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 1r5y_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMX DATA SEQUENCE LSXLTKQSEE GVTFXXXXXX XXXMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YF 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.312 176.300 0.019 0.000 0.893 11 R CA 0.000 56.103 56.100 0.004 0.000 0.921 11 R CB 0.000 30.300 30.300 0.001 0.000 0.687 12 P HA 0.152 nan 4.420 nan 0.000 0.276 12 P C -0.110 177.240 177.300 0.083 0.000 1.244 12 P CA -0.579 62.553 63.100 0.053 0.000 0.801 12 P CB 1.096 32.827 31.700 0.050 0.000 1.006 13 R N 0.660 121.231 120.500 0.118 0.000 2.096 13 R HA -0.115 4.278 4.340 0.088 0.000 0.240 13 R C -0.283 176.192 176.300 0.291 0.000 1.139 13 R CA 1.403 57.608 56.100 0.175 0.000 0.952 13 R CB -0.163 30.243 30.300 0.176 0.000 0.854 13 R HN 0.544 nan 8.270 nan 0.000 0.436 14 F N -0.606 119.399 119.950 0.091 0.000 2.670 14 F HA 0.283 4.863 4.527 0.088 0.000 0.332 14 F C -1.601 174.265 175.800 0.110 0.000 1.179 14 F CA -0.566 57.501 58.000 0.111 0.000 1.076 14 F CB 1.984 41.066 39.000 0.136 0.000 1.322 14 F HN -0.144 nan 8.300 nan 0.000 0.515 15 S N 6.736 122.248 115.700 -0.313 0.000 2.776 15 S HA 0.495 5.018 4.470 0.088 0.000 0.284 15 S C -1.824 172.620 174.600 -0.261 0.000 1.160 15 S CA -0.359 57.736 58.200 -0.175 0.000 1.051 15 S CB 0.395 63.557 63.200 -0.063 0.000 1.037 15 S HN 0.528 nan 8.310 nan 0.000 0.485 16 F N 4.866 124.604 119.950 -0.354 0.000 2.405 16 F HA 0.711 5.291 4.527 0.088 0.000 0.355 16 F C 0.010 175.743 175.800 -0.112 0.000 1.121 16 F CA -0.457 57.398 58.000 -0.243 0.000 1.112 16 F CB 1.359 40.282 39.000 -0.129 0.000 1.126 16 F HN 0.461 nan 8.300 nan 0.000 0.481 17 S N 6.756 122.143 115.700 -0.521 0.000 2.500 17 S HA 0.685 5.208 4.470 0.088 0.000 0.301 17 S C -0.764 173.414 174.600 -0.704 0.000 1.092 17 S CA -0.684 57.206 58.200 -0.515 0.000 1.030 17 S CB 0.711 63.761 63.200 -0.251 0.000 1.031 17 S HN 0.544 nan 8.310 nan 0.000 0.483 18 I N 4.418 124.631 120.570 -0.596 0.000 2.312 18 I HA 0.381 4.604 4.170 0.088 0.000 0.290 18 I C 1.015 176.990 176.117 -0.236 0.000 1.008 18 I CA -0.486 60.553 61.300 -0.435 0.000 1.226 18 I CB 1.578 39.359 38.000 -0.366 0.000 1.371 18 I HN 0.835 nan 8.210 nan 0.000 0.468 19 A N 5.306 128.019 122.820 -0.177 0.000 1.997 19 A HA 0.667 5.041 4.320 0.088 0.000 0.212 19 A C 0.921 178.453 177.584 -0.087 0.000 1.178 19 A CA 0.743 52.710 52.037 -0.117 0.000 0.698 19 A CB 0.216 19.157 19.000 -0.099 0.000 0.842 19 A HN 0.742 nan 8.150 nan 0.000 0.458 20 A N -0.845 121.925 122.820 -0.084 0.000 2.604 20 A HA 0.724 5.097 4.320 0.088 0.000 0.295 20 A C -0.793 176.760 177.584 -0.051 0.000 1.067 20 A CA -0.751 51.252 52.037 -0.058 0.000 0.683 20 A CB 1.054 20.024 19.000 -0.050 0.000 1.281 20 A HN 0.283 nan 8.150 nan 0.000 0.407 21 R N 0.288 120.772 120.500 -0.027 0.000 2.771 21 R HA 0.741 5.134 4.340 0.088 0.000 0.274 21 R C -1.279 175.034 176.300 0.022 0.000 0.987 21 R CA -0.714 55.382 56.100 -0.007 0.000 0.908 21 R CB 2.611 32.910 30.300 -0.002 0.000 1.213 21 R HN 0.790 nan 8.270 nan 0.000 0.468 22 E N 0.969 121.200 120.200 0.051 0.000 2.334 22 E HA 0.316 4.719 4.350 0.088 0.000 0.280 22 E C -0.061 176.608 176.600 0.115 0.000 0.899 22 E CA 0.137 56.592 56.400 0.093 0.000 0.813 22 E CB 1.145 30.930 29.700 0.142 0.000 1.318 22 E HN 0.791 nan 8.360 nan 0.000 0.399 23 G N 4.646 113.496 108.800 0.084 0.000 2.556 23 G HA2 -0.390 3.624 3.960 0.088 0.000 0.283 23 G HA3 -0.390 3.624 3.960 0.088 0.000 0.283 23 G C 0.576 175.522 174.900 0.077 0.000 1.177 23 G CA 0.472 45.620 45.100 0.080 0.000 0.978 23 G HN 0.573 nan 8.290 nan 0.000 0.554 24 K N 1.373 121.826 120.400 0.087 0.000 2.426 24 K HA 0.497 4.871 4.320 0.088 0.000 0.193 24 K C 1.353 178.010 176.600 0.095 0.000 1.028 24 K CA 0.543 56.881 56.287 0.085 0.000 1.047 24 K CB 0.239 32.784 32.500 0.075 0.000 0.821 24 K HN 0.770 nan 8.250 nan 0.000 0.513 25 A N 1.786 124.669 122.820 0.105 0.000 2.351 25 A HA 0.436 4.809 4.320 0.088 0.000 0.257 25 A C -0.331 177.252 177.584 -0.001 0.000 1.087 25 A CA -0.233 51.829 52.037 0.042 0.000 0.798 25 A CB 0.372 19.374 19.000 0.003 0.000 1.033 25 A HN 0.154 nan 8.150 nan 0.000 0.488 26 R N -0.301 120.180 120.500 -0.031 0.000 2.771 26 R HA 0.748 5.142 4.340 0.088 0.000 0.274 26 R C -0.727 175.540 176.300 -0.055 0.000 0.987 26 R CA -0.416 55.668 56.100 -0.027 0.000 0.908 26 R CB 2.122 32.437 30.300 0.025 0.000 1.213 26 R HN 0.685 nan 8.270 nan 0.000 0.468 27 T N -0.201 114.314 114.554 -0.066 0.000 2.912 27 T HA 0.824 5.227 4.350 0.088 0.000 0.299 27 T C -0.620 174.038 174.700 -0.071 0.000 1.052 27 T CA 0.066 62.129 62.100 -0.061 0.000 0.996 27 T CB 1.479 70.290 68.868 -0.095 0.000 1.070 27 T HN 0.763 nan 8.240 nan 0.000 0.465 28 G N 1.791 110.568 108.800 -0.037 0.000 2.474 28 G HA2 0.594 4.607 3.960 0.088 0.000 0.234 28 G HA3 0.594 4.607 3.960 0.088 0.000 0.234 28 G C -0.917 173.978 174.900 -0.007 0.000 1.204 28 G CA 0.081 45.130 45.100 -0.086 0.000 0.939 28 G HN 1.181 nan 8.290 nan 0.000 0.491 29 T N -1.537 113.006 114.554 -0.019 0.000 2.933 29 T HA 0.697 5.100 4.350 0.088 0.000 0.305 29 T C -0.963 173.802 174.700 0.107 0.000 1.092 29 T CA -0.522 61.598 62.100 0.033 0.000 1.008 29 T CB 1.815 70.668 68.868 -0.026 0.000 1.102 29 T HN 0.634 nan 8.240 nan 0.000 0.469 30 I N 2.091 122.709 120.570 0.079 0.000 2.330 30 I HA 0.342 4.565 4.170 0.088 0.000 0.289 30 I C 0.126 176.185 176.117 -0.097 0.000 1.001 30 I CA -0.709 60.559 61.300 -0.055 0.000 1.193 30 I CB 1.359 39.298 38.000 -0.101 0.000 1.345 30 I HN 0.652 nan 8.210 nan 0.000 0.461 31 E N 7.554 127.670 120.200 -0.141 0.000 2.200 31 E HA 0.580 4.983 4.350 0.088 0.000 0.283 31 E C -0.664 175.894 176.600 -0.070 0.000 1.015 31 E CA -0.324 56.027 56.400 -0.081 0.000 0.819 31 E CB 1.614 31.277 29.700 -0.062 0.000 1.081 31 E HN 0.491 nan 8.360 nan 0.000 0.397 32 M N 1.486 121.083 119.600 -0.005 0.000 2.719 32 M HA 0.308 4.841 4.480 0.088 0.000 0.291 32 M C 0.738 177.061 176.300 0.038 0.000 1.264 32 M CA -0.859 54.474 55.300 0.054 0.000 0.811 32 M CB 1.558 34.219 32.600 0.102 0.000 1.756 32 M HN 0.243 nan 8.290 nan 0.000 0.464 33 K N 0.205 120.635 120.400 0.050 0.000 2.097 33 K HA -0.045 4.328 4.320 0.088 0.000 0.206 33 K C 1.467 178.059 176.600 -0.014 0.000 1.049 33 K CA 1.448 57.745 56.287 0.016 0.000 0.933 33 K CB 0.050 32.560 32.500 0.016 0.000 0.717 33 K HN 0.410 nan 8.250 nan 0.000 0.442 34 R N -0.103 120.387 120.500 -0.016 0.000 2.310 34 R HA 0.106 4.499 4.340 0.088 0.000 0.202 34 R C 0.313 176.589 176.300 -0.040 0.000 0.933 34 R CA 0.202 56.271 56.100 -0.051 0.000 1.054 34 R CB 0.843 31.098 30.300 -0.074 0.000 0.985 34 R HN 0.224 nan 8.270 nan 0.000 0.489 35 G N -0.562 108.228 108.800 -0.016 0.000 2.368 35 G HA2 0.011 4.024 3.960 0.088 0.000 0.302 35 G HA3 0.011 4.024 3.960 0.088 0.000 0.302 35 G C -1.549 173.350 174.900 -0.001 0.000 1.329 35 G CA -1.046 44.042 45.100 -0.020 0.000 0.935 35 G HN -0.090 nan 8.290 nan 0.000 0.590 36 V N 0.431 120.342 119.914 -0.005 0.000 2.472 36 V HA 0.620 4.793 4.120 0.088 0.000 0.290 36 V C 0.298 176.404 176.094 0.019 0.000 1.037 36 V CA -0.487 61.812 62.300 -0.002 0.000 0.908 36 V CB 1.396 33.213 31.823 -0.011 0.000 0.985 36 V HN 0.599 nan 8.190 nan 0.000 0.454 37 I N 4.931 125.515 120.570 0.023 0.000 2.355 37 I HA 0.458 4.681 4.170 0.088 0.000 0.288 37 I C 0.351 176.494 176.117 0.044 0.000 0.999 37 I CA -0.418 60.907 61.300 0.041 0.000 1.163 37 I CB 1.164 39.186 38.000 0.038 0.000 1.316 37 I HN 0.497 nan 8.210 nan 0.000 0.454 38 R N 3.918 124.446 120.500 0.045 0.000 2.340 38 R HA 0.415 4.808 4.340 0.088 0.000 0.300 38 R C -0.032 176.304 176.300 0.059 0.000 1.069 38 R CA -0.263 55.861 56.100 0.041 0.000 0.984 38 R CB 0.970 31.285 30.300 0.026 0.000 1.003 38 R HN 0.662 nan 8.270 nan 0.000 0.459 39 T N 0.517 115.114 114.554 0.071 0.000 2.887 39 T HA 0.468 4.871 4.350 0.088 0.000 0.288 39 T C -2.651 172.079 174.700 0.050 0.000 1.021 39 T CA -2.845 59.309 62.100 0.090 0.000 1.000 39 T CB 2.198 71.162 68.868 0.159 0.000 1.034 39 T HN 0.193 nan 8.240 nan 0.000 0.467 40 P HA 0.423 nan 4.420 nan 0.000 0.268 40 P C -1.022 176.373 177.300 0.158 0.000 1.204 40 P CA -0.189 62.987 63.100 0.126 0.000 0.768 40 P CB 0.403 32.203 31.700 0.166 0.000 0.842 41 A N 3.426 126.371 122.820 0.208 0.000 2.350 41 A HA 0.671 5.044 4.320 0.088 0.000 0.324 41 A C -1.395 176.383 177.584 0.323 0.000 1.118 41 A CA -0.496 51.653 52.037 0.188 0.000 0.783 41 A CB 0.492 19.540 19.000 0.081 0.000 1.236 41 A HN 0.472 nan 8.150 nan 0.000 0.457 42 F N 2.397 122.440 119.950 0.155 0.000 2.444 42 F HA 0.668 5.246 4.527 0.084 0.000 0.342 42 F C -0.245 175.602 175.800 0.078 0.000 1.121 42 F CA -0.844 57.255 58.000 0.166 0.000 0.997 42 F CB 1.524 40.621 39.000 0.161 0.000 1.130 42 F HN 0.484 nan 8.300 nan 0.000 0.454 43 M N 8.475 127.571 119.600 -0.840 0.000 2.066 43 M HA 0.340 4.873 4.480 0.088 0.000 0.340 43 M C -2.454 173.360 176.300 -0.810 0.000 1.053 43 M CA -1.852 53.076 55.300 -0.620 0.000 0.983 43 M CB 1.222 33.548 32.600 -0.457 0.000 1.520 43 M HN 0.320 nan 8.290 nan 0.000 0.428 44 P HA 0.048 nan 4.420 nan 0.000 0.267 44 P C -0.733 176.408 177.300 -0.265 0.000 1.200 44 P CA -0.223 62.743 63.100 -0.223 0.000 0.772 44 P CB 0.527 32.157 31.700 -0.117 0.000 0.855 45 V N 2.888 122.698 119.914 -0.174 0.000 2.407 45 V HA 0.527 4.700 4.120 0.088 0.000 0.278 45 V C 1.084 177.101 176.094 -0.128 0.000 1.037 45 V CA 0.008 62.220 62.300 -0.147 0.000 0.900 45 V CB 1.139 32.911 31.823 -0.085 0.000 0.983 45 V HN 0.747 nan 8.190 nan 0.000 0.459 46 G N 2.387 111.101 108.800 -0.142 0.000 3.986 46 G HA2 0.336 4.349 3.960 0.088 0.000 0.343 46 G HA3 0.336 4.349 3.960 0.088 0.000 0.343 46 G C 0.656 175.518 174.900 -0.065 0.000 1.413 46 G CA -0.065 44.964 45.100 -0.118 0.000 1.143 46 G HN 0.662 nan 8.290 nan 0.000 0.488 47 T N 1.715 116.251 114.554 -0.030 0.000 2.595 47 T HA -0.122 4.281 4.350 0.088 0.000 0.264 47 T C 2.012 176.724 174.700 0.021 0.000 1.058 47 T CA 1.842 63.948 62.100 0.009 0.000 1.166 47 T CB 0.063 68.946 68.868 0.024 0.000 0.863 47 T HN 0.564 nan 8.240 nan 0.000 0.415 48 A N 0.140 122.971 122.820 0.019 0.000 3.282 48 A HA 0.721 5.094 4.320 0.088 0.000 0.287 48 A C 1.035 178.648 177.584 0.048 0.000 1.366 48 A CA 0.336 52.395 52.037 0.037 0.000 1.069 48 A CB -1.035 17.986 19.000 0.035 0.000 1.109 48 A HN 1.028 nan 8.150 nan 0.000 0.638 49 A N -0.764 122.080 122.820 0.042 0.000 2.925 49 A HA -0.076 4.297 4.320 0.088 0.000 0.265 49 A C 0.590 178.168 177.584 -0.010 0.000 1.419 49 A CA 1.381 53.453 52.037 0.058 0.000 0.807 49 A CB -2.232 16.899 19.000 0.218 0.000 1.043 49 A HN 2.112 nan 8.150 nan 0.000 0.600 50 T N -1.448 113.085 114.554 -0.036 0.000 3.159 50 T HA 0.488 4.891 4.350 0.088 0.000 0.343 50 T C -0.597 174.062 174.700 -0.069 0.000 1.364 50 T CA 0.273 62.340 62.100 -0.055 0.000 1.102 50 T CB 1.352 70.193 68.868 -0.044 0.000 1.263 50 T HN 1.209 nan 8.240 nan 0.000 0.477 51 V N 6.180 126.040 119.914 -0.090 0.000 2.415 51 V HA 0.282 4.455 4.120 0.088 0.000 0.267 51 V C 0.871 176.936 176.094 -0.048 0.000 1.042 51 V CA -0.369 61.879 62.300 -0.087 0.000 1.000 51 V CB 0.191 31.941 31.823 -0.122 0.000 1.015 51 V HN 0.787 nan 8.190 nan 0.000 0.478 52 K N 4.336 124.715 120.400 -0.036 0.000 2.472 52 K HA 0.273 4.646 4.320 0.088 0.000 0.280 52 K C 1.113 177.701 176.600 -0.020 0.000 1.028 52 K CA 0.782 57.055 56.287 -0.024 0.000 1.045 52 K CB 0.250 32.739 32.500 -0.018 0.000 0.902 52 K HN 1.061 nan 8.250 nan 0.000 0.478 53 A N 2.430 125.239 122.820 -0.019 0.000 3.021 53 A HA -0.186 4.187 4.320 0.088 0.000 0.257 53 A C -0.212 177.368 177.584 -0.006 0.000 1.277 53 A CA 0.746 52.773 52.037 -0.018 0.000 1.012 53 A CB -2.061 16.925 19.000 -0.023 0.000 1.147 53 A HN 0.567 nan 8.150 nan 0.000 0.861 54 L N -0.535 120.687 121.223 -0.001 0.000 2.410 54 L HA 0.437 4.830 4.340 0.088 0.000 0.270 54 L C 0.400 177.284 176.870 0.023 0.000 0.983 54 L CA -0.905 53.946 54.840 0.018 0.000 0.822 54 L CB 1.874 43.948 42.059 0.024 0.000 1.285 54 L HN 0.247 nan 8.230 nan 0.000 0.409 55 K N 2.985 123.410 120.400 0.041 0.000 2.414 55 K HA 0.094 4.467 4.320 0.088 0.000 0.272 55 K C -1.509 175.150 176.600 0.098 0.000 0.993 55 K CA -1.334 54.987 56.287 0.056 0.000 0.964 55 K CB 0.729 33.265 32.500 0.059 0.000 0.925 55 K HN 0.289 nan 8.250 nan 0.000 0.487 56 P HA -0.252 