28.738 -0.125 0.000 0.911 239 Q HN 0.354 nan 8.270 nan 0.000 0.418 240 K N -0.444 119.789 120.400 -0.279 0.000 2.097 240 K HA -0.137 4.182 4.320 -0.002 0.000 0.206 240 K C 1.855 178.214 176.600 -0.402 0.000 1.049 240 K CA 1.487 57.615 56.287 -0.266 0.000 0.933 240 K CB 0.039 32.430 32.500 -0.182 0.000 0.717 240 K HN 0.188 nan 8.250 nan 0.000 0.442 241 V N 1.657 121.164 119.914 -0.678 0.000 2.323 241 V HA -0.210 3.909 4.120 -0.002 0.000 0.244 241 V C 2.340 177.949 176.094 -0.807 0.000 1.041 241 V CA 1.496 63.288 62.300 -0.847 0.000 1.025 241 V CB -0.266 30.788 31.823 -1.280 0.000 0.656 241 V HN 0.311 nan 8.190 nan 0.000 0.451 242 I N -0.588 119.436 120.570 -0.909 0.000 2.286 242 I HA -0.189 3.980 4.170 -0.002 0.000 0.248 242 I C 1.096 176.966 176.117 -0.412 0.000 1.115 242 I CA 1.176 61.925 61.300 -0.919 0.000 1.392 242 I CB -0.341 37.057 38.000 -1.002 0.000 1.065 242 I HN 0.363 nan 8.210 nan 0.000 0.418 243 D N 1.362 121.569 120.400 -0.323 0.000 2.708 243 D HA -0.216 4.423 4.640 -0.002 0.000 0.236 243 D C 0.835 177.017 176.300 -0.197 0.000 1.146 243 D CA 0.567 54.458 54.000 -0.182 0.000 0.662 243 D CB -0.646 40.092 40.800 -0.102 0.000 1.059 243 D HN 0.528 nan 8.370 nan 0.000 0.428 244 Q N -1.435 118.147 119.800 -0.363 0.000 2.615 244 Q HA -0.124 4.216 4.340 -0.002 0.000 0.220 244 Q C 0.862 176.420 176.000 -0.737 0.000 0.981 244 Q CA 0.772 56.225 55.803 -0.583 0.000 0.939 244 Q CB 0.057 28.234 28.738 -0.935 0.000 0.982 244 Q HN 0.477 nan 8.270 nan 0.000 0.550 245 F N -2.135 117.802 119.950 -0.021 0.000 2.974 245 F HA 0.367 4.893 4.527 -0.001 0.000 0.357 245 F C 0.696 176.490 175.800 -0.009 0.000 1.114 245 F CA -0.136 57.857 58.000 -0.011 0.000 1.099 245 F CB 1.299 40.291 39.000 -0.014 0.000 1.205 245 F HN -0.073 nan 8.300 nan 0.000 0.535 246 G N 0.000 108.867 108.800 0.111 0.000 5.446 246 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 246 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 246 G CA 0.000 nan 45.100 nan 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925