nan 4.420 nan 0.000 0.218 56 P C 0.816 178.290 177.300 0.290 0.000 1.148 56 P CA 1.468 64.735 63.100 0.279 0.000 0.822 56 P CB 0.035 31.945 31.700 0.350 0.000 0.784 57 E N -0.635 119.668 120.200 0.170 0.000 2.150 57 E HA -0.121 4.282 4.350 0.088 0.000 0.193 57 E C 1.327 178.010 176.600 0.138 0.000 0.985 57 E CA 1.397 57.875 56.400 0.129 0.000 0.814 57 E CB -1.407 28.340 29.700 0.079 0.000 0.752 57 E HN 0.151 nan 8.360 nan 0.000 0.466 58 T N 1.257 115.891 114.554 0.133 0.000 2.812 58 T HA -0.059 4.344 4.350 0.088 0.000 0.264 58 T C 2.118 176.906 174.700 0.146 0.000 1.042 58 T CA 1.159 63.334 62.100 0.126 0.000 1.140 58 T CB -0.170 68.760 68.868 0.103 0.000 0.870 58 T HN 0.032 nan 8.240 nan 0.000 0.445 59 V N 1.925 121.940 119.914 0.169 0.000 2.332 59 V HA -0.181 3.992 4.120 0.088 0.000 0.248 59 V C 2.658 178.916 176.094 0.275 0.000 1.055 59 V CA 1.733 64.138 62.300 0.174 0.000 1.038 59 V CB -0.596 31.283 31.823 0.092 0.000 0.651 59 V HN 0.267 nan 8.190 nan 0.000 0.450 60 R N 1.267 121.988 120.500 0.369 0.000 2.075 60 R HA -0.033 4.360 4.340 0.088 0.000 0.232 60 R C 2.116 178.517 176.300 0.168 0.000 1.126 60 R CA 1.836 58.110 56.100 0.290 0.000 0.963 60 R CB -1.008 29.376 30.300 0.140 0.000 0.858 60 R HN 0.420 nan 8.270 nan 0.000 0.435 61 A N -0.338 122.567 122.820 0.141 0.000 2.019 61 A HA -0.141 4.232 4.320 0.088 0.000 0.219 61 A C 2.070 179.724 177.584 0.116 0.000 1.164 61 A CA 1.920 54.023 52.037 0.110 0.000 0.644 61 A CB -1.130 17.932 19.000 0.104 0.000 0.805 61 A HN 0.642 nan 8.150 nan 0.000 0.449 62 T N -4.496 110.138 114.554 0.132 0.000 3.035 62 T HA 0.327 4.730 4.350 0.088 0.000 0.268 62 T C 1.428 176.200 174.700 0.121 0.000 1.109 62 T CA 1.391 63.567 62.100 0.127 0.000 1.119 62 T CB -0.052 68.892 68.868 0.126 0.000 0.900 62 T HN 1.636 nan 8.240 nan 0.000 0.503 63 G N 0.674 109.551 108.800 0.128 0.000 2.192 63 G HA2 0.094 4.107 3.960 0.088 0.000 0.193 63 G HA3 0.094 4.107 3.960 0.088 0.000 0.193 63 G C 0.259 175.248 174.900 0.149 0.000 0.999 63 G CA -0.176 44.994 45.100 0.116 0.000 0.659 63 G HN 1.089 nan 8.290 nan 0.000 0.503 64 A N 0.403 123.341 122.820 0.197 0.000 2.511 64 A HA 0.527 4.900 4.320 0.088 0.000 0.242 64 A C 1.010 178.780 177.584 0.309 0.000 1.069 64 A CA 1.009 53.184 52.037 0.230 0.000 0.763 64 A CB 0.295 19.416 19.000 0.201 0.000 1.001 64 A HN 0.169 nan 8.150 nan 0.000 0.498 65 D N 0.455 121.005 120.400 0.249 0.000 2.392 65 D HA 0.222 4.915 4.640 0.088 0.000 0.206 65 D C 0.156 176.669 176.300 0.356 0.000 1.046 65 D CA 0.823 54.965 54.000 0.237 0.000 0.865 65 D CB 0.479 41.355 40.800 0.126 0.000 0.969 65 D HN 0.561 nan 8.370 nan 0.000 0.509 66 I N 0.593 121.359 120.570 0.328 0.000 2.842 66 I HA 0.275 4.498 4.170 0.088 0.000 0.297 66 I C -1.744 174.326 176.117 -0.078 0.000 1.380 66 I CA -0.934 60.500 61.300 0.224 0.000 1.018 66 I CB 2.171 40.214 38.000 0.072 0.000 1.311 66 I HN -0.222 nan 8.210 nan 0.000 0.439 67 I N 4.062 124.459 120.570 -0.288 0.000 2.957 67 I HA 0.581 4.804 4.170 0.088 0.000 0.310 67 I C -1.763 174.156 176.117 -0.331 0.000 1.063 67 I CA -0.992 60.025 61.300 -0.471 0.000 1.033 67 I CB 2.091 39.588 38.000 -0.838 0.000 1.230 67 I HN 0.616 nan 8.210 nan 0.000 0.447 68 L N 2.747 123.791 121.223 -0.299 0.000 2.272 68 L HA 0.728 5.121 4.340 0.088 0.000 0.289 68 L C 0.056 176.822 176.870 -0.174 0.000 1.032 68 L CA -0.199 54.513 54.840 -0.213 0.000 0.810 68 L CB 1.154 43.105 42.059 -0.181 0.000 1.205 68 L HN 0.898 nan 8.230 nan 0.000 0.422 69 G N 3.552 112.273 108.800 -0.132 0.000 2.329 69 G HA2 0.261 4.274 3.960 0.088 0.000 0.309 69 G HA3 0.261 4.274 3.960 0.088 0.000 0.309 69 G C -0.708 174.171 174.900 -0.035 0.000 1.110 69 G CA -0.592 44.453 45.100 -0.092 0.000 0.923 69 G HN 0.816 nan 8.290 nan 0.000 0.430 70 N N 2.223 120.918 118.700 -0.009 0.000 2.452 70 N HA 0.160 4.954 4.740 0.088 0.000 0.266 70 N C 1.226 176.776 175.510 0.066 0.000 1.175 70 N CA -0.192 52.885 53.050 0.045 0.000 0.945 70 N CB 1.422 39.953 38.487 0.073 0.000 1.063 70 N HN 0.381 nan 8.380 nan 0.000 0.472 71 T N 0.875 115.487 114.554 0.095 0.000 2.814 71 T HA -0.162 4.241 4.350 0.088 0.000 0.254 71 T C 1.572 176.351 174.700 0.133 0.000 1.037 71 T CA 0.649 62.808 62.100 0.099 0.000 1.143 71 T CB -0.479 68.460 68.868 0.118 0.000 0.866 71 T HN 0.597 nan 8.240 nan 0.000 0.431 72 Y N 1.822 122.169 120.300 0.079 0.000 2.173 72 Y HA -0.331 4.272 4.550 0.088 0.000 0.282 72 Y C 2.606 178.567 175.900 0.101 0.000 1.192 72 Y CA 2.101 60.258 58.100 0.096 0.000 1.176 72 Y CB -0.977 37.518 38.460 0.057 0.000 0.969 72 Y HN 0.320 nan 8.280 nan 0.000 0.519 73 H N -0.943 118.136 119.070 0.015 0.000 2.307 73 H HA -0.046 4.563 4.556 0.088 0.000 0.303 73 H C 2.409 177.705 175.328 -0.053 0.000 1.073 73 H CA 1.420 57.441 56.048 -0.045 0.000 1.338 73 H CB -0.670 29.131 29.762 0.066 0.000 1.389 73 H HN 0.420 nan 8.280 nan 0.000 0.503 74 L N 0.543 121.761 121.223 -0.008 0.000 2.141 74 L HA -0.166 4.228 4.340 0.088 0.000 0.209 74 L C 2.795 179.639 176.870 -0.044 0.000 1.094 74 L CA 1.808 56.639 54.840 -0.016 0.000 0.763 74 L CB -0.561 41.495 42.059 -0.005 0.000 0.908 74 L HN 0.467 nan 8.230 nan 0.000 0.437 75 M N -1.530 118.045 119.600 -0.041 0.000 2.374 75 M HA -0.129 4.404 4.480 0.088 0.000 0.264 75 M C 1.885 178.139 176.300 -0.077 0.000 1.067 75 M CA 1.762 57.033 55.300 -0.048 0.000 1.103 75 M CB -0.294 32.303 32.600 -0.006 0.000 1.402 75 M HN 0.158 nan 8.290 nan 0.000 0.444 76 L N -0.139 121.020 121.223 -0.106 0.000 2.168 76 L HA 0.098 4.491 4.340 0.088 0.000 0.203 76 L C 1.200 178.027 176.870 -0.072 0.000 1.078 76 L CA 0.351 55.125 54.840 -0.110 0.000 0.780 76 L CB 0.160 42.123 42.059 -0.161 0.000 0.939 76 L HN 0.325 nan 8.230 nan 0.000 0.451 77 R N -0.118 120.349 120.500 -0.056 0.000 2.518 77 R HA 0.254 4.647 4.340 0.088 0.000 0.287 77 R C -2.593 173.708 176.300 0.001 0.000 1.135 77 R CA -0.905 55.181 56.100 -0.023 0.000 0.967 77 R CB 1.040 31.336 30.300 -0.007 0.000 1.212 77 R HN -0.120 nan 8.270 nan 0.000 0.422 78 P HA 0.285 nan 4.420 nan 0.000 0.255 78 P C 0.343 177.595 177.300 -0.080 0.000 1.248 78 P CA 1.079 64.160 63.100 -0.032 0.000 0.807 78 P CB 0.416 32.090 31.700 -0.043 0.000 1.150 79 G N -0.220 108.525 108.800 -0.092 0.000 2.885 79 G HA2 0.100 4.113 3.960 0.088 0.000 0.685 79 G HA3 0.100 4.113 3.960 0.088 0.000 0.685 79 G C 0.624 175.452 174.900 -0.120 0.000 1.216 79 G CA -0.417 44.625 45.100 -0.097 0.000 0.790 79 G HN 0.161 nan 8.290 nan 0.000 0.631 80 A N 1.215 123.978 122.820 -0.095 0.000 1.873 80 A HA 0.160 4.533 4.320 0.088 0.000 0.215 80 A C 2.075 179.595 177.584 -0.108 0.000 1.186 80 A CA 2.372 54.352 52.037 -0.095 0.000 0.616 80 A CB -0.374 18.589 19.000 -0.061 0.000 0.823 80 A HN 0.878 nan 8.150 nan 0.000 0.442 81 E N -0.486 119.660 120.200 -0.090 0.000 2.110 81 E HA -0.174 4.230 4.350 0.088 0.000 0.193 81 E C 2.150 178.687 176.600 -0.105 0.000 0.988 81 E CA 1.395 57.744 56.400 -0.085 0.000 0.804 81 E CB -0.220 29.440 29.700 -0.066 0.000 0.745 81 E HN 0.621 nan 8.360 nan 0.000 0.458 82 R N 0.409 120.835 120.500 -0.123 0.000 2.073 82 R HA -0.104 4.289 4.340 0.088 0.000 0.234 82 R C 2.203 178.370 176.300 -0.222 0.000 1.134 82 R CA 1.435 57.446 56.100 -0.147 0.000 0.952 82 R CB -0.347 29.866 30.300 -0.146 0.000 0.850 82 R HN 0.170 nan 8.270 nan 0.000 0.433 83 I N 0.873 121.265 120.570 -0.298 0.000 2.208 83 I HA -0.276 3.947 4.170 0.088 0.000 0.245 83 I C 2.549 178.529 176.117 -0.227 0.000 1.097 83 I CA 1.337 62.398 61.300 -0.398 0.000 1.363 83 I CB -0.378 37.383 38.000 -0.399 0.000 1.051 83 I HN 0.366 nan 8.210 nan 0.000 0.413 84 A N 0.651 123.373 122.820 -0.163 0.000 1.902 84 A HA -0.284 4.089 4.320 0.088 0.000 0.217 84 A C 2.358 179.886 177.584 -0.093 0.000 1.181 84 A CA 2.052 54.015 52.037 -0.123 0.000 0.623 84 A CB -0.555 18.371 19.000 -0.123 0.000 0.818 84 A HN 0.373 nan 8.150 nan 0.000 0.443 85 K N -0.313 120.033 120.400 -0.091 0.000 2.152 85 K HA -0.028 4.345 4.320 0.088 0.000 0.206 85 K C 1.386 177.958 176.600 -0.047 0.000 1.048 85 K CA 1.265 57.515 56.287 -0.061 0.000 0.933 85 K CB -0.283 32.181 32.500 -0.059 0.000 0.721 85 K HN 0.485 nan 8.250 nan 0.000 0.447 86 L N -0.618 120.564 121.223 -0.068 0.000 2.599 86 L HA 0.150 4.543 4.340 0.088 0.000 0.230 86 L C 1.047 177.928 176.870 0.018 0.000 1.141 86 L CA 0.486 55.315 54.840 -0.018 0.000 0.877 86 L CB 0.290 42.330 42.059 -0.032 0.000 1.009 86 L HN 0.611 nan 8.230 nan 0.000 0.447 87 G N -0.768 108.027 108.800 -0.008 0.000 2.184 87 G HA2 -0.005 4.008 3.960 0.088 0.000 0.206 87 G HA3 -0.005 4.008 3.960 0.088 0.000 0.206 87 G C 0.514 175.430 174.900 0.027 0.000 0.995 87 G CA -0.283 44.826 45.100 0.016 0.000 0.651 87 G HN 0.792 nan 8.290 nan 0.000 0.511 88 G N -1.662 107.138 108.800 0.001 0.000 2.662 88 G HA2 0.199 4.213 3.960 0.088 0.000 0.686 88 G HA3 0.199 4.213 3.960 0.088 0.000 0.686 88 G C 0.446 175.402 174.900 0.094 0.000 1.271 88 G CA 0.008 45.124 45.100 0.026 0.000 0.816 88 G HN 1.538 nan 8.290 nan 0.000 0.608 89 L N 0.454 121.724 121.223 0.079 0.000 2.083 89 L HA 0.062 4.455 4.340 0.088 0.000 0.209 89 L C 2.501 179.465 176.870 0.156 0.000 1.083 89 L CA 3.103 58.005 54.840 0.104 0.000 0.752 89 L CB -0.907 41.147 42.059 -0.009 0.000 0.899 89 L HN 0.759 nan 8.230 nan 0.000 0.433 90 H N -1.587 117.572 119.070 0.148 0.000 2.290 90 H HA -0.151 4.457 4.556 0.087 0.000 0.298 90 H C 2.558 177.977 175.328 0.151 0.000 1.087 90 H CA 2.044 58.193 56.048 0.168 0.000 1.291 90 H CB -0.563 29.271 29.762 0.120 0.000 1.369 90 H HN 0.417 nan 8.280 nan 0.000 0.492 91 S N -0.378 115.478 115.700 0.260 0.000 2.368 91 S HA -0.201 4.323 4.470 0.088 0.000 0.225 91 S C 2.046 176.768 174.600 0.203 0.000 1.030 91 S CA 1.168 59.478 58.200 0.183 0.000 0.999 91 S CB -0.509 62.776 63.200 0.141 0.000 0.844 91 S HN 0.362 nan 8.310 nan 0.000 0.459 92 F N 2.987 122.973 119.950 0.059 0.000 2.095 92 F HA -0.054 4.531 4.527 0.096 0.000 0.298 92 F C 2.144 177.969 175.800 0.042 0.000 1.104 92 F CA 2.165 60.187 58.000 0.037 0.000 1.232 92 F CB -0.482 38.530 39.000 0.020 0.000 0.987 92 F HN 0.407 nan 8.300 nan 0.000 0.475 93 M N -1.681 117.964 119.600 0.074 0.000 2.441 93 M HA 0.423 4.956 4.480 0.088 0.000 0.244 93 M C 1.292 177.620 176.300 0.047 0.000 1.122 93 M CA 0.945 56.222 55.300 -0.039 0.000 1.041 93 M CB 0.166 32.776 32.600 0.017 0.000 1.438 93 M HN 0.195 nan 8.290 nan 0.000 0.484 94 G N 1.481 110.345 108.800 0.108 0.000 2.182 94 G HA2 -0.241 3.772 3.960 0.088 0.000 0.248 94 G HA3 -0.241 3.772 3.960 0.088 0.000 0.248 94 G C -0.765 174.258 174.900 0.205 0.000 1.042 94 G CA 0.173 45.343 45.100 0.118 0.000 0.775 94 G HN 0.756 nan 8.290 nan 0.000 0.501 95 W N 1.729 123.058 121.300 0.049 0.000 2.411 95 W HA 0.508 5.211 4.660 0.071 0.000 0.317 95 W C 0.110 176.730 176.519 0.169 0.000 1.030 95 W CA -0.118 57.266 57.345 0.066 0.000 1.239 95 W CB 1.314 30.784 29.460 0.017 0.000 1.304 95 W HN 0.267 nan 8.180 nan 0.000 0.437 96 D N 3.496 123.726 120.400 -0.284 0.000 2.369 96 D HA 0.087 4.780 4.640 0.088 0.000 0.211 96 D C 0.447 176.604 176.300 -0.239 0.000 1.077 96 D CA 0.136 54.047 54.000 -0.147 0.000 0.842 96 D CB 0.375 41.082 40.800 -0.155 0.000 0.947 96 D HN 0.200 nan 8.370 nan 0.000 0.509 97 R N 0.136 120.288 120.500 -0.580 0.000 2.527 97 R HA 0.493 4.886 4.340 0.088 0.000 0.243 97 R C -2.418 174.052 176.300 0.284 0.000 1.206 97 R CA -1.982 53.954 56.100 -0.273 0.000 1.134 97 R CB 0.147 30.102 30.300 -0.576 0.000 1.347 97 R HN -0.038 nan 8.270 nan 0.000 0.580 98 P HA 0.029 nan 4.420 nan 0.000 0.267 98 P C -0.830 176.740 177.300 0.449 0.000 1.200 98 P CA 0.691 64.006 63.100 0.360 0.000 0.772 98 P CB 0.438 32.255 31.700 0.194 0.000 0.855 99 I N 2.586 123.333 120.570 0.294 0.000 2.466 99 I HA 0.341 4.565 4.170 0.088 0.000 0.289 99 I C -0.209 175.899 176.117 -0.015 0.000 1.026 99 I CA -0.903 60.427 61.300 0.051 0.000 1.078 99 I CB 1.760 39.689 38.000 -0.118 0.000 1.249 99 I HN 0.173 nan 8.210 nan 0.000 0.429 100 L N 6.596 127.752 121.223 -0.111 0.000 2.289 100 L HA 0.572 4.965 4.340 0.088 0.000 0.285 100 L C 0.014 176.815 176.870 -0.115 0.000 1.049 100 L CA -0.022 54.719 54.840 -0.164 0.000 0.804 100 L CB 1.370 43.249 42.059 -0.300 0.000 1.195 100 L HN 0.709 nan 8.230 nan 0.000 0.428 101 T N -0.165 114.348 114.554 -0.070 0.000 2.797 101 T HA 0.453 4.856 4.350 0.088 0.000 0.279 101 T C -0.531 174.173 174.700 0.008 0.000 0.991 101 T CA -1.014 61.073 62.100 -0.022 0.000 0.979 101 T CB 1.222 70.096 68.868 0.011 0.000 0.943 101 T HN 0.624 nan 8.240 nan 0.000 0.444 102 D N 1.801 122.217 120.400 0.027 0.000 2.360 102 D HA 0.183 4.876 4.640 0.088 0.000 0.242 102 D C 1.247 177.609 176.300 0.103 0.000 1.184 102 D CA -0.540 53.494 54.000 0.056 0.000 0.930 102 D CB 0.661 41.485 40.800 0.039 0.000 1.161 102 D HN 0.490 nan 8.370 nan 0.000 0.447 103 S N -0.714 115.068 115.700 0.137 0.000 2.528 103 S HA 0.286 4.809 4.470 0.088 0.000 0.219 103 S C 1.778 176.580 174.600 0.336 0.000 0.985 103 S CA 0.219 58.562 58.200 0.237 0.000 0.914 103 S CB -0.274 63.095 63.200 0.282 0.000 0.776 103 S HN 1.224 nan 8.310 nan 0.000 0.526 104 G N 0.628 109.586 108.800 0.264 0.000 2.258 104 G HA2 -0.231 3.782 3.960 0.088 0.000 0.233 104 G HA3 -0.231 3.782 3.960 0.088 0.000 0.233 104 G C 1.076 176.111 174.900 0.224 0.000 1.006 104 G CA 0.119 45.401 45.100 0.302 0.000 0.620 104 G HN 0.895 nan 8.290 nan 0.000 0.511 105 G N 0.196 109.092 108.800 0.160 0.000 2.545 105 G HA2 -0.188 3.825 3.960 0.088 0.000 0.217 105 G HA3 -0.188 3.825 3.960 0.088 0.000 0.217 105 G C 1.393 176.231 174.900 -0.104 0.000 1.218 105 G CA 1.874 46.924 45.100 -0.083 0.000 0.787 105 G HN 0.720 nan 8.290 nan 0.000 0.571 106 Y N 1.155 121.353 120.300 -0.170 0.000 2.096 106 Y HA -0.263 4.340 4.550 0.089 0.000 0.276 106 Y C 2.976 178.714 175.900 -0.270 0.000 1.209 106 Y CA 2.584 60.579 58.100 -0.175 0.000 1.137 106 Y CB -0.035 38.352 38.460 -0.121 0.000 0.956 106 Y HN 0.272 nan 8.280 nan 0.000 0.506 107 Q N -1.200 118.451 119.800 -0.249 0.000 2.403 107 Q HA -0.012 4.381 4.340 0.088 0.000 0.203 107 Q C 2.083 177.171 176.000 -1.520 0.000 0.932 107 Q CA 0.540 55.966 55.803 -0.628 0.000 0.945 107 Q CB 0.355 28.881 28.738 -0.353 0.000 1.045 107 Q HN 0.396 nan 8.270 nan 0.000 0.511 108 V N 0.419 119.626 119.914 -1.178 0.000 2.273 108 V HA -0.145 4.028 4.120 0.088 0.000 0.242 108 V C 1.599 177.357 176.094 -0.560 0.000 1.035 108 V CA 1.507 63.193 62.300 -1.023 0.000 1.013 108 V CB -0.318 31.069 31.823 -0.726 0.000 0.652 108 V HN 0.409 nan 8.190 nan 0.000 0.452 115 T N 2.170 116.785 114.554 0.102 0.000 2.940 115 T HA 0.550 4.953 4.350 0.088 0.000 0.309 115 T C 0.634 175.399 174.700 0.108 0.000 1.056 115 T CA 0.940 63.113 62.100 0.121 0.000 1.137 115 T CB 0.831 69.738 68.868 0.065 0.000 0.976 115 T HN 1.364 nan 8.240 nan 0.000 0.547 116 K N 3.469 123.951 120.400 0.137 0.000 2.559 116 K HA 0.455 4.828 4.320 0.088 0.000 0.249 116 K C -0.353 176.333 176.600 0.143 0.000 0.958 116 K CA -0.847 55.510 56.287 0.118 0.000 0.901 116 K CB 0.715 33.279 32.500 0.106 0.000 1.124 116 K HN 0.771 nan 8.250 nan 0.000 0.437 117 Q N 0.732 120.611 119.800 0.131 0.000 2.235 117 Q HA 0.742 5.135 4.340 0.088 0.000 0.256 117 Q C -0.089 176.013 176.000 0.170 0.000 0.951 117 Q CA -0.965 54.944 55.803 0.176 0.000 0.890 117 Q CB 1.947 30.783 28.738 0.163 0.000 1.279 117 Q HN 0.833 nan 8.270 nan 0.000 0.444 118 S N -0.599 115.242 115.700 0.236 0.000 2.656 118 S HA 0.214 4.737 4.470 0.088 0.000 0.273 118 S C 0.326 175.132 174.600 0.343 0.000 1.168 118 S CA -0.868 57.460 58.200 0.214 0.000 0.817 118 S CB 1.342 64.641 63.200 0.164 0.000 1.146 118 S HN 0.673 nan 8.310 nan 0.000 0.475 119 E N 0.527 120.895 120.200 0.280 0.000 2.209 119 E HA -0.116 4.287 4.350 0.088 0.000 0.196 119 E C 1.345 178.248 176.600 0.506 0.000 0.993 119 E CA 1.581 58.211 56.400 0.384 0.000 0.819 119 E CB -0.111 29.723 29.700 0.223 0.000 0.745 119 E HN 0.555 nan 8.360 nan 0.000 0.477 120 E N -0.555 119.819 120.200 0.289 0.000 2.216 120 E HA 0.156 4.559 4.350 0.088 0.000 0.192 120 E C 0.976 177.584 176.600 0.014 0.000 0.988 120 E CA 0.956 57.440 56.400 0.140 0.000 0.834 120 E CB 0.417 30.162 29.700 0.076 0.000 0.772 120 E HN 0.292 nan 8.360 nan 0.000 0.479 121 G N -0.406 108.471 108.800 0.128 0.000 2.373 121 G HA2 0.133 4.146 3.960 0.088 0.000 0.250 121 G HA3 0.133 4.146 3.960 0.088 0.000 0.250 121 G C -1.300 173.741 174.900 0.234 0.000 1.304 121 G CA -0.337 44.768 45.100 0.008 0.000 0.948 121 G HN 0.295 nan 8.290 nan 0.000 0.474 122 V N -2.008 118.054 119.914 0.245 0.000 2.680 122 V HA 0.934 5.107 4.120 0.088 0.000 0.309 122 V C -0.243 176.048 176.094 0.328 0.000 1.052 122 V CA 0.005 62.485 62.300 0.300 0.000 0.908 122 V CB 1.532 33.545 31.823 0.316 0.000 1.001 122 V HN 1.112 nan 8.190 nan 0.000 0.431 123 T N 6.074 120.808 114.554 0.300 0.000 2.888 123 T HA 0.954 5.357 4.350 0.088 0.000 0.284 123 T C -0.765 174.168 174.700 0.388 0.000 1.017 123 T CA 0.020 62.270 62.100 0.249 0.000 1.022 123 T CB 1.244 70.176 68.868 0.106 0.000 1.013 123 T HN 1.329 nan 8.240 nan 0.000 0.465 135 L N 4.475 125.716 121.223 0.030 0.000 2.363 135 L HA 0.756 5.149 4.340 0.088 0.000 0.286 135 L C -0.303 176.324 176.870 -0.405 0.000 1.106 135 L CA 0.825 55.609 54.840 -0.093 0.000 0.859 135 L CB 0.285 42.451 42.059 0.178 0.000 1.223 135 L HN 0.935 nan 8.230 nan 0.000 0.446 136 S N 4.389 119.749 115.700 -0.567 0.000 2.739 136 S HA 0.680 5.203 4.470 0.088 0.000 0.306 136 S C -2.052 171.941 174.600 -1.012 0.000 1.115 136 S CA -1.349 56.424 58.200 -0.711 0.000 0.985 136 S CB 1.238 64.218 63.200 -0.367 0.000 1.133 136 S HN 0.379 nan 8.310 nan 0.000 0.541 137 P HA -0.109 nan 4.420 nan 0.000 0.216 137 P C 0.922 178.065 177.300 -0.261 0.000 1.153 137 P CA 1.423 64.275 63.100 -0.413 0.000 0.858 137 P CB -0.032 31.564 31.700 -0.174 0.000 0.789 138 E N -0.976 119.093 120.200 -0.218 0.000 2.072 138 E HA -0.175 4.228 4.350 0.088 0.000 0.191 138 E C 2.172 178.692 176.600 -0.133 0.000 0.985 138 E CA 1.011 57.338 56.400 -0.121 0.000 0.801 138 E CB -0.602 29.042 29.700 -0.093 0.000 0.750 138 E HN 0.017 nan 8.360 nan 0.000 0.452 139 R N 0.387 120.766 120.500 -0.201 0.000 2.090 139 R HA 0.023 4.416 4.340 0.088 0.000 0.228 139 R C 2.240 178.451 176.300 -0.149 0.000 1.110 139 R CA 1.544 57.548 56.100 -0.159 0.000 0.973 139 R CB -0.807 29.390 30.300 -0.171 0.000 0.869 139 R HN 0.142 nan 8.270 nan 0.000 0.440 140 S N -0.196 115.353 115.700 -0.252 0.000 2.356 140 S HA -0.053 4.470 4.470 0.088 0.000 0.223 140 S C 1.810 176.407 174.600 -0.004 0.000 1.032 140 S CA 1.286 59.402 58.200 -0.141 0.000 1.005 140 S CB -0.212 62.843 63.200 -0.242 0.000 0.867 140 S HN 0.318 nan 8.310 nan 0.000 0.449 141 I N 1.901 122.477 120.570 0.009 0.000 2.315 141 I HA -0.087 4.136 4.170 0.088 0.000 0.248 141 I C 2.561 178.733 176.117 0.091 0.000 1.117 141 I CA 1.381 62.739 61.300 0.096 0.000 1.404 141 I CB -1.568 36.507 38.000 0.126 0.000 1.071 141 I HN 0.548 nan 8.210 nan 0.000 0.419 142 E N 1.326 121.549 120.200 0.040 0.000 2.077 142 E HA -0.208 4.195 4.350 0.088 0.000 0.193 142 E C 2.411 179.061 176.600 0.083 0.000 0.989 142 E CA 1.158 57.598 56.400 0.066 0.000 0.800 142 E CB -0.001 29.709 29.700 0.016 0.000 0.746 142 E HN 0.428 nan 8.360 nan 0.000 0.452 143 I N 0.986 121.577 120.570 0.035 0.000 2.208 143 I HA -0.323 3.900 4.170 0.088 0.000 0.245 143 I C 2.614 178.755 176.117 0.040 0.000 1.097 143 I CA 1.391 62.704 61.300 0.022 0.000 1.363 143 I CB -0.259 37.749 38.000 0.013 0.000 1.051 143 I HN 0.199 nan 8.210 nan 0.000 0.413 144 Q N -0.587 119.258 119.800 0.075 0.000 2.170 144 Q HA -0.276 4.117 4.340 0.088 0.000 0.203 144 Q C 2.126 178.189 176.000 0.106 0.000 0.976 144 Q CA 1.696 57.552 55.803 0.089 0.000 0.858 144 Q CB -0.345 28.463 28.738 0.118 0.000 0.907 144 Q HN 0.567 nan 8.270 nan 0.000 0.433 145 H N 0.998 120.086 119.070 0.030 0.000 2.319 145 H HA -0.095 4.515 4.556 0.089 0.000 0.299 145 H C 1.774 177.103 175.328 0.002 0.000 1.092 145 H CA 1.605 57.657 56.048 0.006 0.000 1.302 145 H CB -0.247 29.500 29.762 -0.024 0.000 1.373 145 H HN 0.124 nan 8.280 nan 0.000 0.497 146 L N -0.219 120.897 121.223 -0.178 0.000 2.083 146 L HA -0.155 4.238 4.340 0.088 0.000 0.209 146 L C 2.486 179.257 176.870 -0.165 0.000 1.083 146 L CA 0.948 55.651 54.840 -0.228 0.000 0.752 146 L CB -0.344 41.653 42.059 -0.103 0.000 0.899 146 L HN 0.322 nan 8.230 nan 0.000 0.433 147 L N -0.387 120.783 121.223 -0.089 0.000 2.201 147 L HA -0.025 4.368 4.340 0.088 0.000 0.212 147 L C 1.464 178.331 176.870 -0.006 0.000 1.105 147 L CA 0.786 55.596 54.840 -0.051 0.000 0.775 147 L CB -0.726 41.320 42.059 -0.022 0.000 0.913 147 L HN 0.518 nan 8.230 nan 0.000 0.440 148 G N 0.414 109.207 108.800 -0.011 0.000 2.182 148 G HA2 -0.282 3.731 3.960 0.088 0.000 0.248 148 G HA3 -0.282 3.731 3.960 0.088 0.000 0.248 148 G C 0.324 175.342 174.900 0.197 0.000 1.042 148 G CA 0.376 45.521 45.100 0.074 0.000 0.775 148 G HN 0.319 nan 8.290 nan 0.000 0.501 149 S N -0.549 115.232 115.700 0.136 0.000 2.558 149 S HA 0.245 4.768 4.470 0.088 0.000 0.288 149 S C 1.468 176.177 174.600 0.181 0.000 1.318 149 S CA 0.725 59.012 58.200 0.146 0.000 1.056 149 S CB 0.407 63.664 63.200 0.094 0.000 0.853 149 S HN 0.324 nan 8.310 nan 0.000 0.505 150 D N 3.036 123.547 120.400 0.185 0.000 2.201 150 D HA 0.118 4.811 4.640 0.088 0.000 0.209 150 D C 0.230 176.590 176.300 0.099 0.000 0.961 150 D CA 0.988 55.083 54.000 0.158 0.000 0.861 150 D CB 0.180 41.084 40.800 0.173 0.000 0.997 150 D HN 0.502 nan 8.370 nan 0.000 0.486 151 I N 2.131 122.696 120.570 -0.007 0.000 2.382 151 I HA 0.156 4.379 4.170 0.088 0.000 0.285 151 I C -0.524 175.509 176.117 -0.138 0.000 1.007 151 I CA -0.601 60.593 61.300 -0.177 0.000 1.142 151 I CB 2.406 40.118 38.000 -0.479 0.000 1.289 151 I HN -0.347 nan 8.210 nan 0.000 0.453 152 V N 6.814 126.697 119.914 -0.052 0.000 2.439 152 V HA 0.371 4.544 4.120 0.088 0.000 0.282 152 V C 0.411 176.487 176.094 -0.031 0.000 1.039 152 V CA -0.520 61.798 62.300 0.031 0.000 0.913 152 V CB 1.481 33.430 31.823 0.210 0.000 0.983 152 V HN 0.575 nan 8.190 nan 0.000 0.460 153 M N 3.677 123.284 119.600 0.012 0.000 2.233 153 M HA 0.499 5.032 4.480 0.088 0.000 0.355 153 M C 0.398 176.741 176.300 0.072 0.000 1.191 153 M CA -0.484 54.833 55.300 0.029 0.000 1.101 153 M CB 1.158 33.786 32.600 0.046 0.000 1.592 153 M HN 0.737 nan 8.290 nan 0.000 0.461 154 A N 3.136 125.976 122.820 0.034 0.000 2.520 154 A HA 0.159 4.533 4.320 0.088 0.000 0.235 154 A C -0.452 177.237 177.584 0.174 0.000 1.065 154 A CA -0.104 51.992 52.037 0.098 0.000 0.764 154 A CB -0.120 18.872 19.000 -0.013 0.000 1.002 154 A HN 0.746 nan 8.150 nan 0.000 0.502 155 F N 2.864 122.864 119.950 0.084 0.000 2.444 155 F HA 0.390 4.970 4.527 0.088 0.000 0.360 155 F C 0.276 176.235 175.800 0.265 0.000 1.106 155 F CA -0.118 57.943 58.000 0.101 0.000 1.170 155 F CB 0.473 39.463 39.000 -0.017 0.000 1.113 155 F HN 0.767 nan 8.300 nan 0.000 0.521 156 D N 3.818 124.090 120.400 -0.214 0.000 2.614 156 D HA 0.269 4.962 4.640 0.088 0.000 0.264 156 D C -1.517 174.717 176.300 -0.110 0.000 1.092 156 D CA -0.796 53.196 54.000 -0.014 0.000 1.071 156 D CB 1.307 42.086 40.800 -0.034 0.000 1.443 156 D HN 0.554 nan 8.370 nan 0.000 0.528 157 E N -0.654 119.500 120.200 -0.077 0.000 2.176 157 E HA 0.318 4.721 4.350 0.088 0.000 0.267 157 E C -0.005 176.552 176.600 -0.072 0.000 0.893 157 E CA -0.752 55.589 56.400 -0.099 0.000 0.761 157 E CB 1.911 31.487 29.700 -0.207 0.000 1.133 157 E HN 0.524 nan 8.360 nan 0.000 0.409 158 C N 2.979 122.255 119.300 -0.039 0.000 2.485 158 C HA 0.070 4.583 4.460 0.088 0.000 0.277 158 C C 0.091 175.088 174.990 0.011 0.000 1.376 158 C CA 1.141 60.170 59.018 0.019 0.000 1.759 158 C CB -0.787 27.020 27.740 0.111 0.000 1.970 158 C HN 0.914 nan 8.230 nan 0.000 0.509 159 T N 2.047 116.593 114.554 -0.013 0.000 1.451 159 T HA -0.091 4.312 4.350 0.088 0.000 0.669 159 T C -2.543 172.178 174.700 0.034 0.000 0.957 159 T CA -0.135 61.971 62.100 0.010 0.000 3.547 159 T CB -1.178 67.710 68.868 0.034 0.000 2.038 159 T HN 0.398 nan 8.240 nan 0.000 0.411 160 P HA 0.335 nan 4.420 nan 0.000 0.268 160 P C -0.761 176.599 177.300 0.099 0.000 1.208 160 P CA -0.386 62.736 63.100 0.036 0.000 0.777 160 P CB 0.382 32.081 31.700 -0.002 0.000 0.875 161 Y N 3.313 123.606 120.300 -0.012 0.000 2.352 161 Y HA 0.482 5.085 4.550 0.089 0.000 0.339 161 Y C -2.175 173.720 175.900 -0.008 0.000 0.992 161 Y CA -2.387 55.707 58.100 -0.011 0.000 1.100 161 Y CB 0.991 39.438 38.460 -0.021 0.000 1.192 161 Y HN 0.335 nan 8.280 nan 0.000 0.458 162 P HA 0.545 nan 4.420 nan 0.000 0.276 162 P C -1.704 175.465 177.300 -0.218 0.000 1.244 162 P CA -0.498 62.148 63.100 -0.757 0.000 0.801 162 P CB 1.655 32.943 31.700 -0.687 0.000 1.006 163 A N 0.956 123.731 122.820 -0.076 0.000 2.371 163 A HA 0.621 4.994 4.320 0.088 0.000 0.311 163 A C 0.290 177.973 177.584 0.165 0.000 1.068 163 A CA -0.536 51.540 52.037 0.065 0.000 0.744 163 A CB 0.818 19.899 19.000 0.135 0.000 1.239 163 A HN 0.645 nan 8.150 nan 0.000 0.435 164 T N 0.625 115.224 114.554 0.074 0.000 2.900 164 T HA 0.338 4.741 4.350 0.088 0.000 0.307 164 T C -1.815 172.863 174.700 -0.036 0.000 1.065 164 T CA -0.856 61.264 62.100 0.034 0.000 1.105 164 T CB 0.472 69.326 68.868 -0.024 0.000 0.979 164 T HN 0.290 nan 8.240 nan 0.000 0.544 165 P HA -0.154 nan 4.420 nan 0.000 0.216 165 P C 1.984 179.132 177.300 -0.253 0.000 1.153 165 P CA 1.305 64.071 63.100 -0.557 0.000 0.858 165 P CB -0.108 31.204 31.700 -0.648 0.000 0.789 166 S N -0.860 114.745 115.700 -0.159 0.000 2.359 166 S HA -0.197 4.326 4.470 0.088 0.000 0.224 166 S C 2.016 176.574 174.600 -0.070 0.000 1.035 166 S CA 1.260 59.398 58.200 -0.103 0.000 1.018 166 S CB -0.516 62.638 63.200 -0.077 0.000 0.876 166 S HN 0.004 nan 8.310 nan 0.000 0.448 167 R N 0.492 120.964 120.500 -0.046 0.000 2.073 167 R HA 0.075 4.468 4.340 0.088 0.000 0.229 167 R C 2.704 179.000 176.300 -0.006 0.000 1.120 167 R CA 1.156 57.241 56.100 -0.025 0.000 0.967 167 R CB -0.629 29.664 30.300 -0.012 0.000 0.862 167 R HN 0.519 nan 8.270 nan 0.000 0.436 168 A N 1.379 124.218 122.820 0.033 0.000 1.902 168 A HA -0.110 4.263 4.320 0.088 0.000 0.217 168 A C 2.368 179.969 177.584 0.029 0.000 1.181 168 A CA 1.699 53.788 52.037 0.087 0.000 0.623 168 A CB -0.559 18.602 19.000 0.268 0.000 0.818 168 A HN 0.388 nan 8.150 nan 0.000 0.443 169 A N -0.546 122.262 122.820 -0.021 0.000 1.877 169 A HA -0.062 4.311 4.320 0.088 0.000 0.216 169 A C 2.450 180.003 177.584 -0.052 0.000 1.186 169 A CA 2.044 54.057 52.037 -0.039 0.000 0.620 169 A CB -0.948 18.011 19.000 -0.069 0.000 0.822 169 A HN 0.450 nan 8.150 nan 0.000 0.443 170 S N -0.386 115.278 115.700 -0.060 0.000 2.359 170 S HA -0.172 4.351 4.470 0.088 0.000 0.224 170 S C 2.347 176.880 174.600 -0.111 0.000 1.035 170 S CA 1.619 59.772 58.200 -0.078 0.000 1.018 170 S CB -0.411 62.748 63.200 -0.069 0.000 0.876 170 S HN 0.680 nan 8.310 nan 0.000 0.448 171 S N 0.920 116.562 115.700 -0.096 0.000 2.368 171 S HA -0.039 4.484 4.470 0.088 0.000 0.224 171 S C 1.967 176.478 174.600 -0.147 0.000 1.029 171 S CA 1.078 59.197 58.200 -0.135 0.000 0.988 171 S CB -0.369 62.781 63.200 -0.084 0.000 0.838 171 S HN 0.411 nan 8.310 nan 0.000 0.462 172 M N 1.398 120.950 119.600 -0.081 0.000 2.086 172 M HA -0.106 4.427 4.480 0.088 0.000 0.261 172 M C 1.763 178.010 176.300 -0.087 0.000 1.067 172 M CA 1.889 57.151 55.300 -0.062 0.000 1.116 172 M CB -1.088 31.505 32.600 -0.011 0.000 1.348 172 M HN 0.385 nan 8.290 nan 0.000 0.407 173 E N -0.382 119.763 120.200 -0.092 0.000 2.077 173 E HA -0.236 4.167 4.350 0.088 0.000 0.193 173 E C 2.153 178.662 176.600 -0.151 0.000 0.989 173 E CA 1.479 57.825 56.400 -0.090 0.000 0.800 173 E CB -0.273 29.383 29.700 -0.074 0.000 0.746 173 E HN 0.514 nan 8.360 nan 0.000 0.452 174 R N 0.615 120.960 120.500 -0.258 0.000 2.081 174 R HA -0.143 4.250 4.340 0.088 0.000 0.235 174 R C 2.455 178.400 176.300 -0.591 0.000 1.131 174 R CA 1.655 57.456 56.100 -0.500 0.000 0.960 174 R CB -0.314 29.590 30.300 -0.661 0.000 0.856 174 R HN 0.049 nan 8.270 nan 0.000 0.436 175 S N -0.256 115.208 115.700 -0.394 0.000 2.382 175 S HA -0.116 4.407 4.470 0.088 0.000 0.228 175 S C 1.938 176.532 174.600 -0.010 0.000 1.027 175 S CA 1.263 59.357 58.200 -0.177 0.000 0.991 175 S CB -0.041 63.093 63.200 -0.110 0.000 0.823 175 S HN 0.311 nan 8.310 nan 0.000 0.469 176 M N 0.999 120.585 119.600 -0.024 0.000 2.200 176 M HA 0.084 4.617 4.480 0.088 0.000 0.265 176 M C 2.192 178.556 176.300 0.107 0.000 1.066 176 M CA 1.180 56.514 55.300 0.057 0.000 1.127 176 M CB -1.352 31.273 32.600 0.042 0.000 1.379 176 M HN 0.354 nan 8.290 nan 0.000 0.420 177 R N -0.920 119.616 120.500 0.060 0.000 2.081 177 R HA -0.185 4.208 4.340 0.088 0.000 0.235 177 R C 2.058 178.550 176.300 0.319 0.000 1.131 177 R CA 1.399 57.583 56.100 0.141 0.000 0.960 177 R CB -0.283 30.067 30.300 0.082 0.000 0.856 177 R HN 0.383 nan 8.270 nan 0.000 0.436 178 W N 0.360 121.725 121.300 0.108 0.000 2.425 178 W HA 0.090 4.803 4.660 0.088 0.000 0.277 178 W C 2.283 178.900 176.519 0.163 0.000 1.231 178 W CA 0.332 57.766 57.345 0.150 0.000 1.248 178 W CB -0.755 28.809 29.460 0.173 0.000 1.117 178 W HN 0.177 nan 8.180 nan 0.000 0.568 179 A N 0.311 123.349 122.820 0.363 0.000 1.898 179 A HA -0.187 4.186 4.320 0.088 0.000 0.216 179 A C 2.046 179.858 177.584 0.380 0.000 1.181 179 A CA 2.096 54.335 52.037 0.337 0.000 0.620 179 A CB -0.560 18.599 19.000 0.265 0.000 0.819 179 A HN 0.090 nan 8.150 nan 0.000 0.442 180 K N 0.255 120.825 120.400 0.283 0.000 2.057 180 K HA -0.053 4.320 4.320 0.088 0.000 0.206 180 K C 2.042 178.746 176.600 0.173 0.000 1.050 180 K CA 1.574 57.978 56.287 0.195 0.000 0.935 180 K CB -0.354 32.234 32.500 0.147 0.000 0.715 180 K HN 0.437 nan 8.250 nan 0.000 0.439 181 R N -0.157 120.464 120.500 0.202 0.000 2.096 181 R HA -0.039 4.354 4.340 0.088 0.000 0.235 181 R C 2.382 178.768 176.300 0.144 0.000 1.127 181 R CA 1.630 57.822 56.100 0.154 0.000 0.968 181 R CB -0.299 30.090 30.300 0.150 0.000 0.861 181 R HN 0.143 nan 8.270 nan 0.000 0.440 182 S N 0.440 116.259 115.700 0.199 0.000 2.356 182 S HA -0.161 4.362 4.470 0.088 0.000 0.223 182 S C 1.796 176.518 174.600 0.202 0.000 1.032 182 S CA 1.357 59.678 58.200 0.203 0.000 1.005 182 S CB -0.207 63.144 63.200 0.251 0.000 0.867 182 S HN 0.222 nan 8.310 nan 0.000 0.449 183 R N 1.842 122.454 120.500 0.188 0.000 2.096 183 R HA -0.133 4.261 4.340 0.088 0.000 0.240 183 R C 1.442 177.804 176.300 0.103 0.000 1.139 183 R CA 2.051 58.191 56.100 0.066 0.000 0.952 183 R CB -0.694 29.549 30.300 -0.096 0.000 0.854 183 R HN 0.234 nan 8.270 nan 0.000 0.436 184 D N -0.311 120.143 120.400 0.090 0.000 2.149 184 D HA -0.015 4.679 4.640 0.088 0.000 0.201 184 D C 1.715 178.062 176.300 0.078 0.000 0.972 184 D CA 1.514 55.556 54.000 0.070 0.000 0.835 184 D CB -0.369 40.463 40.800 0.054 0.000 0.966 184 D HN 0.392 nan 8.370 nan 0.000 0.476 185 A N 0.416 123.292 122.820 0.093 0.000 1.902 185 A HA -0.173 4.200 4.320 0.088 0.000 0.217 185 A C 2.098 179.737 177.584 0.091 0.000 1.181 185 A CA 1.002 53.080 52.037 0.069 0.000 0.623 185 A CB -0.992 18.044 19.000 0.061 0.000 0.818 185 A HN 0.261 nan 8.150 nan 0.000 0.443 186 F N 1.170 121.118 119.950 -0.004 0.000 2.134 186 F HA -0.162 4.417 4.527 0.088 0.000 0.299 186 F C 1.654 177.435 175.800 -0.032 0.000 1.097 186 F CA 2.095 60.089 58.000 -0.011 0.000 1.264 186 F CB -0.121 38.894 39.000 0.026 0.000 1.001 186 F HN 0.224 nan 8.300 nan 0.000 0.479 187 D N -0.586 119.936 120.400 0.203 0.000 2.224 187 D HA -0.096 4.597 4.640 0.088 0.000 0.205 187 D C 2.317 178.602 176.300 -0.026 0.000 0.965 187 D CA 1.140 55.192 54.000 0.087 0.000 0.852 187 D CB -0.209 40.650 40.800 0.097 0.000 0.947 187 D HN 0.227 nan 8.370 nan 0.000 0.494 188 S N -0.246 115.436 115.700 -0.031 0.000 2.522 188 S HA -0.020 4.503 4.470 0.088 0.000 0.227 188 S C 1.088 175.625 174.600 -0.105 0.000 0.986 188 S CA -0.029 58.139 58.200 -0.053 0.000 0.929 188 S CB 0.328 63.509 63.200 -0.033 0.000 0.769 188 S HN 0.129 nan 8.310 nan 0.000 0.529 189 R N 1.384 121.780 120.500 -0.173 0.000 2.278 189 R HA 0.355 4.748 4.340 0.088 0.000 0.322 189 R C 1.223 177.363 176.300 -0.266 0.000 1.058 189 R CA -0.003 55.947 56.100 -0.250 0.000 0.991 189 R CB 0.125 30.211 30.300 -0.357 0.000 1.140 189 R HN 0.156 nan 8.270 nan 0.000 0.518 190 K N 2.872 123.166 120.400 -0.177 0.000 2.063 190 K HA -0.204 4.169 4.320 0.088 0.000 0.208 190 K C 1.530 178.042 176.600 -0.146 0.000 1.048 190 K CA 1.802 58.007 56.287 -0.137 0.000 0.928 190 K CB -0.546 31.904 32.500 -0.083 0.000 0.713 190 K HN 0.734 nan 8.250 nan 0.000 0.442 191 E N -0.113 120.002 120.200 -0.141 0.000 2.150 191 E HA -0.218 4.185 4.350 0.088 0.000 0.193 191 E C 2.332 178.865 176.600 -0.112 0.000 0.985 191 E CA 1.404 57.757 56.400 -0.079 0.000 0.814 191 E CB 0.046 29.749 29.700 0.005 0.000 0.752 191 E HN 0.745 nan 8.360 nan 0.000 0.466 192 Q N -0.036 119.616 119.800 -0.246 0.000 2.046 192 Q HA -0.116 4.277 4.340 0.088 0.000 0.200 192 Q C 2.059 177.722 176.000 -0.562 0.000 0.975 192 Q CA 1.483 57.075 55.803 -0.352 0.000 0.836 192 Q CB -0.151 28.280 28.738 -0.512 0.000 0.896 192 Q HN 0.252 nan 8.270 nan 0.000 0.428 193 A N 0.696 123.144 122.820 -0.620 0.000 1.972 193 A HA -0.211 4.162 4.320 0.088 0.000 0.219 193 A C 1.691 179.213 177.584 -0.103 0.000 1.169 193 A CA 1.687 53.459 52.037 -0.441 0.000 0.635 193 A CB -0.427 18.437 19.000 -0.225 0.000 0.810 193 A HN 0.540 nan 8.150 nan 0.000 0.446 194 E N -0.740 119.410 120.200 -0.084 0.000 2.299 194 E HA -0.033 4.371 4.350 0.088 0.000 0.193 194 E C 0.986 177.605 176.600 0.033 0.000 0.998 194 E CA 0.693 57.090 56.400 -0.005 0.000 0.851 194 E CB 0.030 29.720 29.700 -0.016 0.000 0.795 194 E HN 0.588 nan 8.360 nan 0.000 0.492 195 N N -0.530 118.183 118.700 0.022 0.000 2.257 195 N HA 0.139 4.932 4.740 0.088 0.000 0.200 195 N C -0.060 175.516 175.510 0.111 0.000 1.163 195 N CA 0.150 53.234 53.050 0.057 0.000 0.891 195 N CB 1.258 39.764 38.487 0.032 0.000 1.067 195 N HN -0.044 nan 8.380 nan 0.000 0.497 196 A N 0.508 123.416 122.820 0.146 0.000 2.309 196 A HA 0.876 5.249 4.320 0.088 0.000 0.317 196 A C -0.747 177.078 177.584 0.402 0.000 1.134 196 A CA -0.456 51.735 52.037 0.256 0.000 0.866 196 A CB 1.342 20.503 19.000 0.270 0.000 1.329 196 A HN 0.095 nan 8.150 nan 0.000 0.477 197 A N -0.608 122.388 122.820 0.294 0.000 2.354 197 A HA 0.748 5.121 4.320 0.088 0.000 0.321 197 A C -1.300 176.204 177.584 -0.133 0.000 1.125 197 A CA -0.451 51.616 52.037 0.049 0.000 0.799 197 A CB 1.224 20.133 19.000 -0.152 0.000 1.293 197 A HN 1.522 nan 8.150 nan 0.000 0.452 198 L N 1.203 122.191 121.223 -0.392 0.000 2.381 198 L HA 0.775 5.168 4.340 0.088 0.000 0.274 198 L C -1.891 175.022 176.870 0.071 0.000 0.988 198 L CA -0.276 54.309 54.840 -0.425 0.000 0.824 198 L CB 1.155 42.591 42.059 -1.039 0.000 1.263 198 L HN 0.520 nan 8.230 nan 0.000 0.410 199 F N 2.690 122.493 119.950 -0.246 0.000 2.443 199 F HA 0.756 5.337 4.527 0.090 0.000 0.335 199 F C 0.962 176.411 175.800 -0.584 0.000 1.104 199 F CA -1.108 56.692 58.000 -0.332 0.000 1.013 199 F CB 1.851 40.728 39.000 -0.206 0.000 1.136 199 F HN 0.564 nan 8.300 nan 0.000 0.470 200 G N 2.518 110.703 108.800 -1.025 0.000 2.477 200 G HA2 0.631 4.644 3.960 0.088 0.000 0.304 200 G HA3 0.631 4.644 3.960 0.088 0.000 0.304 200 G C -0.972 173.625 174.900 -0.505 0.000 1.175 200 G CA -0.578 43.739 45.100 -1.306 0.000 0.907 200 G HN 0.524 nan 8.290 nan 0.000 0.509 201 I N 0.579 120.949 120.570 -0.333 0.000 2.439 201 I HA 0.210 4.433 4.170 0.088 0.000 0.283 201 I C 0.140 176.194 176.117 -0.105 0.000 1.023 201 I CA -0.503 60.697 61.300 -0.166 0.000 1.100 201 I CB 1.967 39.889 38.000 -0.131 0.000 1.238 201 I HN 0.424 nan 8.210 nan 0.000 0.445 202 Q N 6.023 125.783 119.800 -0.065 0.000 2.313 202 Q HA 0.194 4.587 4.340 0.088 0.000 0.266 202 Q C -0.752 175.228 176.000 -0.034 0.000 0.989 202 Q CA -0.082 55.703 55.803 -0.030 0.000 0.890 202 Q CB 1.064 29.791 28.738 -0.018 0.000 1.200 202 Q HN 0.529 nan 8.270 nan 0.000 0.396 203 Q N 1.331 121.123 119.800 -0.015 0.000 2.823 203 Q HA 0.542 4.935 4.340 0.088 0.000 0.230 203 Q C 0.228 176.251 176.000 0.037 0.000 1.026 203 Q CA 0.030 55.834 55.803 0.000 0.000 0.940 203 Q CB 1.510 30.238 28.738 -0.016 0.000 1.382 203 Q HN 0.973 nan 8.270 nan 0.000 0.502 204 G N -0.330 108.509 108.800 0.065 0.000 2.183 204 G HA2 -0.200 3.813 3.960 0.088 0.000 0.168 204 G HA3 -0.200 3.813 3.960 0.088 0.000 0.168 204 G C 0.338 175.347 174.900 0.183 0.000 1.008 204 G CA 0.958 46.137 45.100 0.132 0.000 0.677 204 G HN 0.803 nan 8.290 nan 0.000 0.498 205 S N -2.260 113.505 115.700 0.108 0.000 3.762 205 S HA -0.348 4.175 4.470 0.088 0.000 0.627 205 S C 1.786 176.346 174.600 -0.067 0.000 2.389 205 S CA 3.334 61.562 58.200 0.048 0.000 3.978 205 S CB -1.242 62.030 63.200 0.120 0.000 0.234 205 S HN 2.021 nan 8.310 nan 0.000 0.960 206 V N -0.176 119.519 119.914 -0.365 0.000 3.514 206 V HA 0.549 4.722 4.120 0.088 0.000 0.301 206 V C 0.236 176.180 176.094 -0.251 0.000 1.346 206 V CA 0.295 62.411 62.300 -0.307 0.000 1.156 206 V CB -0.758 30.881 31.823 -0.307 0.000 1.029 206 V HN 0.470 nan 8.190 nan 0.000 0.428 207 F N 1.223 121.281 119.950 0.180 0.000 2.405 207 F HA 0.504 5.084 4.527 0.089 0.000 0.355 207 F C 1.553 177.349 175.800 -0.008 0.000 1.121 207 F CA -0.857 57.190 58.000 0.078 0.000 1.112 207 F CB 1.453 40.469 39.000 0.027 0.000 1.126 207 F HN 0.101 nan 8.300 nan 0.000 0.481 208 E N 2.825 122.934 120.200 -0.153 0.000 2.058 208 E HA -0.272 4.131 4.350 0.088 0.000 0.194 208 E C 1.909 178.394 176.600 -0.191 0.000 0.997 208 E CA 1.884 57.934 56.400 -0.584 0.000 0.801 208 E CB 0.067 29.090 29.700 -1.129 0.000 0.746 208 E HN 0.743 nan 8.360 nan 0.000 0.450 209 N N 1.163 119.805 118.700 -0.097 0.000 2.166 209 N HA -0.215 4.578 4.740 0.088 0.000 0.186 209 N C 2.017 177.525 175.510 -0.004 0.000 1.019 209 N CA 1.486 54.504 53.050 -0.052 0.000 0.856 209 N CB -0.768 37.689 38.487 -0.050 0.000 0.993 209 N HN 0.320 nan 8.380 nan 0.000 0.426 210 L N -0.250 121.004 121.223 0.052 0.000 2.109 210 L HA 0.055 4.449 4.340 0.088 0.000 0.207 210 L C 2.766 179.679 176.870 0.071 0.000 1.086 210 L CA 0.688 55.568 54.840 0.067 0.000 0.760 210 L CB -0.326 41.805 42.059 0.120 0.000 0.910 210 L HN 0.068 nan 8.230 nan 0.000 0.437 211 R N 0.234 120.794 120.500 0.100 0.000 2.091 211 R HA -0.204 4.189 4.340 0.088 0.000 0.238 211 R C 2.219 178.553 176.300 0.056 0.000 1.136 211 R CA 1.453 57.615 56.100 0.103 0.000 0.959 211 R CB -0.453 29.973 30.300 0.209 0.000 0.856 211 R HN 0.343 nan 8.270 nan 0.000 0.437 212 Q N 1.188 121.005 119.800 0.029 0.000 2.046 212 Q HA -0.140 4.253 4.340 0.088 0.000 0.200 212 Q C 1.989 177.992 176.000 0.005 0.000 0.975 212 Q CA 1.701 57.508 55.803 0.005 0.000 0.836 212 Q CB -0.065 28.661 28.738 -0.020 0.000 0.896 212 Q HN 0.367 nan 8.270 nan 0.000 0.428 213 Q N -0.734 119.070 119.800 0.006 0.000 2.096 213 Q HA -0.158 4.235 4.340 0.088 0.000 0.204 213 Q C 2.220 178.231 176.000 0.018 0.000 0.982 213 Q CA 1.536 57.344 55.803 0.008 0.000 0.850 213 Q CB -0.286 28.454 28.738 0.003 0.000 0.901 213 Q HN 0.366 nan 8.270 nan 0.000 0.422 214 S N 0.072 115.786 115.700 0.023 0.000 2.355 214 S HA -0.142 4.381 4.470 0.088 0.000 0.222 214 S C 2.015 176.636 174.600 0.034 0.000 1.031 214 S CA 1.032 59.249 58.200 0.028 0.000 0.993 214 S CB -0.234 62.981 63.200 0.025 0.000 0.859 214 S HN 0.455 nan 8.310 nan 0.000 0.453 215 A N 1.585 124.414 122.820 0.015 0.000 1.883 215 A HA -0.151 4.222 4.320 0.088 0.000 0.217 215 A C 1.892 179.475 177.584 -0.001 0.000 1.186 215 A CA 2.088 54.117 52.037 -0.013 0.000 0.624 215 A CB -1.036 17.933 19.000 -0.051 0.000 0.822 215 A HN 0.568 nan 8.150 nan 0.000 0.444 216 D N -0.029 120.375 120.400 0.006 0.000 2.117 216 D HA -0.042 4.651 4.640 0.088 0.000 0.197 216 D C 2.249 178.579 176.300 0.050 0.000 0.987 216 D CA 1.520 55.529 54.000 0.015 0.000 0.829 216 D CB -0.502 40.303 40.800 0.009 0.000 0.961 216 D HN 0.430 nan 8.370 nan 0.000 0.460 217 A N 0.712 123.570 122.820 0.064 0.000 1.877 217 A HA -0.132 4.241 4.320 0.088 0.000 0.216 217 A C 2.399 180.083 177.584 0.166 0.000 1.186 217 A CA 0.989 53.082 52.037 0.094 0.000 0.620 217 A CB -0.797 18.251 19.000 0.080 0.000 0.822 217 A HN 0.208 nan 8.150 nan 0.000 0.443 218 L N -0.920 120.428 121.223 0.209 0.000 2.056 218 L HA -0.166 4.227 4.340 0.088 0.000 0.207 218 L C 3.069 180.227 176.870 0.480 0.000 1.078 218 L CA 1.022 56.109 54.840 0.412 0.000 0.749 218 L CB -0.544 41.740 42.059 0.374 0.000 0.901 218 L HN 0.436 nan 8.230 nan 0.000 0.433 219 A N -0.328 122.643 122.820 0.251 0.000 1.969 219 A HA -0.209 4.164 4.320 0.088 0.000 0.218 219 A C 2.281 179.945 177.584 0.134 0.000 1.169 219 A CA 1.792 53.930 52.037 0.168 0.000 0.635 219 A CB -0.509 18.484 19.000 -0.010 0.000 0.810 219 A HN 0.330 nan 8.150 nan 0.000 0.445 220 E N -0.049 120.213 120.200 0.104 0.000 2.072 220 E HA -0.138 4.265 4.350 0.088 0.000 0.191 220 E C 1.859 178.485 176.600 0.043 0.000 0.985 220 E CA 1.298 57.736 56.400 0.063 0.000 0.801 220 E CB -0.491 29.241 29.700 0.054 0.000 0.750 220 E HN 0.704 nan 8.360 nan 0.000 0.452 221 I N -0.269 120.336 120.570 0.059 0.000 2.202 221 I HA 0.101 4.325 4.170 0.088 0.000 0.242 221 I C 1.535 177.517 176.117 -0.225 0.000 1.091 221 I CA 0.992 62.251 61.300 -0.069 0.000 1.368 221 I CB -0.377 37.611 38.000 -0.021 0.000 1.058 221 I HN 0.511 nan 8.210 nan 0.000 0.410 222 G N 0.846 109.554 108.800 -0.154 0.000 3.307 222 G HA2 -0.169 3.844 3.960 0.088 0.000 0.686 222 G HA3 -0.169 3.844 3.960 0.088 0.000 0.686 222 G C -0.834 173.717 174.900 -0.583 0.000 0.983 222 G CA -0.834 44.181 45.100 -0.141 0.000 0.804 222 G HN 0.072 nan 8.290 nan 0.000 0.531 223 F N 0.456 120.329 119.950 -0.130 0.000 2.650 223 F HA 0.544 5.124 4.527 0.088 0.000 0.320 223 F C 1.025 176.551 175.800 -0.457 0.000 1.091 223 F CA -0.954 56.794 58.000 -0.419 0.000 0.962 223 F CB 1.592 40.149 39.000 -0.737 0.000 1.363 223 F HN 0.349 nan 8.300 nan 0.000 0.482 224 D N 0.290 120.497 120.400 -0.321 0.000 2.277 224 D HA 0.198 4.891 4.640 0.088 0.000 0.208 224 D C 0.638 176.537 176.300 -0.668 0.000 0.962 224 D CA 0.867 54.558 54.000 -0.515 0.000 0.865 224 D CB 0.438 40.700 40.800 -0.896 0.000 0.939 224 D HN 0.596 nan 8.370 nan 0.000 0.510 225 G N -0.808 107.304 108.800 -1.147 0.000 2.660 225 G HA2 0.481 4.494 3.960 0.088 0.000 0.290 225 G HA3 0.481 4.494 3.960 0.088 0.000 0.290 225 G C -2.062 171.970 174.900 -1.447 0.000 1.432 225 G CA -0.729 43.352 45.100 -1.698 0.000 0.807 225 G HN -0.062 nan 8.290 nan 0.000 0.485 226 Y N -0.005 119.943 120.300 -0.586 0.000 2.329 226 Y HA 0.655 5.258 4.550 0.089 0.000 0.328 226 Y C 0.522 176.352 175.900 -0.116 0.000 0.992 226 Y CA -0.666 57.283 58.100 -0.252 0.000 1.151 226 Y CB 2.185 40.569 38.460 -0.127 0.000 1.150 226 Y HN 0.813 nan 8.280 nan 0.000 0.450 227 A N 2.319 125.146 122.820 0.011 0.000 2.304 227 A HA 0.710 5.083 4.320 0.088 0.000 0.301 227 A C -0.742 176.782 177.584 -0.100 0.000 1.132 227 A CA -0.673 51.334 52.037 -0.051 0.000 0.819 227 A CB 0.608 19.505 19.000 -0.172 0.000 1.094 227 A HN 0.536 nan 8.150 nan 0.000 0.492 228 V N 2.892 122.716 119.914 -0.149 0.000 2.339 228 V HA 0.464 4.637 4.120 0.088 0.000 0.261 228 V C 1.090 177.079 176.094 -0.176 0.000 1.058 228 V CA 0.180 62.400 62.300 -0.134 0.000 0.897 228 V CB 0.289 32.042 31.823 -0.116 0.000 1.052 228 V HN 1.063 nan 8.190 nan 0.000 0.480 229 G N 2.697 111.412 108.800 -0.142 0.000 2.547 229 G HA2 0.530 4.543 3.960 0.088 0.000 0.291 229 G HA3 0.530 4.543 3.960 0.088 0.000 0.291 229 G C 0.932 175.783 174.900 -0.080 0.000 1.211 229 G CA 0.065 45.082 45.100 -0.137 0.000 0.950 229 G HN 1.518 nan 8.290 nan 0.000 0.504 230 G N -1.461 107.311 108.800 -0.047 0.000 2.148 230 G HA2 -0.237 3.776 3.960 0.088 0.000 0.254 230 G HA3 -0.237 3.776 3.960 0.088 0.000 0.254 230 G C 0.691 175.576 174.900 -0.025 0.000 0.981 230 G CA 0.606 45.706 45.100 0.001 0.000 0.670 230 G HN 0.748 nan 8.290 nan 0.000 0.528 231 L N -0.368 120.819 121.223 -0.060 0.000 3.069 231 L HA 0.533 4.926 4.340 0.088 0.000 0.271 231 L C 1.576 178.399 176.870 -0.079 0.000 1.201 231 L CA 0.548 55.334 54.840 -0.090 0.000 1.015 231 L CB 0.719 42.725 42.059 -0.088 0.000 1.371 231 L HN 0.362 nan 8.230 nan 0.000 0.574 232 A N 0.740 123.535 122.820 -0.042 0.000 3.264 232 A HA 0.466 4.839 4.320 0.088 0.000 0.299 232 A C 0.723 178.327 177.584 0.034 0.000 1.272 232 A CA -0.004 52.028 52.037 -0.009 0.000 1.030 232 A CB -0.293 18.696 19.000 -0.019 0.000 1.102 232 A HN 0.136 nan 8.150 nan 0.000 0.615 233 V N -4.432 115.469 119.914 -0.023 0.000 3.265 233 V HA 0.641 4.814 4.120 0.088 0.000 0.346 233 V C 0.696 176.798 176.094 0.013 0.000 1.447 233 V CA 0.282 62.600 62.300 0.030 0.000 1.179 233 V CB -0.453 31.414 31.823 0.074 0.000 1.103 233 V HN 1.329 nan 8.190 nan 0.000 0.530 234 G N 1.567 110.328 108.800 -0.066 0.000 2.260 234 G HA2 -0.204 3.809 3.960 0.088 0.000 0.179 234 G HA3 -0.204 3.809 3.960 0.088 0.000 0.179 234 G C 0.810 175.618 174.900 -0.153 0.000 1.002 234 G CA 0.369 45.465 45.100 -0.007 0.000 0.677 234 G HN 0.694 nan 8.290 nan 0.000 0.486 235 E N 1.627 121.478 120.200 -0.580 0.000 2.371 235 E HA 0.376 4.779 4.350 0.088 0.000 0.194 235 E C 1.224 177.645 176.600 -0.298 0.000 1.012 235 E CA 1.360 57.301 56.400 -0.764 0.000 0.860 235 E CB -0.184 28.799 29.700 -1.195 0.000 0.811 235 E HN 1.968 nan 8.360 nan 0.000 0.502 236 G N 1.675 110.344 108.800 -0.217 0.000 2.716 236 G HA2 -0.308 3.705 3.960 0.088 0.000 0.686 236 G HA3 -0.308 3.705 3.960 0.088 0.000 0.686 236 G C 0.120 174.887 174.900 -0.221 0.000 1.337 236 G CA 0.101 45.104 45.100 -0.162 0.000 0.829 236 G HN 0.240 nan 8.290 nan 0.000 0.599 237 Q N -0.238 119.405 119.800 -0.263 0.000 2.084 237 Q HA -0.134 4.260 4.340 0.088 0.000 0.202 237 Q C 2.011 177.691 176.000 -0.534 0.000 0.978 237 Q CA 2.060 57.568 55.803 -0.492 0.000 0.844 237 Q CB -0.085 28.324 28.738 -0.549 0.000 0.898 237 Q HN 0.680 nan 8.270 nan 0.000 0.426 238 D N 0.235 120.458 120.400 -0.294 0.000 2.117 238 D HA -0.184 4.509 4.640 0.088 0.000 0.197 238 D C 1.726 177.972 176.300 -0.090 0.000 0.987 238 D CA 1.370 55.278 54.000 -0.153 0.000 0.829 238 D CB -0.117 40.639 40.800 -0.073 0.000 0.961 238 D HN 0.299 nan 8.370 nan 0.000 0.460 239 E N 0.238 120.368 120.200 -0.115 0.000 2.072 239 E HA -0.106 4.297 4.350 0.088 0.000 0.191 239 E C 2.004 178.531 176.600 -0.122 0.000 0.985 239 E CA 0.587 56.929 56.400 -0.096 0.000 0.801 239 E CB -0.226 29.409 29.700 -0.109 0.000 0.750 239 E HN 0.111 nan 8.360 nan 0.000 0.452 240 M N -0.410 119.090 119.600 -0.166 0.000 2.080 240 M HA -0.174 4.359 4.480 0.088 0.000 0.260 240 M C 1.399 177.726 176.300 0.046 0.000 1.068 240 M CA 1.541 56.775 55.300 -0.109 0.000 1.109 240 M CB -0.319 32.202 32.600 -0.132 0.000 1.342 240 M HN 0.167 nan 8.290 nan 0.000 0.405 241 F N 0.365 120.260 119.950 -0.091 0.000 2.134 241 F HA -0.140 4.439 4.527 0.088 0.000 0.299 241 F C 2.728 178.445 175.800 -0.139 0.000 1.097 241 F CA 1.398 59.350 58.000 -0.081 0.000 1.264 241 F CB -1.449 37.530 39.000 -0.035 0.000 1.001 241 F HN 0.306 nan 8.300 nan 0.000 0.479 242 R N 0.441 120.965 120.500 0.040 0.000 2.081 242 R HA -0.133 4.260 4.340 0.088 0.000 0.235 242 R C 2.086 178.151 176.300 -0.390 0.000 1.131 242 R CA 1.671 57.724 56.100 -0.078 0.000 0.960 242 R CB -0.421 29.874 30.300 -0.009 0.000 0.856 242 R HN 0.144 nan 8.270 nan 0.000 0.436 243 V N 1.413 121.063 119.914 -0.441 0.000 2.358 243 V HA -0.224 3.949 4.120 0.088 0.000 0.246 243 V C 2.401 178.024 176.094 -0.785 0.000 1.047 243 V CA 1.549 63.340 62.300 -0.850 0.000 1.035 243 V CB -0.392 31.208 31.823 -0.372 0.000 0.658 243 V HN 0.335 nan 8.190 nan 0.000 0.452 244 L N -0.167 120.849 121.223 -0.345 0.000 2.079 244 L HA -0.208 4.185 4.340 0.088 0.000 0.210 244 L C 2.427 179.156 176.870 -0.234 0.000 1.081 244 L CA 1.523 56.233 54.840 -0.215 0.000 0.752 244 L CB -0.822 41.201 42.059 -0.061 0.000 0.896 244 L HN 0.351 nan 8.230 nan 0.000 0.433 245 D N 0.363 120.615 120.400 -0.247 0.000 2.116 245 D HA -0.228 4.465 4.640 0.088 0.000 0.193 245 D C 1.894 178.154 176.300 -0.067 0.000 0.998 245 D CA 1.855 55.776 54.000 -0.132 0.000 0.836 245 D CB -0.208 40.550 40.800 -0.071 0.000 0.951 245 D HN 0.493 nan 8.370 nan 0.000 0.449 246 F N -0.409 119.542 119.950 0.001 0.000 2.619 246 F HA 0.345 4.926 4.527 0.089 0.000 0.293 246 F C 2.164 177.948 175.800 -0.026 0.000 1.119 246 F CA -0.072 57.924 58.000 -0.008 0.000 1.445 246 F CB -0.558 38.444 39.000 0.002 0.000 1.119 246 F HN -0.249 nan 8.300 nan 0.000 0.573 247 S N 0.978 116.693 115.700 0.025 0.000 2.388 247 S HA -0.035 4.489 4.470 0.088 0.000 0.223 247 S C 2.174 176.747 174.600 -0.046 0.000 1.034 247 S CA 1.114 59.356 58.200 0.070 0.000 0.963 247 S CB -0.427 62.748 63.200 -0.042 0.000 0.827 247 S HN 0.246 nan 8.310 nan 0.000 0.481 248 V N 2.722 122.571 119.914 -0.107 0.000 2.343 248 V HA -0.075 4.098 4.120 0.088 0.000 0.247 248 V C -0.913 175.062 176.094 -0.198 0.000 1.051 248 V CA 1.541 63.721 62.300 -0.199 0.000 1.036 248 V CB -1.878 29.851 31.823 -0.157 0.000 0.654 248 V HN 0.313 nan 8.190 nan 0.000 0.451 249 P HA -0.114 nan 4.420 nan 0.000 0.221 249 P C 1.759 179.022 177.300 -0.061 0.000 1.145 249 P CA 1.360 64.432 63.100 -0.047 0.000 0.795 249 P CB -0.139 31.565 31.700 0.007 0.000 0.775 250 M N -1.938 117.622 119.600 -0.067 0.000 2.394 250 M HA -0.036 4.497 4.480 0.088 0.000 0.264 250 M C 0.729 176.943 176.300 -0.144 0.000 1.073 250 M CA 0.892 56.151 55.300 -0.069 0.000 1.111 250 M CB -0.497 32.084 32.600 -0.032 0.000 1.401 250 M HN -0.090 nan 8.290 nan 0.000 0.448 251 L N 0.541 121.624 121.223 -0.233 0.000 2.418 251 L HA 0.277 4.671 4.340 0.088 0.000 0.265 251 L C -2.066 174.645 176.870 -0.266 0.000 1.143 251 L CA -2.234 52.388 54.840 -0.363 0.000 0.809 251 L CB -0.245 41.523 42.059 -0.485 0.000 1.124 251 L HN -0.227 nan 8.230 nan 0.000 0.456 252 P HA -0.044 nan 4.420 nan 0.000 0.264 252 P C -0.102 177.278 177.300 0.134 0.000 1.193 252 P CA 0.204 63.237 63.100 -0.112 0.000 0.763 252 P CB 0.566 32.170 31.700 -0.161 0.000 0.810 253 D N 2.486 122.967 120.400 0.135 0.000 2.144 253 D HA -0.187 4.507 4.640 0.088 0.000 0.199 253 D C 1.011 177.419 176.300 0.181 0.000 0.984 253 D CA 1.208 55.328 54.000 0.199 0.000 0.834 253 D CB -0.061 40.807 40.800 0.113 0.000 0.955 253 D HN 0.394 nan 8.370 nan 0.000 0.465 254 D N -0.762 119.738 120.400 0.166 0.000 2.319 254 D HA -0.015 4.678 4.640 0.088 0.000 0.230 254 D C -0.129 176.386 176.300 0.357 0.000 1.094 254 D CA 0.122 54.241 54.000 0.198 0.000 0.856 254 D CB 0.040 40.917 40.800 0.129 0.000 0.915 254 D HN 0.019 nan 8.370 nan 0.000 0.517 255 K N 0.657 121.233 120.400 0.293 0.000 2.340 255 K HA 0.482 4.855 4.320 0.088 0.000 0.244 255 K C -2.825 173.613 176.600 -0.271 0.000 0.973 255 K CA -2.335 54.065 56.287 0.189 0.000 0.828 255 K CB 1.552 34.219 32.500 0.279 0.000 1.226 255 K HN -0.115 nan 8.250 nan 0.000 0.437 256 P HA 0.074 nan 4.420 nan 0.000 0.269 256 P C -0.838 176.273 177.300 -0.316 0.000 1.209 256 P CA 0.160 62.752 63.100 -0.846 0.000 0.776 256 P CB 0.337 31.631 31.700 -0.677 0.000 0.876 257 H N 1.678 120.653 119.070 -0.158 0.000 2.587 257 H HA 0.294 4.903 4.556 0.089 0.000 0.325 257 H C -0.956 174.355 175.328 -0.029 0.000 1.012 257 H CA -0.378 55.632 56.048 -0.063 0.000 1.213 257 H CB 0.301 30.033 29.762 -0.049 0.000 1.431 257 H HN 0.371 nan 8.280 nan 0.000 0.492 258 Y N 4.380 124.671 120.300 -0.014 0.000 2.328 258 Y HA 0.332 4.935 4.550 0.089 0.000 0.333 258 Y C -1.400 174.424 175.900 -0.126 0.000 0.958 258 Y CA -1.664 56.386 58.100 -0.083 0.000 1.167 258 Y CB 0.752 39.265 38.460 0.087 0.000 1.151 258 Y HN 0.483 nan 8.280 nan 0.000 0.470 259 L N 7.754 128.872 121.223 -0.175 0.000 2.259 259 L HA 0.448 4.841 4.340 0.088 0.000 0.288 259 L C -0.652 176.040 176.870 -0.297 0.000 1.051 259 L CA -0.289 54.403 54.840 -0.247 0.000 0.824 259 L CB 0.254 42.235 42.059 -0.129 0.000 1.206 259 L HN 0.693 nan 8.230 nan 0.000 0.429 260 M N 5.089 124.360 119.600 -0.547 0.000 2.219 260 M HA 0.274 4.807 4.480 0.088 0.000 0.353 260 M C 1.363 177.525 176.300 -0.230 0.000 1.304 260 M CA 0.679 55.637 55.300 -0.570 0.000 1.115 260 M CB 0.475 32.692 32.600 -0.638 0.000 1.664 260 M HN 0.879 nan 8.290 nan 0.000 0.459 261 G N 2.452 111.191 108.800 -0.101 0.000 2.143 261 G HA2 -0.180 3.833 3.960 0.088 0.000 0.248 261 G HA3 -0.180 3.833 3.960 0.088 0.000 0.248 261 G C -0.274 174.675 174.900 0.081 0.000 0.991 261 G CA -0.165 44.909 45.100 -0.044 0.000 0.689 261 G HN 0.581 nan 8.290 nan 0.000 0.522 262 V N -0.107 119.921 119.914 0.190 0.000 2.459 262 V HA 0.947 5.120 4.120 0.088 0.000 0.295 262 V C 0.782 177.140 176.094 0.440 0.000 1.029 262 V CA 0.546 63.017 62.300 0.285 0.000 0.874 262 V CB 1.350 33.360 31.823 0.313 0.000 0.985 262 V HN 1.463 nan 8.190 nan 0.000 0.438 263 G N 4.000 113.004 108.800 0.340 0.000 2.392 263 G HA2 0.236 4.250 3.960 0.088 0.000 0.260 263 G HA3 0.236 4.250 3.960 0.088 0.000 0.260 263 G C -1.242 173.757 174.900 0.165 0.000 1.226 263 G CA -0.976 44.253 45.100 0.214 0.000 0.913 263 G HN 0.521 nan 8.290 nan 0.000 0.483 264 K N 0.984 121.455 120.400 0.118 0.000 2.276 264 K HA 0.223 4.596 4.320 0.088 0.000 0.259 264 K C -1.692 174.832 176.600 -0.127 0.000 1.001 264 K CA -0.972 55.359 56.287 0.073 0.000 0.927 264 K CB 1.227 33.837 32.500 0.183 0.000 0.969 264 K HN 0.015 nan 8.250 nan 0.000 0.490 265 P HA -0.264 nan 4.420 nan 0.000 0.216 265 P C 0.643 177.762 177.300 -0.302 0.000 1.157 265 P CA 1.612 64.399 63.100 -0.522 0.000 0.880 265 P CB 0.071 31.473 31.700 -0.497 0.000 0.791 266 D N -1.196 119.193 120.400 -0.018 0.000 2.178 266 D HA -0.166 4.527 4.640 0.088 0.000 0.202 266 D C 1.227 177.686 176.300 0.266 0.000 0.974 266 D CA 1.054 55.214 54.000 0.266 0.000 0.841 266 D CB -1.097 40.055 40.800 0.586 0.000 0.953 266 D HN 0.142 nan 8.370 nan 0.000 0.478 267 D N 1.128 121.643 120.400 0.191 0.000 2.123 267 D HA -0.098 4.595 4.640 0.088 0.000 0.196 267 D C 2.399 178.822 176.300 0.204 0.000 0.992 267 D CA 0.604 54.759 54.000 0.259 0.000 0.833 267 D CB -0.221 40.672 40.800 0.156 0.000 0.954 267 D HN 0.353 nan 8.370 nan 0.000 0.455 268 I N 0.523 121.028 120.570 -0.107 0.000 2.179 268 I HA -0.226 3.997 4.170 0.088 0.000 0.242 268 I C 2.480 178.473 176.117 -0.206 0.000 1.088 268 I CA 0.612 61.622 61.300 -0.483 0.000 1.357 268 I CB -0.223 37.285 38.000 -0.821 0.000 1.051 268 I HN -0.114 nan 8.210 nan 0.000 0.409 269 V N 1.123 120.956 119.914 -0.134 0.000 2.287 269 V HA -0.254 3.919 4.120 0.088 0.000 0.248 269 V C 2.574 178.743 176.094 0.127 0.000 1.053 269 V CA 2.324 64.642 62.300 0.031 0.000 1.027 269 V CB -1.456 30.308 31.823 -0.099 0.000 0.646 269 V HN 0.594 nan 8.190 nan 0.000 0.447 270 G N -0.837 108.005 108.800 0.069 0.000 2.422 270 G HA2 -0.126 3.887 3.960 0.088 0.000 0.218 270 G HA3 -0.126 3.887 3.960 0.088 0.000 0.218 270 G C 1.718 176.411 174.900 -0.344 0.000 1.140 270 G CA 0.949 45.874 45.100 -0.292 0.000 0.775 270 G HN 0.614 nan 8.290 nan 0.000 0.545 271 A N 0.232 123.064 122.820 0.020 0.000 1.898 271 A HA 0.135 4.508 4.320 0.088 0.000 0.216 271 A C 2.565 180.295 177.584 0.243 0.000 1.181 271 A CA 1.574 53.725 52.037 0.190 0.000 0.620 271 A CB -0.526 18.786 19.000 0.520 0.000 0.819 271 A HN 0.220 nan 8.150 nan 0.000 0.442 272 V N 0.358 120.472 119.914 0.332 0.000 2.332 272 V HA -0.283 3.891 4.120 0.088 0.000 0.248 272 V C 2.278 178.507 176.094 0.225 0.000 1.055 272 V CA 2.239 64.691 62.300 0.253 0.000 1.038 272 V CB -0.900 31.008 31.823 0.141 0.000 0.651 272 V HN 0.635 nan 8.190 nan 0.000 0.450 273 E N -0.274 120.110 120.200 0.307 0.000 2.267 273 E HA -0.195 4.208 4.350 0.088 0.000 0.197 273 E C 1.994 178.648 176.600 0.090 0.000 0.998 273 E CA 0.843 57.397 56.400 0.257 0.000 0.830 273 E CB -0.082 29.664 29.700 0.076 0.000 0.751 273 E HN 0.551 nan 8.360 nan 0.000 0.491 274 R N -1.136 119.384 120.500 0.035 0.000 2.432 274 R HA 0.150 4.543 4.340 0.088 0.000 0.260 274 R C 0.691 177.019 176.300 0.047 0.000 0.935 274 R CA 0.434 56.533 56.100 -0.001 0.000 1.080 274 R CB 1.222 31.470 30.300 -0.087 0.000 1.155 274 R HN 0.169 nan 8.270 nan 0.000 0.531 275 G N 0.947 109.807 108.800 0.100 0.000 2.148 275 G HA2 -0.177 3.836 3.960 0.088 0.000 0.203 275 G HA3 -0.177 3.836 3.960 0.088 0.000 0.203 275 G C -0.007 175.018 174.900 0.208 0.000 0.993 275 G CA -0.632 44.562 45.100 0.156 0.000 0.661 275 G HN 0.080 nan 8.290 nan 0.000 0.518 276 I N 1.364 122.010 120.570 0.126 0.000 2.472 276 I HA 0.327 4.550 4.170 0.088 0.000 0.290 276 I C 0.489 176.601 176.117 -0.009 0.000 1.016 276 I CA -0.306 61.008 61.300 0.024 0.000 1.348 276 I CB 1.226 39.154 38.000 -0.121 0.000 1.417 276 I HN 0.037 nan 8.210 nan 0.000 0.521 277 D N 4.805 125.149 120.400 -0.092 0.000 2.454 277 D HA 0.214 4.907 4.640 0.088 0.000 0.214 277 D C 0.268 176.515 176.300 -0.088 0.000 1.088 277 D CA 0.734 54.703 54.000 -0.053 0.000 0.855 277 D CB 1.087 41.829 40.800 -0.098 0.000 1.025 277 D HN 0.405 nan 8.370 nan 0.000 0.502 278 M N 0.099 119.528 119.600 -0.285 0.000 2.484 278 M HA 0.433 4.966 4.480 0.088 0.000 0.289 278 M C -1.584 174.477 176.300 -0.397 0.000 1.206 278 M CA -0.556 54.625 55.300 -0.199 0.000 0.892 278 M CB 3.063 35.552 32.600 -0.186 0.000 1.712 278 M HN -0.304 nan 8.290 nan 0.000 0.462 279 F N 0.371 120.406 119.950 0.142 0.000 2.613 279 F HA 0.598 5.178 4.527 0.088 0.000 0.310 279 F C -0.769 175.004 175.800 -0.046 0.000 1.085 279 F CA -0.731 57.395 58.000 0.209 0.000 0.945 279 F CB 1.970 41.175 39.000 0.342 0.000 1.298 279 F HN 0.551 nan 8.300 nan 0.000 0.455 280 D N 0.454 120.977 120.400 0.204 0.000 2.756 280 D HA 0.638 5.331 4.640 0.088 0.000 0.226 280 D C -1.442 174.924 176.300 0.110 0.000 1.186 280 D CA -0.531 53.377 54.000 -0.154 0.000 0.845 280 D CB 2.271 43.011 40.800 -0.100 0.000 1.610 280 D HN 0.785 nan 8.370 nan 0.000 0.465 281 C N -0.724 118.650 119.300 0.123 0.000 3.303 281 C HA 0.518 5.031 4.460 0.088 0.000 0.340 281 C C 1.047 176.116 174.990 0.132 0.000 1.274 281 C CA -0.291 58.835 59.018 0.180 0.000 1.234 281 C CB 0.595 28.473 27.740 0.229 0.000 1.532 281 C HN 0.621 nan 8.230 nan 0.000 0.483 282 V N 0.247 120.207 119.914 0.077 0.000 3.541 282 V HA 0.080 4.253 4.120 0.088 0.000 0.267 282 V C 1.773 177.893 176.094 0.043 0.000 1.213 282 V CA 1.282 63.610 62.300 0.047 0.000 1.149 282 V CB -0.751 31.098 31.823 0.043 0.000 0.822 282 V HN 0.953 nan 8.190 nan 0.000 0.462 283 L N 2.011 123.268 121.223 0.055 0.000 1.990 283 L HA -0.004 4.389 4.340 0.088 0.000 0.213 283 L C 0.279 177.189 176.870 0.068 0.000 1.072 283 L CA 2.838 57.731 54.840 0.089 0.000 0.755 283 L CB -1.425 40.721 42.059 0.144 0.000 0.889 283 L HN 0.308 nan 8.230 nan 0.000 0.432 284 P HA -0.125 nan 4.420 nan 0.000 0.218 284 P C 1.409 178.708 177.300 -0.003 0.000 1.149 284 P CA 2.224 65.248 63.100 -0.127 0.000 0.817 284 P CB -0.345 30.956 31.700 -0.664 0.000 0.785 285 T N -1.608 112.934 114.554 -0.021 0.000 2.706 285 T HA -0.057 4.347 4.350 0.088 0.000 0.255 285 T C 2.156 176.866 174.700 0.015 0.000 1.048 285 T CA 0.664 62.764 62.100 0.001 0.000 1.153 285 T CB -0.836 68.028 68.868 -0.008 0.000 0.865 285 T HN 0.003 nan 8.240 nan 0.000 0.414 286 R N 1.401 121.915 120.500 0.023 0.000 2.073 286 R HA -0.108 4.285 4.340 0.088 0.000 0.234 286 R C 2.849 179.166 176.300 0.027 0.000 1.134 286 R CA 1.944 58.059 56.100 0.025 0.000 0.952 286 R CB -0.524 29.798 30.300 0.035 0.000 0.850 286 R HN 0.580 nan 8.270 nan 0.000 0.433 287 S N -0.887 114.846 115.700 0.055 0.000 2.428 287 S HA -0.016 4.507 4.470 0.088 0.000 0.230 287 S C 2.063 176.663 174.600 0.001 0.000 1.014 287 S CA 0.864 59.089 58.200 0.040 0.000 0.957 287 S CB -0.268 62.986 63.200 0.089 0.000 0.784 287 S HN 0.512 nan 8.310 nan 0.000 0.499 288 G N 2.172 110.988 108.800 0.027 0.000 2.421 288 G HA2 -0.161 3.853 3.960 0.088 0.000 0.216 288 G HA3 -0.161 3.853 3.960 0.088 0.000 0.216 288 G C 1.721 176.603 174.900 -0.029 0.000 1.171 288 G CA 0.506 45.608 45.100 0.004 0.000 0.775 288 G HN 0.587 nan 8.290 nan 0.000 0.543 289 R N 0.032 120.519 120.500 -0.023 0.000 2.189 289 R HA -0.032 4.361 4.340 0.088 0.000 0.223 289 R C 1.889 178.159 176.300 -0.051 0.000 1.092 289 R CA 1.063 57.139 56.100 -0.040 0.000 0.989 289 R CB -0.223 30.058 30.300 -0.031 0.000 0.876 289 R HN 0.295 nan 8.270 nan 0.000 0.457 290 N N -0.216 118.458 118.700 -0.044 0.000 2.398 290 N HA -0.014 4.780 4.740 0.088 0.000 0.188 290 N C 0.684 176.155 175.510 -0.066 0.000 1.122 290 N CA 0.842 53.863 53.050 -0.048 0.000 0.866 290 N CB 0.710 39.179 38.487 -0.031 0.000 0.970 290 N HN 0.333 nan 8.380 nan 0.000 0.462 291 G N -0.207 108.544 108.800 -0.082 0.000 2.179 291 G HA2 -0.263 3.750 3.960 0.088 0.000 0.220 291 G HA3 -0.263 3.750 3.960 0.088 0.000 0.220 291 G C -0.112 174.707 174.900 -0.135 0.000 0.990 291 G CA 0.108 45.146 45.100 -0.103 0.000 0.646 291 G HN 0.548 nan 8.290 nan 0.000 0.517 292 Q N 0.739 120.448 119.800 -0.151 0.000 2.295 292 Q HA 0.653 5.047 4.340 0.088 0.000 0.259 292 Q C 0.104 175.903 176.000 -0.336 0.000 0.976 292 Q CA 0.253 55.900 55.803 -0.261 0.000 0.923 292 Q CB 0.795 29.360 28.738 -0.289 0.000 1.185 292 Q HN 0.852 nan 8.270 nan 0.000 0.410 293 A N 4.616 127.204 122.820 -0.386 0.000 2.303 293 A HA 0.557 4.930 4.320 0.088 0.000 0.320 293 A C -1.218 176.064 177.584 -0.503 0.000 1.192 293 A CA -0.616 51.238 52.037 -0.305 0.000 0.821 293 A CB 0.468 19.307 19.000 -0.269 0.000 1.188 293 A HN 0.749 nan 8.150 nan 0.000 0.492 294 F N 1.766 121.594 119.950 -0.204 0.000 2.443 294 F HA 0.500 5.078 4.527 0.085 0.000 0.353 294 F C 1.390 176.694 175.800 -0.828 0.000 1.101 294 F CA 0.868 58.518 58.000 -0.583 0.000 1.226 294 F CB 1.654 40.166 39.000 -0.813 0.000 1.140 294 F HN 0.666 nan 8.300 nan 0.000 0.557 295 T N -1.409 112.769 114.554 -0.626 0.000 2.841 295 T HA 0.260 4.663 4.350 0.088 0.000 0.296 295 T C 0.110 174.719 174.700 -0.152 0.000 1.166 295 T CA -0.910 60.951 62.100 -0.399 0.000 1.007 295 T CB 0.703 69.485 68.868 -0.143 0.000 1.253 295 T HN 0.575 nan 8.240 nan 0.000 0.511 296 W N 0.248 121.765 121.300 0.362 0.000 2.525 296 W HA 0.153 4.866 4.660 0.088 0.000 0.259 296 W C 1.109 177.702 176.519 0.123 0.000 1.253 296 W CA 0.086 57.670 57.345 0.398 0.000 1.262 296 W CB 0.154 29.802 29.460 0.313 0.000 1.122 296 W HN 0.638 nan 8.180 nan 0.000 0.607 297 D N -0.258 120.226 120.400 0.139 0.000 2.427 297 D HA 0.274 4.967 4.640 0.088 0.000 0.224 297 D C 1.045 177.151 176.300 -0.323 0.000 1.157 297 D CA 0.820 54.785 54.000 -0.060 0.000 0.828 297 D CB 0.100 40.894 40.800 -0.010 0.000 0.974 297 D HN 0.102 nan 8.370 nan 0.000 0.498 298 G N 2.399 110.818 108.800 -0.635 0.000 2.661 298 G HA2 -0.161 3.852 3.960 0.088 0.000 0.685 298 G HA3 -0.161 3.852 3.960 0.088 0.000 0.685 298 G C -2.987 171.566 174.900 -0.577 0.000 1.298 298 G CA -1.153 43.287 45.100 -1.101 0.000 0.855 298 G HN -0.097 nan 8.290 nan 0.000 0.560 299 P HA 0.539 nan 4.420 nan 0.000 0.275 299 P C 0.165 177.282 177.300 -0.305 0.000 1.228 299 P CA -0.129 62.710 63.100 -0.434 0.000 0.786 299 P CB 0.891 32.331 31.700 -0.434 0.000 0.927 300 I N -1.232 119.157 120.570 -0.301 0.000 2.740 300 I HA 0.554 4.777 4.170 0.088 0.000 0.303 300 I C -0.472 175.535 176.117 -0.184 0.000 1.044 300 I CA -1.060 60.137 61.300 -0.171 0.000 1.064 300 I CB 2.314 40.205 38.000 -0.182 0.000 1.249 300 I HN 0.095 nan 8.210 nan 0.000 0.433 301 N N 3.953 122.636 118.700 -0.029 0.000 2.501 301 N HA 0.227 5.020 4.740 0.088 0.000 0.245 301 N C 0.319 175.860 175.510 0.052 0.000 0.974 301 N CA -0.381 52.649 53.050 -0.032 0.000 0.941 301 N CB 1.649 40.138 38.487 0.003 0.000 1.122 301 N HN 0.850 nan 8.380 nan 0.000 0.507 302 I N 4.416 124.910 120.570 -0.127 0.000 2.700 302 I HA -0.084 4.139 4.170 0.088 0.000 0.261 302 I C 1.941 178.183 176.117 0.209 0.000 1.219 302 I CA 0.970 62.184 61.300 -0.144 0.000 1.463 302 I CB 0.021 37.881 38.000 -0.233 0.000 1.092 302 I HN 0.487 nan 8.210 nan 0.000 0.452 303 R N 0.290 120.864 120.500 0.124 0.000 2.189 303 R HA -0.080 4.313 4.340 0.088 0.000 0.223 303 R C 1.005 177.488 176.300 0.305 0.000 1.092 303 R CA 0.124 56.294 56.100 0.117 0.000 0.989 303 R CB -0.661 29.641 30.300 0.003 0.000 0.876 303 R HN 0.370 nan 8.270 nan 0.000 0.457 304 N N 1.164 120.071 118.700 0.344 0.000 2.412 304 N HA -0.079 4.714 4.740 0.088 0.000 0.258 304 N C 0.800 176.413 175.510 0.171 0.000 1.236 304 N CA 0.404 53.580 53.050 0.210 0.000 0.882 304 N CB 1.098 39.657 38.487 0.120 0.000 1.066 304 N HN 0.121 nan 8.380 nan 0.000 0.465 305 A N 5.007 127.870 122.820 0.071 0.000 2.032 305 A HA -0.226 4.147 4.320 0.088 0.000 0.221 305 A C 2.008 179.459 177.584 -0.221 0.000 1.165 305 A CA 1.738 53.766 52.037 -0.016 0.000 0.645 305 A CB -0.406 18.591 19.000 -0.005 0.000 0.807 305 A HN 0.915 nan 8.150 nan 0.000 0.453 306 R N -1.880 118.422 120.500 -0.330 0.000 2.293 306 R HA -0.050 4.343 4.340 0.088 0.000 0.219 306 R C 0.696 176.649 176.300 -0.579 0.000 1.091 306 R CA 1.524 57.339 56.100 -0.475 0.000 1.004 306 R CB -0.533 29.414 30.300 -0.588 0.000 0.865 306 R HN 0.399 nan 8.270 nan 0.000 0.469 307 F N 1.526 121.329 119.950 -0.245 0.000 2.765 307 F HA 0.161 4.743 4.527 0.092 0.000 0.302 307 F C 2.239 177.785 175.800 -0.424 0.000 1.111 307 F CA 0.281 58.123 58.000 -0.263 0.000 1.359 307 F CB 0.383 39.293 39.000 -0.150 0.000 1.097 307 F HN 0.145 nan 8.300 nan 0.000 0.577 308 S N -0.158 115.248 115.700 -0.491 0.000 2.442 308 S HA -0.141 4.382 4.470 0.088 0.000 0.236 308 S C 1.160 175.706 174.600 -0.089 0.000 1.007 308 S CA 1.261 59.208 58.200 -0.422 0.000 0.965 308 S CB -0.316 62.720 63.200 -0.275 0.000 0.773 308 S HN 0.543 nan 8.310 nan 0.000 0.504 309 E N 0.543 120.705 120.200 -0.063 0.000 2.812 309 E HA 0.197 4.600 4.350 0.088 0.000 0.211 309 E C -1.106 175.506 176.600 0.019 0.000 0.986 309 E CA -0.252 56.145 56.400 -0.005 0.000 1.119 309 E CB 0.438 30.130 29.700 -0.015 0.000 1.046 309 E HN 0.340 nan 8.360 nan 0.000 0.474 310 D N 1.187 121.616 120.400 0.047 0.000 2.339 310 D HA 0.099 4.792 4.640 0.088 0.000 0.241 310 D C 0.666 177.021 176.300 0.092 0.000 1.183 310 D CA -0.119 53.932 54.000 0.084 0.000 0.859 310 D CB 1.017 41.922 40.800 0.176 0.000 1.067 310 D HN 0.146 nan 8.370 nan 0.000 0.484 311 L N 3.048 124.311 121.223 0.067 0.000 2.591 311 L HA 0.080 4.474 4.340 0.088 0.000 0.228 311 L C 1.250 178.156 176.870 0.061 0.000 1.133 311 L CA 0.209 55.087 54.840 0.064 0.000 0.880 311 L CB -0.085 42.000 42.059 0.043 0.000 1.033 311 L HN 0.151 nan 8.230 nan 0.000 0.450 312 K N 1.424 121.861 120.400 0.063 0.000 2.319 312 K HA 0.154 4.527 4.320 0.088 0.000 0.265 312 K C -2.136 174.491 176.600 0.046 0.000 1.000 312 K CA -1.647 54.671 56.287 0.052 0.000 0.943 312 K CB 0.056 32.590 32.500 0.056 0.000 0.950 312 K HN -0.156 nan 8.250 nan 0.000 0.485 313 P HA -0.022 nan 4.420 nan 0.000 0.273 313 P C 0.772 178.043 177.300 -0.047 0.000 1.250 313 P CA -0.066 63.046 63.100 0.019 0.000 0.793 313 P CB 0.547 32.268 31.700 0.035 0.000 1.011 314 L N -0.949 120.190 121.223 -0.139 0.000 2.021 314 L HA -0.133 4.260 4.340 0.088 0.000 0.215 314 L C 1.444 178.186 176.870 -0.214 0.000 1.074 314 L CA 1.771 56.427 54.840 -0.307 0.000 0.760 314 L CB -0.444 41.230 42.059 -0.640 0.000 0.889 314 L HN 0.522 nan 8.230 nan 0.000 0.433 315 D N -1.633 118.712 120.400 -0.092 0.000 2.879 315 D HA 0.088 4.781 4.640 0.088 0.000 0.236 315 D C 0.637 177.014 176.300 0.128 0.000 1.171 315 D CA 0.258 54.304 54.000 0.077 0.000 0.868 315 D CB 2.006 42.944 40.800 0.231 0.000 1.598 315 D HN -0.024 nan 8.370 nan 0.000 0.497 316 S N 2.463 118.250 115.700 0.144 0.000 2.447 316 S HA -0.084 4.439 4.470 0.088 0.000 0.233 316 S C 0.998 175.664 174.600 0.109 0.000 1.006 316 S CA 0.898 59.165 58.200 0.112 0.000 0.957 316 S CB 0.032 63.294 63.200 0.102 0.000 0.773 316 S HN 0.606 nan 8.310 nan 0.000 0.507 317 E N -0.445 119.861 120.200 0.177 0.000 2.434 317 E HA 0.201 4.604 4.350 0.088 0.000 0.207 317 E C 0.434 177.017 176.600 -0.028 0.000 0.929 317 E CA -0.254 56.195 56.400 0.082 0.000 1.001 317 E CB 0.453 30.231 29.700 0.129 0.000 1.016 317 E HN 0.486 nan 8.360 nan 0.000 0.502 318 C N 2.912 122.326 119.300 0.190 0.000 2.465 318 C HA -0.082 4.431 4.460 0.088 0.000 0.402 318 C C 1.468 176.467 174.990 0.015 0.000 1.448 318 C CA 0.057 59.202 59.018 0.211 0.000 1.589 318 C CB -0.434 27.546 27.740 0.399 0.000 2.535 318 C HN 0.437 nan 8.230 nan 0.000 0.600 319 H N 3.968 123.174 119.070 0.225 0.000 2.539 319 H HA 0.093 4.700 4.556 0.085 0.000 0.269 319 H C 1.415 176.836 175.328 0.156 0.000 0.980 319 H CA 0.617 56.761 56.048 0.160 0.000 1.152 319 H CB -0.596 29.241 29.762 0.125 0.000 1.407 319 H HN 0.897 nan 8.280 nan 0.000 0.564 320 C N 0.167 119.632 119.300 0.275 0.000 2.649 320 C HA 0.536 5.049 4.460 0.088 0.000 0.377 320 C C 2.243 177.367 174.990 0.223 0.000 1.321 320 C CA 0.023 59.189 59.018 0.247 0.000 2.368 320 C CB 0.731 28.633 27.740 0.270 0.000 2.597 320 C HN 0.431 nan 8.230 nan 0.000 0.678 321 A N 1.794 124.741 122.820 0.211 0.000 2.015 321 A HA 0.025 4.398 4.320 0.088 0.000 0.219 321 A C 2.040 179.779 177.584 0.258 0.000 1.163 321 A CA 1.927 54.079 52.037 0.192 0.000 0.646 321 A CB -0.799 18.323 19.000 0.203 0.000 0.806 321 A HN 1.014 nan 8.150 nan 0.000 0.448 322 V N -1.060 119.069 119.914 0.359 0.000 2.307 322 V HA -0.293 3.880 4.120 0.088 0.000 0.245 322 V C 2.499 178.807 176.094 0.356 0.000 1.045 322 V CA 2.037 64.641 62.300 0.506 0.000 1.024 322 V CB -1.072 30.986 31.823 0.391 0.000 0.651 322 V HN 0.684 nan 8.190 nan 0.000 0.449 323 C N -0.338 119.109 119.300 0.245 0.000 2.448 323 C HA -0.057 4.456 4.460 0.088 0.000 0.280 323 C C 2.732 177.777 174.990 0.091 0.000 1.398 323 C CA 0.228 59.339 59.018 0.154 0.000 1.774 323 C CB -0.957 26.883 27.740 0.166 0.000 1.888 323 C HN 0.547 nan 8.230 nan 0.000 0.519 324 Q N 0.903 120.746 119.800 0.071 0.000 2.230 324 Q HA -0.022 4.372 4.340 0.088 0.000 0.202 324 Q C 1.871 177.800 176.000 -0.119 0.000 0.963 324 Q CA 1.239 57.038 55.803 -0.006 0.000 0.866 324 Q CB -0.141 28.601 28.738 0.005 0.000 0.931 324 Q HN 0.676 nan 8.270 nan 0.000 0.452 325 K N -2.118 118.148 120.400 -0.223 0.000 2.424 325 K HA 0.117 4.490 4.320 0.088 0.000 0.198 325 K C 0.188 176.417 176.600 -0.618 0.000 1.190 325 K CA 0.085 56.006 56.287 -0.610 0.000 0.935 325 K CB 1.062 32.764 32.500 -1.329 0.000 1.087 325 K HN 0.016 nan 8.250 nan 0.000 0.524 326 W N 1.931 123.262 121.300 0.051 0.000 2.864 326 W HA 0.322 5.008 4.660 0.043 0.000 0.343 326 W C 0.129 176.694 176.519 0.075 0.000 1.109 326 W CA -1.013 56.378 57.345 0.076 0.000 1.192 326 W CB 1.470 31.046 29.460 0.192 0.000 1.426 326 W HN -0.122 nan 8.180 nan 0.000 0.529 327 S N 0.770 116.662 115.700 0.321 0.000 2.632 327 S HA 0.368 4.892 4.470 0.088 0.000 0.271 327 S C 1.020 175.741 174.600 0.202 0.000 1.260 327 S CA -0.500 57.825 58.200 0.208 0.000 1.010 327 S CB 2.022 65.324 63.200 0.170 0.000 0.965 327 S HN 0.494 nan 8.310 nan 0.000 0.534 328 R N 1.058 121.618 120.500 0.101 0.000 2.103 328 R HA -0.167 4.226 4.340 0.088 0.000 0.242 328 R C 2.557 178.939 176.300 0.137 0.000 1.142 328 R CA 1.712 57.836 56.100 0.039 0.000 0.960 328 R CB -1.096 29.203 30.300 -0.002 0.000 0.858 328 R HN 0.852 nan 8.270 nan 0.000 0.439 329 A N 0.231 123.157 122.820 0.177 0.000 1.908 329 A HA -0.236 4.138 4.320 0.088 0.000 0.218 329 A C 2.002 179.763 177.584 0.295 0.000 1.181 329 A CA 1.409 53.567 52.037 0.201 0.000 0.627 329 A CB -0.732 18.360 19.000 0.152 0.000 0.818 329 A HN 0.473 nan 8.150 nan 0.000 0.445 330 Y N 0.425 120.823 120.300 0.163 0.000 2.163 330 Y HA -0.122 4.477 4.550 0.080 0.000 0.288 330 Y C 1.982 177.974 175.900 0.152 0.000 1.136 330 Y CA 1.549 59.757 58.100 0.179 0.000 1.147 330 Y CB -0.296 38.281 38.460 0.194 0.000 0.987 330 Y HN 0.264 nan 8.280 nan 0.000 0.509 331 I N -0.587 120.000 120.570 0.029 0.000 2.315 331 I HA -0.314 3.909 4.170 0.088 0.000 0.248 331 I C 2.416 178.468 176.117 -0.109 0.000 1.117 331 I CA 1.720 62.934 61.300 -0.144 0.000 1.404 331 I CB -0.631 37.322 38.000 -0.078 0.000 1.071 331 I HN 0.294 nan 8.210 nan 0.000 0.419 332 H N 0.569 119.599 119.070 -0.067 0.000 2.289 332 H HA -0.332 4.277 4.556 0.088 0.000 0.296 332 H C 2.380 177.687 175.328 -0.034 0.000 1.091 332 H CA 2.598 58.635 56.048 -0.019 0.000 1.274 332 H CB -0.266 29.548 29.762 0.086 0.000 1.364 332 H HN 0.433 nan 8.280 nan 0.000 0.490 333 H N -0.171 118.877 119.070 -0.036 0.000 2.319 333 H HA -0.103 4.504 4.556 0.086 0.000 0.299 333 H C 2.285 177.475 175.328 -0.230 0.000 1.092 333 H CA 2.178 58.161 56.048 -0.109 0.000 1.302 333 H CB -0.479 29.284 29.762 0.001 0.000 1.373 333 H HN 0.417 nan 8.280 nan 0.000 0.497 334 L N -0.151 120.746 121.223 -0.543 0.000 2.017 334 L HA -0.171 4.222 4.340 0.088 0.000 0.208 334 L C 2.409 179.031 176.870 -0.414 0.000 1.073 334 L CA 0.932 55.427 54.840 -0.574 0.000 0.745 334 L CB -0.389 41.345 42.059 -0.542 0.000 0.894 334 L HN 0.379 nan 8.230 nan 0.000 0.432 335 I N -0.478 119.893 120.570 -0.333 0.000 2.252 335 I HA -0.202 4.021 4.170 0.088 0.000 0.245 335 I C 2.741 178.700 176.117 -0.264 0.000 1.102 335 I CA 1.264 62.410 61.300 -0.257 0.000 1.385 335 I CB -1.036 36.840 38.000 -0.206 0.000 1.064 335 I HN 0.316 nan 8.210 nan 0.000 0.414 336 R N 0.927 121.225 120.500 -0.337 0.000 2.105 336 R HA -0.090 4.303 4.340 0.088 0.000 0.239 336 R C 2.043 178.198 176.300 -0.240 0.000 1.135 336 R CA 1.492 57.416 56.100 -0.295 0.000 0.967 336 R CB -0.499 29.580 30.300 -0.368 0.000 0.861 336 R HN 0.344 nan 8.270 nan 0.000 0.442 337 A N -0.237 122.392 122.820 -0.317 0.000 2.208 337 A HA 0.202 4.576 4.320 0.088 0.000 0.209 337 A C 1.366 178.830 177.584 -0.200 0.000 1.161 337 A CA 0.911 52.785 52.037 -0.272 0.000 0.782 337 A CB -0.065 18.683 19.000 -0.420 0.000 0.816 337 A HN 0.446 nan 8.150 nan 0.000 0.477 338 G N -0.650 108.034 108.800 -0.193 0.000 2.143 338 G HA2 -0.209 3.804 3.960 0.088 0.000 0.248 338 G HA3 -0.209 3.804 3.960 0.088 0.000 0.248 338 G C -0.171 174.645 174.900 -0.141 0.000 0.991 338 G CA 0.294 45.309 45.100 -0.142 0.000 0.689 338 G HN 0.478 nan 8.290 nan 0.000 0.522 339 E N -0.518 119.571 120.200 -0.185 0.000 2.331 339 E HA 0.396 4.799 4.350 0.088 0.000 0.272 339 E C 1.796 178.310 176.600 -0.143 0.000 1.036 339 E CA -0.613 55.690 56.400 -0.162 0.000 0.864 339 E CB 0.813 30.388 29.700 -0.208 0.000 1.035 339 E HN 0.264 nan 8.360 nan 0.000 0.408 340 I N 2.068 122.574 120.570 -0.106 0.000 2.264 340 I HA -0.301 3.922 4.170 0.088 0.000 0.248 340 I C 2.200 178.251 176.117 -0.110 0.000 1.111 340 I CA 0.755 62.001 61.300 -0.090 0.000 1.382 340 I CB -0.169 37.794 38.000 -0.062 0.000 1.060 340 I HN 0.403 nan 8.210 nan 0.000 0.418 341 L N 1.080 122.225 121.223 -0.130 0.000 2.191 341 L HA -0.081 4.312 4.340 0.088 0.000 0.212 341 L C 2.264 179.004 176.870 -0.218 0.000 1.103 341 L CA 1.944 56.684 54.840 -0.166 0.000 0.769 341 L CB -1.091 40.866 42.059 -0.171 0.000 0.908 341 L HN 0.184 nan 8.230 nan 0.000 0.438 342 G N -1.055 107.606 108.800 -0.231 0.000 2.418 342 G HA2 -0.253 3.760 3.960 0.088 0.000 0.217 342 G HA3 -0.253 3.760 3.960 0.088 0.000 0.217 342 G C 1.617 176.421 174.900 -0.160 0.000 1.158 342 G CA 0.748 45.708 45.100 -0.234 0.000 0.771 342 G HN 0.602 nan 8.290 nan 0.000 0.545 343 A N 0.641 123.385 122.820 -0.127 0.000 1.902 343 A HA -0.005 4.369 4.320 0.088 0.000 0.217 343 A C 2.476 180.020 177.584 -0.068 0.000 1.181 343 A CA 1.916 53.901 52.037 -0.085 0.000 0.623 343 A CB -0.384 18.574 19.000 -0.070 0.000 0.818 343 A HN 0.389 nan 8.150 nan 0.000 0.443 344 M N -0.645 118.907 119.600 -0.080 0.000 2.080 344 M HA -0.127 4.406 4.480 0.088 0.000 0.260 344 M C 2.114 178.385 176.300 -0.048 0.000 1.068 344 M CA 1.502 56.767 55.300 -0.059 0.000 1.109 344 M CB -0.486 32.070 32.600 -0.073 0.000 1.342 344 M HN 0.368 nan 8.290 nan 0.000 0.405 345 L N -0.822 120.340 121.223 -0.101 0.000 2.072 345 L HA -0.171 4.222 4.340 0.088 0.000 0.205 345 L C 2.686 179.568 176.870 0.019 0.000 1.079 345 L CA 0.739 55.536 54.840 -0.073 0.000 0.752 345 L CB -0.555 41.384 42.059 -0.200 0.000 0.906 345 L HN 0.370 nan 8.230 nan 0.000 0.436 346 M N -0.556 119.033 119.600 -0.018 0.000 2.117 346 M HA -0.166 4.367 4.480 0.088 0.000 0.262 346 M C 2.342 178.690 176.300 0.080 0.000 1.065 346 M CA 1.892 57.206 55.300 0.024 0.000 1.114 346 M CB -1.377 31.204 32.600 -0.032 0.000 1.361 346 M HN 0.245 nan 8.290 nan 0.000 0.408 347 T N -0.117 114.462 114.554 0.041 0.000 2.777 347 T HA -0.168 4.235 4.350 0.088 0.000 0.266 347 T C 1.757 176.498 174.700 0.068 0.000 1.040 347 T CA 1.589 63.715 62.100 0.045 0.000 1.141 347 T CB -0.191 68.686 68.868 0.015 0.000 0.868 347 T HN 0.479 nan 8.240 nan 0.000 0.444 348 E N 0.299 120.550 120.200 0.085 0.000 2.051 348 E HA -0.268 4.135 4.350 0.088 0.000 0.192 348 E C 2.098 178.785 176.600 0.145 0.000 0.991 348 E CA 1.501 57.968 56.400 0.113 0.000 0.799 348 E CB -0.157 29.620 29.700 0.128 0.000 0.748 348 E HN 0.683 nan 8.360 nan 0.000 0.449 349 H N 0.414 119.550 119.070 0.110 0.000 2.319 349 H HA -0.086 4.520 4.556 0.084 0.000 0.299 349 H C 1.877 177.310 175.328 0.175 0.000 1.092 349 H CA 2.347 58.479 56.048 0.139 0.000 1.302 349 H CB -0.096 29.728 29.762 0.104 0.000 1.373 349 H HN 0.136 nan 8.280 nan 0.000 0.497 350 N N 0.214 118.921 118.700 0.012 0.000 2.188 350 N HA -0.101 4.692 4.740 0.088 0.000 0.184 350 N C 1.892 177.421 175.510 0.032 0.000 1.018 350 N CA 1.127 54.203 53.050 0.044 0.000 0.858 350 N CB -0.085 38.521 38.487 0.198 0.000 0.989 350 N HN 0.384 nan 8.380 nan 0.000 0.426 351 I N 1.103 121.679 120.570 0.009 0.000 2.315 351 I HA -0.122 4.101 4.170 0.088 0.000 0.248 351 I C 2.202 178.359 176.117 0.067 0.000 1.117 351 I CA 0.584 61.896 61.300 0.020 0.000 1.404 351 I CB -1.314 36.716 38.000 0.049 0.000 1.071 351 I HN 0.001 nan 8.210 nan 0.000 0.419 352 A N 0.704 123.557 122.820 0.055 0.000 1.902 352 A HA -0.272 4.101 4.320 0.088 0.000 0.217 352 A C 2.313 179.918 177.584 0.036 0.000 1.181 352 A CA 1.447 53.524 52.037 0.067 0.000 0.623 352 A CB -1.102 17.957 19.000 0.098 0.000 0.818 352 A HN 0.381 nan 8.150 nan 0.000 0.443 353 F N -0.768 119.066 119.950 -0.193 0.000 2.069 353 F HA -0.237 4.341 4.527 0.084 0.000 0.298 353 F C 2.157 177.850 175.800 -0.178 0.000 1.113 353 F CA 2.052 59.908 58.000 -0.239 0.000 1.214 353 F CB -0.462 38.300 39.000 -0.396 0.000 0.978 353 F HN 0.294 nan 8.300 nan 0.000 0.474 354 Y N 0.818 120.989 120.300 -0.216 0.000 2.165 354 Y HA -0.269 4.334 4.550 0.088 0.000 0.286 354 Y C 2.615 178.338 175.900 -0.295 0.000 1.155 354 Y CA 1.829 59.681 58.100 -0.413 0.000 1.164 354 Y CB -0.831 37.205 38.460 -0.707 0.000 0.978 354 Y HN 0.180 nan 8.280 nan 0.000 0.513 355 Q N -0.099 119.708 119.800 0.010 0.000 2.123 355 Q HA -0.185 4.208 4.340 0.088 0.000 0.199 355 Q C 2.148 178.139 176.000 -0.016 0.000 0.966 355 Q CA 1.287 57.115 55.803 0.042 0.000 0.845 355 Q CB -0.451 28.346 28.738 0.098 0.000 0.907 355 Q HN 0.620 nan 8.270 nan 0.000 0.439 356 Q N 0.218 119.993 119.800 -0.041 0.000 2.124 356 Q HA -0.141 4.252 4.340 0.088 0.000 0.202 356 Q C 2.107 178.100 176.000 -0.012 0.000 0.977 356 Q CA 0.872 56.682 55.803 0.011 0.000 0.850 356 Q CB -0.146 28.657 28.738 0.108 0.000 0.901 356 Q HN 0.190 nan 8.270 nan 0.000 0.429 357 L N 0.075 121.192 121.223 -0.177 0.000 2.017 357 L HA -0.205 4.188 4.340 0.088 0.000 0.208 357 L C 1.978 178.753 176.870 -0.157 0.000 1.073 357 L CA 1.734 56.492 54.840 -0.136 0.000 0.745 357 L CB -0.312 41.458 42.059 -0.481 0.000 0.894 357 L HN 0.220 nan 8.230 nan 0.000 0.432 358 M N -1.037 118.474 119.600 -0.148 0.000 2.175 358 M HA -0.164 4.370 4.480 0.088 0.000 0.264 358 M C 2.325 178.562 176.300 -0.105 0.000 1.063 358 M CA 1.549 56.792 55.300 -0.096 0.000 1.119 358 M CB -1.460 31.146 32.600 0.010 0.000 1.377 358 M HN 0.401 nan 8.290 nan 0.000 0.415 359 Q N 0.995 120.744 119.800 -0.085 0.000 2.084 359 Q HA -0.107 4.286 4.340 0.088 0.000 0.202 359 Q C 1.889 177.784 176.000 -0.175 0.000 0.978 359 Q CA 1.808 57.554 55.803 -0.094 0.000 0.844 359 Q CB -0.102 28.605 28.738 -0.053 0.000 0.898 359 Q HN 0.462 nan 8.270 nan 0.000 0.426 360 K N -0.317 119.941 120.400 -0.236 0.000 2.097 360 K HA -0.085 4.288 4.320 0.088 0.000 0.206 360 K C 2.083 178.273 176.600 -0.683 0.000 1.049 360 K CA 1.367 57.379 56.287 -0.458 0.000 0.933 360 K CB -0.167 32.012 32.500 -0.535 0.000 0.717 360 K HN 0.278 nan 8.250 nan 0.000 0.442 361 I N 0.833 121.082 120.570 -0.534 0.000 2.142 361 I HA -0.298 3.925 4.170 0.088 0.000 0.240 361 I C 2.442 178.346 176.117 -0.356 0.000 1.078 361 I CA 1.312 62.357 61.300 -0.426 0.000 1.343 361 I CB -0.227 37.609 38.000 -0.274 0.000 1.046 361 I HN 0.137 nan 8.210 nan 0.000 0.405 362 R N 0.626 120.975 120.500 -0.252 0.000 2.083 362 R HA -0.191 4.202 4.340 0.088 0.000 0.237 362 R C 1.970 178.171 176.300 -0.164 0.000 1.137 362 R CA 1.849 57.839 56.100 -0.183 0.000 0.951 362 R CB -0.508 29.724 30.300 -0.114 0.000 0.851 362 R HN 0.371 nan 8.270 nan 0.000 0.434 363 D N 0.139 120.438 120.400 -0.169 0.000 2.117 363 D HA -0.128 4.566 4.640 0.088 0.000 0.197 363 D C 2.080 178.313 176.300 -0.111 0.000 0.987 363 D CA 1.839 55.761 54.000 -0.130 0.000 0.829 363 D CB -0.258 40.463 40.800 -0.131 0.000 0.961 363 D HN 0.240 nan 8.370 nan 0.000 0.460 364 S N 0.202 115.812 115.700 -0.149 0.000 2.383 364 S HA -0.087 4.437 4.470 0.088 0.000 0.227 364 S C 2.256 176.878 174.600 0.037 0.000 1.026 364 S CA 0.456 58.636 58.200 -0.035 0.000 0.981 364 S CB -0.577 62.626 63.200 0.005 0.000 0.818 364 S HN 0.237 nan 8.310 nan 0.000 0.472 365 I N 1.977 122.520 120.570 -0.045 0.000 2.202 365 I HA -0.137 4.086 4.170 0.088 0.000 0.242 365 I C 2.729 178.828 176.117 -0.029 0.000 1.091 365 I CA 1.255 62.529 61.300 -0.043 0.000 1.368 365 I CB -0.615 37.270 38.000 -0.192 0.000 1.058 365 I HN 0.285 nan 8.210 nan 0.000 0.410 366 S N 0.222 115.888 115.700 -0.056 0.000 2.400 366 S HA -0.208 4.315 4.470 0.088 0.000 0.232 366 S C 1.627 176.214 174.600 -0.022 0.000 1.025 366 S CA 1.383 59.557 58.200 -0.043 0.000 0.993 366 S CB -0.313 62.854 63.200 -0.054 0.000 0.808 366 S HN 0.496 nan 8.310 nan 0.000 0.478 367 E N -0.193 120.000 120.200 -0.011 0.000 2.474 367 E HA 0.257 4.660 4.350 0.088 0.000 0.195 367 E C 1.057 177.671 176.600 0.023 0.000 1.039 367 E CA 0.153 56.554 56.400 0.002 0.000 0.881 367 E CB 0.222 29.922 29.700 -0.001 0.000 0.970 367 E HN 0.492 nan 8.360 nan 0.000 0.486 368 G N 2.933 111.755 108.800 0.038 0.000 2.179 368 G HA2 -0.351 3.662 3.960 0.088 0.000 0.257 368 G HA3 -0.351 3.662 3.960 0.088 0.000 0.257 368 G C 0.615 175.563 174.900 0.080 0.000 1.010 368 G CA 0.745 45.879 45.100 0.057 0.000 0.736 368 G HN 0.428 nan 8.290 nan 0.000 0.513 369 R N -1.438 119.125 120.500 0.105 0.000 2.659 369 R HA 0.487 4.880 4.340 0.088 0.000 0.418 369 R C 1.307 177.722 176.300 0.192 0.000 1.076 369 R CA -0.195 55.973 56.100 0.114 0.000 1.093 369 R CB -0.177 30.174 30.300 0.085 0.000 1.400 369 R HN 0.240 nan 8.270 nan 0.000 0.583 370 F N 1.671 121.662 119.950 0.069 0.000 2.206 370 F HA -0.020 4.560 4.527 0.088 0.000 0.298 370 F C 2.245 178.136 175.800 0.152 0.000 1.090 370 F CA 1.465 59.537 58.000 0.120 0.000 1.323 370 F CB 0.011 39.050 39.000 0.065 0.000 1.028 370 F HN 0.179 nan 8.300 nan 0.000 0.492 371 S N -0.335 115.298 115.700 -0.113 0.000 2.382 371 S HA -0.265 4.258 4.470 0.088 0.000 0.228 371 S C 2.107 176.611 174.600 -0.159 0.000 1.027 371 S CA 1.570 59.630 58.200 -0.232 0.000 0.991 371 S CB -0.515 62.637 63.200 -0.081 0.000 0.823 371 S HN 0.576 nan 8.310 nan 0.000 0.469 372 Q N 0.200 119.975 119.800 -0.041 0.000 2.119 372 Q HA -0.019 4.374 4.340 0.088 0.000 0.201 372 Q C 1.735 177.733 176.000 -0.003 0.000 0.972 372 Q CA 1.822 57.619 55.803 -0.011 0.000 0.847 372 Q CB -0.786 27.970 28.738 0.031 0.000 0.903 372 Q HN 0.680 nan 8.270 nan 0.000 0.433 373 F N 0.304 120.214 119.950 -0.066 0.000 2.095 373 F HA -0.135 4.445 4.527 0.088 0.000 0.298 373 F C 1.870 177.655 175.800 -0.025 0.000 1.104 373 F CA 1.730 59.718 58.000 -0.020 0.000 1.232 373 F CB -0.695 38.338 39.000 0.055 0.000 0.987 373 F HN 0.130 nan 8.300 nan 0.000 0.475 374 A N -0.080 122.542 122.820 -0.330 0.000 1.902 374 A HA -0.234 4.140 4.320 0.088 0.000 0.217 374 A C 2.113 179.604 177.584 -0.155 0.000 1.181 374 A CA 1.983 53.820 52.037 -0.335 0.000 0.623 374 A CB -1.440 17.278 19.000 -0.470 0.000 0.818 374 A HN 0.495 nan 8.150 nan 0.000 0.443 375 Q N 0.000 119.719 119.800 -0.136 0.000 2.030 375 Q HA -0.241 4.152 4.340 0.088 0.000 0.204 375 Q C 1.842 177.807 176.000 -0.058 0.000 0.986 375 Q CA 2.298 58.064 55.803 -0.061 0.000 0.843 375 Q CB -0.833 27.875 28.738 -0.050 0.000 0.904 375 Q HN 0.793 nan 8.270 nan 0.000 0.420 376 D N -0.591 119.744 120.400 -0.107 0.000 2.117 376 D HA -0.078 4.615 4.640 0.088 0.000 0.197 376 D C 1.598 177.818 176.300 -0.133 0.000 0.987 376 D CA 1.438 55.376 54.000 -0.102 0.000 0.829 376 D CB -0.622 40.122 40.800 -0.094 0.000 0.961 376 D HN 0.524 nan 8.370 nan 0.000 0.460 377 F N 2.032 121.737 119.950 -0.408 0.000 2.069 377 F HA -0.153 4.427 4.527 0.087 0.000 0.298 377 F C 2.308 178.055 175.800 -0.088 0.000 1.113 377 F CA 1.501 59.295 58.000 -0.343 0.000 1.214 377 F CB -0.053 38.564 39.000 -0.639 0.000 0.978 377 F HN -0.230 nan 8.300 nan 0.000 0.474 378 R N 0.231 120.683 120.500 -0.081 0.000 2.096 378 R HA -0.103 4.290 4.340 0.088 0.000 0.235 378 R C 2.470 178.837 176.300 0.112 0.000 1.127 378 R CA 1.091 57.237 56.100 0.077 0.000 0.968 378 R CB -0.820 29.685 30.300 0.341 0.000 0.861 378 R HN 0.447 nan 8.270 nan 0.000 0.440 379 A N 1.080 123.919 122.820 0.032 0.000 1.933 379 A HA -0.200 4.173 4.320 0.088 0.000 0.218 379 A C 2.114 179.702 177.584 0.006 0.000 1.175 379 A CA 1.477 53.540 52.037 0.044 0.000 0.628 379 A CB -0.369 18.639 19.000 0.012 0.000 0.814 379 A HN 0.257 nan 8.150 nan 0.000 0.444 380 R N -2.755 117.699 120.500 -0.077 0.000 2.112 380 R HA -0.020 4.373 4.340 0.088 0.000 0.216 380 R C 2.019 178.231 176.300 -0.146 0.000 1.080 380 R CA 0.970 57.026 56.100 -0.073 0.000 0.996 380 R CB -0.403 29.873 30.300 -0.040 0.000 0.902 380 R HN 0.496 nan 8.270 nan 0.000 0.449 381 Y N 0.306 120.285 120.300 -0.535 0.000 2.274 381 Y HA -0.025 4.577 4.550 0.087 0.000 0.290 381 Y C -0.088 175.388 175.900 -0.706 0.000 1.145 381 Y CA 1.147 58.798 58.100 -0.748 0.000 1.203 381 Y CB 0.070 37.696 38.460 -1.390 0.000 0.984 381 Y HN -0.073 nan 8.280 nan 0.000 0.533 382 F N 0.000 119.920 119.950 -0.051 0.000 2.286 382 F HA 0.000 4.581 4.527 0.090 0.000 0.279 382 F CA 0.000 57.972 58.000 -0.047 0.000 1.383 382 F CB 0.000 39.007 39.000 0.011 0.000 1.145 382 F HN 0.000 nan 8.300 nan 0.000 0.574